USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 94 MET CE :methyl -109:sc= -0.325 (180deg=-3.32!) USER MOD Set 1.2: A 105 CYS SG : rot -134:sc= -3.87! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 25 ASN : amide:sc= -7.27! C(o=-7.3!,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 0.933 (180deg=-1.22) USER MOD Single : A 29 CYS SG : rot 80:sc= -5.92! USER MOD Single : A 34 TYR OH : rot 104:sc= -1.51! USER MOD Single : A 35 SER OG : rot 180:sc= -0.766 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.219 F(o=-1.2,f=-0.22) USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= -0.0428 (180deg=-0.3) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.321 F(o=-4!,f=-0.32) USER MOD Single : A 51 SER OG : rot 180:sc= 0.011 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0774 USER MOD Single : A 76 THR OG1 : rot 180:sc=-0.00225 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -80:sc= 0.0466 USER MOD Single : A 95 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.256) USER MOD Single : A 97 MET CE :methyl -126:sc= -1.14 (180deg=-1.55) USER MOD Single : A 99 GLN :FLIP amide:sc= 0 F(o=-2.4!,f=0) USER MOD Single : A 104 CYS SG : rot -56:sc= -2.62 USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -3.505 8.761 -8.924 1.00 0.00 N ATOM 113 CA LYS A 9 -2.503 7.716 -8.746 1.00 0.00 C ATOM 114 C LYS A 9 -2.302 7.378 -7.272 1.00 0.00 C ATOM 115 O LYS A 9 -1.873 8.216 -6.474 1.00 0.00 O ATOM 116 CB LYS A 9 -1.172 8.149 -9.363 1.00 0.00 C ATOM 117 CG LYS A 9 -0.172 7.014 -9.511 1.00 0.00 C ATOM 118 CD LYS A 9 0.213 6.803 -10.965 1.00 0.00 C ATOM 119 CE LYS A 9 0.067 5.345 -11.375 1.00 0.00 C ATOM 120 NZ LYS A 9 -1.265 5.069 -11.979 1.00 0.00 N ATOM 0 HA LYS A 9 -2.865 6.822 -9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.361 8.586 -10.344 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.732 8.931 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.720 7.234 -8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.599 6.095 -9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.414 7.426 -11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.243 7.124 -11.120 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.850 5.089 -12.089 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.210 4.707 -10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.324 4.065 -12.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.011 5.289 -11.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.391 5.659 -12.826 1.00 0.00 H new ATOM 134 N ALA A 10 -2.624 6.142 -6.912 1.00 0.00 N ATOM 135 CA ALA A 10 -2.481 5.700 -5.536 1.00 0.00 C ATOM 136 C ALA A 10 -1.027 5.401 -5.204 1.00 0.00 C ATOM 137 O ALA A 10 -0.561 4.276 -5.373 1.00 0.00 O ATOM 138 CB ALA A 10 -3.354 4.482 -5.275 1.00 0.00 C ATOM 0 H ALA A 10 -2.984 5.433 -7.552 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.812 6.509 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.235 4.164 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.398 4.736 -5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.056 3.671 -5.940 1.00 0.00 H new ATOM 144 N ILE A 11 -0.309 6.419 -4.733 1.00 0.00 N ATOM 145 CA ILE A 11 1.099 6.265 -4.382 1.00 0.00 C ATOM 146 C ILE A 11 1.299 6.254 -2.870 1.00 0.00 C ATOM 147 O ILE A 11 1.082 7.263 -2.196 1.00 0.00 O ATOM 148 CB ILE A 11 1.956 7.392 -4.995 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.838 7.379 -6.520 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.411 7.249 -4.567 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.620 8.752 -7.119 1.00 0.00 C ATOM 0 H ILE A 11 -0.680 7.358 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 11 1.421 5.307 -4.791 1.00 0.00 H new ATOM 0 HB ILE A 11 1.585 8.349 -4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.744 6.946 -6.943 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.011 6.730 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.001 8.052 -5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.478 7.305 -3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.797 6.287 -4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.545 8.668 -8.203 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.698 9.179 -6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.459 9.399 -6.862 1.00 0.00 H new ATOM 163 N PHE A 12 1.730 5.112 -2.348 1.00 0.00 N ATOM 164 CA PHE A 12 1.982 4.962 -0.920 1.00 0.00 C ATOM 165 C PHE A 12 3.464 4.693 -0.683 1.00 0.00 C ATOM 166 O PHE A 12 3.968 3.622 -1.021 1.00 0.00 O ATOM 167 CB PHE A 12 1.147 3.812 -0.350 1.00 0.00 C ATOM 168 CG PHE A 12 -0.179 4.240 0.208 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.273 4.413 -0.624 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.334 4.467 1.566 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.496 4.806 -0.112 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.553 4.861 2.085 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.637 5.029 1.244 1.00 0.00 C ATOM 0 H PHE A 12 1.913 4.272 -2.896 1.00 0.00 H new ATOM 0 HA PHE A 12 1.698 5.885 -0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.979 3.075 -1.135 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.718 3.317 0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.170 4.239 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.509 4.334 2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.341 4.939 -0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.658 5.037 3.145 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.592 5.334 1.646 1.00 0.00 H new ATOM 183 N THR A 13 4.166 5.668 -0.113 1.00 0.00 N ATOM 184 CA THR A 13 5.594 5.515 0.146 1.00 0.00 C ATOM 185 C THR A 13 5.865 5.108 1.587 1.00 0.00 C ATOM 186 O THR A 13 5.509 5.817 2.527 1.00 0.00 O ATOM 187 CB THR A 13 6.372 6.806 -0.165 1.00 0.00 C ATOM 188 OG1 THR A 13 5.943 7.347 -1.422 1.00 0.00 O ATOM 189 CG2 THR A 13 7.868 6.533 -0.209 1.00 0.00 C ATOM 0 H THR A 13 3.774 6.564 0.176 1.00 0.00 H new ATOM 0 HA THR A 13 5.939 4.723 -0.519 1.00 0.00 H new ATOM 0 HB THR A 13 6.171 7.528 0.627 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.442 8.169 -1.612 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.400 7.458 -0.430 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.196 6.148 0.756 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.081 5.797 -0.985 1.00 0.00 H new ATOM 197 N VAL A 14 6.501 3.950 1.746 1.00 0.00 N ATOM 198 CA VAL A 14 6.835 3.415 3.060 1.00 0.00 C ATOM 199 C VAL A 14 8.220 2.775 3.040 1.00 0.00 C ATOM 200 O VAL A 14 8.851 2.685 1.991 1.00 0.00 O ATOM 201 CB VAL A 14 5.794 2.367 3.525 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.425 2.678 2.949 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.216 0.956 3.131 1.00 0.00 C ATOM 0 H VAL A 14 6.798 3.359 0.969 1.00 0.00 H new ATOM 0 HA VAL A 14 6.828 4.249 3.762 1.00 0.00 H new ATOM 0 HB VAL A 14 5.740 2.418 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.709 1.929 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.105 3.665 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.476 2.664 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.465 0.243 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.310 0.894 2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.175 0.721 3.593 1.00 0.00 H new ATOM 213 N ASP A 15 8.678 2.316 4.202 1.00 0.00 N ATOM 214 CA ASP A 15 9.977 1.659 4.304 1.00 0.00 C ATOM 215 C ASP A 15 9.808 0.154 4.119 1.00 0.00 C ATOM 216 O ASP A 15 8.729 -0.382 4.348 1.00 0.00 O ATOM 217 CB ASP A 15 10.621 1.952 5.661 1.00 0.00 C ATOM 218 CG ASP A 15 10.522 3.417 6.044 1.00 0.00 C ATOM 219 OD1 ASP A 15 10.965 4.269 5.244 1.00 0.00 O ATOM 220 OD2 ASP A 15 10.002 3.711 7.139 1.00 0.00 O ATOM 0 H ASP A 15 8.170 2.387 5.084 1.00 0.00 H new ATOM 0 HA ASP A 15 10.629 2.047 3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.139 1.345 6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.670 1.656 5.634 1.00 0.00 H new ATOM 225 N ALA A 16 10.860 -0.533 3.695 1.00 0.00 N ATOM 226 CA ALA A 16 10.774 -1.972 3.485 1.00 0.00 C ATOM 227 C ALA A 16 11.155 -2.738 4.737 1.00 0.00 C ATOM 228 O ALA A 16 10.788 -3.902 4.899 1.00 0.00 O ATOM 229 CB ALA A 16 11.641 -2.395 2.309 1.00 0.00 C ATOM 0 H ALA A 16 11.772 -0.124 3.492 1.00 0.00 H new ATOM 0 HA ALA A 16 9.737 -2.213 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.563 -3.473 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.303 -1.886 1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.679 -2.129 2.508 1.00 0.00 H new ATOM 235 N LYS A 17 11.876 -2.081 5.629 1.00 0.00 N ATOM 236 CA LYS A 17 12.276 -2.709 6.872 1.00 0.00 C ATOM 237 C LYS A 17 11.067 -2.865 7.782 1.00 0.00 C ATOM 238 O LYS A 17 10.657 -3.980 8.107 1.00 0.00 O ATOM 239 CB LYS A 17 13.355 -1.878 7.568 1.00 0.00 C ATOM 240 CG LYS A 17 14.533 -2.702 8.064 1.00 0.00 C ATOM 241 CD LYS A 17 15.751 -1.831 8.327 1.00 0.00 C ATOM 242 CE LYS A 17 15.579 -0.995 9.585 1.00 0.00 C ATOM 243 NZ LYS A 17 16.217 0.345 9.458 1.00 0.00 N ATOM 0 H LYS A 17 12.194 -1.119 5.515 1.00 0.00 H new ATOM 0 HA LYS A 17 12.688 -3.694 6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.719 -1.118 6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.909 -1.353 8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.253 -3.224 8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.782 -3.464 7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.635 -2.461 8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.921 -1.175 7.474 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.517 -0.872 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.013 -1.524 10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.076 0.882 10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.236 0.229 9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.786 0.861 8.665 1.00 0.00 H new ATOM 257 N THR A 18 10.522 -1.734 8.213 1.00 0.00 N ATOM 258 CA THR A 18 9.378 -1.752 9.117 1.00 0.00 C ATOM 259 C THR A 18 8.082 -1.273 8.477 1.00 0.00 C ATOM 260 O THR A 18 7.021 -1.368 9.094 1.00 0.00 O ATOM 261 CB THR A 18 9.647 -0.933 10.397 1.00 0.00 C ATOM 262 OG1 THR A 18 8.846 0.255 10.399 1.00 0.00 O ATOM 263 CG2 THR A 18 11.119 -0.554 10.508 1.00 0.00 C ATOM 0 H THR A 18 10.849 -0.803 7.955 1.00 0.00 H new ATOM 0 HA THR A 18 9.246 -2.803 9.375 1.00 0.00 H new ATOM 0 HB THR A 18 9.383 -1.553 11.253 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.022 0.767 11.216 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.279 0.022 11.419 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.726 -1.459 10.540 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.406 0.046 9.644 1.00 0.00 H new ATOM 271 N THR A 19 8.175 -0.746 7.266 1.00 0.00 N ATOM 272 CA THR A 19 7.008 -0.228 6.547 1.00 0.00 C ATOM 273 C THR A 19 6.685 1.195 7.002 1.00 0.00 C ATOM 274 O THR A 19 7.518 2.090 6.856 1.00 0.00 O ATOM 275 CB THR A 19 5.762 -1.132 6.712 1.00 0.00 C ATOM 276 OG1 THR A 19 6.158 -2.508 6.769 1.00 0.00 O