USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=22 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 Single : A 851 SER OG : rot 180:sc= 0 USER MOD Single : A 852 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 853 MET CE :methyl 159:sc= -0.121 (180deg=-0.614) USER MOD Single : A 855 MET CE :methyl -173:sc= 0 (180deg=-0.0835) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.28) USER MOD Single : A 866 GLN :FLIP amide:sc=-0.000462 F(o=-0.81,f=-0.00046) USER MOD Single : A 870 CYS SG : rot -171:sc= 1.37 USER MOD Single : A 874 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.082) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 882 MET CE :methyl -140:sc= -0.854 (180deg=-1.85) USER MOD Single : A 892 TYR OH : rot 41:sc= 1.42 USER MOD Single : A 900 MET CE :methyl -163:sc= -0.0942 (180deg=-0.453) USER MOD Single : A 907 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 913 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0172) USER MOD Single : A 916 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.1) USER MOD Single : A 917 LYS NZ :NH3+ -117:sc= 1.37 (180deg=-1.01!) USER MOD Single : A 919 LYS NZ :NH3+ -112:sc= 0.488 (180deg=-0.353) USER MOD Single : A 920 LYS NZ :NH3+ -162:sc= 1.15 (180deg=0.385) USER MOD Single : A 922 LYS NZ :NH3+ -166:sc= -0.0295 (180deg=-0.26) USER MOD Single : A 923 LYS NZ :NH3+ -170:sc= -0.022 (180deg=-0.118) USER MOD Single : A 924 HIS : no HD1:sc= -0.0612 X(o=-0.061,f=-0.51) USER MOD Single : P 1 ALA N :NH3+ -157:sc=-0.000869 (180deg=-1.86!) USER MOD Single : P 3 THR OG1 : rot -120:sc= 0.0185 USER MOD Single : P 5 GLN : amide:sc= 0.533 K(o=0.53,f=-0.69) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0 USER MOD Single : P 9 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0288) USER MOD Single : P 10 SER OG : rot 180:sc= 0 USER MOD Single : P 11 THR OG1 : rot 180:sc= -0.272 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 13.687 6.363 4.265 1.00 0.00 N ATOM 2 CA ALA P 1 12.877 5.988 3.113 1.00 0.00 C ATOM 3 C ALA P 1 11.620 5.398 3.621 1.00 0.00 C ATOM 4 O ALA P 1 11.596 4.244 4.040 1.00 0.00 O ATOM 5 CB ALA P 1 13.590 4.965 2.222 1.00 0.00 C ATOM 0 H1 ALA P 1 14.363 7.103 3.988 1.00 0.00 H new ATOM 0 H2 ALA P 1 13.070 6.723 5.021 1.00 0.00 H new ATOM 0 H3 ALA P 1 14.207 5.531 4.609 1.00 0.00 H new ATOM 0 HA ALA P 1 12.690 6.875 2.507 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.952 4.713 1.375 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.526 5.389 1.858 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.800 4.064 2.799 1.00 0.00 H new ATOM 13 N ARG P 2 10.588 6.177 3.652 1.00 0.00 N ATOM 14 CA ARG P 2 9.354 5.688 4.164 1.00 0.00 C ATOM 15 C ARG P 2 8.636 5.014 3.042 1.00 0.00 C ATOM 16 O ARG P 2 8.308 5.642 2.057 1.00 0.00 O ATOM 17 CB ARG P 2 8.511 6.818 4.718 1.00 0.00 C ATOM 18 CG ARG P 2 7.595 6.380 5.818 1.00 0.00 C ATOM 19 CD ARG P 2 6.887 7.556 6.443 1.00 0.00 C ATOM 20 NE ARG P 2 6.001 7.135 7.523 1.00 0.00 N ATOM 21 CZ ARG P 2 5.356 7.960 8.353 1.00 0.00 C ATOM 22 NH1 ARG P 2 5.436 9.280 8.192 1.00 0.00 N ATOM 23 NH2 ARG P 2 4.615 7.458 9.320 1.00 0.00 N ATOM 0 H ARG P 2 10.576 7.145 3.332 1.00 0.00 H new ATOM 0 HA ARG P 2 9.540 4.990 4.980 1.00 0.00 H new ATOM 0 HB2 ARG P 2 9.167 7.604 5.091 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.920 7.252 3.912 1.00 0.00 H new ATOM 0 HG2 ARG P 2 6.860 5.678 5.424 1.00 0.00 H new ATOM 0 HG3 ARG P 2 8.166 5.850 6.580 1.00 0.00 H new ATOM 0 HD2 ARG P 2 7.623 8.262 6.829 1.00 0.00 H new ATOM 0 HD3 ARG P 2 6.310 8.081 5.682 1.00 0.00 H new ATOM 0 HE ARG P 2 5.863 6.133 7.655 1.00 0.00 H new ATOM 0 HH11 ARG P 2 5.993 9.668 7.431 1.00 0.00 H new ATOM 0 HH12 ARG P 2 4.940 9.903 8.830 1.00 0.00 H new ATOM 0 HH21 ARG P 2 4.537 6.447 9.430 1.00 0.00 H new ATOM 0 HH22 ARG P 2 4.119 8.080 9.958 1.00 0.00 H new ATOM 37 N THR P 3 8.456 3.757 3.133 1.00 0.00 N ATOM 38 CA THR P 3 7.766 3.069 2.107 1.00 0.00 C ATOM 39 C THR P 3 6.458 2.540 2.618 1.00 0.00 C ATOM 40 O THR P 3 6.343 2.168 3.787 1.00 0.00 O ATOM 41 CB THR P 3 8.630 1.967 1.495 1.00 0.00 C ATOM 42 OG1 THR P 3 9.256 1.186 2.537 1.00 0.00 O ATOM 43 CG2 THR P 3 9.686 2.566 0.594 1.00 0.00 C ATOM 0 H THR P 3 8.776 3.176 3.908 1.00 0.00 H new ATOM 0 HA THR P 3 7.548 3.776 1.307 1.00 0.00 H new ATOM 0 HB THR P 3 7.990 1.315 0.901 1.00 0.00 H new ATOM 0 HG1 THR P 3 10.230 1.241 2.446 1.00 0.00 H new ATOM 0 HG21 THR P 3 10.293 1.769 0.165 1.00 0.00 H new ATOM 0 HG22 THR P 3 9.205 3.127 -0.208 1.00 0.00 H new ATOM 0 HG23 THR P 3 10.322 3.235 1.174 1.00 0.00 H new HETATM 51 N M3L P 4 5.467 2.572 1.785 1.00 0.00 N HETATM 52 CA M3L P 4 4.167 2.109 2.150 1.00 0.00 C HETATM 53 CB M3L P 4 3.362 3.237 2.796 1.00 0.00 C HETATM 54 CG M3L P 4 3.215 4.444 1.900 1.00 0.00 C HETATM 55 CD M3L P 4 1.844 5.054 1.979 1.00 0.00 C HETATM 56 CE M3L P 4 1.807 6.330 1.152 1.00 0.00 C HETATM 57 NZ M3L P 4 0.412 6.910 1.070 1.00 0.00 N HETATM 58 C M3L P 4 3.456 1.641 0.921 1.00 0.00 C HETATM 59 O M3L P 4 3.926 1.882 -0.209 1.00 0.00 O HETATM 60 CM1 M3L P 4 0.475 8.187 0.262 1.00 0.00 C HETATM 61 CM2 M3L P 4 -0.532 5.920 0.382 1.00 0.00 C HETATM 62 CM3 M3L P 4 -0.101 7.219 2.472 1.00 0.00 C HETATM 0 HM33 M3L P 4 -0.126 6.302 3.061 1.00 0.00 H new HETATM 0 HM32 M3L P 4 0.561 7.940 2.951 1.00 0.00 H new HETATM 0 HM31 M3L P 4 -1.106 7.636 2.408 1.00 0.00 H new HETATM 0 HM23 M3L P 4 -0.172 5.714 -0.626 1.00 0.00 H new HETATM 0 HM22 M3L P 4 -0.565 4.992 0.953 1.00 0.00 H new HETATM 0 HM21 M3L P 4 -1.533 6.349 0.329 1.00 0.00 H new HETATM 0 HM13 M3L P 4 1.145 8.894 0.751 1.00 0.00 H new HETATM 0 HM12 M3L P 4 0.847 7.967 -0.739 1.00 0.00 H new HETATM 0 HM11 M3L P 4 -0.522 8.622 0.191 1.00 0.00 H new HETATM 0 HG3 M3L P 4 3.958 5.191 2.177 1.00 0.00 H new HETATM 0 HG2 M3L P 4 3.422 4.155 0.870 1.00 0.00 H new HETATM 0 HE3 M3L P 4 2.481 7.066 1.590 1.00 0.00 H new HETATM 0 HE2 M3L P 4 2.173 6.122 0.147 1.00 0.00 H new HETATM 0 HD3 M3L P 4 1.099 4.348 1.612 1.00 0.00 H new HETATM 0 HD2 M3L P 4 1.591 5.273 3.016 1.00 0.00 H new HETATM 0 HB3 M3L P 4 2.372 2.865 3.060 1.00 0.00 H new HETATM 0 HB2 M3L P 4 3.848 3.537 3.724 1.00 0.00 H new HETATM 0 HA M3L P 4 4.267 1.292 2.865 1.00 0.00 H new ATOM 82 N GLN P 5 2.371 0.984 1.134 1.00 0.00 N ATOM 83 CA GLN P 5 1.515 0.507 0.110 1.00 0.00 C ATOM 84 C GLN P 5 0.239 0.115 0.775 1.00 0.00 C ATOM 85 O GLN P 5 0.238 -0.786 1.624 1.00 0.00 O ATOM 86 CB GLN P 5 2.085 -0.717 -0.567 1.00 0.00 C ATOM 87 CG GLN P 5 1.309 -1.070 -1.803 1.00 0.00 C ATOM 88 CD GLN P 5 1.616 -2.429 -2.326 1.00 0.00 C ATOM 89 OE1 GLN P 5 2.715 -2.956 -2.152 1.00 0.00 O ATOM 90 NE2 GLN P 5 0.670 -2.986 -2.998 1.00 0.00 N ATOM 0 H GLN P 5 2.042 0.755 2.072 1.00 0.00 H new ATOM 0 HA GLN P 5 1.383 1.281 -0.646 1.00 0.00 H new ATOM 0 HB2 GLN P 5 3.128 -0.538 -0.829 1.00 0.00 H new ATOM 0 HB3 GLN P 5 2.071 -1.558 0.126 1.00 0.00 H new ATOM 0 HG2 GLN P 5 0.243 -1.005 -1.585 1.00 0.00 H new ATOM 0 HG3 GLN P 5 1.521 -0.334 -2.579 1.00 0.00 H new ATOM 0 HE21 GLN P 5 -0.223 -2.508 -3.114 1.00 0.00 H new ATOM 0 HE22 GLN P 5 0.814 -3.906 -3.415 1.00 0.00 H new ATOM 99 N THR P 6 -0.810 0.791 0.462 1.00 0.00 N ATOM 100 CA THR P 6 -2.079 0.478 1.022 1.00 0.00 C ATOM 101 C THR P 6 -2.563 -0.851 0.431 1.00 0.00 C ATOM 102 O THR P 6 -2.873 -1.802 1.162 1.00 0.00 O ATOM 103 CB THR P 6 -3.067 1.597 0.688 1.00 0.00 C ATOM 104 OG1 THR P 6 -2.448 2.867 0.989 1.00 0.00 O ATOM 105 CG2 THR P 6 -4.347 1.446 1.492 1.00 0.00 C ATOM 0 H THR P 6 -0.814 1.576 -0.189 1.00 0.00 H new ATOM 0 HA THR P 6 -2.004 0.386 2.106 1.00 0.00 H new ATOM 0 HB THR P 6 -3.324 1.544 -0.370 1.00 0.00 H new ATOM 0 HG1 THR P 6 -3.071 3.593 0.777 1.00 0.00 H new ATOM 0 HG21 THR P 6 -5.034 2.253 1.237 1.00 0.00 H new ATOM 0 HG22 THR P 6 -4.811 0.488 1.260 1.00 0.00 H new ATOM 0 HG23 THR P 6 -4.115 1.489 2.556 1.00 0.00 H new ATOM 113 N ALA P 7 -2.547 -0.923 -0.890 1.00 0.00 N ATOM 114 CA ALA P 7 -3.003 -2.075 -1.624 1.00 0.00 C ATOM 115 C ALA P 7 -2.645 -1.862 -3.085 1.00 0.00 C ATOM 116 O ALA P 7 -1.600 -1.286 -3.382 1.00 0.00 O ATOM 117 CB ALA P 7 -4.520 -2.214 -1.453 1.00 0.00 C ATOM 0 H ALA P 7 -2.210 -0.166 -1.485 1.00 0.00 H new ATOM 0 HA ALA P 7 -2.533 -2.988 -1.258 1.00 0.00 H new ATOM 0 HB1 ALA P 7 -4.870 -3.085 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA P 7 -4.757 -2.337 -0.396 1.00 0.00 H new ATOM 0 HB3 ALA P 7 -5.013 -1.319 -1.834 1.00 0.00 H new ATOM 123 N ARG P 8 -3.495 -2.348 -3.966 1.00 0.00 N ATOM 124 CA ARG P 8 -3.389 -2.184 -5.391 1.00 0.00 C ATOM 125 C ARG P 8 -2.235 -2.952 -6.023 1.00 0.00 C ATOM 126 O ARG P 8 -1.111 -2.452 -6.176 1.00 0.00 O ATOM 127 CB ARG P 8 -3.467 -0.709 -5.849 1.00 0.00 C ATOM 128 CG ARG P 8 -3.404 -0.552 -7.353 1.00 0.00 C ATOM 129 CD ARG P 8 -3.573 0.891 -7.807 1.00 0.00 C ATOM 130 NE ARG P 8 -3.361 1.001 -9.255 1.00 0.00 N ATOM 131 CZ ARG P 8 -4.020 1.807 -10.109 1.00 0.00 C ATOM 132 NH1 ARG P 8 -4.979 2.612 -9.686 1.00 0.00 N ATOM 133 NH2 ARG P 8 -3.703 1.793 -11.399 1.00 0.00 N ATOM 0 H ARG P 8 -4.313 -2.891 -3.690 1.00 0.00 H new ATOM 0 HA ARG P 8 -4.286 -2.660 -5.787 1.00 0.00 H new ATOM 0 HB2 ARG P 8 -4.394 -0.269 -5.482 1.00 0.00 H new ATOM 0 HB3 ARG P 8 -2.648 -0.150 -5.396 1.00 0.00 H new ATOM 0 HG2 ARG P 8 -2.447 -0.931 -7.713 1.00 0.00 H new ATOM 0 HG3 ARG P 8 -4.181 -1.164 -7.810 1.00 0.00 H new ATOM 0 HD2 ARG P 8 -4.572 1.244 -7.552 1.00 0.00 H new ATOM 0 HD3 ARG P 8 -2.864 1.530 -7.280 1.00 0.00 H new ATOM 0 HE ARG P 8 -2.638 0.404 -9.657 1.00 0.00 H new ATOM 0 HH11 ARG P 8 -5.231 2.630 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG P 8 -5.467 3.215 -10.348 1.00 0.00 H new ATOM 0 HH21 ARG P 8 -2.965 1.175 -11.736 1.00 0.00 H new ATOM 0 HH22 ARG P 8 -4.197 2.401 -12.052 1.00 0.00 H new ATOM 147 N LYS P 9 -2.516 -4.191 -6.308 1.00 0.00 N ATOM 148 CA LYS P 9 -1.657 -5.022 -7.083 1.00 0.00 C ATOM 149 C LYS P 9 -2.527 -5.669 -8.135 1.00 0.00 C ATOM 150 O LYS P 9 -3.035 -6.775 -7.967 1.00 0.00 O ATOM 151 CB LYS P 9 -0.894 -6.066 -6.233 1.00 0.00 C ATOM 152 CG LYS P 9 0.023 -6.994 -7.045 1.00 0.00 C ATOM 153 CD LYS P 9 1.061 -6.207 -7.842 1.00 0.00 C ATOM 154 CE LYS P 9 1.907 -7.115 -8.726 1.00 0.00 C ATOM 155 NZ LYS P 9 2.741 -8.046 -7.944 1.00 0.00 N ATOM 0 H LYS P 9 -3.369 -4.657 -5.998 1.00 0.00 H new ATOM 0 HA LYS