USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 867 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 108 CYS SG : rot 88:sc= 0.497 USER MOD Set 1.2: A 121 MET CE :methyl -164:sc= -4.44! (180deg=-3.83!) USER MOD Set 2.1: A 33 LYS NZ :NH3+ -156:sc= 1.01 (180deg=0.375) USER MOD Set 2.2: A 37 LYS NZ :NH3+ 180:sc= -4.17! (180deg=-4.15!) USER MOD Set 3.1: A 23 ASN :FLIP amide:sc= 0.548 F(o=-1.6,f=1.1) USER MOD Set 3.2: A 24 SER OG : rot -64:sc= 0.171 USER MOD Set 3.3: A 26 THR OG1 : rot 6:sc= 0.372 USER MOD Set 4.1: A 13 LYS NZ :NH3+ 146:sc= -1.35! (180deg=-4.94!) USER MOD Set 4.2: A 65 TYR OH : rot 180:sc= 0.981 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 143:sc= -0.517 (180deg=-2.37) USER MOD Single : A 21 THR OG1 : rot -37:sc= 0.0794 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -149:sc= -2.35! (180deg=-3.18!) USER MOD Single : A 46 SER OG : rot 80:sc= -2.6! USER MOD Single : A 49 LYS NZ :NH3+ -142:sc= -0.0244 (180deg=-0.223) USER MOD Single : A 52 MET CE :methyl -156:sc= -2.29! (180deg=-3.71!) USER MOD Single : A 59 LYS NZ :NH3+ 141:sc= -0.0378 (180deg=-1.24) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -4.1! USER MOD Single : A 86 SER OG : rot 120:sc= -1.92! USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 121:sc= 1.51 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= -5.43! C(o=-8.3!,f=-5.4!) USER MOD Single : A 106 GLN : amide:sc=-0.000479 X(o=-0.00048,f=-0.28) USER MOD Single : A 109 LYS NZ :NH3+ 167:sc= -0.0481 (180deg=-0.295) USER MOD Single : A 117 HIS : no HD1:sc= -0.159 K(o=-0.16,f=-1.3) USER MOD Single : A 123 LYS NZ :NH3+ 159:sc= -1.16 (180deg=-2.6) USER MOD Single : A 127 GLN :FLIP amide:sc= -2.57 F(o=-6.1!,f=-2.6) USER MOD Single : A 129 ASN :FLIP amide:sc= -1.98! C(o=-7.7!,f=-2!) USER MOD Single : A 132 GLN :FLIP amide:sc= -1.78 F(o=-4.6!,f=-1.8) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 MET CE :methyl 148:sc= -0.689 (180deg=-3.48!) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 12 2.169 -12.199 6.174 1.00 0.00 N ATOM 161 CA LEU A 12 1.649 -10.841 6.037 1.00 0.00 C ATOM 162 C LEU A 12 2.623 -9.901 5.332 1.00 0.00 C ATOM 163 O LEU A 12 2.205 -8.880 4.787 1.00 0.00 O ATOM 164 CB LEU A 12 1.295 -10.299 7.426 1.00 0.00 C ATOM 165 CG LEU A 12 0.166 -11.044 8.144 1.00 0.00 C ATOM 166 CD1 LEU A 12 -0.042 -10.479 9.540 1.00 0.00 C ATOM 167 CD2 LEU A 12 -1.124 -10.965 7.341 1.00 0.00 C ATOM 0 HA LEU A 12 0.759 -10.887 5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.187 -10.333 8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.014 -9.250 7.329 1.00 0.00 H new ATOM 0 HG LEU A 12 0.451 -12.092 8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.848 -11.020 10.035 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.876 -10.588 10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.304 -9.423 9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.914 -11.500 7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.413 -9.921 7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.971 -11.417 6.361 1.00 0.00 H new ATOM 179 N LYS A 13 3.909 -10.240 5.317 1.00 0.00 N ATOM 180 CA LYS A 13 4.887 -9.397 4.639 1.00 0.00 C ATOM 181 C LYS A 13 4.508 -9.285 3.170 1.00 0.00 C ATOM 182 O LYS A 13 4.382 -8.185 2.621 1.00 0.00 O ATOM 183 CB LYS A 13 6.304 -9.961 4.778 1.00 0.00 C ATOM 184 CG LYS A 13 7.333 -9.207 3.949 1.00 0.00 C ATOM 185 CD LYS A 13 8.727 -9.813 4.067 1.00 0.00 C ATOM 186 CE LYS A 13 9.372 -9.512 5.415 1.00 0.00 C ATOM 187 NZ LYS A 13 8.657 -10.166 6.544 1.00 0.00 N ATOM 0 H LYS A 13 4.292 -11.076 5.758 1.00 0.00 H new ATOM 0 HA LYS A 13 4.881 -8.410 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.599 -9.931 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.302 -11.009 4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.026 -9.209 2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.363 -8.166 4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.665 -10.892 3.928 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.359 -9.425 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.409 -9.848 5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.388 -8.434 5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.342 -10.440 7.