USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=20 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 Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -162:sc= -0.0905 (180deg=-0.502) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0485) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 50:sc= -1.23! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.05 K(o=-1.1,f=-14!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 51 CYS SG : rot 102:sc= -3.7! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc=-0.00814 (180deg=-0.13) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc=-0.00579 X(o=-0.0058,f=0) USER MOD Single : A 61 MET CE :methyl 151:sc= -0.166 (180deg=-1.28) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -88:sc= 0.812 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 73 SER OG : rot -154:sc= 0.118 USER MOD Single : A 75 ASN : amide:sc=-0.00648 X(o=-0.0065,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 164:sc= 0.9 (180deg=0.613) USER MOD Single : A 80 LYS NZ :NH3+ -144:sc= 1.23 (180deg=-0.0641) USER MOD Single : A 83 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0341) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 14.208 -10.342 19.899 1.00 0.00 N ATOM 2 CA HIS A 10 13.349 -11.515 19.615 1.00 0.00 C ATOM 3 C HIS A 10 14.159 -12.648 18.965 1.00 0.00 C ATOM 4 O HIS A 10 13.601 -13.728 18.735 1.00 0.00 O ATOM 5 CB HIS A 10 12.169 -11.125 18.691 1.00 0.00 C ATOM 6 CG HIS A 10 11.239 -10.099 19.275 1.00 0.00 C ATOM 7 ND1 HIS A 10 10.231 -10.412 20.165 1.00 0.00 N ATOM 8 CD2 HIS A 10 11.185 -8.761 19.109 1.00 0.00 C ATOM 9 CE1 HIS A 10 9.602 -9.309 20.519 1.00 0.00 C ATOM 10 NE2 HIS A 10 10.162 -8.294 19.889 1.00 0.00 N ATOM 0 HA HIS A 10 12.952 -11.868 20.567 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.569 -10.743 17.752 1.00 0.00 H new ATOM 0 HB3 HIS A 10 11.598 -12.022 18.452 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.830 -8.168 18.477 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.771 -9.247 21.206 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.878 -7.318 19.970 1.00 0.00 H new ATOM 19 N MET A 11 15.464 -12.385 18.655 1.00 0.00 N ATOM 20 CA MET A 11 16.370 -13.337 17.942 1.00 0.00 C ATOM 21 C MET A 11 15.843 -13.639 16.514 1.00 0.00 C ATOM 22 O MET A 11 16.111 -14.698 15.934 1.00 0.00 O ATOM 23 CB MET A 11 16.578 -14.633 18.780 1.00 0.00 C ATOM 24 CG MET A 11 17.242 -14.405 20.153 1.00 0.00 C ATOM 25 SD MET A 11 17.262 -15.888 21.193 1.00 0.00 S ATOM 26 CE MET A 11 15.510 -16.153 21.499 1.00 0.00 C ATOM 0 H MET A 11 15.918 -11.503 18.894 1.00 0.00 H new ATOM 0 HA MET A 11 17.347 -12.868 17.828 1.00 0.00 H new ATOM 0 HB2 MET A 11 15.611 -15.111 18.933 1.00 0.00 H new ATOM 0 HB3 MET A 11 17.190 -15.328 18.205 1.00 0.00 H new ATOM 0 HG2 MET A 11 18.265 -14.062 20.002 1.00 0.00 H new ATOM 0 HG3 MET A 11 16.713 -13.609 20.677 1.00 0.00 H new ATOM 0 HE1 MET A 11 15.386 -16.812 22.359 1.00 0.00 H new ATOM 0 HE2 MET A 11 15.027 -15.197 21.702 1.00 0.00 H new ATOM 0 HE3 MET A 11 15.053 -16.611 20.622 1.00 0.00 H new ATOM 36 N ARG A 12 15.145 -12.633 15.960 1.00 0.00 N ATOM 37 CA ARG A 12 14.431 -12.692 14.673 1.00 0.00 C ATOM 38 C ARG A 12 14.017 -11.251 14.327 1.00 0.00 C ATOM 39 O ARG A 12 12.856 -10.851 14.455 1.00 0.00 O ATOM 40 CB ARG A 12 13.201 -13.647 14.762 1.00 0.00 C ATOM 41 CG ARG A 12 12.319 -13.714 13.492 1.00 0.00 C ATOM 42 CD ARG A 12 10.924 -14.298 13.778 1.00 0.00 C ATOM 43 NE ARG A 12 10.240 -13.636 14.924 1.00 0.00 N ATOM 44 CZ ARG A 12 9.828 -12.343 14.976 1.00 0.00 C ATOM 45 NH1 ARG A 12 10.026 -11.515 13.961 1.00 0.00 N ATOM 46 NH2 ARG A 12 9.243 -11.880 16.073 1.00 0.00 N ATOM 0 H ARG A 12 15.059 -11.723 16.413 1.00 0.00 H new ATOM 0 HA ARG A 12 15.069 -13.097 13.887 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.558 -14.651 14.989 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.579 -13.333 15.600 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.212 -12.713 13.074 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.818 -14.323 12.738 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.305 -14.199 12.886 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.018 -15.364 13.985 1.00 0.00 H new ATOM 0 HE ARG A 12 10.064 -14.209 15.749 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.496 -11.845 13.118 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.708 -10.548 14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.104 -12.495 16.875 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.933 -10.909 16.115 1.00 0.00 H new ATOM 60 N ASP A 13 15.020 -10.441 13.972 1.00 0.00 N ATOM 61 CA ASP A 13 14.877 -8.994 13.813 1.00 0.00 C ATOM 62 C ASP A 13 15.707 -8.560 12.605 1.00 0.00 C ATOM 63 O ASP A 13 16.935 -8.419 12.690 1.00 0.00 O ATOM 64 CB ASP A 13 15.354 -8.241 15.086 1.00 0.00 C ATOM 65 CG ASP A 13 14.557 -8.578 16.370 1.00 0.00 C ATOM 66 OD1 ASP A 13 14.900 -9.566 17.070 1.00 0.00 O ATOM 67 OD2 ASP A 13 13.597 -7.848 16.696 1.00 0.00 O ATOM 0 H ASP A 13 15.964 -10.778 13.785 1.00 0.00 H new ATOM 0 HA ASP A 13 13.826 -8.749 13.660 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.406 -8.471 15.256 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.288 -7.168 14.904 1.00 0.00 H new ATOM 72 N TYR A 14 15.034 -8.423 11.472 1.00 0.00 N ATOM 73 CA TYR A 14 15.653 -8.006 10.203 1.00 0.00 C ATOM 74 C TYR A 14 15.564 -6.482 10.077 1.00 0.00 C ATOM 75 O TYR A 14 14.479 -5.929 9.890 1.00 0.00 O ATOM 76 CB TYR A 14 14.970 -8.724 9.006 1.00 0.00 C ATOM 77 CG TYR A 14 15.184 -10.247 9.010 1.00 0.00 C ATOM 78 CD1 TYR A 14 14.397 -11.090 9.802 1.00 0.00 C ATOM 79 CD2 TYR A 14 16.199 -10.838 8.247 1.00 0.00 C ATOM 80 CE1 TYR A 14 14.608 -12.452 9.828 1.00 0.00 C ATOM 81 CE2 TYR A 14 16.412 -12.204 8.275 1.00 0.00 C ATOM 82 CZ TYR A 14 15.614 -13.003 9.067 1.00 0.00 C ATOM 83 OH TYR A 14 15.823 -14.362 9.097 1.00 0.00 O ATOM 0 H TYR A 14 14.032 -8.598 11.397 1.00 0.00 H new ATOM 0 HA TYR A 14 16.705 -8.292 10.192 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.901 -8.514 9.027 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.358 -8.312 8.074 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.608 -10.665 10.405 1.00 0.00 H new ATOM 0 HD2 TYR A 14 16.826 -10.216 7.626 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.986 -13.085 10.444 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.199 -12.643 7.680 1.00 0.00 H new ATOM 0 HH TYR A 14 16.569 -14.591 8.504 1.00 0.00 H new ATOM 93 N ILE A 15 16.711 -5.802 10.225 1.00 0.00 N ATOM 94 CA ILE A 15 16.794 -4.337 10.237 1.00 0.00 C ATOM 95 C ILE A 15 17.474 -3.886 8.928 1.00 0.00 C ATOM 96 O ILE A 15 18.295 -4.622 8.370 1.00 0.00 O ATOM 97 CB ILE A 15 17.596 -3.812 11.499 1.00 0.00 C ATOM 98 CG1 ILE A 15 17.200 -4.580 12.803 1.00 0.00 C ATOM 99 CG2 ILE A 15 17.416 -2.287 11.683 1.00 0.00 C ATOM 100 CD1 ILE A 15 15.749 -4.457 13.192 1.00 0.00 C ATOM 0 H ILE A 15 17.615 -6.260 10.341 1.00 0.00 H new ATOM 0 HA ILE A 15 15.791 -3.915 10.305 1.00 0.00 H new ATOM 0 HB ILE A 15 18.651 -4.009 11.311 1.00 0.00 H new ATOM 0 HG12 ILE A 15 17.439 -5.636 12.673 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.815 -4.213 13.625 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.978 -1.957 12.557 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.783 -1.768 10.798 1.00 0.00 H new ATOM 0 HG23 ILE A 15 16.359 -2.060 11.824 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.568 -5.021 14.107 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.505 -3.408 13.359 1.00 0.00 H new ATOM 0 HD13 ILE A 15 15.123 -4.853 12.392 1.00 0.00 H new ATOM 112 N CYS A 16 17.119 -2.691 8.436 1.00 0.00 N ATOM 113 CA CYS A 16 17.625 -2.157 7.149 1.00 0.00 C ATOM 114 C CYS A 16 18.863 -1.265 7.383 1.00 0.00 C ATOM 115 O CYS A 16 19.637 -1.039 6.448 1.00 0.00 O ATOM 116 CB CYS A 16 16.499 -1.363 6.440 1.00 0.00 C ATOM 117 SG CYS A 16 16.858 -0.899 4.728 1.00 0.00 S ATOM 0 H CYS A 16 16.473 -2.062 8.914 1.00 0.00 H new ATOM 0 HA CYS A 16 17.927 -2.987 6.510 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.587 -1.960 6.456 1.00 0.00 H new ATOM 0 HB3 CYS A 16 16.297 -0.457 7.012 1.00 0.00 H new ATOM 122 N GLU A 17 18.951 -0.724 8.636 1.00 0.00 N ATOM 123 CA GLU A 17 20.063 0.098 9.225 1.00 0.00 C ATOM 124 C GLU A 17 19.593 1.542 9.512 1.00 0.00 C ATOM 125 O GLU A 17 20.131 2.202 10.410 1.00 0.00 O ATOM 126 CB GLU A 17 21.416 0.118 8.429 1.00 0.00 C ATOM 127 CG GLU A 17 22.282 -1.155 8.573 1.00 0.00 C ATOM 128 CD GLU A 17 22.830 -1.356 9.999 1.00 0.00 C ATOM 129 OE1 GLU A 17 23.918 -0.817 10.318 1.00 0.00 O ATOM 130 OE2 GLU A 17 22.170 -2.040 10.815 1.00 0.00 O ATOM 0 H GLU A 17 18.197 -0.858 9.310 1.00 0.00 H new ATOM 0 HA GLU A 17 20.300 -0.423 10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.196 0.271 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 17 22.001 0.976 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 17 21.688 -2.025 8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 17 23.117 -1.100 7.874 1.00 0.00 H new ATOM 137 N TYR A 18 18.591 2.023 8.750 1.00 0.00 N ATOM 138 CA TYR A 18 18.034 3.384 8.913 1.00 0.00 C ATOM 139 C TYR A 18 16.497 3.332 8.856 1.00 0.00 C ATOM 140 O TYR A 18 15.799 3.820 9.749 1.00 0.00 O ATOM 141 CB TYR A 18 18.593 4.333 7.817 1.00 0.00 C ATOM 142 CG TYR A 18 18.389 5.810 8.160 1.00 0.00 C ATOM 143 CD1 TYR A 18 18.734 6.274 9.427 1.00 0.00 C ATOM 144 CD2 TYR A 18 17.841 6.725 7.260 1.00 0.00 C ATOM 145 CE1 TYR A 18 18.548 7.576 9.788 1.00 0.00 C ATOM 146 CE2 TYR A 18 17.646 8.049 7.623 1.00 0.00 C ATOM 147 CZ TYR A 18 17.997 8.469 8.890 1.00 0.00 C ATOM 148 OH TYR A 18 17.800 9.786 9.264 1.00 0.00 O ATOM 0 H TYR A 18 18.146 1.484 8.007 1.00 0.00 H new ATOM 0 HA TYR A 18 18.333 3.775 9.885 1.00 0.00 H new ATOM 0 HB2 TYR A 18 19.657 4.139 7.681 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.105 4.113 6.867 1.00 0.00 H new ATOM 0 HD1 TYR A 18 19.160 5.585 10.142 1.00 0.00 H new ATOM 0 HD2 TYR A 18 17.565 6.398 6.268 1.00 0.00 H new ATOM 0 HE1 TYR A 18 18.831 7.909 10.776 1.00 0.00 H new ATOM 0 HE2 TYR A 18 17.222 8.748 6.918 1.00 0.00 H new ATOM 0 HH TYR A 18 17.405 10.283 8.517 1.00 0.00 H new ATOM 158 N CYS A 19 15.987 2.694 7.796 1.00 0.00 N ATOM 159 CA CYS A 19 14.542 2.668 7.466 1.00 0.00 C ATOM 160 C CYS A 19 13.946 1.250 7.607 1.00 0.00 C ATOM 161 O CYS A 19 13.427 0.675 6.647 1.00 0.00 O ATOM 162 CB CYS A 19 14.335 3.259 6.042 1.00 0.00 C ATOM 163 SG CYS A 19 15.628 2.788 4.849 1.00 0.00 S ATOM 0 H CYS A 19 16.563 2.175 7.133 1.00 0.00 H new ATOM 0 HA CYS A 19 14.000 3.287 8.181 1.00 0.00 H new ATOM 0 HB2 CYS A 19 13.367 2.932 5.661 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.299 4.346 6.113 1.00 0.00 H new ATOM 168 N ALA A 20 14.083 0.681 8.817 1.00 0.00 N ATOM 169 CA ALA A 20 13.335 -0.513 9.256 1.00 0.00 C ATOM 170 C ALA A 20 13.344 -0.590 10.773 1.00 0.00 C ATOM 171 O ALA A 20 14.418 -0.733 11.371 1.00 0.00 O ATOM 172 CB ALA A 20 13.912 -1.808 8.684 1.00 0.00 C ATOM 0 H ALA A 20 14.722 1.040 9.526 1.00 0.00 H new ATOM 0 HA ALA A 20 12.316 -0.411 