USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 545 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 Set 1.1: A 24 SER OG : rot 92:sc= 1.24 USER MOD Set 1.2: A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 17 THR OG1 : rot 107:sc= 0.418 USER MOD Set 2.2: A 20 SER OG : rot -26:sc= 0.669 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 17:sc= -0.044 USER MOD Single : A 10 THR OG1 : rot -104:sc= 1.28 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 19:sc= 0.00437 USER MOD Single : A 19 GLN : amide:sc=-0.00396 K(o=-0.004,f=-1) USER MOD Single : A 21 CYS SG : rot 4:sc= -0.653 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -77:sc= 1.1 USER MOD Single : A 31 ASN : amide:sc= -0.0313 K(o=-0.031,f=-1.3!) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.12) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 144:sc= 0 (180deg=-0.0872) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= -0.0187 (180deg=-0.0188) USER MOD Single : A 51 TYR OH : rot 180:sc= -1.63 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -2.49! USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 60 GLN : amide:sc= -1.98! C(o=-2!,f=-4.3!) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -1.09 K(o=-1.1,f=0.32) USER MOD Single : A 64 GLN : amide:sc= -3.49! C(o=-3.5!,f=-2.2!) USER MOD Single : A 73 SER OG : rot 144:sc= 0.346 USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 6.368 -9.964 -0.570 1.00 0.00 N ATOM 72 CA VAL A 6 5.802 -8.861 0.168 1.00 0.00 C ATOM 73 C VAL A 6 6.286 -7.546 -0.408 1.00 0.00 C ATOM 74 O VAL A 6 7.486 -7.273 -0.439 1.00 0.00 O ATOM 75 CB VAL A 6 6.169 -8.931 1.670 1.00 0.00 C ATOM 76 CG1 VAL A 6 5.567 -7.757 2.432 1.00 0.00 C ATOM 77 CG2 VAL A 6 5.709 -10.249 2.271 1.00 0.00 C ATOM 0 HA VAL A 6 4.718 -8.928 0.078 1.00 0.00 H new ATOM 0 HB VAL A 6 7.254 -8.871 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.839 -7.829 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.949 -6.822 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.482 -7.779 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.976 -10.280 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.628 -10.339 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.193 -11.075 1.750 1.00 0.00 H new ATOM 87 N ALA A 7 5.355 -6.748 -0.871 1.00 0.00 N ATOM 88 CA ALA A 7 5.672 -5.460 -1.431 1.00 0.00 C ATOM 89 C ALA A 7 4.950 -4.384 -0.659 1.00 0.00 C ATOM 90 O ALA A 7 3.722 -4.423 -0.529 1.00 0.00 O ATOM 91 CB ALA A 7 5.284 -5.411 -2.901 1.00 0.00 C ATOM 0 H ALA A 7 4.360 -6.973 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 7 6.746 -5.292 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.530 -4.431 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.831 -6.180 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.213 -5.587 -3.001 1.00 0.00 H new ATOM 97 N THR A 8 5.697 -3.435 -0.145 1.00 0.00 N ATOM 98 CA THR A 8 5.126 -2.364 0.629 1.00 0.00 C ATOM 99 C THR A 8 5.534 -1.019 0.064 1.00 0.00 C ATOM 100 O THR A 8 6.591 -0.885 -0.565 1.00 0.00 O ATOM 101 CB THR A 8 5.560 -2.452 2.110 1.00 0.00 C ATOM 102 OG1 THR A 8 6.988 -2.442 2.199 1.00 0.00 O ATOM 103 CG2 THR A 8 5.020 -3.715 2.765 1.00 0.00 C ATOM 0 H THR A 8 6.710 -3.386 -0.252 1.00 0.00 H new ATOM 0 HA THR A 8 4.042 -2.464 0.575 1.00 0.00 H new ATOM 0 HB THR A 8 5.151 -1.588 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.258 -2.496 3.140 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.341 -3.751 3.806 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.931 -3.711 2.721 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.401 -4.590 2.238 1.00 0.00 H new ATOM 111 N SER A 9 4.696 -0.033 0.263 1.00 0.00 N ATOM 112 CA SER A 9 4.981 1.293 -0.202 1.00 0.00 C ATOM 113 C SER A 9 4.172 2.298 0.583 1.00 0.00 C ATOM 114 O SER A 9 3.047 2.008 1.011 1.00 0.00 O ATOM 115 CB SER A 9 4.658 1.413 -1.696 1.00 0.00 C ATOM 116 OG SER A 9 5.021 2.689 -2.206 1.00 0.00 O ATOM 0 H SER A 9 3.804 -0.129 0.749 1.00 0.00 H new ATOM 0 HA SER A 9 6.042 1.496 -0.056 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.187 0.636 -2.247 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.592 1.247 -1.854 1.00 0.00 H new ATOM 0 HG SER A 9 5.637 3.127 -1.583 1.00 0.00 H new ATOM 122 N THR A 10 4.743 3.456 0.795 1.00 0.00 N ATOM 123 CA THR A 10 4.050 4.519 1.437 1.00 0.00 C ATOM 124 C THR A 10 3.795 5.631 0.435 1.00 0.00 C ATOM 125 O THR A 10 4.716 6.304 -0.021 1.00 0.00 O ATOM 126 CB THR A 10 4.827 5.062 2.667 1.00 0.00 C ATOM 127 OG1 THR A 10 6.163 5.444 2.297 1.00 0.00 O ATOM 128 CG2 THR A 10 4.893 4.017 3.767 1.00 0.00 C ATOM 0 H THR A 10 5.701 3.678 0.524 1.00 0.00 H new ATOM 0 HA THR A 10 3.101 4.132 1.807 1.00 0.00 H new ATOM 0 HB THR A 10 4.292 5.937 3.035 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.796 4.764 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.442 4.419 4.619 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.883 3.752 4.079 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.402 3.128 3.394 1.00 0.00 H new ATOM 136 N VAL A 11 2.552 5.800 0.071 1.00 0.00 N ATOM 137 CA VAL A 11 2.188 6.827 -0.864 1.00 0.00 C ATOM 138 C VAL A 11 1.814 8.082 -0.106 1.00 0.00 C ATOM 139 O VAL A 11 0.858 8.090 0.675 1.00 0.00 O ATOM 140 CB VAL A 11 1.028 6.370 -1.809 1.00 0.00 C ATOM 141 CG1 VAL A 11 -0.178 5.868 -1.020 1.00 0.00 C ATOM 142 CG2 VAL A 11 0.621 7.494 -2.754 1.00 0.00 C ATOM 0 H VAL A 11 1.772 5.236 0.410 1.00 0.00 H new ATOM 0 HA VAL A 11 3.046 7.035 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 11 1.403 5.537 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.962 5.560 -1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.118 5.018 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.552 6.667 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.187 7.151 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.282 8.352 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.476 7.784 -3.365 1.00 0.00 H new ATOM 152 N ARG A 12 2.592 9.133 -0.288 1.00 0.00 N ATOM 153 CA ARG A 12 2.326 10.362 0.426 1.00 0.00 C ATOM 154 C ARG A 12 1.260 11.148 -0.275 1.00 0.00 C ATOM 155 O ARG A 12 1.155 11.100 -1.493 1.00 0.00 O ATOM 156 CB ARG A 12 3.589 11.200 0.638 1.00 0.00 C ATOM 157 CG ARG A 12 4.197 11.786 -0.613 1.00 0.00 C ATOM 158 CD ARG A 12 5.429 12.607 -0.270 1.00 0.00 C ATOM 159 NE ARG A 12 6.041 13.211 -1.448 1.00 0.00 N ATOM 160 CZ ARG A 12 7.114 14.004 -1.413 1.00 0.00 C ATOM 161 NH1 ARG A 12 7.706 14.281 -0.251 1.00 0.00 N ATOM 162 NH2 ARG A 12 7.600 14.515 -2.536 1.00 0.00 N ATOM 0 H ARG A 12 3.398 9.159 -0.913 1.00 0.00 H new ATOM 0 HA ARG A 12 1.967 10.094 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.353 12.015 1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.338 10.579 1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.466 10.986 -1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.465 12.413 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.155 13.391 0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.159 11.970 0.229 1.00 0.00 H new ATOM 0 HE ARG A 12 5.622 13.015 -2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.339 13.886 0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.526 14.887 -0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.154 14.302 -3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.420 15.121 -2.508 1.00 0.00 H new ATOM 176 N ILE A 13 0.481 11.870 0.484 1.00 0.00 N ATOM 177 CA ILE A 13 -0.622 12.618 -0.064 1.00 0.00 C ATOM 178 C ILE A 13 -0.563 14.067 0.376 1.00 0.00 C ATOM 179 O ILE A 13 -0.378 14.365 1.555 1.00 0.00 O ATOM 180 CB ILE A 13 -1.994 11.965 0.341 1.00 0.00 C ATOM 181 CG1 ILE A 13 -3.211 12.846 -0.061 1.00 0.00 C ATOM 182 CG2 ILE A 13 -2.027 11.632 1.833 1.00 0.00 C ATOM 183 CD1 ILE A 13 -3.607 13.907 0.963 1.00 0.00 C ATOM 0 H ILE A 13 0.590 11.957 1.494 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.542 12.592 -1.151 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.077 11.034 -0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.986 13.341 -1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.068 12.196 