USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 hydrogens (19 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: P 4 M3L H2 : P 4 M3L N : P 3 THR C :(H bumps) USER MOD NoAdj-H: P 4 M3L H : P 4 M3L N : P 3 THR C :(H bumps) USER MOD NoAdj-H: A 893 HIS HD1 : A 893 HIS ND1 : A 941 ZNZN :(H bumps) USER MOD Set 1.1: P 5 GLN : amide:sc= 1.27 K(o=2.2,f=-0.49) USER MOD Set 1.2: P 10 SER OG : rot 117:sc= 0.949 USER MOD Single : A 851 SER OG : rot 180:sc= 0 USER MOD Single : A 852 HIS : no HD1:sc= 0.0951 K(o=0.095,f=-0.86) USER MOD Single : A 853 MET CE :methyl 169:sc= -0.0158 (180deg=-0.217) USER MOD Single : A 855 MET CE :methyl 171:sc= -0.0044 (180deg=-0.138) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.26) USER MOD Single : A 866 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 874 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.13) USER MOD Single : A 875 LYS NZ :NH3+ -162:sc= -0.0545 (180deg=-0.369) USER MOD Single : A 880 SER OG : rot 14:sc= 0.528 USER MOD Single : A 882 MET CE :methyl -125:sc= -0.0409 (180deg=-0.16) USER MOD Single : A 892 TYR OH : rot 180:sc= -1 USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 907 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 913 LYS NZ :NH3+ -171:sc= 2.05 (180deg=1.9) USER MOD Single : A 916 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 917 LYS NZ :NH3+ 159:sc= 1.22 (180deg=1.06) USER MOD Single : A 919 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 920 LYS NZ :NH3+ 167:sc= -1.31! (180deg=-2.12!) USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 924 HIS : no HE2:sc= 1.04 K(o=1,f=-3.3!) USER MOD Single : P 1 ALA N :NH3+ -126:sc= 2.31 (180deg=0.338) USER MOD Single : P 3 THR OG1 : rot -123:sc= -0.0617 USER MOD Single : P 6 THR OG1 : rot 142:sc= -0.948! USER MOD Single : P 9 LYS NZ :NH3+ -171:sc= -0.0148 (180deg=-0.135) USER MOD Single : P 11 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 13.143 5.767 4.419 1.00 0.00 N ATOM 2 CA ALA P 1 12.450 5.459 3.181 1.00 0.00 C ATOM 3 C ALA P 1 11.177 4.783 3.528 1.00 0.00 C ATOM 4 O ALA P 1 11.119 3.563 3.699 1.00 0.00 O ATOM 5 CB ALA P 1 13.274 4.560 2.267 1.00 0.00 C ATOM 0 H1 ALA P 1 13.374 6.781 4.444 1.00 0.00 H new ATOM 0 H2 ALA P 1 12.532 5.531 5.227 1.00 0.00 H new ATOM 0 H3 ALA P 1 14.020 5.210 4.474 1.00 0.00 H new ATOM 0 HA ALA P 1 12.273 6.388 2.639 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.714 4.358 1.354 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.211 5.058 2.015 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.488 3.621 2.777 1.00 0.00 H new ATOM 13 N ARG P 2 10.168 5.568 3.699 1.00 0.00 N ATOM 14 CA ARG P 2 8.906 5.065 4.082 1.00 0.00 C ATOM 15 C ARG P 2 8.168 4.631 2.855 1.00 0.00 C ATOM 16 O ARG P 2 7.845 5.440 1.998 1.00 0.00 O ATOM 17 CB ARG P 2 8.129 6.112 4.857 1.00 0.00 C ATOM 18 CG ARG P 2 6.943 5.547 5.575 1.00 0.00 C ATOM 19 CD ARG P 2 6.337 6.563 6.527 1.00 0.00 C ATOM 20 NE ARG P 2 7.257 6.852 7.635 1.00 0.00 N ATOM 21 CZ ARG P 2 7.391 8.030 8.268 1.00 0.00 C ATOM 22 NH1 ARG P 2 6.592 9.057 7.967 1.00 0.00 N ATOM 23 NH2 ARG P 2 8.305 8.162 9.231 1.00 0.00 N ATOM 0 H ARG P 2 10.202 6.580 3.575 1.00 0.00 H new ATOM 0 HA ARG P 2 9.033 4.206 4.741 1.00 0.00 H new ATOM 0 HB2 ARG P 2 8.792 6.587 5.580 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.795 6.890 4.171 1.00 0.00 H new ATOM 0 HG2 ARG P 2 6.192 5.233 4.850 1.00 0.00 H new ATOM 0 HG3 ARG P 2 7.241 4.658 6.131 1.00 0.00 H new ATOM 0 HD2 ARG P 2 6.109 7.483 5.988 1.00 0.00 H new ATOM 0 HD3 ARG P 2 5.394 6.182 6.921 1.00 0.00 H new ATOM 0 HE ARG P 2 7.850 6.086 7.954 1.00 0.00 H new ATOM 0 HH11 ARG P 2 5.873 8.951 7.252 1.00 0.00 H new ATOM 0 HH12 ARG P 2 6.701 9.947 8.453 1.00 0.00 H new ATOM 0 HH21 ARG P 2 8.898 7.371 9.483 1.00 0.00 H new ATOM 0 HH22 ARG P 2 8.411 9.054 9.715 1.00 0.00 H new ATOM 37 N THR P 3 7.983 3.367 2.734 1.00 0.00 N ATOM 38 CA THR P 3 7.309 2.808 1.622 1.00 0.00 C ATOM 39 C THR P 3 6.013 2.171 2.045 1.00 0.00 C ATOM 40 O THR P 3 5.980 1.374 2.992 1.00 0.00 O ATOM 41 CB THR P 3 8.213 1.798 0.932 1.00 0.00 C ATOM 42 OG1 THR P 3 8.919 1.033 1.941 1.00 0.00 O ATOM 43 CG2 THR P 3 9.194 2.515 0.036 1.00 0.00 C ATOM 0 H THR P 3 8.302 2.680 3.418 1.00 0.00 H new ATOM 0 HA THR P 3 7.068 3.604 0.917 1.00 0.00 H new ATOM 0 HB THR P 3 7.615 1.124 0.319 1.00 0.00 H new ATOM 0 HG1 THR P 3 9.885 1.122 1.802 1.00 0.00 H new ATOM 0 HG21 THR P 3 9.838 1.786 -0.455 1.00 0.00 H new ATOM 0 HG22 THR P 3 8.650 3.084 -0.718 1.00 0.00 H new ATOM 0 HG23 THR P 3 9.803 3.194 0.633 1.00 0.00 H new HETATM 51 N M3L P 4 4.950 2.546 1.381 1.00 0.00 N HETATM 52 CA M3L P 4 3.638 2.030 1.674 1.00 0.00 C HETATM 53 CB M3L P 4 2.999 2.772 2.865 1.00 0.00 C HETATM 54 CG M3L P 4 3.263 4.276 2.892 1.00 0.00 C HETATM 55 CD M3L P 4 1.980 5.078 2.780 1.00 0.00 C HETATM 56 CE M3L P 4 1.865 5.768 1.408 1.00 0.00 C HETATM 57 NZ M3L P 4 0.847 6.903 1.450 1.00 0.00 N HETATM 58 C M3L P 4 2.765 2.168 0.456 1.00 0.00 C HETATM 59 O M3L P 4 3.001 3.048 -0.390 1.00 0.00 O HETATM 60 CM1 M3L P 4 -0.504 6.365 1.886 1.00 0.00 C HETATM 61 CM2 M3L P 4 1.304 7.987 2.423 1.00 0.00 C HETATM 62 CM3 M3L P 4 0.708 7.500 0.058 1.00 0.00 C HETATM 0 HM33 M3L P 4 1.673 7.886 -0.270 1.00 0.00 H new HETATM 0 HM32 M3L P 4 0.370 6.730 -0.636 1.00 0.00 H new HETATM 0 HM31 M3L P 4 -0.019 8.312 0.081 1.00 0.00 H new HETATM 0 HM23 M3L P 4 1.404 7.561 3.421 1.00 0.00 H new HETATM 0 HM22 M3L P 4 2.266 8.384 2.100 1.00 0.00 H new HETATM 0 HM21 M3L P 4 0.568 8.791 2.443 1.00 0.00 H new HETATM 0 HM13 M3L P 4 -0.839 5.606 1.179 1.00 0.00 H new HETATM 0 HM12 M3L P 4 -0.416 5.922 2.878 1.00 0.00 H new HETATM 0 HM11 M3L P 4 -1.228 7.179 1.915 1.00 0.00 H new HETATM 0 HG3 M3L P 4 3.775 4.538 3.818 1.00 0.00 H new HETATM 0 HG2 M3L P 4 3.930 4.542 2.072 1.00 0.00 H new HETATM 0 HE3 M3L P 4 2.838 6.159 1.111 1.00 0.00 H new HETATM 0 HE2 M3L P 4 1.570 5.038 0.654 1.00 0.00 H new HETATM 0 HD3 M3L P 4 1.124 4.420 2.931 1.00 0.00 H new HETATM 0 HD2 M3L P 4 1.948 5.828 3.570 1.00 0.00 H new HETATM 0 HB3 M3L P 4 1.922 2.606 2.844 1.00 0.00 H new HETATM 0 HB2 M3L P 4 3.371 2.334 3.791 1.00 0.00 H new HETATM 0 HA M3L P 4 3.732 0.979 1.945 1.00 0.00 H new ATOM 82 N GLN P 5 1.797 1.313 0.357 1.00 0.00 N ATOM 83 CA GLN P 5 0.861 1.319 -0.722 1.00 0.00 C ATOM 84 C GLN P 5 -0.502 1.596 -0.137 1.00 0.00 C ATOM 85 O GLN P 5 -0.917 0.898 0.793 1.00 0.00 O ATOM 86 CB GLN P 5 0.849 -0.053 -1.356 1.00 0.00 C ATOM 87 CG GLN P 5 0.178 -0.082 -2.689 1.00 0.00 C ATOM 88 CD GLN P 5 0.033 -1.457 -3.246 1.00 0.00 C ATOM 89 OE1 GLN P 5 0.821 -2.360 -2.958 1.00 0.00 O ATOM 90 NE2 GLN P 5 -0.932 -1.625 -4.078 1.00 0.00 N ATOM 0 H GLN P 5 1.632 0.574 1.040 1.00 0.00 H new ATOM 0 HA GLN P 5 1.125 2.069 -1.467 1.00 0.00 H new ATOM 0 HB2 GLN P 5 1.875 -0.404 -1.466 1.00 0.00 H new ATOM 0 HB3 GLN P 5 0.344 -0.750 -0.687 1.00 0.00 H new ATOM 0 HG2 GLN P 5 -0.809 0.373 -2.601 1.00 0.00 H new ATOM 0 HG3 GLN P 5 0.749 0.528 -3.389 1.00 0.00 H new ATOM 0 HE21 GLN P 5 -1.563 -0.852 -4.290 1.00 0.00 H new ATOM 0 HE22 GLN P 5 -1.067 -2.531 -4.526 1.00 0.00 H new ATOM 99 N THR P 6 -1.186 2.597 -0.627 1.00 0.00 N ATOM 100 CA THR P 6 -2.514 2.903 -0.123 1.00 0.00 C ATOM 101 C THR P 6 -3.512 1.932 -0.761 1.00 0.00 C ATOM 102 O THR P 6 -4.230 2.285 -1.694 1.00 0.00 O ATOM 103 CB THR P 6 -2.914 4.325 -0.506 1.00 0.00 C ATOM 104 OG1 THR P 6 -1.732 5.137 -0.607 1.00 0.00 O ATOM 105 CG2 THR P 6 -3.849 4.921 0.544 1.00 0.00 C ATOM 0 H THR P 6 -0.855 3.214 -1.369 1.00 0.00 H new ATOM 0 HA THR P 6 -2.514 2.810 0.963 1.00 0.00 H new ATOM 0 HB THR P 6 -3.434 4.299 -1.463 1.00 0.00 H new ATOM 0 HG1 THR P 6 -1.824 5.755 -1.362 1.00 0.00 H new ATOM 0 HG21 THR P 6 -4.123 5.935 0.253 1.00 0.00 H new ATOM 0 HG22 THR P 6 -4.748 4.310 0.620 1.00 0.00 H new ATOM 0 HG23 THR P 6 -3.344 4.944 1.510 1.00 0.00 H new ATOM 113 N ALA P 7 -3.531 0.718 -0.303 1.00 0.00 N ATOM 114 CA ALA P 7 -4.305 -0.282 -0.965 1.00 0.00 C ATOM 115 C ALA P 7 -5.241 -0.998 -0.043 1.00 0.00 C ATOM 116 O ALA P 7 -4.908 -1.307 1.112 1.00 0.00 O ATOM 117 CB ALA P 7 -3.392 -1.275 -1.660 1.00 0.00 C ATOM 0 H ALA P 7 -3.022 0.399 0.521 1.00 0.00 H new ATOM 0 HA ALA P 7 -4.921 0.231 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA P 7 -3.994 -2.033 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA P 7 -2.779 -0.753 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA P 7 -2.746 -1.753 -0.923 1.00 0.00 H new ATOM 123 N ARG P 8 -6.410 -1.258 -0.551 1.00 0.00 N ATOM 124 CA ARG P 8 -7.400 -2.050 0.140 1.00 0.00 C ATOM 125 C ARG P 8 -7.345 -3.471 -0.414 1.00 0.00 C ATOM 126 O ARG P 8 -8.006 -4.386 0.068 1.00 0.00 O ATOM 127 CB ARG P 8 -8.791 -1.415 0.002 1.00 0.00 C ATOM 128 CG ARG P 8 -9.251 -1.215 -1.429 1.00 0.00 C ATOM 129 CD ARG P 8 -10.537 -0.415 -1.492 1.00 0.00 C ATOM 130 NE ARG P 8 -10.365 0.957 -0.976 1.00 0.00 N ATOM 131 CZ ARG P 8 -10.645 2.078 -1.661 1.00 0.00 C ATOM 132 NH1 ARG P 8 -11.060 2.009 -2.917 1.00 0.00 N ATOM 133 NH2 ARG P 8 -10.494 3.258 -1.088 1.00 0.00 N ATOM 0 H ARG P 8 -6.712 -0.925 -1.467 1.00 0.00 H new ATOM 0 HA ARG P 8 -7.189 -2.086 1.209 1.00 0.00 H new ATOM 0 HB2 ARG P 8 -9.516 -2.043 0.519 1.00 0.00 H new ATOM 0 HB3 ARG P 8 -8.788 -0.449 0.508 1.00 0.00 H new ATOM 0 HG2 ARG P 8 -8.473 -0.701 -1.994 1.00 0.00 H new ATOM 0 HG3 ARG P 8 -9.401 -2.185 -1.903 1.00 0.00 H new ATOM 0 HD2 ARG P 8 -10.886 -0.372 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG P 8 -11.309 -0.924 -0.915 1.00 0.00 H new ATOM 0 HE ARG P 8 -10.006 1.062 -0.027 1.00 0.00 H new ATOM 0 HH11 ARG P 8 -11.169 1.101 -3.369 1.00 0.00 H new ATOM 0 HH12 ARG P 8 -11.271 2.864 -3.432 1.00 0.00 H new ATOM 0 HH21 ARG P 8 -10.165 3.319 -0.125 1.00 0.00 H new ATOM 0 HH22 ARG P 8 -10.707 4.109 -1.609 1.00 0.00 H new ATOM 147 N LYS P 9 -6.532 -3.622 -1.445 1.00 0.00 N ATOM 148 CA LYS P 9 -6.238 -4.884 -2.058 1.00 0.00 C ATOM 149 C LYS P 9 -4.855 -4.781 -2.667 1.00 0.00 C ATOM 150 O LYS P 9 -4.604 -3.901 -3.492 1.00 0.00 O ATOM 151 CB LYS P 9 -7.266 -5.230 -3.147 1.00 0.00 C ATOM 152 CG LYS P 9 -7.043 -6.601 -3.792 1.00 0.00 C ATOM 153 CD LYS P 9 -8.076 -6.913 -4.874 1.00 0.00 C ATOM 154 CE LYS P 9 -9.499 -6.966 -4.324 1.00 0.00 C ATOM 155 NZ LYS P 9 -9.663 -7.990 -3.268 1.00 0.00 N ATOM 0 H LYS P 9 -6.049 -2.839 -1.884 