8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.325 -2.655 9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.877 -1.772 7.595 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.946 -1.921 9.010 1.00 0.00 H new ATOM 178 N ARG A 21 12.163 -0.485 11.397 1.00 0.00 N ATOM 179 CA ARG A 21 12.070 -0.663 12.849 1.00 0.00 C ATOM 180 C ARG A 21 12.361 -2.150 13.182 1.00 0.00 C ATOM 181 O ARG A 21 13.189 -2.429 14.053 1.00 0.00 O ATOM 182 CB ARG A 21 10.724 -0.136 13.443 1.00 0.00 C ATOM 183 CG ARG A 21 9.440 -0.907 13.060 1.00 0.00 C ATOM 184 CD ARG A 21 8.211 -0.472 13.890 1.00 0.00 C ATOM 185 NE ARG A 21 8.474 -0.577 15.342 1.00 0.00 N ATOM 186 CZ ARG A 21 7.575 -0.859 16.292 1.00 0.00 C ATOM 187 NH1 ARG A 21 6.296 -1.088 16.002 1.00 0.00 N ATOM 188 NH2 ARG A 21 7.976 -0.916 17.560 1.00 0.00 N ATOM 0 H ARG A 21 11.279 -0.282 10.931 1.00 0.00 H new ATOM 0 HA ARG A 21 12.824 -0.046 13.338 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.809 -0.138 14.530 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.601 0.902 13.135 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.231 -0.753 12.001 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.608 -1.975 13.199 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.947 0.556 13.640 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.355 -1.094 13.628 1.00 0.00 H new ATOM 0 HE ARG A 21 9.434 -0.419 15.649 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.978 -1.051 15.034 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.634 -1.301 16.748 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.954 -0.746 17.794 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.305 -1.130 18.298 1.00 0.00 H new ATOM 202 N ALA A 22 11.693 -3.082 12.462 1.00 0.00 N ATOM 203 CA ALA A 22 12.111 -4.495 12.333 1.00 0.00 C ATOM 204 C ALA A 22 11.266 -5.186 11.255 1.00 0.00 C ATOM 205 O ALA A 22 10.243 -4.651 10.810 1.00 0.00 O ATOM 206 CB ALA A 22 11.977 -5.242 13.680 1.00 0.00 C ATOM 0 H ALA A 22 10.838 -2.869 11.948 1.00 0.00 H new ATOM 0 HA ALA A 22 13.161 -4.520 12.041 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.291 -6.278 13.554 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.607 -4.760 14.428 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.938 -5.215 14.009 1.00 0.00 H new ATOM 212 N PHE A 23 11.733 -6.355 10.796 1.00 0.00 N ATOM 213 CA PHE A 23 10.941 -7.277 9.966 1.00 0.00 C ATOM 214 C PHE A 23 11.037 -8.692 10.529 1.00 0.00 C ATOM 215 O PHE A 23 12.085 -9.104 11.041 1.00 0.00 O ATOM 216 CB PHE A 23 11.418 -7.271 8.489 1.00 0.00 C ATOM 217 CG PHE A 23 11.178 -5.953 7.756 1.00 0.00 C ATOM 218 CD1 PHE A 23 9.908 -5.613 7.295 1.00 0.00 C ATOM 219 CD2 PHE A 23 12.216 -5.058 7.521 1.00 0.00 C ATOM 220 CE1 PHE A 23 9.687 -4.420 6.635 1.00 0.00 C ATOM 221 CE2 PHE A 23 11.987 -3.869 6.856 1.00 0.00 C ATOM 222 CZ PHE A 23 10.728 -3.553 6.413 1.00 0.00 C ATOM 0 H PHE A 23 12.676 -6.691 10.990 1.00 0.00 H new ATOM 0 HA PHE A 23 9.905 -6.938 9.987 1.00 0.00 H new ATOM 0 HB2 PHE A 23 12.484 -7.499 8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.908 -8.070 7.951 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.084 -6.292 7.456 1.00 0.00 H new ATOM 0 HD2 PHE A 23 13.213 -5.295 7.862 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.694 -4.169 6.293 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.804 -3.184 6.684 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.556 -2.624 5.890 1.00 0.00 H new ATOM 232 N LYS A 24 9.921 -9.416 10.438 1.00 0.00 N ATOM 233 CA LYS A 24 9.835 -10.838 10.780 1.00 0.00 C ATOM 234 C LYS A 24 10.494 -11.705 9.687 1.00 0.00 C ATOM 235 O LYS A 24 10.981 -12.802 9.978 1.00 0.00 O ATOM 236 CB LYS A 24 8.339 -11.227 10.976 1.00 0.00 C ATOM 237 CG LYS A 24 8.083 -12.691 11.411 1.00 0.00 C ATOM 238 CD LYS A 24 6.578 -13.027 11.568 1.00 0.00 C ATOM 239 CE LYS A 24 5.783 -12.870 10.259 1.00 0.00 C ATOM 240 NZ LYS A 24 6.293 -13.770 9.186 1.00 0.00 N ATOM 0 H LYS A 24 9.035 -9.024 10.119 1.00 0.00 H new ATOM 0 HA LYS A 24 10.375 -11.019 11.709 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.904 -10.563 11.723 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.809 -11.046 10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.524 -13.364 10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.591 -12.876 12.358 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.476 -14.051 11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.145 -12.378 12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.731 -13.087 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.840 -11.835 9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.679 -13.696 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.262 -13.491 8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.294 -14.752 9.528 1.00 0.00 H new ATOM 254 N SER A 25 10.556 -11.174 8.445 1.00 0.00 N ATOM 255 CA SER A 25 10.983 -11.930 7.252 1.00 0.00 C ATOM 256 C SER A 25 11.868 -11.050 6.349 1.00 0.00 C ATOM 257 O SER A 25 11.604 -9.852 6.174 1.00 0.00 O ATOM 258 CB SER A 25 9.734 -12.413 6.467 1.00 0.00 C ATOM 259 OG SER A 25 10.083 -13.076 5.259 1.00 0.00 O ATOM 0 H SER A 25 10.310 -10.205 8.244 1.00 0.00 H new ATOM 0 HA SER A 25 11.565 -12.795 7.569 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.151 -13.087 7.094 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.097 -11.558 6.240 1.00 0.00 H new ATOM 0 HG SER A 25 9.268 -13.365 4.797 1.00 0.00 H new ATOM 265 N SER A 26 12.921 -11.673 5.790 1.00 0.00 N ATOM 266 CA SER A 26 13.793 -11.049 4.777 1.00 0.00 C ATOM 267 C SER A 26 13.033 -10.823 3.444 1.00 0.00 C ATOM 268 O SER A 26 13.395 -9.940 2.665 1.00 0.00 O ATOM 269 CB SER A 26 15.048 -11.918 4.543 1.00 0.00 C ATOM 270 OG SER A 26 15.934 -11.314 3.616 1.00 0.00 O ATOM 0 H SER A 26 13.192 -12.627 6.029 1.00 0.00 H new ATOM 0 HA SER A 26 14.104 -10.075 5.153 1.00 0.00 H new ATOM 0 HB2 SER A 26 15.564 -12.076 5.490 1.00 0.00 H new ATOM 0 HB3 SER A 26 14.749 -12.899 4.175 1.00 0.00 H new ATOM 0 HG SER A 26 16.718 -11.888 3.491 1.00 0.00 H new ATOM 276 N HIS A 27 11.986 -11.637 3.181 1.00 0.00 N ATOM 277 CA HIS A 27 11.104 -11.459 1.996 1.00 0.00 C ATOM 278 C HIS A 27 10.229 -10.203 2.150 1.00 0.00 C ATOM 279 O HIS A 27 9.984 -9.488 1.173 1.00 0.00 O ATOM 280 CB HIS A 27 10.219 -12.712 1.749 1.00 0.00 C ATOM 281 CG HIS A 27 10.954 -13.870 1.129 1.00 0.00 C ATOM 282 ND1 HIS A 27 11.121 -15.093 1.741 1.00 0.00 N ATOM 283 CD2 HIS A 27 11.556 -13.974 -0.074 1.00 0.00 C ATOM 284 CE1 HIS A 27 11.794 -15.896 0.939 1.00 0.00 C ATOM 285 NE2 HIS A 27 12.068 -15.240 -0.170 1.00 0.00 N ATOM 0 H HIS A 27 11.727 -12.427 3.773 1.00 0.00 H new ATOM 0 HA HIS A 27 11.748 -11.330 1.126 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.790 -13.034 2.698 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.387 -12.434 1.101 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.622 -13.200 -0.824 1.00 0.00 H new ATOM 0 HE1 HIS A 27 12.073 -16.917 1.155 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.578 -15.614 -0.970 1.00 0.00 H new ATOM 294 N ASN A 28 9.765 -9.962 3.383 1.00 0.00 N ATOM 295 CA ASN A 28 8.970 -8.765 3.740 1.00 0.00 C ATOM 296 C ASN A 28 9.838 -7.506 3.591 1.00 0.00 C ATOM 297 O ASN A 28 9.408 -6.471 3.084 1.00 0.00 O ATOM 298 CB ASN A 28 8.491 -8.861 5.206 1.00 0.00 C ATOM 299 CG ASN A 28 7.239 -8.014 5.476 1.00 0.00 C ATOM 300 OD1 ASN A 28 6.123 -8.535 5.522 1.00 0.00 O ATOM 301 ND2 ASN A 28 7.401 -6.703 5.595 1.00 0.00 N ATOM 0 H ASN A 28 9.928 -10.591 4.169 1.00 0.00 H new ATOM 0 HA ASN A 28 8.108 -8.709 3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.279 -9.903 5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.294 -8.537 5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.590 -6.099 5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.337 -6.299 5.553 1.00 0.00 H new ATOM 308 N LEU A 29 11.060 -7.635 4.106 1.00 0.00 N ATOM 309 CA LEU A 29 12.123 -6.634 4.004 1.00 0.00 C ATOM 310 C LEU A 29 12.487 -6.363 2.531 1.00 0.00 C ATOM 311 O LEU A 29 12.745 -5.224 2.183 1.00 0.00 O ATOM 312 CB LEU A 29 13.330 -7.132 4.864 1.00 0.00 C ATOM 313 CG LEU A 29 14.785 -6.753 4.422 1.00 0.00 C ATOM 314 CD1 LEU A 29 15.064 -5.235 4.558 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.825 -7.616 5.178 1.00 0.00 C ATOM 0 H LEU A 29 11.348 -8.466 4.623 1.00 0.00 H new ATOM 0 HA LEU A 29 11.795 -5.671 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.187 -6.760 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.273 -8.219 4.912 1.00 0.00 H new ATOM 0 HG LEU A 29 14.880 -6.977 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.085 -5.023 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.366 -4.679 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.938 -4.934 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.829 -7.339 4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.726 -7.448 6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.652 -8.670 4.958 1.00 0.00 H new ATOM 327 N ALA A 30 12.478 -7.414 1.688 1.00 0.00 N ATOM 328 CA ALA A 30 12.707 -7.297 0.220 1.00 0.00 C ATOM 329 C ALA A 30 11.636 -6.417 -0.472 1.00 0.00 C ATOM 330 O ALA A 30 11.939 -5.710 -1.441 1.00 0.00 O ATOM 331 CB ALA A 30 12.759 -8.692 -0.431 1.00 0.00 C ATOM 0 H ALA A 30 12.312 -8.372 1.998 1.00 0.00 H new ATOM 0 HA ALA A 30 13.669 -6.803 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.927 -8.587 -1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.573 -9.269 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.814 -9.209 -0.260 1.00 0.00 H new ATOM 337 N VAL A 31 10.394 -6.479 0.053 1.00 0.00 N ATOM 338 CA VAL A 31 9.258 -5.655 -0.425 1.00 0.00 C ATOM 339 C VAL A 31 9.549 -4.148 -0.201 1.00 0.00 C ATOM 340 O VAL A 31 9.326 -3.322 -1.088 1.00 0.00 O ATOM 341 CB VAL A 31 7.915 -6.077 0.288 1.00 0.00 C ATOM 342 CG1 VAL A 31 6.721 -5.190 -0.140 1.00 0.00 C ATOM 343 CG2 VAL A 31 7.612 -7.582 0.046 1.00 0.00 C ATOM 0 H VAL A 31 10.148 -7.102 0.822 1.00 0.00 H new ATOM 0 HA VAL A 31 9.138 -5.828 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 31 8.055 -5.922 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.820 -5.519 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.929 -4.151 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.573 -5.274 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.682 -7.851 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.515 -7.766 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.427 -8.186 0.445 1.00 0.00 H new ATOM 353 N HIS A 32 10.065 -3.822 0.999 1.00 0.00 N ATOM 354 CA HIS A 32 10.530 -2.461 1.355 1.00 0.00 C ATOM 355 C HIS A 32 11.804 -2.100 0.575 1.00 0.00 C ATOM 356 O HIS A 32 11.993 -0.952 0.152 1.00 0.00 O ATOM 357 CB HIS A 32 10.785 -2.367 2.896 1.00 0.00 C ATOM 358 CG HIS A 32 11.708 -1.239 3.308 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.335 0.079 3.343 1.00 0.00 N ATOM 360 CD2 HIS A 32 13.035 -1.263 3.618 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.410 0.803 3.659 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.476 0.045 3.830 1.00 0.00 N ATOM 0 H HIS