USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 528 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 Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -89:sc= -3.78! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.06! C(o=-3.1!,f=-3.2!) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.64! C(o=-12!,f=-1.6!) USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= -3.36 (180deg=-3.59) USER MOD Single : A 24 THR OG1 : rot -170:sc= -0.447 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -129:sc= -2.82 (180deg=-6.99!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -59:sc= -0.245 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.595 F(o=-2,f=-0.59) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -45:sc= 0.0495 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -177:sc= -0.15 (180deg=-0.155) USER MOD ----------------------------------------------------------------- ATOM 104 N CYS A 8 11.863 -1.358 9.642 1.00 0.00 N ATOM 105 CA CYS A 8 10.894 -1.304 8.512 1.00 0.00 C ATOM 106 C CYS A 8 10.597 -2.720 8.014 1.00 0.00 C ATOM 107 O CYS A 8 9.555 -2.979 7.450 1.00 0.00 O ATOM 108 CB CYS A 8 11.494 -0.479 7.372 1.00 0.00 C ATOM 109 SG CYS A 8 10.352 -0.456 5.965 1.00 0.00 S ATOM 0 HA CYS A 8 9.967 -0.843 8.853 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.689 0.539 7.711 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.451 -0.903 7.069 1.00 0.00 H new ATOM 114 N GLU A 9 11.498 -3.644 8.223 1.00 0.00 N ATOM 115 CA GLU A 9 11.240 -5.055 7.754 1.00 0.00 C ATOM 116 C GLU A 9 10.570 -5.850 8.876 1.00 0.00 C ATOM 117 O GLU A 9 9.890 -6.826 8.633 1.00 0.00 O ATOM 118 CB GLU A 9 12.547 -5.763 7.342 1.00 0.00 C ATOM 119 CG GLU A 9 13.195 -5.019 6.166 1.00 0.00 C ATOM 120 CD GLU A 9 14.672 -5.411 6.058 1.00 0.00 C ATOM 121 OE1 GLU A 9 14.938 -6.573 5.796 1.00 0.00 O ATOM 122 OE2 GLU A 9 15.509 -4.543 6.240 1.00 0.00 O ATOM 0 H GLU A 9 12.392 -3.495 8.691 1.00 0.00 H new ATOM 0 HA GLU A 9 10.589 -5.006 6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.235 -5.796 8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.339 -6.795 7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.676 -5.262 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.104 -3.942 6.310 1.00 0.00 H new ATOM 129 N PHE A 10 10.752 -5.446 10.103 1.00 0.00 N ATOM 130 CA PHE A 10 10.118 -6.189 11.229 1.00 0.00 C ATOM 131 C PHE A 10 8.625 -5.856 11.288 1.00 0.00 C ATOM 132 O PHE A 10 7.797 -6.714 11.517 1.00 0.00 O ATOM 133 CB PHE A 10 10.787 -5.785 12.548 1.00 0.00 C ATOM 134 CG PHE A 10 10.058 -6.430 13.706 1.00 0.00 C ATOM 135 CD1 PHE A 10 10.184 -7.805 13.932 1.00 0.00 C ATOM 136 CD2 PHE A 10 9.257 -5.652 14.553 1.00 0.00 C ATOM 137 CE1 PHE A 10 9.510 -8.405 15.004 1.00 0.00 C ATOM 138 CE2 PHE A 10 8.583 -6.252 15.624 1.00 0.00 C ATOM 139 CZ PHE A 10 8.710 -7.627 15.850 1.00 0.00 C ATOM 0 H PHE A 10 11.310 -4.637 10.374 1.00 0.00 H new ATOM 0 HA PHE A 10 10.242 -7.260 11.072 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.832 -6.093 12.546 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.775 -4.700 12.656 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.801 -8.405 13.280 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.160 -4.590 14.380 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.607 -9.466 15.178 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.965 -5.653 16.276 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.191 -8.088 16.677 1.00 0.00 H new ATOM 149 N LEU A 11 8.275 -4.616 11.086 1.00 0.00 N ATOM 150 CA LEU A 11 6.836 -4.229 11.134 1.00 0.00 C ATOM 151 C LEU A 11 6.172 -4.554 9.797 1.00 0.00 C ATOM 152 O LEU A 11 5.138 -5.191 9.746 1.00 0.00 O ATOM 153 CB LEU A 11 6.721 -2.727 11.401 1.00 0.00 C ATOM 154 CG LEU A 11 7.414 -2.377 12.725 1.00 0.00 C ATOM 155 CD1 LEU A 11 7.656 -0.867 12.789 1.00 0.00 C ATOM 156 CD2 LEU A 11 6.536 -2.801 13.913 1.00 0.00 C ATOM 0 H LEU A 11 8.923 -3.853 10.890 1.00 0.00 H new ATOM 0 HA LEU A 11 6.341 -4.783 11.931 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.176 -2.168 10.583 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.672 -2.435 11.442 1.00 0.00 H new ATOM 0 HG LEU A 11 8.365 -2.908 12.778 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.148 -0.617 13.729 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.290 -0.564 11.956 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.702 -0.343 12.728 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.039 -2.547 14.846 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.580 -2.280 13.863 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.366 -3.877 13.874 1.00 0.00 H new ATOM 168 N VAL A 12 6.748 -4.115 8.714 1.00 0.00 N ATOM 169 CA VAL A 12 6.140 -4.394 7.385 1.00 0.00 C ATOM 170 C VAL A 12 5.983 -5.904 7.194 1.00 0.00 C ATOM 171 O VAL A 12 5.157 -6.345 6.429 1.00 0.00 O ATOM 172 CB VAL A 12 7.031 -3.825 6.279 1.00 0.00 C ATOM 173 CG1 VAL A 12 6.381 -4.074 4.917 1.00 0.00 C ATOM 174 CG2 VAL A 12 7.211 -2.315 6.490 1.00 0.00 C ATOM 0 H VAL A 12 7.613 -3.575 8.692 1.00 0.00 H new ATOM 0 HA VAL A 12 5.159 -3.922 7.335 1.00 0.00 H new ATOM 0 HB VAL A 12 8.004 -4.316 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.017 -3.668 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.255 -5.146 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.407 -3.586 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.846 -1.911 5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.238 -1.825 6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.677 -2.136 7.459 1.00 0.00 H new ATOM 184 N LYS A 13 6.765 -6.695 7.888 1.00 0.00 N ATOM 185 CA LYS A 13 6.657 -8.180 7.750 1.00 0.00 C ATOM 186 C LYS A 13 5.598 -8.709 8.728 1.00 0.00 C ATOM 187 O LYS A 13 4.744 -9.494 8.365 1.00 0.00 O ATOM 188 CB LYS A 13 8.015 -8.807 8.060 1.00 0.00 C ATOM 189 CG LYS A 13 7.961 -10.360 7.937 1.00 0.00 C ATOM 190 CD LYS A 13 8.511 -11.023 9.211 1.00 0.00 C ATOM 191 CE LYS A 13 7.457 -10.972 10.320 1.00 0.00 C ATOM 192 NZ LYS A 13 7.946 -11.730 11.506 1.00 0.00 N ATOM 0 H LYS A 13 7.475 -6.374 8.546 1.00 0.00 H new ATOM 0 HA LYS A 13 6.361 -8.440 6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.766 -8.411 7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.325 -8.530 9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.933 -10.681 7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.542 -10.682 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.784 -12.058 9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.418 -10.512 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.253 -9.937 10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.519 -11.398 9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.230 -11.695 12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.119 -12.720 11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.831 -11.304 11.849 1.00 0.00 H new ATOM 206 N GLU A 14 5.644 -8.287 9.964 1.00 0.00 N ATOM 207 CA GLU A 14 4.632 -8.767 10.951 1.00 0.00 C ATOM 208 C GLU A 14 3.244 -8.312 10.496 1.00 0.00 C ATOM 209 O GLU A 14 2.297 -9.073 10.460 1.00 0.00 O ATOM 210 CB GLU A 14 4.945 -8.177 12.330 1.00 0.00 C ATOM 211 CG GLU A 14 4.131 -8.899 13.408 1.00 0.00 C ATOM 212 CD GLU A 14 2.658 -8.497 13.298 1.00 0.00 C ATOM 213 OE1 GLU A 14 2.353 -7.355 13.601 1.00 0.00 O ATOM 214 OE2 GLU A 14 1.862 -9.336 12.911 1.00 0.00 O ATOM 0 H GLU A 14 6.335 -7.633 10.332 1.00 0.00 H new ATOM 0 HA GLU A 14 4.659 -9.855 11.014 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.010 -8.273 12.542 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.713 -7.112 12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.233 -9.978 13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.514 -8.646 14.397 1.00 0.00 H new ATOM 221 N VAL A 15 3.111 -7.075 10.134 1.00 0.00 N ATOM 222 CA VAL A 15 1.788 -6.595 9.670 1.00 0.00 C ATOM 223 C VAL A 15 1.353 -7.463 8.490 1.00 0.00 C ATOM 224 O VAL A 15 0.244 -7.945 8.446 1.00 0.00 O ATOM 225 CB VAL A 15 1.882 -5.115 9.260 