P 9 -0.868 -4.424 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS P 9 -0.294 -5.543 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS P 9 -1.618 -6.674 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS P 9 0.529 -7.686 -6.371 1.00 0.00 H new ATOM 0 HG3 LYS P 9 -0.579 -7.596 -7.726 1.00 0.00 H new ATOM 0 HD2 LYS P 9 0.557 -5.465 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS P 9 1.709 -5.662 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS P 9 1.254 -7.685 -9.387 1.00 0.00 H new ATOM 0 HE3 LYS P 9 2.548 -6.504 -9.361 1.00 0.00 H new ATOM 0 HZ1 LYS P 9 3.347 -8.594 -8.588 1.00 0.00 H new ATOM 0 HZ2 LYS P 9 3.337 -7.507 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS P 9 2.129 -8.694 -7.409 1.00 0.00 H new ATOM 169 N SER P 10 -2.790 -4.918 -9.162 1.00 0.00 N ATOM 170 CA SER P 10 -3.661 -5.345 -10.197 1.00 0.00 C ATOM 171 C SER P 10 -2.853 -5.960 -11.322 1.00 0.00 C ATOM 172 O SER P 10 -2.325 -5.257 -12.201 1.00 0.00 O ATOM 173 CB SER P 10 -4.479 -4.160 -10.683 1.00 0.00 C ATOM 174 OG SER P 10 -5.070 -3.480 -9.575 1.00 0.00 O ATOM 0 H SER P 10 -2.399 -3.986 -9.299 1.00 0.00 H new ATOM 0 HA SER P 10 -4.347 -6.105 -9.823 1.00 0.00 H new ATOM 0 HB2 SER P 10 -3.842 -3.474 -11.242 1.00 0.00 H new ATOM 0 HB3 SER P 10 -5.257 -4.502 -11.366 1.00 0.00 H new ATOM 0 HG SER P 10 -5.593 -2.718 -9.900 1.00 0.00 H new ATOM 180 N THR P 11 -2.688 -7.247 -11.255 1.00 0.00 N ATOM 181 CA THR P 11 -1.938 -7.956 -12.233 1.00 0.00 C ATOM 182 C THR P 11 -2.873 -8.383 -13.375 1.00 0.00 C ATOM 183 O THR P 11 -3.404 -9.507 -13.393 1.00 0.00 O ATOM 184 CB THR P 11 -1.255 -9.191 -11.594 1.00 0.00 C ATOM 185 OG1 THR P 11 -0.640 -8.798 -10.347 1.00 0.00 O ATOM 186 CG2 THR P 11 -0.179 -9.750 -12.514 1.00 0.00 C ATOM 0 H THR P 11 -3.074 -7.833 -10.514 1.00 0.00 H new ATOM 0 HA THR P 11 -1.158 -7.309 -12.634 1.00 0.00 H new ATOM 0 HB THR P 11 -2.011 -9.958 -11.426 1.00 0.00 H new ATOM 0 HG1 THR P 11 -0.207 -9.576 -9.936 1.00 0.00 H new ATOM 0 HG21 THR P 11 0.287 -10.616 -12.045 1.00 0.00 H new ATOM 0 HG22 THR P 11 -0.629 -10.048 -13.461 1.00 0.00 H new ATOM 0 HG23 THR P 11 0.577 -8.986 -12.696 1.00 0.00 H new ATOM 194 N GLY P 12 -3.159 -7.454 -14.256 1.00 0.00 N ATOM 195 CA GLY P 12 -4.033 -7.736 -15.368 1.00 0.00 C ATOM 196 C GLY P 12 -3.365 -7.468 -16.685 1.00 0.00 C ATOM 197 O GLY P 12 -3.571 -8.202 -17.661 1.00 0.00 O ATOM 0 H GLY P 12 -2.800 -6.500 -14.224 1.00 0.00 H new ATOM 0 HA2 GLY P 12 -4.349 -8.778 -15.326 1.00 0.00 H new ATOM 0 HA3 GLY P 12 -4.933 -7.127 -15.286 1.00 0.00 H new ATOM 201 N GLY P 13 -2.589 -6.418 -16.730 1.00 0.00 N ATOM 202 CA GLY P 13 -1.878 -6.071 -17.904 1.00 0.00 C ATOM 203 C GLY P 13 -1.426 -4.659 -17.807 1.00 0.00 C ATOM 204 O GLY P 13 -1.201 -4.193 -16.675 1.00 0.00 O ATOM 205 OXT GLY P 13 -1.316 -3.976 -18.835 1.00 0.00 O ATOM 0 H GLY P 13 -2.440 -5.785 -15.944 1.00 0.00 H new ATOM 0 HA2 GLY P 13 -1.020 -6.731 -18.032 1.00 0.00 H new ATOM 0 HA3 GLY P 13 -2.514 -6.202 -18.780 1.00 0.00 H new TER 209 GLY P 13 ATOM 210 N GLY A 850 1.675 27.827 -14.782 1.00 0.00 N ATOM 211 CA GLY A 850 3.001 28.217 -14.322 1.00 0.00 C ATOM 212 C GLY A 850 3.049 28.296 -12.822 1.00 0.00 C ATOM 213 O GLY A 850 2.664 29.324 -12.246 1.00 0.00 O ATOM 0 HA2 GLY A 850 3.739 27.497 -14.676 1.00 0.00 H new ATOM 0 HA3 GLY A 850 3.268 29.183 -14.749 1.00 0.00 H new ATOM 219 N SER A 851 3.509 27.209 -12.200 1.00 0.00 N ATOM 220 CA SER A 851 3.588 27.036 -10.751 1.00 0.00 C ATOM 221 C SER A 851 2.184 26.870 -10.141 1.00 0.00 C ATOM 222 O SER A 851 1.189 27.450 -10.624 1.00 0.00 O ATOM 223 CB SER A 851 4.378 28.172 -10.064 1.00 0.00 C ATOM 224 OG SER A 851 4.618 27.873 -8.702 1.00 0.00 O ATOM 0 H SER A 851 3.849 26.395 -12.712 1.00 0.00 H new ATOM 0 HA SER A 851 4.147 26.119 -10.566 1.00 0.00 H new ATOM 0 HB2 SER A 851 5.327 28.323 -10.579 1.00 0.00 H new ATOM 0 HB3 SER A 851 3.821 29.106 -10.142 1.00 0.00 H new ATOM 0 HG SER A 851 5.121 28.606 -8.290 1.00 0.00 H new ATOM 230 N HIS A 852 2.087 26.076 -9.109 1.00 0.00 N ATOM 231 CA HIS A 852 0.808 25.835 -8.490 1.00 0.00 C ATOM 232 C HIS A 852 0.648 26.706 -7.274 1.00 0.00 C ATOM 233 O HIS A 852 -0.278 27.515 -7.217 1.00 0.00 O ATOM 234 CB HIS A 852 0.606 24.352 -8.124 1.00 0.00 C ATOM 235 CG HIS A 852 0.700 23.417 -9.291 1.00 0.00 C ATOM 236 ND1 HIS A 852 -0.412 23.007 -9.978 1.00 0.00 N ATOM 237 CD2 HIS A 852 1.790 22.851 -9.842 1.00 0.00 C ATOM 238 CE1 HIS A 852 0.034 22.202 -10.933 1.00 0.00 C ATOM 239 NE2 HIS A 852 1.357 22.082 -10.887 1.00 0.00 N ATOM 0 H HIS A 852 2.872 25.587 -8.680 1.00 0.00 H new ATOM 0 HA HIS A 852 0.039 26.091 -9.219 1.00 0.00 H new ATOM 0 HB2 HIS A 852 1.352 24.067 -7.382 1.00 0.00 H new ATOM 0 HB3 HIS A 852 -0.371 24.234 -7.655 1.00 0.00 H new ATOM 0 HD2 HIS A 852 2.813 22.980 -9.520 1.00 0.00 H new ATOM 0 HE1 HIS A 852 -0.597 21.707 -11.656 1.00 0.00 H new ATOM 0 HE2 HIS A 852 1.938 21.523 -11.512 1.00 0.00 H new ATOM 247 N MET A 853 1.583 26.565 -6.327 1.00 0.00 N ATOM 248 CA MET A 853 1.567 27.277 -5.038 1.00 0.00 C ATOM 249 C MET A 853 0.204 27.134 -4.370 1.00 0.00 C ATOM 250 O MET A 853 -0.640 28.037 -4.411 1.00 0.00 O ATOM 251 CB MET A 853 1.968 28.760 -5.161 1.00 0.00 C ATOM 252 CG MET A 853 2.097 29.466 -3.807 1.00 0.00 C ATOM 253 SD MET A 853 2.443 31.234 -3.946 1.00 0.00 S ATOM 254 CE MET A 853 0.946 31.808 -4.751 1.00 0.00 C ATOM 0 H MET A 853 2.385 25.944 -6.434 1.00 0.00 H new ATOM 0 HA MET A 853 2.324 26.809 -4.409 1.00 0.00 H new ATOM 0 HB2 MET A 853 2.918 28.830 -5.692 1.00 0.00 H new ATOM 0 HB3 MET A 853 1.226 29.281 -5.766 1.00 0.00 H new ATOM 0 HG2 MET A 853 1.174 29.328 -3.245 1.00 0.00 H new ATOM 0 HG3 MET A 853 2.894 28.992 -3.233 1.00 0.00 H new ATOM 0 HE1 MET A 853 0.827 32.878 -4.578 1.00 0.00 H new ATOM 0 HE2 MET A 853 1.014 31.619 -5.822 1.00 0.00 H new ATOM 0 HE3 MET A 853 0.086 31.277 -4.342 1.00 0.00 H new ATOM 264 N ALA A 854 -0.038 25.985 -3.834 1.00 0.00 N ATOM 265 CA ALA A 854 -1.316 25.697 -3.256 1.00 0.00 C ATOM 266 C ALA A 854 -1.220 25.490 -1.794 1.00 0.00 C ATOM 267 O ALA A 854 -1.678 26.305 -0.984 1.00 0.00 O ATOM 268 CB ALA A 854 -1.931 24.461 -3.907 1.00 0.00 C ATOM 0 H ALA A 854 0.636 25.221 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.956 26.561 -3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -2.902 24.257 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -2.057 24.637 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -1.273 23.605 -3.756 1.00 0.00 H new ATOM 274 N MET A 855 -0.590 24.435 -1.490 1.00 0.00 N ATOM 275 CA MET A 855 -0.509 23.873 -0.174 1.00 0.00 C ATOM 276 C MET A 855 0.439 22.679 -0.264 1.00 0.00 C ATOM 277 O MET A 855 1.285 22.627 -1.173 1.00 0.00 O ATOM 278 CB MET A 855 -1.942 23.423 0.247 1.00 0.00 C ATOM 279 CG MET A 855 -2.593 22.429 -0.727 1.00 0.00 C ATOM 280 SD MET A 855 -4.332 22.077 -0.374 1.00 0.00 S ATOM 281 CE MET A 855 -4.219 21.271 1.223 1.00 0.00 C ATOM 0 H MET A 855 -0.077 23.890 -2.183 1.00 0.00 H new ATOM 0 HA MET A 855 -0.138 24.582 0.566 1.00 0.00 H new ATOM 0 HB2 MET A 855 -1.894 22.968 1.236 1.00 0.00 H new ATOM 0 HB3 MET A 855 -2.579 24.304 0.332 1.00 0.00 H new ATOM 0 HG2 MET A 855 -2.512 22.824 -1.740 1.00 0.00 H new ATOM 0 HG3 MET A 855 -2.033 21.494 -0.704 1.00 0.00 H new ATOM 0 HE1 MET A 855 -5.199 20.888 1.507 1.00 0.00 H new ATOM 0 HE2 MET A 855 -3.509 20.446 1.165 1.00 0.00 H new ATOM 0 HE3 MET A 855 -3.880 21.989 1.970 1.00 0.00 H new ATOM 291 N ALA A 856 0.291 21.739 0.627 1.00 0.00 N ATOM 292 CA ALA A 856 1.095 20.544 0.618 1.00 0.00 C ATOM 293 C ALA A 856 0.558 19.604 -0.445 1.00 0.00 C ATOM 294 O ALA A 856 -0.499 19.868 -1.044 1.00 0.00 O ATOM 295 CB ALA A 856 1.067 19.868 1.982 1.00 0.00 C ATOM 0 H ALA A 856 -0.392 21.778 1.383 1.00 0.00 H new ATOM 0 HA ALA A 856 2.130 20.804 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 856 1.680 18.967 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 856 1.460 20.551 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 856 0.041 19.601 2.235 1.00 0.00 H new ATOM 301 N TYR A 857 1.221 18.517 -0.664 1.00 0.00 N ATOM 302 CA TYR A 857 0.782 17.561 -1.657 1.00 0.00 C ATOM 303 C TYR A 857 -0.230 16.584 -1.081 1.00 0.00 C ATOM 304 O TYR A 857 -0.040 15.373 -1.093 1.00 0.00 O ATOM 305 CB TYR A 857 1.934 16.825 -2.294 1.00 0.00 C ATOM 306 CG TYR A 857 2.822 17.670 -3.190 1.00 0.00 C ATOM 307 CD1 TYR A 857 2.402 18.052 -4.458 1.00 0.00 C ATOM 308 CD2 TYR A 857 4.080 18.073 -2.777 1.00 0.00 C ATOM 309 CE1 TYR A 857 3.203 18.810 -5.279 1.00 0.00 C ATOM 310 CE2 TYR A 857 4.892 18.835 -3.593 1.00 0.00 C ATOM 311 CZ TYR A 857 4.447 19.199 -4.845 1.00 0.00 C ATOM 312 OH TYR A 857 5.243 19.963 -5.662 1.00 0.00 O ATOM 0 H TYR A 857 2.075 18.257 -0.171 1.00 0.00 H new ATOM 0 HA TYR A 857 0.291 18.135 -2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 857 2.548 16.391 -1.505 1.00 0.00 H new ATOM 0 HB3 TYR A 857 1.536 15.997 -2.880 1.00 0.00 H new ATOM 0 HD1 TYR A 857 1.426 17.747 -4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 857 4.433 17.786 -1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 857 2.856 19.098 -6.260 1.00 0.00 H new ATOM 0 HE2 TYR A 857 5.869 19.144 -3.252 1.00 0.00 H new ATOM 0 HH TYR A 857 6.090 20.154 -5.208 1.00 0.00 H new ATOM 322 N VAL A 858 -1.280 17.142 -0.568 1.00 0.00 N ATOM 323 CA VAL A 858 -2.396 16.420 0.004 1.00 0.00 C ATOM 324 C VAL A 858 -3.669 17.106 -0.451 1.00 0.00 C ATOM 325 O VAL A 858 -3.747 18.342 -0.457 1.00 0.00 O ATOM 326 CB VAL A 858 -2.400 16.413 1.581 1.00 0.00 C ATOM 327 CG1 VAL A 858 -3.553 15.567 2.133 1.00 0.00 C ATOM 328 CG2 VAL A 858 -1.085 15.927 2.158 1.00 0.00 C ATOM 0 H VAL A 858 -1.398 18.154 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 858 -2.318 15.385 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 858 -2.541 17.449 1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -3.527 15.583 3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -4.502 15.975 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -3.451 14.540 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -1.138 15.941 3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -0.892 14.910 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 858 -0.278 16.580 1.826 1.00 0.00 H new ATOM 338 N ILE A 859 -4.604 16.331 -0.895 1.00 