A 32 10.173 -4.497 1.756 1.00 0.00 H new ATOM 0 HA HIS A 32 9.753 -1.746 1.083 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.829 -2.242 3.404 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.208 -3.311 3.241 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.400 0.443 3.160 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.647 -2.150 3.688 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.408 1.878 3.762 1.00 0.00 H new ATOM 370 N ARG A 33 12.669 -3.102 0.407 1.00 0.00 N ATOM 371 CA ARG A 33 14.017 -2.948 -0.166 1.00 0.00 C ATOM 372 C ARG A 33 13.964 -2.633 -1.670 1.00 0.00 C ATOM 373 O ARG A 33 14.992 -2.406 -2.267 1.00 0.00 O ATOM 374 CB ARG A 33 14.853 -4.225 0.140 1.00 0.00 C ATOM 375 CG ARG A 33 16.380 -4.117 -0.079 1.00 0.00 C ATOM 376 CD ARG A 33 17.142 -5.358 0.426 1.00 0.00 C ATOM 377 NE ARG A 33 16.673 -6.615 -0.195 1.00 0.00 N ATOM 378 CZ ARG A 33 16.476 -7.773 0.460 1.00 0.00 C ATOM 379 NH1 ARG A 33 16.624 -7.852 1.778 1.00 0.00 N ATOM 380 NH2 ARG A 33 16.092 -8.842 -0.218 1.00 0.00 N ATOM 0 H ARG A 33 12.453 -4.064 0.669 1.00 0.00 H new ATOM 0 HA ARG A 33 14.507 -2.093 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.676 -4.508 1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.476 -5.037 -0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.582 -3.979 -1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.755 -3.232 0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 33 18.205 -5.233 0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.032 -5.430 1.508 1.00 0.00 H new ATOM 0 HE ARG A 33 16.484 -6.603 -1.197 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.892 -7.025 2.312 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.470 -8.740 2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.949 -8.782 -1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.939 -9.726 0.267 1.00 0.00 H new ATOM 394 N MET A 34 12.736 -2.528 -2.238 1.00 0.00 N ATOM 395 CA MET A 34 12.477 -2.073 -3.642 1.00 0.00 C ATOM 396 C MET A 34 13.264 -0.783 -4.058 1.00 0.00 C ATOM 397 O MET A 34 13.418 -0.497 -5.250 1.00 0.00 O ATOM 398 CB MET A 34 10.955 -1.827 -3.810 1.00 0.00 C ATOM 399 CG MET A 34 10.385 -0.730 -2.898 1.00 0.00 C ATOM 400 SD MET A 34 8.619 -0.433 -3.153 1.00 0.00 S ATOM 401 CE MET A 34 8.288 0.799 -1.890 1.00 0.00 C ATOM 0 H MET A 34 11.881 -2.759 -1.732 1.00 0.00 H new ATOM 0 HA MET A 34 12.835 -2.865 -4.300 1.00 0.00 H new ATOM 0 HB2 MET A 34 10.755 -1.560 -4.848 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.425 -2.759 -3.612 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.553 -1.009 -1.858 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.931 0.197 -3.072 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.236 1.082 -1.924 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.521 0.386 -0.909 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.906 1.679 -2.069 1.00 0.00 H new ATOM 411 N ILE A 35 13.765 -0.044 -3.055 1.00 0.00 N ATOM 412 CA ILE A 35 14.629 1.118 -3.238 1.00 0.00 C ATOM 413 C ILE A 35 16.121 0.647 -3.350 1.00 0.00 C ATOM 414 O ILE A 35 16.784 0.929 -4.350 1.00 0.00 O ATOM 415 CB ILE A 35 14.392 2.189 -2.083 1.00 0.00 C ATOM 416 CG1 ILE A 35 15.595 3.165 -1.930 1.00 0.00 C ATOM 417 CG2 ILE A 35 14.017 1.532 -0.728 1.00 0.00 C ATOM 418 CD1 ILE A 35 15.862 4.086 -3.114 1.00 0.00 C ATOM 0 H ILE A 35 13.572 -0.248 -2.074 1.00 0.00 H new ATOM 0 HA ILE A 35 14.377 1.625 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 35 13.532 2.782 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 35 15.428 3.781 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 35 16.493 2.577 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.867 2.307 0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.098 0.957 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.822 0.870 -0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 35 16.721 4.720 -2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 35 16.069 3.487 -4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 35 14.987 4.710 -3.294 1.00 0.00 H new ATOM 430 N HIS A 36 16.613 -0.129 -2.357 1.00 0.00 N ATOM 431 CA HIS A 36 18.068 -0.485 -2.213 1.00 0.00 C ATOM 432 C HIS A 36 18.383 -1.872 -2.836 1.00 0.00 C ATOM 433 O HIS A 36 19.499 -2.381 -2.681 1.00 0.00 O ATOM 434 CB HIS A 36 18.511 -0.506 -0.700 1.00 0.00 C ATOM 435 CG HIS A 36 17.667 0.301 0.254 1.00 0.00 C ATOM 436 ND1 HIS A 36 17.836 1.640 0.507 1.00 0.00 N ATOM 437 CD2 HIS A 36 16.659 -0.104 1.065 1.00 0.00 C ATOM 438 CE1 HIS A 36 16.951 1.993 1.452 1.00 0.00 C ATOM 439 NE2 HIS A 36 16.204 0.967 1.832 1.00 0.00 N ATOM 0 H HIS A 36 16.024 -0.532 -1.628 1.00 0.00 H new ATOM 0 HA HIS A 36 18.624 0.286 -2.746 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.517 -1.541 -0.360 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.537 -0.144 -0.639 1.00 0.00 H new ATOM 0 HD1 HIS A 36 18.513 2.256 0.057 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.266 -1.109 1.110 1.00 0.00 H new ATOM 0 HE1 HIS A 36 16.859 2.991 1.854 1.00 0.00 H new ATOM 447 N THR A 37 17.401 -2.447 -3.529 1.00 0.00 N ATOM 448 CA THR A 37 17.283 -3.907 -3.773 1.00 0.00 C ATOM 449 C THR A 37 18.515 -4.562 -4.459 1.00 0.00 C ATOM 450 O THR A 37 19.191 -5.390 -3.826 1.00 0.00 O ATOM 451 CB THR A 37 15.931 -4.196 -4.541 1.00 0.00 C ATOM 452 OG1 THR A 37 15.816 -5.550 -4.941 1.00 0.00 O ATOM 453 CG2 THR A 37 15.712 -3.282 -5.751 1.00 0.00 C ATOM 0 H THR A 37 16.643 -1.910 -3.951 1.00 0.00 H new ATOM 0 HA THR A 37 17.261 -4.392 -2.797 1.00 0.00 H new ATOM 0 HB THR A 37 15.149 -3.977 -3.814 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.005 -6.134 -4.177 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.767 -3.534 -6.231 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.686 -2.243 -5.422 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.527 -3.417 -6.462 1.00 0.00 H new ATOM 461 N GLY A 38 18.813 -4.187 -5.710 1.00 0.00 N ATOM 462 CA GLY A 38 19.866 -4.858 -6.493 1.00 0.00 C ATOM 463 C GLY A 38 19.445 -6.279 -6.877 1.00 0.00 C ATOM 464 O GLY A 38 20.265 -7.196 -6.943 1.00 0.00 O ATOM 0 H GLY A 38 18.344 -3.427 -6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.077 -4.282 -7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.789 -4.893 -5.913 1.00 0.00 H new ATOM 468 N GLU A 39 18.133 -6.420 -7.151 1.00 0.00 N ATOM 469 CA GLU A 39 17.419 -7.717 -7.332 1.00 0.00 C ATOM 470 C GLU A 39 16.319 -7.514 -8.385 1.00 0.00 C ATOM 471 O GLU A 39 16.046 -8.405 -9.193 1.00 0.00 O ATOM 472 CB GLU A 39 16.750 -8.235 -6.015 1.00 0.00 C ATOM 473 CG GLU A 39 17.676 -8.405 -4.802 1.00 0.00 C ATOM 474 CD GLU A 39 16.901 -8.720 -3.507 1.00 0.00 C ATOM 475 OE1 GLU A 39 16.247 -7.797 -2.962 1.00 0.00 O ATOM 476 OE2 GLU A 39 16.933 -9.879 -3.034 1.00 0.00 O ATOM 0 H GLU A 39 17.515 -5.616 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 39 18.155 -8.460 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.952 -7.544 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.281 -9.196 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 39 18.386 -9.208 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 39 18.256 -7.493 -4.662 1.00 0.00 H new ATOM 483 N LYS A 40 15.685 -6.315 -8.320 1.00 0.00 N ATOM 484 CA LYS A 40 14.631 -5.853 -9.242 1.00 0.00 C ATOM 485 C LYS A 40 13.321 -6.625 -8.972 1.00 0.00 C ATOM 486 O LYS A 40 13.012 -7.588 -9.677 1.00 0.00 O ATOM 487 CB LYS A 40 15.079 -5.908 -10.751 1.00 0.00 C ATOM 488 CG LYS A 40 16.358 -5.093 -11.045 1.00 0.00 C ATOM 489 CD LYS A 40 16.856 -5.204 -12.499 1.00 0.00 C ATOM 490 CE LYS A 40 15.888 -4.579 -13.515 1.00 0.00 C ATOM 491 NZ LYS A 40 16.427 -4.639 -14.895 1.00 0.00 N ATOM 0 H LYS A 40 15.905 -5.627 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 40 14.443 -4.797 -9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.247 -6.947 -11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.268 -5.534 -11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.168 -4.044 -10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.150 -5.427 -10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 40 17.827 -4.716 -12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.005 -6.255 -12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.932 -5.101 -13.475 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.696 -3.541 -13.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.746 -4.208 -15.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.327 -4.120 -14.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.586 -5.631 -15.163 1.00 0.00 H new ATOM 505 N PRO A 41 12.557 -6.243 -7.884 1.00 0.00 N ATOM 506 CA PRO A 41 11.259 -6.867 -7.559 1.00 0.00 C ATOM 507 C PRO A 41 10.135 -6.325 -8.459 1.00 0.00 C ATOM 508 O PRO A 41 10.324 -5.343 -9.186 1.00 0.00 O ATOM 509 CB PRO A 41 11.048 -6.488 -6.074 1.00 0.00 C ATOM 510 CG PRO A 41 11.708 -5.147 -5.938 1.00 0.00 C ATOM 511 CD PRO A 41 12.885 -5.163 -6.906 1.00 0.00 C ATOM 0 HA PRO A 41 11.246 -7.945 -7.723 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.989 -6.438 -5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.499 -7.223 -5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.013 -4.343 -6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.045 -4.979 -4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.002 -4.200 -7.404 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.821 -5.369 -6.388 1.00 0.00 H new ATOM 519 N LEU A 42 8.977 -6.964 -8.390 1.00 0.00 N ATOM 520 CA LEU A 42 7.836 -6.676 -9.265 1.00 0.00 C ATOM 521 C LEU A 42 6.710 -6.046 -8.453 1.00 0.00 C ATOM 522 O LEU A 42 6.438 -6.482 -7.334 1.00 0.00 O ATOM 523 CB LEU A 42 7.389 -7.998 -9.910 1.00 0.00 C ATOM 524 CG LEU A 42 8.468 -8.680 -10.804 1.00 0.00 C ATOM 525 CD1 LEU A 42 8.068 -10.103 -11.182 1.00 0.00 C ATOM 526 CD2 LEU A 42 8.755 -7.838 -12.062 1.00 0.00 C ATOM 0 H LEU A 42 8.795 -7.709 -7.717 1.00 0.00 H new ATOM 0 HA LEU A 42 8.113 -5.968 -10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.098 -8.692 -9.121 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.501 -7.811 -10.514 1.00 0.00 H new ATOM 0 HG LEU A 42 9.385 -8.741 -10.218 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.845 -10.546 -11.805 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.945 -10.699 -10.278 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.128 -10.082 -11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.511 -8.336 -12.669 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.839 -7.728 -12.643 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.118 -6.854 -11.766 1.00 0.00 H new ATOM 538 N GLN A 43 6.035 -5.055 -9.042 1.00 0.00 N ATOM 539 CA GLN A 43 5.013 -4.242 -8.359 1.00 0.00 C ATOM 540 C GLN A 43 3.728 -4.302 -9.196 1.00 0.00 C ATOM 541 O GLN A 43 3.799 -4.342 -10.433 1.00 0.00 O ATOM 542 CB GLN A 43 5.527 -2.761 -8.178 1.00 0.00 C ATOM 543 CG GLN A 43 5.423 -2.194 -6.745 1.00 0.00 C ATOM 544 CD GLN A 43 4.026 -1.746 -6.314 1.00 0.00 C ATOM 545 OE1 GLN A 43 3.008 -2.236 -6.795 1.00 0.00 O ATOM 546 NE2 GLN A 43 3.975 -0.844 -5.355 1.00 0.00 N ATOM 0 H GLN A 43 