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.596 -4.978 7.911 1.00 0.00 C ATOM 227 CG2 VAL A 15 0.468 -4.525 9.165 1.00 0.00 C ATOM 0 H VAL A 15 3.855 -6.378 10.138 1.00 0.00 H new ATOM 0 HA VAL A 15 1.051 -6.672 10.469 1.00 0.00 H new ATOM 0 HB VAL A 15 2.456 -4.572 10.011 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.654 -3.925 7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.603 -5.389 7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.040 -5.523 7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.530 -3.476 8.875 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.106 -5.075 8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.025 -4.605 10.134 1.00 0.00 H new ATOM 237 N THR A 16 2.229 -7.683 7.547 1.00 0.00 N ATOM 238 CA THR A 16 1.875 -8.536 6.377 1.00 0.00 C ATOM 239 C THR A 16 1.289 -9.862 6.880 1.00 0.00 C ATOM 240 O THR A 16 0.249 -10.294 6.440 1.00 0.00 O ATOM 241 CB THR A 16 3.146 -8.810 5.557 1.00 0.00 C ATOM 242 OG1 THR A 16 4.251 -8.418 6.325 1.00 0.00 O ATOM 243 CG2 THR A 16 3.121 -8.013 4.254 1.00 0.00 C ATOM 0 H THR A 16 3.177 -7.307 7.537 1.00 0.00 H new ATOM 0 HA THR A 16 1.139 -8.029 5.753 1.00 0.00 H new ATOM 0 HB THR A 16 3.205 -9.870 5.310 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.448 -7.473 6.156 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.028 -8.218 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.250 -8.304 3.666 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.067 -6.948 4.480 1.00 0.00 H new ATOM 251 N LYS A 17 1.968 -10.514 7.791 1.00 0.00 N ATOM 252 CA LYS A 17 1.464 -11.820 8.312 1.00 0.00 C ATOM 253 C LYS A 17 -0.037 -11.716 8.593 1.00 0.00 C ATOM 254 O LYS A 17 -0.788 -12.637 8.341 1.00 0.00 O ATOM 255 CB LYS A 17 2.217 -12.183 9.600 1.00 0.00 C ATOM 256 CG LYS A 17 3.638 -12.676 9.266 1.00 0.00 C ATOM 257 CD LYS A 17 3.624 -14.178 8.952 1.00 0.00 C ATOM 258 CE LYS A 17 5.059 -14.664 8.740 1.00 0.00 C ATOM 259 NZ LYS A 17 5.041 -16.093 8.317 1.00 0.00 N ATOM 0 H LYS A 17 2.849 -10.198 8.196 1.00 0.00 H new ATOM 0 HA LYS A 17 1.633 -12.599 7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.271 -11.314 10.256 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.674 -12.957 10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.030 -12.123 8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.304 -12.480 10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.159 -14.728 9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.028 -14.369 8.060 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.552 -14.055 7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.632 -14.553 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.016 -16.425 8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.586 -16.668 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.509 -16.185 7.428 1.00 0.00 H new ATOM 273 N LEU A 18 -0.486 -10.595 9.098 1.00 0.00 N ATOM 274 CA LEU A 18 -1.947 -10.431 9.376 1.00 0.00 C ATOM 275 C LEU A 18 -2.623 -9.819 8.134 1.00 0.00 C ATOM 276 O LEU A 18 -3.694 -10.228 7.736 1.00 0.00 O ATOM 277 CB LEU A 18 -2.108 -9.560 10.656 1.00 0.00 C ATOM 278 CG LEU A 18 -2.598 -8.133 10.343 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.089 -8.157 9.921 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.410 -7.267 11.598 1.00 0.00 C ATOM 0 H LEU A 18 0.093 -9.788 9.330 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.437 -11.386 9.567 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.813 -10.042 11.333 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.152 -9.506 11.177 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.022 -7.716 9.517 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.422 -7.142 9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.205 -8.776 9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.690 -8.570 10.731 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.752 -6.252 11.394 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.989 -7.687 12.420 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.355 -7.246 11.871 1.00 0.00 H new ATOM 292 N ILE A 19 -2.001 -8.853 7.524 1.00 0.00 N ATOM 293 CA ILE A 19 -2.578 -8.204 6.313 1.00 0.00 C ATOM 294 C ILE A 19 -2.598 -9.217 5.162 1.00 0.00 C ATOM 295 O ILE A 19 -3.295 -9.036 4.183 1.00 0.00 O ATOM 296 CB ILE A 19 -1.662 -7.001 5.971 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.300 -5.679 6.417 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.340 -6.915 4.472 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.254 -4.553 6.362 1.00 0.00 C ATOM 0 H ILE A 19 -1.099 -8.477 7.818 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.600 -7.865 6.481 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.731 -7.166 6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.144 -5.436 5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.691 -5.776 7.430 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.696 -6.055 4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.830 -7.825 4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.265 -6.803 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.711 -3.616 6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.424 -4.795 7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.885 -4.449 5.342 1.00 0.00 H new ATOM 311 N ASP A 20 -1.808 -10.253 5.267 1.00 0.00 N ATOM 312 CA ASP A 20 -1.725 -11.276 4.182 1.00 0.00 C ATOM 313 C ASP A 20 -3.103 -11.497 3.540 1.00 0.00 C ATOM 314 O ASP A 20 -3.232 -11.540 2.334 1.00 0.00 O ATOM 315 CB ASP A 20 -1.224 -12.595 4.770 1.00 0.00 C ATOM 316 CG ASP A 20 -1.047 -13.621 3.649 1.00 0.00 C ATOM 317 OD1 ASP A 20 -0.717 -13.213 2.548 1.00 0.00 O ATOM 318 OD2 ASP A 20 -1.245 -14.796 3.910 1.00 0.00 O ATOM 0 H ASP A 20 -1.208 -10.437 6.071 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.035 -10.921 3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.277 -12.438 5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.933 -12.968 5.510 1.00 0.00 H new ATOM 323 N ASN A 21 -4.133 -11.627 4.340 1.00 0.00 N ATOM 324 CA ASN A 21 -5.496 -11.838 3.770 1.00 0.00 C ATOM 325 C ASN A 21 -6.566 -11.481 4.810 1.00 0.00 C ATOM 326 O ASN A 21 -7.571 -12.155 4.926 1.00 0.00 O ATOM 327 CB ASN A 21 -5.666 -13.305 3.371 1.00 0.00 C ATOM 328 CG ASN A 21 -4.795 -13.617 2.153 1.00 0.00 C ATOM 329 OD1 ASN A 21 -3.807 -14.315 2.262 1.00 0.00 O ATOM 330 ND2 ASN A 21 -5.122 -13.126 0.989 1.00 0.00 N ATOM 0 H ASN A 21 -4.087 -11.596 5.359 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.611 -11.198 2.895 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.388 -13.952 4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.712 -13.510 3.143 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.548 -13.328 0.171 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.952 -12.540 0.898 1.00 0.00 H new ATOM 337 N ASN A 22 -6.371 -10.434 5.567 1.00 0.00 N ATOM 338 CA ASN A 22 -7.395 -10.057 6.588 1.00 0.00 C ATOM 339 C ASN A 22 -8.512 -9.252 5.924 1.00 0.00 C ATOM 340 O ASN A 22 -9.667 -9.362 6.285 1.00 0.00 O ATOM 341 CB ASN A 22 -6.753 -9.212 7.692 1.00 0.00 C ATOM 342 CG ASN A 22 -6.228 -7.898 7.106 1.00 0.00 C ATOM 343 OD1 ASN A 22 -5.889 -7.844 5.847 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -6.127 -6.909 7.803 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.553 -9.826 5.524 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.807 -10.967 7.025 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.483 -9.005 8.474 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.936 -9.765 8.156 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.392 -6.950 8.787 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.778 -6.038 7.404 1.00 0.00 H new ATOM 351 N LYS A 23 -8.172 -8.440 4.955 1.00 0.00 N ATOM 352 CA LYS A 23 -9.202 -7.612 4.251 1.00 0.00 C ATOM 353 C LYS A 23 -9.054 -7.801 2.741 1.00 0.00 C ATOM 354 O LYS A 23 -7.979 -7.677 2.189 1.00 0.00 O ATOM 355 CB LYS A 23 -8.998 -6.137 4.628 1.00 0.00 C ATOM 356 CG LYS A 23 -7.648 -5.617 