ATOM 277 CG2 THR A 19 4.789 -0.931 5.559 1.00 0.00 C ATOM 0 H THR A 19 9.052 -0.663 6.752 1.00 0.00 H new ATOM 0 HA THR A 19 7.268 -0.220 5.488 1.00 0.00 H new ATOM 0 HB THR A 19 5.264 -0.857 7.642 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.364 -3.073 6.875 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.922 -1.577 5.698 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.466 0.110 5.533 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.281 -1.182 4.619 1.00 0.00 H new ATOM 285 N GLU A 20 5.487 1.407 7.549 1.00 0.00 N ATOM 286 CA GLU A 20 5.079 2.731 8.012 1.00 0.00 C ATOM 287 C GLU A 20 5.069 3.727 6.854 1.00 0.00 C ATOM 288 O GLU A 20 6.120 4.103 6.337 1.00 0.00 O ATOM 289 CB GLU A 20 6.010 3.224 9.122 1.00 0.00 C ATOM 290 CG GLU A 20 5.379 4.270 10.026 1.00 0.00 C ATOM 291 CD GLU A 20 6.307 5.437 10.302 1.00 0.00 C ATOM 292 OE1 GLU A 20 6.849 6.005 9.331 1.00 0.00 O ATOM 293 OE2 GLU A 20 6.489 5.783 11.488 1.00 0.00 O ATOM 0 H GLU A 20 4.785 0.679 7.681 1.00 0.00 H new ATOM 0 HA GLU A 20 4.068 2.653 8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.322 2.373 9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.910 3.641 8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.464 4.640 9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.095 3.805 10.970 1.00 0.00 H new ATOM 300 N ILE A 21 3.877 4.140 6.446 1.00 0.00 N ATOM 301 CA ILE A 21 3.732 5.079 5.339 1.00 0.00 C ATOM 302 C ILE A 21 4.351 6.432 5.665 1.00 0.00 C ATOM 303 O ILE A 21 3.788 7.216 6.430 1.00 0.00 O ATOM 304 CB ILE A 21 2.256 5.295 4.956 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.422 4.051 5.270 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.149 5.650 3.482 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.315 4.305 6.269 1.00 0.00 C ATOM 0 H ILE A 21 2.996 3.841 6.864 1.00 0.00 H new ATOM 0 HA ILE A 21 4.259 4.631 4.496 1.00 0.00 H new ATOM 0 HB ILE A 21 1.862 6.121 5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.987 3.672 4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.078 3.271 5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.102 5.801 3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.708 6.565 3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.560 4.839 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.236 3.381 6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.745 4.655 7.207 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.363 5.062 5.876 1.00 0.00 H new ATOM 319 N LEU A 22 5.507 6.704 5.067 1.00 0.00 N ATOM 320 CA LEU A 22 6.196 7.971 5.282 1.00 0.00 C ATOM 321 C LEU A 22 5.305 9.132 4.862 1.00 0.00 C ATOM 322 O LEU A 22 5.325 10.199 5.475 1.00 0.00 O ATOM 323 CB LEU A 22 7.510 8.015 4.492 1.00 0.00 C ATOM 324 CG LEU A 22 8.274 6.691 4.398 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.645 6.915 3.787 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.402 6.043 5.771 1.00 0.00 C ATOM 0 H LEU A 22 5.985 6.065 4.431 1.00 0.00 H new ATOM 0 HA LEU A 22 6.424 8.059 6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.293 8.361 3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.163 8.758 4.950 1.00 0.00 H new ATOM 0 HG LEU A 22 7.712 6.015 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.176 5.965 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.534 7.333 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.211 7.609 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.948 5.104 5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.941 6.713 6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.409 5.848 6.175 1.00 0.00 H new ATOM 338 N VAL A 23 4.517 8.907 3.811 1.00 0.00 N ATOM 339 CA VAL A 23 3.603 9.923 3.301 1.00 0.00 C ATOM 340 C VAL A 23 2.803 9.399 2.109 1.00 0.00 C ATOM 341 O VAL A 23 3.225 8.468 1.422 1.00 0.00 O ATOM 342 CB VAL A 23 4.357 11.212 2.892 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.545 11.295 1.381 1.00 0.00 C ATOM 344 CG2 VAL A 23 3.627 12.441 3.410 1.00 0.00 C ATOM 0 H VAL A 23 4.495 8.027 3.296 1.00 0.00 H new ATOM 0 HA VAL A 23 2.915 10.164 4.111 1.00 0.00 H new ATOM 0 HB VAL A 23 5.348 11.176 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.078 12.212 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.121 10.436 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.571 11.296 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.170 13.338 3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.621 12.470 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.566 12.396 4.497 1.00 0.00 H new ATOM 354 N ALA A 24 1.657 10.024 1.862 1.00 0.00 N ATOM 355 CA ALA A 24 0.799 9.651 0.745 1.00 0.00 C ATOM 356 C ALA A 24 0.265 10.909 0.068 1.00 0.00 C ATOM 357 O ALA A 24 0.277 11.986 0.660 1.00 0.00 O ATOM 358 CB ALA A 24 -0.337 8.753 1.214 1.00 0.00 C ATOM 0 H ALA A 24 1.300 10.796 2.425 1.00 0.00 H new ATOM 0 HA ALA A 24 1.383 9.086 0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.965 8.487 0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.075 7.847 1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.936 9.281 1.956 1.00 0.00 H new ATOM 364 N ASN A 25 -0.160 10.787 -1.183 1.00 0.00 N ATOM 365 CA ASN A 25 -0.639 11.951 -1.925 1.00 0.00 C ATOM 366 C ASN A 25 -2.161 12.057 -1.981 1.00 0.00 C ATOM 367 O ASN A 25 -2.888 11.136 -1.619 1.00 0.00 O ATOM 368 CB ASN A 25 -0.067 11.934 -3.345 1.00 0.00 C ATOM 369 CG ASN A 25 -0.435 10.674 -4.107 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.425 9.572 -3.560 1.00 0.00 O ATOM 371 ND2 ASN A 25 -0.764 10.834 -5.382 1.00 0.00 N ATOM 0 H ASN A 25 -0.184 9.909 -1.701 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.288 12.829 -1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.433 12.804 -3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.018 12.021 -3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.022 10.025 -5.948 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.759 11.766 -5.797 1.00 0.00 H new ATOM 378 N ASP A 26 -2.613 13.213 -2.456 1.00 0.00 N ATOM 379 CA ASP A 26 -4.035 13.519 -2.589 1.00 0.00 C ATOM 380 C ASP A 26 -4.737 12.560 -3.544 1.00 0.00 C ATOM 381 O ASP A 26 -5.962 12.590 -3.672 1.00 0.00 O ATOM 382 CB ASP A 26 -4.232 14.960 -3.062 1.00 0.00 C ATOM 383 CG ASP A 26 -3.112 15.434 -3.968 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.043 15.811 -3.444 1.00 0.00 O ATOM 385 OD2 ASP A 26 -3.303 15.429 -5.201 1.00 0.00 O ATOM 0 H ASP A 26 -2.000 13.969 -2.762 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.484 13.398 -1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.181 15.038 -3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.296 15.618 -2.195 1.00 0.00 H new ATOM 390 N LYS A 27 -3.971 11.691 -4.186 1.00 0.00 N ATOM 391 CA LYS A 27 -4.540 10.709 -5.093 1.00 0.00 C ATOM 392 C LYS A 27 -4.778 9.414 -4.330 1.00 0.00 C ATOM 393 O LYS A 27 -5.921 9.032 -4.078 1.00 0.00 O ATOM 394 CB LYS A 27 -3.607 10.482 -6.284 1.00 0.00 C ATOM 395 CG LYS A 27 -3.639 11.613 -7.298 1.00 0.00 C ATOM 396 CD LYS A 27 -2.266 11.867 -7.899 1.00 0.00 C ATOM 397 CE LYS A 27 -1.681 13.185 -7.417 1.00 0.00 C ATOM 398 NZ LYS A 27 -2.588 14.335 -7.693 1.00 0.00 N ATOM 0 H LYS A 27 -2.956 11.647 -4.095 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.490 11.073 -5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.587 10.359 -5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.882 9.551 -6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.345 11.370 -8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.000 12.522 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.595 11.051 -7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.340 11.877 -8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.488 13.125 -6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.721 13.355 -7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.050 15.100 -8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.355 14.028 -8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.993 14.680 -6.799 1.00 0.00 H new ATOM 412 N ALA A 28 -3.685 8.761 -3.937 1.00 0.00 N ATOM 413 CA ALA A 28 -3.760 7.524 -3.165 1.00 0.00 C ATOM 414 C ALA A 28 -4.750 7.655 -2.013 1.00 0.00 C ATOM 415 O ALA A 28 -5.670 6.847 -1.870 1.00 0.00 O ATOM 416 CB ALA A 28 -2.385 7.167 -2.621 1.00 0.00 C ATOM 0 H ALA A 28 -2.735 9.070 -4.142 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.107 6.732 -3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.450 6.243 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.690 7.031 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.029 7.971 -1.977 1.00 0.00 H new ATOM 422 N CYS A 29 -4.552 8.683 -1.197 1.00 0.00 N ATOM 423 CA CYS A 29 -5.420 8.938 -0.055 1.00 0.00 C ATOM 424 C CYS A 29 -6.871 9.050 -0.501 1.00 0.00 C ATOM 425 O CYS A 29 -7.780 8.591 0.192 1.00 0.00 O ATOM 426 CB CYS A 29 -4.965 10.214 0.651 1.00 0.00 C ATOM 427 SG CYS A 29 -3.184 10.269 0.958 1.00 0.00 S ATOM 0 H CYS A 29 -3.794 9.357 -1.306 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.352 8.104 0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.249 11.076 0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.493 10.303 1.601 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.567 10.630 -0.128 1.00 0.00 H new ATOM 433 N GLY A 30 -7.082 9.638 -1.677 1.00 0.00 N ATOM 434 CA GLY A 30 -8.429 9.762 -2.205 1.00 0.00 C ATOM 435 C GLY A 30 -9.062 8.399 -2.393 1.00 0.00 C ATOM 436 O GLY A 30 -10.230 8.192 -2.057 1.00 0.00 O ATOM 0 H GLY A 30 -6.349 10.028 -2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.037 10.359 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.403 10.290 -3.158 1.00 0.00 H new ATOM 440 N LEU A 31 -8.269 7.466 -2.919 1.00 0.00 N ATOM 441 CA LEU A 31 -8.720 6.096 -3.144 1.00 0.00 C ATOM 442 C LEU A 31 -9.417 5.573 -1.888 1.00 0.00 C ATOM 443 O LEU A 31 -10.558 5.112 -1.943 1.00 0.00 O ATOM 444 CB LEU A 31 -7.515 5.216 -3.526 1.00 0.00 C ATOM 445 CG LEU A 31 -7.758 3.703 -3.642 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.447 3.016 -2.323 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.181 3.392 -4.095 1.00 0.00 C ATOM 0 H LEU A 31 -7.303 7.638 -3.199 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.437 6.068 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.128 5.570 -4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.732 5.376 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.084 3.315 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.624 1.945 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.404 3.189 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.090 3.420 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.313 2.312 -4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.890 3.798 -3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.359 3.843 -5.071 1.00 0.00 H new ATOM 459 N LEU A 32 -8.732 5.676 -0.752 1.00 0.00 N ATOM 460 CA LEU A 32 -9.307 5.242 0.518 1.00 0.00 C ATOM 461 C LEU A 32 -10.133 