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.987 11.182 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.226 10.931 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.892 12.545 2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.464 14.469 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.869 13.424 1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.770 14.587 1.125 1.00 0.00 H new ATOM 195 N LEU A 14 -0.698 14.958 -0.578 1.00 0.00 N ATOM 196 CA LEU A 14 -0.737 16.367 -0.296 1.00 0.00 C ATOM 197 C LEU A 14 -2.107 16.904 -0.670 1.00 0.00 C ATOM 198 O LEU A 14 -2.497 16.882 -1.842 1.00 0.00 O ATOM 199 CB LEU A 14 0.382 17.101 -1.067 1.00 0.00 C ATOM 200 CG LEU A 14 0.529 18.612 -0.796 1.00 0.00 C ATOM 201 CD1 LEU A 14 1.948 19.064 -1.083 1.00 0.00 C ATOM 202 CD2 LEU A 14 -0.440 19.414 -1.652 1.00 0.00 C ATOM 0 H LEU A 14 -0.783 14.724 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.567 16.538 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.331 16.619 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.209 16.961 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 14 0.299 18.787 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.036 20.133 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.640 18.519 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.189 18.866 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.317 20.477 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.236 19.226 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.462 19.115 -1.421 1.00 0.00 H new ATOM 214 N GLY A 15 -2.844 17.361 0.320 1.00 0.00 N ATOM 215 CA GLY A 15 -4.149 17.895 0.061 1.00 0.00 C ATOM 216 C GLY A 15 -4.754 18.557 1.271 1.00 0.00 C ATOM 217 O GLY A 15 -4.451 18.191 2.410 1.00 0.00 O ATOM 0 H GLY A 15 -2.559 17.371 1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.087 18.619 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.806 17.093 -0.276 1.00 0.00 H new ATOM 221 N MET A 16 -5.612 19.526 1.023 1.00 0.00 N ATOM 222 CA MET A 16 -6.307 20.252 2.077 1.00 0.00 C ATOM 223 C MET A 16 -7.423 19.407 2.690 1.00 0.00 C ATOM 224 O MET A 16 -7.836 19.633 3.826 1.00 0.00 O ATOM 225 CB MET A 16 -6.856 21.570 1.525 1.00 0.00 C ATOM 226 CG MET A 16 -7.788 21.392 0.340 1.00 0.00 C ATOM 227 SD MET A 16 -8.280 22.955 -0.400 1.00 0.00 S ATOM 228 CE MET A 16 -9.220 22.361 -1.801 1.00 0.00 C ATOM 0 H MET A 16 -5.851 19.837 0.081 1.00 0.00 H new ATOM 0 HA MET A 16 -5.595 20.474 2.872 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.388 22.093 2.319 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.022 22.205 1.228 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.296 20.777 -0.414 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.678 20.851 0.662 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.600 23.209 -2.371 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.578 21.754 -2.439 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.056 21.757 -1.448 1.00 0.00 H new ATOM 238 N THR A 17 -7.914 18.446 1.929 1.00 0.00 N ATOM 239 CA THR A 17 -8.929 17.533 2.410 1.00 0.00 C ATOM 240 C THR A 17 -8.426 16.099 2.291 1.00 0.00 C ATOM 241 O THR A 17 -8.659 15.419 1.287 1.00 0.00 O ATOM 242 CB THR A 17 -10.254 17.697 1.637 1.00 0.00 C ATOM 243 OG1 THR A 17 -9.993 17.672 0.233 1.00 0.00 O ATOM 244 CG2 THR A 17 -10.941 19.005 2.002 1.00 0.00 C ATOM 0 H THR A 17 -7.621 18.279 0.966 1.00 0.00 H new ATOM 0 HA THR A 17 -9.127 17.767 3.456 1.00 0.00 H new ATOM 0 HB THR A 17 -10.915 16.873 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.306 16.823 -0.143 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.872 19.095 1.443 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.157 19.017 3.070 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.287 19.841 1.754 1.00 0.00 H new ATOM 252 N CYS A 18 -7.704 15.666 3.305 1.00 0.00 N ATOM 253 CA CYS A 18 -7.085 14.354 3.310 1.00 0.00 C ATOM 254 C CYS A 18 -8.117 13.225 3.279 1.00 0.00 C ATOM 255 O CYS A 18 -7.931 12.226 2.579 1.00 0.00 O ATOM 256 CB CYS A 18 -6.184 14.208 4.533 1.00 0.00 C ATOM 257 SG CYS A 18 -4.704 15.249 4.490 1.00 0.00 S ATOM 0 H CYS A 18 -7.529 16.212 4.148 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.488 14.271 2.402 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.760 14.451 5.426 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.879 13.165 4.624 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.872 16.207 3.627 1.00 0.00 H new ATOM 263 N GLN A 19 -9.206 13.389 4.015 1.00 0.00 N ATOM 264 CA GLN A 19 -10.201 12.335 4.122 1.00 0.00 C ATOM 265 C GLN A 19 -10.881 12.028 2.790 1.00 0.00 C ATOM 266 O GLN A 19 -11.087 10.868 2.455 1.00 0.00 O ATOM 267 CB GLN A 19 -11.242 12.662 5.184 1.00 0.00 C ATOM 268 CG GLN A 19 -10.695 12.625 6.599 1.00 0.00 C ATOM 269 CD GLN A 19 -11.709 13.080 7.620 1.00 0.00 C ATOM 270 OE1 GLN A 19 -12.580 13.896 7.326 1.00 0.00 O ATOM 271 NE2 GLN A 19 -11.602 12.564 8.827 1.00 0.00 N ATOM 0 H GLN A 19 -9.421 14.235 4.543 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.661 11.438 4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.652 13.653 4.987 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.067 11.954 5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.375 11.610 6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.811 13.260 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.864 11.889 9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.257 12.839 9.559 1.00 0.00 H new ATOM 280 N SER A 20 -11.201 13.055 2.018 1.00 0.00 N ATOM 281 CA SER A 20 -11.895 12.843 0.756 1.00 0.00 C ATOM 282 C SER A 20 -11.033 12.062 -0.243 1.00 0.00 C ATOM 283 O SER A 20 -11.518 11.147 -0.921 1.00 0.00 O ATOM 284 CB SER A 20 -12.347 14.184 0.162 1.00 0.00 C ATOM 285 OG SER A 20 -11.245 15.042 -0.083 1.00 0.00 O ATOM 0 H SER A 20 -10.995 14.030 2.238 1.00 0.00 H new ATOM 0 HA SER A 20 -12.778 12.238 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.886 14.008 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.043 14.670 0.846 1.00 0.00 H new ATOM 0 HG SER A 20 -10.509 14.810 0.521 1.00 0.00 H new ATOM 291 N CYS A 21 -9.754 12.393 -0.304 1.00 0.00 N ATOM 292 CA CYS A 21 -8.851 11.725 -1.219 1.00 0.00 C ATOM 293 C CYS A 21 -8.494 10.321 -0.749 1.00 0.00 C ATOM 294 O CYS A 21 -8.420 9.393 -1.560 1.00 0.00 O ATOM 295 CB CYS A 21 -7.594 12.557 -1.444 1.00 0.00 C ATOM 296 SG CYS A 21 -6.720 13.007 0.061 1.00 0.00 S ATOM 0 H CYS A 21 -9.321 13.118 0.268 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.374 11.623 -2.170 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.916 12.000 -2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.867 13.468 -1.977 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.297 12.446 1.082 1.00 0.00 H new ATOM 302 N VAL A 22 -8.297 10.151 0.560 1.00 0.00 N ATOM 303 CA VAL A 22 -7.919 8.852 1.083 1.00 0.00 C ATOM 304 C VAL A 22 -9.068 7.864 0.945 1.00 0.00 C ATOM 305 O VAL A 22 -8.855 6.698 0.637 1.00 0.00 O ATOM 306 CB VAL A 22 -7.415 8.912 2.554 1.00 0.00 C ATOM 307 CG1 VAL A 22 -8.541 9.205 3.531 1.00 0.00 C ATOM 308 CG2 VAL A 22 -6.703 7.623 2.921 1.00 0.00 C ATOM 0 H VAL A 22 -8.393 10.886 1.260 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.078 8.506 0.482 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.707 9.738 2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.143 9.238 4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.993 10.166 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.296 8.421 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.356 7.680 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.391 6.784 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.849 7.478 2.259 1.00 0.00 H new ATOM 318 N LYS A 23 -10.291 8.342 1.153 1.00 0.00 N ATOM 319 CA LYS A 23 -11.462 7.501 0.978 1.00 0.00 C ATOM 320 C LYS A 23 -11.589 7.082 -0.474 1.00 0.00 C ATOM 321 O LYS A 23 -11.889 5.932 -0.775 1.00 0.00 O ATOM 322 CB LYS A 23 -12.733 8.227 1.418 1.00 0.00 C ATOM 323 CG LYS A 23 -12.854 8.431 2.922 1.00 0.00 C ATOM 324 CD LYS A 23 -14.056 9.301 3.262 1.00 0.00 C ATOM 325 CE LYS A 23 -15.363 8.625 2.877 1.00 0.00 C ATOM 326 NZ LYS A 23 -16.538 9.471 3.188 1.00 0.00 N ATOM 0 H LYS A 23 -10.493 9.300 1.440 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.338 6.616 1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.769 9.200 0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.598 7.663 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.949 7.464 3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.945 8.896 3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.059 9.518 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.973 10.256 2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.353 8.397 1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.450 7.676 3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.408 8.973 2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.563 9.668 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.469 10.367 2.664 1.00 0.00 H new ATOM 340 N SER A 24 -11.321 8.022 -1.372 1.00 0.00 N ATOM 341 CA SER A 24 -11.435 7.768 -2.794 1.00 0.00 C ATOM 342 C SER A 24 -10.472 6.669 -3.251 1.00 0.00 C ATOM 343 O SER A 24 -10.862 5.761 -3.988 1.00 0.00 O ATOM 344 CB SER A 24 -11.187 9.058 -3.573 1.00 0.00 C ATOM 345 OG SER A 24 -12.174 10.030 -3.261 1.00 0.00 O ATOM 0 H SER A 24 -11.023 8.968 -1.135 1.00 0.00 H new ATOM 0 HA SER A 24 -12.447 7.417 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.197 9.448 -3.335 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.199 8.851 -4.643 1.00 0.00 H new ATOM 0 HG SER A 24 -11.857 10.593 -2.524 1.00 0.00 H new ATOM 351 N ILE A 25 -9.230 6.732 -2.791 1.00 0.00 N ATOM 352 CA ILE A 25 -8.249 5.724 -3.160 1.00 0.00 C ATOM 353 C ILE A 25 -8.504 4.400 -2.429 1.00 0.00 C ATOM 354 O ILE A 25 -8.379 3.324 -3.020 1.00 0.00 O ATOM 355 CB ILE A 25 -6.785 6.206 -2.924 1.00 0.00 C ATOM 356 CG1 ILE A 25 -5.787 5.159 -3.429 1.00 0.00 C ATOM 357 CG2 ILE A 25 -6.532 6.531 -1.459 1.00 0.00 C ATOM 358 CD1 ILE A 25 -4.341 5.595 -3.350 1.00 0.00 C ATOM 0 H ILE A 25 -8.882 7.462 -2.169 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.368 5.555 -4.230 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.642 7.125 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.912 4.245 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.026 4.915 -4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.502 6.863 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.210 7.322 -1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.703 5.640 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.700 4.798 -3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.198 6.491 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.082 5.810 -2.313 1.00 0.00 H new ATOM 370 N GLU A 26 -8.899 4.489 -1.159 1.00 0.00 N ATOM 371 CA GLU A 26 -9.146 3.303 -0.345 1.00 0.00 C ATOM 372 C GLU A 26 -10.271 2.470 -0.928 1.00 0.00 C ATOM 373 O GLU A 26 -10.167 1.245 -1.023 1.00 0.00 O ATOM 374 CB GLU A 26 -9.496 3.697 1.087 1.00 0.00 C ATOM 375 CG GLU A 26 -9.728 2.512 2.006 1.00 0.00 C ATOM 376 CD GLU A 26 -10.125 2.928 3.396 1.00 0.00 C ATOM 377 OE1 GLU A 26 -11.340 3.071 3.652 1.00 0.00 O ATOM 378 OE2 GLU A 26 -9.238 3.111 4.246 1.00 0.00 O ATOM 0 H GLU A 26 -9.054 5.372 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.232 2.709 -0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.690 4.309 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.392 4.317 1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.507 1.877 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.819 1.912 2.056 1.00 0.00 H new ATOM 385 N ASP A 27 -11.343 3.139 -1.333 1.00 0.00 N ATOM 386 CA ASP A 27 -12.496 2.451 -1.899 1.00 0.00 C ATOM 387 C ASP A 27 -12.105 1.699 -3.147 1.00 0.00 C ATOM 388 O ASP A 27 -12.475 0.546 -3.326 1.00 0.00 O ATOM 389 CB ASP A 27 -13.602 3.447 -2.256 1.00 0.00 C ATOM 390 CG ASP A 27 -14.277 4.063 -1.053 1.00 0.00 C ATOM 391 OD1 ASP A 27 -14.218 3.472 0.045 1.00 0.00 O ATOM 392 OD2 ASP A 27 -14.883 5.148 -1.200 1.00 0.00 O ATOM 0 H ASP A 27 -11.438 4.153 -1.280 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.863 1.752 -1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.179 4.242 -2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -14.353 2.941 -2.863 1.00 0.00 H new ATOM 397 N ARG A 28 -11.325 2.347 -3.993 1.00 0.00 N ATOM 398 CA ARG A 28 -10.917 1.748 -5.248 1.00 0.00 C ATOM 399 C ARG A 28 -10.028 0.530 -5.014 1.00 0.00 C ATOM 400 O ARG A 28 -10.244 -0.524 -5.599 1.00 0.00 O ATOM 401 CB ARG A 28 -10.163 2.766 -6.087 1.00 0.00 C ATOM 402 CG ARG A 28 -11.004 3.945 -6.552 1.00 0.00 C ATOM 403 CD ARG A 28 -10.175 4.871 -7.410 1.00 0.00 C ATOM 404 NE ARG A 28 -10.886 6.076 -7.817 1.00 0.00 N ATOM 405 CZ ARG A 28 -10.373 6.974 -8.663 1.00 0.00 C ATOM 406 NH1 ARG A 28 -9.244 6.710 -9.299 1.00 0.00 N ATOM 407 NH2 ARG A 28 -11.000 8.110 -8.895 1.00 0.00 N ATOM 0 H ARG A 28 -10.962 3.287 -3.833 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.816 1.427 -5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.320 3.143 -5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.750 2.263 -6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.864 3.587 -7.117 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.392 4.487 -5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.277 5.156 -6.861 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.848 4.333 -8.300 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.819 6.242 -7.439 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.767 5.822 -9.143 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.851 7.394 -9.945 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.884 8.309 -8.427 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.601 8.790 -9.542 1.00 0.00 H new ATOM 421 N ILE A 29 -9.053 0.675 -4.121 1.00 0.00 N ATOM 422 CA ILE A 29 -8.116 -0.405 -3.833 1.00 0.00 C ATOM 423 C ILE A 29 -8.825 -1.587 -3.176 1.00 0.00 C ATOM 424 O ILE A 29 -8.611 -2.734 -3.549 1.00 0.00 O ATOM 425 CB ILE A 29 -6.946 0.068 -2.929 1.00 0.00 C ATOM 426 CG1 ILE A 29 -6.105 1.118 -3.652 1.00 0.00 C ATOM 427 CG2 ILE A 29 -6.065 -1.113 -2.537 1.00 0.00 C ATOM 428 CD1 ILE A 29 -5.059 1.768 -2.771 1.00 0.00 C ATOM 0 H ILE A 29 -8.892 1.528 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.702 -0.723 -4.790 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.369 0.510 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.611 0.652 -4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.765 1.890 -4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.250 -0.764 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.660 -1.846 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.655 -1.575 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.500 2.502 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.547 2.264 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.376 1.006 -2.395 1.00 0.00 H new ATOM 440 N SER A 30 -9.681 -1.291 -2.206 1.00 0.00 N ATOM 441 CA SER A 30 -10.409 -2.326 -1.484 1.00 0.00 C ATOM 442 C SER A 30 -11.362 -3.102 -2.398 1.00 0.00 C ATOM 443 O SER A 30 -11.578 -4.306 -2.210 1.00 0.00 O ATOM 444 CB SER A 30 -11.147 -1.726 -0.281 1.00 0.00 C ATOM 445 OG SER A 30 -12.059 -0.722 -0.687 1.00 0.00 O ATOM 0 H SER A 30 -9.888 -0.340 -1.901 1.00 0.00 H new ATOM 0 HA SER A 30 -9.679 -3.045 -1.112 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.682 -2.513 0.250 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.425 -1.304 0.418 1.00 0.00 H new ATOM 0 HG SER A 30 -11.568 0.100 -0.897 1.00 0.00 H new ATOM 451 N ASN A 31 -11.943 -2.413 -3.376 1.00 0.00 N ATOM 452 CA ASN A 31 -12.831 -3.062 -4.337 1.00 0.00 C ATOM 453 C ASN A 31 -12.038 -3.945 -5.294 1.00 0.00 C ATOM 454 O ASN A 31 -12.558 -4.927 -5.836 1.00 0.00 O ATOM 455 CB ASN A 31 -13.660 -2.031 -5.114 1.00 0.00 C ATOM 456 CG ASN A 31 -14.706 -1.355 -4.242 1.00 0.00 C ATOM 457 OD1 ASN A 31 -15.145 -1.909 -3.232 1.00 0.00 O ATOM 458 ND2 ASN A 31 -15.115 -0.162 -4.627 1.00 0.00 N ATOM 0 H ASN A 31 -11.817 -1.412 -3.524 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.522 -3.693 -3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.996 -1.275 -5.532 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.152 -2.522 -5.953 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.819 0.336 -4.083 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.727 0.263 -5.469 1.00 0.00 H new ATOM 465 N LEU A 32 -10.778 -3.596 -5.499 1.00 0.00 N ATOM 466 CA LEU A 32 -9.904 -4.375 -6.355 1.00 0.00 C ATOM 467 C LEU A 32 -9.317 -5.553 -5.589 1.00 0.00 C ATOM 468 O LEU A 32 -9.013 -5.450 -4.401 1.00 0.00 O ATOM 469 CB LEU A 32 -8.773 -3.506 -6.923 1.00 0.00 C ATOM 470 CG LEU A 32 -9.206 -2.314 -7.781 1.00 0.00 C ATOM 471 CD1 LEU A 32 -7.995 -1.511 -8.228 1.00 0.00 C ATOM 472 CD2 LEU A 32 -10.011 -2.780 -8.984 1.00 0.00 C ATOM 0 H LEU A 32 -10.339 -2.775 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.500 -4.753 -7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.177 -3.131 -6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.120 -4.141 -7.522 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.842 -1.670 -7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.322 -0.668 -8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.460 -1.141 -7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.333 -2.147 -8.815 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.308 -1.917 -9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.402 -3.448 -9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.901 -3.309 -8.643 1.00 0.00 H new ATOM 484 N LYS A 33 -9.188 -6.671 -6.260 1.00 0.00 N ATOM 485 CA LYS A 33 -8.602 -7.851 -5.665 1.00 0.00 C ATOM 486 C LYS A 33 -7.090 -7.691 -5.613 1.00 0.00 C ATOM 487 O LYS A 33 -6.497 -7.146 -6.539 1.00 0.00 O ATOM 488 CB LYS A 33 -8.977 -9.102 -6.470 1.00 0.00 C ATOM 489 CG LYS A 33 -8.488 -10.404 -5.850 1.00 0.00 C ATOM 490 CD LYS A 33 -8.916 -11.606 -6.673 1.00 0.00 C ATOM 491 CE LYS A 33 -8.495 -12.913 -6.017 1.00 0.00 C ATOM 492 NZ LYS A 33 -7.020 -13.027 -5.885 1.00 0.00 N ATOM 0 H LYS A 33 -9.484 -6.791 -7.229 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.988 -7.970 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.061 -9.145 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.565 -9.012 -7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.401 -10.385 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.881 -10.496 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.999 -11.594 -6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.478 -11.540 -7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.953 -12.986 -5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.871 -13.750 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.772 -13.989 -5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.573 -12.832 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.680 -12.340 -5.182 1.00 0.00 H new ATOM 506 N GLY A 34 -6.475 -8.147 -4.535 1.00 0.00 N ATOM 507 CA GLY A 34 -5.033 -8.046 -4.414 1.00 0.00 C ATOM 508 C GLY A 34 -4.601 -7.159 -3.273 1.00 0.00 C ATOM 509 O GLY A 34 -3.412 -7.087 -2.951 1.00 0.00 O ATOM 0 H GLY A 34 -6.944 -8.585 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.615 -9.042 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.621 -7.658 -5.346 1.00 0.00 H new ATOM 513 N ILE A 35 -5.555 -6.478 -2.659 1.00 0.00 N ATOM 514 CA ILE A 35 -5.264 -5.662 -1.497 1.00 0.00 C ATOM 515 C ILE A 35 -5.054 -6.555 -0.281 1.00 0.00 C ATOM 516 O ILE A 35 -5.984 -7.208 0.195 1.00 0.00 O ATOM 517 CB ILE A 35 -6.396 -4.630 -1.199 1.00 0.00 C ATOM 518 CG1 ILE A 35 -6.123 -3.907 0.138 1.00 0.00 C ATOM 519 CG2 ILE A 35 -7.771 -5.297 -1.198 1.00 0.00 C ATOM 520 CD1 ILE A 35 -7.136 -2.832 0.489 1.00 0.00 C ATOM 0 H ILE A 35 -6.534 -6.475 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.356 -5.100 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.399 -3.887 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.104 -4.646 0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.132 -3.455 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.537 -4.551 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.959 -5.745 -2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.799 -6.072 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.868 -2.377 1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.141 -2.069 -0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.128 -3.278 0.566 1.00 0.00 H new ATOM 532 N ILE A 36 -3.834 -6.633 0.188 1.00 0.00 N ATOM 533 CA ILE A 36 -3.553 -7.437 1.351 1.00 0.00 C ATOM 534 C ILE A 36 -3.837 -6.647 2.619 1.00 0.00 C ATOM 535 O ILE A 36 -4.560 -7.111 3.498 1.00 0.00 O ATOM 536 CB ILE A 36 -2.106 -7.968 1.345 1.00 0.00 C ATOM 537 CG1 ILE A 36 -1.889 -8.858 0.117 1.00 0.00 C ATOM 538 CG2 ILE A 36 -1.815 -8.745 2.624 1.00 0.00 C ATOM 539 CD1 ILE A 36 -0.454 -9.277 -0.090 1.00 0.00 C ATOM 0 H ILE A 36 -3.027 -6.155 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.212 -8.304 1.324 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.419 -7.123 1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.507 -9.750 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.233 -8.326 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.789 -9.112 2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.947 -8.090 3.485 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.500 -9.589 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.383 -9.904 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.168 -8.392 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.110 -9.838 0.779 1.00 0.00 H new ATOM 551 N SER A 37 -3.282 -5.446 2.705 1.00 0.00 N ATOM 552 CA SER A 37 -3.530 -4.588 3.846 1.00 0.00 C ATOM 553 C SER A 37 -3.203 -3.136 3.505 1.00 0.00 C ATOM 554 O SER A 37 -2.282 -2.861 2.723 1.00 0.00 O ATOM 555 CB SER A 37 -2.722 -5.055 5.067 1.00 0.00 C ATOM 556 OG SER A 37 -3.039 -4.288 6.219 1.00 0.00 O ATOM 0 H SER A 37 -2.661 -5.049 2.000 1.00 0.00 H new ATOM 0 HA SER A 37 -4.589 -4.652 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.927 -6.108 5.261 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.656 -4.972 4.854 1.00 0.00 H new ATOM 0 HG SER A 37 -2.512 -4.608 6.980 1.00 0.00 H new ATOM 562 N MET A 38 -3.969 -2.223 4.079 1.00 0.00 N ATOM 563 CA MET A 38 -3.782 -0.797 3.873 1.00 0.00 C ATOM 564 C MET A 38 -3.886 -0.058 5.202 1.00 0.00 C ATOM 565 O MET A 38 -4.805 -0.298 5.984 1.00 0.00 O ATOM 566 CB MET A 38 -4.830 -0.262 2.885 1.00 0.00 C ATOM 567 CG MET A 38 -4.752 1.241 2.643 1.00 0.00 C ATOM 568 SD MET A 38 -5.933 1.806 1.402 1.00 0.00 S ATOM 569 CE MET A 38 -5.583 3.563 1.378 1.00 0.00 C ATOM 0 H MET A 38 -4.742 -2.452 4.704 1.00 0.00 H new ATOM 0 HA MET A 38 -2.790 -0.629 3.455 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.712 -0.778 1.932 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.824 -0.507 3.259 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.936 1.766 3.580 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.743 1.502 2.324 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.685 3.940 0.361 1.00 0.00 H new ATOM 0 HE2 MET A 38 -6.285 4.083 2.030 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.566 3.736 1.729 1.00 0.00 H new ATOM 579 N LYS A 39 -2.938 0.818 5.463 1.00 0.00 N ATOM 580 CA LYS A 39 -2.932 1.604 6.684 1.00 0.00 C ATOM 581 C LYS A 39 -2.728 3.073 6.356 1.00 0.00 C ATOM 582 O LYS A 39 -1.820 3.426 5.606 1.00 0.00 O ATOM 583 CB LYS A 39 -1.834 1.111 7.633 1.00 0.00 C ATOM 584 CG LYS A 39 -1.778 1.861 8.954 1.00 0.00 C ATOM 585 CD LYS A 39 -0.709 1.293 9.867 1.00 0.00 C ATOM 586 CE LYS A 39 -0.653 2.044 11.186 1.00 0.00 C ATOM 587 NZ LYS A 39 0.360 1.474 12.104 1.00 0.00 N ATOM 0 H LYS A 39 -2.153 1.006 4.840 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.895 1.486 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.991 0.051 7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.869 1.201 7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.576 2.916 8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.748 1.805 9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.911 0.239 10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.261 1.349 