4.077 1.00 0.00 C ATOM 357 CD LYS A 23 -7.867 -4.874 2.745 1.00 0.00 C ATOM 358 CE LYS A 23 -6.581 -4.905 1.913 1.00 0.00 C ATOM 359 NZ LYS A 23 -6.782 -4.127 0.659 1.00 0.00 N ATOM 0 H LYS A 23 -7.218 -8.313 4.618 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.204 -7.922 4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.816 -5.537 4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.022 -6.026 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.184 -4.949 4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.962 -6.451 3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.681 -5.339 2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.161 -3.842 2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.754 -4.485 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.313 -5.935 1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.878 -4.047 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.476 -4.613 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.133 -3.176 0.893 1.00 0.00 H new ATOM 373 N THR A 24 -10.132 -8.107 2.067 1.00 0.00 N ATOM 374 CA THR A 24 -10.062 -8.313 0.589 1.00 0.00 C ATOM 375 C THR A 24 -10.239 -6.969 -0.126 1.00 0.00 C ATOM 376 O THR A 24 -10.200 -5.920 0.485 1.00 0.00 O ATOM 377 CB THR A 24 -11.169 -9.279 0.160 1.00 0.00 C ATOM 378 OG1 THR A 24 -12.395 -8.889 0.762 1.00 0.00 O ATOM 379 CG2 THR A 24 -10.805 -10.698 0.606 1.00 0.00 C ATOM 0 H THR A 24 -11.059 -8.223 2.476 1.00 0.00 H new ATOM 0 HA THR A 24 -9.092 -8.733 0.323 1.00 0.00 H new ATOM 0 HB THR A 24 -11.276 -9.256 -0.925 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.066 -9.588 0.619 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.592 -11.388 0.302 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.864 -10.994 0.144 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.700 -10.723 1.691 1.00 0.00 H new ATOM 387 N GLU A 25 -10.417 -6.994 -1.422 1.00 0.00 N ATOM 388 CA GLU A 25 -10.578 -5.718 -2.187 1.00 0.00 C ATOM 389 C GLU A 25 -12.055 -5.326 -2.270 1.00 0.00 C ATOM 390 O GLU A 25 -12.428 -4.452 -3.027 1.00 0.00 O ATOM 391 CB GLU A 25 -10.029 -5.904 -3.605 1.00 0.00 C ATOM 392 CG GLU A 25 -8.694 -6.656 -3.550 1.00 0.00 C ATOM 393 CD GLU A 25 -8.952 -8.148 -3.334 1.00 0.00 C ATOM 394 OE1 GLU A 25 -9.508 -8.770 -4.224 1.00 0.00 O ATOM 395 OE2 GLU A 25 -8.588 -8.645 -2.280 1.00 0.00 O ATOM 0 H GLU A 25 -10.458 -7.843 -1.985 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.030 -4.929 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.745 -6.458 -4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.891 -4.934 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.141 -6.503 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.077 -6.263 -2.742 1.00 0.00 H new ATOM 402 N LYS A 26 -12.901 -5.954 -1.501 1.00 0.00 N ATOM 403 CA LYS A 26 -14.345 -5.604 -1.544 1.00 0.00 C ATOM 404 C LYS A 26 -14.578 -4.435 -0.594 1.00 0.00 C ATOM 405 O LYS A 26 -15.293 -3.499 -0.898 1.00 0.00 O ATOM 406 CB LYS A 26 -15.176 -6.820 -1.110 1.00 0.00 C ATOM 407 CG LYS A 26 -14.526 -8.094 -1.639 1.00 0.00 C ATOM 408 CD LYS A 26 -14.363 -7.987 -3.156 1.00 0.00 C ATOM 409 CE LYS A 26 -13.974 -9.351 -3.710 1.00 0.00 C ATOM 410 NZ LYS A 26 -13.958 -9.300 -5.198 1.00 0.00 N ATOM 0 H LYS A 26 -12.653 -6.695 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.645 -5.323 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.244 -6.858 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.194 -6.733 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.555 -8.243 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.139 -8.960 -1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.293 -7.647 -3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.599 -7.249 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.992 -9.640 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.681 -10.108 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.692 -10.232 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.903 -9.043 -5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.267 -8.589 -5.514 1.00 0.00 H new ATOM 424 N GLU A 27 -13.958 -4.479 0.550 1.00 0.00 N ATOM 425 CA GLU A 27 -14.122 -3.371 1.519 1.00 0.00 C ATOM 426 C GLU A 27 -13.310 -2.169 1.035 1.00 0.00 C ATOM 427 O GLU A 27 -13.458 -1.067 1.525 1.00 0.00 O ATOM 428 CB GLU A 27 -13.616 -3.811 2.895 1.00 0.00 C ATOM 429 CG GLU A 27 -14.428 -5.013 3.382 1.00 0.00 C ATOM 430 CD GLU A 27 -15.868 -4.578 3.662 1.00 0.00 C ATOM 431 OE1 GLU A 27 -16.054 -3.735 4.523 1.00 0.00 O ATOM 432 OE2 GLU A 27 -16.759 -5.096 3.010 1.00 0.00 O ATOM 0 H GLU A 27 -13.345 -5.236 0.853 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.175 -3.101 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.559 -4.072 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.703 -2.989 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.415 -5.802 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.980 -5.426 4.286 1.00 0.00 H new ATOM 439 N ILE A 28 -12.446 -2.378 0.078 1.00 0.00 N ATOM 440 CA ILE A 28 -11.613 -1.265 -0.442 1.00 0.00 C ATOM 441 C ILE A 28 -12.378 -0.504 -1.531 1.00 0.00 C ATOM 442 O ILE A 28 -12.842 0.596 -1.304 1.00 0.00 O ATOM 443 CB ILE A 28 -10.334 -1.849 -1.032 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.514 -2.548 0.067 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.515 -0.733 -1.677 1.00 0.00 C ATOM 446 CD1 ILE A 28 -9.156 -1.578 1.199 1.00 0.00 C ATOM 0 H ILE A 28 -12.283 -3.281 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.373 -0.575 0.367 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.592 -2.587 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.083 -3.386 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.601 -2.960 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.601 -1.150 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.099 -0.264 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.260 0.013 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.577 -2.103 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.566 -0.754 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.070 -1.187 1.646 1.00 0.00 H new ATOM 458 N LEU A 29 -12.518 -1.069 -2.712 1.00 0.00 N ATOM 459 CA LEU A 29 -13.258 -0.355 -3.793 1.00 0.00 C ATOM 460 C LEU A 29 -14.555 0.214 -3.213 1.00 0.00 C ATOM 461 O LEU A 29 -15.053 1.228 -3.660 1.00 0.00 O ATOM 462 CB LEU A 29 -13.568 -1.333 -4.947 1.00 0.00 C ATOM 463 CG LEU A 29 -12.413 -1.342 -5.962 1.00 0.00 C ATOM 464 CD1 LEU A 29 -11.189 -2.034 -5.364 1.00 0.00 C ATOM 465 CD2 LEU A 29 -12.846 -2.080 -7.231 1.00 0.00 C ATOM 0 H LEU A 29 -12.153 -1.987 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.650 0.460 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.721 -2.337 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.494 -1.041 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.155 -0.312 -6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.378 -2.034 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.871 -1.501 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.443 -3.062 -5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.025 -2.084 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.115 -3.106 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -13.707 -1.576 -7.669 1.00 0.00 H new ATOM 477 N ASP A 30 -15.085 -0.408 -2.197 1.00 0.00 N ATOM 478 CA ASP A 30 -16.321 0.133 -1.576 1.00 0.00 C ATOM 479 C ASP A 30 -15.932 1.407 -0.830 1.00 0.00 C ATOM 480 O ASP A 30 -16.519 2.463 -1.005 1.00 0.00 O ATOM 481 CB ASP A 30 -16.899 -0.890 -0.594 1.00 0.00 C ATOM 482 CG ASP A 30 -17.476 -2.074 -1.373 1.00 0.00 C ATOM 483 OD1 ASP A 30 -16.905 -2.424 -2.393 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.480 -2.613 -0.935 1.00 0.00 O ATOM 0 H ASP A 30 -14.718 -1.261 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.076 0.344 -2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.122 -1.234 0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.676 -0.427 0.014 1.00 