USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 699 hydrogens (0 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: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 58 ASN : amide:sc= -0.329 K(o=-0.38,f=-1.7) USER MOD Set 1.2: A 61 MET CE :methyl -170:sc= -0.0534 (180deg=-0.241) USER MOD Set 2.1: A 51 CYS SG : rot 140:sc= -0.903 USER MOD Set 2.2: A 56 SER OG : rot 150:sc= -0.0696 USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc=-0.00202 X(o=-0.002,f=0) USER MOD Single : A 11 MET CE :methyl 169:sc=-0.00274 (180deg=-0.164) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.762 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -115:sc= 0.703 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.665 K(o=-0.66,f=-3.9!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -151:sc= 0.255 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 50 THR OG1 : rot -150:sc= -1.18 USER MOD Single : A 53 GLN : amide:sc= -0.927 K(o=-0.93,f=-3.9!) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0524) USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0238) USER MOD Single : A 63 LYS NZ :NH3+ -122:sc= 0.00304 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.0899 X(o=0.09,f=-0.1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -129:sc= 0.698 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= -0.0362 (180deg=-0.224) USER MOD Single : A 83 LYS NZ :NH3+ -173:sc= -0.12 (180deg=-0.217) USER MOD Single : A 84 LYS NZ :NH3+ -170:sc=-0.00787 (180deg=-0.144) USER MOD Single : A 86 SER OG : rot 180:sc= -0.82 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -113:sc= 0.171 (180deg=-0.0366) USER MOD Single : A 94 SER OG : rot -33:sc= 0.247 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 20.469 -12.761 15.225 1.00 0.00 N ATOM 2 CA HIS A 10 19.317 -11.993 15.755 1.00 0.00 C ATOM 3 C HIS A 10 18.038 -12.406 14.995 1.00 0.00 C ATOM 4 O HIS A 10 17.656 -11.780 13.997 1.00 0.00 O ATOM 5 CB HIS A 10 19.604 -10.468 15.648 1.00 0.00 C ATOM 6 CG HIS A 10 18.642 -9.573 16.390 1.00 0.00 C ATOM 7 ND1 HIS A 10 18.446 -8.248 16.058 1.00 0.00 N ATOM 8 CD2 HIS A 10 17.866 -9.793 17.481 1.00 0.00 C ATOM 9 CE1 HIS A 10 17.602 -7.694 16.903 1.00 0.00 C ATOM 10 NE2 HIS A 10 17.233 -8.607 17.776 1.00 0.00 N ATOM 0 HA HIS A 10 19.164 -12.217 16.811 1.00 0.00 H new ATOM 0 HB2 HIS A 10 20.611 -10.278 16.021 1.00 0.00 H new ATOM 0 HB3 HIS A 10 19.596 -10.187 14.595 1.00 0.00 H new ATOM 0 HD2 HIS A 10 17.764 -10.725 18.018 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.270 -6.667 16.883 1.00 0.00 H new ATOM 0 HE2 HIS A 10 16.582 -8.459 18.547 1.00 0.00 H new ATOM 19 N MET A 11 17.386 -13.484 15.478 1.00 0.00 N ATOM 20 CA MET A 11 16.262 -14.151 14.774 1.00 0.00 C ATOM 21 C MET A 11 14.885 -13.590 15.195 1.00 0.00 C ATOM 22 O MET A 11 13.858 -14.257 15.031 1.00 0.00 O ATOM 23 CB MET A 11 16.332 -15.691 15.009 1.00 0.00 C ATOM 24 CG MET A 11 17.524 -16.386 14.320 1.00 0.00 C ATOM 25 SD MET A 11 19.137 -15.826 14.923 1.00 0.00 S ATOM 26 CE MET A 11 19.138 -16.433 16.614 1.00 0.00 C ATOM 0 H MET A 11 17.622 -13.920 16.369 1.00 0.00 H new ATOM 0 HA MET A 11 16.368 -13.943 13.709 1.00 0.00 H new ATOM 0 HB2 MET A 11 16.386 -15.881 16.081 1.00 0.00 H new ATOM 0 HB3 MET A 11 15.407 -16.143 14.652 1.00 0.00 H new ATOM 0 HG2 MET A 11 17.443 -17.462 14.471 1.00 0.00 H new ATOM 0 HG3 MET A 11 17.466 -16.209 13.246 1.00 0.00 H new ATOM 0 HE1 MET A 11 20.138 -16.332 17.036 1.00 0.00 H new ATOM 0 HE2 MET A 11 18.432 -15.853 17.209 1.00 0.00 H new ATOM 0 HE3 MET A 11 18.844 -17.483 16.624 1.00 0.00 H new ATOM 36 N ARG A 12 14.872 -12.346 15.689 1.00 0.00 N ATOM 37 CA ARG A 12 13.652 -11.638 16.114 1.00 0.00 C ATOM 38 C ARG A 12 13.804 -10.150 15.753 1.00 0.00 C ATOM 39 O ARG A 12 14.853 -9.562 16.050 1.00 0.00 O ATOM 40 CB ARG A 12 13.438 -11.826 17.644 1.00 0.00 C ATOM 41 CG ARG A 12 12.186 -11.131 18.224 1.00 0.00 C ATOM 42 CD ARG A 12 12.014 -11.359 19.742 1.00 0.00 C ATOM 43 NE ARG A 12 11.819 -12.786 20.080 1.00 0.00 N ATOM 44 CZ ARG A 12 11.711 -13.284 21.317 1.00 0.00 C ATOM 45 NH1 ARG A 12 11.859 -12.512 22.382 1.00 0.00 N ATOM 46 NH2 ARG A 12 11.489 -14.579 21.488 1.00 0.00 N ATOM 0 H ARG A 12 15.720 -11.792 15.808 1.00 0.00 H new ATOM 0 HA ARG A 12 12.778 -12.043 15.605 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.373 -12.893 17.857 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.317 -11.450 18.167 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.249 -10.061 18.028 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.301 -11.498 17.705 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.893 -10.981 20.265 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.159 -10.784 20.098 1.00 0.00 H new ATOM 0 HE ARG A 12 11.762 -13.446 19.304 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.059 -11.518 22.268 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.773 -12.911 23.317 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.401 -15.193 20.678 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.406 -14.962 22.430 1.00 0.00 H new ATOM 60 N ASP A 13 12.756 -9.570 15.114 1.00 0.00 N ATOM 61 CA ASP A 13 12.719 -8.164 14.635 1.00 0.00 C ATOM 62 C ASP A 13 13.835 -7.881 13.614 1.00 0.00 C ATOM 63 O ASP A 13 14.977 -7.591 13.987 1.00 0.00 O ATOM 64 CB ASP A 13 12.748 -7.133 15.796 1.00 0.00 C ATOM 65 CG ASP A 13 11.550 -7.261 16.758 1.00 0.00 C ATOM 66 OD1 ASP A 13 10.405 -6.988 16.338 1.00 0.00 O ATOM 67 OD2 ASP A 13 11.743 -7.646 17.934 1.00 0.00 O ATOM 0 H ASP A 13 11.895 -10.078 14.913 1.00 0.00 H new ATOM 0 HA ASP A 13 11.762 -8.041 14.129 1.00 0.00 H new ATOM 0 HB2 ASP A 13 13.672 -7.258 16.360 1.00 0.00 H new ATOM 0 HB3 ASP A 13 12.763 -6.126 15.378 1.00 0.00 H new ATOM 72 N TYR A 14 13.484 -7.991 12.328 1.00 0.00 N ATOM 73 CA TYR A 14 14.415 -7.812 11.192 1.00 0.00 C ATOM 74 C TYR A 14 14.294 -6.389 10.644 1.00 0.00 C ATOM 75 O TYR A 14 13.264 -6.022 10.073 1.00 0.00 O ATOM 76 CB TYR A 14 14.109 -8.860 10.094 1.00 0.00 C ATOM 77 CG TYR A 14 14.431 -10.300 10.522 1.00 0.00 C ATOM 78 CD1 TYR A 14 13.565 -11.030 11.348 1.00 0.00 C ATOM 79 CD2 TYR A 14 15.612 -10.920 10.116 1.00 0.00 C ATOM 80 CE1 TYR A 14 13.869 -12.317 11.738 1.00 0.00 C ATOM 81 CE2 TYR A 14 15.915 -12.203 10.504 1.00 0.00 C ATOM 82 CZ TYR A 14 15.046 -12.897 11.311 1.00 0.00 C ATOM 83 OH TYR A 14 15.357 -14.184 11.684 1.00 0.00 O ATOM 0 H TYR A 14 12.532 -8.210 12.035 1.00 0.00 H new ATOM 0 HA TYR A 14 15.440 -7.962 11.531 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.055 -8.796 9.824 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.683 -8.617 9.200 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.644 -10.577 11.684 1.00 0.00 H new ATOM 0 HD2 TYR A 14 16.302 -10.381 9.484 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.191 -12.867 12.373 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.834 -12.665 10.175 1.00 0.00 H new ATOM 0 HH TYR A 14 16.220 -14.438 11.296 1.00 0.00 H new ATOM 93 N ILE A 15 15.361 -5.587 10.801 1.00 0.00 N ATOM 94 CA ILE A 15 15.316 -4.133 10.580 1.00 0.00 C ATOM 95 C ILE A 15 16.023 -3.789 9.247 1.00 0.00 C ATOM 96 O ILE A 15 16.872 -4.546 8.772 1.00 0.00 O ATOM 97 CB ILE A 15 16.029 -3.345 11.767 1.00 0.00 C ATOM 98 CG1 ILE A 15 15.869 -4.056 13.148 1.00 0.00 C ATOM 99 CG2 ILE A 15 15.524 -1.886 11.853 1.00 0.00 C ATOM 100 CD1 ILE A 15 14.460 -4.150 13.650 1.00 0.00 C ATOM 0 H ILE A 15 16.279 -5.930 11.085 1.00 0.00 H new ATOM 0 HA ILE A 15 14.270 -3.829 10.542 1.00 0.00 H new ATOM 0 HB ILE A 15 17.093 -3.337 11.530 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.280 -5.063 13.072 1.00 0.00 H new ATOM 0 HG13 ILE A 15 16.468 -3.522 13.886 1.00 0.00 H new ATOM 0 HG21 ILE A 15 16.029 -1.374 12.672 1.00 0.00 H new ATOM 0 HG22 ILE A 15 15.738 -1.371 10.916 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.449 -1.883 12.031 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.450 -4.659 14.614 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.047 -3.148 13.764 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.857 -4.712 12.937 1.00 0.00 H new ATOM 112 N CYS A 16 15.677 -2.629 8.661 1.00 0.00 N ATOM 113 CA CYS A 16 16.370 -2.100 7.460 1.00 0.00 C ATOM 114 C CYS A 16 17.547 -1.179 7.854 1.00 0.00 C ATOM 115 O CYS A 16 18.028 -0.397 7.024 1.00 0.00 O ATOM 116 CB CYS A 16 15.382 -1.352 6.547 1.00 0.00 C ATOM 117 SG CYS A 16 16.078 -0.954 4.930 1.00 0.00 S ATOM 0 H CYS A 16 14.920 -2.034 8.997 1.00 0.00 H new ATOM 0 HA CYS A 16 16.776 -2.948 6.909 1.00 0.00 H new ATOM 0 HB2 CYS A 16 14.488 -1.961 6.412 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.068 -0.431 7.038 1.00 0.00 H new ATOM 122 N GLU A 17 17.911 -1.210 9.158 1.00 0.00 N ATOM 123 CA GLU A 17 19.117 -0.574 9.735 1.00 0.00 C ATOM 124 C GLU A 17 18.810 0.889 10.125 1.00 0.00 C ATOM 125 O GLU A 17 19.275 1.367 11.168 1.00 0.00 O ATOM 126 CB GLU A 17 20.375 -0.677 8.816 1.00 0.00 C ATOM 127 CG GLU A 17 21.696 -0.236 9.474 1.00 0.00 C ATOM 128 CD GLU A 17 22.864 -0.131 8.476 1.00 0.00 C ATOM 129 OE1 GLU A 17 23.362 -1.178 8.012 1.00 0.00 O ATOM 130 OE2 GLU A 17 23.275 0.999 8.138 1.00 0.00 O ATOM 0 H GLU A 17 17.353 -1.695 9.860 1.00 0.00 H new ATOM 0 HA GLU A 17 19.374 -1.133 10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 17 20.479 -1.709 8.482 1.00 0.00 H new ATOM 0 HB3 GLU A 17 20.208 -0.069 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 17 21.550 0.731 9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.959 -0.946 10.258 1.00 0.00 H new ATOM 137 N TYR A 18 18.017 1.596 9.290 1.00 0.00 N ATOM 138 CA TYR A 18 17.577 2.966 9.583 1.00 0.00 C ATOM 139 C TYR A 18 16.089 3.130 9.224 1.00 0.00 C ATOM 140 O TYR A 18 15.277 3.495 10.069 1.00 0.00 O ATOM 141 CB TYR A 18 18.445 3.998 8.804 1.00 0.00 C ATOM 142 CG TYR A 18 18.390 5.401 9.421 1.00 0.00 C ATOM 143 CD1 TYR A 18 18.578 5.561 10.797 1.00 0.00 C ATOM 144 CD2 TYR A 18 18.130 6.544 8.664 1.00 0.00 C ATOM 145 CE1 TYR A 18 18.521 6.792 11.391 1.00 0.00 C ATOM 146 CE2 TYR A 18 18.072 7.792 9.259 1.00 0.00 C ATOM 147 CZ TYR A 18 18.265 7.912 10.623 1.00 0.00 C ATOM 148 OH TYR A 18 18.199 9.155 11.223 1.00 0.00 O ATOM 0 H TYR A 18 17.670 1.231 8.403 1.00 0.00 H new ATOM 0 HA TYR A 18 17.702 3.153 10.649 1.00 0.00 H new ATOM 0 HB2 TYR A 18 19.479 3.655 8.783 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.104 4.046 7.770 1.00 0.00 H new ATOM 0 HD1 TYR A 18 18.773 4.691 11.406 1.00 0.00 H new ATOM 0 HD2 TYR A 18 17.972 6.453 7.599 1.00 0.00 H new ATOM 0 HE1 TYR A 18 18.675 6.888 12.456 1.00 0.00 H new ATOM 0 HE2 TYR A 18 17.877 8.669 8.660 1.00 0.00 H new ATOM 0 HH TYR A 18 18.013 9.837 10.544 1.00 0.00 H new ATOM 158 N CYS A 19 15.739 2.813 7.955 1.00 0.00 N ATOM 159 CA CYS A 19 14.357 2.987 7.433 1.00 0.00 C ATOM 160 C CYS A 19 13.512 1.697 7.535 1.00 0.00 C ATOM 161 O CYS A 19 13.084 1.137 6.521 1.00 0.00 O ATOM 162 CB CYS A 19 14.391 