0.00 N ATOM 339 CA ILE A 859 -5.935 16.785 -1.233 1.00 0.00 C ATOM 340 C ILE A 859 -6.865 15.747 -0.692 1.00 0.00 C ATOM 341 O ILE A 859 -6.403 14.696 -0.235 1.00 0.00 O ATOM 342 CB ILE A 859 -6.195 16.896 -2.777 1.00 0.00 C ATOM 343 CG1 ILE A 859 -6.025 15.532 -3.471 1.00 0.00 C ATOM 344 CG2 ILE A 859 -5.305 17.944 -3.415 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.383 15.531 -4.942 1.00 0.00 C ATOM 0 H ILE A 859 -4.469 15.331 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 859 -6.076 17.784 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 859 -7.229 17.214 -2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.990 15.208 -3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.645 14.797 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -5.511 17.995 -4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -5.503 18.915 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -4.260 17.677 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -6.235 14.532 -5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.427 15.821 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.746 16.239 -5.472 1.00 0.00 H new ATOM 357 N ARG A 860 -8.126 15.997 -0.696 1.00 0.00 N ATOM 358 CA ARG A 860 -9.024 14.947 -0.347 1.00 0.00 C ATOM 359 C ARG A 860 -9.724 14.548 -1.615 1.00 0.00 C ATOM 360 O ARG A 860 -9.839 15.365 -2.538 1.00 0.00 O ATOM 361 CB ARG A 860 -10.046 15.329 0.743 1.00 0.00 C ATOM 362 CG ARG A 860 -11.178 16.212 0.271 1.00 0.00 C ATOM 363 CD ARG A 860 -12.259 16.319 1.329 1.00 0.00 C ATOM 364 NE ARG A 860 -13.488 16.889 0.780 1.00 0.00 N ATOM 365 CZ ARG A 860 -14.720 16.382 0.983 1.00 0.00 C ATOM 366 NH1 ARG A 860 -14.905 15.384 1.870 1.00 0.00 N ATOM 367 NH2 ARG A 860 -15.763 16.889 0.328 1.00 0.00 N ATOM 0 H ARG A 860 -8.554 16.893 -0.930 1.00 0.00 H new ATOM 0 HA ARG A 860 -8.455 14.126 0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -10.467 14.415 1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -9.521 15.837 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -10.796 17.205 0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -11.602 15.807 -0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -12.466 15.331 1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -11.904 16.939 2.152 1.00 0.00 H new ATOM 0 HE ARG A 860 -13.408 17.727 0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -14.111 15.010 2.390 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -15.839 15.003 2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -15.629 17.660 -0.326 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -16.696 16.506 0.481 1.00 0.00 H new ATOM 381 N ASP A 861 -10.127 13.333 -1.711 1.00 0.00 N ATOM 382 CA ASP A 861 -10.864 12.893 -2.872 1.00 0.00 C ATOM 383 C ASP A 861 -12.352 12.987 -2.572 1.00 0.00 C ATOM 384 O ASP A 861 -12.753 13.495 -1.512 1.00 0.00 O ATOM 385 CB ASP A 861 -10.506 11.455 -3.232 1.00 0.00 C ATOM 386 CG ASP A 861 -11.045 10.480 -2.236 1.00 0.00 C ATOM 387 OD1 ASP A 861 -10.601 10.473 -1.100 1.00 0.00 O ATOM 388 OD2 ASP A 861 -11.962 9.774 -2.560 1.00 0.00 O ATOM 0 H ASP A 861 -9.966 12.614 -1.006 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.606 13.530 -3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -10.900 11.219 -4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -9.422 11.354 -3.289 1.00 0.00 H new ATOM 393 N GLU A 862 -13.152 12.469 -3.468 1.00 0.00 N ATOM 394 CA GLU A 862 -14.590 12.505 -3.351 1.00 0.00 C ATOM 395 C GLU A 862 -15.108 11.653 -2.177 1.00 0.00 C ATOM 396 O GLU A 862 -16.157 11.970 -1.587 1.00 0.00 O ATOM 397 CB GLU A 862 -15.224 12.075 -4.671 1.00 0.00 C ATOM 398 CG GLU A 862 -14.783 10.705 -5.154 1.00 0.00 C ATOM 399 CD GLU A 862 -15.344 10.377 -6.501 1.00 0.00 C ATOM 400 OE1 GLU A 862 -16.495 9.894 -6.577 1.00 0.00 O ATOM 401 OE2 GLU A 862 -14.652 10.613 -7.517 1.00 0.00 O ATOM 0 H GLU A 862 -12.820 12.003 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.882 13.532 -3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.308 12.077 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -14.982 12.813 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -13.694 10.669 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -15.099 9.949 -4.436 1.00 0.00 H new ATOM 408 N TRP A 863 -14.381 10.603 -1.815 1.00 0.00 N ATOM 409 CA TRP A 863 -14.792 9.736 -0.740 1.00 0.00 C ATOM 410 C TRP A 863 -14.368 10.312 0.585 1.00 0.00 C ATOM 411 O TRP A 863 -14.995 10.049 1.617 1.00 0.00 O ATOM 412 CB TRP A 863 -14.238 8.331 -0.916 1.00 0.00 C ATOM 413 CG TRP A 863 -14.621 7.711 -2.208 1.00 0.00 C ATOM 414 CD1 TRP A 863 -15.863 7.596 -2.690 1.00 0.00 C ATOM 415 CD2 TRP A 863 -13.757 7.101 -3.162 1.00 0.00 C ATOM 416 NE1 TRP A 863 -15.845 6.957 -3.902 1.00 0.00 N ATOM 417 CE2 TRP A 863 -14.558 6.646 -4.217 1.00 0.00 C ATOM 418 CE3 TRP A 863 -12.387 6.906 -3.226 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -14.029 6.005 -5.327 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -11.856 6.272 -4.322 1.00 0.00 C ATOM 421 CH2 TRP A 863 -12.675 5.828 -5.361 1.00 0.00 C ATOM 0 H TRP A 863 -13.501 10.338 -2.258 1.00 0.00 H new ATOM 0 HA TRP A 863 -15.880 9.666 -0.761 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -13.151 8.364 -0.844 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -14.592 7.702 -0.099 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -16.753 7.955 -2.195 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -16.663 6.748 -4.475 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -11.747 7.247 -2.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -14.662 5.660 -6.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -10.789 6.115 -4.381 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -12.228 5.333 -6.211 1.00 0.00 H new ATOM 432 N GLY A 864 -13.319 11.101 0.557 1.00 0.00 N ATOM 433 CA GLY A 864 -12.876 11.780 1.748 1.00 0.00 C ATOM 434 C GLY A 864 -11.619 11.192 2.339 1.00 0.00 C ATOM 435 O GLY A 864 -11.468 11.130 3.568 1.00 0.00 O ATOM 0 H GLY A 864 -12.760 11.287 -0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -12.702 12.831 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -13.670 11.746 2.494 1.00 0.00 H new ATOM 439 N ASN A 865 -10.732 10.750 1.499 1.00 0.00 N ATOM 440 CA ASN A 865 -9.460 10.210 1.939 1.00 0.00 C ATOM 441 C ASN A 865 -8.400 11.253 1.698 1.00 0.00 C ATOM 442 O ASN A 865 -8.598 12.155 0.877 1.00 0.00 O ATOM 443 CB ASN A 865 -9.077 8.948 1.137 1.00 0.00 C ATOM 444 CG ASN A 865 -10.163 7.893 1.088 1.00 0.00 C ATOM 445 OD1 ASN A 865 -10.263 7.041 1.971 1.00 0.00 O ATOM 446 ND2 ASN A 865 -10.978 7.932 0.064 1.00 0.00 N ATOM 0 H ASN A 865 -10.860 10.749 0.487 1.00 0.00 H new ATOM 0 HA ASN A 865 -9.540 9.945 2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -8.824 9.241 0.118 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -8.180 8.511 1.575 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -11.725 7.242 -0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -10.866 8.652 -0.650 1.00 0.00 H new ATOM 453 N GLN A 866 -7.301 11.174 2.415 1.00 0.00 N ATOM 454 CA GLN A 866 -6.191 12.046 2.141 1.00 0.00 C ATOM 455 C GLN A 866 -5.399 11.480 1.011 1.00 0.00 C ATOM 456 O GLN A 866 -4.807 10.398 1.118 1.00 0.00 O ATOM 457 CB GLN A 866 -5.297 12.294 3.353 1.00 0.00 C ATOM 458 CG GLN A 866 -5.880 13.265 4.354 1.00 0.00 C ATOM 459 CD GLN A 866 -4.980 13.518 5.552 1.00 0.00 C ATOM 460 OE1 GLN A 866 -3.683 13.442 5.362 1.00 0.00 O flip ATOM 461 NE2 GLN A 866 -5.461 13.807 6.651 1.00 0.00 N flip ATOM 0 H GLN A 866 -7.157 10.520 3.184 1.00 0.00 H new ATOM 0 HA GLN A 866 -6.599 13.020 1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -5.106 11.344 3.852 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -4.334 12.674 3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -6.080 14.213 3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -6.838 12.881 4.705 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -6.473 13.858 6.767 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -4.847 13.995 7.443 1.00 0.00 H new ATOM 470 N ILE A 867 -5.426 12.164 -0.066 1.00 0.00 N ATOM 471 CA ILE A 867 -4.748 11.752 -1.231 1.00 0.00 C ATOM 472 C ILE A 867 -3.495 12.560 -1.354 1.00 0.00 C ATOM 473 O ILE A 867 -3.550 13.785 -1.411 1.00 0.00 O ATOM 474 CB ILE A 867 -5.607 11.987 -2.492 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.975 11.297 -2.390 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.870 11.541 -3.739 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.928 9.789 -2.208 1.00 0.00 C ATOM 0 H ILE A 867 -5.931 13.045 -0.165 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.532 10.687 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.789 13.059 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.521 11.731 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.545 11.520 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.496 11.717 -4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -3.943 12.107 -3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.640 10.478 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -7.944 9.398 -2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.415 9.336 -3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -6.391 9.550 -1.290 1.00 0.00 H new ATOM 489 N TRP A 868 -2.387 11.900 -1.343 1.00 0.00 N ATOM 490 CA TRP A 868 -1.140 12.564 -1.557 1.00 0.00 C ATOM 491 C TRP A 868 -0.895 12.704 -3.031 1.00 0.00 C ATOM 492 O TRP A 868 -1.415 11.927 -3.828 1.00 0.00 O ATOM 493 CB TRP A 868 0.020 11.848 -0.870 1.00 0.00 C ATOM 494 CG TRP A 868 0.133 12.147 0.599 1.00 0.00 C ATOM 495 CD1 TRP A 868 0.983 13.043 1.168 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.624 11.571 1.679 1.00 0.00 C ATOM 497 NE1 TRP A 868 0.824 13.049 2.533 1.00 0.00 N ATOM 498 CE2 TRP A 868 -0.160 12.161 2.871 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.642 10.617 1.753 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -0.676 11.825 4.118 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -2.154 10.287 2.991 1.00 0.00 C ATOM 502 CH2 TRP A 868 -1.673 10.888 4.157 1.00 0.00 C ATOM 0 H TRP A 868 -2.316 10.894 -1.187 1.00 0.00 H new ATOM 0 HA TRP A 868 -1.199 13.555 -1.106 1.00 0.00 H new ATOM 0 HB2 TRP A 868 -0.098 10.773 -1.004 1.00 0.00 H new ATOM 0 HB3 TRP A 868 0.951 12.130 -1.361 1.00 0.00 H new ATOM 0 HD1 TRP A 868 1.683 13.661 0.625 1.00 0.00 H new ATOM 0 HE1 TRP A 868 1.354 13.623 3.188 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -2.021 10.147 0.