0.00 H new ATOM 489 N ALA A 31 -14.913 1.322 -0.016 1.00 0.00 N ATOM 490 CA ALA A 31 -14.451 2.525 0.724 1.00 0.00 C ATOM 491 C ALA A 31 -14.328 3.685 -0.254 1.00 0.00 C ATOM 492 O ALA A 31 -14.873 4.744 -0.039 1.00 0.00 O ATOM 493 CB ALA A 31 -13.093 2.250 1.359 1.00 0.00 C ATOM 0 H ALA A 31 -14.383 0.470 0.166 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.167 2.772 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.759 3.135 1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.178 1.412 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.370 2.006 0.581 1.00 0.00 H new ATOM 499 N PHE A 32 -13.628 3.494 -1.337 1.00 0.00 N ATOM 500 CA PHE A 32 -13.492 4.598 -2.325 1.00 0.00 C ATOM 501 C PHE A 32 -14.884 5.164 -2.630 1.00 0.00 C ATOM 502 O PHE A 32 -15.067 6.358 -2.720 1.00 0.00 O ATOM 503 CB PHE A 32 -12.833 4.072 -3.611 1.00 0.00 C ATOM 504 CG PHE A 32 -11.333 3.987 -3.421 1.00 0.00 C ATOM 505 CD1 PHE A 32 -10.538 5.121 -3.630 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.738 2.778 -3.037 1.00 0.00 C ATOM 507 CE1 PHE A 32 -9.152 5.046 -3.456 1.00 0.00 C ATOM 508 CE2 PHE A 32 -9.350 2.706 -2.864 1.00 0.00 C ATOM 509 CZ PHE A 32 -8.559 3.839 -3.073 1.00 0.00 C ATOM 0 H PHE A 32 -13.148 2.627 -1.579 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.862 5.387 -1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.233 3.089 -3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.066 4.732 -4.446 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.995 6.054 -3.926 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.349 1.902 -2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.540 5.921 -3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.891 1.774 -2.569 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.489 3.782 -2.939 1.00 0.00 H new ATOM 519 N ASP A 33 -15.877 4.327 -2.763 1.00 0.00 N ATOM 520 CA ASP A 33 -17.237 4.858 -3.038 1.00 0.00 C ATOM 521 C ASP A 33 -17.669 5.729 -1.862 1.00 0.00 C ATOM 522 O ASP A 33 -18.661 6.426 -1.922 1.00 0.00 O ATOM 523 CB ASP A 33 -18.223 3.699 -3.213 1.00 0.00 C ATOM 524 CG ASP A 33 -17.662 2.702 -4.229 1.00 0.00 C ATOM 525 OD1 ASP A 33 -16.508 2.847 -4.597 1.00 0.00 O ATOM 526 OD2 ASP A 33 -18.397 1.812 -4.623 1.00 0.00 O ATOM 0 H ASP A 33 -15.805 3.312 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.225 5.449 -3.954 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.392 3.204 -2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.188 4.076 -3.552 1.00 0.00 H new ATOM 531 N LYS A 34 -16.926 5.682 -0.782 1.00 0.00 N ATOM 532 CA LYS A 34 -17.273 6.498 0.427 1.00 0.00 C ATOM 533 C LYS A 34 -16.357 7.729 0.534 1.00 0.00 C ATOM 534 O LYS A 34 -16.805 8.851 0.413 1.00 0.00 O ATOM 535 CB LYS A 34 -17.101 5.639 1.686 1.00 0.00 C ATOM 536 CG LYS A 34 -17.858 4.317 1.515 1.00 0.00 C ATOM 537 CD LYS A 34 -17.605 3.401 2.733 1.00 0.00 C ATOM 538 CE LYS A 34 -17.748 1.926 2.335 1.00 0.00 C ATOM 539 NZ LYS A 34 -19.184 1.610 2.097 1.00 0.00 N ATOM 0 H LYS A 34 -16.088 5.109 -0.685 1.00 0.00 H new ATOM 0 HA LYS A 34 -18.306 6.832 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.043 5.444 1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.477 6.175 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.926 4.511 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.534 3.819 0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.606 3.581 3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.312 3.639 3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.167 1.724 1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.350 1.286 3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.279 0.610 1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.727 1.788 2.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.550 2.211 1.331 1.00 0.00 H new ATOM 553 N MET A 35 -15.086 7.536 0.781 1.00 0.00 N ATOM 554 CA MET A 35 -14.171 8.716 0.916 1.00 0.00 C ATOM 555 C MET A 35 -14.093 9.447 -0.422 1.00 0.00 C ATOM 556 O MET A 35 -14.218 10.648 -0.490 1.00 0.00 O ATOM 557 CB MET A 35 -12.742 8.289 1.320 1.00 0.00 C ATOM 558 CG MET A 35 -12.755 7.167 2.379 1.00 0.00 C ATOM 559 SD MET A 35 -11.300 6.108 2.142 1.00 0.00 S ATOM 560 CE MET A 35 -11.761 5.448 0.517 1.00 0.00 C ATOM 0 H MET A 35 -14.644 6.624 0.894 1.00 0.00 H new ATOM 0 HA MET A 35 -14.575 9.362 1.695 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.201 7.948 0.437 1.00 0.00 H new ATOM 0 HB3 MET A 35 -12.202 9.151 1.711 1.00 0.00 H new ATOM 0 HG2 MET A 35 -12.748 7.596 3.381 1.00 0.00 H new ATOM 0 HG3 MET A 35 -13.667 6.577 2.291 1.00 0.00 H new ATOM 0 HE1 MET A 35 -11.693 4.360 0.533 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.783 5.744 0.281 1.00 0.00 H new ATOM 0 HE3 MET A 35 -11.085 5.842 -0.241 1.00 0.00 H new ATOM 570 N CYS A 36 -13.878 8.729 -1.486 1.00 0.00 N ATOM 571 CA CYS A 36 -13.787 9.392 -2.812 1.00 0.00 C ATOM 572 C CYS A 36 -15.188 9.835 -3.239 1.00 0.00 C ATOM 573 O CYS A 36 -15.430 10.159 -4.385 1.00 0.00 O ATOM 574 CB CYS A 36 -13.195 8.412 -3.830 1.00 0.00 C ATOM 575 SG CYS A 36 -12.560 9.341 -5.245 1.00 0.00 S ATOM 0 H CYS A 36 -13.762 7.716 -1.495 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.139 10.267 -2.756 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.395 7.831 -3.371 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -13.956 7.703 -4.156 1.00 0.00 H new ATOM 580 N SER A 37 -16.111 9.863 -2.311 1.00 0.00 N ATOM 581 CA SER A 37 -17.499 10.295 -2.634 1.00 0.00 C ATOM 582 C SER A 37 -17.577 11.822 -2.553 1.00 0.00 C ATOM 583 O SER A 37 -18.144 12.477 -3.404 1.00 0.00 O ATOM 584 CB SER A 37 -18.468 9.688 -1.617 1.00 0.00 C ATOM 585 OG SER A 37 -19.794 9.771 -2.124 1.00 0.00 O ATOM 0 H SER A 37 -15.958 9.602 -1.337 1.00 0.00 H new ATOM 0 HA SER A 37 -17.765 9.962 -3.637 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.205 8.648 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.396 10.218 -0.667 1.00 0.00 H new ATOM 0 HG SER A 37 -20.417 9.381 -1.476 1.00 0.00 H new ATOM 591 N LYS A 38 -17.009 12.385 -1.520 1.00 0.00 N ATOM 592 CA LYS A 38 -17.039 13.866 -1.350 1.00 0.00 C ATOM 593 C LYS A 38 -16.009 14.515 -2.277 1.00 0.00 C ATOM 594 O LYS A 38 -16.044 15.706 -2.517 1.00 0.00 O ATOM 595 CB LYS A 38 -16.698 14.205 0.106 1.00 0.00 C ATOM 596 CG LYS A 38 -15.299 13.666 0.447 1.00 0.00 C ATOM 597 CD LYS A 38 -15.151 13.506 1.963 1.00 0.00 C ATOM 598 CE LYS A 38 -13.692 13.190 2.300 1.00 0.00 C ATOM 599 NZ LYS A 38 -13.511 13.192 3.779 1.00 0.00 N ATOM 0 H LYS A 38 -16.522 11.878 -0.781 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.031 14.243 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.729 15.284 0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.440 13.769 0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.141 12.706 -0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.536 14.347 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.463 14.420 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.800 12.707 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.415 12.218 1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.034 13.928 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.519 12.977 4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.759 14.128 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.128 12.472 4.205 1.00 0.00 H new ATOM 613 N LEU A 39 -15.089 13.749 -2.794 1.00 0.00 N ATOM 614 CA LEU A 39 -14.055 14.340 -3.698 1.00 0.00 C ATOM 615 C LEU A 39 -14.779 15.109 -4.830 1.00 0.00 C ATOM 616 O LEU A 39 -15.763 14.615 -5.345 1.00 0.00 O ATOM 617 CB LEU A 39 -13.183 13.200 -4.319 1.00 0.00 C ATOM 618 CG LEU A 39 -11.670 13.365 -3.973 1.00 0.00 C ATOM 619 CD1 LEU A 39 -11.285 12.448 -2.806 1.00 0.00 C ATOM 620 CD2 LEU A 39 -10.821 13.008 -5.198 1.00 0.00 C ATOM 0 H LEU A 39 -15.006 12.745 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.409 15.014 -3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.535 12.235 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.309 