1.00 0.00 H new ATOM 0 HA LYS P 9 -6.281 -5.676 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS P 9 -8.265 -5.201 -2.713 1.00 0.00 H new ATOM 0 HB3 LYS P 9 -7.233 -4.464 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS P 9 -6.044 -6.636 -4.227 1.00 0.00 H new ATOM 0 HG3 LYS P 9 -7.083 -7.372 -3.023 1.00 0.00 H new ATOM 0 HD2 LYS P 9 -8.020 -6.155 -5.655 1.00 0.00 H new ATOM 0 HD3 LYS P 9 -7.834 -7.869 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS P 9 -9.766 -5.989 -3.922 1.00 0.00 H new ATOM 0 HE3 LYS P 9 -10.192 -7.175 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS P 9 -10.672 -8.092 -3.037 1.00 0.00 H new ATOM 0 HZ2 LYS P 9 -9.292 -8.901 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS P 9 -9.140 -7.698 -2.417 1.00 0.00 H new ATOM 169 N SER P 10 -3.960 -5.603 -2.217 1.00 0.00 N ATOM 170 CA SER P 10 -2.626 -5.642 -2.733 1.00 0.00 C ATOM 171 C SER P 10 -2.231 -7.102 -2.869 1.00 0.00 C ATOM 172 O SER P 10 -2.739 -7.956 -2.123 1.00 0.00 O ATOM 173 CB SER P 10 -1.665 -4.886 -1.785 1.00 0.00 C ATOM 174 OG SER P 10 -0.341 -4.841 -2.299 1.00 0.00 O ATOM 0 H SER P 10 -4.137 -6.275 -1.471 1.00 0.00 H new ATOM 0 HA SER P 10 -2.570 -5.152 -3.705 1.00 0.00 H new ATOM 0 HB2 SER P 10 -2.030 -3.870 -1.632 1.00 0.00 H new ATOM 0 HB3 SER P 10 -1.660 -5.373 -0.810 1.00 0.00 H new ATOM 0 HG SER P 10 -0.085 -3.909 -2.462 1.00 0.00 H new ATOM 180 N THR P 11 -1.386 -7.404 -3.820 1.00 0.00 N ATOM 181 CA THR P 11 -0.940 -8.755 -4.040 1.00 0.00 C ATOM 182 C THR P 11 0.421 -8.946 -3.365 1.00 0.00 C ATOM 183 O THR P 11 1.436 -8.419 -3.822 1.00 0.00 O ATOM 184 CB THR P 11 -0.829 -9.041 -5.556 1.00 0.00 C ATOM 185 OG1 THR P 11 -2.064 -8.650 -6.199 1.00 0.00 O ATOM 186 CG2 THR P 11 -0.581 -10.525 -5.815 1.00 0.00 C ATOM 0 H THR P 11 -0.988 -6.720 -4.464 1.00 0.00 H new ATOM 0 HA THR P 11 -1.661 -9.452 -3.612 1.00 0.00 H new ATOM 0 HB THR P 11 0.010 -8.473 -5.958 1.00 0.00 H new ATOM 0 HG1 THR P 11 -2.002 -8.826 -7.161 1.00 0.00 H new ATOM 0 HG21 THR P 11 -0.507 -10.700 -6.888 1.00 0.00 H new ATOM 0 HG22 THR P 11 0.348 -10.828 -5.333 1.00 0.00 H new ATOM 0 HG23 THR P 11 -1.407 -11.108 -5.409 1.00 0.00 H new ATOM 194 N GLY P 12 0.427 -9.624 -2.249 1.00 0.00 N ATOM 195 CA GLY P 12 1.655 -9.841 -1.532 1.00 0.00 C ATOM 196 C GLY P 12 1.901 -8.753 -0.519 1.00 0.00 C ATOM 197 O GLY P 12 1.916 -9.006 0.688 1.00 0.00 O ATOM 0 H GLY P 12 -0.401 -10.034 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY P 12 1.618 -10.807 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY P 12 2.487 -9.880 -2.236 1.00 0.00 H new ATOM 201 N GLY P 13 2.070 -7.554 -0.998 1.00 0.00 N ATOM 202 CA GLY P 13 2.287 -6.433 -0.138 1.00 0.00 C ATOM 203 C GLY P 13 3.654 -5.857 -0.353 1.00 0.00 C ATOM 204 O GLY P 13 4.609 -6.285 0.329 1.00 0.00 O ATOM 205 OXT GLY P 13 3.803 -4.995 -1.235 1.00 0.00 O ATOM 0 H GLY P 13 2.061 -7.329 -1.993 1.00 0.00 H new ATOM 0 HA2 GLY P 13 1.532 -5.671 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY P 13 2.175 -6.739 0.902 1.00 0.00 H new TER 209 GLY P 13 ATOM 210 N GLY A 850 -10.954 29.740 4.629 1.00 0.00 N ATOM 211 CA GLY A 850 -9.518 29.904 4.850 1.00 0.00 C ATOM 212 C GLY A 850 -8.735 29.283 3.725 1.00 0.00 C ATOM 213 O GLY A 850 -9.115 28.227 3.225 1.00 0.00 O ATOM 0 HA2 GLY A 850 -9.275 30.964 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 850 -9.235 29.442 5.796 1.00 0.00 H new ATOM 219 N SER A 851 -7.650 29.920 3.321 1.00 0.00 N ATOM 220 CA SER A 851 -6.830 29.424 2.233 1.00 0.00 C ATOM 221 C SER A 851 -5.972 28.247 2.676 1.00 0.00 C ATOM 222 O SER A 851 -5.437 27.514 1.840 1.00 0.00 O ATOM 223 CB SER A 851 -5.962 30.547 1.669 1.00 0.00 C ATOM 224 OG SER A 851 -6.774 31.610 1.182 1.00 0.00 O ATOM 0 H SER A 851 -7.315 30.790 3.735 1.00 0.00 H new ATOM 0 HA SER A 851 -7.494 29.067 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 851 -5.291 30.920 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 851 -5.337 30.161 0.864 1.00 0.00 H new ATOM 0 HG SER A 851 -6.202 32.322 0.826 1.00 0.00 H new ATOM 230 N HIS A 852 -5.847 28.059 3.984 1.00 0.00 N ATOM 231 CA HIS A 852 -5.083 26.956 4.521 1.00 0.00 C ATOM 232 C HIS A 852 -5.780 25.622 4.263 1.00 0.00 C ATOM 233 O HIS A 852 -6.752 25.246 4.934 1.00 0.00 O ATOM 234 CB HIS A 852 -4.714 27.163 6.015 1.00 0.00 C ATOM 235 CG HIS A 852 -5.865 27.397 6.957 1.00 0.00 C ATOM 236 ND1 HIS A 852 -6.451 28.631 7.065 1.00 0.00 N ATOM 237 CD2 HIS A 852 -6.466 26.543 7.812 1.00 0.00 C ATOM 238 CE1 HIS A 852 -7.394 28.507 7.982 1.00 0.00 C ATOM 239 NE2 HIS A 852 -7.441 27.260 8.464 1.00 0.00 N ATOM 0 H HIS A 852 -6.269 28.663 4.689 1.00 0.00 H new ATOM 0 HA HIS A 852 -4.134 26.927 3.986 1.00 0.00 H new ATOM 0 HB2 HIS A 852 -4.164 26.286 6.357 1.00 0.00 H new ATOM 0 HB3 HIS A 852 -4.035 28.013 6.086 1.00 0.00 H new ATOM 0 HD2 HIS A 852 -6.227 25.500 7.956 1.00 0.00 H new ATOM 0 HE1 HIS A 852 -8.043 29.309 8.301 1.00 0.00 H new ATOM 0 HE2 HIS A 852 -8.078 26.908 9.179 1.00 0.00 H new ATOM 247 N MET A 853 -5.323 24.957 3.244 1.00 0.00 N ATOM 248 CA MET A 853 -5.839 23.678 2.841 1.00 0.00 C ATOM 249 C MET A 853 -4.669 22.733 2.770 1.00 0.00 C ATOM 250 O MET A 853 -4.446 21.940 3.687 1.00 0.00 O ATOM 251 CB MET A 853 -6.536 23.782 1.467 1.00 0.00 C ATOM 252 CG MET A 853 -7.743 24.715 1.441 1.00 0.00 C ATOM 253 SD MET A 853 -8.353 25.037 -0.233 1.00 0.00 S ATOM 254 CE MET A 853 -8.781 23.386 -0.788 1.00 0.00 C ATOM 0 H MET A 853 -4.563 25.295 2.654 1.00 0.00 H new ATOM 0 HA MET A 853 -6.582 23.320 3.553 1.00 0.00 H new ATOM 0 HB2 MET A 853 -5.810 24.126 0.730 1.00 0.00 H new ATOM 0 HB3 MET A 853 -6.855 22.786 1.159 1.00 0.00 H new ATOM 0 HG2 MET A 853 -8.545 24.279 2.036 1.00 0.00 H new ATOM 0 HG3 MET A 853 -7.474 25.661 1.912 1.00 0.00 H new ATOM 0 HE1 MET A 853 -9.346 23.450 -1.718 1.00 0.00 H new ATOM 0 HE2 MET A 853 -7.870 22.811 -0.956 1.00 0.00 H new ATOM 0 HE3 MET A 853 -9.387 22.892 -0.028 1.00 0.00 H new ATOM 264 N ALA A 854 -3.860 22.901 1.732 1.00 0.00 N ATOM 265 CA ALA A 854 -2.651 22.125 1.505 1.00 0.00 C ATOM 266 C ALA A 854 -1.993 22.564 0.222 1.00 0.00 C ATOM 267 O ALA A 854 -2.311 22.053 -0.860 1.00 0.00 O ATOM 268 CB ALA A 854 -2.905 20.612 1.462 1.00 0.00 C ATOM 0 H ALA A 854 -4.032 23.598 1.008 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.994 22.314 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -1.964 20.090 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -3.332 20.288 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -3.600 20.383 0.655 1.00 0.00 H new ATOM 274 N MET A 855 -1.130 23.544 0.315 1.00 0.00 N ATOM 275 CA MET A 855 -0.374 23.983 -0.830 1.00 0.00 C ATOM 276 C MET A 855 0.854 23.116 -0.952 1.00 0.00 C ATOM 277 O MET A 855 1.950 23.462 -0.503 1.00 0.00 O ATOM 278 CB MET A 855 -0.030 25.485 -0.779 1.00 0.00 C ATOM 279 CG MET A 855 0.844 25.969 -1.941 1.00 0.00 C ATOM 280 SD MET A 855 0.162 25.576 -3.576 1.00 0.00 S ATOM 281 CE MET A 855 -1.373 26.506 -3.551 1.00 0.00 C ATOM 0 H MET A 855 -0.933 24.055 1.176 1.00 0.00 H new ATOM 0 HA MET A 855 -0.987 23.870 -1.724 1.00 0.00 H new ATOM 0 HB2 MET A 855 -0.957 26.059 -0.773 1.00 0.00 H new ATOM 0 HB3 MET A 855 0.482 25.697 0.159 1.00 0.00 H new ATOM 0 HG2 MET A 855 0.975 27.048 -1.861 1.00 0.00 H new ATOM 0 HG3 MET A 855 1.833 25.520 -1.852 1.00 0.00 H new ATOM 0 HE1 MET A 855 -1.823 26.492 -4.544 1.00 0.00 H new ATOM 0 HE2 MET A 855 -2.060 26.055 -2.835 1.00 0.00 H new ATOM 0 HE3 MET A 855 -1.169 27.536 -3.259 1.00 0.00 H new ATOM 291 N ALA A 856 0.612 21.944 -1.451 1.00 0.00 N ATOM 292 CA ALA A 856 1.585 20.919 -1.635 1.00 0.00 C ATOM 293 C ALA A 856 0.928 19.855 -2.467 1.00 0.00 C ATOM 294 O ALA A 856 -0.246 20.006 -2.861 1.00 0.00 O ATOM 295 CB ALA A 856 2.024 20.334 -0.283 1.00 0.00 C ATOM 0 H ALA A 856 -0.320 21.664 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 856 2.477 21.314 -2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 856 2.767 19.554 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 856 2.457 21.123 0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 856 1.160 19.910 0.228 1.00 0.00 H new ATOM 301 N TYR A 857 1.614 18.791 -2.707 1.00 0.00 N ATOM 302 CA TYR A 857 1.089 17.721 -3.494 1.00 0.00 C ATOM 303 C TYR A 857 0.316 16.723 -2.651 1.00 0.00 C ATOM 304 O TYR A 857 0.716 15.576 -2.449 1.00 0.00 O ATOM 305 CB TYR A 857 2.171 17.079 -4.320 1.00 0.00 C ATOM 306 CG TYR A 857 2.635 17.948 -5.470 1.00 0.00 C ATOM 307 CD1 TYR A 857 1.972 17.920 -6.688 1.00 0.00 C ATOM 308 CD2 TYR A 857 3.712 18.813 -5.332 1.00 0.00 C ATOM 309 CE1 TYR A 857 2.363 18.725 -7.732 1.00 0.00 C ATOM 310 CE2 TYR A 857 4.114 19.618 -6.376 1.00 0.00 C ATOM 311 CZ TYR A 857 3.433 19.570 -7.573 1.00 0.00 C ATOM 312 OH TYR A 857 3.812 20.380 -8.607 1.00 0.00 O ATOM 0 H TYR A 857 2.561 18.635 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 857 0.365 18.141 -4.193 1.00 0.00 H new ATOM 0 HB2 TYR A 857 3.022 16.851 -3.679 1.00 0.00 H new ATOM 0 HB3 TYR A 857 1.805 16.131 -4.714 1.00 0.00 H new ATOM 0 HD1 TYR A 857 1.133 17.253 -6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 857 4.243 18.856 -4.392 1.00 0.00 H new ATOM 0 HE1 TYR A 857 1.831 18.693 -8.672 1.00 0.00 H new ATOM 0 HE2 TYR A 857 4.957 20.282 -6.257 1.00 0.00 H new ATOM 0 HH TYR A 857 4.585 20.918 -8.335 1.00 0.00 H new ATOM 322 N VAL A 858 -0.760 17.221 -2.111 1.00 0.00 N ATOM 323 CA VAL A 858 -1.704 16.477 -1.271 1.00 0.00 C ATOM 324 C VAL A 858 -3.114 17.036 -1.527 1.00 0.00 C ATOM 325 O VAL A 858 -3.289 18.266 -1.645 1.00 0.00 O ATOM 326 CB VAL A 858 -1.417 16.649 0.275 1.00 0.00 C ATOM 327 CG1 VAL A 858 -2.313 15.736 1.114 1.00 0.00 C ATOM 328 CG2 VAL A 858 0.047 16.426 0.635 1.00 0.00 C ATOM 0 H VAL A 858 -1.030 18.196 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 858 -1.606 15.422 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 858 -1.653 17.687 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -2.090 15.879 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -3.359 15.981 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -2.130 14.697 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 858 0.182 16.558 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 858 0.341 15.415 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 858 0.667 17.146 0.101 1.00 0.00 