9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.423 3.092 10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.633 2.014 11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.367 2.015 12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.127 0.481 12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.299 1.526 11.660 1.00 0.00 H new ATOM 601 N VAL A 40 -3.564 3.924 6.912 1.00 0.00 N ATOM 602 CA VAL A 40 -3.480 5.345 6.644 1.00 0.00 C ATOM 603 C VAL A 40 -2.853 6.069 7.821 1.00 0.00 C ATOM 604 O VAL A 40 -3.364 6.014 8.942 1.00 0.00 O ATOM 605 CB VAL A 40 -4.878 5.944 6.370 1.00 0.00 C ATOM 606 CG1 VAL A 40 -4.784 7.437 6.083 1.00 0.00 C ATOM 607 CG2 VAL A 40 -5.559 5.210 5.224 1.00 0.00 C ATOM 0 H VAL A 40 -4.311 3.657 7.553 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.859 5.477 5.758 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.486 5.815 7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.781 7.835 5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.348 7.946 6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.156 7.600 5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.542 5.646 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.953 5.301 4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.670 4.157 5.482 1.00 0.00 H new ATOM 617 N SER A 41 -1.744 6.734 7.574 1.00 0.00 N ATOM 618 CA SER A 41 -1.078 7.476 8.609 1.00 0.00 C ATOM 619 C SER A 41 -0.997 8.955 8.243 1.00 0.00 C ATOM 620 O SER A 41 -0.097 9.392 7.513 1.00 0.00 O ATOM 621 CB SER A 41 0.303 6.888 8.871 1.00 0.00 C ATOM 622 OG SER A 41 0.192 5.524 9.249 1.00 0.00 O ATOM 0 H SER A 41 -1.289 6.772 6.662 1.00 0.00 H new ATOM 0 HA SER A 41 -1.657 7.398 9.529 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.919 6.976 7.976 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.803 7.452 9.659 1.00 0.00 H new ATOM 0 HG SER A 41 1.085 5.156 9.413 1.00 0.00 H new ATOM 628 N LEU A 42 -1.946 9.714 8.759 1.00 0.00 N ATOM 629 CA LEU A 42 -2.046 11.138 8.494 1.00 0.00 C ATOM 630 C LEU A 42 -0.846 11.887 9.048 1.00 0.00 C ATOM 631 O LEU A 42 -0.384 12.856 8.452 1.00 0.00 O ATOM 632 CB LEU A 42 -3.347 11.698 9.064 1.00 0.00 C ATOM 633 CG LEU A 42 -4.630 11.187 8.400 1.00 0.00 C ATOM 634 CD1 LEU A 42 -5.852 11.712 9.125 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.671 11.581 6.929 1.00 0.00 C ATOM 0 H LEU A 42 -2.674 9.358 9.378 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.054 11.280 7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.389 11.461 10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.323 12.784 8.980 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.634 10.099 8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.753 11.338 8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.833 11.375 10.161 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.851 12.802 9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.590 11.208 6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.639 12.667 6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.813 11.150 6.413 1.00 0.00 H new ATOM 647 N GLU A 43 -0.343 11.429 10.190 1.00 0.00 N ATOM 648 CA GLU A 43 0.809 12.052 10.826 1.00 0.00 C ATOM 649 C GLU A 43 2.031 11.975 9.914 1.00 0.00 C ATOM 650 O GLU A 43 2.814 12.922 9.824 1.00 0.00 O ATOM 651 CB GLU A 43 1.103 11.380 12.163 1.00 0.00 C ATOM 652 CG GLU A 43 0.028 11.615 13.207 1.00 0.00 C ATOM 653 CD GLU A 43 0.361 10.994 14.541 1.00 0.00 C ATOM 654 OE1 GLU A 43 0.110 9.788 14.724 1.00 0.00 O ATOM 655 OE2 GLU A 43 0.877 11.714 15.418 1.00 0.00 O ATOM 0 H GLU A 43 -0.718 10.626 10.694 1.00 0.00 H new ATOM 0 HA GLU A 43 0.578 13.102 11.006 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.216 10.308 12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.055 11.748 12.544 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.117 12.687 13.337 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.916 11.207 12.847 1.00 0.00 H new ATOM 662 N GLN A 44 2.188 10.840 9.241 1.00 0.00 N ATOM 663 CA GLN A 44 3.272 10.667 8.284 1.00 0.00 C ATOM 664 C GLN A 44 2.949 11.396 6.990 1.00 0.00 C ATOM 665 O GLN A 44 3.842 11.740 6.215 1.00 0.00 O ATOM 666 CB GLN A 44 3.518 9.186 7.984 1.00 0.00 C ATOM 667 CG GLN A 44 4.084 8.400 9.150 1.00 0.00 C ATOM 668 CD GLN A 44 4.207 6.920 8.849 1.00 0.00 C ATOM 669 OE1 GLN A 44 3.429 6.361 8.075 1.00 0.00 O ATOM 670 NE2 GLN A 44 5.190 6.279 9.446 1.00 0.00 N ATOM 0 H GLN A 44 1.579 10.028 9.341 1.00 0.00 H new ATOM 0 HA GLN A 44 4.176 11.086 8.727 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.578 8.729 7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.204 9.107 7.140 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.065 8.797 9.409 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.444 8.538 10.021 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.813 6.778 10.081 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.328 5.283 9.274 1.00 0.00 H new ATOM 679 N GLY A 45 1.662 11.627 6.763 1.00 0.00 N ATOM 680 CA GLY A 45 1.228 12.276 5.547 1.00 0.00 C ATOM 681 C GLY A 45 1.217 11.312 4.387 1.00 0.00 C ATOM 682 O GLY A 45 1.267 11.716 3.226 1.00 0.00 O ATOM 0 H GLY A 45 0.910 11.374 7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.229 12.689 5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.890 13.112 5.322 1.00 0.00 H new ATOM 686 N SER A 46 1.148 10.028 4.702 1.00 0.00 N ATOM 687 CA SER A 46 1.194 9.001 3.689 1.00 0.00 C ATOM 688 C SER A 46 0.393 7.776 4.106 1.00 0.00 C ATOM 689 O SER A 46 0.037 7.616 5.278 1.00 0.00 O ATOM 690 CB SER A 46 2.653 8.614 3.402 1.00 0.00 C ATOM 691 OG SER A 46 3.283 8.065 4.555 1.00 0.00 O ATOM 0 H SER A 46 1.060 9.678 5.656 1.00 0.00 H new ATOM 0 HA SER A 46 0.743 9.399 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.685 7.889 2.589 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.205 9.493 3.068 1.00 0.00 H new ATOM 0 HG SER A 46 4.209 7.827 4.340 1.00 0.00 H new ATOM 697 N ALA A 47 0.114 6.920 3.149 1.00 0.00 N ATOM 698 CA ALA A 47 -0.603 5.698 3.407 1.00 0.00 C ATOM 699 C ALA A 47 0.284 4.518 3.071 1.00 0.00 C ATOM 700 O ALA A 47 0.981 4.524 2.059 1.00 0.00 O ATOM 701 CB ALA A 47 -1.890 5.651 2.594 1.00 0.00 C ATOM 0 H ALA A 47 0.378 7.053 2.173 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.872 5.655 4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.418 4.720 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.523 6.496 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.651 5.703 1.532 1.00 0.00 H new ATOM 707 N THR A 48 0.265 3.521 3.919 1.00 0.00 N ATOM 708 CA THR A 48 1.108 2.366 3.752 1.00 0.00 C ATOM 709 C THR A 48 0.284 1.197 3.248 1.00 0.00 C ATOM 710 O THR A 48 -0.730 0.843 3.844 1.00 0.00 O ATOM 711 CB THR A 48 1.757 1.990 5.093 1.00 0.00 C ATOM 712 OG1 THR A 48 2.480 3.121 5.594 1.00 0.00 O ATOM 713 CG2 THR A 48 2.712 0.814 4.924 1.00 0.00 C ATOM 0 H THR A 48 -0.335 3.488 4.743 1.00 0.00 H new ATOM 0 HA THR A 48 1.888 2.601 3.028 1.00 0.00 H new ATOM 0 HB THR A 48 0.974 1.700 5.793 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.896 2.890 6.451 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.159 0.567 5.887 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.163 -0.049 4.546 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.498 1.082 4.218 1.00 0.00 H new ATOM 721 N VAL A 49 0.706 0.614 2.151 1.00 0.00 N ATOM 722 CA VAL A 49 -0.012 -0.500 1.573 1.00 0.00 C ATOM 723 C VAL A 49 0.912 -1.667 1.294 1.00 0.00 C ATOM 724 O VAL A 49 2.108 -1.483 1.041 1.00 0.00 O ATOM 725 CB VAL A 49 -0.730 -0.102 0.251 1.00 0.00 C ATOM 726 CG1 VAL A 49 -1.798 0.946 0.507 1.00 0.00 C ATOM 727 CG2 VAL A 49 0.272 0.401 -0.784 1.00 0.00 C ATOM 0 H VAL A 49 1.544 0.892 1.639 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.760 -0.796 2.308 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.214 -0.994 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.285 1.207 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.539 0.549 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.339 1.836 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.255 0.673 