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.965 -9.503 6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.163 -11.013 6.198 1.00 0.00 H new ATOM 201 N GLU A 14 4.291 -10.439 2.553 1.00 0.00 N ATOM 202 CA GLU A 14 3.885 -10.490 1.162 1.00 0.00 C ATOM 203 C GLU A 14 2.539 -9.794 1.009 1.00 0.00 C ATOM 204 O GLU A 14 2.244 -9.203 -0.029 1.00 0.00 O ATOM 205 CB GLU A 14 3.796 -11.942 0.688 1.00 0.00 C ATOM 206 CG GLU A 14 3.275 -12.091 -0.731 1.00 0.00 C ATOM 207 CD GLU A 14 3.215 -13.538 -1.186 1.00 0.00 C ATOM 208 OE1 GLU A 14 3.586 -14.428 -0.391 1.00 0.00 O ATOM 209 OE2 GLU A 14 2.799 -13.780 -2.337 1.00 0.00 O ATOM 0 H GLU A 14 4.391 -11.351 2.998 1.00 0.00 H new ATOM 0 HA GLU A 14 4.626 -9.979 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.784 -12.397 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.145 -12.496 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.279 -11.653 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.916 -11.528 -1.410 1.00 0.00 H new ATOM 216 N LEU A 15 1.732 -9.862 2.069 1.00 0.00 N ATOM 217 CA LEU A 15 0.421 -9.233 2.078 1.00 0.00 C ATOM 218 C LEU A 15 0.553 -7.715 2.084 1.00 0.00 C ATOM 219 O LEU A 15 -0.297 -7.007 1.545 1.00 0.00 O ATOM 220 CB LEU A 15 -0.388 -9.690 3.289 1.00 0.00 C ATOM 221 CG LEU A 15 -1.823 -9.161 3.338 1.00 0.00 C ATOM 222 CD1 LEU A 15 -2.578 -9.544 2.076 1.00 0.00 C ATOM 223 CD2 LEU A 15 -2.545 -9.684 4.570 1.00 0.00 C ATOM 0 H LEU A 15 1.969 -10.350 2.933 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.104 -9.536 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.417 -10.780 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.131 -9.376 4.195 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.784 -8.073 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.596 -9.159 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.075 -9.119 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.605 -10.630 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.564 -9.297 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.571 -10.773 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.018 -9.358 5.467 1.00 0.00 H new ATOM 235 N PHE A 16 1.632 -7.220 2.683 1.00 0.00 N ATOM 236 CA PHE A 16 1.872 -5.785 2.732 1.00 0.00 C ATOM 237 C PHE A 16 2.175 -5.254 1.345 1.00 0.00 C ATOM 238 O PHE A 16 1.591 -4.267 0.898 1.00 0.00 O ATOM 239 CB PHE A 16 3.050 -5.442 3.641 1.00 0.00 C ATOM 240 CG PHE A 16 3.554 -4.049 3.392 1.00 0.00 C ATOM 241 CD1 PHE A 16 2.744 -2.954 3.651 1.00 0.00 C ATOM 242 CD2 PHE A 16 4.813 -3.835 2.854 1.00 0.00 C ATOM 243 CE1 PHE A 16 3.181 -1.674 3.379 1.00 0.00 C ATOM 244 CE2 PHE A 16 5.257 -2.555 2.587 1.00 0.00 C ATOM 245 CZ PHE A 16 4.439 -1.475 2.846 1.00 0.00 C ATOM 0 H PHE A 16 2.348 -7.787 3.137 1.00 0.00 H new ATOM 0 HA PHE A 16 0.967 -5.324 3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.746 -5.539 4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.857 -6.156 3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.760 -3.105 4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.454 -4.678 2.641 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.540 -0.829 3.583 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.244 -2.400 2.176 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.783 -0.474 2.632 1.00 0.00 H new