6.181 -4.788 -10.016 1.00 0.00 H new ATOM 0 HA GLN A 43 4.810 -4.630 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.569 -2.715 -8.494 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.962 -2.114 -8.849 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.774 -2.953 -6.046 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.101 -1.345 -6.659 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.838 -0.455 -4.975 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.073 -0.535 -4.993 1.00 0.00 H new ATOM 555 N CYS A 44 2.563 -4.326 -8.525 1.00 0.00 N ATOM 556 CA CYS A 44 1.260 -4.338 -9.205 1.00 0.00 C ATOM 557 C CYS A 44 1.083 -3.038 -10.000 1.00 0.00 C ATOM 558 O CYS A 44 0.866 -1.973 -9.414 1.00 0.00 O ATOM 559 CB CYS A 44 0.105 -4.508 -8.192 1.00 0.00 C ATOM 560 SG CYS A 44 -1.562 -4.155 -8.868 1.00 0.00 S ATOM 0 H CYS A 44 2.500 -4.337 -7.507 1.00 0.00 H new ATOM 0 HA CYS A 44 1.233 -5.187 -9.888 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.120 -5.530 -7.812 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.285 -3.850 -7.342 1.00 0.00 H new ATOM 565 N GLU A 45 1.196 -3.159 -11.339 1.00 0.00 N ATOM 566 CA GLU A 45 1.019 -2.054 -12.307 1.00 0.00 C ATOM 567 C GLU A 45 -0.328 -1.328 -12.116 1.00 0.00 C ATOM 568 O GLU A 45 -0.442 -0.132 -12.387 1.00 0.00 O ATOM 569 CB GLU A 45 1.122 -2.619 -13.756 1.00 0.00 C ATOM 570 CG GLU A 45 2.461 -3.320 -14.089 1.00 0.00 C ATOM 571 CD GLU A 45 3.681 -2.395 -13.954 1.00 0.00 C ATOM 572 OE1 GLU A 45 3.861 -1.507 -14.822 1.00 0.00 O ATOM 573 OE2 GLU A 45 4.459 -2.537 -12.984 1.00 0.00 O ATOM 0 H GLU A 45 1.418 -4.047 -11.788 1.00 0.00 H new ATOM 0 HA GLU A 45 1.808 -1.322 -12.133 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.309 -3.328 -13.912 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.972 -1.801 -14.461 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.589 -4.177 -13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.418 -3.706 -15.107 1.00 0.00 H new ATOM 580 N ILE A 46 -1.337 -2.067 -11.625 1.00 0.00 N ATOM 581 CA ILE A 46 -2.697 -1.552 -11.452 1.00 0.00 C ATOM 582 C ILE A 46 -2.750 -0.603 -10.242 1.00 0.00 C ATOM 583 O ILE A 46 -3.280 0.514 -10.345 1.00 0.00 O ATOM 584 CB ILE A 46 -3.730 -2.731 -11.285 1.00 0.00 C ATOM 585 CG1 ILE A 46 -3.629 -3.751 -12.469 1.00 0.00 C ATOM 586 CG2 ILE A 46 -5.173 -2.197 -11.146 1.00 0.00 C ATOM 587 CD1 ILE A 46 -3.923 -3.180 -13.850 1.00 0.00 C ATOM 0 H ILE A 46 -1.228 -3.040 -11.338 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.973 -0.994 -12.347 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.475 -3.258 -10.365 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.625 -4.175 -12.476 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.321 -4.572 -12.279 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.861 -3.034 -11.032 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.239 -1.551 -10.270 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.438 -1.628 -12.037 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.826 -3.967 -14.598 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.938 -2.783 -13.871 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.216 -2.380 -14.071 1.00 0.00 H new ATOM 599 N CYS A 47 -2.175 -1.041 -9.098 1.00 0.00 N ATOM 600 CA CYS A 47 -2.143 -0.222 -7.877 1.00 0.00 C ATOM 601 C CYS A 47 -0.808 -0.411 -7.113 1.00 0.00 C ATOM 602 O CYS A 47 0.170 0.306 -7.366 1.00 0.00 O ATOM 603 CB CYS A 47 -3.394 -0.520 -6.978 1.00 0.00 C ATOM 604 SG CYS A 47 -3.418 -2.125 -6.074 1.00 0.00 S ATOM 0 H CYS A 47 -1.730 -1.954 -9.001 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.194 0.829 -8.162 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.482 0.282 -6.245 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.282 -0.474 -7.609 1.00 0.00 H new ATOM 609 N GLY A 48 -0.781 -1.400 -6.210 1.00 0.00 N ATOM 610 CA GLY A 48 0.308 -1.606 -5.265 1.00 0.00 C ATOM 611 C GLY A 48 0.333 -3.058 -4.821 1.00 0.00 C ATOM 612 O GLY A 48 -0.753 -3.562 -4.490 1.00 0.00 O ATOM 0 H GLY A 48 -1.530 -2.086 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.259 -1.341 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.181 -0.954 -4.401 1.00 0.00 H new ATOM 616 N PHE A 49 1.503 -3.738 -4.810 1.00 0.00 N ATOM 617 CA PHE A 49 1.713 -5.070 -4.229 1.00 0.00 C ATOM 618 C PHE A 49 3.082 -5.463 -4.757 1.00 0.00 C ATOM 619 O PHE A 49 3.220 -5.673 -5.968 1.00 0.00 O ATOM 620 CB PHE A 49 0.657 -6.138 -4.664 1.00 0.00 C ATOM 621 CG PHE A 49 0.825 -7.511 -4.008 1.00 0.00 C ATOM 622 CD1 PHE A 49 0.217 -7.805 -2.790 1.00 0.00 C ATOM 623 CD2 PHE A 49 1.583 -8.508 -4.612 1.00 0.00 C ATOM 624 CE1 PHE A 49 0.366 -9.045 -2.198 1.00 0.00 C ATOM 625 CE2 PHE A 49 1.735 -9.746 -4.022 1.00 0.00 C ATOM 626 CZ PHE A 49 1.122 -10.018 -2.818 1.00 0.00 C ATOM 0 H PHE A 49 2.353 -3.354 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 49 1.625 -5.033 -3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.339 -5.760 -4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.708 -6.259 -5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.381 -7.051 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.061 -8.310 -5.560 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.109 -9.252 -1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.335 -10.503 -4.504 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.233 -10.990 -2.361 1.00 0.00 H new ATOM 636 N THR A 50 4.094 -5.576 -3.893 1.00 0.00 N ATOM 637 CA THR A 50 5.459 -5.853 -4.347 1.00 0.00 C ATOM 638 C THR A 50 5.871 -7.235 -3.851 1.00 0.00 C ATOM 639 O THR A 50 5.631 -7.583 -2.689 1.00 0.00 O ATOM 640 CB THR A 50 6.509 -4.806 -3.846 1.00 0.00 C ATOM 641 OG1 THR A 50 5.953 -3.493 -3.897 1.00 0.00 O ATOM 642 CG2 THR A 50 7.819 -4.838 -4.671 1.00 0.00 C ATOM 0 H THR A 50 3.995 -5.481 -2.882 1.00 0.00 H new ATOM 0 HA THR A 50 5.448 -5.798 -5.436 1.00 0.00 H new ATOM 0 HB THR A 50 6.757 -5.073 -2.819 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.616 -2.844 -3.580 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.512 -4.093 -4.282 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.271 -5.827 -4.598 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.597 -4.617 -5.715 1.00 0.00 H new ATOM 650 N CYS A 51 6.470 -7.999 -4.742 1.00 0.00 N ATOM 651 CA CYS A 51 7.007 -9.331 -4.446 1.00 0.00 C ATOM 652 C CYS A 51 8.050 -9.743 -5.488 1.00 0.00 C ATOM 653 O CYS A 51 8.090 -9.209 -6.601 1.00 0.00 O ATOM 654 CB CYS A 51 5.851 -10.360 -4.391 1.00 0.00 C ATOM 655 SG CYS A 51 4.695 -10.226 -5.763 1.00 0.00 S ATOM 0 H CYS A 51 6.604 -7.715 -5.712 1.00 0.00 H new ATOM 0 HA CYS A 51 7.501 -9.302 -3.475 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.272 -11.365 -4.379 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.307 -10.232 -3.455 1.00 0.00 H new ATOM 0 HG CYS A 51 4.948 -11.155 -6.636 1.00 0.00 H new ATOM 661 N ARG A 52 8.898 -10.705 -5.092 1.00 0.00 N ATOM 662 CA ARG A 52 9.929 -11.313 -5.956 1.00 0.00 C ATOM 663 C ARG A 52 9.323 -12.416 -6.864 1.00 0.00 C ATOM 664 O ARG A 52 9.980 -12.901 -7.791 1.00 0.00 O ATOM 665 CB ARG A 52 11.056 -11.893 -5.051 1.00 0.00 C ATOM 666 CG ARG A 52 11.868 -10.815 -4.285 1.00 0.00 C ATOM 667 CD ARG A 52 12.736 -9.972 -5.237 1.00 0.00 C ATOM 668 NE ARG A 52 13.797 -10.794 -5.859 1.00 0.00 N ATOM 669 CZ ARG A 52 14.300 -10.636 -7.093 1.00 0.00 C ATOM 670 NH1 ARG A 52 13.817 -9.735 -7.934 1.00 0.00 N ATOM 671 NH2 ARG A 52 15.302 -11.409 -7.490 1.00 0.00 N ATOM 0 H ARG A 52 8.889 -11.090 -4.148 1.00 0.00 H new ATOM 0 HA ARG A 52 10.344 -10.551 -6.616 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.612 -12.579 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.739 -12.477 -5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.185 -10.162 -3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.505 -11.298 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.109 -9.534 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.187 -9.146 -4.687 1.00 0.00 H new ATOM 0 HE ARG A 52 14.183 -11.553 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.041 -9.137 -7.650 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.221 -9.639 -8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.682 -12.115 -6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.692 -11.298 -8.426 1.00 0.00 H new ATOM 685 N GLN A 53 8.062 -12.795 -6.578 1.00 0.00 N ATOM 686 CA GLN A 53 7.311 -13.820 -7.325 1.00 0.00 C ATOM 687 C GLN A 53 6.301 -13.124 -8.252 1.00 0.00 C ATOM 688 O GLN A 53 5.347 -12.517 -7.760 1.00 0.00 O ATOM 689 CB GLN A 53 6.563 -14.755 -6.329 1.00 0.00 C ATOM 690 CG GLN A 53 7.469 -15.459 -5.296 1.00 0.00 C ATOM 691 CD GLN A 53 6.677 -16.292 -4.290 1.00 0.00 C ATOM 692 OE1 GLN A 53 6.418 -17.475 -4.511 1.00 0.00 O ATOM 693 NE2 GLN A 53 6.262 -15.665 -3.200 1.00 0.00 N ATOM 0 H GLN A 53 7.529 -12.390 -5.808 1.00 0.00 H new ATOM 0 HA GLN A 53 7.999 -14.420 -7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.815 -14.169 -5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.027 -15.514 -6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.176 -16.103 -5.818 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.054 -14.710 -4.762 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.499 -14.683 -3.055 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.706 -16.164 -2.505 1.00 0.00 H new ATOM 702 N LYS A 54 6.551 -13.169 -9.577 1.00 0.00 N ATOM 703 CA LYS A 54 5.618 -12.633 -10.608 1.00 0.00 C ATOM 704 C LYS A 54 4.195 -13.188 -10.431 1.00 0.00 C ATOM 705 O LYS A 54 3.217 -12.451 -10.537 1.00 0.00 O ATOM 706 CB LYS A 54 6.133 -12.946 -12.035 1.00 0.00 C ATOM 707 CG LYS A 54 5.320 -12.284 -13.172 1.00 0.00 C ATOM 708 CD LYS A 54 5.945 -12.531 -14.560 1.00 0.00 C ATOM 709 CE LYS A 54 5.156 -11.859 -15.691 1.00 0.00 C ATOM 710 NZ LYS A 54 5.065 -10.386 -15.517 1.00 0.00 N ATOM 0 H LYS A 54 7.401 -13.575 -9.969 1.00 0.00 H new ATOM 0 HA LYS A 54 5.579 -11.552 -10.474 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.171 -12.622 -12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.125 -14.026 -12.181 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.301 -12.672 -13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.254 -11.211 -12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.969 -12.157 -14.565 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.996 -13.604 -14.746 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.633 -12.081 -16.646 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.152 -12.281 -15.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.659 -9.960 -16.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.457 -10.170 -14.