H new ATOM 338 N ILE A 859 -4.088 16.166 -1.649 1.00 0.00 N ATOM 339 CA ILE A 859 -5.492 16.556 -1.769 1.00 0.00 C ATOM 340 C ILE A 859 -6.297 15.653 -0.867 1.00 0.00 C ATOM 341 O ILE A 859 -5.758 14.693 -0.335 1.00 0.00 O ATOM 342 CB ILE A 859 -6.062 16.450 -3.226 1.00 0.00 C ATOM 343 CG1 ILE A 859 -6.003 15.002 -3.750 1.00 0.00 C ATOM 344 CG2 ILE A 859 -5.355 17.412 -4.168 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.606 14.808 -5.131 1.00 0.00 C ATOM 0 H ILE A 859 -3.938 15.157 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 859 -5.563 17.607 -1.488 1.00 0.00 H new ATOM 0 HB ILE A 859 -7.112 16.740 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.962 14.679 -3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.523 14.352 -3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -5.773 17.314 -5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -5.494 18.434 -3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -4.291 17.179 -4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -6.522 13.761 -5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.657 15.096 -5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -6.072 15.428 -5.851 1.00 0.00 H new ATOM 357 N ARG A 860 -7.545 15.947 -0.672 1.00 0.00 N ATOM 358 CA ARG A 860 -8.389 15.073 0.113 1.00 0.00 C ATOM 359 C ARG A 860 -9.463 14.491 -0.773 1.00 0.00 C ATOM 360 O ARG A 860 -9.861 15.122 -1.764 1.00 0.00 O ATOM 361 CB ARG A 860 -9.000 15.786 1.338 1.00 0.00 C ATOM 362 CG ARG A 860 -9.850 17.009 1.023 1.00 0.00 C ATOM 363 CD ARG A 860 -10.476 17.574 2.289 1.00 0.00 C ATOM 364 NE ARG A 860 -11.188 18.839 2.045 1.00 0.00 N ATOM 365 CZ ARG A 860 -12.379 19.178 2.564 1.00 0.00 C ATOM 366 NH1 ARG A 860 -13.130 18.267 3.170 1.00 0.00 N ATOM 367 NH2 ARG A 860 -12.847 20.414 2.414 1.00 0.00 N ATOM 0 H ARG A 860 -8.008 16.778 -1.039 1.00 0.00 H new ATOM 0 HA ARG A 860 -7.770 14.269 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -9.612 15.070 1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -8.191 16.088 2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -9.235 17.771 0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -10.633 16.740 0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -11.170 16.844 2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -9.698 17.736 3.035 1.00 0.00 H new ATOM 0 HE ARG A 860 -10.738 19.516 1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -12.803 17.304 3.243 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -14.034 18.530 3.562 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -12.301 21.108 1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -13.752 20.668 2.810 1.00 0.00 H new ATOM 381 N ASP A 861 -9.895 13.290 -0.479 1.00 0.00 N ATOM 382 CA ASP A 861 -10.960 12.675 -1.257 1.00 0.00 C ATOM 383 C ASP A 861 -12.299 13.094 -0.652 1.00 0.00 C ATOM 384 O ASP A 861 -12.335 13.898 0.300 1.00 0.00 O ATOM 385 CB ASP A 861 -10.830 11.125 -1.303 1.00 0.00 C ATOM 386 CG ASP A 861 -11.451 10.404 -0.120 1.00 0.00 C ATOM 387 OD1 ASP A 861 -11.116 10.716 1.034 1.00 0.00 O ATOM 388 OD2 ASP A 861 -12.295 9.519 -0.338 1.00 0.00 O ATOM 0 H ASP A 861 -9.535 12.717 0.284 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.890 13.018 -2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -11.296 10.761 -2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -9.773 10.863 -1.357 1.00 0.00 H new ATOM 393 N GLU A 862 -13.378 12.560 -1.171 1.00 0.00 N ATOM 394 CA GLU A 862 -14.710 12.906 -0.710 1.00 0.00 C ATOM 395 C GLU A 862 -14.949 12.474 0.752 1.00 0.00 C ATOM 396 O GLU A 862 -15.748 13.095 1.466 1.00 0.00 O ATOM 397 CB GLU A 862 -15.748 12.300 -1.634 1.00 0.00 C ATOM 398 CG GLU A 862 -15.734 10.791 -1.665 1.00 0.00 C ATOM 399 CD GLU A 862 -16.647 10.245 -2.707 1.00 0.00 C ATOM 400 OE1 GLU A 862 -17.870 10.464 -2.620 1.00 0.00 O ATOM 401 OE2 GLU A 862 -16.151 9.622 -3.659 1.00 0.00 O ATOM 0 H GLU A 862 -13.363 11.873 -1.925 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.802 13.992 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.737 12.638 -1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -15.584 12.676 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -14.719 10.442 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -16.027 10.406 -0.688 1.00 0.00 H new ATOM 408 N TRP A 863 -14.264 11.426 1.197 1.00 0.00 N ATOM 409 CA TRP A 863 -14.385 10.983 2.568 1.00 0.00 C ATOM 410 C TRP A 863 -13.525 11.840 3.471 1.00 0.00 C ATOM 411 O TRP A 863 -13.888 12.113 4.621 1.00 0.00 O ATOM 412 CB TRP A 863 -14.032 9.500 2.730 1.00 0.00 C ATOM 413 CG TRP A 863 -14.855 8.559 1.885 1.00 0.00 C ATOM 414 CD1 TRP A 863 -14.390 7.509 1.157 1.00 0.00 C ATOM 415 CD2 TRP A 863 -16.278 8.595 1.663 1.00 0.00 C ATOM 416 NE1 TRP A 863 -15.431 6.867 0.532 1.00 0.00 N ATOM 417 CE2 TRP A 863 -16.593 7.522 0.811 1.00 0.00 C ATOM 418 CE3 TRP A 863 -17.305 9.420 2.104 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -17.892 7.258 0.399 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -18.592 9.163 1.692 1.00 0.00 C ATOM 421 CH2 TRP A 863 -18.875 8.088 0.846 1.00 0.00 C ATOM 0 H TRP A 863 -13.624 10.874 0.626 1.00 0.00 H new ATOM 0 HA TRP A 863 -15.429 11.095 2.859 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -12.979 9.362 2.483 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -14.152 9.225 3.778 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -13.352 7.221 1.081 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -15.348 6.033 -0.049 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -17.096 10.251 2.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -18.115 6.425 -0.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -19.396 9.802 2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -19.895 7.911 0.540 1.00 0.00 H new ATOM 432 N GLY A 864 -12.404 12.273 2.962 1.00 0.00 N ATOM 433 CA GLY A 864 -11.547 13.154 3.722 1.00 0.00 C ATOM 434 C GLY A 864 -10.193 12.555 3.996 1.00 0.00 C ATOM 435 O GLY A 864 -9.511 12.948 4.959 1.00 0.00 O ATOM 0 H GLY A 864 -12.061 12.035 2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -11.422 14.090 3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -12.030 13.397 4.668 1.00 0.00 H new ATOM 439 N ASN A 865 -9.804 11.616 3.177 1.00 0.00 N ATOM 440 CA ASN A 865 -8.510 10.975 3.293 1.00 0.00 C ATOM 441 C ASN A 865 -7.531 11.775 2.484 1.00 0.00 C ATOM 442 O ASN A 865 -7.915 12.383 1.477 1.00 0.00 O ATOM 443 CB ASN A 865 -8.532 9.540 2.720 1.00 0.00 C ATOM 444 CG ASN A 865 -9.566 8.617 3.341 1.00 0.00 C ATOM 445 OD1 ASN A 865 -9.306 7.948 4.347 1.00 0.00 O ATOM 446 ND2 ASN A 865 -10.733 8.557 2.747 1.00 0.00 N ATOM 0 H ASN A 865 -10.373 11.268 2.405 1.00 0.00 H new ATOM 0 HA ASN A 865 -8.238 10.925 4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -8.715 9.596 1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -7.545 9.097 2.852 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -11.461 7.944 3.114 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -10.913 9.124 1.918 1.00 0.00 H new ATOM 453 N GLN A 866 -6.303 11.810 2.912 1.00 0.00 N ATOM 454 CA GLN A 866 -5.269 12.471 2.168 1.00 0.00 C ATOM 455 C GLN A 866 -4.826 11.606 1.010 1.00 0.00 C ATOM 456 O GLN A 866 -4.520 10.423 1.173 1.00 0.00 O ATOM 457 CB GLN A 866 -4.072 12.837 3.052 1.00 0.00 C ATOM 458 CG GLN A 866 -4.285 14.051 3.945 1.00 0.00 C ATOM 459 CD GLN A 866 -3.135 14.280 4.920 1.00 0.00 C ATOM 460 OE1 GLN A 866 -2.501 13.342 5.397 1.00 0.00 O ATOM 461 NE2 GLN A 866 -2.808 15.524 5.165 1.00 0.00 N ATOM 0 H GLN A 866 -5.990 11.383 3.784 1.00 0.00 H new ATOM 0 HA GLN A 866 -5.684 13.402 1.782 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -3.827 11.980 3.680 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -3.209 13.021 2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -4.408 14.937 3.322 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -5.211 13.925 4.506 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -3.351 16.284 4.756 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -2.010 15.733 5.765 1.00 0.00 H new ATOM 470 N ILE A 867 -4.869 12.177 -0.143 1.00 0.00 N ATOM 471 CA ILE A 867 -4.392 11.557 -1.325 1.00 0.00 C ATOM 472 C ILE A 867 -3.162 12.313 -1.716 1.00 0.00 C ATOM 473 O ILE A 867 -3.222 13.530 -1.955 1.00 0.00 O ATOM 474 CB ILE A 867 -5.412 11.636 -2.497 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.767 10.992 -2.122 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.828 11.016 -3.777 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.684 9.537 -1.698 1.00 0.00 C ATOM 0 H ILE A 867 -5.247 13.113 -0.292 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.211 10.499 -1.133 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.605 12.690 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.215 11.567 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.439 11.069 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.561 11.084 -4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -3.925 11.555 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.584 9.969 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -7.682 9.172 -1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.269 8.944 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -6.042 9.449 -0.822 1.00 0.00 H new ATOM 489 N TRP A 868 -2.069 11.655 -1.741 1.00 0.00 N ATOM 490 CA TRP A 868 -0.854 12.298 -2.099 1.00 0.00 C ATOM 491 C TRP A 868 -0.680 12.308 -3.591 1.00 0.00 C ATOM 492 O TRP A 868 -1.106 11.382 -4.294 1.00 0.00 O ATOM 493 CB TRP A 868 0.346 11.693 -1.370 1.00 0.00 C ATOM 494 CG TRP A 868 0.375 12.041 0.096 1.00 0.00 C ATOM 495 CD1 TRP A 868 1.063 13.063 0.672 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.321 11.384 1.168 1.00 0.00 C ATOM 497 NE1 TRP A 868 0.840 13.082 2.030 1.00 0.00 N ATOM 498 CE2 TRP A 868 0.005 12.059 2.355 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.178 10.296 1.239 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -0.496 11.676 3.587 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -1.680 9.918 2.465 1.00 0.00 C ATOM 502 CH2 TRP A 868 -1.336 10.604 3.622 1.00 0.00 C ATOM 0 H TRP A 868 -1.984 10.664 -1.517 1.00 0.00 H new ATOM 0 HA TRP A 868 -0.910 13.337 -1.773 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.324 10.609 -1.481 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.265 12.043 -1.840 1.00 0.00 H new ATOM 0 HD1 TRP A 868 1.694 13.760 0.140 1.00 0.00 H new ATOM 0 HE1 TRP A 868 1.237 13.754 2.686 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.448 9.753 0.