ATOM 255 N LYS A 17 3.096 -5.925 0.670 1.00 0.00 N ATOM 256 CA LYS A 17 3.487 -5.534 -0.671 1.00 0.00 C ATOM 257 C LYS A 17 2.403 -5.956 -1.633 1.00 0.00 C ATOM 258 O LYS A 17 2.349 -5.516 -2.782 1.00 0.00 O ATOM 259 CB LYS A 17 4.836 -6.146 -1.047 1.00 0.00 C ATOM 260 CG LYS A 17 4.876 -7.662 -0.938 1.00 0.00 C ATOM 261 CD LYS A 17 6.215 -8.217 -1.397 1.00 0.00 C ATOM 262 CE LYS A 17 6.259 -9.731 -1.281 1.00 0.00 C ATOM 263 NZ LYS A 17 7.552 -10.289 -1.760 1.00 0.00 N ATOM 0 H LYS A 17 3.586 -6.743 1.032 1.00 0.00 H new ATOM 0 HA LYS A 17 3.607 -4.452 -0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.082 -5.858 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.607 -5.725 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.692 -7.959 0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.076 -8.093 -1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.396 -7.925 -2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.015 -7.782 -0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.102 -10.020 -0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.442 -10.163 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.540 -11.324 -1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.690 -10.036 -2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.331 -9.897 -1.193 1.00 0.00 H new ATOM 277 N MET A 18 1.513 -6.792 -1.121 1.00 0.00 N ATOM 278 CA MET A 18 0.382 -7.266 -1.886 1.00 0.00 C ATOM 279 C MET A 18 -0.541 -6.089 -2.182 1.00 0.00 C ATOM 280 O MET A 18 -1.226 -6.058 -3.204 1.00 0.00 O ATOM 281 CB MET A 18 -0.348 -8.378 -1.112 1.00 0.00 C ATOM 282 CG MET A 18 -1.862 -8.349 -1.242 1.00 0.00 C ATOM 283 SD MET A 18 -2.434 -8.549 -2.942 1.00 0.00 S ATOM 284 CE MET A 18 -1.589 -10.054 -3.415 1.00 0.00 C ATOM 0 H MET A 18 1.558 -7.156 -0.169 1.00 0.00 H new ATOM 0 HA MET A 18 0.717 -7.692 -2.832 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.015 -9.345 -1.461 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.085 -8.301 -0.057 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.288 -9.141 -0.627 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.236 -7.404 -0.849 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.239 -10.650 -4.055 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.676 -9.804 -3.956 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.336 -10.625 -2.522 1.00 0.00 H new ATOM 294 N ILE A 19 -0.529 -5.106 -1.285 1.00 0.00 N ATOM 295 CA ILE A 19 -1.346 -3.916 -1.458 1.00 0.00 C ATOM 296 C ILE A 19 -0.677 -2.925 -2.405 1.00 0.00 C ATOM 297 O ILE A 19 -1.273 -2.513 -3.399 1.00 0.00 O ATOM 298 CB ILE A 19 -1.644 -3.212 -0.119 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.324 -4.186 0.859 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.505 -1.980 -0.360 1.00 0.00 C ATOM 301 CD1 ILE A 19 -3.143 -3.517 1.948 1.00 0.00 C ATOM 0 H ILE A 19 0.036 -5.113 -0.436 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.290 -4.252 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.706 -2.889 0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.973 -4.855 0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.558 -4.805 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.711 -1.488 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.977 -1.290 -1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.445 -2.278 -0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.585 -4.278 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.498 -2.870 2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.935 -2.921 1.494 1.00 0.00 H new ATOM 313 N ASP A 20 0.564 -2.544 -2.096 1.00 0.00 N ATOM 314 CA ASP A 20 1.301 -1.603 -2.926 1.00 0.00 C ATOM 315 C ASP A 20 1.953 -2.300 -4.101 1.00 0.00 C ATOM 316 O ASP A 20 3.178 -2.348 -4.229 1.00 0.00 O