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.015 -9.996 -15.353 1.00 0.00 H new ATOM 724 N ALA A 55 4.137 -14.493 -10.152 1.00 0.00 N ATOM 725 CA ALA A 55 2.884 -15.219 -9.882 1.00 0.00 C ATOM 726 C ALA A 55 2.043 -14.535 -8.766 1.00 0.00 C ATOM 727 O ALA A 55 0.831 -14.368 -8.913 1.00 0.00 O ATOM 728 CB ALA A 55 3.202 -16.675 -9.522 1.00 0.00 C ATOM 0 H ALA A 55 4.966 -15.086 -10.106 1.00 0.00 H new ATOM 0 HA ALA A 55 2.275 -15.199 -10.786 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.274 -17.211 -9.322 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.724 -17.150 -10.353 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.834 -16.701 -8.634 1.00 0.00 H new ATOM 734 N SER A 56 2.726 -14.076 -7.699 1.00 0.00 N ATOM 735 CA SER A 56 2.080 -13.526 -6.487 1.00 0.00 C ATOM 736 C SER A 56 1.228 -12.270 -6.812 1.00 0.00 C ATOM 737 O SER A 56 0.033 -12.223 -6.469 1.00 0.00 O ATOM 738 CB SER A 56 3.148 -13.223 -5.412 1.00 0.00 C ATOM 739 OG SER A 56 2.561 -12.881 -4.166 1.00 0.00 O ATOM 0 H SER A 56 3.745 -14.076 -7.652 1.00 0.00 H new ATOM 0 HA SER A 56 1.395 -14.276 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.791 -14.093 -5.284 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.783 -12.405 -5.751 1.00 0.00 H new ATOM 0 HG SER A 56 3.267 -12.697 -3.511 1.00 0.00 H new ATOM 745 N LEU A 57 1.832 -11.261 -7.496 1.00 0.00 N ATOM 746 CA LEU A 57 1.108 -10.031 -7.899 1.00 0.00 C ATOM 747 C LEU A 57 0.159 -10.302 -9.078 1.00 0.00 C ATOM 748 O LEU A 57 -0.869 -9.638 -9.190 1.00 0.00 O ATOM 749 CB LEU A 57 2.059 -8.847 -8.250 1.00 0.00 C ATOM 750 CG LEU A 57 3.076 -9.056 -9.434 1.00 0.00 C ATOM 751 CD1 LEU A 57 3.360 -7.734 -10.178 1.00 0.00 C ATOM 752 CD2 LEU A 57 4.397 -9.673 -8.947 1.00 0.00 C ATOM 0 H LEU A 57 2.812 -11.278 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 57 0.526 -9.733 -7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.443 -7.979 -8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.631 -8.599 -7.356 1.00 0.00 H new ATOM 0 HG LEU A 57 2.605 -9.752 -10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.066 -7.917 -10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.430 -7.341 -10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.785 -7.010 -9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.072 -9.802 -9.793 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.858 -9.013 -8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.199 -10.643 -8.490 1.00 0.00 H new ATOM 764 N ASN A 58 0.555 -11.227 -9.979 1.00 0.00 N ATOM 765 CA ASN A 58 -0.296 -11.709 -11.099 1.00 0.00 C ATOM 766 C ASN A 58 -1.677 -12.189 -10.628 1.00 0.00 C ATOM 767 O ASN A 58 -2.695 -11.863 -11.251 1.00 0.00 O ATOM 768 CB ASN A 58 0.425 -12.843 -11.890 1.00 0.00 C ATOM 769 CG ASN A 58 -0.446 -13.523 -12.961 1.00 0.00 C ATOM 770 OD1 ASN A 58 -0.526 -13.059 -14.098 1.00 0.00 O ATOM 771 ND2 ASN A 58 -1.087 -14.639 -12.611 1.00 0.00 N ATOM 0 H ASN A 58 1.476 -11.664 -9.954 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.458 -10.856 -11.758 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.311 -12.428 -12.370 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.769 -13.599 -11.185 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.663 -15.132 -13.294 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.001 -15.000 -11.661 1.00 0.00 H new ATOM 778 N TRP A 59 -1.720 -12.924 -9.514 1.00 0.00 N ATOM 779 CA TRP A 59 -2.979 -13.479 -8.988 1.00 0.00 C ATOM 780 C TRP A 59 -3.749 -12.394 -8.218 1.00 0.00 C ATOM 781 O TRP A 59 -4.976 -12.368 -8.255 1.00 0.00 O ATOM 782 CB TRP A 59 -2.717 -14.723 -8.115 1.00 0.00 C ATOM 783 CG TRP A 59 -2.167 -15.914 -8.884 1.00 0.00 C ATOM 784 CD1 TRP A 59 -1.044 -16.641 -8.587 1.00 0.00 C ATOM 785 CD2 TRP A 59 -2.723 -16.514 -10.074 1.00 0.00 C ATOM 786 NE1 TRP A 59 -0.861 -17.628 -9.513 1.00 0.00 N ATOM 787 CE2 TRP A 59 -1.877 -17.579 -10.425 1.00 0.00 C ATOM 788 CE3 TRP A 59 -3.856 -16.269 -10.871 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -2.116 -18.388 -11.533 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -4.086 -17.068 -11.975 1.00 0.00 C ATOM 791 CH2 TRP A 59 -3.221 -18.121 -12.294 1.00 0.00 C ATOM 0 H TRP A 59 -0.898 -13.151 -8.955 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.597 -13.804 -9.825 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.015 -14.458 -7.325 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.648 -15.016 -7.629 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.397 -16.459 -7.742 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -0.089 -18.295 -9.522 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.537 -15.468 -10.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.450 -19.200 -11.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.945 -16.877 -12.600 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -3.430 -18.735 -13.158 1.00 0.00 H new ATOM 802 N HIS A 60 -3.016 -11.546 -7.470 1.00 0.00 N ATOM 803 CA HIS A 60 -3.542 -10.245 -6.973 1.00 0.00 C ATOM 804 C HIS A 60 -4.252 -9.388 -8.080 1.00 0.00 C ATOM 805 O HIS A 60 -5.181 -8.629 -7.775 1.00 0.00 O ATOM 806 CB HIS A 60 -2.402 -9.439 -6.274 1.00 0.00 C ATOM 807 CG HIS A 60 -2.741 -8.000 -5.975 1.00 0.00 C ATOM 808 ND1 HIS A 60 -3.715 -7.586 -5.095 1.00 0.00 N ATOM 809 CD2 HIS A 60 -2.268 -6.883 -6.547 1.00 0.00 C ATOM 810 CE1 HIS A 60 -3.803 -6.253 -5.187 1.00 0.00 C ATOM 811 NE2 HIS A 60 -2.946 -5.766 -6.074 1.00 0.00 N ATOM 0 H HIS A 60 -2.053 -11.734 -7.192 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.319 -10.477 -6.245 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.142 -9.938 -5.341 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.515 -9.465 -6.908 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.269 -8.186 -4.484 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.470 -6.855 -7.275 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.488 -5.649 -4.610 1.00 0.00 H new ATOM 819 N MET A 61 -3.772 -9.453 -9.337 1.00 0.00 N ATOM 820 CA MET A 61 -4.455 -8.809 -10.495 1.00 0.00 C ATOM 821 C MET A 61 -5.769 -9.534 -10.895 1.00 0.00 C ATOM 822 O MET A 61 -6.723 -8.898 -11.347 1.00 0.00 O ATOM 823 CB MET A 61 -3.472 -8.695 -11.687 1.00 0.00 C ATOM 824 CG MET A 61 -2.245 -7.810 -11.419 1.00 0.00 C ATOM 825 SD MET A 61 -1.066 -7.834 -12.783 1.00 0.00 S ATOM 826 CE MET A 61 0.210 -6.737 -12.175 1.00 0.00 C ATOM 0 H MET A 61 -2.913 -9.944 -9.585 1.00 0.00 H new ATOM 0 HA MET A 61 -4.755 -7.806 -10.191 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.131 -9.694 -11.957 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.010 -8.298 -12.548 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.572 -6.785 -11.243 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.750 -8.147 -10.509 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.171 -7.027 -12.599 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.022 -5.713 -12.467 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.259 -6.803 -11.088 1.00 0.00 H new ATOM 836 N LYS A 62 -5.788 -10.868 -10.765 1.00 0.00 N ATOM 837 CA LYS A 62 -7.043 -11.665 -10.849 1.00 0.00 C ATOM 838 C LYS A 62 -8.052 -11.250 -9.729 1.00 0.00 C ATOM 839 O LYS A 62 -9.266 -11.394 -9.880 1.00 0.00 O ATOM 840 CB LYS A 62 -6.734 -13.183 -10.777 1.00 0.00 C ATOM 841 CG LYS A 62 -7.964 -14.089 -11.021 1.00 0.00 C ATOM 842 CD LYS A 62 -7.702 -15.583 -10.738 1.00 0.00 C ATOM 843 CE LYS A 62 -7.310 -15.844 -9.275 1.00 0.00 C ATOM 844 NZ LYS A 62 -7.155 -17.288 -8.986 1.00 0.00 N ATOM 0 H LYS A 62 -4.952 -11.429 -10.601 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.509 -11.456 -11.812 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.968 -13.422 -11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.316 -13.412 -9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.786 -13.748 -10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.287 -13.976 -12.056 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.596 -16.158 -10.979 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.907 -15.940 -11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.375 -15.329 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.070 -15.423 -8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.890 -17.416 -7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.054 -17.778 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.412 -17.686 -9.595 1.00 0.00 H new ATOM 858 N LYS A 63 -7.517 -10.749 -8.603 1.00 0.00 N ATOM 859 CA LYS A 63 -8.338 -10.185 -7.504 1.00 0.00 C ATOM 860 C LYS A 63 -9.002 -8.854 -7.957 1.00 0.00 C ATOM 861 O LYS A 63 -10.125 -8.537 -7.546 1.00 0.00 O ATOM 862 CB LYS A 63 -7.507 -10.027 -6.202 1.00 0.00 C ATOM 863 CG LYS A 63 -6.879 -11.354 -5.706 1.00 0.00 C ATOM 864 CD LYS A 63 -6.130 -11.222 -4.358 1.00 0.00 C ATOM 865 CE LYS A 63 -7.071 -10.952 -3.174 1.00 0.00 C ATOM 866 NZ LYS A 63 -6.344 -10.879 -1.880 1.00 0.00 N ATOM 0 H LYS A 63 -6.513 -10.721 -8.424 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.140 -10.885 -7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.713 -9.300 -6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.147 -9.622 -5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.665 -12.102 -5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.186 -11.723 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.570 -12.138 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.403 -10.413 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.603 -10.016 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.822 -11.741 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.020 -10.695 -1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.857 -11.781 -1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.645 -10.110 -1.917 1.00 0.00 H new ATOM 880 N HIS A 64 -8.314 -8.114 -8.853 1.00 0.00 N ATOM 881 CA HIS A 64 -8.863 -6.892 -9.500 1.00 0.00 C ATOM 882 C HIS A 64 -9.976 -7.245 -10.509 1.00 0.00 C ATOM 883 O HIS A 64 -10.777 -6.379 -10.865 1.00 0.00 O ATOM 884 CB HIS A 64 -7.755 -6.086 -10.235 1.00 0.00 C ATOM 885 CG HIS A 64 -6.849 -5.296 -9.347 1.00 0.00 C ATOM 886 ND1 HIS A 64 -7.280 -4.211 -8.624 1.00 0.00 N ATOM 887 CD2 HIS A 64 -5.509 -5.380 -9.138 1.00 0.00 C ATOM 888 CE1 HIS A 64 -6.230 -3.675 -8.018 1.00 0.00 C ATOM 889 NE2 HIS A 64 -5.126 -4.342 -8.299 1.00 0.00 N ATOM 0 H HIS A 64 -7.365 -8.342 -9.151 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.279 -6.278 -8.701 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.151 -6.780 -10.820 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -8.231 -5.405 -10.941 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -8.241 -3.876 -8.564 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.852 -6.129 -9.555 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.272 -2.806 -7.378 1.00 0.00 H new ATOM 897 N ASP A 65 -10.003 -8.511 -10.974 1.00 0.00 N ATOM 898 CA ASP A 65 -10.977 -8.975 -11.980 1.00 0.00 C ATOM 899 C ASP A 65 -12.397 -9.032 -11.374 1.00 0.00 C ATOM 900 O ASP A 65 -13.378 -8.677 -12.038 1.00 0.00 O ATOM 901 CB ASP A 65 -10.541 -10.345 -12.555 1.00 0.00 C ATOM 902 CG ASP A 65 -11.510 -10.913 -13.604 1.00 0.00 C ATOM 903 OD1 ASP A 65 -11.478 -10.454 -14.760 1.00 0.00 O ATOM 904 OD2 ASP A 65 -12.301 -11.823 -13.267 1.00 0.00 O ATOM 0 H ASP A 65 -9.355 -9.235 -10.664 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.004 -8.263 -12.805 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.553 -10.242 -13.004 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.447 -11.059 -11.737 