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -0.230 12.208 4.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.352 9.075 2.527 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.743 10.281 4.569 1.00 0.00 H new ATOM 513 N ILE A 869 -0.149 13.378 -4.074 1.00 0.00 N ATOM 514 CA ILE A 869 0.109 13.540 -5.471 1.00 0.00 C ATOM 515 C ILE A 869 1.612 13.438 -5.640 1.00 0.00 C ATOM 516 O ILE A 869 2.349 14.010 -4.846 1.00 0.00 O ATOM 517 CB ILE A 869 -0.366 14.942 -5.998 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.787 15.312 -5.505 1.00 0.00 C ATOM 519 CG2 ILE A 869 -0.299 15.010 -7.520 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.885 14.387 -5.959 1.00 0.00 C ATOM 0 H ILE A 869 0.124 14.179 -3.505 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.433 12.782 -6.036 1.00 0.00 H new ATOM 0 HB ILE A 869 0.323 15.677 -5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -1.781 15.336 -4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -2.021 16.321 -5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 869 -0.634 15.992 -7.855 1.00 0.00 H new ATOM 0 HG22 ILE A 869 0.728 14.845 -7.847 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.943 14.242 -7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.839 14.732 -5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.927 14.379 -7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.684 13.379 -5.597 1.00 0.00 H new ATOM 532 N CYS A 870 2.055 12.696 -6.617 1.00 0.00 N ATOM 533 CA CYS A 870 3.454 12.562 -6.875 1.00 0.00 C ATOM 534 C CYS A 870 3.912 13.793 -7.636 1.00 0.00 C ATOM 535 O CYS A 870 3.411 14.066 -8.735 1.00 0.00 O ATOM 536 CB CYS A 870 3.700 11.288 -7.709 1.00 0.00 C ATOM 537 SG CYS A 870 5.436 10.877 -8.121 1.00 0.00 S ATOM 0 H CYS A 870 1.455 12.170 -7.253 1.00 0.00 H new ATOM 0 HA CYS A 870 4.014 12.477 -5.944 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.272 10.443 -7.169 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.145 11.383 -8.642 1.00 0.00 H new ATOM 542 N PRO A 871 4.850 14.572 -7.082 1.00 0.00 N ATOM 543 CA PRO A 871 5.388 15.753 -7.756 1.00 0.00 C ATOM 544 C PRO A 871 6.248 15.366 -8.969 1.00 0.00 C ATOM 545 O PRO A 871 6.684 16.230 -9.749 1.00 0.00 O ATOM 546 CB PRO A 871 6.262 16.431 -6.686 1.00 0.00 C ATOM 547 CG PRO A 871 5.910 15.765 -5.397 1.00 0.00 C ATOM 548 CD PRO A 871 5.438 14.389 -5.744 1.00 0.00 C ATOM 0 HA PRO A 871 4.597 16.398 -8.138 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.322 16.311 -6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.065 17.502 -6.640 1.00 0.00 H new ATOM 0 HG2 PRO A 871 6.774 15.723 -4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.133 16.321 -4.873 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.259 13.672 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.704 14.020 -5.027 1.00 0.00 H new ATOM 556 N GLY A 872 6.482 14.072 -9.122 1.00 0.00 N ATOM 557 CA GLY A 872 7.286 13.576 -10.197 1.00 0.00 C ATOM 558 C GLY A 872 6.569 13.645 -11.518 1.00 0.00 C ATOM 559 O GLY A 872 7.082 14.225 -12.487 1.00 0.00 O ATOM 0 H GLY A 872 6.116 13.350 -8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.209 14.153 -10.255 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.568 12.543 -9.992 1.00 0.00 H new ATOM 563 N CYS A 873 5.386 13.092 -11.551 1.00 0.00 N ATOM 564 CA CYS A 873 4.596 13.000 -12.754 1.00 0.00 C ATOM 565 C CYS A 873 3.411 13.957 -12.722 1.00 0.00 C ATOM 566 O CYS A 873 2.818 14.257 -13.775 1.00 0.00 O ATOM 567 CB CYS A 873 4.083 11.598 -12.787 1.00 0.00 C ATOM 568 SG CYS A 873 3.370 11.145 -11.192 1.00 0.00 S ATOM 0 H CYS A 873 4.935 12.686 -10.731 1.00 0.00 H new ATOM 0 HA CYS A 873 5.196 13.259 -13.626 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.330 11.499 -13.569 1.00 0.00 H new ATOM 0 HB3 CYS A 873 4.894 10.914 -13.036 1.00 0.00 H new ATOM 573 N ASN A 874 3.059 14.387 -11.502 1.00 0.00 N ATOM 574 CA ASN A 874 1.905 15.248 -11.200 1.00 0.00 C ATOM 575 C ASN A 874 0.622 14.374 -11.187 1.00 0.00 C ATOM 576 O ASN A 874 -0.502 14.855 -11.302 1.00 0.00 O ATOM 577 CB ASN A 874 1.811 16.469 -12.178 1.00 0.00 C ATOM 578 CG ASN A 874 0.867 17.584 -11.721 1.00 0.00 C ATOM 579 OD1 ASN A 874 -0.322 17.589 -12.034 1.00 0.00 O ATOM 580 ND2 ASN A 874 1.397 18.555 -11.016 1.00 0.00 N ATOM 0 H ASN A 874 3.589 14.136 -10.667 1.00 0.00 H new ATOM 0 HA ASN A 874 2.028 15.692 -10.212 1.00 0.00 H new ATOM 0 HB2 ASN A 874 2.808 16.888 -12.311 1.00 0.00 H new ATOM 0 HB3 ASN A 874 1.483 16.111 -13.154 1.00 0.00 H new ATOM 0 HD21 ASN A 874 0.820 19.340 -10.714 1.00 0.00 H new ATOM 0 HD22 ASN A 874 2.387 18.525 -10.770 1.00 0.00 H new ATOM 587 N LYS A 875 0.815 13.070 -11.005 1.00 0.00 N ATOM 588 CA LYS A 875 -0.282 12.125 -10.913 1.00 0.00 C ATOM 589 C LYS A 875 -0.578 11.816 -9.454 1.00 0.00 C ATOM 590 O LYS A 875 0.343 11.716 -8.636 1.00 0.00 O ATOM 591 CB LYS A 875 0.067 10.815 -11.618 1.00 0.00 C ATOM 592 CG LYS A 875 0.205 10.897 -13.119 1.00 0.00 C ATOM 593 CD LYS A 875 0.678 9.562 -13.676 1.00 0.00 C ATOM 594 CE LYS A 875 0.639 9.528 -15.192 1.00 0.00 C ATOM 595 NZ LYS A 875 -0.733 9.673 -15.712 1.00 0.00 N ATOM 0 H LYS A 875 1.738 12.644 -10.918 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.152 12.575 -11.392 1.00 0.00 H new ATOM 0 HB2 LYS A 875 1.003 10.440 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.703 10.080 -11.382 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.752 11.167 -13.565 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.913 11.682 -13.384 1.00 0.00 H new ATOM 0 HD2 LYS A 875 1.695 9.368 -13.336 1.00 0.00 H new ATOM 0 HD3 LYS A 875 0.052 8.763 -13.280 1.00 0.00 H new ATOM 0 HE2 LYS A 875 1.264 10.328 -15.589 1.00 0.00 H new ATOM 0 HE3 LYS A 875 1.063 8.588 -15.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -0.767 9.347 -16.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -1.385 9.102 -15.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -1.017 10.672 -15.668 1.00 0.00 H new ATOM 609 N PRO A 876 -1.855 11.678 -9.093 1.00 0.00 N ATOM 610 CA PRO A 876 -2.243 11.299 -7.741 1.00 0.00 C ATOM 611 C PRO A 876 -1.949 9.832 -7.461 1.00 0.00 C ATOM 612 O PRO A 876 -1.618 9.053 -8.377 1.00 0.00 O ATOM 613 CB PRO A 876 -3.758 11.532 -7.723 1.00 0.00 C ATOM 614 CG PRO A 876 -4.168 11.370 -9.131 1.00 0.00 C ATOM 615 CD PRO A 876 -3.029 11.903 -9.958 1.00 0.00 C ATOM 0 HA PRO A 876 -1.698 11.867 -6.987 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.263 10.815 -7.076 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -4.003 12.526 -7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.362 10.323 -9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -5.088 11.918 -9.335 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -2.938 11.375 -10.907 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -3.161 12.959 -10.193 1.00 0.00 H new ATOM 623 N ASP A 877 -2.047 9.466 -6.224 1.00 0.00 N ATOM 624 CA ASP A 877 -1.884 8.092 -5.821 1.00 0.00 C ATOM 625 C ASP A 877 -3.086 7.273 -6.241 1.00 0.00 C ATOM 626 O ASP A 877 -4.231 7.683 -6.050 1.00 0.00 O ATOM 627 CB ASP A 877 -1.665 7.992 -4.317 1.00 0.00 C ATOM 628 CG ASP A 877 -1.714 6.568 -3.812 1.00 0.00 C ATOM 629 OD1 ASP A 877 -1.078 5.682 -4.410 1.00 0.00 O ATOM 630 OD2 ASP A 877 -2.455 6.301 -2.846 1.00 0.00 O ATOM 0 H ASP A 877 -2.243 10.108 -5.456 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.001 7.691 -6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.699 8.429 -4.065 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.425 8.581 -3.804 1.00 0.00 H new ATOM 635 N ASP A 878 -2.819 6.130 -6.815 1.00 0.00 N ATOM 636 CA ASP A 878 -3.878 5.226 -7.297 1.00 0.00 C ATOM 637 C ASP A 878 -4.031 4.069 -6.347 1.00 0.00 C ATOM 638 O ASP A 878 -4.787 3.122 -6.594 1.00 0.00 O ATOM 639 CB ASP A 878 -3.551 4.655 -8.693 1.00 0.00 C ATOM 640 CG ASP A 878 -3.567 5.673 -9.803 1.00 0.00 C ATOM 641 OD1 ASP A 878 -4.631 6.265 -10.066 1.00 0.00 O ATOM 642 OD2 ASP A 878 -2.520 5.864 -10.483 1.00 0.00 O ATOM 0 H ASP A 878 -1.872 5.783 -6.970 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.797 5.809 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -2.567 4.188 -8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.269 3.869 -8.927 1.00 0.00 H new ATOM 647 N GLY A 879 -3.338 4.151 -5.256 1.00 0.00 N ATOM 648 CA GLY A 879 -3.263 3.052 -4.363 1.00 0.00 C ATOM 649 C GLY A 879 -2.034 2.304 -4.701 1.00 0.00 C ATOM 650 O GLY A 879 -1.996 1.072 -4.716 1.00 0.00 O ATOM 0 H GLY A 879 -2.814 4.977 -4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -3.233 3.396 -3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -4.142 2.415 -4.461 1.00 0.00 H new ATOM 654 N SER A 880 -1.034 3.063 -4.981 1.00 0.00 N ATOM 655 CA SER A 880 0.208 2.600 -5.469 1.00 0.00 C ATOM 656 C SER A 880 1.279 2.714 -4.389 1.00 0.00 C ATOM 657 O SER A 880 1.112 3.475 -3.430 1.00 0.00 O ATOM 658 CB SER A 880 0.554 3.430 -6.717 1.00 0.00 C ATOM 659 OG SER A 880 0.284 4.833 -6.511 1.00 0.00 O ATOM 0 H SER A 880 -1.067 4.076 -4.868 1.00 0.00 H new ATOM 0 HA SER A 880 0.155 1.546 -5.740 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.606 3.294 -6.966 1.00 0.00 H new ATOM 0 HB3 SER A 880 -0.024 3.068 -7.567 1.00 0.00 H new ATOM 0 HG SER A 880 0.144 5.002 -5.556 1.00 0.00 H new ATOM 665 N PRO A 881 2.342 1.898 -4.464 1.00 0.00 N ATOM 666 CA PRO A 881 3.455 1.995 -3.539 1.00 0.00 C ATOM 667 C PRO A 881 4.210 3.291 -3.765 1.00 0.00 C ATOM 668 O PRO A 881 4.685 3.581 -4.880 1.00 0.00 O ATOM 669 CB PRO A 881 4.332 0.784 -3.880 1.00 0.00 C ATOM 670 CG PRO A 881 3.454 -0.111 -4.671 1.00 0.00 C ATOM 671 CD PRO A 881 2.544 0.800 -5.426 1.00 0.00 C ATOM 0 HA PRO A 881 3.142 1.997 -2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.211 1.081 -4.452 1.00 0.00 H new ATOM 0 HB3 PRO A 881 4.691 0.289 -2.978 1.00 0.00 H new ATOM 0 HG2 PRO A 881 4.036 -0.736 -5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 881 2.890 -0.782 -4.023 1.00 0.00 H new ATOM 0 HD2 PRO A 881 2.995 1.149 -6.355 1.00 0.00 H new ATOM 0 