3.572 5.983 1.00 0.00 C ATOM 163 SG CYS A 19 15.660 2.853 4.891 1.00 0.00 S ATOM 0 H CYS A 19 16.394 2.435 7.271 1.00 0.00 H new ATOM 0 HA CYS A 19 13.851 3.711 8.072 1.00 0.00 H new ATOM 0 HB2 CYS A 19 13.413 3.424 5.525 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.554 4.648 6.045 1.00 0.00 H new ATOM 168 N ALA A 20 13.362 1.197 8.782 1.00 0.00 N ATOM 169 CA ALA A 20 12.293 0.245 9.171 1.00 0.00 C ATOM 170 C ALA A 20 12.193 0.147 10.691 1.00 0.00 C ATOM 171 O ALA A 20 13.219 0.221 11.375 1.00 0.00 O ATOM 172 CB ALA A 20 12.507 -1.161 8.578 1.00 0.00 C ATOM 0 H ALA A 20 13.983 1.443 9.553 1.00 0.00 H new ATOM 0 HA ALA A 20 11.362 0.638 8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.696 -1.817 8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.520 -1.099 7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.457 -1.563 8.929 1.00 0.00 H new ATOM 178 N ARG A 21 10.950 0.029 11.222 1.00 0.00 N ATOM 179 CA ARG A 21 10.754 -0.336 12.633 1.00 0.00 C ATOM 180 C ARG A 21 11.205 -1.802 12.859 1.00 0.00 C ATOM 181 O ARG A 21 12.118 -2.030 13.655 1.00 0.00 O ATOM 182 CB ARG A 21 9.283 -0.095 13.122 1.00 0.00 C ATOM 183 CG ARG A 21 8.175 -0.960 12.457 1.00 0.00 C ATOM 184 CD ARG A 21 6.798 -0.789 13.116 1.00 0.00 C ATOM 185 NE ARG A 21 6.221 0.542 12.871 1.00 0.00 N ATOM 186 CZ ARG A 21 5.986 1.484 13.795 1.00 0.00 C ATOM 187 NH1 ARG A 21 6.414 1.347 15.046 1.00 0.00 N ATOM 188 NH2 ARG A 21 5.339 2.578 13.444 1.00 0.00 N ATOM 0 H ARG A 21 10.087 0.180 10.699 1.00 0.00 H new ATOM 0 HA ARG A 21 11.375 0.322 13.240 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.250 -0.268 14.198 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.038 0.955 12.960 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.101 -0.696 11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.465 -2.010 12.504 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.119 -1.552 12.736 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.890 -0.950 14.190 1.00 0.00 H new ATOM 0 HE ARG A 21 5.977 0.769 11.907 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.933 0.512 15.319 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.224 2.077 15.733 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.025 2.698 12.481 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.152 3.304 14.136 1.00 0.00 H new ATOM 202 N ALA A 22 10.588 -2.763 12.124 1.00 0.00 N ATOM 203 CA ALA A 22 10.889 -4.204 12.166 1.00 0.00 C ATOM 204 C ALA A 22 9.861 -4.929 11.287 1.00 0.00 C ATOM 205 O ALA A 22 8.664 -4.620 11.350 1.00 0.00 O ATOM 206 CB ALA A 22 10.799 -4.768 13.594 1.00 0.00 C ATOM 0 H ALA A 22 9.842 -2.540 11.465 1.00 0.00 H new ATOM 0 HA ALA A 22 11.907 -4.356 11.809 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.028 -5.834 13.579 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.514 -4.252 14.235 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.791 -4.619 13.981 1.00 0.00 H new ATOM 212 N PHE A 23 10.329 -5.862 10.456 1.00 0.00 N ATOM 213 CA PHE A 23 9.463 -6.782 9.710 1.00 0.00 C ATOM 214 C PHE A 23 9.599 -8.175 10.307 1.00 0.00 C ATOM 215 O PHE A 23 10.570 -8.458 11.032 1.00 0.00 O ATOM 216 CB PHE A 23 9.837 -6.818 8.214 1.00 0.00 C ATOM 217 CG PHE A 23 9.551 -5.521 7.458 1.00 0.00 C ATOM 218 CD1 PHE A 23 10.478 -4.482 7.453 1.00 0.00 C ATOM 219 CD2 PHE A 23 8.366 -5.349 6.735 1.00 0.00 C ATOM 220 CE1 PHE A 23 10.237 -3.319 6.761 1.00 0.00 C ATOM 221 CE2 PHE A 23 8.123 -4.174 6.043 1.00 0.00 C ATOM 222 CZ PHE A 23 9.063 -3.162 6.050 1.00 0.00 C ATOM 0 H PHE A 23 11.324 -6.003 10.279 1.00 0.00 H new ATOM 0 HA PHE A 23 8.433 -6.434 9.787 1.00 0.00 H new ATOM 0 HB2 PHE A 23 10.898 -7.050 8.123 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.291 -7.631 7.735 1.00 0.00 H new ATOM 0 HD1 PHE A 23 11.402 -4.592 8.002 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.632 -6.141 6.716 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.969 -2.525 6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.199 -4.049 5.498 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.881 -2.250 5.501 1.00 0.00 H new ATOM 232 N LYS A 24 8.643 -9.037 9.949 1.00 0.00 N ATOM 233 CA LYS A 24 8.534 -10.419 10.431 1.00 0.00 C ATOM 234 C LYS A 24 9.818 -11.214 10.145 1.00 0.00 C ATOM 235 O LYS A 24 10.341 -11.917 11.014 1.00 0.00 O ATOM 236 CB LYS A 24 7.321 -11.062 9.715 1.00 0.00 C ATOM 237 CG LYS A 24 6.869 -12.448 10.227 1.00 0.00 C ATOM 238 CD LYS A 24 5.709 -13.021 9.372 1.00 0.00 C ATOM 239 CE LYS A 24 4.493 -12.062 9.279 1.00 0.00 C ATOM 240 NZ LYS A 24 3.527 -12.479 8.235 1.00 0.00 N ATOM 0 H LYS A 24 7.901 -8.786 9.296 1.00 0.00 H new ATOM 0 HA LYS A 24 8.394 -10.429 11.512 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.476 -10.378 9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.560 -11.152 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.713 -13.138 10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.550 -12.367 11.266 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.076 -13.232 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.385 -13.970 9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.988 -12.024 10.244 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.844 -11.053 9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.495 -11.760 7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.825 -13.389 7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.582 -12.581 8.657 1.00 0.00 H new ATOM 254 N SER A 25 10.329 -11.047 8.919 1.00 0.00 N ATOM 255 CA SER A 25 11.524 -11.752 8.427 1.00 0.00 C ATOM 256 C SER A 25 12.320 -10.849 7.470 1.00 0.00 C ATOM 257 O SER A 25 11.834 -9.794 7.055 1.00 0.00 O ATOM 258 CB SER A 25 11.115 -13.078 7.744 1.00 0.00 C ATOM 259 OG SER A 25 10.504 -13.972 8.668 1.00 0.00 O ATOM 0 H SER A 25 9.922 -10.413 8.232 1.00 0.00 H new ATOM 0 HA SER A 25 12.170 -11.993 9.271 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.425 -12.870 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.995 -13.550 7.306 1.00 0.00 H new ATOM 0 HG SER A 25 10.255 -14.800 8.206 1.00 0.00 H new ATOM 265 N SER A 26 13.548 -11.285 7.142 1.00 0.00 N ATOM 266 CA SER A 26 14.496 -10.538 6.291 1.00 0.00 C ATOM 267 C SER A 26 13.986 -10.364 4.847 1.00 0.00 C ATOM 268 O SER A 26 14.202 -9.319 4.235 1.00 0.00 O ATOM 269 CB SER A 26 15.854 -11.266 6.306 1.00 0.00 C ATOM 270 OG SER A 26 15.707 -12.629 5.926 1.00 0.00 O ATOM 0 H SER A 26 13.918 -12.179 7.464 1.00 0.00 H new ATOM 0 HA SER A 26 14.602 -9.533 6.699 1.00 0.00 H new ATOM 0 HB2 SER A 26 16.545 -10.768 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 26 16.291 -11.208 7.303 1.00 0.00 H new ATOM 0 HG SER A 26 16.582 -13.069 5.941 1.00 0.00 H new ATOM 276 N HIS A 27 13.349 -11.416 4.307 1.00 0.00 N ATOM 277 CA HIS A 27 12.783 -11.412 2.935 1.00 0.00 C ATOM 278 C HIS A 27 11.477 -10.585 2.879 1.00 0.00 C ATOM 279 O HIS A 27 11.206 -9.912 1.878 1.00 0.00 O ATOM 280 CB HIS A 27 12.589 -12.857 2.417 1.00 0.00 C ATOM 281 CG HIS A 27 13.880 -13.644 2.336 1.00 0.00 C ATOM 282 ND1 HIS A 27 14.585 -13.821 1.162 1.00 0.00 N ATOM 283 CD2 HIS A 27 14.595 -14.292 3.296 1.00 0.00 C ATOM 284 CE1 HIS A 27 15.666 -14.541 1.400 1.00 0.00 C ATOM 285 NE2 HIS A 27 15.693 -14.839 2.683 1.00 0.00 N ATOM 0 H HIS A 27 13.209 -12.296 4.804 1.00 0.00 H new ATOM 0 HA HIS A 27 13.494 -10.926 2.266 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.894 -13.380 3.073 1.00 0.00 H new ATOM 0 HB3 HIS A 27 12.130 -12.823 1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 27 14.344 -14.362 4.344 1.00 0.00 H new ATOM 0 HE1 HIS A 27 16.403 -14.836 0.667 1.00 0.00 H new ATOM 0 HE2 HIS A 27 16.416 -15.389 3.147 1.00 0.00 H new ATOM 294 N ASN A 28 10.674 -10.673 3.961 1.00 0.00 N ATOM 295 CA ASN A 28 9.514 -9.768 4.213 1.00 0.00 C ATOM 296 C ASN A 28 9.964 -8.292 4.197 1.00 0.00 C ATOM 297 O ASN A 28 9.287 -7.411 3.670 1.00 0.00 O ATOM 298 CB ASN A 28 8.893 -10.095 5.595 1.00 0.00 C ATOM 299 CG ASN A 28 7.671 -9.236 5.987 1.00 0.00 C ATOM 300 OD1 ASN A 28 7.454 -8.971 7.166 1.00 0.00 O ATOM 301 ND2 ASN A 28 6.854 -8.811 5.026 1.00 0.00 N ATOM 0 H ASN A 28 10.806 -11.373 4.691 1.00 0.00 H new ATOM 0 HA ASN A 28 8.776 -9.922 3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.597 -11.144 5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.662 -9.974 6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.032 -8.256 5.264 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.050 -9.041 4.052 1.00 0.00 H new ATOM 308 N LEU A 29 11.117 -8.065 4.822 1.00 0.00 N ATOM 309 CA LEU A 29 11.767 -6.758 4.910 1.00 0.00 C ATOM 310 C LEU A 29 12.372 -6.358 3.564 1.00 0.00 C ATOM 311 O LEU A 29 12.355 -5.186 3.233 1.00 0.00 O ATOM 312 CB LEU A 29 12.803 -6.773 6.092 1.00 0.00 C ATOM 313 CG LEU A 29 14.233 -6.190 5.854 1.00 0.00 C ATOM 314 CD1 LEU A 29 14.217 -4.659 5.917 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.263 -6.786 6.838 1.00 0.00 C ATOM 0 H LEU A 29 11.639 -8.803 5.294 1.00 0.00 H new ATOM 0 HA LEU A 29 11.032 -5.985 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.360 -6.227 6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.919 -7.808 6.415 1.00 0.00 H new ATOM 0 HG LEU A 29 14.545 -6.480 4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.224 -4.277 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.548 -4.270 5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.867 -4.339 6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.245 -6.356 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.965 -6.556 7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.307 -7.867 6.708 1.00 0.00 H new ATOM 327 N ALA A 30 12.863 -7.355 2.799 1.00 0.00 N ATOM 328 CA ALA A 30 13.497 -7.157 1.469 1.00 0.00 C ATOM 329 C ALA A 30 12.507 -6.562 0.441 1.00 0.00 C ATOM 330 O ALA A 30 12.923 -5.913 -0.523 1.00 0.00 O ATOM 331 CB ALA A 30 14.107 -8.470 0.949 1.00 0.00 C ATOM 0 H ALA A 30 12.832 -8.333 3.086 1.00 0.00 H new ATOM 0 HA ALA A 30 14.302 -6.434 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 30 14.564 -8.298 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.865 -8.821 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 30 13.324 -9.223 0.854 1.00 0.00 H new ATOM 337 N VAL A 31 11.204 -6.856 0.644 1.00 0.00 N ATOM 338 CA VAL A 31 10.089 -6.186 -0.080 1.00 0.00 C ATOM 339 C VAL A 31 10.223 -4.632 -0.024 1.00 0.00 C ATOM 340 O VAL A 31 10.095 -3.945 -1.047 1.00 0.00 O ATOM 341 CB VAL A 31 8.689 -6.640 0.498 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.508 -5.975 -0.260 1.00 0.00 C ATOM 343 CG2 VAL A 31 8.549 -8.189 0.474 1.00 0.00 C ATOM 0 H VAL A 31 10.891 -7.561 1.311 1.00 0.00 H new ATOM 0 HA VAL A 31 10.149 -6.490 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 31 8.647 -6.305 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.564 -6.313 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.580 -4.891 