6.360 1.137 1.00 0.00 C ATOM 462 O LEU A 32 -11.355 6.402 1.001 1.00 0.00 O ATOM 463 CB LEU A 32 -8.239 4.832 1.529 1.00 0.00 C ATOM 464 CG LEU A 32 -7.068 4.015 1.009 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.029 4.914 0.354 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.460 3.253 2.166 1.00 0.00 C ATOM 0 H LEU A 32 -7.787 6.053 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.931 4.377 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.842 5.738 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.724 4.261 2.320 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.420 3.315 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.200 4.307 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.483 5.447 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.658 5.633 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.617 2.661 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.114 3.956 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.210 2.592 2.600 1.00 0.00 H new ATOM 478 N GLY A 33 -9.441 7.266 1.824 1.00 0.00 N ATOM 479 CA GLY A 33 -10.106 8.384 2.469 1.00 0.00 C ATOM 480 C GLY A 33 -9.219 9.061 3.498 1.00 0.00 C ATOM 481 O GLY A 33 -9.702 9.783 4.371 1.00 0.00 O ATOM 0 H GLY A 33 -8.428 7.245 1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.405 9.111 1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.018 8.033 2.952 1.00 0.00 H new ATOM 485 N TYR A 34 -7.918 8.822 3.389 1.00 0.00 N ATOM 486 CA TYR A 34 -6.941 9.403 4.305 1.00 0.00 C ATOM 487 C TYR A 34 -6.232 10.583 3.646 1.00 0.00 C ATOM 488 O TYR A 34 -6.792 11.252 2.778 1.00 0.00 O ATOM 489 CB TYR A 34 -5.900 8.350 4.699 1.00 0.00 C ATOM 490 CG TYR A 34 -6.419 7.243 5.584 1.00 0.00 C ATOM 491 CD1 TYR A 34 -7.437 6.402 5.161 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.878 7.035 6.845 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.905 5.385 5.971 1.00 0.00 C ATOM 494 CE2 TYR A 34 -6.337 6.022 7.661 1.00 0.00 C ATOM 495 CZ TYR A 34 -7.351 5.199 7.220 1.00 0.00 C ATOM 496 OH TYR A 34 -7.812 4.188 8.029 1.00 0.00 O ATOM 0 H TYR A 34 -7.511 8.225 2.669 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.467 9.749 5.195 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.491 7.908 3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.076 8.848 5.210 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.871 6.544 4.182 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.083 7.678 7.194 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.700 4.740 5.628 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.904 5.875 8.640 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.167 3.450 8.030 1.00 0.00 H new ATOM 506 N SER A 35 -4.983 10.807 4.049 1.00 0.00 N ATOM 507 CA SER A 35 -4.161 11.870 3.489 1.00 0.00 C ATOM 508 C SER A 35 -2.743 11.790 4.031 1.00 0.00 C ATOM 509 O SER A 35 -2.491 11.129 5.038 1.00 0.00 O ATOM 510 CB SER A 35 -4.742 13.250 3.752 1.00 0.00 C ATOM 511 OG SER A 35 -4.732 13.562 5.131 1.00 0.00 O ATOM 0 H SER A 35 -4.516 10.257 4.770 1.00 0.00 H new ATOM 0 HA SER A 35 -4.144 11.722 2.409 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.168 13.998 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.764 13.294 3.375 1.00 0.00 H new ATOM 0 HG SER A 35 -5.110 14.456 5.267 1.00 0.00 H new ATOM 517 N SER A 36 -1.826 12.456 3.342 1.00 0.00 N ATOM 518 CA SER A 36 -0.414 12.469 3.724 1.00 0.00 C ATOM 519 C SER A 36 -0.224 12.520 5.241 1.00 0.00 C ATOM 520 O SER A 36 0.659 11.856 5.780 1.00 0.00 O ATOM 521 CB SER A 36 0.290 13.665 3.079 1.00 0.00 C ATOM 522 OG SER A 36 1.016 14.412 4.041 1.00 0.00 O ATOM 0 H SER A 36 -2.035 13.001 2.506 1.00 0.00 H new ATOM 0 HA SER A 36 0.026 11.538 3.367 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.967 13.315 2.300 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.447 14.307 2.596 1.00 0.00 H new ATOM 0 HG SER A 36 1.457 15.169 3.602 1.00 0.00 H new ATOM 528 N GLN A 37 -1.038 13.323 5.921 1.00 0.00 N ATOM 529 CA GLN A 37 -0.931 13.466 7.372 1.00 0.00 C ATOM 530 C GLN A 37 -1.956 12.614 8.125 1.00 0.00 C ATOM 531 O GLN A 37 -1.731 12.243 9.277 1.00 0.00 O ATOM 532 CB GLN A 37 -1.095 14.936 7.767 1.00 0.00 C ATOM 533 CG GLN A 37 -2.174 15.661 6.977 1.00 0.00 C ATOM 534 CD GLN A 37 -1.746 17.053 6.555 1.00 0.00 C ATOM 535 OE1 GLN A 37 -1.771 17.389 5.371 1.00 0.00 O ATOM 536 NE2 GLN A 37 -1.349 17.870 7.524 1.00 0.00 N ATOM 0 H GLN A 37 -1.776 13.883 5.494 1.00 0.00 H new ATOM 0 HA GLN A 37 0.060 13.110 7.655 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.333 14.994 8.829 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.145 15.450 7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.426 15.077 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.078 15.730 7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.345 17.549 8.492 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.049 18.819 7.300 1.00 0.00 H new ATOM 545 N ASP A 38 -3.087 12.328 7.487 1.00 0.00 N ATOM 546 CA ASP A 38 -4.145 11.546 8.128 1.00 0.00 C ATOM 547 C ASP A 38 -3.836 10.050 8.142 1.00 0.00 C ATOM 548 O ASP A 38 -4.581 9.269 8.736 1.00 0.00 O ATOM 549 CB ASP A 38 -5.479 11.782 7.423 1.00 0.00 C ATOM 550 CG ASP A 38 -6.061 13.151 7.726 1.00 0.00 C ATOM 551 OD1 ASP A 38 -5.282 14.125 7.798 1.00 0.00 O ATOM 552 OD2 ASP A 38 -7.293 13.248 7.892 1.00 0.00 O ATOM 0 H ASP A 38 -3.296 12.623 6.533 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.205 11.883 9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.341 11.679 6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.189 11.013 7.728 1.00 0.00 H new ATOM 557 N LEU A 39 -2.754 9.645 7.487 1.00 0.00 N ATOM 558 CA LEU A 39 -2.397 8.229 7.441 1.00 0.00 C ATOM 559 C LEU A 39 -0.927 7.997 7.790 1.00 0.00 C ATOM 560 O LEU A 39 -0.515 6.862 8.041 1.00 0.00 O ATOM 561 CB LEU A 39 -2.715 7.650 6.059 1.00 0.00 C ATOM 562 CG LEU A 39 -1.849 8.167 4.909 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.661 7.247 4.675 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.678 8.297 3.643 1.00 0.00 C ATOM 0 H LEU A 39 -2.116 10.265 6.987 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.994 7.714 8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.613 6.566 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.759 7.862 5.828 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.469 9.152 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.058 7.633 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.054 7.200 5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.018 6.248 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.049 8.666 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.084 7.322 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.496 8.996 3.814 1.00 0.00 H new ATOM 576 N ILE A 40 -0.140 9.067 7.815 1.00 0.00 N ATOM 577 CA ILE A 40 1.277 8.956 8.141 1.00 0.00 C ATOM 578 C ILE A 40 1.469 8.498 9.584 1.00 0.00 C ATOM 579 O ILE A 40 0.752 8.928 10.487 1.00 0.00 O ATOM 580 CB ILE A 40 2.014 10.297 7.924 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.538 10.089 7.968 1.00 0.00 C ATOM 582 CG2 ILE A 40 1.564 11.334 8.945 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.144 10.175 9.355 1.00 0.00 C ATOM 0 H ILE A 40 -0.457 10.016 7.615 1.00 0.00 H new ATOM 0 HA ILE A 40 1.704 8.212 7.469 1.00 0.00 H new ATOM 0 HB ILE A 40 1.757 10.677 6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.771 9.113 7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.012 10.835 7.331 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.096 12.269 8.772 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.492 11.503 8.844 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.781 10.973 9.950 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.221 10.016 9.292 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.946 11.160 9.778 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.701 9.410 9.993 1.00 0.00 H new ATOM 595 N GLY A 41 2.445 7.616 9.791 1.00 0.00 N ATOM 596 CA GLY A 41 2.717 7.114 11.126 1.00 0.00 C ATOM 597 C GLY A 41 2.287 5.672 11.309 1.00 0.00 C ATOM 598 O GLY A 41 2.837 4.958 12.147 1.00 0.00 O ATOM 0 H GLY A 41 3.050 7.242 9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.784 7.199 11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.201 7.738 11.856 1.00 0.00 H new ATOM 602 N GLN A 42 1.303 5.241 10.526 1.00 0.00 N ATOM 603 CA GLN A 42 0.804 3.875 10.611 1.00 0.00 C ATOM 604 C GLN A 42 1.234 3.061 9.395 1.00 0.00 C ATOM 605 O GLN A 42 2.075 3.499 8.610 1.00 0.00 O ATOM 606 CB GLN A 42 -0.723 3.869 10.729 1.00 0.00 C ATOM 607 CG GLN A 42 -1.274 5.006 11.577 1.00 0.00 C ATOM 608 CD GLN A 42 -2.647 5.458 11.122 1.00 0.00 C ATOM 609 OE1 GLN A 42 -2.817 5.607 9.813 1.00 0.00 O flip ATOM 610 NE2 GLN A 42 -3.545 5.668 11.936 1.00 0.00 N flip ATOM 0 H GLN A 42 0.836 5.818 9.826 1.00 0.00 H new ATOM 0 HA GLN A 42 1.231 3.417 11.503 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.156 3.929 9.731 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.042 2.919 11.158 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.327 4.686 12.618 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.586 5.850 11.538 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.370 5.541 12.933 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.465 5.969 11.614 1.00 0.00 H new ATOM 619 N LYS A 43 0.654 1.874 9.245 1.00 0.00 N ATOM 620 CA LYS A 43 0.972 1.000 8.121 1.00 0.00 C ATOM 621 C LYS A 43 -0.204 0.929 7.152 1.00 0.00 C ATOM 622 O LYS A 43 -1.328 0.637 7.553 1.00 0.00 O ATOM 623 CB LYS A 43 1.324 -0.404 8.622 1.00 0.00 C ATOM 624 CG LYS A 43 2.373 -0.412 9.722 1.00 0.00 C ATOM 625 CD LYS A 43 1.738 -0.512 11.100 1.00 0.00 C ATOM 626 CE LYS A 43 2.020 -1.857 11.748 1.00 0.00 C ATOM 627 NZ LYS A 43 3.472 -2.053 12.012 1.00 0.00 N ATOM 0 H LYS A 43 -0.040 1.495 9.889 1.00 0.00 H new ATOM 0 HA LYS A 43 1.833 1.413 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.419 -0.887 8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.684 -1.000 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.052 -1.251 9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.971 0.497 9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.120 0.286 11.736 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.661 -0.366 11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.468 -1.932 12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.658 -2.655 11.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.594 -2.715 12.