HD3 PRO A 881 1.606 0.312 -5.691 1.00 0.00 H new ATOM 679 N MET A 882 4.264 4.093 -2.749 1.00 0.00 N ATOM 680 CA MET A 882 4.917 5.364 -2.836 1.00 0.00 C ATOM 681 C MET A 882 6.020 5.401 -1.819 1.00 0.00 C ATOM 682 O MET A 882 5.981 4.645 -0.824 1.00 0.00 O ATOM 683 CB MET A 882 3.923 6.505 -2.576 1.00 0.00 C ATOM 684 CG MET A 882 2.666 6.441 -3.432 1.00 0.00 C ATOM 685 SD MET A 882 1.579 7.858 -3.207 1.00 0.00 S ATOM 686 CE MET A 882 2.485 9.120 -4.075 1.00 0.00 C ATOM 0 H MET A 882 3.858 3.887 -1.836 1.00 0.00 H new ATOM 0 HA MET A 882 5.324 5.497 -3.838 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.635 6.489 -1.525 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.424 7.457 -2.755 1.00 0.00 H new ATOM 0 HG2 MET A 882 2.952 6.375 -4.482 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.118 5.530 -3.193 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.655 9.968 -3.411 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.444 8.719 -4.404 1.00 0.00 H new ATOM 0 HE3 MET A 882 1.912 9.448 -4.942 1.00 0.00 H new ATOM 696 N ILE A 883 6.995 6.232 -2.045 1.00 0.00 N ATOM 697 CA ILE A 883 8.088 6.358 -1.129 1.00 0.00 C ATOM 698 C ILE A 883 8.115 7.772 -0.591 1.00 0.00 C ATOM 699 O ILE A 883 7.866 8.743 -1.328 1.00 0.00 O ATOM 700 CB ILE A 883 9.465 5.964 -1.767 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.563 5.904 -0.693 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.868 6.953 -2.868 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.851 5.287 -1.179 1.00 0.00 C ATOM 0 H ILE A 883 7.054 6.837 -2.864 1.00 0.00 H new ATOM 0 HA ILE A 883 7.931 5.654 -0.312 1.00 0.00 H new ATOM 0 HB ILE A 883 9.351 4.976 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.766 6.914 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.195 5.332 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.827 6.654 -3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 883 9.110 6.955 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 883 9.954 7.954 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.579 5.278 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.663 4.265 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.243 5.871 -2.012 1.00 0.00 H new ATOM 715 N GLY A 884 8.298 7.873 0.684 1.00 0.00 N ATOM 716 CA GLY A 884 8.396 9.135 1.310 1.00 0.00 C ATOM 717 C GLY A 884 9.817 9.464 1.559 1.00 0.00 C ATOM 718 O GLY A 884 10.602 8.583 1.941 1.00 0.00 O ATOM 0 H GLY A 884 8.383 7.077 1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 884 7.942 9.900 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 884 7.845 9.128 2.250 1.00 0.00 H new ATOM 722 N CYS A 885 10.170 10.681 1.311 1.00 0.00 N ATOM 723 CA CYS A 885 11.497 11.145 1.552 1.00 0.00 C ATOM 724 C CYS A 885 11.748 11.254 3.053 1.00 0.00 C ATOM 725 O CYS A 885 10.806 11.439 3.843 1.00 0.00 O ATOM 726 CB CYS A 885 11.701 12.484 0.837 1.00 0.00 C ATOM 727 SG CYS A 885 13.274 13.341 1.188 1.00 0.00 S ATOM 0 H CYS A 885 9.541 11.389 0.932 1.00 0.00 H new ATOM 0 HA CYS A 885 12.221 10.435 1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.633 12.314 -0.238 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.879 13.147 1.107 1.00 0.00 H new ATOM 732 N ASP A 886 12.993 11.110 3.442 1.00 0.00 N ATOM 733 CA ASP A 886 13.379 11.202 4.831 1.00 0.00 C ATOM 734 C ASP A 886 13.640 12.633 5.252 1.00 0.00 C ATOM 735 O ASP A 886 13.955 12.889 6.420 1.00 0.00 O ATOM 736 CB ASP A 886 14.613 10.334 5.150 1.00 0.00 C ATOM 737 CG ASP A 886 14.303 8.871 5.393 1.00 0.00 C ATOM 738 OD1 ASP A 886 13.929 8.513 6.540 1.00 0.00 O ATOM 739 OD2 ASP A 886 14.469 8.051 4.479 1.00 0.00 O ATOM 0 H ASP A 886 13.768 10.926 2.804 1.00 0.00 H new ATOM 0 HA ASP A 886 12.533 10.820 5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 886 15.320 10.411 4.324 1.00 0.00 H new ATOM 0 HB3 ASP A 886 15.109 10.739 6.032 1.00 0.00 H new ATOM 744 N ASP A 887 13.552 13.570 4.325 1.00 0.00 N ATOM 745 CA ASP A 887 13.769 14.969 4.685 1.00 0.00 C ATOM 746 C ASP A 887 12.514 15.799 4.511 1.00 0.00 C ATOM 747 O ASP A 887 11.986 16.336 5.484 1.00 0.00 O ATOM 748 CB ASP A 887 14.928 15.600 3.913 1.00 0.00 C ATOM 749 CG ASP A 887 15.214 17.024 4.380 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.895 17.206 5.416 1.00 0.00 O ATOM 751 OD2 ASP A 887 14.765 17.982 3.736 1.00 0.00 O ATOM 0 H ASP A 887 13.338 13.401 3.342 1.00 0.00 H new ATOM 0 HA ASP A 887 14.036 14.965 5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 887 15.823 14.990 4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.694 15.607 2.848 1.00 0.00 H new ATOM 756 N CYS A 888 12.028 15.899 3.287 1.00 0.00 N ATOM 757 CA CYS A 888 10.842 16.722 3.025 1.00 0.00 C ATOM 758 C CYS A 888 9.540 15.986 3.355 1.00 0.00 C ATOM 759 O CYS A 888 8.482 16.619 3.516 1.00 0.00 O ATOM 760 CB CYS A 888 10.820 17.227 1.564 1.00 0.00 C ATOM 761 SG CYS A 888 10.750 15.936 0.281 1.00 0.00 S ATOM 0 H CYS A 888 12.420 15.434 2.468 1.00 0.00 H new ATOM 0 HA CYS A 888 10.909 17.584 3.689 1.00 0.00 H new ATOM 0 HB2 CYS A 888 9.959 17.884 1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 888 11.710 17.833 1.395 1.00 0.00 H new ATOM 766 N ASP A 889 9.625 14.651 3.443 1.00 0.00 N ATOM 767 CA ASP A 889 8.464 13.774 3.686 1.00 0.00 C ATOM 768 C ASP A 889 7.464 13.875 2.544 1.00 0.00 C ATOM 769 O ASP A 889 6.256 13.694 2.731 1.00 0.00 O ATOM 770 CB ASP A 889 7.760 14.053 5.038 1.00 0.00 C ATOM 771 CG ASP A 889 8.568 13.666 6.260 1.00 0.00 C ATOM 772 OD1 ASP A 889 8.561 12.473 6.653 1.00 0.00 O ATOM 773 OD2 ASP A 889 9.188 14.547 6.875 1.00 0.00 O ATOM 0 H ASP A 889 10.505 14.144 3.347 1.00 0.00 H new ATOM 0 HA ASP A 889 8.856 12.758 3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 889 7.522 15.115 5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 889 6.813 13.513 5.058 1.00 0.00 H new ATOM 778 N ASP A 890 7.966 14.161 1.351 1.00 0.00 N ATOM 779 CA ASP A 890 7.122 14.237 0.185 1.00 0.00 C ATOM 780 C ASP A 890 6.910 12.827 -0.307 1.00 0.00 C ATOM 781 O ASP A 890 7.710 11.929 0.011 1.00 0.00 O ATOM 782 CB ASP A 890 7.767 15.077 -0.915 1.00 0.00 C ATOM 783 CG ASP A 890 6.760 15.741 -1.823 1.00 0.00 C ATOM 784 OD1 ASP A 890 5.637 15.240 -1.966 1.00 0.00 O ATOM 785 OD2 ASP A 890 7.066 16.857 -2.343 1.00 0.00 O ATOM 0 H ASP A 890 8.954 14.343 1.173 1.00 0.00 H new ATOM 0 HA ASP A 890 6.177 14.714 0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 890 8.395 15.842 -0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 890 8.422 14.442 -1.512 1.00 0.00 H new ATOM 790 N TRP A 891 5.900 12.634 -1.084 1.00 0.00 N ATOM 791 CA TRP A 891 5.517 11.312 -1.514 1.00 0.00 C ATOM 792 C TRP A 891 5.534 11.169 -3.007 1.00 0.00 C ATOM 793 O TRP A 891 4.707 11.732 -3.708 1.00 0.00 O ATOM 794 CB TRP A 891 4.161 10.895 -0.920 1.00 0.00 C ATOM 795 CG TRP A 891 4.244 10.626 0.547 1.00 0.00 C ATOM 796 CD1 TRP A 891 4.028 11.502 1.565 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.603 9.391 1.151 1.00 0.00 C ATOM 798 NE1 TRP A 891 4.241 10.880 2.772 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.597 9.585 2.542 1.00 0.00 C ATOM 800 CE3 TRP A 891 4.930 8.143 0.644 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.913 8.568 3.432 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.247 7.134 1.517 1.00 0.00 C ATOM 803 CH2 TRP A 891 5.238 7.352 2.904 1.00 0.00 C ATOM 0 H TRP A 891 5.309 13.382 -1.446 1.00 0.00 H new ATOM 0 HA TRP A 891 6.270 10.626 -1.127 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.429 11.682 -1.102 1.00 0.00 H new ATOM 0 HB3 TRP A 891 3.802 10.002 -1.431 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.733 12.534 1.443 1.00 0.00 H new ATOM 0 HE1 TRP A 891 4.148 11.316 3.689 1.00 0.00 H new ATOM 0 HE3 TRP A 891 4.935 7.968 -0.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.902 8.732 4.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.507 6.159 1.133 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.494 6.539 3.568 1.00 0.00 H new ATOM 814 N TYR A 892 6.479 10.411 -3.475 1.00 0.00 N ATOM 815 CA TYR A 892 6.638 10.136 -4.881 1.00 0.00 C ATOM 816 C TYR A 892 6.311 8.698 -5.169 1.00 0.00 C ATOM 817 O TYR A 892 6.398 7.840 -4.273 1.00 0.00 O ATOM 818 CB TYR A 892 8.077 10.365 -5.316 1.00 0.00 C ATOM 819 CG TYR A 892 8.511 11.793 -5.499 1.00 0.00 C ATOM 820 CD1 TYR A 892 9.028 12.545 -4.457 1.00 0.00 C ATOM 821 CD2 TYR A 892 8.448 12.371 -6.751 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.466 13.836 -4.669 1.00 0.00 C ATOM 823 CE2 TYR A 892 8.875 13.654 -6.967 1.00 0.00 C ATOM 824 CZ TYR A 892 9.383 14.381 -5.932 1.00 0.00 C ATOM 825 OH TYR A 892 9.820 15.653 -6.159 1.00 0.00 O ATOM 0 H TYR A 892 7.176 9.956 -2.885 1.00 0.00 H new ATOM 0 HA TYR A 892 5.967 10.804 -5.421 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.733 9.903 -4.578 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.235 9.839 -6.257 1.00 0.00 H new ATOM 0 HD1 TYR A 892 9.089 12.116 -3.468 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.053 11.799 -7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.871 14.415 -3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 892 8.810 14.088 -7.954 1.00 0.00 H new ATOM 0 HH TYR A 892 9.690 15.880 -7.103 1.00 0.00 H new ATOM 835 N HIS A 893 5.948 8.418 -6.393 1.00 0.00 N ATOM 836 CA HIS A 893 5.757 7.047 -6.813 1.00 0.00 C ATOM 837 C HIS A 893 7.111 6.422 -7.075 1.00 0.00 C ATOM 838 O HIS A 893 8.095 7.126 -7.341 1.00 0.00 O ATOM 839 CB HIS A 893 4.903 6.919 -8.084 1.00 0.00 C ATOM 840 CG HIS A 893 3.490 7.367 -7.961 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.997 8.380 -8.743 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.503 6.884 -7.188 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.705 8.489 -8.419 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.374 7.602 -7.486 1.00 0.00 N ATOM 0 H HIS A 893 5.778 9.116 -7.118 1.00 0.00 H new ATOM 0 HA HIS A 893 5.225 6.536 -6.010 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.379 7.494 -8.878 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.908 5.875 -8.399 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.584 6.082 -6.469 1.00 0.00 H new ATOM 0 HE1 HIS A 893 1.022 9.202 -8.856 1.00 0.00 H new ATOM 0 HE2 HIS A 893 0.451 7.479 -7.069 1.00 0.00 H new ATOM 852 N TRP A 894 7.157 5.125 -7.027 1.00 0.00 N ATOM 853 CA TRP A 894 8.380 4.381 -7.245 1.00 0.00 C ATOM 854 C TRP A 894 8.975 4.588 -8.655 1.00 0.00 C ATOM 855 O TRP A 894 10.149 5.007 -8.768 1.00 0.00 O ATOM 856 CB TRP A 894 8.194 2.899 -6.936 1.00 0.00 C ATOM 857 CG TRP A 894 8.048 2.576 -5.487 1.00 0.00 C ATOM 858 CD1 TRP A 894 8.033 3.441 -4.425 1.00 0.00 C ATOM 859 CD2 TRP A 894 7.929 1.274 -4.942 1.00 0.00 C ATOM 860 NE1 TRP A 894 7.908 2.736 -3.256 1.00 0.00 N ATOM 861 CE2 TRP A 894 7.834 1.405 -3.551 1.00 0.00 C ATOM 862 CE3 TRP A 894 7.887 0.006 -5.504 1.00 0.00 C ATOM 863 CZ2 TRP A 894 7.698 0.308 -2.718 1.00 0.00 C ATOM 864 CZ3 TRP A 894 7.756 -1.078 -4.678 1.00 0.00 C ATOM 865 CH2 TRP A 894 7.661 -0.924 -3.303 1.00 0.00 C ATOM 0 H TRP A 894 6.344 4.540 -6.834 1.00 0.00 H new ATOM 0 HA TRP A 894 9.109 4.787 -6.543 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.311 2.540 -7.465 1.00 0.00 H new ATOM 0 HB3 TRP A 894 9.048 2.350 -7.332 1.00 0.00 H new ATOM 0 HD1 TRP A 894 8.108 4.516 -4.498 1.00 0.00 H new ATOM 0 HE1 TRP A 894 7.876 3.139 -2.320 1.00 0.00 H new ATOM 0 HE3 TRP A 894 7.956 -0.124 -6.