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.549 -6.253 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.577 -8.473 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.635 -8.546 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.337 -8.635 1.080 1.00 0.00 H new ATOM 353 N HIS A 32 10.497 -4.110 1.185 1.00 0.00 N ATOM 354 CA HIS A 32 10.839 -2.681 1.379 1.00 0.00 C ATOM 355 C HIS A 32 12.290 -2.417 0.954 1.00 0.00 C ATOM 356 O HIS A 32 12.584 -1.409 0.301 1.00 0.00 O ATOM 357 CB HIS A 32 10.588 -2.185 2.846 1.00 0.00 C ATOM 358 CG HIS A 32 11.396 -0.945 3.199 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.197 0.283 2.605 1.00 0.00 N ATOM 360 CD2 HIS A 32 12.544 -0.828 3.909 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.226 1.075 2.940 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.086 0.453 3.729 1.00 0.00 N ATOM 0 H HIS A 32 10.489 -4.655 2.047 1.00 0.00 H new ATOM 0 HA HIS A 32 10.168 -2.105 0.741 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.527 -1.970 2.975 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.838 -2.985 3.542 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.407 0.543 2.015 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.977 -1.605 4.522 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.339 2.096 2.606 1.00 0.00 H new ATOM 370 N ARG A 33 13.187 -3.307 1.395 1.00 0.00 N ATOM 371 CA ARG A 33 14.644 -3.165 1.291 1.00 0.00 C ATOM 372 C ARG A 33 15.114 -3.524 -0.139 1.00 0.00 C ATOM 373 O ARG A 33 16.192 -4.101 -0.326 1.00 0.00 O ATOM 374 CB ARG A 33 15.314 -4.055 2.405 1.00 0.00 C ATOM 375 CG ARG A 33 16.800 -3.766 2.720 1.00 0.00 C ATOM 376 CD ARG A 33 17.377 -4.667 3.826 1.00 0.00 C ATOM 377 NE ARG A 33 18.803 -4.379 4.093 1.00 0.00 N ATOM 378 CZ ARG A 33 19.683 -5.250 4.614 1.00 0.00 C ATOM 379 NH1 ARG A 33 19.334 -6.513 4.852 1.00 0.00 N ATOM 380 NH2 ARG A 33 20.922 -4.847 4.865 1.00 0.00 N ATOM 0 H ARG A 33 12.908 -4.176 1.850 1.00 0.00 H new ATOM 0 HA ARG A 33 14.949 -2.132 1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.741 -3.938 3.325 1.00 0.00 H new ATOM 0 HB3 ARG A 33 15.226 -5.099 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.388 -3.896 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.904 -2.723 3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.802 -4.529 4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.267 -5.712 3.536 1.00 0.00 H new ATOM 0 HE ARG A 33 19.145 -3.446 3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.388 -6.830 4.638 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.012 -7.164 5.248 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.197 -3.886 4.662 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.600 -5.498 5.261 1.00 0.00 H new ATOM 394 N MET A 34 14.322 -3.084 -1.149 1.00 0.00 N ATOM 395 CA MET A 34 14.368 -3.615 -2.508 1.00 0.00 C ATOM 396 C MET A 34 15.747 -3.423 -3.167 1.00 0.00 C ATOM 397 O MET A 34 16.298 -4.390 -3.695 1.00 0.00 O ATOM 398 CB MET A 34 13.206 -3.017 -3.358 1.00 0.00 C ATOM 399 CG MET A 34 13.157 -1.487 -3.446 1.00 0.00 C ATOM 400 SD MET A 34 11.792 -0.909 -4.487 1.00 0.00 S ATOM 401 CE MET A 34 11.982 0.875 -4.403 1.00 0.00 C ATOM 0 H MET A 34 13.632 -2.343 -1.027 1.00 0.00 H new ATOM 0 HA MET A 34 14.222 -4.694 -2.456 1.00 0.00 H new ATOM 0 HB2 MET A 34 13.279 -3.417 -4.369 1.00 0.00 H new ATOM 0 HB3 MET A 34 12.261 -3.368 -2.943 1.00 0.00 H new ATOM 0 HG2 MET A 34 13.051 -1.070 -2.445 1.00 0.00 H new ATOM 0 HG3 MET A 34 14.100 -1.117 -3.847 1.00 0.00 H new ATOM 0 HE1 MET A 34 11.205 1.352 -5.000 1.00 0.00 H new ATOM 0 HE2 MET A 34 11.895 1.202 -3.367 1.00 0.00 H new ATOM 0 HE3 MET A 34 12.961 1.155 -4.791 1.00 0.00 H new ATOM 411 N ILE A 35 16.299 -2.183 -3.189 1.00 0.00 N ATOM 412 CA ILE A 35 17.657 -1.906 -3.676 1.00 0.00 C ATOM 413 C ILE A 35 18.812 -2.092 -2.640 1.00 0.00 C ATOM 414 O ILE A 35 19.960 -2.295 -3.063 1.00 0.00 O ATOM 415 CB ILE A 35 17.658 -0.419 -4.226 1.00 0.00 C ATOM 416 CG1 ILE A 35 18.954 -0.081 -5.031 1.00 0.00 C ATOM 417 CG2 ILE A 35 17.427 0.608 -3.076 1.00 0.00 C ATOM 418 CD1 ILE A 35 19.156 -0.889 -6.305 1.00 0.00 C ATOM 0 H ILE A 35 15.806 -1.351 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 35 17.875 -2.651 -4.441 1.00 0.00 H new ATOM 0 HB ILE A 35 16.824 -0.342 -4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 35 18.935 0.977 -5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 35 19.816 -0.235 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 35 17.433 1.619 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 35 16.465 0.414 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.222 0.511 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 35 20.082 -0.579 -6.789 1.00 0.00 H new ATOM 0 HD12 ILE A 35 19.212 -1.949 -6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 35 18.318 -0.718 -6.981 1.00 0.00 H new ATOM 430 N HIS A 36 18.546 -2.130 -1.302 1.00 0.00 N ATOM 431 CA HIS A 36 19.638 -1.782 -0.334 1.00 0.00 C ATOM 432 C HIS A 36 20.516 -3.030 -0.065 1.00 0.00 C ATOM 433 O HIS A 36 21.743 -2.949 0.010 1.00 0.00 O ATOM 434 CB HIS A 36 19.141 -1.312 1.063 1.00 0.00 C ATOM 435 CG HIS A 36 18.040 -0.285 1.169 1.00 0.00 C ATOM 436 ND1 HIS A 36 18.226 1.067 1.113 1.00 0.00 N ATOM 437 CD2 HIS A 36 16.799 -0.451 1.640 1.00 0.00 C ATOM 438 CE1 HIS A 36 17.108 1.646 1.593 1.00 0.00 C ATOM 439 NE2 HIS A 36 16.195 0.752 1.952 1.00 0.00 N ATOM 0 H HIS A 36 17.649 -2.380 -0.886 1.00 0.00 H new ATOM 0 HA HIS A 36 20.175 -0.961 -0.810 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.810 -2.199 1.604 1.00 0.00 H new ATOM 0 HB3 HIS A 36 20.005 -0.917 1.598 1.00 0.00 H new ATOM 0 HD1 HIS A 36 19.057 1.549 0.771 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.324 -1.413 1.762 1.00 0.00 H new ATOM 0 HE1 HIS A 36 16.971 2.714 1.676 1.00 0.00 H new ATOM 447 N THR A 37 19.834 -4.172 0.096 1.00 0.00 N ATOM 448 CA THR A 37 20.416 -5.415 0.653 1.00 0.00 C ATOM 449 C THR A 37 21.424 -6.104 -0.301 1.00 0.00 C ATOM 450 O THR A 37 22.340 -6.810 0.154 1.00 0.00 O ATOM 451 CB THR A 37 19.272 -6.407 1.057 1.00 0.00 C ATOM 452 OG1 THR A 37 19.813 -7.648 1.523 1.00 0.00 O ATOM 453 CG2 THR A 37 18.272 -6.666 -0.086 1.00 0.00 C ATOM 0 H THR A 37 18.851 -4.267 -0.158 1.00 0.00 H new ATOM 0 HA THR A 37 20.985 -5.128 1.537 1.00 0.00 H new ATOM 0 HB THR A 37 18.722 -5.925 1.865 1.00 0.00 H new ATOM 0 HG1 THR A 37 19.178 -8.371 1.339 1.00 0.00 H new ATOM 0 HG21 THR A 37 17.503 -7.360 0.253 1.00 0.00 H new ATOM 0 HG22 THR A 37 17.807 -5.726 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 37 18.798 -7.095 -0.939 1.00 0.00 H new ATOM 461 N GLY A 38 21.242 -5.890 -1.613 1.00 0.00 N ATOM 462 CA GLY A 38 22.089 -6.505 -2.643 1.00 0.00 C ATOM 463 C GLY A 38 21.592 -7.890 -3.046 1.00 0.00 C ATOM 464 O GLY A 38 22.382 -8.777 -3.382 1.00 0.00 O ATOM 0 H GLY A 38 20.508 -5.289 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 38 22.116 -5.860 -3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 38 23.111 -6.581 -2.273 1.00 0.00 H new ATOM 468 N GLU A 39 20.259 -8.056 -3.027 1.00 0.00 N ATOM 469 CA GLU A 39 19.570 -9.312 -3.398 1.00 0.00 C ATOM 470 C GLU A 39 18.801 -9.120 -4.716 1.00 0.00 C ATOM 471 O GLU A 39 18.659 -10.067 -5.498 1.00 0.00 O ATOM 472 CB GLU A 39 18.581 -9.750 -2.284 1.00 0.00 C ATOM 473 CG GLU A 39 19.239 -10.143 -0.953 1.00 0.00 C ATOM 474 CD GLU A 39 18.211 -10.633 0.081 1.00 0.00 C ATOM 475 OE1 GLU A 39 17.904 -11.848 0.106 1.00 0.00 O ATOM 476 OE2 GLU A 39 17.689 -9.814 0.860 1.00 0.00 O ATOM 0 H GLU A 39 19.617 -7.313 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 39 20.324 -10.089 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.880 -8.936 -2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 39 17.998 -10.596 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 39 19.975 -10.927 -1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 39 19.778 -9.286 -0.549 1.00 0.00 H new ATOM 483 N LYS A 40 18.340 -7.862 -4.937 1.00 0.00 N ATOM 484 CA LYS A 40 17.423 -7.441 -6.023 1.00 0.00 C ATOM 485 C LYS A 40 16.227 -8.421 -6.209 1.00 0.00 C ATOM 486 O LYS A 40 16.204 -9.213 -7.162 1.00 0.00 O ATOM 487 CB LYS A 40 18.165 -7.096 -7.372 1.00 0.00 C ATOM 488 CG LYS A 40 19.024 -8.213 -7.998 1.00 0.00 C ATOM 489 CD LYS A 40 19.567 -7.841 -9.395 1.00 0.00 C ATOM 490 CE LYS A 40 20.351 -8.996 -10.047 1.00 0.00 C ATOM 491 NZ LYS A 40 20.780 -8.676 -11.430 1.00 0.00 N ATOM 0 H LYS A 40 18.610 -7.082 -4.337 1.00 0.00 H new ATOM 0 HA LYS A 40 16.987 -6.498 -5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.416 -6.793 -8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 40 18.806 -6.232 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 40 19.861 -8.435 -7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 40 18.428 -9.123 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.736 -7.559 -10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.215 -6.968 -9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 40 21.228 -9.225 -9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.730 -9.892 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.303 -9.483 -11.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.943 -8.484 -12.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 21.395 -7.837 -11.417 1.00 0.00 H new ATOM 505 N PRO A 41 15.232 -8.416 -5.252 1.00 0.00 N ATOM 506 CA PRO A 41 14.000 -9.234 -5.378 1.00 0.00 C ATOM 507 C PRO A 41 13.162 -8.816 -6.613 1.00 0.00 C ATOM 508 O PRO A 41 13.130 -7.634 -6.989 1.00 0.00 O ATOM 509 CB PRO A 41 13.247 -8.996 -4.035 1.00 0.00 C ATOM 510 CG PRO A 41 13.793 -7.693 -3.516 1.00 0.00 C ATOM 511 CD PRO A 41 15.237 -7.637 -3.978 1.00 0.00 C ATOM 0 HA PRO A 41 14.211 -10.291 -5.541 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.169 -8.940 -4.190 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.426 -9.809 -3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.225 -6.848 -3.905 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.728 -7.647 -2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 41 15.567 -6.610 -4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 41 15.910 -8.077 -3.242 1.00 0.00 H new ATOM 519 N LEU A 42 12.477 -9.794 -7.220 1.00 0.00 N ATOM 520 CA LEU A 42 11.776 -9.625 -8.501 1.00 0.00 C ATOM 521 C LEU A 42 10.436 -8.953 -8.242 1.00 0.00 C ATOM 522 O LEU A 42 9.740 -9.337 -7.306 1.00 0.00 O ATOM 523 CB LEU A 42 11.591 -11.009 -9.173 1.00 0.00 C ATOM 524 CG LEU A 42 12.907 -11.748 -9.572 1.00 0.00 C ATOM 525 CD1 LEU A 42 12.609 -13.122 -10.212 1.00 0.00 C ATOM 526 CD2 LEU A 42 13.761 -10.870 -10.511 1.00 0.00 C ATOM 0 H LEU A 42 12.393 -10.734 -6.833 1.00 0.00 H new ATOM 0 HA LEU A 42 12.357 -8.996 -9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.027 -11.650 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.983 -10.880 -10.068 1.00 0.00 H new ATOM 0 HG LEU A 42 13.479 -11.929 -8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.546 -13.610 -10.478 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.065 -13.744 -9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.005 -12.982 -11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.674 -11.403 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.195 -10.646 -11.415 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.019 -9.940 -10.005 1.00 0.00 H new ATOM 538 N GLN A 43 10.055 -7.980 -9.079 1.00 0.00 N ATOM 539 CA GLN A 43 8.918 -7.093 -8.794 1.00 0.00 C ATOM 540 C GLN A 43 7.830 -7.271 -9.861 1.00 0.00 C ATOM 541 O GLN A 43 8.137 -7.432 -11.041 1.00 0.00 O ATOM 542 CB GLN A 43 9.400 -5.617 -8.735 1.00 0.00 C ATOM 543 CG GLN A 43 8.343 -4.615 -8.231 1.00 0.00 C ATOM 544 CD GLN A 43 8.831 -3.170 -8.139 1.00 0.00 C ATOM 545 OE1 GLN A 43 9.686 -2.729 -8.911 1.00 0.00 O ATOM 546 NE2 GLN A 43 8.289 -2.424 -7.188 1.00 0.00 N ATOM 0 H GLN A 43 10.521 -7.786 -9.965 1.00 0.00 H new ATOM 0 HA GLN A 43 8.492 -7.355 -7.826 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.274 -5.560 -8.086 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.722 -5.314 -9.731 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.480 -4.652 -8.896 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.000 -4.933 -7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.584 -2.822 -6.567 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.576 -1.452 -7.077 1.00 0.00 H new ATOM 555 N CYS A 44 6.563 -7.279 -9.418 1.00 0.00 N ATOM 556 CA CYS A 44 5.381 -7.309 -10.302 1.00 0.00 C ATOM 557 C CYS A 44 5.302 -6.035 -11.147 1.00 0.00 C ATOM 558 O CYS A 44 5.070 -4.954 -10.616 1.00 0.00 O ATOM 559 CB CYS A 44 4.098 -7.459 -9.462 1.00 0.00 C ATOM 560 SG CYS A 44 2.549 -6.972 -10.301 1.00 0.00 S ATOM 0 H CYS A 44 6.325 -7.265 -8.426 1.00 0.00 H new ATOM 0 HA CYS A 44 5.476 -8.164 -10.972 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.009 -8.499 -9.148 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.205 -6.861 -8.557 1.00 0.00 H new ATOM 565 N GLU A 45 5.485 -6.180 -12.466 1.00 0.00 N ATOM 566 CA GLU A 45 5.480 -5.055 -13.422 1.00 0.00 C ATOM 567 C GLU A 45 4.045 -4.626 -13.839 1.00 0.00 C ATOM 568 O GLU A 45 3.846 -4.057 -14.919 1.00 0.00 O ATOM 569 CB GLU A 45 6.347 -5.450 -14.657 1.00 0.00 C ATOM 570 CG GLU A 45 7.790 -5.902 -14.303 1.00 0.00 C ATOM 571 CD GLU A 45 8.615 -4.834 -13.550 1.00 0.00 C ATOM 572 OE1 GLU A 45 9.240 -3.981 -14.213 1.00 0.00 O ATOM 573 OE2 GLU A 45 8.641 -4.840 -12.299 1.00 0.00 O ATOM 0 H GLU A 45 5.642 -7.086 -12.907 1.00 0.00 H new ATOM 0 HA GLU A 45 5.910 -4.180 -12.934 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.847 -6.256 -15.195 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.401 -4.599 -15.336 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.738 -6.804 -13.693 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.312 -6.169 -15.222 1.00 0.00 H new ATOM 580 N ILE A 46 3.050 -4.872 -12.958 1.00 0.00 N ATOM 581 CA ILE A 46 1.690 -4.337 -13.089 1.00 0.00 C ATOM 582 C ILE A 46 1.530 -3.213 -12.055 1.00 0.00 C ATOM 583 O ILE A 46 1.138 -2.095 -12.391 1.00 0.00 O ATOM 584 CB ILE A 46 0.596 -5.454 -12.860 1.00 0.00 C ATOM 585 CG1 ILE A 46 0.611 -6.499 -14.017 1.00 0.00 C ATOM 586 CG2 ILE A 46 -0.804 -4.843 -12.663 1.00 0.00 C ATOM 587 CD1 ILE A 46 0.424 -5.924 -15.406 1.00 0.00 C ATOM 0 H ILE A 46 3.177 -5.454 -12.130 1.00 0.00 H new ATOM 0 HA ILE A 46 1.545 -3.958 -14.101 1.00 0.00 H new ATOM 0 HB ILE A 46 0.847 -5.980 -11.939 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.559 -7.036 -13.988 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.176 -7.231 -13.835 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.531 -5.641 -12.508 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.795 -4.186 -11.793 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.078 -4.269 -13.548 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.450 -6.730 -16.140 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.537 -5.413 -15.462 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.225 -5.215 -15.617 1.00 0.00 H new ATOM 599 N CYS A 47 1.836 -3.542 -10.786 1.00 0.00 N ATOM 600 CA CYS A 47 1.871 -2.580 -9.690 1.00 0.00 C ATOM 601 C CYS A 47 3.319 -2.612 -9.198 1.00 0.00 C ATOM 602 O CYS A 47 4.215 -2.139 -9.901 1.00 0.00 O ATOM 603 CB CYS A 47 0.810 -2.955 -8.603 1.00 0.00 C ATOM 604 SG CYS A 47 1.132 -4.515 -7.695 1.00 0.00 S ATOM 0 H CYS A 47 2.066 -4.493 -10.500 1.00 0.00 H new ATOM 0 HA CYS A 47 1.601 -1.565 -9.982 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.750 -2.140 -7.881 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.166 -3.028 -9.082 1.00 0.00 H new ATOM 609 N GLY A 48 3.556 -3.161 -8.020 1.00 0.00 N ATOM 610 CA GLY A 48 4.827 -3.736 -7.628 1.00 0.00 C ATOM 611 C GLY A 48 4.565 -4.876 -6.653 1.00 0.00 C ATOM 612 O GLY A 48 3.454 -4.946 -6.109 1.00 0.00 O ATOM 0 H GLY A 48 2.847 -3.220 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.362 -4.103 -8.504 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.458 -2.978 -7.163 1.00 0.00 H new ATOM 616 N PHE A 49 5.560 -5.738 -6.375 1.00 0.00 N ATOM 617 CA PHE A 49 5.461 -6.838 -5.419 1.00 0.00 C ATOM 618 C PHE A 49 6.781 -7.566 -5.549 1.00 0.00 C ATOM 619 O PHE A 49 7.019 -8.212 -6.576 1.00 0.00 O ATOM 620 CB PHE A 49 4.303 -7.837 -5.703 1.00 0.00 C ATOM 621 CG PHE A 49 4.284 -9.038 -4.747 1.00 0.00 C ATOM 622 CD1 PHE A 49 4.347 -8.851 -3.366 1.00 0.00 C ATOM 623 CD2 PHE A 49 4.211 -10.343 -5.226 1.00 0.00 C ATOM 624 CE1 PHE A 49 4.338 -9.927 -2.498 1.00 0.00 C ATOM 625 CE2 PHE A 49 4.199 -11.424 -4.360 1.00 0.00 C ATOM 626 CZ PHE A 49 4.262 -11.214 -2.995 1.00 0.00 C ATOM 0 H PHE A 49 6.474 -5.681 -6.824 1.00 0.00 H new ATOM 0 HA PHE A 49 5.250 -6.440 -4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.352 -7.309 -5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.389 -8.199 -6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.404 -7.849 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.163 -10.516 -6.291 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.390 -9.762 -1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.141 -12.429 -4.750 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.252 -12.055 -2.318 1.00 0.00 H new ATOM 636 N THR A 50 7.614 -7.506 -4.519 1.00 0.00 N ATOM 637 CA THR A 50 8.969 -8.014 -4.582 1.00 0.00 C ATOM 638 C THR A 50 9.044 -9.331 -3.796 1.00 0.00 C ATOM 639 O THR A 50 8.662 -9.382 -2.627 1.00 0.00 O ATOM 640 CB THR A 50 9.986 -6.938 -4.039 1.00 0.00 C ATOM 641 OG1 THR A 50 9.320 -6.059 -3.116 1.00 0.00 O ATOM 642 CG2 THR A 50 10.608 -6.100 -5.170 1.00 0.00 C ATOM 0 H THR A 50 7.364 -7.102 -3.616 1.00 0.00 H new ATOM 0 HA THR A 50 9.247 -8.216 -5.616 1.00 0.00 H new ATOM 0 HB THR A 50 10.790 -7.479 -3.539 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.740 -5.174 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.301 -5.373 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.145 -6.756 -5.856 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.820 -5.576 -5.711 1.00 0.00 H new ATOM 650 N CYS A 51 9.528 -10.387 -4.459 1.00 0.00 N ATOM 651 CA CYS A 51 9.613 -11.744 -3.876 1.00 0.00 C ATOM 652 C CYS A 51 10.888 -12.481 -4.335 1.00 0.00 C ATOM 653 O CYS A 51 11.559 -12.063 -5.293 1.00 0.00 O ATOM 654 CB CYS A 51 8.343 -12.556 -4.253 1.00 0.00 C ATOM 655 SG CYS A 51 8.291 -14.239 -3.587 1.00 0.00 S ATOM 0 H CYS A 51 9.874 -10.332 -5.417 1.00 0.00 H new ATOM 0 HA CYS A 51 9.669 -11.648 -2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.465 -12.014 -3.901 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.272 -12.608 -5.339 1.00 0.00 H new ATOM 0 HG CYS A 51 7.083 -14.512 -3.190 1.00 0.00 H new ATOM 661 N ARG A 52 11.191 -13.590 -3.623 1.00 0.00 N ATOM 662 CA ARG A 52 12.361 -14.456 -3.866 1.00 0.00 C ATOM 663 C ARG A 52 12.198 -15.243 -5.188 1.00 0.00 C ATOM 664 O ARG A 52 13.146 -15.362 -5.976 1.00 0.00 O ATOM 665 CB ARG A 52 12.534 -15.427 -2.656 1.00 0.00 C ATOM 666 CG ARG A 52 13.731 -16.406 -2.758 1.00 0.00 C ATOM 667 CD ARG A 52 13.801 -17.383 -1.570 1.00 0.00 C ATOM 668 NE ARG A 52 14.892 -18.375 -1.703 1.00 0.00 N ATOM 669 CZ ARG A 52 14.876 -19.625 -1.200 1.00 0.00 C ATOM 670 NH1 ARG A 52 13.792 -20.114 -0.604 1.00 0.00 N ATOM 671 NH2 ARG A 52 15.950 -20.392 -1.314 1.00 0.00 N ATOM 0 H ARG A 52 10.614 -13.913 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 52 13.254 -13.839 -3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.647 -14.834 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.619 -16.008 -2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.654 -16.973 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.658 -15.836 -2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.941 -16.817 -0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.849 -17.907 -1.480 1.00 0.00 H new ATOM 0 HE ARG A 52 15.725 -18.089 -2.218 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.953 -19.540 -0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.800 -21.063 -0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.784 -20.036 -1.781 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.943 -21.339 -0.935 1.00 0.00 H new ATOM 685 N GLN A 53 10.978 -15.771 -5.422 1.00 0.00 N ATOM 686 CA GLN A 53 10.649 -16.565 -6.623 1.00 0.00 C ATOM 687 C GLN A 53 9.680 -15.787 -7.537 1.00 0.00 C ATOM 688 O GLN A 53 8.674 -15.238 -7.062 1.00 0.00 O ATOM 689 CB GLN A 53 10.046 -17.947 -6.230 1.00 0.00 C ATOM 690 CG GLN A 53 8.816 -17.892 -5.306 1.00 0.00 C ATOM 691 CD GLN A 53 8.177 -19.261 -5.066 1.00 0.00 C ATOM 692 OE1 GLN A 53 7.283 -19.678 -5.794 1.00 0.00 O ATOM 693 NE2 GLN A 53 8.631 -19.965 -4.045 1.00 0.00 N ATOM 0 H GLN A 53 10.192 -15.658 -4.781 1.00 0.00 H new ATOM 0 HA GLN A 53 11.572 -16.746 -7.174 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.771 -18.477 -7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.821 -18.537 -5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.109 -17.463 -4.348 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.073 -17.223 -5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.376 -19.590 -3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.237 -20.884 -3.844 1.00 0.00 H new ATOM 702 N LYS A 54 10.025 -15.739 -8.841 1.00 0.00 N ATOM 703 CA LYS A 54 9.177 -15.186 -9.918 1.00 0.00 C ATOM 704 C LYS A 54 7.757 -15.782 -9.879 1.00 0.00 C ATOM 705 O LYS A 54 6.788 -15.075 -10.093 1.00 0.00 O ATOM 706 CB LYS A 54 9.819 -15.441 -11.311 1.00 0.00 C ATOM 707 CG LYS A 54 8.988 -14.910 -12.499 1.00 0.00 C ATOM 708 CD LYS A 54 9.622 -15.217 -13.871 1.00 0.00 C ATOM 709 CE LYS A 54 8.716 -14.782 -15.039 1.00 0.00 C ATOM 710 NZ LYS A 54 8.422 -13.326 -15.011 1.00 0.00 N ATOM 0 H LYS A 54 10.920 -16.091 -9.182 1.00 0.00 H new ATOM 0 HA LYS A 54 9.102 -14.111 -9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.804 -14.976 -11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.970 -16.513 -11.438 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.991 -15.348 -12.461 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.866 -13.832 -12.396 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.582 -14.707 -13.948 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.822 -16.286 -13.946 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.198 -15.035 -15.984 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.781 -15.340 -14.