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.930 -2.441 11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.907 -1.140 12.254 1.00 0.00 H new ATOM 641 N LEU A 44 0.061 1.234 5.883 1.00 0.00 N ATOM 642 CA LEU A 44 -0.980 1.238 4.856 1.00 0.00 C ATOM 643 C LEU A 44 -1.879 0.000 4.922 1.00 0.00 C ATOM 644 O LEU A 44 -3.094 0.114 4.787 1.00 0.00 O ATOM 645 CB LEU A 44 -0.369 1.357 3.452 1.00 0.00 C ATOM 646 CG LEU A 44 1.102 0.947 3.319 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.277 -0.542 3.572 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.621 1.311 1.938 1.00 0.00 C ATOM 0 H LEU A 44 0.989 1.482 5.541 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.602 2.111 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.958 0.746 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.468 2.391 3.121 1.00 0.00 H new ATOM 0 HG LEU A 44 1.678 1.488 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.330 -0.807 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.937 -0.782 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.690 -1.106 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.667 1.016 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.035 0.791 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.534 2.387 1.789 1.00 0.00 H new ATOM 660 N THR A 45 -1.283 -1.175 5.100 1.00 0.00 N ATOM 661 CA THR A 45 -2.043 -2.429 5.147 1.00 0.00 C ATOM 662 C THR A 45 -3.179 -2.395 6.161 1.00 0.00 C ATOM 663 O THR A 45 -4.122 -3.182 6.065 1.00 0.00 O ATOM 664 CB THR A 45 -1.140 -3.627 5.448 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.336 -3.368 6.605 1.00 0.00 O ATOM 666 CG2 THR A 45 -0.260 -3.919 4.253 1.00 0.00 C ATOM 0 H THR A 45 -0.276 -1.290 5.215 1.00 0.00 H new ATOM 0 HA THR A 45 -2.477 -2.542 4.153 1.00 0.00 H new ATOM 0 HB THR A 45 -1.764 -4.497 5.650 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.235 -4.143 6.787 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.381 -4.773 4.473 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.884 -4.147 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.358 -3.048 4.035 1.00 0.00 H new ATOM 674 N GLN A 46 -3.105 -1.479 7.116 1.00 0.00 N ATOM 675 CA GLN A 46 -4.152 -1.354 8.119 1.00 0.00 C ATOM 676 C GLN A 46 -5.461 -0.998 7.433 1.00 0.00 C ATOM 677 O GLN A 46 -6.548 -1.260 7.947 1.00 0.00 O ATOM 678 CB GLN A 46 -3.787 -0.286 9.151 1.00 0.00 C ATOM 679 CG GLN A 46 -3.740 -0.808 10.576 1.00 0.00 C ATOM 680 CD GLN A 46 -2.341 -0.776 11.164 1.00 0.00 C ATOM 681 OE1 GLN A 46 -1.624 0.317 10.930 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -1.911 -1.723 11.823 1.00 0.00 N flip ATOM 0 H GLN A 46 -2.337 -0.816 7.217 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.261 -2.304 8.642 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.815 0.137 8.896 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.513 0.525 9.094 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.406 -0.211 11.200 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.115 -1.831 10.597 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.496 -2.544 11.978 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.969 -1.687 12.214 1.00 0.00 H new ATOM 691 N PHE A 47 -5.334 -0.385 6.265 1.00 0.00 N ATOM 692 CA PHE A 47 -6.486 0.031 5.482 1.00 0.00 C ATOM 693 C PHE A 47 -6.613 -0.815 4.217 1.00 0.00 C ATOM 694 O PHE A 47 -7.017 -0.323 3.165 1.00 0.00 O ATOM 695 CB PHE A 47 -6.369 1.514 5.112 1.00 0.00 C ATOM 696 CG PHE A 47 -5.327 2.265 5.899 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.427 2.381 7.277 1.00 0.00 C ATOM 698 CD2 PHE A 47 -4.249 2.853 5.259 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.471 3.071 8.001 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.290 3.543 5.975 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.400 3.651 7.348 1.00 0.00 C ATOM 0 H PHE A 47 -4.435 -0.164 5.837 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.381 -0.114 6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.135 1.595 4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.337 1.992 5.263 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.261 1.927 7.791 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.157 2.771 4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.562 3.156 9.074 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.455 3.997 5.462 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.650 4.188 7.910 1.00 0.00 H new ATOM 711 N PHE A 48 -6.270 -2.095 4.339 1.00 0.00 N ATOM 712 CA PHE A 48 -6.345 -3.029 3.219 1.00 0.00 C ATOM 713 C PHE A 48 -6.694 -4.431 3.718 1.00 0.00 C ATOM 714 O PHE A 48 -6.223 -4.851 4.774 1.00 0.00 O ATOM 715 CB PHE A 48 -5.021 -3.066 2.446 1.00 0.00 C ATOM 716 CG PHE A 48 -4.618 -1.740 1.857 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.395 -1.128 0.890 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.460 -1.108 2.270 1.00 0.00 C ATOM 719 CE1 PHE A 48 -5.029 0.089 0.350 1.00 0.00 C ATOM 720 CE2 PHE A 48 -3.085 0.109 1.733 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.872 0.708 0.772 1.00 0.00 C ATOM 0 H PHE A 48 -5.935 -2.511 5.208 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.129 -2.684 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.232 -3.410 3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.101 -3.799 1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.301 -1.609 0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.840 -1.572 3.023 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.648 0.555 -0.402 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.177 0.590 2.065 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.583 1.660 0.351 1.00 0.00 H new ATOM 731 N LEU A 49 -7.515 -5.142 2.942 1.00 0.00 N ATOM 732 CA LEU A 49 -7.942 -6.508 3.275 1.00 0.00 C ATOM 733 C LEU A 49 -8.312 -6.656 4.752 1.00 0.00 C ATOM 734 O LEU A 49 -9.476 -6.509 5.124 1.00 0.00 O ATOM 735 CB LEU A 49 -6.855 -7.524 2.897 1.00 0.00 C ATOM 736 CG LEU A 49 -5.625 -6.945 2.192 1.00 0.00 C ATOM 737 CD1 LEU A 49 -4.504 -6.691 3.190 1.00 0.00 C ATOM 738 CD2 LEU A 49 -5.148 -7.880 1.094 1.00 0.00 C ATOM 0 H LEU A 49 -7.903 -4.791 2.067 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.840 -6.711 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.526 -8.032 3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.299 -8.281 2.251 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.909 -5.995 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.639 -6.280 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.843 -5.982 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.226 -7.629 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.273 -7.451 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.885 -8.845 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.943 -8.016 0.361 1.00 0.00 H new ATOM 750 N ARG A 50 -7.320 -6.953 5.586 1.00 0.00 N ATOM 751 CA ARG A 50 -7.542 -7.122 7.019 1.00 0.00 C ATOM 752 C ARG A 50 -6.420 -6.466 7.816 1.00 0.00 C ATOM 753 O ARG A 50 -5.242 -6.749 7.598 1.00 0.00 O ATOM 754 CB ARG A 50 -7.645 -8.609 7.370 1.00 0.00 C ATOM 755 CG ARG A 50 -7.645 -8.890 8.866 1.00 0.00 C ATOM 756 CD ARG A 50 -9.030 -8.714 9.468 1.00 0.00 C ATOM 757 NE ARG A 50 -9.519 -9.947 10.083 1.00 0.00 N ATOM 758 CZ ARG A 50 -10.788 -10.146 10.432 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.693 -9.197 10.235 1.00 0.00 N ATOM 760 NH2 ARG A 50 -11.150 -11.298 10.983 1.00 0.00 N ATOM 0 H ARG A 50 -6.351 -7.082 5.293 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.481 -6.636 7.282 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.559 -9.013 6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.811 -9.140 6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.296 -9.907 9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.944 -8.220 9.363 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.002 -7.922 10.216 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.725 -8.395 8.691 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.850 -10.697 10.254 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.418 -8.309 9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.664 -9.355 10.504 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.456 -12.029 11.138 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.122 -11.452 11.251 1.00 0.00 H new ATOM 774 N SER A 51 -6.794 -5.578 8.733 1.00 0.00 N ATOM 775 CA SER A 51 -5.823 -4.865 9.555 1.00 0.00 C ATOM 776 C SER A 51 -5.481 -5.638 10.826 1.00 0.00 C ATOM 777 O SER A 51 -4.628 -5.213 11.606 1.00 0.00 O ATOM 778 CB SER A 51 -6.361 -3.485 9.928 1.00 0.00 C ATOM 779 OG SER A 51 -7.673 -3.575 10.459 1.00 0.00 O ATOM 0 H SER A 51 -7.766 -5.335 8.925 1.00 0.00 H new ATOM 0 HA SER A 51 -4.912 -4.760 8.966 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.700 -3.019 10.659 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.365 -2.843 9.047 1.00 0.00 H new ATOM 0 HG SER A 51 -7.994 -2.679 10.691 1.00 0.00 H new ATOM 785 N ASP A 52 -6.158 -6.761 11.041 1.00 0.00 N ATOM 786 CA ASP A 52 -5.924 -7.564 12.234 1.00 0.00 C ATOM 787 C ASP A 52 -4.863 -8.638 12.002 1.00 0.00 C ATOM 788 O ASP A 52 -3.757 -8.555 12.538 1.00 0.00 O ATOM 789 CB ASP A 52 -7.231 -8.217 12.689 1.00 0.00 C ATOM 790 CG ASP A 52 -7.953 -7.391 13.735 1.00 0.00 C ATOM 791 OD1 ASP A 52 -7.608 -7.512 14.930 1.00 0.00 O ATOM 792 OD2 ASP A 52 -8.866 -6.625 13.360 1.00 0.00 O ATOM 0 H ASP A 52 -6.868 -7.133 10.410 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.554 -6.896 13.012 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.883 -8.358 11.827 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.019 -9.207 13.094 1.00 0.00 H new ATOM 797 N SER A 53 -5.210 -9.655 11.220 1.00 0.00 N ATOM 798 CA SER A 53 -4.291 -10.756 10.944 1.00 0.00 C ATOM 799 C SER A 53 -3.484 -10.532 9.666 1.00 0.00 C ATOM 800 O SER A 53 -2.253 -10.494 9.702 1.00 0.00 O ATOM 801 CB SER A 53 -5.065 -12.071 10.842 1.00 0.00 C ATOM 802 OG SER A 53 -6.107 -11.979 9.886 1.00 0.00 O ATOM 0 H SER A 53 -6.119 -9.741 10.766 1.00 0.00 H new ATOM 0 HA SER A 53 -3.586 -10.803 11.774 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.384 -12.876 10.566 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.483 -12.327 11.816 1.00 0.00 H new ATOM 0 HG SER A 53 -6.585 -12.833 9.839 1.00 0.00 H new ATOM 808 N ASP A 54 -4.184 -10.417 8.540 1.00 0.00 N ATOM 809 CA ASP A 54 -3.544 -10.231 7.235 1.00 0.00 C ATOM 810 C ASP A 54 -2.434 -9.184 7.267 1.00 0.00 C ATOM 811 O ASP A 54 -1.523 -9.219 6.440 1.00 0.00 O ATOM 812 CB ASP A 54 -4.587 -9.846 6.185 1.00 0.00 C ATOM 813 CG ASP A 54 -4.936 -10.997 5.263 1.00 0.00 C ATOM 814 OD1 ASP A 54 -4.389 -12.103 5.458 1.00 0.00 O ATOM 815 OD2 ASP A 54 -5.757 -10.794 4.345 1.00 0.00 O ATOM 0 H ASP A 54 -5.203 -10.449 8.503 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.084 -11.183 6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.491 -9.499 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.211 -9.012 5.593 1.00 0.00 H new ATOM 820 N VAL A 55 -2.507 -8.252 8.207 1.00 0.00 N ATOM 821 CA VAL A 55 -1.497 -7.209 8.316 1.00 0.00 C ATOM 822 C VAL A 55 -0.135 -7.790 8.699 1.00 0.00 C ATOM 823 O VAL A 55 0.878 -7.497 8.065 1.00 0.00 O ATOM 824 CB VAL A 55 -1.914 -6.138 9.350 1.00 0.00 C ATOM 825 CG1 VAL A 55 -0.729 -5.693 10.200 1.00 0.00 C ATOM 826 CG2 VAL A 55 -2.547 -4.948 8.649 1.00 0.00 