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -0.304 12.286 5.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.941 9.551 3.060 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -2.097 10.607 5.110 1.00 0.00 H new ATOM 513 N ILE A 869 -0.189 13.705 -3.387 1.00 0.00 N ATOM 514 CA ILE A 869 0.144 13.969 -4.758 1.00 0.00 C ATOM 515 C ILE A 869 1.641 13.774 -4.916 1.00 0.00 C ATOM 516 O ILE A 869 2.400 14.303 -4.129 1.00 0.00 O ATOM 517 CB ILE A 869 -0.237 15.436 -5.152 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.734 15.737 -4.896 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.128 15.740 -6.599 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.704 14.876 -5.685 1.00 0.00 C ATOM 0 H ILE A 869 0.189 14.388 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.410 13.292 -5.408 1.00 0.00 H new ATOM 0 HB ILE A 869 0.348 16.092 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -1.939 15.608 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -1.925 16.784 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 869 -0.151 16.767 -6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.202 15.615 -6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.405 15.057 -7.260 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.727 15.161 -5.438 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.534 15.021 -6.752 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.548 13.827 -5.432 1.00 0.00 H new ATOM 532 N CYS A 870 2.048 12.990 -5.892 1.00 0.00 N ATOM 533 CA CYS A 870 3.445 12.770 -6.149 1.00 0.00 C ATOM 534 C CYS A 870 4.040 14.046 -6.709 1.00 0.00 C ATOM 535 O CYS A 870 3.573 14.546 -7.737 1.00 0.00 O ATOM 536 CB CYS A 870 3.608 11.630 -7.170 1.00 0.00 C ATOM 537 SG CYS A 870 5.314 11.204 -7.686 1.00 0.00 S ATOM 0 H CYS A 870 1.420 12.493 -6.523 1.00 0.00 H new ATOM 0 HA CYS A 870 3.956 12.495 -5.226 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.148 10.734 -6.752 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.041 11.893 -8.063 1.00 0.00 H new ATOM 0 HG CYS A 870 5.271 10.363 -8.677 1.00 0.00 H new ATOM 542 N PRO A 871 5.068 14.610 -6.063 1.00 0.00 N ATOM 543 CA PRO A 871 5.736 15.796 -6.566 1.00 0.00 C ATOM 544 C PRO A 871 6.505 15.506 -7.863 1.00 0.00 C ATOM 545 O PRO A 871 7.009 16.432 -8.520 1.00 0.00 O ATOM 546 CB PRO A 871 6.702 16.194 -5.439 1.00 0.00 C ATOM 547 CG PRO A 871 6.238 15.433 -4.242 1.00 0.00 C ATOM 548 CD PRO A 871 5.621 14.177 -4.771 1.00 0.00 C ATOM 0 HA PRO A 871 5.028 16.587 -6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.731 15.939 -5.693 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.675 17.268 -5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 871 7.070 15.209 -3.575 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.515 16.012 -3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.358 13.383 -4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.846 13.795 -4.106 1.00 0.00 H new ATOM 556 N GLY A 872 6.579 14.236 -8.237 1.00 0.00 N ATOM 557 CA GLY A 872 7.262 13.853 -9.434 1.00 0.00 C ATOM 558 C GLY A 872 6.437 14.134 -10.674 1.00 0.00 C ATOM 559 O GLY A 872 6.868 14.885 -11.555 1.00 0.00 O ATOM 0 H GLY A 872 6.168 13.461 -7.716 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.208 14.390 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.501 12.790 -9.391 1.00 0.00 H new ATOM 563 N CYS A 873 5.243 13.597 -10.726 1.00 0.00 N ATOM 564 CA CYS A 873 4.403 13.709 -11.904 1.00 0.00 C ATOM 565 C CYS A 873 3.249 14.690 -11.695 1.00 0.00 C ATOM 566 O CYS A 873 2.636 15.163 -12.676 1.00 0.00 O ATOM 567 CB CYS A 873 3.840 12.343 -12.140 1.00 0.00 C ATOM 568 SG CYS A 873 3.126 11.669 -10.630 1.00 0.00 S ATOM 0 H CYS A 873 4.823 13.071 -9.959 1.00 0.00 H new ATOM 0 HA CYS A 873 4.990 14.079 -12.744 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.078 12.389 -12.918 1.00 0.00 H new ATOM 0 HB3 CYS A 873 4.625 11.680 -12.503 1.00 0.00 H new ATOM 573 N ASN A 874 2.957 14.946 -10.417 1.00 0.00 N ATOM 574 CA ASN A 874 1.840 15.767 -9.940 1.00 0.00 C ATOM 575 C ASN A 874 0.538 14.936 -10.010 1.00 0.00 C ATOM 576 O ASN A 874 -0.575 15.455 -9.980 1.00 0.00 O ATOM 577 CB ASN A 874 1.755 17.150 -10.672 1.00 0.00 C ATOM 578 CG ASN A 874 0.768 18.151 -10.046 1.00 0.00 C ATOM 579 OD1 ASN A 874 1.116 18.882 -9.122 1.00 0.00 O ATOM 580 ND2 ASN A 874 -0.427 18.242 -10.585 1.00 0.00 N ATOM 0 H ASN A 874 3.518 14.570 -9.652 1.00 0.00 H new ATOM 0 HA ASN A 874 2.007 16.035 -8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 874 2.748 17.600 -10.685 1.00 0.00 H new ATOM 0 HB3 ASN A 874 1.468 16.979 -11.710 1.00 0.00 H new ATOM 0 HD21 ASN A 874 -1.092 18.933 -10.237 1.00 0.00 H new ATOM 0 HD22 ASN A 874 -0.689 17.622 -11.351 1.00 0.00 H new ATOM 587 N LYS A 875 0.696 13.617 -10.056 1.00 0.00 N ATOM 588 CA LYS A 875 -0.424 12.711 -10.049 1.00 0.00 C ATOM 589 C LYS A 875 -0.670 12.189 -8.631 1.00 0.00 C ATOM 590 O LYS A 875 0.266 12.044 -7.839 1.00 0.00 O ATOM 591 CB LYS A 875 -0.215 11.554 -11.025 1.00 0.00 C ATOM 592 CG LYS A 875 -0.141 11.979 -12.475 1.00 0.00 C ATOM 593 CD LYS A 875 -0.005 10.775 -13.370 1.00 0.00 C ATOM 594 CE LYS A 875 0.055 11.162 -14.834 1.00 0.00 C ATOM 595 NZ LYS A 875 0.030 9.975 -15.713 1.00 0.00 N ATOM 0 H LYS A 875 1.605 13.157 -10.099 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.306 13.260 -10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.705 11.032 -10.762 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -1.031 10.841 -10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -1.037 12.539 -12.742 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.708 12.647 -12.622 1.00 0.00 H new ATOM 0 HD2 LYS A 875 0.897 10.224 -13.103 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -0.848 10.104 -13.206 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.787 11.811 -15.074 1.00 0.00 H new ATOM 0 HE3 LYS A 875 0.963 11.735 -15.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 0.072 10.278 -16.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 0.848 9.369 -15.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -0.848 9.441 -15.551 1.00 0.00 H new ATOM 609 N PRO A 876 -1.925 11.918 -8.296 1.00 0.00 N ATOM 610 CA PRO A 876 -2.328 11.508 -6.955 1.00 0.00 C ATOM 611 C PRO A 876 -2.061 10.044 -6.595 1.00 0.00 C ATOM 612 O PRO A 876 -1.807 9.183 -7.445 1.00 0.00 O ATOM 613 CB PRO A 876 -3.826 11.759 -6.971 1.00 0.00 C ATOM 614 CG PRO A 876 -4.212 11.492 -8.365 1.00 0.00 C ATOM 615 CD PRO A 876 -3.083 12.012 -9.196 1.00 0.00 C ATOM 0 HA PRO A 876 -1.753 12.056 -6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.349 11.100 -6.278 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -4.063 12.782 -6.679 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.365 10.426 -8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -5.148 11.992 -8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -2.940 11.416 -10.098 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -3.260 13.039 -9.517 1.00 0.00 H new ATOM 623 N ASP A 877 -2.114 9.811 -5.313 1.00 0.00 N ATOM 624 CA ASP A 877 -2.009 8.507 -4.689 1.00 0.00 C ATOM 625 C ASP A 877 -3.276 7.701 -4.911 1.00 0.00 C ATOM 626 O ASP A 877 -4.393 8.250 -4.900 1.00 0.00 O ATOM 627 CB ASP A 877 -1.761 8.680 -3.177 1.00 0.00 C ATOM 628 CG ASP A 877 -2.067 7.435 -2.370 1.00 0.00 C ATOM 629 OD1 ASP A 877 -1.495 6.371 -2.657 1.00 0.00 O ATOM 630 OD2 ASP A 877 -2.909 7.514 -1.434 1.00 0.00 O ATOM 0 H ASP A 877 -2.238 10.561 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.175 7.970 -5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.720 8.961 -3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.373 9.503 -2.808 1.00 0.00 H new ATOM 635 N ASP A 878 -3.120 6.419 -5.102 1.00 0.00 N ATOM 636 CA ASP A 878 -4.254 5.541 -5.297 1.00 0.00 C ATOM 637 C ASP A 878 -4.137 4.343 -4.348 1.00 0.00 C ATOM 638 O ASP A 878 -4.781 3.307 -4.521 1.00 0.00 O ATOM 639 CB ASP A 878 -4.310 5.081 -6.753 1.00 0.00 C ATOM 640 CG ASP A 878 -5.673 4.563 -7.128 1.00 0.00 C ATOM 641 OD1 ASP A 878 -6.586 5.392 -7.307 1.00 0.00 O ATOM 642 OD2 ASP A 878 -5.856 3.340 -7.300 1.00 0.00 O ATOM 0 H ASP A 878 -2.214 5.952 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 878 -5.178 6.075 -5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -4.046 5.912 -7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -3.568 4.299 -6.915 1.00 0.00 H new ATOM 647 N GLY A 879 -3.322 4.508 -3.321 1.00 0.00 N ATOM 648 CA GLY A 879 -3.085 3.457 -2.361 1.00 0.00 C ATOM 649 C GLY A 879 -1.965 2.582 -2.834 1.00 0.00 C ATOM 650 O GLY A 879 -1.843 1.424 -2.436 1.00 0.00 O ATOM 0 H GLY A 879 -2.811 5.371 -3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -2.838 3.887 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -3.990 2.864 -2.226 1.00 0.00 H new ATOM 654 N SER A 880 -1.128 3.161 -3.649 1.00 0.00 N ATOM 655 CA SER A 880 -0.078 2.461 -4.341 1.00 0.00 C ATOM 656 C SER A 880 1.240 2.525 -3.540 1.00 0.00 C ATOM 657 O SER A 880 1.320 3.255 -2.538 1.00 0.00 O ATOM 658 CB SER A 880 0.084 3.147 -5.693 1.00 0.00 C ATOM 659 OG SER A 880 -1.185 3.275 -6.316 1.00 0.00 O ATOM 0 H SER A 880 -1.157 4.159 -3.857 1.00 0.00 H new ATOM 0 HA SER A 880 -0.327 1.407 -4.463 1.00 0.00 H new ATOM 0 HB2 SER A 880 0.537 4.130 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 880 0.755 2.569 -6.328 1.00 0.00 H new ATOM 0 HG SER A 880 -1.080 3.718 -7.184 1.00 0.00 H new ATOM 665 N PRO A 881 2.270 1.725 -3.923 1.00 0.00 N ATOM 666 CA PRO A 881 3.580 1.810 -3.299 1.00 0.00 C ATOM 667 C PRO A 881 4.215 3.175 -3.569 1.00 0.00 C ATOM 668 O PRO A 881 4.423 3.569 -4.730 1.00 0.00 O ATOM 669 CB PRO A 881 4.403 0.705 -3.974 1.00 0.00 C ATOM 670 CG PRO A 881 3.429 -0.187 -4.643 1.00 0.00 C ATOM 671 CD PRO A 881 2.226 0.658 -4.958 1.00 0.00 C ATOM 0 HA PRO A 881 3.528 1.692 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.103 1.127 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 881 4.993 0.156 -3.240 1.00 0.00 H new ATOM 0 HG2 PRO A 881 3.853 -0.613 -5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.159 -1.022 -3.996 1.00 0.00 H new ATOM 0 HD2 PRO A 881 2.279 1.073 -5.965 1.00 0.00 H new ATOM 0 HD3 PRO A 881 1.303 0.080 -4.900 1.00 0.00 H new ATOM 679 N MET A 882 4.466 3.910 -2.519 1.00 0.00 N ATOM 680 CA MET A 882 5.062 5.227 -2.638 1.00 0.00 C ATOM 681 C MET A 882 6.215 5.318 -1.679 1.00 0.00 C ATOM 682 O MET A 882 6.328 4.484 -0.755 1.00 0.00 O ATOM 683 CB MET A 882 4.047 6.342 -2.327 1.00 0.00 C ATOM 684 CG MET A 882 2.764 6.260 -3.126 1.00 0.00 C ATOM 685 SD MET A 882 1.664 7.671 -2.878 1.00 0.00 S ATOM 686 CE MET A 882 2.577 8.983 -3.682 1.00 0.00 C ATOM 0 H MET A 882 4.267 3.622 -1.561 1.00 0.00 H new ATOM 0 HA MET A 882 5.399 5.364 -3.665 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.802 6.308 -1.265 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.517 7.307 -2.515 1.00 0.00 H new ATOM 0 HG2 MET A 882 3.010 6.184 -4.185 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.235 5.346 -2.855 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.496 9.897 -3.093 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.626 8.698 -3.767 1.00 0.00 H new ATOM 0 HE3 MET A 882 2.167 9.155 -4.677 1.00 0.00 H new ATOM 696 N ILE A 883 7.067 6.288 -1.874 1.00 0.00 N ATOM 697 CA ILE A 883 8.200 6.464 -1.013 1.00 0.00 C ATOM 698 C ILE A 883 8.254 7.897 -0.492 1.00 0.00 C ATOM 699 O ILE A 883 8.029 8.864 -1.236 1.00 0.00 O ATOM 700 CB ILE A 883 9.538 6.041 -1.697 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.697 6.072 -0.694 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.851 6.937 -2.899 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.957 5.422 -1.213 1.00 0.00 C ATOM 0 H ILE A 883 6.995 6.972 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 883 8.075 5.797 -0.160 1.00 0.00 H new ATOM 0 HB ILE A 883 9.418 5.019 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.913 7.108 -0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.388 5.569 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.788 6.619 -3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 883 9.046 6.859 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 883 9.941 7.972 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.736 5.480 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.757 4.377 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.289 5.940 -2.113 1.00 0.00 H new ATOM 715 N GLY A 884 8.443 8.001 0.790 1.00 0.00 N ATOM 716 CA GLY A 884 8.548 9.254 1.451 1.00 0.00 C ATOM 717 C GLY A 884 9.988 9.652 1.571 1.00 0.00 C ATOM 718 O GLY A 884 10.804 8.870 2.110 1.00 0.00 O ATOM 0 H GLY A 884 8.529 7.197 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 884 7.997 10.014 0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 884 8.096 9.191 2.441 1.00 0.00 H new ATOM 722 N CYS A 885 10.318 10.804 1.023 1.00 0.00 N ATOM 723 CA CYS A 885 11.647 11.367 1.115 1.00 0.00 C ATOM 724 C CYS A 885 11.953 11.629 2.575 1.00 0.00 C ATOM 725 O CYS A 885 11.092 12.114 3.310 1.00 0.00 O ATOM 726 CB CYS A 885 11.683 12.686 0.291 1.00 0.00 C ATOM 727 SG CYS A 885 13.222 13.698 0.362 1.00 0.00 S ATOM 0 H CYS A 885 9.663 11.381 0.496 1.00 0.00 H new ATOM 0 HA CYS A 885 12.397 10.685 0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.495 12.435 -0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.854 13.312 0.623 1.00 0.00 H new ATOM 732 N ASP A 886 13.154 11.310 2.995 1.00 0.00 N ATOM 733 CA ASP A 886 13.562 11.547 4.366 1.00 0.00 C ATOM 734 C ASP A 886 13.758 13.029 4.631 1.00 0.00 C ATOM 735 O ASP A 886 13.967 13.444 5.776 1.00 0.00 O ATOM 736 CB ASP A 886 14.840 10.786 4.721 1.00 0.00 C ATOM 737 CG ASP A 886 14.653 9.302 4.880 1.00 0.00 C ATOM 738 OD1 ASP A 886 14.112 8.858 5.907 1.00 0.00 O ATOM 739 OD2 ASP A 886 15.081 8.535 4.006 1.00 0.00 O ATOM 0 H ASP A 886 13.871 10.884 2.407 1.00 0.00 H new ATOM 0 HA ASP A 886 12.757 11.176 5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 886 15.583 10.966 3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 886 15.244 11.191 5.649 1.00 0.00 H new ATOM 744 N ASP A 887 13.733 13.833 3.582 1.00 0.00 N ATOM 745 CA ASP A 887 13.859 15.263 3.750 1.00 0.00 C ATOM 746 C ASP A 887 12.531 15.941 3.523 1.00 0.00 C ATOM 747 O ASP A 887 12.013 16.611 4.417 1.00 0.00 O ATOM 748 CB ASP A 887 14.899 15.865 2.827 1.00 0.00 C ATOM 749 CG ASP A 887 15.084 17.341 3.090 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.917 17.701 3.927 1.00 0.00 O ATOM 751 OD2 ASP A 887 14.401 18.178 2.467 1.00 0.00 O ATOM 0 H ASP A 887 13.628 13.521 2.617 1.00 0.00 H new ATOM 0 HA ASP A 887 14.188 15.430 4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 887 15.849 15.348 2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.598 15.714 1.790 1.00 0.00 H new ATOM 756 N CYS A 888 11.972 15.775 2.323 1.00 0.00 N ATOM 757 CA CYS A 888 10.666 16.397 2.002 1.00 0.00 C ATOM 758 C CYS A 888 9.561 15.849 2.895 1.00 0.00 C ATOM 759 O CYS A 888 8.615 16.565 3.240 1.00 0.00 O ATOM 760 CB CYS A 888 10.257 16.152 0.539 1.00 0.00 C ATOM 761 SG CYS A 888 11.375 16.805 -0.711 1.00 0.00 S ATOM 0 H CYS A 888 12.384 15.230 1.566 1.00 0.00 H new ATOM 0 HA CYS A 888 10.791 17.467 2.170 1.00 0.00 H new ATOM 0 HB2 CYS A 888 10.159 15.077 0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 888 9.271 16.588 0.380 1.00 0.00 H new ATOM 766 N ASP A 889 9.684 14.559 3.220 1.00 0.00 N ATOM 767 CA ASP A 889 8.694 13.805 4.008 1.00 0.00 C ATOM 768 C ASP A 889 7.393 13.695 3.203 1.00 0.00 C ATOM 769 O ASP A 889 6.324 13.346 3.712 1.00 0.00 O ATOM 770 CB ASP A 889 8.477 14.448 5.401 1.00 0.00 C ATOM 771 CG ASP A 889 7.622 13.607 6.318 1.00 0.00 C ATOM 772 OD1 ASP A 889 8.113 12.570 6.810 1.00 0.00 O ATOM 773 OD2 ASP A 889 6.441 13.947 6.549 1.00 0.00 O ATOM 0 H ASP A 889 10.487 13.996 2.940 1.00 0.00 H new ATOM 0 HA ASP A 889 9.066 12.798 4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 889 9.446 14.616 5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 889 8.010 15.425 5.274 1.00 0.00 H new ATOM 778 N ASP A 890 7.521 13.939 1.910 1.00 0.00 N ATOM 779 CA ASP A 890 6.384 13.938 1.032 1.00 0.00 C ATOM 780 C ASP A 890 6.393 12.652 0.243 1.00 0.00 C ATOM 781 O ASP A 890 7.404 11.922 0.260 1.00 0.00 O ATOM 782 CB ASP A 890 6.405 15.142 0.103 1.00 0.00 C ATOM 783 CG ASP A 890 5.014 15.666 -0.142 1.00 0.00 C ATOM 784 OD1 ASP A 890 4.177 14.925 -0.655 1.00 0.00 O ATOM 785 OD2 ASP A 890 4.730 16.830 0.272 1.00 0.00 O ATOM 0 H ASP A 890 8.410 14.140 1.452 1.00 0.00 H new ATOM 0 HA ASP A 890 5.469 14.006 1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 890 7.022 15.929 0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 890 6.864 14.864 -0.846 1.00 0.00 H new ATOM 790 N TRP A 891 5.338 12.390 -0.476 1.00 0.00 N ATOM 791 CA TRP A 891 5.167 11.098 -1.097 1.00 0.00 C ATOM 792 C TRP A 891 5.292 11.111 -2.594 1.00 0.00 C ATOM 793 O TRP A 891 4.447 11.637 -3.290 1.00 0.00 O ATOM 794 CB TRP A 891 3.853 10.457 -0.655 1.00 0.00 C ATOM 795 CG TRP A 891 3.874 10.111 0.783 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.400 10.844 1.814 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.448 8.951 1.351 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.648 10.201 2.990 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.291 9.041 2.735 1.00 0.00 C ATOM 800 CE3 TRP A 891 5.081 7.849 0.819 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.747 8.067 3.599 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.539 6.880 1.666 1.00 0.00 C ATOM 803 CH2 TRP A 891 5.372 6.992 3.051 1.00 0.00 C ATOM 0 H TRP A 891 4.581 13.051 -0.649 1.00 0.00 H new ATOM 0 HA TRP A 891 5.999 10.487 -0.747 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.028 11.142 -0.853 1.00 0.00 H new ATOM 0 HB3 TRP A 891 3.670 9.558 -1.244 1.00 0.00 H new ATOM 0 HD1 TRP A 891 2.900 11.797 1.720 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.389 10.542 3.916 1.00 0.00 H new ATOM 0 HE3 TRP A 891 5.213 7.753 -0.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.613 8.155 4.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 6.038 6.013 1.260 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.746 6.210 3.695 1.00 0.00 H new ATOM 814 N TYR A 892 6.346 10.497 -3.071 1.00 0.00 N ATOM 815 CA TYR A 892 6.588 10.336 -4.486 1.00 0.00 C ATOM 816 C TYR A 892 6.213 8.912 -4.877 1.00 0.00 C ATOM 817 O TYR A 892 6.269 7.996 -4.031 1.00 0.00 O ATOM 818 CB TYR A 892 8.075 10.495 -4.800 1.00 0.00 C ATOM 819 CG TYR A 892 8.715 11.861 -4.595 1.00 0.00 C ATOM 820 CD1 TYR A 892 9.253 12.236 -3.370 1.00 0.00 C ATOM 821 CD2 TYR A 892 8.851 12.740 -5.664 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.910 13.442 -3.220 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.491 13.953 -5.518 1.00 0.00 C ATOM 824 CZ TYR A 892 10.024 14.297 -4.302 1.00 0.00 C ATOM 825 OH TYR A 892 10.697 15.487 -4.168 1.00 0.00 O ATOM 0 H TYR A 892 7.071 10.089 -2.481 1.00 0.00 H new ATOM 0 HA TYR A 892 6.006 11.084 -5.024 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.622 9.777 -4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.227 10.210 -5.841 1.00 0.00 H new ATOM 0 HD1 TYR A 892 9.156 11.574 -2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.447 12.467 -6.628 1.00 0.00 H new ATOM 0 HE1 TYR A 892 10.332 13.716 -2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.572 14.628 -6.357 1.00 0.00 H new ATOM 0 HH TYR A 892 11.504 15.348 -3.630 1.00 0.00 H new ATOM 835 N HIS A 893 5.836 8.706 -6.118 1.00 0.00 N ATOM 836 CA HIS A 893 5.590 7.353 -6.600 1.00 0.00 C ATOM 837 C HIS A 893 6.911 6.706 -6.985 1.00 0.00 C ATOM 838 O HIS A 893 7.902 7.389 -7.263 1.00 0.00 O ATOM 839 CB HIS A 893 4.639 7.284 -7.811 1.00 0.00 C ATOM 840 CG HIS A 893 3.232 7.726 -7.581 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.729 8.827 -8.223 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.252 7.158 -6.832 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.447 8.911 -7.849 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.122 7.924 -7.013 1.00 0.00 N ATOM 0 H HIS A 893 5.693 9.442 -6.809 1.00 0.00 H new ATOM 0 HA HIS A 893 5.104 6.823 -5.781 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.061 7.893 -8.611 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.619 6.255 -8.170 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.341 6.277 -6.214 1.00 0.00 H new ATOM 0 HE1 HIS A 893 0.764 9.679 -8.181 1.00 0.00 H new ATOM 0 HE2 HIS A 893 0.208 7.766 -6.588 1.00 0.00 H new ATOM 852 N TRP A 894 6.907 5.404 -7.034 1.00 0.00 N ATOM 853 CA TRP A 894 8.088 4.628 -7.354 1.00 0.00 C ATOM 854 C TRP A 894 8.605 4.845 -8.792 1.00 0.00 C ATOM 855 O TRP A 894 9.779 5.220 -8.961 1.00 0.00 O ATOM 856 CB TRP A 894 7.879 3.147 -7.045 1.00 0.00 C ATOM 857 CG TRP A 894 7.866 2.824 -5.588 1.00 0.00 C ATOM 858 CD1 TRP A 894 7.905 3.702 -4.540 1.00 0.00 C ATOM 859 CD2 TRP A 894 7.830 1.523 -5.019 1.00 0.00 C ATOM 860 NE1 TRP A 894 7.895 3.015 -3.356 1.00 0.00 N ATOM 861 CE2 TRP A 894 7.846 1.676 -3.624 1.00 0.00 C ATOM 862 CE3 TRP A 894 7.785 0.236 -5.556 1.00 0.00 C ATOM 863 CZ2 TRP A 894 7.815 0.597 -2.765 1.00 0.00 C ATOM 864 CZ3 TRP A 894 7.754 -0.839 -4.699 1.00 0.00 C ATOM 865 CH2 TRP A 894 7.769 -0.655 -3.318 1.00 0.00 C ATOM 0 H TRP A 894 6.078 4.838 -6.852 1.00 0.00 H new ATOM 0 HA TRP A 894 8.878 5.004 -6.703 1.00 0.00 H new ATOM 0 HB2 TRP A 894 6.936 2.825 -7.486 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.669 2.571 -7.527 1.00 0.00 H new ATOM 0 HD1 TRP A 894 7.939 4.777 -4.633 1.00 0.00 H new ATOM 0 HE1 TRP A 894 7.920 3.434 -2.426 1.00 0.00 H new ATOM 0 HE3 TRP A 894 7.775 0.087 -6.