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.896 -13.062 -15.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.850 -13.103 -14.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.314 -12.792 -14.974 1.00 0.00 H new ATOM 724 N ALA A 55 7.674 -17.078 -9.548 1.00 0.00 N ATOM 725 CA ALA A 55 6.410 -17.852 -9.517 1.00 0.00 C ATOM 726 C ALA A 55 5.310 -17.159 -8.672 1.00 0.00 C ATOM 727 O ALA A 55 4.133 -17.186 -9.035 1.00 0.00 O ATOM 728 CB ALA A 55 6.685 -19.273 -8.994 1.00 0.00 C ATOM 0 H ALA A 55 8.490 -17.632 -9.290 1.00 0.00 H new ATOM 0 HA ALA A 55 6.030 -17.906 -10.537 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.754 -19.839 -8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.398 -19.771 -9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.099 -19.216 -7.987 1.00 0.00 H new ATOM 734 N SER A 56 5.714 -16.520 -7.560 1.00 0.00 N ATOM 735 CA SER A 56 4.774 -15.809 -6.668 1.00 0.00 C ATOM 736 C SER A 56 4.205 -14.534 -7.340 1.00 0.00 C ATOM 737 O SER A 56 2.986 -14.390 -7.487 1.00 0.00 O ATOM 738 CB SER A 56 5.470 -15.463 -5.336 1.00 0.00 C ATOM 739 OG SER A 56 5.912 -16.638 -4.674 1.00 0.00 O ATOM 0 H SER A 56 6.687 -16.480 -7.255 1.00 0.00 H new ATOM 0 HA SER A 56 3.932 -16.471 -6.465 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.319 -14.806 -5.525 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.781 -14.916 -4.693 1.00 0.00 H new ATOM 0 HG SER A 56 6.709 -16.433 -4.142 1.00 0.00 H new ATOM 745 N LEU A 57 5.106 -13.636 -7.781 1.00 0.00 N ATOM 746 CA LEU A 57 4.735 -12.306 -8.310 1.00 0.00 C ATOM 747 C LEU A 57 4.174 -12.354 -9.739 1.00 0.00 C ATOM 748 O LEU A 57 3.242 -11.607 -10.044 1.00 0.00 O ATOM 749 CB LEU A 57 5.948 -11.344 -8.238 1.00 0.00 C ATOM 750 CG LEU A 57 7.256 -11.844 -8.967 1.00 0.00 C ATOM 751 CD1 LEU A 57 7.742 -10.863 -10.050 1.00 0.00 C ATOM 752 CD2 LEU A 57 8.370 -12.182 -7.956 1.00 0.00 C ATOM 0 H LEU A 57 6.111 -13.810 -7.781 1.00 0.00 H new ATOM 0 HA LEU A 57 3.930 -11.933 -7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.656 -10.386 -8.669 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.184 -11.163 -7.189 1.00 0.00 H new ATOM 0 HG LEU A 57 6.993 -12.765 -9.487 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.644 -11.256 -10.519 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.965 -10.740 -10.804 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.962 -9.897 -9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.256 -12.523 -8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.617 -11.293 -7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.026 -12.969 -7.285 1.00 0.00 H new ATOM 764 N ASN A 58 4.795 -13.172 -10.608 1.00 0.00 N ATOM 765 CA ASN A 58 4.363 -13.363 -12.010 1.00 0.00 C ATOM 766 C ASN A 58 2.881 -13.670 -12.105 1.00 0.00 C ATOM 767 O ASN A 58 2.136 -12.961 -12.777 1.00 0.00 O ATOM 768 CB ASN A 58 5.140 -14.520 -12.692 1.00 0.00 C ATOM 769 CG ASN A 58 4.730 -14.767 -14.159 1.00 0.00 C ATOM 770 OD1 ASN A 58 4.504 -13.825 -14.924 1.00 0.00 O ATOM 771 ND2 ASN A 58 4.585 -16.027 -14.548 1.00 0.00 N ATOM 0 H ASN A 58 5.616 -13.724 -10.359 1.00 0.00 H new ATOM 0 HA ASN A 58 4.575 -12.424 -12.521 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.207 -14.300 -12.655 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.984 -15.436 -12.122 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.280 -16.235 -15.499 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.778 -16.787 -13.896 1.00 0.00 H new ATOM 778 N TRP A 59 2.457 -14.698 -11.371 1.00 0.00 N ATOM 779 CA TRP A 59 1.100 -15.213 -11.469 1.00 0.00 C ATOM 780 C TRP A 59 0.151 -14.294 -10.691 1.00 0.00 C ATOM 781 O TRP A 59 -0.982 -14.126 -11.118 1.00 0.00 O ATOM 782 CB TRP A 59 1.029 -16.689 -11.004 1.00 0.00 C ATOM 783 CG TRP A 59 1.853 -17.625 -11.885 1.00 0.00 C ATOM 784 CD1 TRP A 59 2.883 -18.431 -11.495 1.00 0.00 C ATOM 785 CD2 TRP A 59 1.713 -17.832 -13.309 1.00 0.00 C ATOM 786 NE1 TRP A 59 3.388 -19.113 -12.565 1.00 0.00 N ATOM 787 CE2 TRP A 59 2.687 -18.772 -13.687 1.00 0.00 C ATOM 788 CE3 TRP A 59 0.850 -17.329 -14.296 1.00 0.00 C ATOM 789 CZ2 TRP A 59 2.846 -19.195 -15.010 1.00 0.00 C ATOM 790 CZ3 TRP A 59 1.003 -17.752 -15.606 1.00 0.00 C ATOM 791 CH2 TRP A 59 1.989 -18.685 -15.951 1.00 0.00 C ATOM 0 H TRP A 59 3.043 -15.191 -10.697 1.00 0.00 H new ATOM 0 HA TRP A 59 0.781 -15.214 -12.511 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.383 -16.759 -9.976 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.011 -17.017 -11.006 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.248 -18.517 -10.482 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.165 -19.773 -12.532 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.077 -16.621 -14.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.618 -19.900 -15.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.353 -17.357 -16.372 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.076 -19.009 -16.978 1.00 0.00 H new ATOM 802 N HIS A 60 0.642 -13.695 -9.557 1.00 0.00 N ATOM 803 CA HIS A 60 -0.017 -12.529 -8.897 1.00 0.00 C ATOM 804 C HIS A 60 -0.457 -11.438 -9.912 1.00 0.00 C ATOM 805 O HIS A 60 -1.547 -10.857 -9.761 1.00 0.00 O ATOM 806 CB HIS A 60 0.937 -11.926 -7.798 1.00 0.00 C ATOM 807 CG HIS A 60 0.717 -10.466 -7.487 1.00 0.00 C ATOM 808 ND1 HIS A 60 -0.430 -9.980 -6.943 1.00 0.00 N ATOM 809 CD2 HIS A 60 1.457 -9.392 -7.825 1.00 0.00 C ATOM 810 CE1 HIS A 60 -0.368 -8.654 -6.989 1.00 0.00 C ATOM 811 NE2 HIS A 60 0.762 -8.215 -7.532 1.00 0.00 N ATOM 0 H HIS A 60 1.492 -14.005 -9.086 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.929 -12.892 -8.422 1.00 0.00 H new ATOM 0 HB2 HIS A 60 0.814 -12.499 -6.879 1.00 0.00 H new ATOM 0 HB3 HIS A 60 1.969 -12.060 -8.122 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -1.200 -10.534 -6.567 1.00 0.00 H new ATOM 0 HD2 HIS A 60 2.445 -9.434 -8.260 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.150 -8.004 -6.625 1.00 0.00 H new ATOM 819 N MET A 61 0.394 -11.146 -10.922 1.00 0.00 N ATOM 820 CA MET A 61 0.046 -10.150 -11.962 1.00 0.00 C ATOM 821 C MET A 61 -1.202 -10.591 -12.749 1.00 0.00 C ATOM 822 O MET A 61 -2.119 -9.799 -12.940 1.00 0.00 O ATOM 823 CB MET A 61 1.197 -9.893 -12.958 1.00 0.00 C ATOM 824 CG MET A 61 2.556 -9.562 -12.345 1.00 0.00 C ATOM 825 SD MET A 61 3.734 -8.918 -13.558 1.00 0.00 S ATOM 826 CE MET A 61 3.707 -10.187 -14.834 1.00 0.00 C ATOM 0 H MET A 61 1.311 -11.577 -11.039 1.00 0.00 H new ATOM 0 HA MET A 61 -0.154 -9.220 -11.429 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.310 -10.776 -13.586 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.907 -9.071 -13.613 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.422 -8.828 -11.550 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.970 -10.459 -11.884 1.00 0.00 H new ATOM 0 HE1 MET A 61 4.512 -10.004 -15.546 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.843 -11.167 -14.376 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.749 -10.160 -15.354 1.00 0.00 H new ATOM 836 N LYS A 62 -1.200 -11.869 -13.190 1.00 0.00 N ATOM 837 CA LYS A 62 -2.350 -12.500 -13.899 1.00 0.00 C ATOM 838 C LYS A 62 -3.628 -12.448 -13.036 1.00 0.00 C ATOM 839 O LYS A 62 -4.722 -12.196 -13.562 1.00 0.00 O ATOM 840 CB LYS A 62 -2.045 -13.984 -14.309 1.00 0.00 C ATOM 841 CG LYS A 62 -1.065 -14.172 -15.499 1.00 0.00 C ATOM 842 CD LYS A 62 0.395 -13.795 -15.163 1.00 0.00 C ATOM 843 CE LYS A 62 1.367 -14.025 -16.332 1.00 0.00 C ATOM 844 NZ LYS A 62 1.041 -13.176 -17.503 1.00 0.00 N ATOM 0 H LYS A 62 -0.405 -12.496 -13.068 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.512 -11.924 -14.810 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.637 -14.503 -13.442 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.987 -14.472 -14.559 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.097 -15.212 -15.825 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.404 -13.565 -16.338 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.434 -12.746 -14.869 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.725 -14.380 -14.304 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.385 -13.814 -16.004 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.338 -15.074 -16.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.769 -13.300 -18.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.114 -13.453 -17.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.011 -12.178 -17.211 1.00 0.00 H new ATOM 858 N LYS A 63 -3.454 -12.676 -11.712 1.00 0.00 N ATOM 859 CA LYS A 63 -4.564 -12.652 -10.733 1.00 0.00 C ATOM 860 C LYS A 63 -5.249 -11.269 -10.737 1.00 0.00 C ATOM 861 O LYS A 63 -6.477 -11.184 -10.773 1.00 0.00 O ATOM 862 CB LYS A 63 -4.094 -12.977 -9.275 1.00 0.00 C ATOM 863 CG LYS A 63 -3.296 -14.290 -9.081 1.00 0.00 C ATOM 864 CD LYS A 63 -4.042 -15.572 -9.532 1.00 0.00 C ATOM 865 CE LYS A 63 -5.241 -15.931 -8.637 1.00 0.00 C ATOM 866 NZ LYS A 63 -5.904 -17.181 -9.081 1.00 0.00 N ATOM 0 H LYS A 63 -2.545 -12.880 -11.296 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.264 -13.428 -11.041 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.479 -12.149 -8.923 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.974 -13.015 -8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.360 -14.216 -9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.035 -14.389 -8.027 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.390 -15.439 -10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.341 -16.407 -9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.904 -16.044 -7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.961 -15.113 -8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.904 -16.988 -9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.433 -17.539 -9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.841 -17.894 -8.327 1.00 0.00 H new ATOM 880 N HIS A 64 -4.444 -10.183 -10.721 1.00 0.00 N ATOM 881 CA HIS A 64 -4.976 -8.809 -10.553 1.00 0.00 C ATOM 882 C HIS A 64 -4.910 -7.973 -11.855 1.00 0.00 C ATOM 883 O HIS A 64 -5.163 -6.771 -11.833 1.00 0.00 O ATOM 884 CB HIS A 64 -4.295 -8.109 -9.338 1.00 0.00 C ATOM 885 CG HIS A 64 -3.091 -7.233 -9.605 1.00 0.00 C ATOM 886 ND1 HIS A 64 -3.091 -5.914 -9.264 1.00 0.00 N ATOM 887 CD2 HIS A 64 -1.803 -7.523 -9.961 1.00 0.00 C ATOM 888 CE1 HIS A 64 -1.859 -5.459 -9.375 1.00 0.00 C ATOM 889 NE2 HIS A 64 -1.008 -6.394 -9.780 1.00 0.00 