13.197 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.488 14.401 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.227 12.575 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.879 12.706 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.475 11.410 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.765 13.124 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.016 11.975 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.078 13.671 -6.024 1.00 0.00 H new ATOM 632 N PRO A 40 -14.281 16.271 -5.226 1.00 0.00 N ATOM 633 CA PRO A 40 -14.914 17.013 -6.325 1.00 0.00 C ATOM 634 C PRO A 40 -15.017 16.085 -7.541 1.00 0.00 C ATOM 635 O PRO A 40 -14.061 15.430 -7.905 1.00 0.00 O ATOM 636 CB PRO A 40 -13.974 18.210 -6.594 1.00 0.00 C ATOM 637 CG PRO A 40 -12.842 18.166 -5.530 1.00 0.00 C ATOM 638 CD PRO A 40 -13.091 16.929 -4.643 1.00 0.00 C ATOM 0 HA PRO A 40 -15.922 17.361 -6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.557 18.151 -7.599 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.523 19.150 -6.531 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.866 18.103 -6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -12.844 19.076 -4.929 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -12.230 16.261 -4.647 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.267 17.216 -3.606 1.00 0.00 H new ATOM 646 N LYS A 41 -16.171 16.018 -8.153 1.00 0.00 N ATOM 647 CA LYS A 41 -16.370 15.127 -9.336 1.00 0.00 C ATOM 648 C LYS A 41 -15.118 15.073 -10.210 1.00 0.00 C ATOM 649 O LYS A 41 -14.704 14.024 -10.662 1.00 0.00 O ATOM 650 CB LYS A 41 -17.522 15.673 -10.166 1.00 0.00 C ATOM 651 CG LYS A 41 -17.885 14.673 -11.260 1.00 0.00 C ATOM 652 CD LYS A 41 -19.177 15.130 -11.968 1.00 0.00 C ATOM 653 CE LYS A 41 -19.138 14.708 -13.437 1.00 0.00 C ATOM 654 NZ LYS A 41 -20.429 15.058 -14.093 1.00 0.00 N ATOM 0 H LYS A 41 -16.996 16.551 -7.879 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.584 14.120 -8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.386 15.859 -9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.242 16.628 -10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.071 14.595 -11.981 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.025 13.682 -10.829 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.046 14.692 -11.477 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.280 16.213 -11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.313 15.206 -13.947 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.959 13.635 -13.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.400 14.770 -15.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.208 14.564 -13.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.582 16.085 -14.033 1.00 0.00 H new ATOM 668 N SER A 42 -14.524 16.196 -10.451 1.00 0.00 N ATOM 669 CA SER A 42 -13.303 16.232 -11.302 1.00 0.00 C ATOM 670 C SER A 42 -12.261 15.259 -10.762 1.00 0.00 C ATOM 671 O SER A 42 -11.874 14.307 -11.413 1.00 0.00 O ATOM 672 CB SER A 42 -12.711 17.634 -11.252 1.00 0.00 C ATOM 673 OG SER A 42 -13.607 18.549 -11.868 1.00 0.00 O ATOM 0 H SER A 42 -14.829 17.102 -10.095 1.00 0.00 H new ATOM 0 HA SER A 42 -13.571 15.957 -12.322 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.529 17.927 -10.218 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.748 17.652 -11.762 1.00 0.00 H new ATOM 0 HG SER A 42 -13.227 19.452 -11.834 1.00 0.00 H new ATOM 679 N LEU A 43 -11.795 15.498 -9.575 1.00 0.00 N ATOM 680 CA LEU A 43 -10.769 14.602 -8.996 1.00 0.00 C ATOM 681 C LEU A 43 -11.432 13.326 -8.497 1.00 0.00 C ATOM 682 O LEU A 43 -10.766 12.439 -8.019 1.00 0.00 O ATOM 683 CB LEU A 43 -10.075 15.293 -7.821 1.00 0.00 C ATOM 684 CG LEU A 43 -9.216 16.477 -8.293 1.00 0.00 C ATOM 685 CD1 LEU A 43 -8.163 16.015 -9.318 1.00 0.00 C ATOM 686 CD2 LEU A 43 -10.114 17.565 -8.905 1.00 0.00 C ATOM 0 H LEU A 43 -12.081 16.276 -8.981 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.033 14.364 -9.764 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.823 15.645 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.448 14.574 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.693 16.890 -7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.567 16.870 -9.638 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.512 15.270 -8.860 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.664 15.578 -10.182 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.498 18.401 -9.237 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.656 17.153 -9.756 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.825 17.914 -8.156 1.00 0.00 H new ATOM 698 N SER A 44 -12.733 13.211 -8.603 1.00 0.00 N ATOM 699 CA SER A 44 -13.406 11.971 -8.131 1.00 0.00 C ATOM 700 C SER A 44 -13.402 10.999 -9.293 1.00 0.00 C ATOM 701 O SER A 44 -13.393 9.796 -9.121 1.00 0.00 O ATOM 702 CB SER A 44 -14.853 12.277 -7.710 1.00 0.00 C ATOM 703 OG SER A 44 -15.736 11.986 -8.787 1.00 0.00 O ATOM 0 H SER A 44 -13.352 13.921 -8.995 1.00 0.00 H new ATOM 0 HA SER A 44 -12.888 11.554 -7.267 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.121 11.683 -6.836 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.945 13.325 -7.424 1.00 0.00 H new ATOM 0 HG SER A 44 -15.493 12.529 -9.565 1.00 0.00 H new ATOM 709 N GLU A 45 -13.390 11.524 -10.489 1.00 0.00 N ATOM 710 CA GLU A 45 -13.364 10.644 -11.675 1.00 0.00 C ATOM 711 C GLU A 45 -11.923 10.170 -11.868 1.00 0.00 C ATOM 712 O GLU A 45 -11.668 9.087 -12.355 1.00 0.00 O ATOM 713 CB GLU A 45 -13.886 11.407 -12.914 1.00 0.00 C ATOM 714 CG GLU A 45 -12.743 12.122 -13.653 1.00 0.00 C ATOM 715 CD GLU A 45 -13.314 13.218 -14.556 1.00 0.00 C ATOM 716 OE1 GLU A 45 -14.261 12.936 -15.271 1.00 0.00 O ATOM 717 OE2 GLU A 45 -12.794 14.321 -14.516 1.00 0.00 O ATOM 0 H GLU A 45 -13.397 12.524 -10.688 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.015 9.780 -11.537 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.380 10.710 -13.591 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.635 12.137 -12.606 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.048 12.556 -12.934 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.178 11.405 -14.249 1.00 0.00 H new ATOM 724 N GLU A 46 -10.976 10.983 -11.471 1.00 0.00 N ATOM 725 CA GLU A 46 -9.545 10.595 -11.610 1.00 0.00 C ATOM 726 C GLU A 46 -9.138 9.713 -10.422 1.00 0.00 C ATOM 727 O GLU A 46 -8.199 8.946 -10.501 1.00 0.00 O ATOM 728 CB GLU A 46 -8.672 11.856 -11.630 1.00 0.00 C ATOM 729 CG GLU A 46 -8.762 12.525 -13.004 1.00 0.00 C ATOM 730 CD GLU A 46 -7.803 13.716 -13.055 1.00 0.00 C ATOM 731 OE1 GLU A 46 -6.678 13.564 -12.609 1.00 0.00 O ATOM 732 OE2 GLU A 46 -8.210 14.759 -13.539 1.00 0.00 O ATOM 0 H GLU A 46 -11.136 11.901 -11.056 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.407 10.042 -12.539 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.000 12.549 -10.855 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.637 11.597 -11.408 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.511 11.809 -13.786 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.783 12.858 -13.192 1.00 0.00 H new ATOM 739 N CYS A 47 -9.836 9.819 -9.321 1.00 0.00 N ATOM 740 CA CYS A 47 -9.488 8.992 -8.127 1.00 0.00 C ATOM 741 C CYS A 47 -10.065 7.582 -8.311 1.00 0.00 C ATOM 742 O CYS A 47 -9.561 6.620 -7.771 1.00 0.00 O ATOM 743 CB CYS A 47 -10.067 9.675 -6.866 1.00 0.00 C ATOM 744 SG CYS A 47 -10.786 8.485 -5.699 1.00 0.00 S ATOM 0 H CYS A 47 -10.633 10.443 -9.197 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.407 8.908 -8.013 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.278 10.237 -6.367 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.831 10.393 -7.164 1.00 0.00 H new ATOM 749 N GLN A 48 -11.105 7.451 -9.087 1.00 0.00 N ATOM 750 CA GLN A 48 -11.698 6.109 -9.325 1.00 0.00 C ATOM 751 C GLN A 48 -11.039 5.547 -10.573 1.00 0.00 C ATOM 752 O GLN A 48 -11.009 4.353 -10.800 1.00 0.00 O ATOM 753 CB GLN A 48 -13.211 6.245 -9.543 1.00 0.00 C ATOM 754 CG GLN A 48 -13.920 6.332 -8.187 1.00 0.00 C ATOM 755 CD GLN A 48 -14.013 4.937 -7.564 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.030 4.500 -6.826 1.00 0.00 O flip ATOM 757 NE2 GLN A 48 -14.989 4.238 -7.751 1.00 0.00 N flip ATOM 0 H GLN A 48 -11.571 8.221 -9.568 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.536 5.450 -8.472 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.425 7.135 -10.134 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.586 5.391 -10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.374 7.002 -7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.918 6.752 -8.314 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.758 4.579 -8.328 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -15.040 3.310 -7.331 1.00 0.00 H new ATOM 766 N GLU A 49 -10.487 6.413 -11.376 1.00 0.00 N ATOM 767 CA GLU A 49 -9.806 5.951 -12.598 1.00 0.00 C ATOM 768 C GLU A 49 -8.485 5.304 -12.195 1.00 0.00 C ATOM 769 O GLU A 49 -8.107 4.264 -12.701 1.00 0.00 O ATOM 770 CB GLU A 49 -9.535 7.140 -13.522 1.00 0.00 C ATOM 771 CG GLU A 49 -8.886 6.644 -14.812 1.00 0.00 C ATOM 772 CD GLU A 49 -8.691 7.819 -15.772 1.00 0.00 C ATOM 773 OE1 GLU A 49 -7.723 8.543 -15.603 1.00 0.00 O ATOM 774 OE2 GLU A 49 -9.513 7.976 -16.660 1.00 0.00 O ATOM 0 H GLU A 49 -10.483 7.423 -11.231 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.433 5.232 -13.126 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.467 7.659 -13.747 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.882 7.858 -13.026 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.926 6.178 -14.592 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.512 5.882 -15.276 1.00 0.00 H new ATOM 781 N VAL A 50 -7.778 5.906 -11.274 1.00 0.00 N ATOM 782 CA VAL A 50 -6.490 5.310 -10.843 1.00 0.00 C ATOM 783 C VAL A 50 -6.769 4.032 -10.056 1.00 0.00 C ATOM 784 O VAL A 50 -6.118 3.037 -10.250 1.00 0.00 O ATOM 785 CB VAL A 50 -5.699 6.286 -9.968 1.00 0.00 C ATOM 786 CG1 VAL A 50 -6.387 6.439 -8.609 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.280 5.729 -9.767 1.00 0.00 C ATOM 0 H VAL A 50 -8.038 6.776 -10.809 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.896 5.085 -11.729 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.652 7.261 -10.452 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.820 7.135 -7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.397 6.822 -8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.435 5.469 -8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.705 6.415 -9.145 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.337 4.756 -9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.791 5.620 -10.735 1.00 0.00 H new ATOM 797 N VAL A 51 -7.741 4.051 -9.174 1.00 0.00 N ATOM 798 CA VAL A 51 -8.073 2.820 -8.385 1.00 0.00 C ATOM 799 C VAL A 51 -8.112 1.633 -9.347 1.00 0.00 C ATOM 800 O VAL A 51 -7.458 0.630 -9.136 1.00 0.00 O ATOM 801 CB VAL A 51 -9.442 3.023 -7.716 1.00 0.00 C ATOM 802 CG1 VAL A 51 -9.975 1.693 -7.174 1.00 0.00 C ATOM 803 CG2 VAL A 51 -9.310 4.037 -6.562 1.00 0.00 C ATOM 0 H VAL A 51 -8.319 4.865 -8.966 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.328 2.631 -7.612 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.142 3.405 -8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.945 1.854 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.083 0.983 -7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.277 1.294 -6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.282 4.179 -6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.600 3.660 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.954 4.990 -6.954 1.00 0.00 H new ATOM 813 N ASP A 52 -8.838 1.750 -10.426 1.00 0.00 N ATOM 814 CA ASP A 52 -8.863 0.639 -11.413 1.00 0.00 C ATOM 815 C ASP A 52 -7.413 0.332 -11.788 1.00 0.00 C ATOM 816 O ASP A 52 -7.033 -0.805 -11.987 1.00 0.00 O ATOM 817 CB ASP A 52 -9.641 1.068 -12.659 1.00 0.00 C ATOM 818 CG ASP A 52 -9.737 -0.108 -13.633 1.00 0.00 C ATOM 819 OD1 ASP A 52 -9.932 -1.220 -13.170 1.00 0.00 O ATOM 820 OD2 ASP A 52 -9.612 0.123 -14.825 1.00 0.00 O ATOM 0 H ASP A 52 -9.410 2.561 -10.663 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.349 -0.241 -10.992 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.639 1.404 -12.379 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.144 1.911 -13.139 1.00 0.00 H new ATOM 825 N THR A 53 -6.591 1.353 -11.850 1.00 0.00 N ATOM 826 CA THR A 53 -5.152 1.145 -12.174 1.00 0.00 C ATOM 827 C THR A 53 -4.405 0.741 -10.900 1.00 0.00 C ATOM 828 O THR A 53 -3.368 0.109 -10.952 1.00 0.00 O ATOM 829 CB THR A 53 -4.564 2.412 -12.805 1.00 0.00 C ATOM 830 OG1 THR A 53 -5.273 2.703 -14.001 1.00 0.00 O ATOM 831 CG2 THR A 53 -3.084 2.194 -13.138 1.00 0.00 C ATOM 0 H THR A 53 -6.860 2.323 -11.689 1.00 0.00 H new ATOM 0 HA THR A 53 -5.044 0.342 -12.903 1.00 0.00 H new ATOM 0 HB THR A 53 -4.654 3.241 -12.103 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.905 3.513 -14.411 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.675 3.099 -13.586 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.536 1.961 -12.225 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.987 1.366 -13.840 1.00 0.00 H new ATOM 839 N TYR A 54 -4.941 1.082 -9.755 1.00 0.00 N ATOM 840 CA TYR A 54 -4.297 0.711 -8.458 1.00 0.00 C ATOM 841 C TYR A 54 -5.351 0.089 -7.550 1.00 0.00 C ATOM 842 O TYR A 54 -5.862 0.725 -6.649 1.00 0.00 O ATOM 843 CB TYR A 54 -3.733 1.946 -7.770 1.00 0.00 C ATOM 844 CG TYR A 54 -2.533 2.435 -8.532 1.00 0.00 C ATOM 845 CD1 TYR A 54 -2.719 3.020 -9.774 1.00 0.00 C ATOM 846 CD2 TYR A 54 -1.251 2.328 -7.989 1.00 0.00 C ATOM 847 CE1 TYR A 54 -1.631 3.511 -10.495 1.00 0.00 C ATOM 848 CE2 TYR A 54 -0.149 2.810 -8.707 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.339 3.407 -9.963 1.00 0.00 C ATOM 850 OH TYR A 54 0.742 3.891 -10.671 1.00 0.00 O ATOM 0 H TYR A 54 -5.809 1.609 -9.663 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.486 0.009 -8.652 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.491 2.728 -7.722 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.454 1.709 -6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.714 3.096 -10.187 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.110 1.875 -7.019 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.784 3.970 -11.461 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.845 2.722 -8.295 1.00 0.00 H new ATOM 0 HH TYR A 54 1.563 3.740 -10.158 1.00 0.00 H new ATOM 860 N GLY A 55 -5.687 -1.144 -7.782 1.00 0.00 N ATOM 861 CA GLY A 55 -6.711 -1.820 -6.935 1.00 0.00 C ATOM 862 C GLY A 55 -6.373 -3.306 -6.805 1.00 0.00 C ATOM 863 O GLY A 55 -5.607 -3.708 -5.967 1.00 0.00 O ATOM 0 H GLY A 55 -5.295 -1.720 -8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.744 -1.357 -5.949 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.700 -1.699 -7.377 1.00 0.00 H new ATOM 867 N SER A 56 -6.940 -4.139 -7.616 1.00 0.00 N ATOM 868 CA SER A 56 -6.632 -5.591 -7.490 1.00 0.00 C ATOM 869 C SER A 56 -5.115 -5.803 -7.375 1.00 0.00 C ATOM 870 O SER A 56 -4.659 -6.833 -6.922 1.00 0.00 O ATOM 871 CB SER A 56 -7.164 -6.329 -8.720 1.00 0.00 C ATOM 872 OG SER A 56 -6.126 -6.449 -9.686 1.00 0.00 O ATOM 0 H SER A 56 -7.597 -3.889 -8.355 1.00 0.00 H new ATOM 0 HA SER A 56 -7.110 -5.982 -6.592 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.527 -7.317 -8.436 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.010 -5.788 -9.144 1.00 0.00 H new ATOM 0 HG SER A 56 -6.465 -6.923 -10.474 1.00 0.00 H new ATOM 878 N SER A 57 -4.333 -4.828 -7.761 1.00 0.00 N ATOM 879 CA SER A 57 -2.846 -4.975 -7.658 1.00 0.00 C ATOM 880 C SER A 57 -2.375 -4.385 -6.334 1.00 0.00 C ATOM 881 O SER A 57 -2.189 -5.104 -5.378 1.00 0.00 O ATOM 882 CB SER A 57 -2.157 -4.237 -8.810 1.00 0.00 C ATOM 883 OG SER A 57 -2.354 -4.960 -10.016 1.00 0.00 O ATOM 0 H SER A 57 -4.656 -3.939 -8.142 1.00 0.00 H new ATOM 0 HA SER A 57 -2.590 -6.033 -7.710 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.563 -3.230 -8.906 