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 7.827 0.735 -1.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 7.718 -1.840 -5.102 1.00 0.00 H new ATOM 0 HH2 TRP A 894 7.744 -1.518 -2.670 1.00 0.00 H new ATOM 876 N PRO A 895 7.758 4.658 -9.860 1.00 0.00 N ATOM 877 CA PRO A 895 8.204 4.834 -11.259 1.00 0.00 C ATOM 878 C PRO A 895 8.603 6.281 -11.579 1.00 0.00 C ATOM 879 O PRO A 895 9.283 6.555 -12.579 1.00 0.00 O ATOM 880 CB PRO A 895 6.969 4.437 -12.088 1.00 0.00 C ATOM 881 CG PRO A 895 5.821 4.610 -11.161 1.00 0.00 C ATOM 882 CD PRO A 895 6.337 4.227 -9.813 1.00 0.00 C ATOM 0 HA PRO A 895 9.092 4.238 -11.469 1.00 0.00 H new ATOM 0 HB2 PRO A 895 6.864 5.069 -12.970 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.042 3.408 -12.440 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.464 5.640 -11.167 1.00 0.00 H new ATOM 0 HG3 PRO A 895 4.981 3.980 -11.454 1.00 0.00 H new ATOM 0 HD2 PRO A 895 5.790 4.729 -9.015 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.247 3.155 -9.637 1.00 0.00 H new ATOM 890 N CYS A 896 8.195 7.185 -10.732 1.00 0.00 N ATOM 891 CA CYS A 896 8.449 8.578 -10.908 1.00 0.00 C ATOM 892 C CYS A 896 9.847 8.953 -10.429 1.00 0.00 C ATOM 893 O CYS A 896 10.519 9.781 -11.040 1.00 0.00 O ATOM 894 CB CYS A 896 7.390 9.334 -10.142 1.00 0.00 C ATOM 895 SG CYS A 896 5.724 8.779 -10.557 1.00 0.00 S ATOM 0 H CYS A 896 7.668 6.965 -9.887 1.00 0.00 H new ATOM 0 HA CYS A 896 8.407 8.835 -11.966 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.558 9.208 -9.072 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.480 10.399 -10.355 1.00 0.00 H new ATOM 900 N VAL A 897 10.288 8.341 -9.354 1.00 0.00 N ATOM 901 CA VAL A 897 11.599 8.663 -8.820 1.00 0.00 C ATOM 902 C VAL A 897 12.660 7.655 -9.204 1.00 0.00 C ATOM 903 O VAL A 897 13.843 7.984 -9.255 1.00 0.00 O ATOM 904 CB VAL A 897 11.585 8.863 -7.298 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.751 10.072 -6.950 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.070 7.621 -6.578 1.00 0.00 C ATOM 0 H VAL A 897 9.772 7.629 -8.837 1.00 0.00 H new ATOM 0 HA VAL A 897 11.864 9.613 -9.284 1.00 0.00 H new ATOM 0 HB VAL A 897 12.609 9.030 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.744 10.210 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.175 10.956 -7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 897 9.731 9.924 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.073 7.797 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.054 7.405 -6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.715 6.773 -6.809 1.00 0.00 H new ATOM 916 N GLY A 898 12.255 6.450 -9.497 1.00 0.00 N ATOM 917 CA GLY A 898 13.217 5.439 -9.851 1.00 0.00 C ATOM 918 C GLY A 898 13.359 4.386 -8.779 1.00 0.00 C ATOM 919 O GLY A 898 14.423 3.789 -8.612 1.00 0.00 O ATOM 0 H GLY A 898 11.282 6.145 -9.499 1.00 0.00 H new ATOM 0 HA2 GLY A 898 12.916 4.965 -10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.185 5.907 -10.028 1.00 0.00 H new ATOM 923 N ILE A 899 12.306 4.169 -8.041 1.00 0.00 N ATOM 924 CA ILE A 899 12.296 3.141 -7.023 1.00 0.00 C ATOM 925 C ILE A 899 11.561 1.929 -7.582 1.00 0.00 C ATOM 926 O ILE A 899 10.503 2.076 -8.191 1.00 0.00 O ATOM 927 CB ILE A 899 11.618 3.646 -5.705 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.474 4.719 -5.019 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.339 2.499 -4.734 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.786 4.221 -4.472 1.00 0.00 C ATOM 0 H ILE A 899 11.434 4.692 -8.122 1.00 0.00 H new ATOM 0 HA ILE A 899 13.321 2.873 -6.765 1.00 0.00 H new ATOM 0 HB ILE A 899 10.663 4.088 -5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.673 5.517 -5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.899 5.157 -4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 899 10.868 2.892 -3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 899 10.673 1.777 -5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.276 2.010 -4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.323 5.047 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.600 3.445 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.386 3.810 -5.284 1.00 0.00 H new ATOM 942 N MET A 900 12.162 0.768 -7.475 1.00 0.00 N ATOM 943 CA MET A 900 11.543 -0.460 -7.946 1.00 0.00 C ATOM 944 C MET A 900 11.186 -1.367 -6.784 1.00 0.00 C ATOM 945 O MET A 900 10.280 -2.197 -6.884 1.00 0.00 O ATOM 946 CB MET A 900 12.473 -1.184 -8.915 1.00 0.00 C ATOM 947 CG MET A 900 12.795 -0.382 -10.162 1.00 0.00 C ATOM 948 SD MET A 900 11.332 -0.005 -11.165 1.00 0.00 S ATOM 949 CE MET A 900 10.810 -1.648 -11.646 1.00 0.00 C ATOM 0 H MET A 900 13.087 0.642 -7.063 1.00 0.00 H new ATOM 0 HA MET A 900 10.623 -0.198 -8.469 1.00 0.00 H new ATOM 0 HB2 MET A 900 13.402 -1.428 -8.400 1.00 0.00 H new ATOM 0 HB3 MET A 900 12.014 -2.128 -9.209 1.00 0.00 H new ATOM 0 HG2 MET A 900 13.279 0.551 -9.872 1.00 0.00 H new ATOM 0 HG3 MET A 900 13.511 -0.937 -10.769 1.00 0.00 H new ATOM 0 HE1 MET A 900 10.125 -1.579 -12.491 1.00 0.00 H new ATOM 0 HE2 MET A 900 11.681 -2.237 -11.932 1.00 0.00 H new ATOM 0 HE3 MET A 900 10.305 -2.129 -10.808 1.00 0.00 H new ATOM 959 N ALA A 901 11.897 -1.218 -5.692 1.00 0.00 N ATOM 960 CA ALA A 901 11.656 -1.998 -4.506 1.00 0.00 C ATOM 961 C ALA A 901 11.772 -1.103 -3.300 1.00 0.00 C ATOM 962 O ALA A 901 12.554 -0.151 -3.307 1.00 0.00 O ATOM 963 CB ALA A 901 12.630 -3.163 -4.414 1.00 0.00 C ATOM 0 H ALA A 901 12.662 -0.549 -5.603 1.00 0.00 H new ATOM 0 HA ALA A 901 10.651 -2.418 -4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 901 12.427 -3.736 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 901 12.511 -3.806 -5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 901 13.651 -2.782 -4.381 1.00 0.00 H new ATOM 969 N ALA A 902 11.001 -1.398 -2.288 1.00 0.00 N ATOM 970 CA ALA A 902 10.934 -0.597 -1.085 1.00 0.00 C ATOM 971 C ALA A 902 12.167 -0.766 -0.214 1.00 0.00 C ATOM 972 O ALA A 902 12.408 -1.863 0.312 1.00 0.00 O ATOM 973 CB ALA A 902 9.704 -0.989 -0.280 1.00 0.00 C ATOM 0 H ALA A 902 10.390 -2.214 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 902 10.878 0.447 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 902 9.654 -0.385 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 902 8.809 -0.820 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 902 9.766 -2.043 -0.010 1.00 0.00 H new ATOM 979 N PRO A 903 12.976 0.284 -0.039 1.00 0.00 N ATOM 980 CA PRO A 903 14.073 0.218 0.867 1.00 0.00 C ATOM 981 C PRO A 903 13.576 0.496 2.290 1.00 0.00 C ATOM 982 O PRO A 903 12.509 1.130 2.477 1.00 0.00 O ATOM 983 CB PRO A 903 15.029 1.309 0.375 1.00 0.00 C ATOM 984 CG PRO A 903 14.194 2.282 -0.379 1.00 0.00 C ATOM 985 CD PRO A 903 12.880 1.608 -0.694 1.00 0.00 C ATOM 0 HA PRO A 903 14.561 -0.756 0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 903 15.531 1.793 1.212 1.00 0.00 H new ATOM 0 HB3 PRO A 903 15.806 0.887 -0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 903 14.030 3.184 0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.697 2.588 -1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 903 12.037 2.182 -0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.732 1.509 -1.769 1.00 0.00 H new ATOM 993 N PRO A 904 14.286 0.007 3.301 1.00 0.00 N ATOM 994 CA PRO A 904 13.890 0.205 4.672 1.00 0.00 C ATOM 995 C PRO A 904 14.027 1.660 5.088 1.00 0.00 C ATOM 996 O PRO A 904 14.843 2.411 4.511 1.00 0.00 O ATOM 997 CB PRO A 904 14.832 -0.684 5.492 1.00 0.00 C ATOM 998 CG PRO A 904 15.946 -1.070 4.585 1.00 0.00 C ATOM 999 CD PRO A 904 15.524 -0.767 3.172 1.00 0.00 C ATOM 0 HA PRO A 904 12.842 -0.052 4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 904 15.209 -0.149 6.364 1.00 0.00 H new ATOM 0 HB3 PRO A 904 14.309 -1.566 5.861 1.00 0.00 H new ATOM 0 HG2 PRO A 904 16.852 -0.519 4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 904 16.177 -2.130 4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 904 16.291 -0.199 2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 904 15.359 -1.683 2.605 1.00 0.00 H new ATOM 1007 N GLU A 905 13.252 2.052 6.088 1.00 0.00 N ATOM 1008 CA GLU A 905 13.251 3.418 6.603 1.00 0.00 C ATOM 1009 C GLU A 905 14.669 3.873 6.962 1.00 0.00 C ATOM 1010 O GLU A 905 15.105 4.947 6.554 1.00 0.00 O ATOM 1011 CB GLU A 905 12.307 3.531 7.817 1.00 0.00 C ATOM 1012 CG GLU A 905 12.630 2.559 8.948 1.00 0.00 C ATOM 1013 CD GLU A 905 11.729 2.709 10.139 1.00 0.00 C ATOM 1014 OE1 GLU A 905 11.979 3.598 10.979 1.00 0.00 O ATOM 1015 OE2 GLU A 905 10.782 1.918 10.281 1.00 0.00 O ATOM 0 H GLU A 905 12.602 1.430 6.569 1.00 0.00 H new ATOM 0 HA GLU A 905 12.883 4.080 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 905 12.350 4.549 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 905 11.283 3.359 7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 905 12.556 1.539 8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 905 13.663 2.709 9.262 1.00 0.00 H new ATOM 1022 N GLU A 906 15.398 2.975 