C ATOM 0 H VAL A 55 -3.251 -8.197 8.902 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.412 -6.740 7.335 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.650 -6.584 10.019 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.057 -4.940 10.916 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.323 -6.551 10.736 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.042 -5.270 9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.836 -4.201 9.389 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.830 -4.511 7.954 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.430 -5.276 8.101 1.00 0.00 H new ATOM 836 N VAL A 56 -0.122 -8.600 9.750 1.00 0.00 N ATOM 837 CA VAL A 56 1.110 -9.209 10.241 1.00 0.00 C ATOM 838 C VAL A 56 1.701 -10.195 9.237 1.00 0.00 C ATOM 839 O VAL A 56 2.889 -10.517 9.298 1.00 0.00 O ATOM 840 CB VAL A 56 0.865 -9.929 11.586 1.00 0.00 C ATOM 841 CG1 VAL A 56 0.482 -11.388 11.370 1.00 0.00 C ATOM 842 CG2 VAL A 56 2.087 -9.817 12.483 1.00 0.00 C ATOM 0 H VAL A 56 -0.955 -8.852 10.282 1.00 0.00 H new ATOM 0 HA VAL A 56 1.827 -8.400 10.385 1.00 0.00 H new ATOM 0 HB VAL A 56 0.028 -9.437 12.083 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.316 -11.867 12.335 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.431 -11.441 10.777 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.287 -11.901 10.843 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.895 -10.330 13.425 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.944 -10.274 11.989 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.299 -8.766 12.679 1.00 0.00 H new ATOM 852 N GLU A 57 0.868 -10.684 8.329 1.00 0.00 N ATOM 853 CA GLU A 57 1.311 -11.650 7.325 1.00 0.00 C ATOM 854 C GLU A 57 1.825 -10.959 6.065 1.00 0.00 C ATOM 855 O GLU A 57 2.900 -11.282 5.562 1.00 0.00 O ATOM 856 CB GLU A 57 0.175 -12.607 6.958 1.00 0.00 C ATOM 857 CG GLU A 57 -1.004 -12.570 7.918 1.00 0.00 C ATOM 858 CD GLU A 57 -1.144 -13.851 8.715 1.00 0.00 C ATOM 859 OE1 GLU A 57 -1.692 -14.832 8.171 1.00 0.00 O ATOM 860 OE2 GLU A 57 -0.705 -13.874 9.884 1.00 0.00 O ATOM 0 H GLU A 57 -0.118 -10.430 8.264 1.00 0.00 H new ATOM 0 HA GLU A 57 2.133 -12.216 7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.179 -12.366 5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.568 -13.623 6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.884 -11.731 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.921 -12.394 7.356 1.00 0.00 H new ATOM 867 N ALA A 58 1.040 -10.023 5.551 1.00 0.00 N ATOM 868 CA ALA A 58 1.401 -9.295 4.339 1.00 0.00 C ATOM 869 C ALA A 58 2.639 -8.427 4.548 1.00 0.00 C ATOM 870 O ALA A 58 3.520 -8.374 3.689 1.00 0.00 O ATOM 871 CB ALA A 58 0.232 -8.442 3.875 1.00 0.00 C ATOM 0 H ALA A 58 0.145 -9.748 5.955 1.00 0.00 H new ATOM 0 HA ALA A 58 1.640 -10.029 3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.512 -7.903 2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.625 -9.082 3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.030 -7.728 4.656 1.00 0.00 H new ATOM 1086 N PHE A 74 0.407 -8.961 -0.209 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.010 -7.581 -0.426 1.00 0.00 C ATOM 1088 C PHE A 74 0.728 -6.995 -1.632 1.00 0.00 C ATOM 1089 O PHE A 74 0.994 -5.795 -1.704 1.00 0.00 O ATOM 1090 CB PHE A 74 0.243 -6.744 0.836 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.264 -5.327 0.751 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.607 -5.054 0.513 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.613 -4.265 0.905 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -2.057 -3.750 0.433 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.167 -2.963 0.826 1.00 0.00 C ATOM 1096 CZ PHE A 74 -1.168 -2.704 0.591 1.00 0.00 C ATOM 0 HA PHE A 74 -1.079 -7.560 -0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.230 -7.237 1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.314 -6.723 1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.305 -5.869 0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.659 -4.460 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.102 -3.549 0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.862 -2.146 0.948 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.518 -1.684 0.531 1.00 0.00 H new ATOM 1106 N GLY A 75 1.045 -7.864 -2.585 1.00 0.00 N ATOM 1107 CA GLY A 75 1.734 -7.445 -3.793 1.00 0.00 C ATOM 1108 C GLY A 75 1.028 -7.959 -5.030 1.00 0.00 C ATOM 1109 O GLY A 75 1.646 -8.195 -6.067 1.00 0.00 O ATOM 0 H GLY A 75 0.835 -8.861 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.787 -6.357 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.760 -7.813 -3.777 1.00 0.00 H new ATOM 1113 N THR A 76 -0.283 -8.134 -4.899 1.00 0.00 N ATOM 1114 CA THR A 76 -1.123 -8.628 -5.981 1.00 0.00 C ATOM 1115 C THR A 76 -2.518 -8.023 -5.892 1.00 0.00 C ATOM 1116 O THR A 76 -2.878 -7.433 -4.872 1.00 0.00 O ATOM 1117 CB THR A 76 -1.241 -10.165 -5.941 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.222 -10.713 -5.096 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.121 -10.753 -7.339 1.00 0.00 C ATOM 0 H THR A 76 -0.792 -7.937 -4.038 1.00 0.00 H new ATOM 0 HA THR A 76 -0.652 -8.333 -6.919 1.00 0.00 H new ATOM 0 HB THR A 76 -2.221 -10.423 -5.539 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.305 -11.689 -5.075 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.207 -11.838 -7.286 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.916 -10.356 -7.970 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.153 -10.486 -7.764 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.308 -8.170 -6.952 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.664 -7.635 -6.952 1.00 0.00 C ATOM 1129 C VAL A 77 -5.485 -8.342 -5.876 1.00 0.00 C ATOM 1130 O VAL A 77 -5.881 -9.496 -6.033 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.345 -7.799 -8.328 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -5.169 -9.216 -8.855 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -6.821 -7.431 -8.247 1.00 0.00 C ATOM 0 H VAL A 77 -3.037 -8.649 -7.811 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.609 -6.567 -6.739 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.863 -7.117 -9.028 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.657 -9.307 -9.825 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.107 -9.435 -8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.617 -9.922 -8.156 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.281 -7.554 -9.228 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.319 -8.082 -7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.920 -6.394 -7.927 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.704 -7.645 -4.766 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.442 -8.199 -3.640 1.00 0.00 C ATOM 1145 C VAL A 78 -7.639 -7.336 -3.267 1.00 0.00 C ATOM 1146 O VAL A 78 -7.936 -6.343 -3.930 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.537 -8.319 -2.402 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.529 -9.442 -2.580 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.831 -6.996 -2.138 1.00 0.00 C ATOM 0 H VAL A 78 -5.378 -6.689 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.791 -9.183 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.158 -8.559 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.899 -9.509 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.056 -10.385 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.907 -9.238 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.193 -7.093 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.221 -6.730 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.573 -6.216 -1.964 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.307 -7.717 -2.184 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.459 -6.978 -1.693 1.00 0.00 C ATOM 1161 C ASP A 79 -9.026 -6.031 -0.584 1.00 0.00 C ATOM 1162 O ASP A 79 -8.542 -6.470 0.457 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.530 -7.939 -1.169 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.677 -8.115 -2.144 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -12.071 -7.117 -2.783 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -12.182 -9.251 -2.268 1.00 0.00 O ATOM 0 H ASP A 79 -8.067 -8.538 -1.628 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.883 -6.402 -2.516 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.076 -8.909 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.917 -7.565 -0.221 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.191 -4.736 -0.813 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.804 -3.741 0.172 1.00 0.00 C ATOM 1173 C ILE A 80 -10.020 -3.197 0.908 1.00 0.00 C ATOM 1174 O ILE A 80 -11.146 -3.279 0.419 1.00 0.00 O ATOM 1175 CB ILE A 80 -8.035 -2.571 -0.474 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.991 -1.628 -1.212 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.958 -3.104 -1.411 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.324 -0.374 -1.738 1.00 0.00 C ATOM 0 H ILE A 80 -9.589 -4.352 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.147 -4.241 0.883 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.550 -1.996 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.445 -2.164 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.799 -1.344 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.422 -2.269 -1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.259 -3.723 -0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.422 -3.703 -2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.063 0.244 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.894 0.185 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.535 -0.648 -2.438 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.779 -2.649 2.089 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.844 -2.093 2.906 1.00 0.00 C ATOM 1192 C ILE A 81 -10.449 -0.730 3.453 1.00 0.00 C ATOM 1193 O ILE A 81 -9.376 -0.572 4.025 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.177 -3.021 4.082 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -9.887 -3.510 4.737 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.016 -4.198 3.611 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.048 -3.847 6.202 1.00 0.00 C ATOM 0 H ILE A 81 -8.850 -2.578 2.504 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.722 -1.990 2.268 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.757 -2.464 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.530 -4.392 4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.120 -2.742 4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.243 -4.845 4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -12.946 -3.831 3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -11.462 -4.763 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.094 -4.188 6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.375 -2.961 6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.791 -4.636 6.314 1.00 0.00 H new ATOM 1209 N SER A 82 -11.325 0.250 3.287 1.00 0.00 N ATOM 1210 CA SER A 82 -11.053 1.590 3.779 1.00 0.00 C ATOM 1211 C SER A 82 -11.396 1.697 5.257 1.00 0.00 C ATOM 1212 O SER A 82 -12.093 0.844 5.803 1.00 0.00 O ATOM 1213 CB SER A 82 -11.839 2.628 2.977 1.00 0.00 C ATOM 1214 OG SER A 82 -12.880 3.196 3.753 1.00 0.00 O ATOM 0 H SER A 82 -12.225 0.143 2.818 1.00 0.00 H new ATOM 0 HA SER A 82 -9.989 1.789 3.654 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.165 3.414 2.637 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.259 2.161 2.086 1.00 0.00 H new ATOM 0 HG SER A 82 -13.365 3.857 3.216 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.880 2.739 5.897 1.00 0.00 N ATOM 1221 CA ARG A 83 -11.108 2.973 7.325 1.00 0.00 C ATOM 1222 C ARG A 83 -12.545 2.644 7.739 1.00 0.00 C ATOM 1223 O ARG A 83 -12.772 1.815 8.620 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.813 4.435 7.661 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.191 5.397 6.546 1.00 0.00 C ATOM 1226 CD ARG A 83 -12.479 6.137 6.855 1.00 0.00 C ATOM 1227 NE ARG A 83 -12.281 7.200 7.837 1.00 0.00 N ATOM 1228 CZ ARG A 83 -12.032 8.466 7.513 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -11.944 8.821 6.239 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -11.866 9.374 8.464 1.00 0.00 N ATOM 0 H ARG A 83 -10.295 3.444 5.448 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.438 2.312 7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.354 4.709 8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.751 4.543 7.880 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.385 6.116 6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.303 4.846 5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.881 6.564 5.936 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.221 5.432 7.230 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.337 6.958 8.826 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.067 8.123 5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.753 9.792 5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.929 9.102 9.445 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.675 10.344 8.215 1.00 0.00 H new ATOM 1244 N SER A 84 -13.504 3.313 7.108 1.00 0.00 N ATOM 1245 CA SER A 84 -14.921 3.114 7.419 1.00 0.00 C ATOM 1246 C SER A 84 -15.431 1.766 6.913 1.00 0.00 C ATOM 1247 O SER A 84 -16.516 1.324 7.292 1.00 0.00 O ATOM 1248 CB SER A 84 -15.755 4.246 6.814 1.00 0.00 C ATOM 1249 OG SER A 84 -17.046 3.791 6.444 1.00 0.00 O ATOM 0 H SER A 84 -13.328 4.001 6.375 1.00 0.00 H new ATOM 0 HA SER A 84 -15.024 3.122 8.504 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.846 5.059 7.534 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.245 4.650 5.940 1.00 0.00 H new ATOM 0 HG SER A 84 -17.558 4.534 6.062 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.650 1.120 6.058 1.00 0.00 N ATOM 1256 CA GLY A 85 -15.047 -0.167 5.516 1.00 0.00 C ATOM 1257 C GLY A 85 -15.741 -0.030 4.177 1.00 0.00 C ATOM 1258 O GLY A 85 -16.877 0.442 4.104 1.00 0.00 O ATOM 0 H GLY A 85 -13.748 1.463 5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.167 -0.800 5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.713 -0.667 6.220 1.00 0.00 H new ATOM 1262 N GLU A 86 -15.055 -0.430 3.112 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.610 -0.336 1.769 1.00 0.00 C ATOM 1264 C GLU A 86 -15.566 -1.683 1.055 1.00 0.00 C ATOM 1265 O GLU A 86 -16.550 -2.097 0.438 1.00 0.00 O ATOM 1266 CB GLU A 86 -14.844 0.722 0.967 1.00 0.00 C ATOM 1267 CG GLU A 86 -14.758 0.437 -0.525 1.00 0.00 C ATOM 1268 CD GLU A 86 -15.132 1.640 -1.370 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -14.256 2.502 -1.598 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -16.300 1.721 -1.803 1.00 0.00 O ATOM 0 H GLU A 86 -14.114 -0.822 3.154 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.656 -0.040 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.324 1.690 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.834 0.804 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.744 0.124 -0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.418 -0.395 -0.771 1.00 0.00 H new ATOM 1277 N LYS A 87 -14.420 -2.359 1.131 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.248 -3.657 0.482 1.00 0.00 C ATOM 1279 C LYS A 87 -14.395 -3.520 -1.030 1.00 0.00 C ATOM 1280 O LYS A 87 -15.507 -3.425 -1.549 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.271 -4.664 1.017 1.00 0.00 C ATOM 1282 CG LYS A 87 -14.709 -5.607 2.068 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.270 -5.297 3.447 1.00 0.00 C ATOM 1284 CE LYS A 87 -14.776 -6.291 4.485 1.00 0.00 C ATOM 1285 NZ LYS A 87 -15.870 -7.183 4.963 1.00 0.00 N ATOM 0 H LYS A 87 -13.597 -2.029 1.636 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.246 -4.021 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.114 -4.120 1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.659 -5.251 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.946 -6.636 1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.622 -5.525 2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.980 -4.288 3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.359 -5.318 3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.975 -6.895 4.058 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.351 -5.751 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.493 -7.846 5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.623 -6.609 5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.259 -7.717 4.160 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.264 -3.503 -1.735 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.275 -3.368 -3.188 1.00 0.00 C ATOM 1301 C ILE A 88 -12.056 -4.029 -3.826 1.00 0.00 C ATOM 1302 O ILE A 88 -10.935 -3.886 -3.335 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.307 -1.884 -3.614 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.428 -1.044 -2.682 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -14.735 -1.357 -3.621 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -12.124 0.338 -3.219 1.00 0.00 C ATOM 0 H ILE A 88 -12.334 -3.581 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.179 -3.869 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.911 -1.808 -4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -12.924 -0.948 -1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.490 -1.571 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -14.735 -0.310 -3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.334 -1.938 -4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.160 -1.445 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.498 0.875 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.599 0.251 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.056 0.884 -3.367 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.256 -4.753 -4.942 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.162 -5.422 -5.655 1.00 0.00 C ATOM 1320 C PRO A 89 -10.215 -4.415 -6.291 1.00 0.00 C ATOM 1321 O PRO A 89 -10.608 -3.646 -7.171 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.881 -6.239 -6.735 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.174 -5.531 -6.944 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.558 -4.966 -5.605 1.00 0.00 C ATOM 0 HA PRO A 89 -10.546 -6.030 -4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.298 -6.279 -7.655 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.040 -7.268 -6.413 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.070 -4.740 -7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.938 -6.215 -7.313 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.115 -4.035 -5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.188 -5.655 -5.043 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.966 -4.411 -5.836 1.00 0.00 N ATOM 1333 CA VAL A 90 -7.969 -3.485 -6.356 1.00 0.00 C ATOM 1334 C VAL A 90 -6.635 -4.184 -6.592 1.00 0.00 C ATOM 1335 O VAL A 90 -6.362 -5.239 -6.022 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.754 -2.301 -5.388 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -6.972 -1.185 -6.061 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -9.088 -1.782 -4.869 1.00 0.00 C ATOM 0 H VAL A 90 -8.622 -5.038 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.347 -3.109 -7.307 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.171 -2.660 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.834 -0.363 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.999 -1.561 -6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.522 -0.829 -6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.914 -0.948 -4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.698 -1.446 -5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.608 -2.580 -4.339 1.00 0.00 H new ATOM 1348 N SER A 91 -5.801 -3.570 -7.424 1.00 0.00 N ATOM 1349 CA SER A 91 -4.484 -4.111 -7.733 1.00 0.00 C ATOM 1350 C SER A 91 -3.435 -3.480 -6.831 1.00 0.00 C ATOM 1351 O SER A 91 -3.317 -2.255 -6.764 1.00 0.00 O ATOM 1352 CB SER A 91 -4.134 -3.861 -9.201 1.00 0.00 C ATOM 1353 OG SER A 91 -3.087 -4.717 -9.627 1.00 0.00 O ATOM 0 H SER A 91 -6.016 -2.693 -7.898 1.00 0.00 H new ATOM 0 HA SER A 91 -4.501 -5.187 -7.558 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.016 -4.023 -9.821 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.836 -2.821 -9.335 1.00 0.00 H new ATOM 0 HG SER A 91 -2.226 -4.353 -9.331 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.674 -4.315 -6.133 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.640 -3.825 -5.236 1.00 0.00 C ATOM 1361 C VAL A 92 -0.277 -4.387 -5.613 1.00 0.00 C ATOM 1362 O VAL A 92 -0.126 -5.591 -5.801 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.946 -4.193 -3.770 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.806 -3.760 -2.858 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.260 -3.570 -3.329 1.00 0.00 C ATOM 0 H VAL A 92 -2.755 -5.331 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.624 -2.740 -5.335 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.042 -5.276 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.042 -4.029 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.113 -4.260 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.673 -2.681 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.461 -3.840 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.196 -2.485 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.068 -3.937 -3.962 1.00 0.00 H new ATOM 1375 N TRP A 93 0.712 -3.508 -5.713 1.00 0.00 N ATOM 1376 CA TRP A 93 2.062 -3.932 -6.057 1.00 0.00 C ATOM 1377 C TRP A 93 3.096 -3.221 -5.191 1.00 0.00 C ATOM 1378 O TRP A 93 3.315 -2.018 -5.324 1.00 0.00 O ATOM 1379 CB TRP A 93 2.374 -3.704 -7.546 1.00 0.00 C ATOM 1380 CG TRP A 93 1.345 -2.917 -8.305 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.041 -3.258 -8.534 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.549 -1.663 -8.966 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.579 -2.285 -9.281 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.326 -1.296 -9.559 1.00 0.00 C ATOM 1385 CE3 TRP A 93 2.647 -0.810 -9.105 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.175 -0.118 -10.284 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 2.494 0.359 -9.824 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.267 0.697 -10.405 1.00 0.00 C ATOM 0 H TRP A 93 0.606 -2.505 -5.562 1.00 0.00 H new ATOM 0 HA TRP A 93 2.116 -5.003 -5.863 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.332 -3.189 -7.625 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.493 -4.674 -8.028 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.433 -4.161 -8.179 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.554 -2.298 -9.580 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.598 -1.060 -8.