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.092 -4.133 -8.605 1.00 0.00 H new ATOM 0 HG SER A 57 -1.916 -4.489 -10.755 1.00 0.00 H new ATOM 889 N ILE A 58 -2.196 -3.080 -6.275 1.00 0.00 N ATOM 890 CA ILE A 58 -1.740 -2.394 -5.015 1.00 0.00 C ATOM 891 C ILE A 58 -2.147 -3.205 -3.790 1.00 0.00 C ATOM 892 O ILE A 58 -1.372 -3.421 -2.880 1.00 0.00 O ATOM 893 CB ILE A 58 -2.408 -1.018 -4.957 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.922 -0.220 -3.733 1.00 0.00 C ATOM 895 CG2 ILE A 58 -3.919 -1.186 -4.871 1.00 0.00 C ATOM 896 CD1 ILE A 58 -2.847 0.988 -3.510 1.00 0.00 C ATOM 0 H ILE A 58 -2.350 -2.450 -7.063 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.654 -2.298 -5.020 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.141 -0.472 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.918 -0.857 -2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.897 0.117 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.392 -0.205 -4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.276 -1.724 -5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.172 -1.749 -3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.504 1.554 -2.644 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.829 1.628 -4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.865 0.640 -3.336 1.00 0.00 H new ATOM 908 N LEU A 59 -3.362 -3.659 -3.772 1.00 0.00 N ATOM 909 CA LEU A 59 -3.825 -4.466 -2.607 1.00 0.00 C ATOM 910 C LEU A 59 -3.234 -5.885 -2.682 1.00 0.00 C ATOM 911 O LEU A 59 -2.605 -6.349 -1.755 1.00 0.00 O ATOM 912 CB LEU A 59 -5.365 -4.590 -2.564 1.00 0.00 C ATOM 913 CG LEU A 59 -6.043 -3.294 -3.006 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.528 -3.559 -3.250 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.874 -2.210 -1.934 1.00 0.00 C ATOM 0 H LEU A 59 -4.055 -3.510 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.487 -3.950 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.684 -5.408 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.683 -4.842 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.578 -2.944 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.015 -2.636 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.640 -4.313 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.990 -3.917 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.362 -1.293 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.326 -2.547 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.813 -2.019 -1.774 1.00 0.00 H new ATOM 927 N SER A 60 -3.475 -6.591 -3.766 1.00 0.00 N ATOM 928 CA SER A 60 -2.976 -8.003 -3.884 1.00 0.00 C ATOM 929 C SER A 60 -1.481 -8.059 -4.235 1.00 0.00 C ATOM 930 O SER A 60 -0.926 -9.124 -4.419 1.00 0.00 O ATOM 931 CB SER A 60 -3.775 -8.724 -4.974 1.00 0.00 C ATOM 932 OG SER A 60 -3.736 -10.125 -4.732 1.00 0.00 O ATOM 0 H SER A 60 -3.996 -6.250 -4.574 1.00 0.00 H new ATOM 0 HA SER A 60 -3.110 -8.489 -2.917 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.807 -8.372 -4.979 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.358 -8.501 -5.956 1.00 0.00 H new ATOM 0 HG SER A 60 -2.819 -10.394 -4.515 1.00 0.00 H new ATOM 938 N ILE A 61 -0.833 -6.937 -4.361 1.00 0.00 N ATOM 939 CA ILE A 61 0.617 -6.937 -4.739 1.00 0.00 C ATOM 940 C ILE A 61 1.502 -6.904 -3.485 1.00 0.00 C ATOM 941 O ILE A 61 2.283 -7.803 -3.262 1.00 0.00 O ATOM 942 CB ILE A 61 0.845 -5.726 -5.680 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.936 -6.019 -6.723 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.180 -4.444 -4.914 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.324 -6.000 -6.093 1.00 0.00 C ATOM 0 H ILE A 61 -1.242 -6.013 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 61 0.895 -7.850 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.100 -5.564 -6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.754 -6.992 -7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.887 -5.279 -7.522 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.330 -3.627 -5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.358 -4.197 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.091 -4.594 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.073 -6.211 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.514 -5.018 -5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.379 -6.758 -5.312 1.00 0.00 H new ATOM 957 N LEU A 62 1.390 -5.901 -2.671 1.00 0.00 N ATOM 958 CA LEU A 62 2.241 -5.827 -1.444 1.00 0.00 C ATOM 959 C LEU A 62 2.062 -7.076 -0.579 1.00 0.00 C ATOM 960 O LEU A 62 2.622 -7.173 0.495 1.00 0.00 O ATOM 961 CB LEU A 62 1.866 -4.585 -0.642 1.00 0.00 C ATOM 962 CG LEU A 62 2.128 -3.337 -1.493 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.617 -2.101 -0.749 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.630 -3.191 -1.795 1.00 0.00 C ATOM 0 H LEU A 62 0.744 -5.121 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 62 3.286 -5.769 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.816 -4.628 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.449 -4.542 0.278 1.00 0.00 H new ATOM 0 HG LEU A 62 1.599 -3.436 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.802 -1.212 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.547 -2.201 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.138 -2.009 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.795 -2.299 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.182 -3.102 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.979 -4.068 -2.340 1.00 0.00 H new ATOM 976 N LEU A 63 1.273 -8.026 -1.019 1.00 0.00 N ATOM 977 CA LEU A 63 1.052 -9.254 -0.196 1.00 0.00 C ATOM 978 C LEU A 63 1.962 -10.405 -0.654 1.00 0.00 C ATOM 979 O LEU A 63 2.583 -11.061 0.157 1.00 0.00 O ATOM 980 CB LEU A 63 -0.414 -9.713 -0.328 1.00 0.00 C ATOM 981 CG LEU A 63 -1.355 -8.532 -0.622 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.801 -9.003 -0.414 1.00 0.00 C ATOM 983 CD2 LEU A 63 -1.060 -7.322 0.299 1.00 0.00 C ATOM 0 H LEU A 63 0.775 -8.004 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 63 1.286 -9.005 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.494 -10.450 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.725 -10.206 0.593 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.199 -8.205 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.485 -8.179 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.016 -9.829 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.931 -9.336 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.745 -6.508 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.194 -7.616 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.034 -6.989 0.145 1.00 0.00 H new ATOM 995 N GLU A 64 1.997 -10.693 -1.939 1.00 0.00 N ATOM 996 CA GLU A 64 2.818 -11.856 -2.430 1.00 0.00 C ATOM 997 C GLU A 64 3.763 -11.448 -3.550 1.00 0.00 C ATOM 998 O GLU A 64 4.959 -11.644 -3.457 1.00 0.00 O ATOM 999 CB GLU A 64 1.873 -12.920 -2.973 1.00 0.00 C ATOM 1000 CG GLU A 64 1.041 -13.502 -1.828 1.00 0.00 C ATOM 1001 CD GLU A 64 0.098 -14.573 -2.378 1.00 0.00 C ATOM 1002 OE1 GLU A 64 -0.855 -14.209 -3.048 1.00 0.00 O ATOM 1003 OE2 GLU A 64 0.343 -15.740 -2.120 1.00 0.00 O ATOM 0 H GLU A 64 1.497 -10.178 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 64 3.411 -12.229 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.217 -12.487 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.442 -13.711 -3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.696 -13.933 -1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.468 -12.712 -1.342 1.00 0.00 H new ATOM 1010 N GLU A 65 3.258 -10.886 -4.612 1.00 0.00 N ATOM 1011 CA GLU A 65 4.164 -10.483 -5.723 1.00 0.00 C ATOM 1012 C GLU A 65 5.276 -9.617 -5.151 1.00 0.00 C ATOM 1013 O GLU A 65 6.219 -9.250 -5.823 1.00 0.00 O ATOM 1014 CB GLU A 65 3.374 -9.694 -6.771 1.00 0.00 C ATOM 1015 CG GLU A 65 2.073 -10.432 -7.090 1.00 0.00 C ATOM 1016 CD GLU A 65 1.407 -9.791 -8.309 1.00 0.00 C ATOM 1017 OE1 GLU A 65 1.863 -8.739 -8.724 1.00 0.00 O ATOM 1018 OE2 GLU A 65 