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 7.624 0.423 -1.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 7.726 -2.070 -5.104 1.00 0.00 H new ATOM 0 HH2 TRP A 894 7.555 -1.800 -2.680 1.00 0.00 H new ATOM 876 N PRO A 895 8.200 4.354 -9.766 1.00 0.00 N ATOM 877 CA PRO A 895 8.726 4.521 -11.135 1.00 0.00 C ATOM 878 C PRO A 895 9.018 5.984 -11.490 1.00 0.00 C ATOM 879 O PRO A 895 9.543 6.291 -12.562 1.00 0.00 O ATOM 880 CB PRO A 895 7.602 3.972 -12.025 1.00 0.00 C ATOM 881 CG PRO A 895 6.373 4.138 -11.207 1.00 0.00 C ATOM 882 CD PRO A 895 6.795 3.864 -9.800 1.00 0.00 C ATOM 0 HA PRO A 895 9.680 4.008 -11.258 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.533 4.522 -12.963 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.772 2.926 -12.281 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.967 5.145 -11.307 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.593 3.447 -11.525 1.00 0.00 H new ATOM 0 HD2 PRO A 895 6.167 4.391 -9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.733 2.803 -9.560 1.00 0.00 H new ATOM 890 N CYS A 896 8.666 6.871 -10.604 1.00 0.00 N ATOM 891 CA CYS A 896 8.879 8.262 -10.803 1.00 0.00 C ATOM 892 C CYS A 896 10.208 8.730 -10.196 1.00 0.00 C ATOM 893 O CYS A 896 10.729 9.783 -10.564 1.00 0.00 O ATOM 894 CB CYS A 896 7.696 8.995 -10.217 1.00 0.00 C ATOM 895 SG CYS A 896 6.124 8.366 -10.853 1.00 0.00 S ATOM 0 H CYS A 896 8.219 6.639 -9.717 1.00 0.00 H new ATOM 0 HA CYS A 896 8.956 8.479 -11.868 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.712 8.899 -9.131 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.780 10.058 -10.444 1.00 0.00 H new ATOM 900 N VAL A 897 10.752 7.962 -9.267 1.00 0.00 N ATOM 901 CA VAL A 897 12.032 8.332 -8.653 1.00 0.00 C ATOM 902 C VAL A 897 13.131 7.317 -8.879 1.00 0.00 C ATOM 903 O VAL A 897 14.309 7.623 -8.688 1.00 0.00 O ATOM 904 CB VAL A 897 11.922 8.630 -7.149 1.00 0.00 C ATOM 905 CG1 VAL A 897 11.160 9.912 -6.924 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.266 7.472 -6.404 1.00 0.00 C ATOM 0 H VAL A 897 10.343 7.094 -8.921 1.00 0.00 H new ATOM 0 HA VAL A 897 12.306 9.251 -9.171 1.00 0.00 H new ATOM 0 HB VAL A 897 12.930 8.750 -6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 897 11.090 10.111 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.681 10.735 -7.413 1.00 0.00 H new ATOM 0 HG13 VAL A 897 10.158 9.818 -7.342 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.202 7.712 -5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.264 7.306 -6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.863 6.569 -6.537 1.00 0.00 H new ATOM 916 N GLY A 898 12.769 6.125 -9.261 1.00 0.00 N ATOM 917 CA GLY A 898 13.775 5.120 -9.493 1.00 0.00 C ATOM 918 C GLY A 898 13.790 4.058 -8.419 1.00 0.00 C ATOM 919 O GLY A 898 14.829 3.450 -8.136 1.00 0.00 O ATOM 0 H GLY A 898 11.806 5.826 -9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 898 13.599 4.651 -10.461 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.754 5.596 -9.543 1.00 0.00 H new ATOM 923 N ILE A 899 12.661 3.851 -7.805 1.00 0.00 N ATOM 924 CA ILE A 899 12.504 2.816 -6.814 1.00 0.00 C ATOM 925 C ILE A 899 11.706 1.689 -7.469 1.00 0.00 C ATOM 926 O ILE A 899 10.826 1.960 -8.282 1.00 0.00 O ATOM 927 CB ILE A 899 11.761 3.361 -5.547 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.586 4.458 -4.851 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.430 2.243 -4.551 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.863 3.985 -4.217 1.00 0.00 C ATOM 0 H ILE A 899 11.816 4.396 -7.976 1.00 0.00 H new ATOM 0 HA ILE A 899 13.476 2.456 -6.477 1.00 0.00 H new ATOM 0 HB ILE A 899 10.822 3.792 -5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.825 5.231 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.968 4.925 -4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 899 10.915 2.665 -3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 899 10.787 1.506 -5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.352 1.762 -4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.373 4.829 -3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.637 3.236 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.507 3.546 -4.979 1.00 0.00 H new ATOM 942 N MET A 900 12.050 0.461 -7.191 1.00 0.00 N ATOM 943 CA MET A 900 11.338 -0.676 -7.766 1.00 0.00 C ATOM 944 C MET A 900 10.976 -1.689 -6.689 1.00 0.00 C ATOM 945 O MET A 900 10.060 -2.504 -6.862 1.00 0.00 O ATOM 946 CB MET A 900 12.157 -1.341 -8.892 1.00 0.00 C ATOM 947 CG MET A 900 13.495 -1.913 -8.451 1.00 0.00 C ATOM 948 SD MET A 900 14.408 -2.681 -9.800 1.00 0.00 S ATOM 949 CE MET A 900 15.865 -3.231 -8.921 1.00 0.00 C ATOM 0 H MET A 900 12.819 0.209 -6.570 1.00 0.00 H new ATOM 0 HA MET A 900 10.414 -0.300 -8.206 1.00 0.00 H new ATOM 0 HB2 MET A 900 11.562 -2.142 -9.331 1.00 0.00 H new ATOM 0 HB3 MET A 900 12.332 -0.606 -9.678 1.00 0.00 H new ATOM 0 HG2 MET A 900 14.100 -1.117 -8.017 1.00 0.00 H new ATOM 0 HG3 MET A 900 13.328 -2.650 -7.666 1.00 0.00 H new ATOM 0 HE1 MET A 900 16.541 -3.732 -9.614 1.00 0.00 H new ATOM 0 HE2 MET A 900 16.369 -2.372 -8.479 1.00 0.00 H new ATOM 0 HE3 MET A 900 15.574 -3.926 -8.133 1.00 0.00 H new ATOM 959 N ALA A 901 11.687 -1.633 -5.588 1.00 0.00 N ATOM 960 CA ALA A 901 11.460 -2.497 -4.463 1.00 0.00 C ATOM 961 C ALA A 901 11.503 -1.652 -3.218 1.00 0.00 C ATOM 962 O ALA A 901 12.260 -0.677 -3.163 1.00 0.00 O ATOM 963 CB ALA A 901 12.522 -3.581 -4.406 1.00 0.00 C ATOM 0 H ALA A 901 12.452 -0.973 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 901 10.491 -2.988 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 901 12.336 -4.227 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 901 12.487 -4.173 -5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 901 13.506 -3.122 -4.308 1.00 0.00 H new ATOM 969 N ALA A 902 10.716 -1.999 -2.237 1.00 0.00 N ATOM 970 CA ALA A 902 10.612 -1.199 -1.033 1.00 0.00 C ATOM 971 C ALA A 902 11.825 -1.351 -0.129 1.00 0.00 C ATOM 972 O ALA A 902 12.169 -2.473 0.272 1.00 0.00 O ATOM 973 CB ALA A 902 9.350 -1.559 -0.263 1.00 0.00 C ATOM 0 H ALA A 902 10.131 -2.835 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 902 10.565 -0.157 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 902 9.287 -0.949 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 902 8.477 -1.373 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 902 9.381 -2.613 0.013 1.00 0.00 H new ATOM 979 N PRO A 903 12.533 -0.243 0.167 1.00 0.00 N ATOM 980 CA PRO A 903 13.560 -0.252 1.159 1.00 0.00 C ATOM 981 C PRO A 903 12.912 -0.055 2.537 1.00 0.00 C ATOM 982 O PRO A 903 11.759 0.434 2.629 1.00 0.00 O ATOM 983 CB PRO A 903 14.458 0.952 0.801 1.00 0.00 C ATOM 984 CG PRO A 903 13.756 1.701 -0.278 1.00 0.00 C ATOM 985 CD PRO A 903 12.393 1.087 -0.444 1.00 0.00 C ATOM 0 HA PRO A 903 14.129 -1.181 1.189 1.00 0.00 H new ATOM 0 HB2 PRO A 903 14.619 1.587 1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 903 15.439 0.617 0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 903 13.672 2.756 -0.019 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.317 1.645 -1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 903 11.624 1.678 0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.110 1.017 -1.494 1.00 0.00 H new ATOM 993 N PRO A 904 13.595 -0.435 3.603 1.00 0.00 N ATOM 994 CA PRO A 904 13.070 -0.317 4.952 1.00 0.00 C ATOM 995 C PRO A 904 13.108 1.128 5.438 1.00 0.00 C ATOM 996 O PRO A 904 13.844 1.955 4.890 1.00 0.00 O ATOM 997 CB PRO A 904 14.041 -1.171 5.771 1.00 0.00 C ATOM 998 CG PRO A 904 15.323 -1.082 5.032 1.00 0.00 C ATOM 999 CD PRO A 904 14.950 -0.995 3.583 1.00 0.00 C ATOM 0 HA PRO A 904 12.029 -0.631 5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 904 14.142 -0.793 6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 904 13.697 -2.202 5.847 1.00 0.00 H new ATOM 0 HG2 PRO A 904 15.894 -0.207 5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 904 15.947 -1.955 5.224 1.00 0.00 H new ATOM 0 HD2 PRO A 904 15.639 -0.356 3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 904 14.971 -1.974 3.105 1.00 0.00 H new ATOM 1007 N GLU A 905 12.356 1.427 6.485 1.00 0.00 N ATOM 1008 CA GLU A 905 12.353 2.780 7.041 1.00 0.00 C ATOM 1009 C GLU A 905 13.649 3.056 7.776 1.00 0.00 C ATOM 1010 O GLU A 905 14.001 4.207 8.039 1.00 0.00 O ATOM 1011 CB GLU A 905 11.162 3.020 7.955 1.00 0.00 C ATOM 1012 CG GLU A 905 9.833 2.940 7.247 1.00 0.00 C ATOM 1013 CD GLU A 905 8.709 3.445 8.101 1.00 0.00 C ATOM 1014 OE1 GLU A 905 8.598 4.661 8.279 1.00 0.00 O ATOM 1015 OE2 GLU A 905 7.908 2.646 8.605 1.00 0.00 O ATOM 0 H GLU A 905 11.746 0.765 6.965 1.00 0.00 H new ATOM 0 HA GLU A 905 12.265 3.473 6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 905 11.180 2.287 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 905 11.260 4.003 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 905 9.878 3.521 6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 905 9.636 1.906 6.962 1.00 0.00 H new ATOM 1022 N GLU A 906 14.349 1.981 8.093 1.00 0.00 N ATOM 1023 CA GLU A 906 15.644 2.041 8.743 1.00 0.00 C ATOM 1024 C GLU A 906 16.665 2.656 7.804 1.00 0.00 C ATOM 1025 O GLU