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.771 0.144 -10.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.337 1.024 -9.940 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.180 1.619 -10.960 1.00 0.00 H new ATOM 1399 N MET A 94 3.729 -3.986 -4.303 1.00 0.00 N ATOM 1400 CA MET A 94 4.745 -3.444 -3.409 1.00 0.00 C ATOM 1401 C MET A 94 6.142 -3.731 -3.948 1.00 0.00 C ATOM 1402 O MET A 94 6.437 -4.849 -4.369 1.00 0.00 O ATOM 1403 CB MET A 94 4.590 -4.039 -2.007 1.00 0.00 C ATOM 1404 CG MET A 94 5.025 -3.099 -0.895 1.00 0.00 C ATOM 1405 SD MET A 94 4.782 -3.802 0.749 1.00 0.00 S ATOM 1406 CE MET A 94 4.855 -2.328 1.767 1.00 0.00 C ATOM 0 H MET A 94 3.554 -4.984 -4.185 1.00 0.00 H new ATOM 0 HA MET A 94 4.611 -2.364 -3.351 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.547 -4.314 -1.851 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.174 -4.957 -1.944 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.078 -2.850 -1.027 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.465 -2.167 -0.973 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.782 -2.328 2.341 1.00 0.00 H new ATOM 0 HE2 MET A 94 4.822 -1.444 1.130 1.00 0.00 H new ATOM 0 HE3 MET A 94 4.005 -2.315 2.450 1.00 0.00 H new ATOM 1416 N LYS A 95 6.998 -2.715 -3.935 1.00 0.00 N ATOM 1417 CA LYS A 95 8.363 -2.859 -4.427 1.00 0.00 C ATOM 1418 C LYS A 95 9.355 -2.154 -3.507 1.00 0.00 C ATOM 1419 O LYS A 95 9.240 -0.954 -3.257 1.00 0.00 O ATOM 1420 CB LYS A 95 8.480 -2.300 -5.846 1.00 0.00 C ATOM 1421 CG LYS A 95 7.670 -1.033 -6.070 1.00 0.00 C ATOM 1422 CD LYS A 95 6.522 -1.271 -7.037 1.00 0.00 C ATOM 1423 CE LYS A 95 6.981 -1.169 -8.482 1.00 0.00 C ATOM 1424 NZ LYS A 95 7.239 -2.508 -9.080 1.00 0.00 N ATOM 0 H LYS A 95 6.771 -1.783 -3.589 1.00 0.00 H new ATOM 0 HA LYS A 95 8.603 -3.922 -4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.528 -2.094 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.153 -3.060 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.277 -0.678 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.319 -0.249 -6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.093 -2.257 -6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.733 -0.542 -6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.222 -0.650 -9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.889 -0.568 -8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.283 -2.423 -10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.143 -2.879 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.471 -3.159 -8.819 1.00 0.00 H new ATOM 1438 N ARG A 96 10.330 -2.908 -3.008 1.00 0.00 N ATOM 1439 CA ARG A 96 11.344 -2.360 -2.117 1.00 0.00 C ATOM 1440 C ARG A 96 12.469 -1.698 -2.902 1.00 0.00 C ATOM 1441 O ARG A 96 13.584 -2.217 -2.975 1.00 0.00 O ATOM 1442 CB ARG A 96 11.918 -3.454 -1.224 1.00 0.00 C ATOM 1443 CG ARG A 96 10.857 -4.286 -0.525 1.00 0.00 C ATOM 1444 CD ARG A 96 10.962 -5.755 -0.898 1.00 0.00 C ATOM 1445 NE ARG A 96 11.117 -6.608 0.277 1.00 0.00 N ATOM 1446 CZ ARG A 96 12.292 -7.025 0.739 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.415 -6.664 0.132 1.00 0.00 N ATOM 1448 NH2 ARG A 96 12.346 -7.803 1.812 1.00 0.00 N ATOM 0 H ARG A 96 10.438 -3.903 -3.207 1.00 0.00 H new ATOM 0 HA ARG A 96 10.863 -1.604 -1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.545 -4.111 -1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.563 -2.998 -0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.960 -4.176 0.554 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.868 -3.913 -0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.070 -6.054 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.811 -5.900 -1.566 1.00 0.00 H new ATOM 0 HE ARG A 96 10.275 -6.901 0.772 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.379 -6.064 -0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.314 -6.986 0.490 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.486 -8.082 2.284 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.248 -8.122 2.166 1.00 0.00 H new ATOM 1462 N MET A 97 12.168 -0.544 -3.469 1.00 0.00 N ATOM 1463 CA MET A 97 13.150 0.216 -4.235 1.00 0.00 C ATOM 1464 C MET A 97 13.834 1.233 -3.333 1.00 0.00 C ATOM 1465 O MET A 97 13.626 1.225 -2.122 1.00 0.00 O ATOM 1466 CB MET A 97 12.482 0.918 -5.421 1.00 0.00 C ATOM 1467 CG MET A 97 11.590 2.081 -5.017 1.00 0.00 C ATOM 1468 SD MET A 97 10.998 3.027 -6.432 1.00 0.00 S ATOM 1469 CE MET A 97 9.979 1.804 -7.257 1.00 0.00 C ATOM 0 H MET A 97 11.248 -0.107 -3.415 1.00 0.00 H new ATOM 0 HA MET A 97 13.900 -0.472 -4.625 1.00 0.00 H new ATOM 0 HB2 MET A 97 13.254 1.282 -6.099 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.888 0.191 -5.975 1.00 0.00 H new ATOM 0 HG2 MET A 97 10.736 1.701 -4.456 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.142 2.742 -4.348 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.295 1.709 -8.296 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.087 0.842 -6.755 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.935 2.117 -7.222 1.00 0.00 H new ATOM 1479 N ARG A 98 14.649 2.109 -3.913 1.00 0.00 N ATOM 1480 CA ARG A 98 15.349 3.118 -3.131 1.00 0.00 C ATOM 1481 C ARG A 98 15.029 4.519 -3.636 1.00 0.00 C ATOM 1482 O ARG A 98 15.256 4.838 -4.802 1.00 0.00 O ATOM 1483 CB ARG A 98 16.855 2.877 -3.174 1.00 0.00 C ATOM 1484 CG ARG A 98 17.305 1.738 -2.276 1.00 0.00 C ATOM 1485 CD ARG A 98 18.384 2.188 -1.305 1.00 0.00 C ATOM 1486 NE ARG A 98 19.683 1.595 -1.613 1.00 0.00 N ATOM 1487 CZ ARG A 98 20.601 2.181 -2.379 1.00 0.00 C ATOM 1488 NH1 ARG A 98 20.361 3.367 -2.921 1.00 0.00 N ATOM 1489 NH2 ARG A 98 21.759 1.576 -2.604 1.00 0.00 N ATOM 0 H ARG A 98 14.839 2.140 -4.915 1.00 0.00 H new ATOM 0 HA ARG A 98 15.008 3.039 -2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.153 2.661 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.371 3.790 -2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.451 1.353 -1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.683 0.919 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.466 3.275 -1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.094 1.917 -0.290 1.00 0.00 H new ATOM 0 HE ARG A 98 19.899 0.680 -1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.470 3.834 -2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.067 3.812 -3.507 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.946 0.663 -2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.463 2.024 -3.191 1.00 0.00 H new ATOM 1503 N GLN A 99 14.505 5.350 -2.744 1.00 0.00 N ATOM 1504 CA GLN A 99 14.154 6.724 -3.091 1.00 0.00 C ATOM 1505 C GLN A 99 15.246 7.690 -2.644 1.00 0.00 C ATOM 1506 O GLN A 99 15.420 8.758 -3.228 1.00 0.00 O ATOM 1507 CB GLN A 99 12.820 7.109 -2.450 1.00 0.00 C ATOM 1508 CG GLN A 99 11.687 6.148 -2.779 1.00 0.00 C ATOM 1509 CD GLN A 99 10.561 6.811 -3.548 1.00 0.00 C ATOM 1510 OE1 GLN A 99 9.381 6.868 -2.939 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.750 7.269 -4.675 1.00 0.00 N flip ATOM 0 H GLN A 99 14.313 5.098 -1.774 1.00 0.00 H new ATOM 0 HA GLN A 99 14.058 6.788 -4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.945 7.153 -1.368 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.543 8.110 -2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.080 5.316 -3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.292 5.729 -1.854 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.673 7.203 -5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.984 7.714 -5.180 1.00 0.00 H new ATOM 1520 N GLU A 100 15.978 7.304 -1.604 1.00 0.00 N ATOM 1521 CA GLU A 100 17.054 8.132 -1.076 1.00 0.00 C ATOM 1522 C GLU A 100 18.287 7.289 -0.761 1.00 0.00 C ATOM 1523 O GLU A 100 19.214 7.205 -1.566 1.00 0.00 O ATOM 1524 CB GLU A 100 16.589 8.871 0.180 1.00 0.00 C ATOM 1525 CG GLU A 100 15.807 10.140 -0.117 1.00 0.00 C ATOM 1526 CD GLU A 100 16.087 11.246 0.882 1.00 0.00 C ATOM 1527 OE1 GLU A 100 16.196 10.944 2.090 1.00 0.00 O ATOM 1528 OE2 GLU A 100 16.199 12.415 0.458 1.00 0.00 O ATOM 0 H GLU A 100 15.845 6.422 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 100 17.323 8.863 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.968 8.202 0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 100 17.459 9.123 0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.056 10.489 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.741 9.914 -0.114 1.00 0.00 H new ATOM 1535 N ARG A 101 18.286 6.666 0.411 1.00 0.00 N ATOM 1536 CA ARG A 101 19.402 5.827 0.833 1.00 0.00 C ATOM 1537 C ARG A 101 18.898 4.615 1.605 1.00 0.00 C ATOM 1538 O ARG A 101 19.682 3.781 2.054 1.00 0.00 O ATOM 1539 CB ARG A 101 20.374 6.630 1.697 1.00 0.00 C ATOM 1540 CG ARG A 101 19.717 7.279 2.904 1.00 0.00 C ATOM 1541 CD ARG A 101 20.591 7.166 4.144 1.00 0.00 C ATOM 1542 NE ARG A 101 20.534 8.372 4.964 1.00 0.00 N ATOM 1543 CZ ARG A 101 19.570 8.623 5.845 1.00 0.00 C ATOM 1544 NH1 ARG A 101 18.585 7.750 6.021 1.00 0.00 N ATOM 1545 NH2 ARG A 101 19.589 9.745 6.550 1.00 0.00 N ATOM 0 H ARG A 101 17.524 6.726 1.087 1.00 0.00 H new ATOM 0 HA ARG A 101 19.926 5.480 -0.058 1.00 0.00 H new ATOM 0 HB2 ARG A 101 21.173 5.972 2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.837 7.404 1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 101 19.520 8.330 2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.753 6.806 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.271 6.309 4.737 1.00 0.00 H new ATOM 0 HD3 ARG A 101 21.622 6.979 3.845 1.00 0.00 H new ATOM 0 HE ARG A 101 21.277 9.063 4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 101 18.567 6.885 5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.846 7.944 6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.344 10.418 6.417 1.00 0.00 H new ATOM 0 HH22 ARG A 101 18.849 9.936 7.225 1.00 0.00 H new ATOM 1559 N ARG A 102 17.580 4.530 1.757 1.00 0.00 N ATOM 1560 CA ARG A 102 16.962 3.423 2.477 1.00 0.00 C ATOM 1561 C ARG A 102 15.918 2.727 1.609 1.00 0.00 C ATOM 1562 O ARG A 102 