0.450 -10.364 -8.805 1.00 0.00 O ATOM 0 H GLU A 65 2.268 -10.690 -4.759 1.00 0.00 H new ATOM 0 HA GLU A 65 4.591 -11.366 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.155 -8.693 -6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.969 -9.575 -7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.278 -11.484 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.401 -10.393 -6.233 1.00 0.00 H new ATOM 1025 N VAL A 66 5.139 -9.274 -3.907 1.00 0.00 N ATOM 1026 CA VAL A 66 6.129 -8.413 -3.227 1.00 0.00 C ATOM 1027 C VAL A 66 6.358 -8.932 -1.799 1.00 0.00 C ATOM 1028 O VAL A 66 5.442 -9.005 -1.003 1.00 0.00 O ATOM 1029 CB VAL A 66 5.507 -7.008 -3.217 1.00 0.00 C ATOM 1030 CG1 VAL A 66 5.848 -6.224 -1.955 1.00 0.00 C ATOM 1031 CG2 VAL A 66 5.958 -6.239 -4.446 1.00 0.00 C ATOM 0 H VAL A 66 4.358 -9.565 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 66 7.098 -8.407 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 66 4.424 -7.133 -3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.383 -5.239 -2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.476 -6.760 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.929 -6.111 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.515 -5.243 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.045 -6.153 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.639 -6.768 -5.344 1.00 0.00 H new ATOM 1041 N SER A 67 7.575 -9.261 -1.456 1.00 0.00 N ATOM 1042 CA SER A 67 7.847 -9.734 -0.069 1.00 0.00 C ATOM 1043 C SER A 67 7.964 -8.484 0.819 1.00 0.00 C ATOM 1044 O SER A 67 8.418 -7.466 0.343 1.00 0.00 O ATOM 1045 CB SER A 67 9.163 -10.512 -0.041 1.00 0.00 C ATOM 1046 OG SER A 67 8.969 -11.784 -0.645 1.00 0.00 O ATOM 0 H SER A 67 8.387 -9.223 -2.072 1.00 0.00 H new ATOM 0 HA SER A 67 7.051 -10.390 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.937 -9.959 -0.572 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.506 -10.633 0.987 1.00 0.00 H new ATOM 0 HG SER A 67 9.811 -12.285 -0.630 1.00 0.00 H new ATOM 1052 N PRO A 68 7.555 -8.563 2.072 1.00 0.00 N ATOM 1053 CA PRO A 68 7.620 -7.389 2.967 1.00 0.00 C ATOM 1054 C PRO A 68 9.049 -6.822 3.000 1.00 0.00 C ATOM 1055 O PRO A 68 9.270 -5.678 3.362 1.00 0.00 O ATOM 1056 CB PRO A 68 7.170 -7.920 4.348 1.00 0.00 C ATOM 1057 CG PRO A 68 6.927 -9.450 4.202 1.00 0.00 C ATOM 1058 CD PRO A 68 7.026 -9.790 2.700 1.00 0.00 C ATOM 0 HA PRO A 68 6.985 -6.567 2.637 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.932 -7.723 5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.260 -7.416 4.675 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.666 -10.012 4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.947 -9.722 4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.688 -10.639 2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.052 -10.057 2.289 1.00 0.00 H new ATOM 1066 N GLU A 69 10.019 -7.600 2.607 1.00 0.00 N ATOM 1067 CA GLU A 69 11.417 -7.081 2.608 1.00 0.00 C ATOM 1068 C GLU A 69 11.584 -6.170 1.394 1.00 0.00 C ATOM 1069 O GLU A 69 12.046 -5.050 1.498 1.00 0.00 O ATOM 1070 CB GLU A 69 12.437 -8.245 2.551 1.00 0.00 C ATOM 1071 CG GLU A 69 11.831 -9.518 3.163 1.00 0.00 C ATOM 1072 CD GLU A 69 12.950 -10.448 3.646 1.00 0.00 C ATOM 1073 OE1 GLU A 69 13.660 -10.063 4.560 1.00 0.00 O ATOM 1074 OE2 GLU A 69 13.076 -11.527 3.092 1.00 0.00 O ATOM 0 H GLU A 69 9.908 -8.563 2.288 1.00 0.00 H new ATOM 0 HA GLU A 69 11.604 -6.526 3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.727 -8.433 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.343 -7.970 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.179 -9.257 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.215 -10.030 2.424 1.00 0.00 H new ATOM 1081 N LEU A 70 11.190 -6.639 0.245 1.00 0.00 N ATOM 1082 CA LEU A 70 11.301 -5.800 -0.971 1.00 0.00 C ATOM 1083 C LEU A 70 10.561 -4.490 -0.701 1.00 0.00 C ATOM 1084 O LEU A 70 10.974 -3.429 -1.119 1.00 0.00 O ATOM 1085 CB LEU A 70 10.675 -6.563 -2.152 1.00 0.00 C ATOM 1086 CG LEU A 70 10.233 -5.617 -3.288 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.411 -4.742 -3.781 1.00 0.00 C ATOM 1088 CD2 LEU A 70 9.708 -6.477 -4.443 1.00 0.00 C ATOM 0 H LEU A 70 10.796 -7.568 0.098 1.00 0.00 H new ATOM 0 HA LEU A 70 12.339 -5.580 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.396 -7.283 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.815 -7.132 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 70 9.457 -4.947 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.067 -4.087 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.787 -4.139 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.209 -5.383 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.388 -5.832 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.500 -7.140 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.862 -7.072 -4.098 1.00 0.00 H new ATOM 1100 N VAL A 71 9.471 -4.556 0.012 1.00 0.00 N ATOM 1101 CA VAL A 71 8.714 -3.314 0.317 1.00 0.00 C ATOM 1102 C VAL A 71 9.679 -2.255 0.834 1.00 0.00 C ATOM 1103 O VAL A 71 9.949 -1.275 0.172 1.00 0.00 O ATOM 1104 CB VAL A 71 7.651 -3.600 1.371 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.896 -2.313 1.708 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.683 -4.631 0.809 1.00 0.00 C ATOM 0 H VAL A 71 9.074 -5.414 0.395 1.00 0.00 H new ATOM 0 HA VAL A 71 8.226 -2.954 -0.589 1.00 0.00 H new ATOM 0 HB VAL A 71 8.118 -3.980 2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.137 -2.523 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.595 -1.571 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.417 -1.926 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.914 -4.849 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.216 -4.238 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.225 -5.546 0.568 1.00 0.00 H new ATOM 1116 N CYS A 72 10.223 -2.447 2.003 1.00 0.00 N ATOM 1117 CA CYS A 72 11.181 -1.436 2.526 1.00 0.00 C ATOM 1118 C CYS A 72 12.249 -1.154 1.468 1.00 0.00 C ATOM 1119 O CYS A 72 12.980 -0.188 1.558 1.00 0.00 O ATOM 1120 CB CYS A 72 11.848 -1.947 3.792 1.00 0.00 C ATOM 1121 SG CYS A 72 10.600 -2.251 5.069 1.00 0.00 S ATOM 0 H CYS A 72 10.049 -3.248 2.611 1.00 0.00 H new ATOM 0 HA CYS A 72 10.638 -0.520 2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 72 12.395 -2.866 3.580 1.00 0.00 H new ATOM 0 HB3 CYS A 72 12.576 -1.218 4.149 1.00 0.00 H new ATOM 1126 N SER A 73 12.345 -1.984 0.462 1.00 0.00 N ATOM 1127 CA SER A 73 13.368 -1.748 -0.599 1.00 0.00 C ATOM 1128 C SER A 73 12.799 -0.797 -1.661 1.00 0.00 C ATOM 1129 O SER A 73 13.372 0.240 -1.930 1.00 0.00 O ATOM 1130 CB SER A 73 13.781 -3.081 -1.234 1.00 0.00 C ATOM 1131 OG SER A 73 15.114 -2.973 -1.716 1.00 0.00 O ATOM 0 H SER A 73 11.762 -2.811 0.330 1.00 0.00 H new ATOM 0 HA SER A 73 14.252 -1.290 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.710 -3.885 -0.501 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.105 -3.334 -2.051 1.00 0.00 H new ATOM 0 HG SER A 73 15.385 -3.823 -2.122 1.00 0.00 H new ATOM 1137 N MET A 74 11.679 -1.117 -2.272 1.00 0.00 N ATOM 1138 CA MET A 74 11.137 -0.175 -3.299 1.00 0.00 C ATOM 1139 C MET A 74 10.882 1.182 -2.640 1.00 0.00 C ATOM 1140 O MET A 74 11.075 2.220 -3.242 1.00 0.00 O ATOM 1141 CB MET A 74 9.858 -0.735 -3.964 1.00 0.00 C ATOM 1142 CG MET A 74 8.614 -0.503 -3.106 1.00 0.00 C ATOM 1143 SD MET A 74 7.138 -0.985 -4.048 1.00 0.00 S ATOM 1144 CE MET A 74 6.989 -2.693 -3.464 1.00 0.00 C ATOM 0 H MET A 74 11.133 -1.963 -2.109 1.00 0.00 H new ATOM 0 HA MET A 74 11.870 -0.053 -4.097 1.00 0.00 H new ATOM 0 HB2 MET A 74 9.720 -0.263 -4.937 1.00 0.00 H new ATOM 0 HB3 MET A 74 9.981 -1.803 -4.142 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.679 -1.084 -2.186 1.00 0.00 H new ATOM 0 HG3 MET A 74 8.548 0.546 -2.816 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.160 -3.181 -3.976 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.913 -3.231 -3.675 1.00 0.00 H new ATOM 0 HE3 MET A 74 6.804 -2.695 -2.390 1.00 0.00 H new