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.792 1.275 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.995 -0.385 -1.002 1.00 0.00 H new ATOM 737 N LYS A 50 0.359 -2.860 1.365 1.00 0.00 N ATOM 738 CA LYS A 50 1.074 -4.057 1.002 1.00 0.00 C ATOM 739 C LYS A 50 0.183 -4.866 0.076 1.00 0.00 C ATOM 740 O LYS A 50 -1.027 -5.015 0.329 1.00 0.00 O ATOM 741 CB LYS A 50 1.519 -4.851 2.245 1.00 0.00 C ATOM 742 CG LYS A 50 0.405 -5.529 3.019 1.00 0.00 C ATOM 743 CD LYS A 50 0.917 -6.098 4.341 1.00 0.00 C ATOM 744 CE LYS A 50 2.089 -7.062 4.144 1.00 0.00 C ATOM 745 NZ LYS A 50 1.720 -8.243 3.318 1.00 0.00 N ATOM 0 H LYS A 50 -0.599 -3.023 1.676 1.00 0.00 H new ATOM 0 HA LYS A 50 1.997 -3.804 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.235 -5.611 1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.046 -4.174 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.394 -4.813 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.024 -6.330 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.228 -5.279 4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.104 -6.617 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.915 -6.533 3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.445 -7.400 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.551 -8.857 3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.962 -8.774 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.389 -7.924 2.385 1.00 0.00 H new ATOM 759 N TYR A 51 0.762 -5.378 -0.986 1.00 0.00 N ATOM 760 CA TYR A 51 -0.018 -5.967 -2.062 1.00 0.00 C ATOM 761 C TYR A 51 0.799 -6.958 -2.881 1.00 0.00 C ATOM 762 O TYR A 51 2.012 -7.092 -2.686 1.00 0.00 O ATOM 763 CB TYR A 51 -0.484 -4.832 -2.982 1.00 0.00 C ATOM 764 CG TYR A 51 0.683 -4.043 -3.563 1.00 0.00 C ATOM 765 CD1 TYR A 51 1.218 -2.953 -2.882 1.00 0.00 C ATOM 766 CD2 TYR A 51 1.270 -4.410 -4.768 1.00 0.00 C ATOM 767 CE1 TYR A 51 2.296 -2.255 -3.388 1.00 0.00 C ATOM 768 CE2 TYR A 51 2.351 -3.722 -5.273 1.00 0.00 C ATOM 769 CZ TYR A 51 2.859 -2.647 -4.582 1.00 0.00 C ATOM 770 OH TYR A 51 3.944 -1.969 -5.082 1.00 0.00 O ATOM 0 H TYR A 51 1.771 -5.401 -1.132 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.859 -6.508 -1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.079 -5.247 -3.795 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.133 -4.158 -2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.782 -2.648 -1.942 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.871 -5.250 -5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.695 -1.407 -2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.798 -4.026 -6.208 1.00 0.00 H new ATOM 0 HH TYR A 51 4.220 -2.373 -5.931 1.00 0.00 H new ATOM 780 N VAL A 52 0.113 -7.670 -3.770 1.00 0.00 N ATOM 781 CA VAL A 52 0.760 -8.553 -4.730 1.00 0.00 C ATOM 782 C VAL A 52 0.972 -7.774 -6.042 1.00 0.00 C ATOM 783 O VAL A 52 0.001 -7.396 -6.704 1.00 0.00 O ATOM 784 CB VAL A 52 -0.095 -9.813 -5.015 1.00 0.00 C ATOM 785 CG1 VAL A 52 0.616 -10.737 -5.994 1.00 0.00 C ATOM 786 CG2 VAL A 52 -0.418 -10.548 -3.722 1.00 0.00 C ATOM 0 H VAL A 52 -0.904 -7.650 -3.844 1.00 0.00 H new ATOM 0 HA VAL A 52 1.711 -8.884 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.033 -9.492 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.002 -11.615 -6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.789 -10.210 -6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.571 -11.049 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.019 -11.430 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.509 -10.854 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.975 -9.888 -3.058 1.00 0.00 H new ATOM 796 N PRO A 53 2.244 -7.524 -6.422 1.00 0.00 N ATOM 797 CA PRO A 53 2.603 -6.692 -7.602 1.00 0.00 C ATOM 798 C PRO A 53 1.933 -7.110 -8.917 1.00 0.00 C ATOM 799 O PRO A 53 1.568 -6.258 -9.724 1.00 0.00 O ATOM 800 CB PRO A 53 4.117 -6.880 -7.701 1.00 0.00 C ATOM 801 CG PRO A 53 4.537 -7.154 -6.303 1.00 0.00 C ATOM 802 CD PRO A 53 3.451 -8.010 -5.722 1.00 0.00 C ATOM 0 HA PRO A 53 2.267 -5.664 -7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.374 -7.706 -8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.605 -5.989 -8.097 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.499 -7.666 -6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.652 -6.229 -5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.628 -9.069 -5.908 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.371 -7.885 -4.642 1.00 0.00 H new ATOM 810 N SER A 54 1.806 -8.400 -9.154 1.00 0.00 N ATOM 811 CA SER A 54 1.174 -8.868 -10.379 1.00 0.00 C ATOM 812 C SER A 54 -0.328 -8.565 -10.399 1.00 0.00 C ATOM 813 O SER A 54 -0.873 -8.135 -11.416 1.00 0.00 O ATOM 814 CB SER A 54 1.400 -10.358 -10.551 1.00 0.00 C ATOM 815 OG SER A 54 2.781 -10.653 -10.678 1.00 0.00 O ATOM 0 H SER A 54 2.126 -9.137 -8.526 1.00 0.00 H new ATOM 0 HA SER A 54 1.634 -8.331 -11.208 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.988 -10.893 -9.695 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.867 -10.710 -11.434 1.00 0.00 H new ATOM 0 HG SER A 54 2.900 -11.620 -10.786 1.00 0.00 H new ATOM 821 N VAL A 55 -0.980 -8.776 -9.264 1.00 0.00 N ATOM 822 CA VAL A 55 -2.422 -8.606 -9.168 1.00 0.00 C ATOM 823 C VAL A 55 -2.826 -7.126 -9.245 1.00 0.00 C ATOM 824 O VAL A 55 -3.784 -6.769 -9.938 1.00 0.00 O ATOM 825 CB VAL A 55 -2.980 -9.249 -7.878 1.00 0.00 C ATOM 826 CG1 VAL A 55 -4.476 -9.037 -7.772 1.00 0.00 C ATOM 827 CG2 VAL A 55 -2.648 -10.733 -7.835 1.00 0.00 C ATOM 0 H VAL A 55 -0.531 -9.066 -8.395 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.859 -9.119 -10.024 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.507 -8.763 -7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.845 -9.499 -6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.692 -7.969 -7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.970 -9.491 -8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.049 -11.169 -6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.091 -11.230 -8.698 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.566 -10.865 -7.856 1.00 0.00 H new ATOM 837 N VAL A 56 -2.093 -6.271 -8.540 1.00 0.00 N ATOM 838 CA VAL A 56 -2.370 -4.838 -8.563 1.00 0.00 C ATOM 839 C VAL A 56 -1.111 -4.052 -8.873 1.00 0.00 C ATOM 840 O VAL A 56 -0.007 -4.447 -8.497 1.00 0.00 O ATOM 841 CB VAL A 56 -2.982 -4.323 -7.231 1.00 0.00 C ATOM 842 CG1 VAL A 56 -4.352 -4.925 -6.994 1.00 0.00 C ATOM 843 CG2 VAL A 56 -2.065 -4.625 -6.062 1.00 0.00 C ATOM 0 H VAL A 56 -1.307 -6.542 -7.949 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.108 -4.683 -9.350 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.092 -3.242 -7.313 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.758 -4.548 -6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.017 -4.650 -7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.269 -6.011 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.515 -4.255 -5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.916 -5.702 -5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.104 -4.136 -6.218 1.00 0.00 H new ATOM 853 N CYS A 57 -1.283 -2.932 -9.527 1.00 0.00 N ATOM 854 CA CYS A 57 -0.170 -2.118 -9.937 1.00 0.00 C ATOM 855 C CYS A 57 0.010 -0.916 -9.023 1.00 0.00 C ATOM 856 O CYS A 57 -0.931 -0.162 -8.770 1.00 0.00 O ATOM 857 CB CYS A 57 -0.354 -1.675 -11.383 1.00 0.00 C ATOM 858 SG CYS A 57 0.928 -0.570 -12.002 1.00 0.00 S ATOM 0 H CYS A 57 -2.196 -2.560 -9.789 1.00 0.00 H new ATOM 0 HA CYS A 57 0.736 -2.720 -9.863 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.389 -2.560 -12.018 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.319 -1.177 -11.476 1.00 0.00 H new ATOM 0 HG CYS A 57 0.673 -0.260 -13.238 1.00 0.00 H new ATOM 864 N LEU A 58 1.228 -0.749 -8.535 1.00 0.00 N ATOM 865 CA LEU A 58 1.582 0.357 -7.659 1.00 0.00 C ATOM 866 C LEU A 58 1.376 1.689 -8.377 1.00 0.00 C ATOM 867 O LEU A 58 0.924 2.673 -7.779 1.00 0.00 O ATOM 868 CB LEU A 58 3.028 0.212 -7.187 1.00 0.00 C ATOM 869 CG LEU A 58 3.534 1.290 -6.227 1.00 0.00 C ATOM 870 CD1 LEU A 58 2.701 1.314 -4.952 1.00 0.00 C ATOM 871 CD2 LEU A 58 