7.606 1.00 0.00 N ATOM 1023 CA GLU A 906 16.737 3.215 8.114 1.00 0.00 C ATOM 1024 C GLU A 906 17.810 3.260 7.020 1.00 0.00 C ATOM 1025 O GLU A 906 18.914 3.740 7.257 1.00 0.00 O ATOM 1026 CB GLU A 906 17.066 2.176 9.191 1.00 0.00 C ATOM 1027 CG GLU A 906 16.874 0.731 8.746 1.00 0.00 C ATOM 1028 CD GLU A 906 17.062 -0.247 9.872 1.00 0.00 C ATOM 1029 OE1 GLU A 906 18.204 -0.656 10.144 1.00 0.00 O ATOM 1030 OE2 GLU A 906 16.068 -0.633 10.511 1.00 0.00 O ATOM 0 H GLU A 906 15.063 2.030 7.795 1.00 0.00 H new ATOM 0 HA GLU A 906 16.746 4.212 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 906 18.100 2.312 9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 906 16.439 2.362 10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 906 15.874 0.612 8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 906 17.581 0.503 7.949 1.00 0.00 H new ATOM 1037 N MET A 907 17.478 2.790 5.818 1.00 0.00 N ATOM 1038 CA MET A 907 18.437 2.824 4.690 1.00 0.00 C ATOM 1039 C MET A 907 18.516 4.217 4.137 1.00 0.00 C ATOM 1040 O MET A 907 19.532 4.668 3.601 1.00 0.00 O ATOM 1041 CB MET A 907 18.053 1.817 3.600 1.00 0.00 C ATOM 1042 CG MET A 907 18.890 1.897 2.335 1.00 0.00 C ATOM 1043 SD MET A 907 18.358 0.720 1.074 1.00 0.00 S ATOM 1044 CE MET A 907 19.445 1.169 -0.277 1.00 0.00 C ATOM 0 H MET A 907 16.570 2.385 5.592 1.00 0.00 H new ATOM 0 HA MET A 907 19.421 2.535 5.060 1.00 0.00 H new ATOM 0 HB2 MET A 907 18.135 0.810 4.010 1.00 0.00 H new ATOM 0 HB3 MET A 907 17.006 1.970 3.337 1.00 0.00 H new ATOM 0 HG2 MET A 907 18.834 2.907 1.930 1.00 0.00 H new ATOM 0 HG3 MET A 907 19.935 1.710 2.583 1.00 0.00 H new ATOM 0 HE1 MET A 907 19.241 0.530 -1.136 1.00 0.00 H new ATOM 0 HE2 MET A 907 19.275 2.210 -0.550 1.00 0.00 H new ATOM 0 HE3 MET A 907 20.482 1.040 0.032 1.00 0.00 H new ATOM 1054 N GLN A 908 17.455 4.868 4.368 1.00 0.00 N ATOM 1055 CA GLN A 908 17.153 6.210 3.965 1.00 0.00 C ATOM 1056 C GLN A 908 17.183 6.444 2.459 1.00 0.00 C ATOM 1057 O GLN A 908 17.761 5.671 1.684 1.00 0.00 O ATOM 1058 CB GLN A 908 17.970 7.222 4.722 1.00 0.00 C ATOM 1059 CG GLN A 908 17.704 7.195 6.212 1.00 0.00 C ATOM 1060 CD GLN A 908 18.390 8.307 6.940 1.00 0.00 C ATOM 1061 OE1 GLN A 908 19.529 8.164 7.385 1.00 0.00 O ATOM 1062 NE2 GLN A 908 17.714 9.413 7.076 1.00 0.00 N ATOM 0 H GLN A 908 16.687 4.451 4.895 1.00 0.00 H new ATOM 0 HA GLN A 908 16.109 6.359 4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 908 19.029 7.034 4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 908 17.753 8.218 4.337 1.00 0.00 H new ATOM 0 HG2 GLN A 908 16.630 7.260 6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 908 18.036 6.240 6.619 1.00 0.00 H new ATOM 0 HE21 GLN A 908 16.773 9.486 6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 908 18.126 10.206 7.568 1.00 0.00 H new ATOM 1071 N TRP A 909 16.535 7.498 2.057 1.00 0.00 N ATOM 1072 CA TRP A 909 16.398 7.850 0.678 1.00 0.00 C ATOM 1073 C TRP A 909 15.874 9.258 0.580 1.00 0.00 C ATOM 1074 O TRP A 909 14.983 9.675 1.338 1.00 0.00 O ATOM 1075 CB TRP A 909 15.440 6.879 -0.033 1.00 0.00 C ATOM 1076 CG TRP A 909 15.228 7.152 -1.486 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.929 6.639 -2.529 1.00 0.00 C ATOM 1078 CD2 TRP A 909 14.231 8.005 -2.051 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.420 7.115 -3.714 1.00 0.00 N ATOM 1080 CE2 TRP A 909 14.378 7.956 -3.439 1.00 0.00 C ATOM 1081 CE3 TRP A 909 13.228 8.805 -1.501 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.558 8.673 -4.290 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.419 9.518 -2.340 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.582 9.449 -3.721 1.00 0.00 C ATOM 0 H TRP A 909 16.078 8.150 2.695 1.00 0.00 H new ATOM 0 HA TRP A 909 17.371 7.786 0.192 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.825 5.865 0.078 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.474 6.910 0.472 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.763 5.958 -2.441 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.763 6.879 -4.645 1.00 0.00 H new ATOM 0 HE3 TRP A 909 13.094 8.859 -0.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.682 8.624 -5.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.642 10.144 -1.926 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.924 10.020 -4.359 1.00 0.00 H new ATOM 1095 N PHE A 910 16.409 9.970 -0.337 1.00 0.00 N ATOM 1096 CA PHE A 910 16.039 11.308 -0.589 1.00 0.00 C ATOM 1097 C PHE A 910 15.826 11.387 -2.073 1.00 0.00 C ATOM 1098 O PHE A 910 16.506 10.659 -2.826 1.00 0.00 O ATOM 1099 CB PHE A 910 17.170 12.261 -0.151 1.00 0.00 C ATOM 1100 CG PHE A 910 17.598 12.103 1.285 1.00 0.00 C ATOM 1101 CD1 PHE A 910 18.581 11.180 1.636 1.00 0.00 C ATOM 1102 CD2 PHE A 910 17.019 12.860 2.279 1.00 0.00 C ATOM 1103 CE1 PHE A 910 18.967 11.022 2.946 1.00 0.00 C ATOM 1104 CE2 PHE A 910 17.402 12.704 3.594 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.377 11.781 3.926 1.00 0.00 C ATOM 0 H PHE A 910 17.143 9.624 -0.955 1.00 0.00 H new ATOM 0 HA PHE A 910 15.145 11.599 -0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 910 18.035 12.099 -0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.844 13.289 -0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 910 19.046 10.580 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 910 16.258 13.583 2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 910 19.731 10.304 3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 910 16.941 13.303 4.365 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.674 11.657 4.957 1.00 0.00 H new ATOM 1115 N CYS A 911 14.886 12.193 -2.502 1.00 0.00 N ATOM 1116 CA CYS A 911 14.586 12.334 -3.909 1.00 0.00 C ATOM 1117 C CYS A 911 15.811 12.841 -4.694 1.00 0.00 C ATOM 1118 O CYS A 911 16.767 13.349 -4.089 1.00 0.00 O ATOM 1119 CB CYS A 911 13.379 13.278 -4.065 1.00 0.00 C ATOM 1120 SG CYS A 911 13.532 14.876 -3.215 1.00 0.00 S ATOM 0 H CYS A 911 14.308 12.769 -1.890 1.00 0.00 H new ATOM 0 HA CYS A 911 14.333 11.360 -4.327 1.00 0.00 H new ATOM 0 HB2 CYS A 911 13.218 13.463 -5.127 1.00 0.00 H new ATOM 0 HB3 CYS A 911 12.490 12.770 -3.692 1.00 0.00 H new ATOM 1125 N PRO A 912 15.814 12.714 -6.051 1.00 0.00 N ATOM 1126 CA PRO A 912 16.908 13.217 -6.920 1.00 0.00 C ATOM 1127 C PRO A 912 17.208 14.723 -6.723 1.00 0.00 C ATOM 1128 O PRO A 912 18.158 15.255 -7.279 1.00 0.00 O ATOM 1129 CB PRO A 912 16.392 12.960 -8.349 1.00 0.00 C ATOM 1130 CG PRO A 912 14.940 12.625 -8.196 1.00 0.00 C ATOM 1131 CD PRO A 912 14.801 11.999 -6.849 1.00 0.00 C ATOM 0 HA PRO A 912 17.848 12.716 -6.690 1.00 0.00 H new ATOM 0 HB2 PRO A 912 16.528 13.839 -8.979 1.00 0.00 H new ATOM 0 HB3 PRO A 912 16.936 12.142 -8.821 1.00 0.00 H new ATOM 0 HG2 PRO A 912 14.323 13.520 -8.276 1.00 0.00 H new ATOM 0 HG3 PRO A 912 14.613 11.941 -8.979 1.00 0.00 H new ATOM 0 HD2 PRO A 912 13.798 12.132 -6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.993 10.926 -6.880 1.00 0.00 H new ATOM 1139 N LYS A 913 16.371 15.387 -5.955 1.00 0.00 N ATOM 1140 CA LYS A 913 16.557 16.766 -5.604 1.00 0.00 C ATOM 1141 C LYS A 913 17.236 16.857 -4.222 1.00 0.00 C ATOM 1142 O LYS A 913 18.272 17.508 -4.065 1.00 0.00 O ATOM 1143 CB LYS A 913 15.203 17.480 -5.598 1.00 0.00 C ATOM 1144 CG LYS A 913 14.519 17.496 -6.968 1.00 0.00 C ATOM 1145 CD LYS A 913 13.111 18.089 -6.915 1.00 0.00 C ATOM 1146 CE LYS A 913 13.094 19.532 -6.420 1.00 0.00 C ATOM 1147 NZ LYS A 913 13.843 20.455 -7.300 1.00 0.00 N ATOM 0 H LYS A 913 15.531 14.971 -5.554 1.00 0.00 H new ATOM 0 HA LYS A 913 17.199 17.253 -6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 913 14.546 16.992 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 913 15.343 18.506 -5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 913 15.126 18.072 -7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 913 14.466 16.479 -7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 913 12.666 18.046 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 913 12.489 17.478 -6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 913 12.061 19.871 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 913 13.519 19.571 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 13.753 21.427 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 14.847 20.183 -7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 13.457 20.406 -8.264 1.00 0.00 H new ATOM 1161 N CYS A 914 16.687 16.148 -3.244 1.00 0.00 N ATOM 1162 CA CYS A 914 17.219 16.167 -1.897 1.00 0.00 C ATOM 1163 C CYS A 914 18.531 15.426 -1.739 1.00 0.00 C ATOM 1164 O CYS A 914 19.386 15.856 -0.996 1.00 0.00 O ATOM 1165 CB CYS A 914 16.168 15.729 -0.877 1.00 0.00 C ATOM 1166 SG CYS A 914 14.964 17.005 -0.549 1.00 0.00 S ATOM 0 H CYS A 914 15.869 15.551 -3.365 1.00 0.00 H new ATOM 0 HA CYS A 914 17.468 17.207 -1.688 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.658 14.838 -1.244 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.663 15.452 0.054 1.00 0.00 H new ATOM 1171 N ALA A 915 18.708 14.355 -2.458 1.00 0.00 N ATOM 1172 CA ALA A 915 19.945 13.603 -2.364 1.00 0.00 C ATOM 1173 C ALA A 915 21.060 14.328 -3.107 1.00 0.00 C ATOM 1174 O ALA A 915 22.250 14.145 -2.821 1.00 0.00 O ATOM 1175 CB ALA A 915 19.761 12.204 -2.907 1.00 0.00 C ATOM 0 H ALA A 915 18.023 13.978 -3.113 1.00 0.00 H new ATOM 0 HA ALA A 915 20.224 13.524 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 915 20.700 11.656 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.991 11.689 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 915 19.459 12.256 -3.953 1.00 0.00 H new ATOM 1181 N ASN A 916 20.648 15.179 -4.018 1.00 0.00 N ATOM 1182 CA ASN A 916 21.544 15.960 -4.864 1.00 0.00 C ATOM 1183 C ASN A 916 22.194 17.048 -4.044 1.00 0.00 C ATOM 1184 O ASN A 916 23.414 17.136 -3.971 1.00 0.00 O ATOM 1185 CB ASN A 916 20.743 16.613 -6.002 1.00 0.00 C ATOM 1186 CG ASN A 916 21.565 17.536 -6.902 1.00 0.00 C ATOM 1187 OD1 ASN A 916 22.742 17.295 -7.183 1.00 0.00 O ATOM 1188 ND2 ASN A 916 20.953 18.613 -7.333 1.00 0.00 N ATOM 0 H ASN A 916 19.661 15.357 -4.202 1.00 0.00 H new ATOM 0 HA ASN A 916 22.306 15.300 -5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 916 20.299 15.828 -6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 916 19.921 17.184 -5.571 1.00 0.00 H new ATOM 0 HD21 ASN A 916 21.451 19.282 -7.920 1.00 0.00 H new ATOM 0 HD22 ASN A 916 19.979 18.781 -7.082 1.00 0.00 H new ATOM 1195 N LYS A 917 21.357 17.813 -3.347 1.00 0.00 N ATOM 1196 CA LYS A 917 21.779 18.992 -2.574 1.00 0.00 C ATOM 1197 C LYS A 917 22.755 18.639 -1.438 1.00 0.00 C ATOM 1198 O LYS A 917 23.451 19.506 -0.912 1.00 0.00 O ATOM 1199 CB LYS A 917 20.546 19.729 -2.019 1.00 0.00 C ATOM 1200 CG LYS A 917 19.790 18.941 -0.968 1.00 0.00 C ATOM 1201 CD LYS A 917 18.485 19.601 -0.568 1.00 0.00 C ATOM 1202 CE LYS A 917 17.794 18.812 0.541 1.00 0.00 C ATOM 1203 NZ LYS A 917 16.439 19.333 0.839 1.00 0.00 N ATOM 0 H LYS A 917 20.354 17.635 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 917 22.318 19.649 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 917 20.864 20.679 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 917 19.871 19.961 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 917 19.585 17.940 -1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 917 20.419 18.824 -0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 917 18.676 20.620 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 917 17.827 19.671 -1.434 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.722 17.764 0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 917 18.403 18.850 1.