ATOM 317 CB ASP A 20 2.332 -0.854 -2.092 1.00 0.00 C ATOM 318 CG ASP A 20 3.068 -1.753 -1.121 1.00 0.00 C ATOM 319 OD1 ASP A 20 3.773 -2.675 -1.583 1.00 0.00 O ATOM 320 OD2 ASP A 20 2.937 -1.538 0.102 1.00 0.00 O ATOM 0 H ASP A 20 1.075 -2.875 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 20 0.593 -0.878 -3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.053 -0.377 -2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.835 -0.058 -1.537 1.00 0.00 H new ATOM 325 N THR A 21 1.105 -2.861 -4.940 1.00 0.00 N ATOM 326 CA THR A 21 1.541 -3.599 -6.111 1.00 0.00 C ATOM 327 C THR A 21 1.874 -2.676 -7.284 1.00 0.00 C ATOM 328 O THR A 21 2.441 -3.123 -8.281 1.00 0.00 O ATOM 329 CB THR A 21 0.440 -4.575 -6.515 1.00 0.00 C ATOM 330 OG1 THR A 21 0.940 -5.564 -7.399 1.00 0.00 O ATOM 331 CG2 THR A 21 -0.735 -3.906 -7.198 1.00 0.00 C ATOM 0 H THR A 21 0.092 -2.818 -4.830 1.00 0.00 H new ATOM 0 HA THR A 21 2.455 -4.136 -5.856 1.00 0.00 H new ATOM 0 HB THR A 21 0.095 -5.018 -5.581 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.596 -5.160 -8.004 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.481 -4.657 -7.458 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.178 -3.173 -6.524 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.393 -3.406 -8.104 1.00 0.00 H new ATOM 339 N ASP A 22 1.506 -1.400 -7.182 1.00 0.00 N ATOM 340 CA ASP A 22 1.769 -0.465 -8.274 1.00 0.00 C ATOM 341 C ASP A 22 2.258 0.901 -7.793 1.00 0.00 C ATOM 342 O ASP A 22 2.706 1.713 -8.603 1.00 0.00 O ATOM 343 CB ASP A 22 0.509 -0.288 -9.125 1.00 0.00 C ATOM 344 CG ASP A 22 -0.650 0.304 -8.344 1.00 0.00 C ATOM 345 OD1 ASP A 22 -0.456 0.655 -7.163 1.00 0.00 O ATOM 346 OD2 ASP A 22 -1.751 0.423 -8.920 1.00 0.00 O ATOM 0 H ASP A 22 1.035 -0.996 -6.373 1.00 0.00 H new ATOM 0 HA ASP A 22 2.572 -0.900 -8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.737 0.357 -9.973 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.211 -1.255 -9.531 1.00 0.00 H new ATOM 351 N ASN A 23 2.170 1.174 -6.492 1.00 0.00 N ATOM 352 CA ASN A 23 2.608 2.467 -5.976 1.00 0.00 C ATOM 353 C ASN A 23 4.130 2.580 -5.994 1.00 0.00 C ATOM 354 O ASN A 23 4.707 3.169 -6.909 1.00 0.00 O ATOM 355 CB ASN A 23 2.093 2.707 -4.554 1.00 0.00 C ATOM 356 CG ASN A 23 2.245 4.152 -4.129 1.00 0.00 C ATOM 357 OD1 ASN A 23 3.050 4.385 -3.102 1.00 0.00 O flip ATOM 358 ND2 ASN A 23 1.650 5.051 -4.723 1.00 0.00 N flip ATOM 0 H ASN A 23 1.807 0.530 -5.789 1.00 0.00 H new ATOM 0 HA ASN A 23 2.188 3.230 -6.632 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.043 2.421 -4.496 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.636 2.066 -3.859 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.040 4.826 -5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.767 6.021 -4.429 1.00 0.00 H new ATOM 365 N SER A 24 4.770 2.017 -4.973 1.00 0.00 N ATOM 366 CA SER A 24 6.222 2.055 -4.856 1.00 0.00 C ATOM 367 C SER A 24 6.686 1.247 -3.651 1.00 0.00 C ATOM 368 O SER A 24 7.866 1.253 -3.300 1.00 0.00 O ATOM 369 CB SER A 24 6.693 3.502 -4.715 1.00 0.00 C ATOM 370 OG SER A 24 6.056 4.132 -3.617 1.00 0.00 O ATOM 0 H SER A 24 4.301 1.527 -4.211 1.00 0.00 H new ATOM 0 HA SER A 24 6.652 1.617 -5.757 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.774 3.526 -4.577 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.476 4.051 -5.631 1.00 0.00 H new ATOM 0 HG SER A 24 5.092 4.187 -3.786 1.00 0.00 H new ATOM 376 N GLY A 25 5.738 0.580 -3.000 1.00 0.00 N ATOM 377 CA GLY A 25 6.043 -0.192 -1.818 1.00 0.00 C ATOM 378 C GLY A 25 5.449 0.451 -0.582 1.00 0.00 C ATOM 379 O GLY A 25 5.874 0.186 0.542 1.00 0.00 O ATOM 0 H GLY A 25 4.756 0.563 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.653 -1.204 -1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.124 -0.278 -1.704 1.00 0.00 H new ATOM 383 N THR A 26 4.441 1.292 -0.808 1.00 0.00 N ATOM 384 CA THR A 26 3.746 1.980 0.269 1.00 0.00 C ATOM 385 C THR A 26 2.249 2.003 -0.007 1.00 0.00 C ATOM 386 O THR A 26 1.816 1.958 -1.159 1.00 0.00 O ATOM 387 CB THR A 26 4.268 3.402 0.438 1.00 0.00 C ATOM 388 OG1 THR A 26 4.092 4.151 -0.750 1.00 0.00 O ATOM 389 CG2 THR A 26 5.731 3.464 0.809 1.00 0.00 C ATOM 0 H THR A 26 4.088 1.512 -1.739 1.00 0.00 H new ATOM 0 HA THR A 26 3.932 1.437 1.196 1.00 0.00 H new ATOM 0 HB THR A 26 3.685 3.824 1.257 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.579 3.623 -1.397 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.036 4.505 0.913 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.889 2.943 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.325 2.988 0.028 1.00 0.00 H new ATOM 397 N ILE A 27 1.468 2.022 1.059 1.00 0.00 N ATOM 398 CA ILE A 27 0.021 1.989 0.943 1.00 0.00 C ATOM 399 C ILE A 27 -0.623 3.339 1.192 1.00 0.00 C ATOM 400 O ILE A 27 -0.783 3.759 2.325 1.00 0.00 O ATOM 401 CB ILE A 27 -0.534 0.996 1.959 1.00 0.00 C ATOM 402 CG1 ILE A 27 0.247 -0.313 1.852 1.00 0.00 C ATOM 403 CG2 ILE A 27 -2.024 0.780 1.744 1.00 0.00 C ATOM 404 CD1 ILE A 27 -0.447 -1.492 2.484 1.00 0.00 C ATOM 0 H ILE A 27 1.813 2.060 2.018 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.213 1.695 -0.080 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.414 1.395 2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.428 -0.532 0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.222 -0.183 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.398 0.068 2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.549 1.728 1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.194 0.388 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.170 -2.383 2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.604 -1.296 3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.410 -1.651 1.998 1.00 0.00 H new ATOM 416 N THR A 28 -1.036 4.003 0.133 1.00 0.00 N ATOM 417 CA THR A 28 -1.682 5.294 0.285 1.00 0.00 C ATOM 418 C THR A 28 -3.180 5.166 0.079 1.00 0.00 C ATOM 419 O THR A 28 -3.642 4.173 -0.448 1.00 0.00 O ATOM 420 CB THR A 28 -1.082 6.299 -0.694 1.00 0.00 C ATOM 421 OG1 THR A 28 -1.294 5.887 -2.033 1.00 0.00 O ATOM 422 CG2 THR A 28 0.407 6.482 -0.499 1.00 0.00 C ATOM 0 H THR A 28 -0.939 3.679 -0.829 1.00 0.00 H new ATOM 0 HA THR A 28 -1.511 5.656 1.299 1.00 0.00 H new ATOM 0 HB THR A 28 -1.586 7.245 -0.495 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.903 6.546 -2.644 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.782 7.207 -1.221 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.600 6.843 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.913 5.528 -0.646 1.00 0.00 H new ATOM 430 N PHE A 29 -3.925 6.165 0.531 1.00 0.00 N ATOM 431 CA PHE A 29 -5.384 6.176 0.434 1.00 0.00 C ATOM 432 C PHE A 29 -5.876 5.486 -0.846 1.00 0.00 C ATOM 433 O PHE A 29 -6.907 4.815 -0.835 1.00 0.00 O ATOM 434 CB PHE A 29 -5.869 7.630 0.468 1.00 0.00 C ATOM 435 CG PHE A 29 -7.358 7.784 0.465 1.00 0.00 C ATOM 436 CD1 PHE A 29 -8.064 7.824 -0.724 1.00 0.00 C ATOM 437 CD2 PHE A 29 -8.049 7.901 1.656 1.00 0.00 C ATOM 438 CE1 PHE A 29 -9.434 7.976 -0.724 1.00 0.00 C ATOM 439 CE2 PHE A 29 -9.418 8.052 1.665 1.00 0.00 C ATOM 440 CZ PHE A 29 -10.115 8.089 0.473 1.00 0.00 C ATOM 0 H PHE A 29 -3.536 6.995 0.978 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.793 5.620 1.278 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.467 8.114 1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.459 8.157 -0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.536 7.735 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.509 7.874 2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.975 