15.111 3.383 0.950 1.00 0.00 O ATOM 1563 CB ARG A 102 16.317 3.930 3.772 1.00 0.00 C ATOM 1564 CG ARG A 102 15.353 2.940 4.414 1.00 0.00 C ATOM 1565 CD ARG A 102 13.919 3.453 4.396 1.00 0.00 C ATOM 1566 NE ARG A 102 13.742 4.562 3.461 1.00 0.00 N ATOM 1567 CZ ARG A 102 13.435 5.801 3.835 1.00 0.00 C ATOM 1568 NH1 ARG A 102 13.262 6.088 5.120 1.00 0.00 N ATOM 1569 NH2 ARG A 102 13.303 6.755 2.924 1.00 0.00 N ATOM 0 H ARG A 102 16.919 5.215 1.391 1.00 0.00 H new ATOM 0 HA ARG A 102 17.739 2.700 2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.103 4.171 4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 102 15.783 4.857 3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.405 1.988 3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.658 2.751 5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.247 2.639 4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.638 3.776 5.398 1.00 0.00 H new ATOM 0 HE ARG A 102 13.861 4.375 2.465 1.00 0.00 H new ATOM 0 HH11 ARG A 102 13.364 5.357 5.824 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.027 7.039 5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.437 6.539 1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.068 7.705 3.211 1.00 0.00 H new ATOM 1583 N LEU A 103 15.941 1.396 1.614 1.00 0.00 N ATOM 1584 CA LEU A 103 14.994 0.612 0.829 1.00 0.00 C ATOM 1585 C LEU A 103 13.561 0.978 1.199 1.00 0.00 C ATOM 1586 O LEU A 103 13.041 0.536 2.223 1.00 0.00 O ATOM 1587 CB LEU A 103 15.226 -0.883 1.051 1.00 0.00 C ATOM 1588 CG LEU A 103 15.871 -1.618 -0.124 1.00 0.00 C ATOM 1589 CD1 LEU A 103 17.361 -1.322 -0.187 1.00 0.00 C ATOM 1590 CD2 LEU A 103 15.629 -3.118 -0.013 1.00 0.00 C ATOM 0 H LEU A 103 16.605 0.840 2.153 1.00 0.00 H new ATOM 0 HA LEU A 103 15.152 0.840 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 103 15.857 -1.011 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.269 -1.355 1.274 1.00 0.00 H new ATOM 0 HG LEU A 103 15.411 -1.262 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.802 -1.854 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 103 17.514 -0.250 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 103 17.836 -1.649 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 103 16.095 -3.625 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 103 16.061 -3.489 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 103 14.557 -3.315 -0.018 1.00 0.00 H new ATOM 1602 N CYS A 104 12.935 1.801 0.366 1.00 0.00 N ATOM 1603 CA CYS A 104 11.568 2.243 0.606 1.00 0.00 C ATOM 1604 C CYS A 104 10.560 1.406 -0.176 1.00 0.00 C ATOM 1605 O CYS A 104 10.617 1.331 -1.405 1.00 0.00 O ATOM 1606 CB CYS A 104 11.418 3.716 0.227 1.00 0.00 C ATOM 1607 SG CYS A 104 11.173 4.820 1.637 1.00 0.00 S ATOM 0 H CYS A 104 13.355 2.176 -0.484 1.00 0.00 H new ATOM 0 HA CYS A 104 11.362 2.115 1.669 1.00 0.00 H new ATOM 0 HB2 CYS A 104 12.307 4.032 -0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 104 10.573 3.821 -0.454 1.00 0.00 H new ATOM 0 HG CYS A 104 10.142 4.425 2.323 1.00 0.00 H new ATOM 1613 N CYS A 105 9.629 0.794 0.547 1.00 0.00 N ATOM 1614 CA CYS A 105 8.589 -0.024 -0.062 1.00 0.00 C ATOM 1615 C CYS A 105 7.466 0.865 -0.597 1.00 0.00 C ATOM 1616 O CYS A 105 6.851 1.622 0.152 1.00 0.00 O ATOM 1617 CB CYS A 105 8.029 -1.007 0.966 1.00 0.00 C ATOM 1618 SG CYS A 105 8.036 -2.731 0.423 1.00 0.00 S ATOM 0 H CYS A 105 9.574 0.850 1.564 1.00 0.00 H new ATOM 0 HA CYS A 105 9.022 -0.584 -0.891 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.610 -0.925 1.885 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.006 -0.718 1.209 1.00 0.00 H new ATOM 0 HG CYS A 105 6.887 -3.276 0.693 1.00 0.00 H new ATOM 1624 N VAL A 106 7.203 0.767 -1.898 1.00 0.00 N ATOM 1625 CA VAL A 106 6.156 1.561 -2.530 1.00 0.00 C ATOM 1626 C VAL A 106 4.970 0.688 -2.933 1.00 0.00 C ATOM 1627 O VAL A 106 5.148 -0.404 -3.471 1.00 0.00 O ATOM 1628 CB VAL A 106 6.691 2.303 -3.773 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.550 2.886 -4.598 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.668 3.395 -3.362 1.00 0.00 C ATOM 0 H VAL A 106 7.702 0.145 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 106 5.824 2.295 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 106 7.219 1.581 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.957 3.403 -5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.892 2.082 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.984 3.591 -3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 106 8.035 3.908 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.162 4.110 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.507 2.950 -2.827 1.00 0.00 H new ATOM 1640 N VAL A 107 3.762 1.181 -2.678 1.00 0.00 N ATOM 1641 CA VAL A 107 2.543 0.458 -3.017 1.00 0.00 C ATOM 1642 C VAL A 107 1.629 1.330 -3.874 1.00 0.00 C ATOM 1643 O VAL A 107 1.365 2.485 -3.537 1.00 0.00 O ATOM 1644 CB VAL A 107 1.790 0.009 -1.742 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.280 0.114 -1.914 1.00 0.00 C ATOM 1646 CG2 VAL A 107 2.184 -1.410 -1.366 1.00 0.00 C ATOM 0 H VAL A 107 3.602 2.085 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 107 2.827 -0.429 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 107 2.077 0.682 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.214 -0.210 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.009 1.148 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.037 -0.521 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.646 -1.711 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.932 -2.086 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.257 -1.452 -1.178 1.00 0.00 H new ATOM 1656 N VAL A 108 1.151 0.776 -4.981 1.00 0.00 N ATOM 1657 CA VAL A 108 0.269 1.513 -5.876 1.00 0.00 C ATOM 1658 C VAL A 108 -1.041 0.768 -6.100 1.00 0.00 C ATOM 1659 O VAL A 108 -1.055 -0.339 -6.641 1.00 0.00 O ATOM 1660 CB VAL A 108 0.941 1.791 -7.234 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.174 2.856 -8.002 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.391 2.209 -7.037 1.00 0.00 C ATOM 0 H VAL A 108 1.358 -0.177 -5.280 1.00 0.00 H new ATOM 0 HA VAL A 108 0.056 2.466 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 108 0.927 0.872 -7.819 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.664 3.039 -8.958 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.846 2.515 -8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.154 3.779 -7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.849 2.401 -8.007 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.430 3.115 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.934 1.411 -6.531 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.139 1.378 -5.665 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.461 0.778 -5.797 1.00 0.00 C ATOM 1674 C LEU A 109 -4.143 1.215 -7.090 1.00 0.00 C ATOM 1675 O LEU A 109 -4.224 2.405 -7.391 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.313 1.163 -4.590 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.537 1.252 -3.274 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.207 2.226 -2.318 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -3.408 -0.124 -2.641 1.00 0.00 C ATOM 0 H LEU A 109 -2.138 2.293 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.349 -0.306 -5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.785 2.126 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.114 0.432 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.536 1.626 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.638 2.273 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.242 3.216 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.221 1.888 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.854 -0.044 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.401 -0.527 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.877 -0.789 -3.322 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.637 0.239 -7.850 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.319 0.514 -9.112 1.00 0.00 C ATOM 1693 C GLU A 110 -6.634 -0.257 -9.190 1.00 0.00 C ATOM 1694 O GLU A 110 -6.643 -1.487 -9.157 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.422 0.141 -10.294 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.680 0.973 -11.541 1.00 0.00 C ATOM 1697 CD GLU A 110 -4.081 2.364 -11.452 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -3.092 2.538 -10.707 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -4.600 3.279 -12.125 1.00 0.00 O ATOM 0 H GLU A 110 -4.577 -0.751 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.537 1.581 -9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.379 0.258 -9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.570 -0.912 -10.533 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.266 0.458 -12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.755 1.055 -11.702 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.770 0.456 -9.299 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.093 -0.171 -9.379 1.00 0.00 C ATOM 1708 C PRO A 111 -9.204 -1.145 -10.547 1.00 0.00 C ATOM 1709 O PRO A 111 -8.766 -0.849 -11.660 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.056 1.010 -9.568 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.199 2.161 -9.976 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.854 1.925 -9.351 1.00 0.00 C ATOM 0 HA PRO A 111 -9.308 -0.765 -8.491 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.804 0.788 -10.329 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.594 1.229 -8.646 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.119 2.221 -11.061 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.626 3.104 -9.636 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.050 2.355 -9.948 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.786 2.369 -8.358 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.791 -2.310 -10.285 1.00 0.00 N ATOM 1721 CA VAL A 112 -9.960 -3.328 -11.316 1.00 0.00 C ATOM 1722 C VAL A 112 -11.014 -2.911 -12.335 1.00 0.00 C ATOM 1723 O VAL A 112 -11.818 -2.017 -12.080 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.355 -4.687 -10.706 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.280 -5.173 -9.747 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -11.701 -4.591 -10.006 1.00 0.00 C ATOM 0 H VAL A 112 -10.157 -2.571 -9.369 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.998 -3.432 -11.818 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.446 -5.413 -11.514 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.576 -6.134 -9.326 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.338 -5.286 -10.284 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.155 -4.448 -8.943 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.961 -5.561 -9.583 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.644 -3.850 -9.208 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.464 -4.293 -10.725 1.00 0.00 H new