5.001 1.057 -5.900 1.00 0.00 C ATOM 0 H LEU A 58 2.004 -1.380 -8.736 1.00 0.00 H new ATOM 0 HA LEU A 58 0.931 0.338 -6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.135 -0.758 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.676 0.202 -8.064 1.00 0.00 H new ATOM 0 HG LEU A 58 3.434 2.259 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.079 2.088 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.661 1.526 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.766 0.345 -4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.349 1.831 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.119 0.080 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.588 1.093 -6.817 1.00 0.00 H new ATOM 883 N GLN A 59 1.702 1.711 -9.669 1.00 0.00 N ATOM 884 CA GLN A 59 1.534 2.907 -10.481 1.00 0.00 C ATOM 885 C GLN A 59 0.063 3.309 -10.498 1.00 0.00 C ATOM 886 O GLN A 59 -0.269 4.491 -10.407 1.00 0.00 O ATOM 887 CB GLN A 59 2.000 2.653 -11.914 1.00 0.00 C ATOM 888 CG GLN A 59 3.493 2.429 -12.063 1.00 0.00 C ATOM 889 CD GLN A 59 3.891 2.180 -13.507 1.00 0.00 C ATOM 890 OE1 GLN A 59 3.283 2.721 -14.434 1.00 0.00 O ATOM 891 NE2 GLN A 59 4.892 1.351 -13.708 1.00 0.00 N ATOM 0 H GLN A 59 2.084 0.911 -10.173 1.00 0.00 H new ATOM 0 HA GLN A 59 2.135 3.707 -10.049 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.475 1.781 -12.304 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.710 3.503 -12.532 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.029 3.299 -11.684 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.794 1.578 -11.452 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.368 0.925 -12.913 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.192 1.134 -14.659 1.00 0.00 H new ATOM 900 N GLN A 60 -0.818 2.307 -10.578 1.00 0.00 N ATOM 901 CA GLN A 60 -2.256 2.549 -10.580 1.00 0.00 C ATOM 902 C GLN A 60 -2.666 3.208 -9.290 1.00 0.00 C ATOM 903 O GLN A 60 -3.472 4.116 -9.288 1.00 0.00 O ATOM 904 CB GLN A 60 -3.038 1.247 -10.741 1.00 0.00 C ATOM 905 CG GLN A 60 -2.932 0.613 -12.108 1.00 0.00 C ATOM 906 CD GLN A 60 -3.568 -0.763 -12.154 1.00 0.00 C ATOM 907 OE1 GLN A 60 -3.600 -1.481 -11.153 1.00 0.00 O ATOM 908 NE2 GLN A 60 -4.070 -1.140 -13.308 1.00 0.00 N ATOM 0 H GLN A 60 -0.557 1.323 -10.642 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.482 3.200 -11.424 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.686 0.533 -9.996 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.089 1.441 -10.526 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.413 1.258 -12.844 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.882 0.535 -12.390 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.023 -0.515 -14.113 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.507 -2.057 -13.399 1.00 0.00 H new ATOM 917 N VAL A 61 -2.065 2.766 -8.200 1.00 0.00 N ATOM 918 CA VAL A 61 -2.383 3.289 -6.874 1.00 0.00 C ATOM 919 C VAL A 61 -2.117 4.792 -6.821 1.00 0.00 C ATOM 920 O VAL A 61 -2.960 5.573 -6.356 1.00 0.00 O ATOM 921 CB VAL A 61 -1.550 2.566 -5.779 1.00 0.00 C ATOM 922 CG1 VAL A 61 -1.722 3.227 -4.421 1.00 0.00 C ATOM 923 CG2 VAL A 61 -1.926 1.092 -5.709 1.00 0.00 C ATOM 0 H VAL A 61 -1.348 2.041 -8.203 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.440 3.106 -6.682 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.498 2.646 -6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.126 2.696 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.392 4.264 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.772 3.196 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.333 0.601 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.985 0.998 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.730 0.620 -6.672 1.00 0.00 H new ATOM 933 N CYS A 62 -0.966 5.192 -7.332 1.00 0.00 N ATOM 934 CA CYS A 62 -0.606 6.589 -7.399 1.00 0.00 C ATOM 935 C CYS A 62 -1.615 7.352 -8.266 1.00 0.00 C ATOM 936 O CYS A 62 -2.032 8.461 -7.926 1.00 0.00 O ATOM 937 CB CYS A 62 0.809 6.743 -7.960 1.00 0.00 C ATOM 938 SG CYS A 62 1.417 8.441 -7.985 1.00 0.00 S ATOM 0 H CYS A 62 -0.261 4.558 -7.709 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.626 7.008 -6.393 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.491 6.134 -7.366 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.830 6.347 -8.975 1.00 0.00 H new ATOM 0 HG CYS A 62 2.621 8.464 -8.474 1.00 0.00 H new ATOM 944 N HIS A 63 -1.997 6.747 -9.387 1.00 0.00 N ATOM 945 CA HIS A 63 -2.957 7.361 -10.309 1.00 0.00 C ATOM 946 C HIS A 63 -4.355 7.465 -9.705 1.00 0.00 C ATOM 947 O HIS A 63 -5.041 8.455 -9.912 1.00 0.00 O ATOM 948 CB HIS A 63 -3.021 6.613 -11.649 1.00 0.00 C ATOM 949 CG HIS A 63 -1.848 6.858 -12.552 1.00 0.00 C ATOM 950 ND1 HIS A 63 -1.741 7.974 -13.357 1.00 0.00 N ATOM 951 CD2 HIS A 63 -0.735 6.128 -12.785 1.00 0.00 C ATOM 952 CE1 HIS A 63 -0.612 7.913 -14.043 1.00 0.00 C ATOM 953 NE2 HIS A 63 0.013 6.804 -13.712 1.00 0.00 N ATOM 0 H HIS A 63 -1.658 5.831 -9.682 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.592 8.372 -10.493 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -3.095 5.544 -11.451 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.933 6.904 -12.171 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.482 5.184 -12.325 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.263 8.648 -14.753 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.911 6.497 -14.086 1.00 0.00 H new ATOM 961 N GLN A 64 -4.756 6.447 -8.937 1.00 0.00 N ATOM 962 CA GLN A 64 -6.111 6.387 -8.378 1.00 0.00 C ATOM 963 C GLN A 64 -6.377 7.575 -7.461 1.00 0.00 C ATOM 964 O GLN A 64 -7.458 8.155 -7.477 1.00 0.00 O ATOM 965 CB GLN A 64 -6.325 5.071 -7.601 1.00 0.00 C ATOM 966 CG GLN A 64 -6.258 3.817 -8.470 1.00 0.00 C ATOM 967 CD GLN A 64 -7.232 3.838 -9.627 1.00 0.00 C ATOM 968 OE1 GLN A 64 -6.914 4.334 -10.704 1.00 0.00 O ATOM 969 NE2 GLN A 64 -8.402 3.268 -9.432 1.00 0.00 N ATOM 0 H GLN A 64 -4.163 5.655 -8.688 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.813 6.424 -9.211 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.571 4.998 -6.817 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.296 5.107 -7.107 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.246 3.706 -8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.459 2.943 -7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.629 2.867 -8.522 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.082 3.227 -10.191 1.00 0.00 H new ATOM 978 N ILE A 65 -5.399 7.928 -6.657 1.00 0.00 N ATOM 979 CA ILE A 65 -5.538 9.085 -5.795 1.00 0.00 C ATOM 980 C ILE A 65 -5.219 10.375 -6.564 1.00 0.00 C ATOM 981 O ILE A 65 -5.811 11.428 -6.315 1.00 0.00 O ATOM 982 CB ILE A 65 -4.656 8.968 -4.524 1.00 0.00 C ATOM 983 CG1 ILE A 65 -4.897 10.152 -3.581 1.00 0.00 C ATOM 984 CG2 ILE A 65 -3.184 8.841 -4.885 1.00 0.00 C ATOM 985 CD1 ILE A 65 -4.238 9.994 -2.228 1.00 0.00 C ATOM 0 H ILE A 65 -4.508 7.438 -6.580 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.576 9.125 -5.466 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.944 8.058 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.526 11.062 -4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.970 10.281 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.591 8.761 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.034 7.950 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.870 9.721 -5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.452 10.869 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.627 9.102 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.160 9.896 -2.357 1.00 0.00 H new ATOM 997 N GLY A 66 -4.291 10.271 -7.506 1.00 0.00 N ATOM 998 CA GLY A 66 -3.881 11.417 -8.288 1.00 0.00 C ATOM 999 C GLY A 66 -4.985 12.001 -9.157 1.00 0.00 C ATOM 1000 O GLY A 66 -5.115 13.224 -9.242 1.00 0.00 O ATOM 0 H GLY A 66 -3.811 9.403 -7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.515 12.192 -7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.045 11.129 -8.926 1.00 0.00 H new ATOM 1004 N ASP A 67 -5.802 11.143 -9.794 1.00 0.00 N ATOM 1005 CA ASP A 67 -6.865 11.646 -10.689 1.00 0.00 C ATOM 