A 906 17.589 3.345 8.234 1.00 0.00 O ATOM 1026 CB GLU A 906 16.094 0.643 9.136 1.00 0.00 C ATOM 1027 CG GLU A 906 15.140 -0.060 10.068 1.00 0.00 C ATOM 1028 CD GLU A 906 15.585 -1.454 10.391 1.00 0.00 C ATOM 1029 OE1 GLU A 906 16.327 -1.642 11.376 1.00 0.00 O ATOM 1030 OE2 GLU A 906 15.185 -2.386 9.680 1.00 0.00 O ATOM 0 H GLU A 906 14.029 1.031 7.904 1.00 0.00 H new ATOM 0 HA GLU A 906 15.560 2.656 9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 906 16.216 0.043 8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 906 17.073 0.706 9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 906 15.048 0.513 10.991 1.00 0.00 H new ATOM 0 HG3 GLU A 906 14.150 -0.093 9.614 1.00 0.00 H new ATOM 1037 N MET A 907 16.498 2.408 6.528 1.00 0.00 N ATOM 1038 CA MET A 907 17.379 2.965 5.546 1.00 0.00 C ATOM 1039 C MET A 907 16.794 4.265 5.088 1.00 0.00 C ATOM 1040 O MET A 907 15.577 4.371 4.869 1.00 0.00 O ATOM 1041 CB MET A 907 17.585 2.017 4.359 1.00 0.00 C ATOM 1042 CG MET A 907 18.537 2.558 3.293 1.00 0.00 C ATOM 1043 SD MET A 907 18.767 1.428 1.899 1.00 0.00 S ATOM 1044 CE MET A 907 19.921 2.385 0.913 1.00 0.00 C ATOM 0 H MET A 907 15.755 1.821 6.150 1.00 0.00 H new ATOM 0 HA MET A 907 18.362 3.122 5.991 1.00 0.00 H new ATOM 0 HB2 MET A 907 17.971 1.067 4.728 1.00 0.00 H new ATOM 0 HB3 MET A 907 16.619 1.812 3.899 1.00 0.00 H new ATOM 0 HG2 MET A 907 18.153 3.508 2.922 1.00 0.00 H new ATOM 0 HG3 MET A 907 19.505 2.762 3.750 1.00 0.00 H new ATOM 0 HE1 MET A 907 20.172 1.832 0.008 1.00 0.00 H new ATOM 0 HE2 MET A 907 19.465 3.337 0.642 1.00 0.00 H new ATOM 0 HE3 MET A 907 20.828 2.568 1.490 1.00 0.00 H new ATOM 1054 N GLN A 908 17.613 5.238 4.978 1.00 0.00 N ATOM 1055 CA GLN A 908 17.165 6.528 4.584 1.00 0.00 C ATOM 1056 C GLN A 908 17.222 6.691 3.101 1.00 0.00 C ATOM 1057 O GLN A 908 18.006 6.027 2.414 1.00 0.00 O ATOM 1058 CB GLN A 908 17.931 7.632 5.279 1.00 0.00 C ATOM 1059 CG GLN A 908 17.747 7.631 6.775 1.00 0.00 C ATOM 1060 CD GLN A 908 18.309 8.861 7.414 1.00 0.00 C ATOM 1061 OE1 GLN A 908 19.471 8.907 7.814 1.00 0.00 O ATOM 1062 NE2 GLN A 908 17.504 9.878 7.484 1.00 0.00 N ATOM 0 H GLN A 908 18.615 5.170 5.157 1.00 0.00 H new ATOM 0 HA GLN A 908 16.124 6.611 4.895 1.00 0.00 H new ATOM 0 HB2 GLN A 908 18.992 7.530 5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 908 17.610 8.595 4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 908 16.685 7.555 7.009 1.00 0.00 H new ATOM 0 HG3 GLN A 908 18.230 6.750 7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 908 16.547 9.796 7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 908 17.829 10.759 7.883 1.00 0.00 H new ATOM 1071 N TRP A 909 16.394 7.549 2.619 1.00 0.00 N ATOM 1072 CA TRP A 909 16.295 7.833 1.225 1.00 0.00 C ATOM 1073 C TRP A 909 15.855 9.260 1.064 1.00 0.00 C ATOM 1074 O TRP A 909 15.022 9.759 1.828 1.00 0.00 O ATOM 1075 CB TRP A 909 15.301 6.872 0.551 1.00 0.00 C ATOM 1076 CG TRP A 909 15.112 7.086 -0.926 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.812 6.503 -1.940 1.00 0.00 C ATOM 1078 CD2 TRP A 909 14.146 7.940 -1.545 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.339 6.944 -3.153 1.00 0.00 N ATOM 1080 CE2 TRP A 909 14.311 7.828 -2.934 1.00 0.00 C ATOM 1081 CE3 TRP A 909 13.157 8.787 -1.047 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.515 8.534 -3.832 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.377 9.485 -1.929 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.554 9.355 -3.308 1.00 0.00 C ATOM 0 H TRP A 909 15.748 8.089 3.196 1.00 0.00 H new ATOM 0 HA TRP A 909 17.263 7.693 0.744 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.640 5.849 0.714 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.334 6.969 1.044 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.620 5.798 -1.810 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.694 6.661 -4.067 1.00 0.00 H new ATOM 0 HE3 TRP A 909 13.009 8.891 0.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.651 8.438 -4.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.612 10.147 -1.552 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.917 9.916 -3.977 1.00 0.00 H new ATOM 1095 N PHE A 910 16.406 9.908 0.095 1.00 0.00 N ATOM 1096 CA PHE A 910 16.124 11.275 -0.166 1.00 0.00 C ATOM 1097 C PHE A 910 15.859 11.411 -1.638 1.00 0.00 C ATOM 1098 O PHE A 910 16.551 10.790 -2.463 1.00 0.00 O ATOM 1099 CB PHE A 910 17.302 12.162 0.271 1.00 0.00 C ATOM 1100 CG PHE A 910 17.682 11.977 1.713 1.00 0.00 C ATOM 1101 CD1 PHE A 910 16.956 12.586 2.716 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.748 11.157 2.063 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.286 12.392 4.038 1.00 0.00 C ATOM 1104 CE2 PHE A 910 19.078 10.953 3.386 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.346 11.573 4.375 1.00 0.00 C ATOM 0 H PHE A 910 17.078 9.493 -0.550 1.00 0.00 H new ATOM 0 HA PHE A 910 15.252 11.602 0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 910 18.166 11.942 -0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 910 17.043 13.207 0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 910 16.121 13.221 2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 910 19.325 10.673 1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 910 16.715 12.881 4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 910 19.906 10.310 3.646 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.601 11.419 5.413 1.00 0.00 H new ATOM 1115 N CYS A 911 14.859 12.161 -1.955 1.00 0.00 N ATOM 1116 CA CYS A 911 14.422 12.363 -3.303 1.00 0.00 C ATOM 1117 C CYS A 911 15.413 13.248 -4.077 1.00 0.00 C ATOM 1118 O CYS A 911 16.302 13.857 -3.475 1.00 0.00 O ATOM 1119 CB CYS A 911 13.068 13.049 -3.214 1.00 0.00 C ATOM 1120 SG CYS A 911 13.140 14.595 -2.287 1.00 0.00 S ATOM 0 H CYS A 911 14.303 12.668 -1.266 1.00 0.00 H new ATOM 0 HA CYS A 911 14.358 11.414 -3.835 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.698 13.248 -4.220 1.00 0.00 H new ATOM 0 HB3 CYS A 911 12.354 12.377 -2.739 1.00 0.00 H new ATOM 1125 N PRO A 912 15.266 13.342 -5.421 1.00 0.00 N ATOM 1126 CA PRO A 912 16.071 14.245 -6.259 1.00 0.00 C ATOM 1127 C PRO A 912 16.014 15.726 -5.787 1.00 0.00 C ATOM 1128 O PRO A 912 16.854 16.546 -6.173 1.00 0.00 O ATOM 1129 CB PRO A 912 15.450 14.100 -7.664 1.00 0.00 C ATOM 1130 CG PRO A 912 14.181 13.328 -7.471 1.00 0.00 C ATOM 1131 CD PRO A 912 14.373 12.513 -6.237 1.00 0.00 C ATOM 0 HA PRO A 912 17.128 13.983 -6.219 1.00 0.00 H new ATOM 0 HB2 PRO A 912 15.251 15.076 -8.106 1.00 0.00 H new ATOM 0 HB3 PRO A 912 16.127 13.577 -8.339 1.00 0.00 H new ATOM 0 HG2 PRO A 912 13.329 14.000 -7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 912 13.979 12.690 -8.331 1.00 0.00 H new ATOM 0 HD2 PRO A 912 13.427 12.321 -5.730 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.817 11.543 -6.461 1.00 0.00 H new ATOM 1139 N LYS A 913 15.025 16.053 -4.958 1.00 0.00 N ATOM 1140 CA LYS A 913 14.907 17.379 -4.375 1.00 0.00 C ATOM 1141 C LYS A 913 15.952 17.505 -3.280 1.00 0.00 C ATOM 1142 O LYS A 913 16.874 18.324 -3.346 1.00 0.00 O ATOM 1143 CB LYS A 913 13.538 17.552 -3.697 1.00 0.00 C ATOM 1144 CG LYS A 913 12.311 17.345 -4.566 1.00 0.00 C ATOM 1145 CD LYS A 913 11.074 17.045 -3.692 1.00 0.00 C ATOM 1146 CE LYS A 913 10.741 18.158 -2.711 1.00 0.00 C ATOM 1147 NZ LYS A 913 9.639 17.774 -1.784 1.00 0.00 N ATOM 0 H LYS A 913 14.288 15.407 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 913 15.033 18.122 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 913 13.483 16.855 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 913 13.491 18.557 -3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 913 12.131 18.235 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 913 12.483 16.521 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 913 10.214 16.873 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 913 11.245 16.122 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 913 11.630 18.410 -2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 913 10.455 19.054 -3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 9.340 18.606 -1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 8.833 17.413 -2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 9.974 17.034 -1.134 1.00 0.00 H new ATOM 1161 N CYS A 914 15.838 16.620 -2.323 1.00 0.00 N ATOM 1162 CA CYS A 914 16.613 16.691 -1.121 1.00 0.00 C ATOM 1163 C CYS A 914 18.022 16.169 -1.259 1.00 0.00 C ATOM 1164 O CYS A 914 18.948 16.753 -0.726 1.00 0.00 O ATOM 1165 CB CYS A 914 15.856 16.016 0.001 1.00 0.00 C ATOM 1166 SG CYS A 914 14.320 16.870 0.398 1.00 0.00 S ATOM 0 H CYS A 914 15.199 15.826 -2.361 1.00 0.00 H new ATOM 0 HA CYS A 914 16.748 17.746 -0.884 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.635 14.986 -0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.487 15.975 0.889 1.00 0.00 H new ATOM 1171 N ALA A 915 18.201 15.133 -2.012 1.00 0.00 N ATOM 1172 CA ALA A 915 19.511 14.538 -2.157 1.00 0.00 C ATOM 1173 C ALA A 915 20.457 15.442 -2.948 1.00 0.00 C ATOM 1174 O ALA A 915 21.679 15.293 -2.885 1.00 0.00 O ATOM 1175 CB ALA A 915 19.409 13.159 -2.766 1.00 0.00 C ATOM 0 H ALA A 915 17.461 14.672 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 915 19.942 14.429 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 915 20.406 12.731 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.803 12.521 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 915 18.944 13.229 -3.749 1.00 0.00 H new ATOM 1181 N ASN A 916 19.884 16.417 -3.625 1.00 0.00 N ATOM 1182 CA ASN A 916 20.651 17.336 -4.462 1.00 0.00 C ATOM 1183 C ASN A 916 21.302 18.404 -3.595 1.00 0.00 C ATOM 1184 O ASN A 916 22.474 18.733 -3.780 1.00 0.00 O ATOM 1185 CB ASN A 916 19.762 18.008 -5.508 1.00 0.00 C ATOM 1186 CG ASN A 916 20.546 18.876 -6.492 1.00 0.00 C ATOM 1187 OD1 ASN A 916 21.684 18.570 -6.853 1.00 0.00 O ATOM 1188 ND2 ASN A 916 19.956 19.953 -6.927 1.00 0.00 N ATOM 0 H ASN A 916 18.880 16.599 -3.615 1.00 0.00 H new ATOM 0 HA ASN A 916 21.417 16.758 -4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 916 19.219 17.242 -6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 916 19.018 18.624 -5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 916 20.437 20.568 -7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 