N ATOM 0 H HIS A 64 -3.430 -10.229 -10.822 1.00 0.00 H new ATOM 0 HA HIS A 64 -6.040 -8.888 -10.331 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.048 -7.498 -8.840 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.994 -8.883 -8.632 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.904 -5.372 -8.973 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.456 -8.479 -10.326 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.574 -4.440 -9.161 1.00 0.00 H new ATOM 897 N ASP A 65 -4.585 -8.625 -12.986 1.00 0.00 N ATOM 898 CA ASP A 65 -4.652 -8.001 -14.339 1.00 0.00 C ATOM 899 C ASP A 65 -6.064 -7.442 -14.625 1.00 0.00 C ATOM 900 O ASP A 65 -6.219 -6.417 -15.292 1.00 0.00 O ATOM 901 CB ASP A 65 -4.219 -9.039 -15.413 1.00 0.00 C ATOM 902 CG ASP A 65 -4.435 -8.566 -16.866 1.00 0.00 C ATOM 903 OD1 ASP A 65 -3.721 -7.642 -17.308 1.00 0.00 O ATOM 904 OD2 ASP A 65 -5.318 -9.121 -17.569 1.00 0.00 O ATOM 0 H ASP A 65 -4.269 -9.595 -12.998 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.964 -7.157 -14.376 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.164 -9.274 -15.271 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.776 -9.963 -15.256 1.00 0.00 H new ATOM 909 N ALA A 66 -7.076 -8.126 -14.089 1.00 0.00 N ATOM 910 CA ALA A 66 -8.467 -7.641 -14.089 1.00 0.00 C ATOM 911 C ALA A 66 -8.830 -7.015 -12.723 1.00 0.00 C ATOM 912 O ALA A 66 -9.651 -6.091 -12.659 1.00 0.00 O ATOM 913 CB ALA A 66 -9.428 -8.782 -14.436 1.00 0.00 C ATOM 0 H ALA A 66 -6.959 -9.035 -13.640 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.562 -6.866 -14.850 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.452 -8.409 -14.432 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.188 -9.172 -15.425 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.329 -9.578 -13.698 1.00 0.00 H new ATOM 919 N ASP A 67 -8.212 -7.567 -11.643 1.00 0.00 N ATOM 920 CA ASP A 67 -8.479 -7.215 -10.212 1.00 0.00 C ATOM 921 C ASP A 67 -9.831 -7.788 -9.766 1.00 0.00 C ATOM 922 O ASP A 67 -10.344 -7.400 -8.712 1.00 0.00 O ATOM 923 CB ASP A 67 -8.443 -5.684 -9.897 1.00 0.00 C ATOM 924 CG ASP A 67 -7.071 -5.021 -10.074 1.00 0.00 C ATOM 925 OD1 ASP A 67 -6.182 -5.243 -9.223 1.00 0.00 O ATOM 926 OD2 ASP A 67 -6.886 -4.242 -11.036 1.00 0.00 O ATOM 0 H ASP A 67 -7.496 -8.287 -11.741 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.658 -7.663 -9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.161 -5.178 -10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.775 -5.531 -8.870 1.00 0.00 H new ATOM 931 N SER A 68 -10.345 -8.778 -10.526 1.00 0.00 N ATOM 932 CA SER A 68 -11.719 -9.303 -10.366 1.00 0.00 C ATOM 933 C SER A 68 -11.948 -9.883 -8.954 1.00 0.00 C ATOM 934 O SER A 68 -13.070 -9.883 -8.452 1.00 0.00 O ATOM 935 CB SER A 68 -11.998 -10.378 -11.442 1.00 0.00 C ATOM 936 OG SER A 68 -13.351 -10.800 -11.424 1.00 0.00 O ATOM 0 H SER A 68 -9.819 -9.237 -11.269 1.00 0.00 H new ATOM 0 HA SER A 68 -12.414 -8.473 -10.494 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.755 -9.979 -12.427 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.347 -11.236 -11.276 1.00 0.00 H new ATOM 0 HG SER A 68 -13.491 -11.478 -12.118 1.00 0.00 H new ATOM 942 N PHE A 69 -10.856 -10.344 -8.322 1.00 0.00 N ATOM 943 CA PHE A 69 -10.889 -10.943 -6.978 1.00 0.00 C ATOM 944 C PHE A 69 -11.201 -9.893 -5.889 1.00 0.00 C ATOM 945 O PHE A 69 -12.082 -10.122 -5.048 1.00 0.00 O ATOM 946 CB PHE A 69 -9.529 -11.626 -6.676 1.00 0.00 C ATOM 947 CG PHE A 69 -9.234 -12.809 -7.586 1.00 0.00 C ATOM 948 CD1 PHE A 69 -9.667 -14.092 -7.247 1.00 0.00 C ATOM 949 CD2 PHE A 69 -8.543 -12.640 -8.783 1.00 0.00 C ATOM 950 CE1 PHE A 69 -9.416 -15.160 -8.078 1.00 0.00 C ATOM 951 CE2 PHE A 69 -8.299 -13.712 -9.613 1.00 0.00 C ATOM 952 CZ PHE A 69 -8.734 -14.970 -9.260 1.00 0.00 C ATOM 0 H PHE A 69 -9.922 -10.311 -8.731 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.688 -11.684 -6.963 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.731 -10.891 -6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.522 -11.963 -5.640 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.204 -14.248 -6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.194 -11.657 -9.064 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.754 -16.148 -7.803 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.766 -13.566 -10.541 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.540 -15.810 -9.911 1.00 0.00 H new ATOM 962 N TYR A 70 -10.506 -8.727 -5.955 1.00 0.00 N ATOM 963 CA TYR A 70 -10.550 -7.666 -4.901 1.00 0.00 C ATOM 964 C TYR A 70 -10.430 -8.253 -3.463 1.00 0.00 C ATOM 965 O TYR A 70 -10.998 -7.708 -2.511 1.00 0.00 O ATOM 966 CB TYR A 70 -11.850 -6.807 -5.038 1.00 0.00 C ATOM 967 CG TYR A 70 -11.901 -5.906 -6.285 1.00 0.00 C ATOM 968 CD1 TYR A 70 -10.960 -4.883 -6.471 1.00 0.00 C ATOM 969 CD2 TYR A 70 -12.878 -6.072 -7.278 1.00 0.00 C ATOM 970 CE1 TYR A 70 -10.994 -4.066 -7.586 1.00 0.00 C ATOM 971 CE2 TYR A 70 -12.911 -5.252 -8.397 1.00 0.00 C ATOM 972 CZ TYR A 70 -11.967 -4.253 -8.547 1.00 0.00 C ATOM 973 OH TYR A 70 -11.997 -3.437 -9.663 1.00 0.00 O ATOM 0 H TYR A 70 -9.898 -8.491 -6.739 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.683 -7.024 -5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.710 -7.476 -5.055 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.950 -6.182 -4.151 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -10.192 -4.730 -5.727 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.617 -6.852 -7.170 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.260 -3.283 -7.705 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -13.673 -5.394 -9.149 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.743 -3.701 -10.242 1.00 0.00 H new ATOM 983 N GLN A 71 -9.620 -9.325 -3.298 1.00 0.00 N ATOM 984 CA GLN A 71 -9.614 -10.149 -2.063 1.00 0.00 C ATOM 985 C GLN A 71 -8.712 -9.568 -0.967 1.00 0.00 C ATOM 986 O GLN A 71 -8.702 -10.089 0.154 1.00 0.00 O ATOM 987 CB GLN A 71 -9.200 -11.620 -2.385 1.00 0.00 C ATOM 988 CG GLN A 71 -10.262 -12.430 -3.152 1.00 0.00 C ATOM 989 CD GLN A 71 -11.575 -12.595 -2.378 1.00 0.00 C ATOM 990 OE1 GLN A 71 -11.758 -13.554 -1.636 1.00 0.00 O ATOM 991 NE2 GLN A 71 -12.496 -11.651 -2.538 1.00 0.00 N ATOM 0 H GLN A 71 -8.959 -9.642 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.633 -10.139 -1.675 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.280 -11.605 -2.970 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.975 -12.133 -1.450 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.468 -11.938 -4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.859 -13.416 -3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.317 -10.864 -3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.382 -11.713 -2.037 1.00 0.00 H new ATOM 1000 N PHE A 72 -7.964 -8.486 -1.270 1.00 0.00 N ATOM 1001 CA PHE A 72 -7.029 -7.879 -0.335 1.00 0.00 C ATOM 1002 C PHE A 72 -7.157 -6.366 -0.514 1.00 0.00 C ATOM 1003 O PHE A 72 -7.149 -5.853 -1.638 1.00 0.00 O ATOM 1004 CB PHE A 72 -5.563 -8.323 -0.626 1.00 0.00 C ATOM 1005 CG PHE A 72 -5.363 -9.840 -0.713 1.00 0.00 C ATOM 1006 CD1 PHE A 72 -5.306 -10.625 0.436 1.00 0.00 C ATOM 1007 CD2 PHE A 72 -5.252 -10.480 -1.952 1.00 0.00 C ATOM 1008 CE1 PHE A 72 -5.138 -11.994 0.353 1.00 0.00 C ATOM 1009 CE2 PHE A 72 -5.086 -11.850 -2.034 1.00 0.00 C ATOM 1010 CZ PHE A 72 -5.029 -12.606 -0.880 1.00 0.00 C ATOM 0 H PHE A 72 -8.001 -8.017 -2.175 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.259 -8.189 0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.240 -7.872 -1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.915 -7.928 0.157 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.394 -10.157 1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.297 -9.895 -2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.092 -12.587 1.255 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.001 -12.328 -2.999 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.899 -13.676 -0.942 1.00 0.00 H new ATOM 1020 N SER A 73 -7.269 -5.694 0.607 1.00 0.00 N ATOM 1021 CA SER A 73 -7.318 -4.244 0.713 1.00 0.00 C ATOM 1022 C SER A 73 -6.881 -3.829 2.110 1.00 0.00 C ATOM 1023 O SER A 73 -6.783 -4.656 3.029 1.00 0.00 O ATOM 1024 CB SER A 73 -8.736 -3.708 0.383 1.00 0.00 C ATOM 1025 OG SER A 73 -9.735 -4.356 1.148 1.00 0.00 O ATOM 0 H SER A 73 -7.332 -6.158 1.513 1.00 0.00 H new ATOM 0 HA SER A 73 -6.635 -3.808 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.772 -2.635 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.941 -3.851 -0.678 1.00 0.00 H new ATOM 0 HG SER A 73 -10.614 -3.991 0.914 1.00 0.00 H new ATOM 1031 N CYS A 74 -6.601 -2.542 2.249 1.00 0.00 N ATOM 1032 CA CYS A 74 -6.248 -1.947 3.542 1.00 0.00 C ATOM 1033 C CYS A 74 -7.541 -1.550 4.244 1.00 0.00 C ATOM 1034 O CYS A 74 -8.346 -0.826 3.667 1.00 0.00 O ATOM 1035 CB CYS A 74 -5.312 -0.734 3.360 1.00 0.00 C ATOM 1036 SG CYS A 74 -4.892 0.160 4.897 1.00 0.00 S ATOM 0 H CYS A 74 -6.610 -1.877 1.475 1.00 0.00 H new ATOM 0 HA CYS A 74 -5.704 -2.670 4.150 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.388 -1.075 2.893 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -5.780 -0.034 2.668 1.00 0.00 H new ATOM 1041 N ASN A 75 -7.756 -2.047 5.470 1.00 0.00 N ATOM 1042 CA ASN A 75 -8.961 -1.716 6.268 1.00 0.00 C ATOM 1043 C ASN A 75 -9.015 -0.202 6.589 1.00 0.00 C ATOM 1044 O ASN A 75 -10.096 0.367 6.772 1.00 0.00 O ATOM 1045 CB ASN A 75 -8.974 -2.564 7.569 1.00 0.00 C ATOM 1046 CG ASN A 75 -10.221 -2.337 8.432 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -11.252 -2.975 8.235 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -10.133 -1.436 9.401 1.00 0.00 N ATOM 0 H ASN A 75 -7.112 -2.684 5.939 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.849 -1.956 5.683 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.911 -3.620 7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.087 -2.328 8.157 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.935 -1.258 10.006 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.264 -0.921 9.541 1.00 0.00 H new ATOM 1055 N ILE A 76 -7.831 0.443 6.616 1.00 0.00 N ATOM 1056 CA ILE A 76 -7.689 1.838 7.056 1.00 0.00 C ATOM 1057 C ILE A 76 -7.785 2.843 5.869 1.00 0.00 C ATOM 1058 O ILE A 76 -8.450 3.871 6.004 1.00 0.00 O ATOM 1059 CB ILE A 76 -6.346 2.052 7.868 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -6.096 0.850 8.862 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -6.368 3.414 8.619 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -5.089 1.090 9.982 1.00 0.00 C ATOM 0 H ILE A 76 -6.952 0.010 6.334 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.527 2.044 7.722 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.516 2.076 7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.050 0.577 9.314 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.761 -0.009 8.281 