8.007 -1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.946 8.141 2.603 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.189 8.206 0.477 1.00 0.00 H new ATOM 450 N ASP A 30 -5.132 5.644 -1.937 1.00 0.00 N ATOM 451 CA ASP A 30 -5.498 5.020 -3.209 1.00 0.00 C ATOM 452 C ASP A 30 -5.145 3.530 -3.204 1.00 0.00 C ATOM 453 O ASP A 30 -5.920 2.698 -3.678 1.00 0.00 O ATOM 454 CB ASP A 30 -4.790 5.727 -4.369 1.00 0.00 C ATOM 455 CG ASP A 30 -5.216 5.201 -5.727 1.00 0.00 C ATOM 456 OD1 ASP A 30 -6.097 4.317 -5.777 1.00 0.00 O ATOM 457 OD2 ASP A 30 -4.670 5.678 -6.745 1.00 0.00 O ATOM 0 H ASP A 30 -4.275 6.196 -1.968 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.576 5.117 -3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.997 6.796 -4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.712 5.605 -4.259 1.00 0.00 H new ATOM 462 N GLU A 31 -3.979 3.199 -2.653 1.00 0.00 N ATOM 463 CA GLU A 31 -3.529 1.814 -2.572 1.00 0.00 C ATOM 464 C GLU A 31 -4.239 1.064 -1.458 1.00 0.00 C ATOM 465 O GLU A 31 -4.441 -0.146 -1.550 1.00 0.00 O ATOM 466 CB GLU A 31 -2.039 1.755 -2.325 1.00 0.00 C ATOM 467 CG GLU A 31 -1.403 0.505 -2.895 1.00 0.00 C ATOM 468 CD GLU A 31 -1.420 0.477 -4.412 1.00 0.00 C ATOM 469 OE1 GLU A 31 -1.878 1.466 -5.022 1.00 0.00 O ATOM 470 OE2 GLU A 31 -0.969 -0.534 -4.988 1.00 0.00 O ATOM 0 H GLU A 31 -3.327 3.875 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.767 1.342 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.566 2.632 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.850 1.797 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.373 0.436 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.928 -0.371 -2.514 1.00 0.00 H new ATOM 477 N LEU A 32 -4.604 1.792 -0.408 1.00 0.00 N ATOM 478 CA LEU A 32 -5.277 1.215 0.740 1.00 0.00 C ATOM 479 C LEU A 32 -6.314 0.209 0.274 1.00 0.00 C ATOM 480 O LEU A 32 -6.386 -0.922 0.753 1.00 0.00 O ATOM 481 CB LEU A 32 -5.952 2.310 1.557 1.00 0.00 C ATOM 482 CG LEU A 32 -6.168 1.978 3.039 1.00 0.00 C ATOM 483 CD1 LEU A 32 -7.209 0.882 3.210 1.00 0.00 C ATOM 484 CD2 LEU A 32 -4.856 1.561 3.687 1.00 0.00 C ATOM 0 H LEU A 32 -4.440 2.796 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.541 0.710 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.350 3.216 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.919 2.534 1.106 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.536 2.877 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.341 0.668 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.157 1.212 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.876 -0.020 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.027 1.329 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.464 0.679 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.136 2.376 3.608 1.00 0.00 H new ATOM 496 N LYS A 33 -7.106 0.661 -0.683 1.00 0.00 N ATOM 497 CA LYS A 33 -8.163 -0.145 -1.283 1.00 0.00 C ATOM 498 C LYS A 33 -7.632 -1.014 -2.415 1.00 0.00 C ATOM 499 O LYS A 33 -8.152 -2.099 -2.668 1.00 0.00 O ATOM 500 CB LYS A 33 -9.264 0.766 -1.818 1.00 0.00 C ATOM 501 CG LYS A 33 -8.744 2.056 -2.438 1.00 0.00 C ATOM 502 CD LYS A 33 -9.814 2.779 -3.246 1.00 0.00 C ATOM 503 CE LYS A 33 -11.186 2.668 -2.600 1.00 0.00 C ATOM 504 NZ LYS A 33 -12.215 3.448 -3.344 1.00 0.00 N ATOM 0 H LYS A 33 -7.036 1.602 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.562 -0.801 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.843 0.222 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.946 1.013 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.380 2.715 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.895 1.830 -3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.544 3.830 -3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.852 