916 19.013 20.181 -6.611 1.00 0.00 H new ATOM 1195 N LYS A 917 20.536 18.924 -2.618 1.00 0.00 N ATOM 1196 CA LYS A 917 21.053 19.937 -1.690 1.00 0.00 C ATOM 1197 C LYS A 917 22.104 19.298 -0.786 1.00 0.00 C ATOM 1198 O LYS A 917 23.092 19.936 -0.399 1.00 0.00 O ATOM 1199 CB LYS A 917 19.910 20.588 -0.869 1.00 0.00 C ATOM 1200 CG LYS A 917 19.162 19.617 0.013 1.00 0.00 C ATOM 1201 CD LYS A 917 17.966 20.228 0.710 1.00 0.00 C ATOM 1202 CE LYS A 917 17.247 19.176 1.549 1.00 0.00 C ATOM 1203 NZ LYS A 917 16.020 19.703 2.171 1.00 0.00 N ATOM 0 H LYS A 917 19.565 18.659 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 917 21.520 20.740 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 917 20.328 21.381 -0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 917 19.205 21.058 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 917 18.828 18.774 -0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 917 19.846 19.220 0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 917 18.289 21.052 1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 917 17.281 20.645 -0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 917 16.995 18.322 0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 917 17.919 18.812 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 15.391 18.913 2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 16.267 20.235 3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 15.534 20.333 1.501 1.00 0.00 H new ATOM 1217 N ILE A 918 21.881 18.018 -0.483 1.00 0.00 N ATOM 1218 CA ILE A 918 22.822 17.203 0.266 1.00 0.00 C ATOM 1219 C ILE A 918 24.081 17.040 -0.563 1.00 0.00 C ATOM 1220 O ILE A 918 25.211 17.090 -0.051 1.00 0.00 O ATOM 1221 CB ILE A 918 22.226 15.797 0.532 1.00 0.00 C ATOM 1222 CG1 ILE A 918 20.959 15.902 1.390 1.00 0.00 C ATOM 1223 CG2 ILE A 918 23.263 14.858 1.132 1.00 0.00 C ATOM 1224 CD1 ILE A 918 20.361 14.570 1.805 1.00 0.00 C ATOM 0 H ILE A 918 21.034 17.520 -0.755 1.00 0.00 H new ATOM 0 HA ILE A 918 23.038 17.688 1.218 1.00 0.00 H new ATOM 0 HB ILE A 918 21.933 15.359 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 918 21.191 16.476 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 918 20.208 16.465 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 918 22.812 13.881 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 918 24.101 14.753 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 918 23.620 15.266 2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 918 19.470 14.743 2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 918 20.092 13.999 0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 918 21.091 14.010 2.389 1.00 0.00 H new ATOM 1236 N LYS A 919 23.855 16.775 -1.841 1.00 0.00 N ATOM 1237 CA LYS A 919 24.864 16.655 -2.868 1.00 0.00 C ATOM 1238 C LYS A 919 25.502 15.289 -2.884 1.00 0.00 C ATOM 1239 O LYS A 919 25.691 14.705 -3.961 1.00 0.00 O ATOM 1240 CB LYS A 919 25.900 17.802 -2.817 1.00 0.00 C ATOM 1241 CG LYS A 919 27.008 17.725 -3.847 1.00 0.00 C ATOM 1242 CD LYS A 919 27.966 18.877 -3.671 1.00 0.00 C ATOM 1243 CE LYS A 919 29.076 18.854 -4.699 1.00 0.00 C ATOM 1244 NZ LYS A 919 29.970 20.017 -4.549 1.00 0.00 N ATOM 0 H LYS A 919 22.912 16.631 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 919 24.350 16.761 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 919 25.375 18.749 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 919 26.350 17.818 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 919 27.542 16.780 -3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 919 26.583 17.746 -4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 919 27.420 19.817 -3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 919 28.398 18.840 -2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 919 29.652 17.934 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 919 28.647 18.850 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 919 30.720 19.973 -5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 919 29.423 20.893 -4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 919 30.397 20.006 -3.601 1.00 0.00 H new ATOM 1258 N LYS A 920 25.758 14.747 -1.695 1.00 0.00 N ATOM 1259 CA LYS A 920 26.459 13.486 -1.534 1.00 0.00 C ATOM 1260 C LYS A 920 27.841 13.694 -2.105 1.00 0.00 C ATOM 1261 O LYS A 920 28.196 13.165 -3.166 1.00 0.00 O ATOM 1262 CB LYS A 920 25.738 12.331 -2.252 1.00 0.00 C ATOM 1263 CG LYS A 920 24.306 12.089 -1.799 1.00 0.00 C ATOM 1264 CD LYS A 920 23.554 11.149 -2.755 1.00 0.00 C ATOM 1265 CE LYS A 920 23.073 11.844 -4.059 1.00 0.00 C ATOM 1266 NZ LYS A 920 24.158 12.390 -4.920 1.00 0.00 N ATOM 0 H LYS A 920 25.481 15.178 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 920 26.499 13.204 -0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 920 25.735 12.534 -3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 920 26.311 11.416 -2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 920 24.310 11.661 -0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 920 23.779 13.041 -1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 920 24.204 10.314 -3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 920 22.691 10.731 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 920 22.494 11.128 -4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 920 22.398 12.657 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 920 23.771 12.633 -5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 920 24.556 13.243 -4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 920 24.906 11.676 -5.030 1.00 0.00 H new ATOM 1280 N ASP A 921 28.561 14.562 -1.451 1.00 0.00 N ATOM 1281 CA ASP A 921 29.865 14.992 -1.888 1.00 0.00 C ATOM 1282 C ASP A 921 30.854 13.828 -1.833 1.00 0.00 C ATOM 1283 O ASP A 921 30.611 12.811 -1.146 1.00 0.00 O ATOM 1284 CB ASP A 921 30.339 16.165 -1.016 1.00 0.00 C ATOM 1285 CG ASP A 921 31.503 16.921 -1.613 1.00 0.00 C ATOM 1286 OD1 ASP A 921 32.639 16.450 -1.524 1.00 0.00 O ATOM 1287 OD2 ASP A 921 31.281 18.001 -2.199 1.00 0.00 O ATOM 0 H ASP A 921 28.254 15.000 -0.582 1.00 0.00 H new ATOM 0 HA ASP A 921 29.807 15.330 -2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 921 29.508 16.853 -0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 921 30.625 15.787 -0.035 1.00 0.00 H new ATOM 1292 N LYS A 922 31.943 13.974 -2.543 1.00 0.00 N ATOM 1293 CA LYS A 922 32.967 12.964 -2.647 1.00 0.00 C ATOM 1294 C LYS A 922 33.618 12.727 -1.291 1.00 0.00 C ATOM 1295 O LYS A 922 33.926 11.583 -0.923 1.00 0.00 O ATOM 1296 CB LYS A 922 34.021 13.413 -3.653 1.00 0.00 C ATOM 1297 CG LYS A 922 35.141 12.417 -3.874 1.00 0.00 C ATOM 1298 CD LYS A 922 36.189 12.994 -4.786 1.00 0.00 C ATOM 1299 CE LYS A 922 37.330 12.029 -5.014 1.00 0.00 C ATOM 1300 NZ LYS A 922 38.379 12.631 -5.856 1.00 0.00 N ATOM 0 H LYS A 922 32.148 14.818 -3.078 1.00 0.00 H new ATOM 0 HA LYS A 922 32.513 12.032 -2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 922 33.533 13.610 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 922 34.451 14.355 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 922 35.591 12.149 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 922 34.740 11.500 -4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 922 35.735 13.253 -5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 922 36.575 13.918 -4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 922 37.756 11.732 -4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 922 36.954 11.123 -5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 39.149 11.945 -5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 37.976 12.891 -6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 38.753 13.482 -5.389 1.00 0.00 H new ATOM 1314 N LYS A 923 33.797 13.797 -0.540 1.00 0.00 N ATOM 1315 CA LYS A 923 34.420 13.699 0.755 1.00 0.00 C ATOM 1316 C LYS A 923 33.527 12.949 1.730 1.00 0.00 C ATOM 1317 O LYS A 923 32.341 13.257 1.892 1.00 0.00 O ATOM 1318 CB LYS A 923 34.840 15.073 1.303 1.00 0.00 C ATOM 1319 CG LYS A 923 33.717 16.085 1.445 1.00 0.00 C ATOM 1320 CD LYS A 923 34.237 17.397 1.989 1.00 0.00 C ATOM 1321 CE LYS A 923 33.141 18.441 2.061 1.00 0.00 C ATOM 1322 NZ LYS A 923 33.637 19.714 2.617 1.00 0.00 N ATOM 0 H LYS A 923 33.518 14.741 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 923 35.338 13.124 0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 923 35.304 14.930 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 923 35.602 15.491 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 923 33.246 16.250 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 923 32.949 15.690 2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 923 34.657 17.239 2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 923 35.046 17.760 1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 923 32.736 18.613 1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 923 32.323 18.068 2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 923 32.860 20.404 2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 923 34.001 19.555 3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 923 34.400 20.082 2.014 1.00 0.00 H new ATOM 1336 N HIS A 924 34.081 11.947 2.325 1.00 0.00 N ATOM 1337 CA HIS A 924 33.386 11.117 3.256 1.00 0.00 C ATOM 1338 C HIS A 924 34.314 10.782 4.392 1.00 0.00 C ATOM 1339 O HIS A 924 35.269 10.031 4.184 1.00 0.00 O ATOM 1340 CB HIS A 924 32.766 9.859 2.573 1.00 0.00 C ATOM 1341 CG HIS A 924 33.725 8.980 1.802 1.00 0.00 C ATOM 1342 ND1 HIS A 924 34.066 9.207 0.486 1.00 0.00 N ATOM 1343 CD2 HIS A 924 34.392 7.864 2.168 1.00 0.00 C ATOM 1344 CE1 HIS A 924 34.892 8.268 0.079 1.00 0.00 C ATOM 1345 NE2 HIS A 924 35.109 7.445 1.078 1.00 0.00 N ATOM 1346 OXT HIS A 924 34.131 11.336 5.483 1.00 0.00 O ATOM 0 H HIS A 924 35.052 11.674 2.175 1.00 0.00 H new ATOM 0 HA HIS A 924 32.531 11.659 3.661 1.00 0.00 H new ATOM 0 HB2 HIS A 924 32.287 9.252 3.342 1.00 0.00 H new ATOM 0 HB3 HIS A 924 31.981 10.190 1.893 1.00 0.00 H new ATOM 0 HD1 HIS A 924 33.730 9.983 -0.084 1.00 0.00 H new ATOM 0 HD2 HIS A 924 34.365 7.390 3.138 1.00 0.00 H new ATOM 0 HE1 HIS A 924 35.319 8.188 -0.910 1.00 0.00 H new TER 1355 HIS A 924 HETATM 1356 ZN ZN A 940 12.909 15.152 -0.202 1.00 0.00 ZN HETATM 1357 ZN ZN A 941 4.274 9.409 -10.073 1.00 0.00 ZN