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.436 3.541 9.170 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.477 4.225 7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.207 3.432 9.315 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.006 0.193 10.595 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.116 1.327 9.552 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.425 1.922 10.601 1.00 0.00 H new ATOM 1074 N CYS A 77 -7.134 2.567 4.691 1.00 0.00 N ATOM 1075 CA CYS A 77 -7.154 3.539 3.555 1.00 0.00 C ATOM 1076 C CYS A 77 -7.379 2.863 2.179 1.00 0.00 C ATOM 1077 O CYS A 77 -7.287 3.528 1.142 1.00 0.00 O ATOM 1078 CB CYS A 77 -5.884 4.434 3.569 1.00 0.00 C ATOM 1079 SG CYS A 77 -4.314 3.613 3.177 1.00 0.00 S ATOM 0 H CYS A 77 -6.609 1.711 4.511 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.020 4.184 3.706 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -6.031 5.247 2.858 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.796 4.886 4.557 1.00 0.00 H new ATOM 1084 N GLY A 78 -7.698 1.549 2.203 1.00 0.00 N ATOM 1085 CA GLY A 78 -8.243 0.803 1.043 1.00 0.00 C ATOM 1086 C GLY A 78 -7.533 0.959 -0.301 1.00 0.00 C ATOM 1087 O GLY A 78 -8.196 1.006 -1.331 1.00 0.00 O ATOM 0 H GLY A 78 -7.584 0.970 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.248 -0.257 1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.282 1.103 0.910 1.00 0.00 H new ATOM 1091 N LYS A 79 -6.190 1.050 -0.296 1.00 0.00 N ATOM 1092 CA LYS A 79 -5.395 1.150 -1.544 1.00 0.00 C ATOM 1093 C LYS A 79 -5.419 -0.154 -2.386 1.00 0.00 C ATOM 1094 O LYS A 79 -5.251 -0.100 -3.612 1.00 0.00 O ATOM 1095 CB LYS A 79 -3.931 1.498 -1.211 1.00 0.00 C ATOM 1096 CG LYS A 79 -3.133 2.072 -2.394 1.00 0.00 C ATOM 1097 CD LYS A 79 -1.616 1.780 -2.332 1.00 0.00 C ATOM 1098 CE LYS A 79 -1.284 0.293 -2.594 1.00 0.00 C ATOM 1099 NZ LYS A 79 0.175 0.035 -2.600 1.00 0.00 N ATOM 0 H LYS A 79 -5.629 1.057 0.556 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.856 1.938 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.918 2.220 -0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.429 0.600 -0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.533 1.663 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.283 3.151 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.101 2.398 -3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.235 2.066 -1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.756 -0.323 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.708 -0.008 -3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.432 -0.486 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.688 0.940 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.431 -0.530 -1.765 1.00 0.00 H new ATOM 1113 N LYS A 80 -5.622 -1.303 -1.690 1.00 0.00 N ATOM 1114 CA LYS A 80 -5.527 -2.675 -2.241 1.00 0.00 C ATOM 1115 C LYS A 80 -4.061 -3.089 -2.382 1.00 0.00 C ATOM 1116 O LYS A 80 -3.273 -2.411 -3.046 1.00 0.00 O ATOM 1117 CB LYS A 80 -6.309 -2.925 -3.584 1.00 0.00 C ATOM 1118 CG LYS A 80 -7.835 -3.143 -3.430 1.00 0.00 C ATOM 1119 CD LYS A 80 -8.602 -1.880 -2.988 1.00 0.00 C ATOM 1120 CE LYS A 80 -8.557 -0.756 -4.041 1.00 0.00 C ATOM 1121 NZ LYS A 80 -8.997 -1.218 -5.385 1.00 0.00 N ATOM 0 H LYS A 80 -5.864 -1.297 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.033 -3.307 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.145 -2.074 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.882 -3.798 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.241 -3.489 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.008 -3.935 -2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.641 -2.143 -2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.180 -1.513 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.194 0.067 -3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.541 -0.366 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.144 -0.395 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.267 -1.834 -5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.888 -1.748 -5.296 1.00 0.00 H new ATOM 1135 N PHE A 81 -3.705 -4.190 -1.705 1.00 0.00 N ATOM 1136 CA PHE A 81 -2.368 -4.797 -1.770 1.00 0.00 C ATOM 1137 C PHE A 81 -2.452 -6.210 -2.299 1.00 0.00 C ATOM 1138 O PHE A 81 -3.536 -6.771 -2.485 1.00 0.00 O ATOM 1139 CB PHE A 81 -1.678 -4.782 -0.384 1.00 0.00 C ATOM 1140 CG PHE A 81 -1.221 -3.401 0.024 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -2.113 -2.488 0.575 1.00 0.00 C ATOM 1142 CD2 PHE A 81 0.105 -3.009 -0.160 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -1.694 -1.233 0.927 1.00 0.00 C ATOM 1144 CE2 PHE A 81 0.517 -1.753 0.197 1.00 0.00 C ATOM 1145 CZ PHE A 81 -0.380 -0.866 0.741 1.00 0.00 C ATOM 0 H PHE A 81 -4.346 -4.690 -1.089 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.764 -4.202 -2.455 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.369 -5.168 0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.820 -5.454 -0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.144 -2.771 0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.813 -3.703 -0.588 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.395 -0.530 1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.546 -1.460 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.053 0.124 1.024 1.00 0.00 H new ATOM 1155 N GLU A 82 -1.265 -6.731 -2.573 1.00 0.00 N ATOM 1156 CA GLU A 82 -1.053 -8.040 -3.191 1.00 0.00 C ATOM 1157 C GLU A 82 -1.448 -9.190 -2.245 1.00 0.00 C ATOM 1158 O GLU A 82 -1.833 -10.271 -2.706 1.00 0.00 O ATOM 1159 CB GLU A 82 0.449 -8.188 -3.652 1.00 0.00 C ATOM 1160 CG GLU A 82 1.243 -6.869 -3.964 1.00 0.00 C ATOM 1161 CD GLU A 82 0.469 -5.716 -4.661 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -0.210 -5.949 -5.676 1.00 0.00 O ATOM 1163 OE2 GLU A 82 0.538 -4.568 -4.171 1.00 0.00 O ATOM 0 H GLU A 82 -0.394 -6.243 -2.367 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.700 -8.104 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.988 -8.730 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.467 -8.811 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.643 -6.487 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.096 -7.130 -4.591 1.00 0.00 H new ATOM 1170 N LYS A 83 -1.333 -8.934 -0.927 1.00 0.00 N ATOM 1171 CA LYS A 83 -1.607 -9.914 0.121 1.00 0.00 C ATOM 1172 C LYS A 83 -1.800 -9.186 1.459 1.00 0.00 C ATOM 1173 O LYS A 83 -1.464 -7.995 1.594 1.00 0.00 O ATOM 1174 CB LYS A 83 -0.461 -10.967 0.186 1.00 0.00 C ATOM 1175 CG LYS A 83 0.924 -10.412 0.606 1.00 0.00 C ATOM 1176 CD LYS A 83 2.112 -11.288 0.132 1.00 0.00 C ATOM 1177 CE LYS A 83 2.052 -12.748 0.626 1.00 0.00 C ATOM 1178 NZ LYS A 83 2.180 -12.860 2.109 1.00 0.00 N ATOM 0 H LYS A 83 -1.043 -8.026 -0.564 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.526 -10.455 -0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.748 -11.750 0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.365 -11.436 -0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.041 -9.406 0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.958 -10.325 1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.140 -11.285 -0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.043 -10.837 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.109 -13.195 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.849 -13.321 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.253 -13.862 2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.033 -12.355 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.343 -12.441 2.562 1.00 0.00 H new ATOM 1192 N LYS A 84 -2.344 -9.919 2.435 1.00 0.00 N ATOM 1193 CA LYS A 84 -2.643 -9.406 3.788 1.00 0.00 C ATOM 1194 C LYS A 84 -1.368 -8.925 4.487 1.00 0.00 C ATOM 1195 O LYS A 84 -1.383 -7.918 5.198 1.00 0.00 O ATOM 1196 CB LYS A 84 -3.325 -10.512 4.629 1.00 0.00 C ATOM 1197 CG LYS A 84 -4.610 -11.073 3.991 1.00 0.00 C ATOM 1198 CD LYS A 84 -5.325 -12.125 4.867 1.00 0.00 C ATOM 1199 CE LYS A 84 -6.610 -12.665 4.206 1.00 0.00 C ATOM 1200 NZ LYS A 84 -7.593 -11.578 3.936 1.00 0.00 N ATOM 0 H LYS A 84 -2.595 -10.900 2.312 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.319 -8.556 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.619 -11.328 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.564 -10.111 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.297 -10.250 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.363 -11.521 3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.645 -12.954 5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.574 -11.682 5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.355 -13.165 3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.065 -13.414 4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.502 -11.995 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.727 -11.010 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.237 -10.970 3.171 1.00 0.00 H new ATOM 1214 N ASP A 85 -0.271 -9.657 4.254 1.00 0.00 N ATOM 1215 CA ASP A 85 1.045 -9.342 4.824 1.00 0.00 C ATOM 1216 C ASP A 85 1.566 -7.989 4.307 1.00 0.00 C ATOM 1217 O ASP A 85 2.161 -7.241 5.074 1.00 0.00 O ATOM 1218 CB ASP A 85 2.047 -10.477 4.505 1.00 0.00 C ATOM 1219 CG ASP A 85 3.466 -10.216 5.048 1.00 0.00 C ATOM 1220 OD1 ASP A 85 3.657 -10.250 6.286 1.00 0.00 O ATOM 1221 OD2 ASP A 85 4.392 -9.983 4.241 1.00 0.00 O ATOM 0 H ASP A 85 -0.272 -10.488 3.662 1.00 0.00 H new ATOM 0 HA ASP A 85 0.941 -9.262 5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.672 -11.410 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.099 -10.612 3.425 1.00 0.00 H new ATOM 1226 N SER A 86 1.315 -7.682 3.016 1.00 0.00 N ATOM 1227 CA SER A 86 1.704 -6.395 2.406 1.00 0.00 C ATOM 1228 C SER A 86 0.920 -5.220 3.035 1.00 0.00 C ATOM 1229 O SER A 86 1.425 -4.103 3.112 1.00 0.00 O ATOM 1230 CB SER A 86 1.482 -6.442 0.878 1.00 0.00 C ATOM 1231 OG SER A 86 2.232 -7.485 0.287 1.00 0.00 O ATOM 0 H SER A 86 0.840 -8.315 2.372 1.00 0.00 H new ATOM 0 HA SER A 86 2.763 -6.230 2.602 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.423 -6.586 0.665 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.769 -5.488 0.436 1.00 0.00 H new ATOM 0 HG SER A 86 2.073 -7.495 -0.680 1.00 0.00 H new ATOM 1237 N VAL A 87 -0.315 -5.515 3.487 1.00 0.00 N ATOM 1238 CA VAL A 87 -1.237 -4.530 4.096 1.00 0.00 C ATOM 1239 C VAL A 87 -0.768 -4.168 5.508 1.00 0.00 C ATOM 1240 O VAL A 87 -0.698 -2.998 5.866 1.00 0.00 O ATOM 1241 CB VAL A 87 -2.721 -5.086 4.176 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -3.667 -4.122 4.944 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -3.288 -5.398 2.774 1.00 0.00 C ATOM 0 H VAL A 87 -0.707 -6.455 3.440 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.230 -3.645 3.459 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.672 -6.018 4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.671 -4.544 