1.00 0.00 H new ATOM 909 N ALA A 66 -12.493 -9.472 -10.107 1.00 0.00 N ATOM 910 CA ALA A 66 -13.744 -9.409 -9.323 1.00 0.00 C ATOM 911 C ALA A 66 -14.029 -7.952 -8.911 1.00 0.00 C ATOM 912 O ALA A 66 -15.184 -7.509 -8.887 1.00 0.00 O ATOM 913 CB ALA A 66 -13.627 -10.308 -8.086 1.00 0.00 C ATOM 0 H ALA A 66 -11.710 -9.880 -9.597 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.573 -9.765 -9.934 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.552 -10.258 -7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.450 -11.337 -8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.796 -9.969 -7.467 1.00 0.00 H new ATOM 919 N ASP A 67 -12.939 -7.281 -8.490 1.00 0.00 N ATOM 920 CA ASP A 67 -12.845 -5.817 -8.336 1.00 0.00 C ATOM 921 C ASP A 67 -13.363 -5.365 -6.959 1.00 0.00 C ATOM 922 O ASP A 67 -12.568 -4.990 -6.086 1.00 0.00 O ATOM 923 CB ASP A 67 -13.531 -5.038 -9.519 1.00 0.00 C ATOM 924 CG ASP A 67 -13.587 -3.514 -9.311 1.00 0.00 C ATOM 925 OD1 ASP A 67 -12.541 -2.844 -9.460 1.00 0.00 O ATOM 926 OD2 ASP A 67 -14.676 -2.981 -8.982 1.00 0.00 O ATOM 0 H ASP A 67 -12.073 -7.758 -8.240 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.787 -5.559 -8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.991 -5.249 -10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.545 -5.415 -9.650 1.00 0.00 H new ATOM 931 N SER A 68 -14.689 -5.473 -6.769 1.00 0.00 N ATOM 932 CA SER A 68 -15.429 -4.863 -5.639 1.00 0.00 C ATOM 933 C SER A 68 -14.978 -5.385 -4.254 1.00 0.00 C ATOM 934 O SER A 68 -14.973 -4.636 -3.266 1.00 0.00 O ATOM 935 CB SER A 68 -16.951 -5.118 -5.835 1.00 0.00 C ATOM 936 OG SER A 68 -17.730 -4.495 -4.826 1.00 0.00 O ATOM 0 H SER A 68 -15.292 -5.995 -7.405 1.00 0.00 H new ATOM 0 HA SER A 68 -15.210 -3.795 -5.647 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.258 -4.745 -6.812 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.142 -6.191 -5.829 1.00 0.00 H new ATOM 0 HG SER A 68 -17.824 -5.103 -4.063 1.00 0.00 H new ATOM 942 N PHE A 69 -14.596 -6.672 -4.195 1.00 0.00 N ATOM 943 CA PHE A 69 -14.303 -7.382 -2.919 1.00 0.00 C ATOM 944 C PHE A 69 -13.054 -8.279 -3.042 1.00 0.00 C ATOM 945 O PHE A 69 -12.751 -9.049 -2.128 1.00 0.00 O ATOM 946 CB PHE A 69 -15.547 -8.188 -2.433 1.00 0.00 C ATOM 947 CG PHE A 69 -16.625 -7.308 -1.787 1.00 0.00 C ATOM 948 CD1 PHE A 69 -16.535 -6.947 -0.441 1.00 0.00 C ATOM 949 CD2 PHE A 69 -17.713 -6.830 -2.519 1.00 0.00 C ATOM 950 CE1 PHE A 69 -17.492 -6.134 0.146 1.00 0.00 C ATOM 951 CE2 PHE A 69 -18.666 -6.015 -1.935 1.00 0.00 C ATOM 952 CZ PHE A 69 -18.560 -5.674 -0.600 1.00 0.00 C ATOM 0 H PHE A 69 -14.479 -7.256 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 69 -14.080 -6.630 -2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -15.981 -8.719 -3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -15.225 -8.942 -1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.707 -7.307 0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -17.813 -7.101 -3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -17.403 -5.860 1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -19.493 -5.645 -2.523 1.00 0.00 H new ATOM 0 HZ PHE A 69 -19.311 -5.049 -0.140 1.00 0.00 H new ATOM 962 N TYR A 70 -12.354 -8.166 -4.189 1.00 0.00 N ATOM 963 CA TYR A 70 -11.081 -8.878 -4.491 1.00 0.00 C ATOM 964 C TYR A 70 -11.159 -10.428 -4.473 1.00 0.00 C ATOM 965 O TYR A 70 -10.143 -11.091 -4.682 1.00 0.00 O ATOM 966 CB TYR A 70 -9.926 -8.364 -3.576 1.00 0.00 C ATOM 967 CG TYR A 70 -9.556 -6.894 -3.822 1.00 0.00 C ATOM 968 CD1 TYR A 70 -9.057 -6.486 -5.062 1.00 0.00 C ATOM 969 CD2 TYR A 70 -9.713 -5.925 -2.833 1.00 0.00 C ATOM 970 CE1 TYR A 70 -8.726 -5.170 -5.301 1.00 0.00 C ATOM 971 CE2 TYR A 70 -9.385 -4.604 -3.066 1.00 0.00 C ATOM 972 CZ TYR A 70 -8.896 -4.228 -4.304 1.00 0.00 C ATOM 973 OH TYR A 70 -8.564 -2.909 -4.542 1.00 0.00 O ATOM 0 H TYR A 70 -12.660 -7.564 -4.954 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.867 -8.630 -5.531 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.218 -8.487 -2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.044 -8.984 -3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.928 -7.216 -5.848 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.098 -6.213 -1.866 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.335 -4.876 -6.264 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.510 -3.868 -2.285 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.745 -2.376 -3.739 1.00 0.00 H new ATOM 983 N GLN A 71 -12.343 -11.010 -4.241 1.00 0.00 N ATOM 984 CA GLN A 71 -12.529 -12.470 -4.274 1.00 0.00 C ATOM 985 C GLN A 71 -12.994 -12.884 -5.680 1.00 0.00 C ATOM 986 O GLN A 71 -12.221 -12.766 -6.635 1.00 0.00 O ATOM 987 CB GLN A 71 -13.511 -12.900 -3.151 1.00 0.00 C ATOM 988 CG GLN A 71 -13.009 -12.616 -1.722 1.00 0.00 C ATOM 989 CD GLN A 71 -14.042 -12.915 -0.624 1.00 0.00 C ATOM 990 OE1 GLN A 71 -14.084 -12.229 0.398 1.00 0.00 O ATOM 991 NE2 GLN A 71 -14.844 -13.960 -0.798 1.00 0.00 N ATOM 0 H GLN A 71 -13.193 -10.489 -4.027 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.590 -12.987 -4.078 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -14.460 -12.385 -3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.709 -13.967 -3.248 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.115 -13.212 -1.537 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.714 -11.569 -1.653 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.787 -14.510 -1.655 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.517 -14.212 -0.074 1.00 0.00 H new ATOM 1000 N PHE A 72 -14.254 -13.333 -5.830 1.00 0.00 N ATOM 1001 CA PHE A 72 -14.833 -13.747 -7.106 1.00 0.00 C ATOM 1002 C PHE A 72 -16.286 -13.313 -7.055 1.00 0.00 C ATOM 1003 O PHE A 72 -16.942 -13.477 -6.026 1.00 0.00 O ATOM 1004 CB PHE A 72 -14.701 -15.286 -7.319 1.00 0.00 C ATOM 1005 CG PHE A 72 -13.244 -15.752 -7.395 1.00 0.00 C ATOM 1006 CD1 PHE A 72 -12.544 -15.726 -8.597 1.00 0.00 C ATOM 1007 CD2 PHE A 72 -12.553 -16.144 -6.246 1.00 0.00 C ATOM 1008 CE1 PHE A 72 -11.216 -16.098 -8.651 1.00 0.00 C ATOM 1009 CE2 PHE A 72 -11.224 -16.503 -6.304 1.00 0.00 C ATOM 1010 CZ PHE A 72 -10.557 -16.479 -7.506 1.00 0.00 C ATOM 0 H PHE A 72 -14.904 -13.417 -5.048 1.00 0.00 H new ATOM 0 HA PHE A 72 -14.312 -13.291 -7.948 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -15.202 -15.805 -6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -15.216 -15.566 -8.238 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -13.046 -15.411 -9.500 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.069 -16.166 -5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.693 -16.090 -9.596 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -10.706 -16.803 -5.405 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.515 -16.760 -7.551 1.00 0.00 H new ATOM 1020 N SER A 73 -16.780 -12.766 -8.153 1.00 0.00 N ATOM 1021 CA SER A 73 -18.073 -12.091 -8.200 1.00 0.00 C ATOM 1022 C SER A 73 -18.790 -12.422 -9.506 1.00 0.00 C ATOM 1023 O SER A 73 -18.206 -12.368 -10.587 1.00 0.00 O ATOM 1024 CB SER A 73 -17.865 -10.564 -8.048 1.00 0.00 C ATOM 1025 OG SER A 73 -16.982 -10.056 -9.034 1.00 0.00 O ATOM 0 H SER A 73 -16.292 -12.776 -9.048 1.00 0.00 H new ATOM 0 HA SER A 73 -18.698 -12.439 -7.377 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.826 -10.056 -8.124 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.467 -10.347 -7.057 1.00 0.00 H new ATOM 0 HG SER A 73 -16.555 -9.239 -8.701 1.00 0.00 H new ATOM 1031 N CYS A 74 -20.063 -12.779 -9.364 1.00 0.00 N ATOM 1032 CA CYS A 74 -20.983 -12.984 -10.489 1.00 0.00 C ATOM 1033 C CYS A 74 -21.405 -11.606 -11.015 1.00 0.00 C ATOM 1034 O CYS A 74 -21.839 -10.774 -10.229 1.00 0.00 O ATOM 1035 CB CYS A 74 -22.203 -13.822 -10.015 1.00 0.00 C ATOM 1036 SG CYS A 74 -23.549 -14.030 -11.233 1.00 0.00 S ATOM 0 H CYS A 74 -20.495 -12.937 -8.454 1.00 0.00 H new ATOM 0 HA CYS A 74 -20.503 -13.537 -11.297 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -21.849 -14.810 -9.722 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -22.616 -13.353 -9.122 1.00 0.00 H new ATOM 1041 N ASN A 75 -21.247 -11.343 -12.320 1.00 0.00 N ATOM 1042 CA ASN A 75 -21.620 -10.034 -12.911 1.00 0.00 C ATOM 1043 C ASN A 75 -23.130 -9.761 -12.769 1.00 0.00 C ATOM 1044 O ASN A 75 -23.554 -8.606 -12.686 1.00 0.00 O ATOM 1045 CB ASN A 75 -21.205 -9.964 -14.396 1.00 0.00 C ATOM 1046 CG ASN A 75 -21.495 -8.607 -15.053 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -20.679 -7.698 -14.989 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -22.664 -8.457 -15.666 1.00 0.00 N ATOM 0 H ASN A 75 -20.866 -12.011 -12.990 1.00 0.00 H new ATOM 0 HA ASN A 75 -21.083 -9.263 -12.359 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.139 -10.177 -14.477 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -21.729 -10.745 -14.948 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -22.902 -7.565 -16.100 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -23.324 -9.234 -15.703 1.00 0.00 H new ATOM 1055 N ILE A 76 -23.918 -10.844 -12.716 1.00 0.00 N ATOM 1056 CA ILE A 76 -25.379 -10.776 -12.779 1.00 0.00 C ATOM 1057 C ILE A 76 -26.012 -10.594 -11.376 1.00 0.00 C ATOM 1058 O ILE A 76 -26.915 -9.768 -11.225 1.00 0.00 O ATOM 1059 CB ILE A 76 -25.975 -12.042 -13.521 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -25.119 -12.371 -14.807 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -27.475 -11.825 -13.860 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -25.763 -13.278 -15.842 1.00 0.00 C ATOM 0 H ILE A 76 -23.556 -11.793 -12.628 1.00 0.00 H new ATOM 0 HA ILE A 76 -25.638 -9.892 -13.361 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.919 -12.904 -12.856 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -24.860 -11.430 -15.293 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -24.185 -12.831 -14.485 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -27.864 -12.707 -14.369 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -28.036 -11.660 -12.940 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -27.579 -10.956 -14.509 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -25.075 -13.426 -16.674 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -25.996 -14.241 -15.387 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -26.681 -12.818 -16.208 1.00 0.00 H new ATOM 1074 N CYS A 77 -25.547 -11.340 -10.334 1.00 0.00 N ATOM 1075 CA CYS A 77 -26.163 -11.244 -8.983 1.00 0.00 C ATOM 1076 C CYS A 77 -25.114 -11.071 -7.874 1.00 0.00 C ATOM 1077 O CYS A 77 -25.482 -10.911 -6.707 1.00 0.00 O ATOM 1078 CB CYS A 77 -27.094 -12.457 -8.705 1.00 0.00 C ATOM 1079 SG CYS A 77 -26.257 -14.059 -8.503 1.00 0.00 S ATOM 0 H CYS A 77 -24.769 -11.997 -10.401 1.00 0.00 H new ATOM 0 HA CYS A 77 -26.776 -10.343 -8.974 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -27.669 -12.251 -7.802 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -27.807 -12.541 -9.525 1.00 0.00 H new ATOM 1084 N GLY A 78 -23.805 -11.087 -8.250 1.00 0.00 N ATOM 1085 CA GLY A 78 -22.701 -10.817 -7.320 1.00 0.00 C ATOM 1086 C GLY A 78 -22.677 -11.688 -6.089 1.00 0.00 C ATOM 1087 O GLY A 78 -22.226 -11.243 -5.042 1.00 0.00 O ATOM 0 H GLY A 78 -23.500 -11.287 -9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -21.758 -10.941 -7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -22.756 -9.774 -7.008 1.00 0.00 H new ATOM 1091 N LYS A 79 -23.150 -12.941 -6.232 1.00 0.00 N ATOM 1092 CA LYS A 79 -23.360 -13.846 -5.099 1.00 0.00 C ATOM 1093 C LYS A 79 -22.048 -14.194 -4.337 1.00 0.00 C ATOM 1094 O LYS A 79 -22.119 -14.570 -3.166 1.00 0.00 O ATOM 1095 CB LYS A 79 -24.048 -15.145 -5.606 1.00 0.00 C ATOM 1096 CG LYS A 79 -24.807 -15.921 -4.498 1.00 0.00 C ATOM 1097 CD LYS A 79 -24.628 -17.452 -4.545 1.00 0.00 C ATOM 1098 CE LYS A 79 -23.185 -17.889 -4.252 1.00 0.00 C ATOM 1099 NZ LYS A 79 -22.692 -17.413 -2.937 1.00 0.00 N ATOM 0 H LYS A 79 -23.395 -13.348 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 79 -23.998 -13.328 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -24.747 -14.889 -6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -23.293 -15.799 -6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -24.472 -15.559 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -25.870 -15.691 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -25.298 -17.914 -3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -24.922 -17.818 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -23.127 -18.977 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -22.530 -17.512 -5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -21.840 -17.947 -2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -22.461 -16.401 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -23.429 -17.557 -2.217 1.00 0.00 H new ATOM 1113 N LYS A 80 -20.877 -14.072 -5.020 1.00 0.00 N ATOM 1114 CA LYS A 80 -19.526 -14.273 -4.432 1.00 0.00 C ATOM 1115 C LYS A 80 -19.202 -15.766 -4.281 1.00 0.00 C ATOM 1116 O LYS A 80 -19.915 -16.506 -3.591 1.00 0.00 O ATOM 1117 CB LYS A 80 -19.291 -13.520 -3.081 1.00 0.00 C ATOM 1118 CG LYS A 80 -19.522 -11.995 -3.144 1.00 0.00 C ATOM 1119 CD LYS A 80 -18.721 -11.300 -4.270 1.00 0.00 C ATOM 1120 CE LYS A 80 -18.887 -9.771 -4.249 1.00 0.00 C ATOM 1121 NZ LYS A 80 -20.315 -9.356 -4.275 1.00 0.00 N ATOM 0 H LYS A 80 -20.846 -13.827 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 80 -18.836 -13.824 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -19.953 -13.943 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -18.269 -13.706 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -20.585 -11.801 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -19.247 -11.553 -2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.665 -11.550 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.048 -11.685 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.411 -9.369 -3.355 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.370 -9.340 -5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.414 -8.488 -4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -20.889 -10.113 -4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.642 -9.176 -3.304 1.00 0.00 H new ATOM 1135 N PHE A 81 -18.133 -16.203 -4.979 1.00 0.00 N ATOM 1136 CA PHE A 81 -17.700 -17.622 -5.019 1.00 0.00 C ATOM 1137 C PHE A 81 -16.230 -17.781 -4.615 1.00 0.00 C ATOM 1138 O PHE A 81 -15.470 -16.806 -4.585 1.00 0.00 O ATOM 1139 CB PHE A 81 -17.923 -18.192 -6.437 1.00 0.00 C ATOM 1140 CG PHE A 81 -19.391 -18.218 -6.845 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -20.004 -17.097 -7.409 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -20.164 -19.353 -6.633 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -21.333 -17.119 -7.748 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -21.491 -19.370 -6.970 1.00 0.00 C ATOM 1145 CZ PHE A 81 -22.073 -18.254 -7.525 1.00 0.00 C ATOM 0 H PHE A 81 -17.542 -15.583 -5.533 1.00 0.00 H new ATOM 0 HA PHE A 81 -18.300 -18.177 -4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -17.363 -17.593 -7.155 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -17.521 -19.204 -6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -19.425 -16.202 -7.580 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -19.713 -20.232 -6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -21.795 -16.248 -8.188 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -22.080 -20.259 -6.800 1.00 0.00 H new ATOM 0 HZ PHE A 81 -23.120 -18.271 -7.787 1.00 0.00 H new ATOM 1155 N GLU A 82 -15.856 -19.027 -4.271 1.00 0.00 N ATOM 1156 CA GLU A 82 -14.479 -19.384 -3.908 1.00 0.00 C ATOM 1157 C GLU A 82 -13.523 -19.397 -5.121 1.00 0.00 C ATOM 1158 O GLU A 82 -12.340 -19.095 -4.964 1.00 0.00 O ATOM 1159 CB GLU A 82 -14.461 -20.753 -3.188 1.00 0.00 C ATOM 1160 CG GLU A 82 -13.140 -21.085 -2.467 1.00 0.00 C ATOM 1161 CD GLU A 82 -12.843 -20.127 -1.295 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -13.297 -20.402 -0.165 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -12.172 -19.089 -1.504 1.00 0.00 O ATOM 0 H GLU A 82 -16.504 -19.814 -4.238 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.113 -18.610 -3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -15.272 -20.776 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.667 -21.535 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -13.183 -22.108 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.319 -21.041 -3.183 1.00 0.00 H new ATOM 1170 N LYS A 83 -14.033 -19.761 -6.322 1.00 0.00 N ATOM 1171 CA LYS A 83 -13.231 -19.738 -7.557 1.00 0.00 C ATOM 1172 C LYS A 83 -14.104 -19.464 -8.785 1.00 0.00 C ATOM 1173 O LYS A 83 -15.335 -19.569 -8.728 1.00 0.00 O ATOM 1174 CB LYS A 83 -12.406 -21.050 -7.735 1.00 0.00 C ATOM 1175 CG LYS A 83 -13.228 -22.353 -7.856 1.00 0.00 C ATOM 1176 CD LYS A 83 -12.322 -23.573 -8.168 1.00 0.00 C ATOM 1177 CE LYS A 83 -13.082 -24.910 -8.197 1.00 0.00 C ATOM 1178 NZ LYS A 83 -13.652 -25.266 -6.869 1.00 0.00 N ATOM 0 H LYS A 83 -14.995 -20.073 -6.456 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.521 -18.916 -7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.788 -20.949 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.728 -21.148 -6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.770 -22.530 -6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.973 -22.242 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.837 -23.419 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.532 -23.630 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.886 -24.852 -8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.408 -25.701 -8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.066 -26.219 -6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.899 -25.248 -6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.390 -24.580 -6.613 1.00 0.00 H new ATOM 1192 N LYS A 84 -13.420 -19.123 -9.892 1.00 0.00 N ATOM 1193 CA LYS A 84 -14.031 -18.794 -11.196 1.00 0.00 C ATOM 1194 C LYS A 84 -14.928 -19.931 -11.700 1.00 0.00 C ATOM 1195 O LYS A 84 -16.014 -19.680 -12.222 1.00 0.00 O ATOM 1196 CB LYS A 84 -12.920 -18.512 -12.241 1.00 0.00 C ATOM 1197 CG LYS A 84 -12.019 -17.303 -11.913 1.00 0.00 C ATOM 1198 CD LYS A 84 -10.903 -17.071 -12.952 1.00 0.00 C ATOM 1199 CE LYS A 84 -11.440 -16.830 -14.375 1.00 0.00 C ATOM 1200 NZ LYS A 84 -10.355 -16.486 -15.333 1.00 0.00 N ATOM 0 H LYS A 84 -12.402 -19.067 -9.907 1.00 0.00 H new ATOM 0 HA LYS A 84 -14.649 -17.907 -11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.294 -19.400 -12.335 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.387 -18.347 -13.212 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.636 -16.407 -11.847 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.567 -17.452 -10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.304 -16.213 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.240 -17.936 -12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.959 -17.723 -14.722 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.173 -16.023 -14.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.762 -16.332 -16.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.875 -15.619 -15.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.668 -17.266 -15.375 1.00 0.00 H new ATOM 1214 N ASP A 85 -14.454 -21.175 -11.509 1.00 0.00 N ATOM 1215 CA ASP A 85 -15.179 -22.402 -11.913 1.00 0.00 C ATOM 1216 C ASP A 85 -16.601 -22.434 -11.330 1.00 0.00 C ATOM 1217 O ASP A 85 -17.557 -22.789 -12.029 1.00 0.00 O ATOM 1218 CB ASP A 85 -14.392 -23.647 -11.451 1.00 0.00 C ATOM 1219 CG ASP A 85 -15.046 -24.988 -11.852 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -14.790 -25.474 -12.976 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -15.812 -25.560 -11.042 1.00 0.00 O ATOM 0 H ASP A 85 -13.553 -21.363 -11.068 1.00 0.00 H new ATOM 0 HA ASP A 85 -15.264 -22.403 -13.000 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -13.387 -23.605 -11.870 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.287 -23.616 -10.367 1.00 0.00 H new ATOM 1226 N SER A 86 -16.727 -22.034 -10.050 1.00 0.00 N ATOM 1227 CA SER A 86 -18.011 -22.016 -9.347 1.00 0.00 C ATOM 1228 C SER A 86 -18.980 -20.977 -9.956 1.00 0.00 C ATOM 1229 O SER A 86 -20.183 -21.194 -9.970 1.00 0.00 O ATOM 1230 CB SER A 86 -17.755 -21.702 -7.864 1.00 0.00 C ATOM 1231 OG SER A 86 -16.746 -22.546 -7.333 1.00 0.00 O ATOM 0 H SER A 86 -15.941 -21.717 -9.482 1.00 0.00 H new ATOM 0 HA SER A 86 -18.482 -22.993 -9.449 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.456 -20.659 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 86 -18.677 -21.830 -7.297 1.00 0.00 H new ATOM 0 HG SER A 86 -16.599 -22.327 -6.389 1.00 0.00 H new ATOM 1237 N VAL A 87 -18.414 -19.863 -10.472 1.00 0.00 N ATOM 1238 CA VAL A 87 -19.190 -18.707 -10.987 1.00 0.00 C ATOM 1239 C VAL A 87 -19.779 -19.039 -12.374 1.00 0.00 C ATOM 1240 O VAL A 87 -20.943 -18.747 -12.665 1.00 0.00 O ATOM 1241 CB VAL A 87 -18.326 -17.381 -11.109 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -19.240 -16.145 -11.287 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -17.361 -17.191 -9.912 1.00 0.00 C ATOM 0 H VAL A 87 -17.404 -19.738 -10.544 1.00 0.00 H new ATOM 0 HA VAL A 87 -19.982 -18.524 -10.261 1.00 0.00 H new ATOM 0 HB VAL A 87 -17.705 -17.485 -11.999 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -18.627 -15.248 -11.368 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -19.836 -16.261 -12.192 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -19.902 -16.055 -10.426 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -16.794 -16.270 -10.045 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -17.935 -17.134 -8.987 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -16.674 -18.036 -9.861 1.00 0.00 H new ATOM 1253 N VAL A 88 -18.930 -19.671 -13.195 1.00 0.00 N ATOM 1254 CA VAL A 88 -19.210 -19.992 -14.609 1.00 0.00 C ATOM 1255 C VAL A 88 -20.262 -21.096 -14.677 1.00 0.00 C ATOM 1256 O VAL A 88 -21.214 -21.032 -15.465 1.00 0.00 O ATOM 1257 CB VAL A 88 -17.890 -20.441 -15.358 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -18.174 -20.871 -16.822 