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 16.409 19.684 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 16.215 20.110 0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 15.741 18.571 0.723 1.00 0.00 H new ATOM 1217 N ILE A 918 22.807 17.373 -1.070 1.00 0.00 N ATOM 1218 CA ILE A 918 23.687 16.924 -0.003 1.00 0.00 C ATOM 1219 C ILE A 918 25.129 16.786 -0.530 1.00 0.00 C ATOM 1220 O ILE A 918 26.095 16.875 0.226 1.00 0.00 O ATOM 1221 CB ILE A 918 23.219 15.551 0.578 1.00 0.00 C ATOM 1222 CG1 ILE A 918 21.728 15.606 0.937 1.00 0.00 C ATOM 1223 CG2 ILE A 918 24.042 15.177 1.817 1.00 0.00 C ATOM 1224 CD1 ILE A 918 21.167 14.308 1.500 1.00 0.00 C ATOM 0 H ILE A 918 22.248 16.633 -1.495 1.00 0.00 H new ATOM 0 HA ILE A 918 23.652 17.669 0.792 1.00 0.00 H new ATOM 0 HB ILE A 918 23.373 14.788 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 918 21.572 16.401 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 918 21.162 15.875 0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 918 23.700 14.218 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 918 25.095 15.104 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 918 23.917 15.944 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 918 20.108 14.437 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 918 21.287 13.511 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 918 21.703 14.045 2.412 1.00 0.00 H new ATOM 1236 N LYS A 919 25.265 16.604 -1.827 1.00 0.00 N ATOM 1237 CA LYS A 919 26.576 16.376 -2.430 1.00 0.00 C ATOM 1238 C LYS A 919 26.961 17.534 -3.342 1.00 0.00 C ATOM 1239 O LYS A 919 28.121 17.984 -3.378 1.00 0.00 O ATOM 1240 CB LYS A 919 26.536 15.114 -3.298 1.00 0.00 C ATOM 1241 CG LYS A 919 26.009 13.865 -2.625 1.00 0.00 C ATOM 1242 CD LYS A 919 25.961 12.718 -3.622 1.00 0.00 C ATOM 1243 CE LYS A 919 25.299 11.483 -3.043 1.00 0.00 C ATOM 1244 NZ LYS A 919 23.892 11.739 -2.657 1.00 0.00 N ATOM 0 H LYS A 919 24.489 16.608 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 919 27.298 16.276 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 919 25.921 15.318 -4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 919 27.545 14.912 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 919 26.647 13.599 -1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 919 25.013 14.051 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 919 25.418 13.035 -4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 919 26.975 12.471 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 919 25.333 10.676 -3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 919 25.859 11.146 -2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 919 23.803 11.695 -1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 919 23.607 12.682 -2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 919 23.277 11.020 -3.088 1.00 0.00 H new ATOM 1258 N LYS A 920 25.992 17.995 -4.089 1.00 0.00 N ATOM 1259 CA LYS A 920 26.195 18.946 -5.140 1.00 0.00 C ATOM 1260 C LYS A 920 25.157 20.042 -5.018 1.00 0.00 C ATOM 1261 O LYS A 920 24.398 20.089 -4.045 1.00 0.00 O ATOM 1262 CB LYS A 920 26.007 18.206 -6.485 1.00 0.00 C ATOM 1263 CG LYS A 920 26.875 16.959 -6.615 1.00 0.00 C ATOM 1264 CD LYS A 920 26.548 16.114 -7.833 1.00 0.00 C ATOM 1265 CE LYS A 920 26.930 16.784 -9.126 1.00 0.00 C ATOM 1266 NZ LYS A 920 26.793 15.856 -10.263 1.00 0.00 N ATOM 0 H LYS A 920 25.019 17.710 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 920 27.191 19.386 -5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 920 24.960 17.924 -6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 920 26.239 18.888 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 920 27.922 17.259 -6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 920 26.758 16.350 -5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 920 27.067 15.158 -7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 920 25.480 15.897 -7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 920 26.299 17.658 -9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 920 27.958 17.141 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 920 27.334 16.218 -11.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 920 27.158 14.920 -9.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 920 25.790 15.774 -10.525 1.00 0.00 H new ATOM 1280 N ASP A 921 25.147 20.928 -5.964 1.00 0.00 N ATOM 1281 CA ASP A 921 24.114 21.935 -6.039 1.00 0.00 C ATOM 1282 C ASP A 921 23.183 21.543 -7.151 1.00 0.00 C ATOM 1283 O ASP A 921 21.985 21.360 -6.947 1.00 0.00 O ATOM 1284 CB ASP A 921 24.686 23.349 -6.252 1.00 0.00 C ATOM 1285 CG ASP A 921 25.431 23.879 -5.036 1.00 0.00 C ATOM 1286 OD1 ASP A 921 24.780 24.342 -4.073 1.00 0.00 O ATOM 1287 OD2 ASP A 921 26.683 23.827 -5.000 1.00 0.00 O ATOM 0 H ASP A 921 25.846 20.981 -6.705 1.00 0.00 H new ATOM 0 HA ASP A 921 23.578 21.981 -5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 921 25.361 23.337 -7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 921 23.872 24.031 -6.498 1.00 0.00 H new ATOM 1292 N LYS A 922 23.753 21.372 -8.328 1.00 0.00 N ATOM 1293 CA LYS A 922 23.066 20.871 -9.498 1.00 0.00 C ATOM 1294 C LYS A 922 24.090 20.606 -10.575 1.00 0.00 C ATOM 1295 O LYS A 922 25.306 20.700 -10.296 1.00 0.00 O ATOM 1296 CB LYS A 922 21.925 21.805 -9.996 1.00 0.00 C ATOM 1297 CG LYS A 922 22.310 23.243 -10.291 1.00 0.00 C ATOM 1298 CD LYS A 922 21.107 24.011 -10.825 1.00 0.00 C ATOM 1299 CE LYS A 922 21.419 25.481 -11.052 1.00 0.00 C ATOM 1300 NZ LYS A 922 21.773 26.168 -9.792 1.00 0.00 N ATOM 0 H LYS A 922 24.736 21.585 -8.499 1.00 0.00 H new ATOM 0 HA LYS A 922 22.561 19.944 -9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 922 21.500 21.372 -10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 922 21.135 21.810 -9.245 1.00 0.00 H new ATOM 0 HG2 LYS A 922 22.682 23.721 -9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 922 23.120 23.268 -11.020 1.00 0.00 H new ATOM 0 HD2 LYS A 922 20.778 23.562 -11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 922 20.279 23.921 -10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 922 22.243 25.573 -11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 922 20.556 25.970 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 21.747 27.197 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 21.092 25.906 -9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 22.730 25.884 -9.499 1.00 0.00 H new ATOM 1314 N LYS A 923 23.617 20.259 -11.778 1.00 0.00 N ATOM 1315 CA LYS A 923 24.462 19.942 -12.945 1.00 0.00 C ATOM 1316 C LYS A 923 25.117 18.568 -12.759 1.00 0.00 C ATOM 1317 O LYS A 923 24.865 17.867 -11.751 1.00 0.00 O ATOM 1318 CB LYS A 923 25.551 21.021 -13.198 1.00 0.00 C ATOM 1319 CG LYS A 923 25.049 22.457 -13.379 1.00 0.00 C ATOM 1320 CD LYS A 923 24.107 22.622 -14.571 1.00 0.00 C ATOM 1321 CE LYS A 923 24.753 22.192 -15.884 1.00 0.00 C ATOM 1322 NZ LYS A 923 26.057 22.853 -16.121 1.00 0.00 N ATOM 0 H LYS A 923 22.619 20.188 -11.975 1.00 0.00 H new ATOM 0 HA LYS A 923 23.813 19.926 -13.821 1.00 0.00 H new ATOM 0 HB2 LYS A 923 26.250 21.005 -12.362 1.00 0.00 H new ATOM 0 HB3 LYS A 923 26.113 20.739 -14.089 1.00 0.00 H new ATOM 0 HG2 LYS A 923 24.534 22.772 -12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 923 25.905 23.120 -13.506 1.00 0.00 H new ATOM 0 HD2 LYS A 923 23.205 22.033 -14.403 1.00 0.00 H new ATOM 0 HD3 LYS A 923 23.798 23.665 -14.645 1.00 0.00 H new ATOM 0 HE2 LYS A 923 24.894 21.111 -15.879 1.00 0.00 H new ATOM 0 HE3 LYS A 923 24.078 22.422 -16.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 923 26.372 22.661 -17.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 923 25.956 23.879 -15.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 923 26.760 22.484 -15.450 1.00 0.00 H new ATOM 1336 N HIS A 924 25.940 18.172 -13.702 1.00 0.00 N ATOM 1337 CA HIS A 924 26.624 16.910 -13.595 1.00 0.00 C ATOM 1338 C HIS A 924 28.059 17.150 -13.228 1.00 0.00 C ATOM 1339 O HIS A 924 28.436 16.814 -12.103 1.00 0.00 O ATOM 1340 CB HIS A 924 26.470 15.980 -14.840 1.00 0.00 C ATOM 1341 CG HIS A 924 27.003 16.499 -16.151 1.00 0.00 C ATOM 1342 ND1 HIS A 924 28.329 16.411 -16.520 1.00 0.00 N ATOM 1343 CD2 HIS A 924 26.368 17.079 -17.191 1.00 0.00 C ATOM 1344 CE1 HIS A 924 28.487 16.914 -17.725 1.00 0.00 C ATOM 1345 NE2 HIS A 924 27.311 17.328 -18.157 1.00 0.00 N ATOM 1346 OXT HIS A 924 28.780 17.758 -14.007 1.00 0.00 O ATOM 0 H HIS A 924 26.150 18.704 -14.547 1.00 0.00 H new ATOM 0 HA HIS A 924 26.137 16.349 -12.797 1.00 0.00 H new ATOM 0 HB2 HIS A 924 26.969 15.036 -14.621 1.00 0.00 H new ATOM 0 HB3 HIS A 924 25.411 15.759 -14.969 1.00 0.00 H new ATOM 0 HD2 HIS A 924 25.314 17.305 -17.252 1.00 0.00 H new ATOM 0 HE1 HIS A 924 29.419 16.977 -18.267 1.00 0.00 H new ATOM 0 HE2 HIS A 924 27.132 17.763 -19.062 1.00 0.00 H new TER 1355 HIS A 924 HETATM 1356 ZN ZN A 940 13.337 15.662 -1.126 1.00 0.00 ZN HETATM 1357 ZN ZN A 941 3.923 9.863 -9.657 1.00 0.00 ZN