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.301 -3.987 5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.694 -3.158 4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.306 -5.777 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.294 -4.489 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.665 -6.150 2.289 1.00 0.00 H new ATOM 1253 N VAL A 88 -0.472 -5.213 6.291 1.00 0.00 N ATOM 1254 CA VAL A 88 -0.102 -5.104 7.713 1.00 0.00 C ATOM 1255 C VAL A 88 1.321 -4.550 7.840 1.00 0.00 C ATOM 1256 O VAL A 88 1.626 -3.780 8.765 1.00 0.00 O ATOM 1257 CB VAL A 88 -0.239 -6.488 8.449 1.00 0.00 C ATOM 1258 CG1 VAL A 88 0.164 -6.381 9.944 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -1.685 -7.038 8.313 1.00 0.00 C ATOM 0 H VAL A 88 -0.482 -6.175 5.951 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.792 -4.413 8.197 1.00 0.00 H new ATOM 0 HB VAL A 88 0.447 -7.186 7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.057 -7.356 10.420 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.201 -6.052 10.019 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.482 -5.660 10.444 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.760 -7.996 8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.386 -6.331 8.757 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.925 -7.174 7.258 1.00 0.00 H new ATOM 1269 N ALA A 89 2.182 -4.927 6.875 1.00 0.00 N ATOM 1270 CA ALA A 89 3.551 -4.385 6.776 1.00 0.00 C ATOM 1271 C ALA A 89 3.480 -2.881 6.457 1.00 0.00 C ATOM 1272 O ALA A 89 4.244 -2.084 6.992 1.00 0.00 O ATOM 1273 CB ALA A 89 4.381 -5.137 5.720 1.00 0.00 C ATOM 0 H ALA A 89 1.952 -5.607 6.151 1.00 0.00 H new ATOM 0 HA ALA A 89 4.054 -4.526 7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.383 -4.711 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.446 -6.191 5.991 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.902 -5.042 4.746 1.00 0.00 H new ATOM 1279 N HIS A 90 2.490 -2.517 5.614 1.00 0.00 N ATOM 1280 CA HIS A 90 2.188 -1.109 5.261 1.00 0.00 C ATOM 1281 C HIS A 90 1.525 -0.363 6.441 1.00 0.00 C ATOM 1282 O HIS A 90 1.705 0.835 6.588 1.00 0.00 O ATOM 1283 CB HIS A 90 1.279 -1.074 3.988 1.00 0.00 C ATOM 1284 CG HIS A 90 0.258 0.040 3.919 1.00 0.00 C ATOM 1285 ND1 HIS A 90 0.513 1.286 3.406 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -1.056 0.051 4.281 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -0.614 1.994 3.460 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -1.601 1.286 3.984 1.00 0.00 N ATOM 0 H HIS A 90 1.875 -3.191 5.157 1.00 0.00 H new ATOM 0 HA HIS A 90 3.123 -0.593 5.043 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.922 -1.002 3.111 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.751 -2.025 3.919 1.00 0.00 H new ATOM 0 HD1 HIS A 90 1.409 1.613 3.046 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.588 -0.775 4.729 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.710 3.015 3.120 1.00 0.00 H new ATOM 1296 N LYS A 91 0.738 -1.090 7.241 1.00 0.00 N ATOM 1297 CA LYS A 91 -0.045 -0.535 8.367 1.00 0.00 C ATOM 1298 C LYS A 91 0.911 -0.113 9.493 1.00 0.00 C ATOM 1299 O LYS A 91 0.713 0.905 10.150 1.00 0.00 O ATOM 1300 CB LYS A 91 -1.058 -1.600 8.878 1.00 0.00 C ATOM 1301 CG LYS A 91 -1.877 -1.170 10.116 1.00 0.00 C ATOM 1302 CD LYS A 91 -2.716 -2.322 10.712 1.00 0.00 C ATOM 1303 CE LYS A 91 -3.427 -1.918 12.018 1.00 0.00 C ATOM 1304 NZ LYS A 91 -4.149 -3.057 12.643 1.00 0.00 N ATOM 0 H LYS A 91 0.620 -2.097 7.129 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.603 0.340 8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.748 -1.843 8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.514 -2.513 9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.199 -0.789 10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.540 -0.350 9.840 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.459 -2.642 9.981 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.068 -3.178 10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.693 -1.526 12.722 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.132 -1.113 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.611 -2.737 13.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.868 -3.416 11.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.474 -3.816 12.866 1.00 0.00 H new ATOM 1318 N ALA A 92 1.968 -0.916 9.659 1.00 0.00 N ATOM 1319 CA ALA A 92 3.052 -0.645 10.599 1.00 0.00 C ATOM 1320 C ALA A 92 3.791 0.656 10.221 1.00 0.00 C ATOM 1321 O ALA A 92 4.177 1.444 11.088 1.00 0.00 O ATOM 1322 CB ALA A 92 4.013 -1.843 10.613 1.00 0.00 C ATOM 0 H ALA A 92 2.093 -1.783 9.136 1.00 0.00 H new ATOM 0 HA ALA A 92 2.640 -0.506 11.599 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.826 -1.649 11.313 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.474 -2.738 10.922 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.422 -1.993 9.614 1.00 0.00 H new ATOM 1328 N LYS A 93 3.926 0.892 8.909 1.00 0.00 N ATOM 1329 CA LYS A 93 4.762 1.986 8.375 1.00 0.00 C ATOM 1330 C LYS A 93 3.964 3.299 8.262 1.00 0.00 C ATOM 1331 O LYS A 93 4.410 4.359 8.719 1.00 0.00 O ATOM 1332 CB LYS A 93 5.331 1.587 6.983 1.00 0.00 C ATOM 1333 CG LYS A 93 6.272 0.360 7.003 1.00 0.00 C ATOM 1334 CD LYS A 93 6.762 -0.058 5.593 1.00 0.00 C ATOM 1335 CE LYS A 93 7.527 1.067 4.864 1.00 0.00 C ATOM 1336 NZ LYS A 93 8.087 0.624 3.567 1.00 0.00 N ATOM 0 H LYS A 93 3.464 0.337 8.189 1.00 0.00 H new ATOM 0 HA LYS A 93 5.585 2.152 9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.499 1.380 6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.872 2.437 6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.136 0.583 7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.753 -0.480 7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.409 -0.931 5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.905 -0.357 4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.856 1.909 4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.335 1.425 5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.126 0.620 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.748 -0.335 3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.781 1.276 2.816 1.00 0.00 H new ATOM 1350 N SER A 94 2.763 3.202 7.681 1.00 0.00 N ATOM 1351 CA SER A 94 1.972 4.356 7.232 1.00 0.00 C ATOM 1352 C SER A 94 0.805 4.657 8.192 1.00 0.00 C ATOM 1353 O SER A 94 0.122 5.679 8.045 1.00 0.00 O ATOM 1354 CB SER A 94 1.463 4.093 5.791 1.00 0.00 C ATOM 1355 OG SER A 94 0.811 5.227 5.241 1.00 0.00 O ATOM 0 H SER A 94 2.306 2.307 7.506 1.00 0.00 H new ATOM 0 HA SER A 94 2.609 5.240 7.233 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.303 3.814 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.775 3.248 5.798 1.00 0.00 H new ATOM 0 HG SER A 94 0.353 5.719 5.954 1.00 0.00 H new ATOM 1361 N HIS A 95 0.595 3.777 9.198 1.00 0.00 N ATOM 1362 CA HIS A 95 -0.448 3.973 10.238 1.00 0.00 C ATOM 1363 C HIS A 95 0.101 3.663 11.676 1.00 0.00 C ATOM 1364 O HIS A 95 -0.544 2.893 12.403 1.00 0.00 O ATOM 1365 CB HIS A 95 -1.701 3.082 9.940 1.00 0.00 C ATOM 1366 CG HIS A 95 -2.317 3.237 8.573 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -2.737 4.434 8.041 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -2.606 2.295 7.643 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -3.260 4.183 6.833 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -3.205 2.891 6.547 1.00 0.00 N ATOM 0 H HIS A 95 1.136 2.920 9.314 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.742 5.022 10.208 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.418 2.038 10.072 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.464 3.303 10.687 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.664 5.349 8.486 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.400 1.239 7.742 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.673 4.936 6.178 1.00 0.00 H new ATOM 1378 N PRO A 96 1.290 4.244 12.125 1.00 0.00 N ATOM 1379 CA PRO A 96 1.792 4.076 13.528 1.00 0.00 C ATOM 1380 C PRO A 96 0.715 4.421 14.585 1.00 0.00 C ATOM 1381 O PRO A 96 0.448 3.639 15.507 1.00 0.00 O ATOM 1382 CB PRO A 96 2.988 5.063 13.612 1.00 0.00 C ATOM 1383 CG PRO A 96 3.471 5.178 12.200 1.00 0.00 C ATOM 1384 CD PRO A 96 2.235 5.074 11.331 1.00 0.00 C ATOM 0 HA PRO A 96 2.069 3.043 13.739 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.678 6.031 14.007 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.770 4.685 14.271 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.984 6.126 12.038 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.182 4.386 11.964 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.816 6.057 11.117 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.462 4.609 10.372 1.00 0.00 H new ATOM 1392 N GLU A 97 0.121 5.611 14.434 1.00 0.00 N ATOM 1393 CA GLU A 97 -1.032 6.049 15.213 1.00 0.00 C ATOM 1394 C GLU A 97 -1.966 6.838 14.278 1.00 0.00 C ATOM 1395 O GLU A 97 -1.745 8.027 14.013 1.00 0.00 O ATOM 1396 CB GLU A 97 -0.572 6.900 16.427 1.00 0.00 C ATOM 1397 CG GLU A 97 -1.700 7.335 17.382 1.00 0.00 C ATOM 1398 CD GLU A 97 -1.185 8.196 18.551 1.00 0.00 C ATOM 1399 OE1 GLU A 97 -0.611 7.637 19.515 1.00 0.00 O ATOM 1400 OE2 GLU A 97 -1.327 9.436 18.493 1.00 0.00 O ATOM 0 H GLU A 97 0.437 6.304 13.755 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.572 5.193 15.617 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.164 6.329 16.994 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.067 7.792 16.056 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.448 7.897 16.823 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.197 6.450 17.779 1.00 0.00 H new ATOM 1407 N VAL A 98 -2.975 6.153 13.741 1.00 0.00 N ATOM 1408 CA VAL A 98 -4.004 6.763 12.877 1.00 0.00 C ATOM 1409 C VAL A 98 -5.219 7.215 13.734 1.00 0.00 C ATOM 1410 O VAL A 98 -5.736 6.402 14.532 1.00 0.00 O ATOM 1411 CB VAL A 98 -4.421 5.797 11.685 1.00 0.00 C ATOM 1412 CG1 VAL A 98 -4.753 4.360 12.171 1.00 0.00 C ATOM 1413 CG2 VAL A 98 -5.583 6.390 10.833 1.00 0.00 C ATOM 1414 OXT VAL A 98 -5.643 8.385 13.612 1.00 0.00 O ATOM 0 H VAL A 98 -3.109 5.153 13.890 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.582 7.651 12.406 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.547 5.718 11.038 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.031 3.742 11.317 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.879 3.930 12.660 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.582 4.397 12.877 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.836 5.697 10.030 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.456 6.545 11.467 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.271 7.343 10.405 1.00 0.00 H new TER 1424 VAL A 98 HETATM 1425 ZN ZN A 101 15.161 0.838 3.785 1.00 0.00 ZN HETATM 1426 ZN ZN A 102 0.800 -6.560 -8.821 1.00 0.00 ZN HETATM 1427 ZN ZN A 103 -3.438 2.010 4.686 1.00 0.00 ZN