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -16.821 -19.315 -15.300 1.00 0.00 C ATOM 0 H VAL A 88 -18.007 -19.982 -12.892 1.00 0.00 H new ATOM 0 HA VAL A 88 -19.588 -19.099 -15.106 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.497 -21.316 -14.840 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -17.242 -21.172 -17.300 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -18.871 -21.709 -16.826 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -18.609 -20.035 -17.369 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -15.920 -19.641 -15.820 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -17.212 -18.417 -15.779 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -16.580 -19.095 -14.260 1.00 0.00 H new ATOM 1269 N ALA A 89 -20.087 -22.078 -13.765 1.00 0.00 N ATOM 1270 CA ALA A 89 -20.993 -23.219 -13.639 1.00 0.00 C ATOM 1271 C ALA A 89 -22.357 -22.743 -13.126 1.00 0.00 C ATOM 1272 O ALA A 89 -23.405 -23.224 -13.555 1.00 0.00 O ATOM 1273 CB ALA A 89 -20.400 -24.270 -12.694 1.00 0.00 C ATOM 0 H ALA A 89 -19.313 -22.093 -13.101 1.00 0.00 H new ATOM 0 HA ALA A 89 -21.125 -23.678 -14.619 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -21.086 -25.113 -12.611 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -19.445 -24.617 -13.089 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -20.246 -23.829 -11.709 1.00 0.00 H new ATOM 1279 N HIS A 90 -22.304 -21.746 -12.223 1.00 0.00 N ATOM 1280 CA HIS A 90 -23.494 -21.134 -11.613 1.00 0.00 C ATOM 1281 C HIS A 90 -24.308 -20.330 -12.643 1.00 0.00 C ATOM 1282 O HIS A 90 -25.512 -20.466 -12.700 1.00 0.00 O ATOM 1283 CB HIS A 90 -23.056 -20.235 -10.422 1.00 0.00 C ATOM 1284 CG HIS A 90 -23.952 -19.067 -10.094 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -25.015 -19.121 -9.227 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -23.868 -17.772 -10.502 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -25.523 -17.888 -9.129 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -24.858 -17.037 -9.886 1.00 0.00 N ATOM 0 H HIS A 90 -21.427 -21.341 -11.896 1.00 0.00 H new ATOM 0 HA HIS A 90 -24.145 -21.927 -11.245 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -22.974 -20.862 -9.534 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -22.058 -19.850 -10.634 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -25.356 -19.952 -8.744 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -23.141 -17.382 -11.198 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -26.368 -17.623 -8.510 1.00 0.00 H new ATOM 1296 N LYS A 91 -23.610 -19.524 -13.461 1.00 0.00 N ATOM 1297 CA LYS A 91 -24.232 -18.494 -14.329 1.00 0.00 C ATOM 1298 C LYS A 91 -25.008 -19.173 -15.462 1.00 0.00 C ATOM 1299 O LYS A 91 -26.104 -18.743 -15.834 1.00 0.00 O ATOM 1300 CB LYS A 91 -23.150 -17.562 -14.938 1.00 0.00 C ATOM 1301 CG LYS A 91 -23.720 -16.363 -15.737 1.00 0.00 C ATOM 1302 CD LYS A 91 -22.693 -15.718 -16.693 1.00 0.00 C ATOM 1303 CE LYS A 91 -22.250 -16.676 -17.815 1.00 0.00 C ATOM 1304 NZ LYS A 91 -21.257 -16.056 -18.718 1.00 0.00 N ATOM 0 H LYS A 91 -22.594 -19.564 -13.543 1.00 0.00 H new ATOM 0 HA LYS A 91 -24.911 -17.896 -13.720 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -22.520 -17.182 -14.134 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.508 -18.150 -15.595 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -24.582 -16.698 -16.314 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -24.078 -15.608 -15.038 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.126 -14.821 -17.135 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -21.819 -15.402 -16.123 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -21.825 -17.578 -17.374 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -23.121 -16.984 -18.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.988 -16.736 -19.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -21.670 -15.210 -19.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -20.414 -15.785 -18.173 1.00 0.00 H new ATOM 1318 N ALA A 92 -24.391 -20.244 -15.989 1.00 0.00 N ATOM 1319 CA ALA A 92 -24.963 -21.080 -17.048 1.00 0.00 C ATOM 1320 C ALA A 92 -26.325 -21.691 -16.635 1.00 0.00 C ATOM 1321 O ALA A 92 -27.206 -21.902 -17.474 1.00 0.00 O ATOM 1322 CB ALA A 92 -23.962 -22.183 -17.419 1.00 0.00 C ATOM 0 H ALA A 92 -23.468 -20.554 -15.684 1.00 0.00 H new ATOM 0 HA ALA A 92 -25.152 -20.450 -17.917 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -24.384 -22.807 -18.207 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -23.036 -21.730 -17.772 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -23.755 -22.796 -16.542 1.00 0.00 H new ATOM 1328 N LYS A 93 -26.493 -21.939 -15.318 1.00 0.00 N ATOM 1329 CA LYS A 93 -27.661 -22.680 -14.764 1.00 0.00 C ATOM 1330 C LYS A 93 -28.690 -21.727 -14.122 1.00 0.00 C ATOM 1331 O LYS A 93 -29.903 -21.899 -14.291 1.00 0.00 O ATOM 1332 CB LYS A 93 -27.161 -23.708 -13.706 1.00 0.00 C ATOM 1333 CG LYS A 93 -26.153 -24.728 -14.274 1.00 0.00 C ATOM 1334 CD LYS A 93 -25.641 -25.736 -13.220 1.00 0.00 C ATOM 1335 CE LYS A 93 -24.606 -26.713 -13.805 1.00 0.00 C ATOM 1336 NZ LYS A 93 -24.146 -27.691 -12.791 1.00 0.00 N ATOM 0 H LYS A 93 -25.829 -21.635 -14.606 1.00 0.00 H new ATOM 0 HA LYS A 93 -28.158 -23.197 -15.585 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -26.697 -23.171 -12.879 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -28.018 -24.244 -13.297 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -26.622 -25.275 -15.091 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -25.303 -24.192 -14.696 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -25.195 -25.193 -12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -26.484 -26.299 -12.819 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -25.043 -27.243 -14.651 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -23.752 -26.154 -14.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -23.450 -28.334 -13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -23.707 -27.185 -11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -24.958 -28.241 -12.446 1.00 0.00 H new ATOM 1350 N SER A 94 -28.176 -20.721 -13.406 1.00 0.00 N ATOM 1351 CA SER A 94 -28.962 -19.813 -12.557 1.00 0.00 C ATOM 1352 C SER A 94 -29.522 -18.640 -13.371 1.00 0.00 C ATOM 1353 O SER A 94 -30.462 -17.965 -12.933 1.00 0.00 O ATOM 1354 CB SER A 94 -28.076 -19.281 -11.407 1.00 0.00 C ATOM 1355 OG SER A 94 -28.793 -18.466 -10.504 1.00 0.00 O ATOM 0 H SER A 94 -27.178 -20.509 -13.399 1.00 0.00 H new ATOM 0 HA SER A 94 -29.803 -20.370 -12.144 1.00 0.00 H new ATOM 0 HB2 SER A 94 -27.644 -20.123 -10.867 1.00 0.00 H new ATOM 0 HB3 SER A 94 -27.247 -18.711 -11.826 1.00 0.00 H new ATOM 0 HG SER A 94 -28.240 -18.287 -9.715 1.00 0.00 H new ATOM 1361 N HIS A 95 -28.943 -18.403 -14.566 1.00 0.00 N ATOM 1362 CA HIS A 95 -29.319 -17.266 -15.431 1.00 0.00 C ATOM 1363 C HIS A 95 -29.479 -17.722 -16.922 1.00 0.00 C ATOM 1364 O HIS A 95 -28.788 -17.192 -17.804 1.00 0.00 O ATOM 1365 CB HIS A 95 -28.253 -16.120 -15.306 1.00 0.00 C ATOM 1366 CG HIS A 95 -27.916 -15.693 -13.889 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -28.836 -15.222 -12.981 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -26.717 -15.661 -13.242 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -28.190 -14.924 -11.843 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -26.899 -15.173 -11.956 1.00 0.00 N ATOM 0 H HIS A 95 -28.206 -18.990 -14.957 1.00 0.00 H new ATOM 0 HA HIS A 95 -30.284 -16.882 -15.099 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -27.336 -16.446 -15.797 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -28.615 -15.249 -15.853 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -29.837 -15.117 -13.145 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -25.772 -15.968 -13.665 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -28.663 -14.533 -10.954 1.00 0.00 H new ATOM 1378 N PRO A 96 -30.389 -18.719 -17.249 1.00 0.00 N ATOM 1379 CA PRO A 96 -30.652 -19.122 -18.656 1.00 0.00 C ATOM 1380 C PRO A 96 -31.352 -17.982 -19.451 1.00 0.00 C ATOM 1381 O PRO A 96 -31.026 -17.744 -20.618 1.00 0.00 O ATOM 1382 CB PRO A 96 -31.542 -20.393 -18.516 1.00 0.00 C ATOM 1383 CG PRO A 96 -32.204 -20.247 -17.183 1.00 0.00 C ATOM 1384 CD PRO A 96 -31.195 -19.539 -16.301 1.00 0.00 C ATOM 0 HA PRO A 96 -29.743 -19.324 -19.222 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -32.277 -20.452 -19.319 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -30.944 -21.303 -18.564 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -33.126 -19.671 -17.264 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -32.471 -21.220 -16.770 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -31.687 -18.915 -15.555 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -30.571 -20.250 -15.760 1.00 0.00 H new ATOM 1392 N GLU A 97 -32.306 -17.283 -18.793 1.00 0.00 N ATOM 1393 CA GLU A 97 -32.973 -16.095 -19.329 1.00 0.00 C ATOM 1394 C GLU A 97 -32.502 -14.892 -18.501 1.00 0.00 C ATOM 1395 O GLU A 97 -33.036 -14.603 -17.421 1.00 0.00 O ATOM 1396 CB GLU A 97 -34.532 -16.232 -19.269 1.00 0.00 C ATOM 1397 CG GLU A 97 -35.181 -17.226 -20.265 1.00 0.00 C ATOM 1398 CD GLU A 97 -34.870 -18.709 -19.986 1.00 0.00 C ATOM 1399 OE1 GLU A 97 -35.418 -19.270 -19.001 1.00 0.00 O ATOM 1400 OE2 GLU A 97 -34.106 -19.326 -20.755 1.00 0.00 O ATOM 0 H GLU A 97 -32.632 -17.540 -17.861 1.00 0.00 H new ATOM 0 HA GLU A 97 -32.714 -15.967 -20.380 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -34.809 -16.533 -18.259 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -34.967 -15.247 -19.439 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -36.262 -17.085 -20.246 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -34.845 -16.981 -21.273 1.00 0.00 H new ATOM 1407 N VAL A 98 -31.476 -14.225 -19.007 1.00 0.00 N ATOM 1408 CA VAL A 98 -30.939 -12.977 -18.440 1.00 0.00 C ATOM 1409 C VAL A 98 -30.958 -11.864 -19.516 1.00 0.00 C ATOM 1410 O VAL A 98 -31.632 -10.834 -19.309 1.00 0.00 O ATOM 1411 CB VAL A 98 -29.497 -13.169 -17.798 1.00 0.00 C ATOM 1412 CG1 VAL A 98 -28.489 -13.870 -18.744 1.00 0.00 C ATOM 1413 CG2 VAL A 98 -28.941 -11.816 -17.274 1.00 0.00 C ATOM 1414 OXT VAL A 98 -30.341 -12.042 -20.588 1.00 0.00 O ATOM 0 H VAL A 98 -30.976 -14.535 -19.841 1.00 0.00 H new ATOM 0 HA VAL A 98 -31.584 -12.673 -17.616 1.00 0.00 H new ATOM 0 HB VAL A 98 -29.624 -13.844 -16.951 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -27.527 -13.968 -18.242 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -28.864 -14.859 -19.007 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -28.367 -13.276 -19.650 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -27.954 -11.972 -16.839 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -28.866 -11.109 -18.100 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -29.613 -11.416 -16.514 1.00 0.00 H new TER 1424 VAL A 98 HETATM 1425 ZN ZN A 101 15.465 0.718 3.756 1.00 0.00 ZN HETATM 1426 ZN ZN A 102 -3.314 -4.143 -7.308 1.00 0.00 ZN HETATM 1427 ZN ZN A 103 -25.454 -15.139 -10.434 1.00 0.00 ZN