1006 C ASP A 67 -7.998 12.268 -9.891 1.00 0.00 C ATOM 1007 O ASP A 67 -8.874 12.941 -10.447 1.00 0.00 O ATOM 1008 CB ASP A 67 -7.416 10.552 -11.632 1.00 0.00 C ATOM 1009 CG ASP A 67 -8.288 9.511 -10.943 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -9.495 9.786 -10.710 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -7.796 8.406 -10.678 1.00 0.00 O ATOM 0 H ASP A 67 -5.753 10.128 -9.712 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.406 12.412 -11.314 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.996 11.029 -12.423 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.578 10.047 -12.112 1.00 0.00 H new ATOM 1016 N MET A 68 -7.970 12.053 -8.588 1.00 0.00 N ATOM 1017 CA MET A 68 -8.936 12.649 -7.688 1.00 0.00 C ATOM 1018 C MET A 68 -8.754 14.161 -7.665 1.00 0.00 C ATOM 1019 O MET A 68 -9.701 14.911 -7.433 1.00 0.00 O ATOM 1020 CB MET A 68 -8.805 12.065 -6.277 1.00 0.00 C ATOM 1021 CG MET A 68 -9.836 12.593 -5.292 1.00 0.00 C ATOM 1022 SD MET A 68 -11.530 12.247 -5.795 1.00 0.00 S ATOM 1023 CE MET A 68 -12.437 13.066 -4.484 1.00 0.00 C ATOM 0 H MET A 68 -7.278 11.462 -8.127 1.00 0.00 H new ATOM 0 HA MET A 68 -9.938 12.419 -8.049 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.894 10.980 -6.334 1.00 0.00 H new ATOM 0 HB3 MET A 68 -7.808 12.283 -5.895 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.656 12.149 -4.313 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.708 13.670 -5.183 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.507 12.944 -4.651 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.166 12.626 -3.524 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.190 14.128 -4.479 1.00 0.00 H new ATOM 1033 N GLY A 69 -7.526 14.596 -7.911 1.00 0.00 N ATOM 1034 CA GLY A 69 -7.223 16.007 -7.899 1.00 0.00 C ATOM 1035 C GLY A 69 -6.242 16.359 -6.813 1.00 0.00 C ATOM 1036 O GLY A 69 -5.998 17.536 -6.539 1.00 0.00 O ATOM 0 H GLY A 69 -6.732 13.990 -8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.815 16.299 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.142 16.575 -7.756 1.00 0.00 H new ATOM 1040 N PHE A 70 -5.683 15.342 -6.189 1.00 0.00 N ATOM 1041 CA PHE A 70 -4.730 15.532 -5.118 1.00 0.00 C ATOM 1042 C PHE A 70 -3.392 14.947 -5.506 1.00 0.00 C ATOM 1043 O PHE A 70 -3.329 13.932 -6.203 1.00 0.00 O ATOM 1044 CB PHE A 70 -5.239 14.890 -3.831 1.00 0.00 C ATOM 1045 CG PHE A 70 -6.512 15.500 -3.331 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -6.486 16.584 -2.474 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -7.737 14.989 -3.722 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -7.658 17.146 -2.015 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -8.912 15.545 -3.267 1.00 0.00 C ATOM 1050 CZ PHE A 70 -8.872 16.623 -2.414 1.00 0.00 C ATOM 0 H PHE A 70 -5.876 14.365 -6.410 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.608 16.601 -4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.396 13.825 -4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.473 14.980 -3.060 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.538 16.995 -2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.772 14.143 -4.393 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.627 17.993 -1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.862 15.136 -3.579 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.792 17.061 -2.056 1.00 0.00 H new ATOM 1060 N GLU A 71 -2.332 15.584 -5.066 1.00 0.00 N ATOM 1061 CA GLU A 71 -0.998 15.149 -5.407 1.00 0.00 C ATOM 1062 C GLU A 71 -0.536 14.063 -4.458 1.00 0.00 C ATOM 1063 O GLU A 71 -0.682 14.182 -3.239 1.00 0.00 O ATOM 1064 CB GLU A 71 -0.032 16.330 -5.354 1.00 0.00 C ATOM 1065 CG GLU A 71 -0.408 17.467 -6.285 1.00 0.00 C ATOM 1066 CD GLU A 71 0.555 18.627 -6.206 1.00 0.00 C ATOM 1067 OE1 GLU A 71 0.735 19.187 -5.106 1.00 0.00 O ATOM 1068 OE2 GLU A 71 1.127 18.995 -7.244 1.00 0.00 O ATOM 0 H GLU A 71 -2.368 16.410 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.014 14.745 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.011 16.708 -4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.969 15.981 -5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.441 17.097 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.411 17.815 -6.040 1.00 0.00 H new ATOM 1075 N ALA A 72 0.014 13.010 -5.015 1.00 0.00 N ATOM 1076 CA ALA A 72 0.512 11.906 -4.232 1.00 0.00 C ATOM 1077 C ALA A 72 1.705 11.283 -4.920 1.00 0.00 C ATOM 1078 O ALA A 72 1.798 11.317 -6.152 1.00 0.00 O ATOM 1079 CB ALA A 72 -0.580 10.872 -4.033 1.00 0.00 C ATOM 0 H ALA A 72 0.128 12.895 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 72 0.823 12.276 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.193 10.043 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.422 11.328 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.911 10.501 -5.003 1.00 0.00 H new ATOM 1085 N SER A 73 2.620 10.720 -4.152 1.00 0.00 N ATOM 1086 CA SER A 73 3.788 10.098 -4.739 1.00 0.00 C ATOM 1087 C SER A 73 4.161 8.815 -4.017 1.00 0.00 C ATOM 1088 O SER A 73 3.788 8.603 -2.863 1.00 0.00 O ATOM 1089 CB SER A 73 4.968 11.075 -4.778 1.00 0.00 C ATOM 1090 OG SER A 73 5.339 11.490 -3.481 1.00 0.00 O ATOM 0 H SER A 73 2.577 10.681 -3.134 1.00 0.00 H new ATOM 0 HA SER A 73 3.537 9.831 -5.766 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.819 10.600 -5.267 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.701 11.946 -5.377 1.00 0.00 H new ATOM 0 HG SER A 73 6.313 11.593 -3.437 1.00 0.00 H new ATOM 1096 N ILE A 74 4.903 7.974 -4.706 1.00 0.00 N ATOM 1097 CA ILE A 74 5.301 6.678 -4.198 1.00 0.00 C ATOM 1098 C ILE A 74 6.636 6.761 -3.476 1.00 0.00 C ATOM 1099 O ILE A 74 7.645 7.183 -4.046 1.00 0.00 O ATOM 1100 CB ILE A 74 5.418 5.661 -5.356 1.00 0.00 C ATOM 1101 CG1 ILE A 74 4.065 5.490 -6.056 1.00 0.00 C ATOM 1102 CG2 ILE A 74 5.940 4.323 -4.853 1.00 0.00 C ATOM 1103 CD1 ILE A 74 4.141 4.690 -7.339 1.00 0.00 C ATOM 0 H ILE A 74 5.250 8.173 -5.644 1.00 0.00 H new ATOM 0 HA ILE A 74 4.536 6.349 -3.494 1.00 0.00 H new ATOM 0 HB ILE A 74 6.134 6.048 -6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.372 4.999 -5.373 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.653 6.475 -6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.013 3.624 -5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.925 4.461 -4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.256 3.924 -4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.146 4.611 -7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.808 5.190 -8.041 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.523 3.692 -7.124 1.00 0.00 H new ATOM 1115 N ALA A 75 6.628 6.356 -2.234 1.00 0.00 N ATOM 1116 CA ALA A 75 7.809 6.328 -1.409 1.00 0.00 C ATOM 1117 C ALA A 75 7.876 4.993 -0.701 1.00 0.00 C ATOM 1118 O ALA A 75 6.883 4.270 -0.648 1.00 0.00 O ATOM 1119 CB ALA A 75 7.787 7.473 -0.404 1.00 0.00 C ATOM 0 H ALA A 75 5.787 6.030 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 75 8.695 6.453 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.687 7.435 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.750 8.424 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.908 7.380 0.234 1.00 0.00 H new ATOM 1125 N GLU A 76 9.034 4.629 -0.222 1.00 0.00 N ATOM 1126 CA GLU A 76 9.175 3.381 0.493 1.00 0.00 C ATOM 1127 C GLU A 76 9.133 3.618 2.000 1.00 0.00 C ATOM 1128 O GLU A 76 8.032 3.553 2.573 1.00 0.00 O ATOM 1129 CB GLU A 76 10.450 2.648 0.070 1.00 0.00 C ATOM 1130 CG GLU A 76 11.684 3.526 0.026 1.00 0.00 C ATOM 1131 CD GLU A 76 12.901 2.781 -0.442 1.00 0.00 C ATOM 1132 OE1 GLU A 76 13.018 2.529 -1.658 1.00 0.00 O ATOM 1133 OE2 GLU A 76 13.752 2.441 0.399 1.00 0.00 O ATOM 1134 OXT GLU A 76 10.195 3.897 2.601 1.00 0.00 O ATOM 0 H GLU A 76 9.892 5.173 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 76 8.333 2.739 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.628 1.824 0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.294 2.210 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.502 4.371 -0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.871 3.935 1.019 1.00 0.00 H new