2.362 -4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.484 1.620 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.133 3.025 -1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.997 3.691 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.788 4.321 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.579 2.878 -4.134 1.00 0.00 H new ATOM 518 N ASP A 34 -6.604 -0.526 -3.101 1.00 0.00 N ATOM 519 CA ASP A 34 -6.014 -1.253 -4.220 1.00 0.00 C ATOM 520 C ASP A 34 -5.779 -2.718 -3.868 1.00 0.00 C ATOM 521 O ASP A 34 -6.101 -3.608 -4.650 1.00 0.00 O ATOM 522 CB ASP A 34 -4.698 -0.601 -4.638 1.00 0.00 C ATOM 523 CG ASP A 34 -4.099 -1.234 -5.880 1.00 0.00 C ATOM 524 OD1 ASP A 34 -3.779 -2.440 -5.840 1.00 0.00 O ATOM 525 OD2 ASP A 34 -3.952 -0.521 -6.895 1.00 0.00 O ATOM 0 H ASP A 34 -6.161 0.371 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.717 -1.212 -5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.865 0.460 -4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.984 -0.674 -3.818 1.00 0.00 H new ATOM 530 N GLY A 35 -5.212 -2.957 -2.690 1.00 0.00 N ATOM 531 CA GLY A 35 -4.937 -4.318 -2.261 1.00 0.00 C ATOM 532 C GLY A 35 -6.193 -5.153 -2.096 1.00 0.00 C ATOM 533 O GLY A 35 -6.199 -6.344 -2.409 1.00 0.00 O ATOM 0 H GLY A 35 -4.938 -2.234 -2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.282 -4.797 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.397 -4.293 -1.314 1.00 0.00 H new ATOM 537 N LEU A 36 -7.257 -4.532 -1.598 1.00 0.00 N ATOM 538 CA LEU A 36 -8.522 -5.229 -1.385 1.00 0.00 C ATOM 539 C LEU A 36 -9.218 -5.546 -2.702 1.00 0.00 C ATOM 540 O LEU A 36 -9.492 -6.708 -3.002 1.00 0.00 O ATOM 541 CB LEU A 36 -9.445 -4.401 -0.493 1.00 0.00 C ATOM 542 CG LEU A 36 -9.081 -4.378 0.995 1.00 0.00 C ATOM 543 CD1 LEU A 36 -9.118 -5.782 1.574 1.00 0.00 C ATOM 544 CD2 LEU A 36 -7.715 -3.744 1.214 1.00 0.00 C ATOM 0 H LEU A 36 -7.269 -3.547 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.295 -6.173 -0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.454 -3.376 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.460 -4.785 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.821 -3.769 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.857 -5.746 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.120 -6.196 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.404 -6.413 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.482 -3.741 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.958 -4.317 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.725 -2.720 0.842 1.00 0.00 H new ATOM 556 N LYS A 37 -9.501 -4.512 -3.489 1.00 0.00 N ATOM 557 CA LYS A 37 -10.163 -4.700 -4.777 1.00 0.00 C ATOM 558 C LYS A 37 -9.352 -5.602 -5.654 1.00 0.00 C ATOM 559 O LYS A 37 -9.879 -6.257 -6.553 1.00 0.00 O ATOM 560 CB LYS A 37 -10.348 -3.376 -5.507 1.00 0.00 C ATOM 561 CG LYS A 37 -11.406 -2.518 -4.895 1.00 0.00 C ATOM 562 CD LYS A 37 -10.943 -1.965 -3.576 1.00 0.00 C ATOM 563 CE LYS A 37 -11.853 -0.853 -3.102 1.00 0.00 C ATOM 564 NZ LYS A 37 -11.963 0.236 -4.109 1.00 0.00 N ATOM 0 H LYS A 37 -9.284 -3.542 -3.260 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.138 -5.141 -4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.403 -2.833 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.604 -3.573 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.654 -1.700 -5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.316 -3.100 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.919 -2.762 -2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.924 -1.589 -3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.844 -1.257 -2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.472 -0.445 -2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.595 0.980 -3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.021 0.639 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.350 -0.148 -4.995 1.00 0.00 H new ATOM 578 N ARG A 38 -8.059 -5.607 -5.414 1.00 0.00 N ATOM 579 CA ARG A 38 -7.184 -6.402 -6.215 1.00 0.00 C ATOM 580 C ARG A 38 -7.578 -7.873 -6.133 1.00 0.00 C ATOM 581 O ARG A 38 -7.710 -8.550 -7.153 1.00 0.00 O ATOM 582 CB ARG A 38 -5.729 -6.207 -5.789 1.00 0.00 C ATOM 583 CG ARG A 38 -4.727 -6.990 -6.620 1.00 0.00 C ATOM 584 CD ARG A 38 -3.303 -6.730 -6.154 1.00 0.00 C ATOM 585 NE ARG A 38 -2.318 -7.469 -6.941 1.00 0.00 N ATOM 586 CZ ARG A 38 -2.236 -8.797 -6.966 1.00 0.00 C ATOM 587 NH1 ARG A 38 -3.073 -9.531 -6.246 1.00 0.00 N ATOM 588 NH2 ARG A 38 -1.314 -9.391 -7.711 1.00 0.00 N ATOM 0 H ARG A 38 -7.603 -5.071 -4.675 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.278 -6.077 -7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.484 -5.147 -5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.626 -6.500 -4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.946 -8.055 -6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.825 -6.712 -7.669 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.091 -5.663 -6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.210 -7.009 -5.105 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.655 -6.936 -7.504 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.783 -9.078 -5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.007 -10.549 -6.268 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.667 -8.830 -8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.252 -10.409 -7.730 1.00 0.00 H new ATOM 602 N VAL A 39 -7.758 -8.361 -4.908 1.00 0.00 N ATOM 603 CA VAL A 39 -8.132 -9.749 -4.678 1.00 0.00 C ATOM 604 C VAL A 39 -9.618 -9.977 -4.952 1.00 0.00 C ATOM 605 O VAL A 39 -10.069 -11.116 -5.068 1.00 0.00 O ATOM 606 CB VAL A 39 -7.822 -10.171 -3.225 1.00 0.00 C ATOM 607 CG1 VAL A 39 -6.434 -9.702 -2.818 1.00 0.00 C ATOM 608 CG2 VAL A 39 -8.873 -9.630 -2.267 1.00 0.00 C ATOM 0 H VAL A 39 -7.649 -7.810 -4.057 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.544 -10.355 -5.367 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.847 -11.260 -3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.233 -10.008 -1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.691 -10.145 -3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.382 -8.616 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.633 -9.941 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.888 -8.541 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.853 -10.020 -2.544 1.00 0.00 H new ATOM 618 N GLY A 40 -10.375 -8.886 -5.055 1.00 0.00 N ATOM 619 CA GLY A 40 -11.800 -8.994 -5.314 1.00 0.00 C ATOM 620 C GLY A 40 -12.649 -8.337 -4.240 1.00 0.00 C ATOM 621 O GLY A 40 -13.815 -8.019 -4.476 1.00 0.00 O ATOM 0 H GLY A 40 -10.027 -7.932 -4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.024 -8.536 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.071 -10.047 -5.390 1.00 0.00 H new ATOM 625 N SER A 41 -12.069 -8.133 -3.059 1.00 0.00 N ATOM 626 CA SER A 41 -12.776 -7.512 -1.950 1.00 0.00 C ATOM 627 C SER A 41 -13.335 -6.149 -2.353 1.00 0.00 C ATOM 628 O SER A 41 -12.808 -5.500 -3.256 1.00 0.00 O ATOM 629 CB SER A 41 -11.825 -7.363 -0.765 1.00 0.00 C ATOM 630 OG SER A 41 -11.326 -8.623 -0.349 1.00 0.00 O ATOM 0 H SER A 41 -11.105 -8.392 -2.849 1.00 0.00 H new ATOM 0 HA SER A 41 -13.615 -8.148 -1.667 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.995 -6.713 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.345 -6.883 0.064 1.00 0.00 H new ATOM 0 HG SER A 41 -10.718 -8.500 0.410 1.00 0.00 H new ATOM 636 N GLU A 42 -14.408 -5.719 -1.688 1.00 0.00 N ATOM 637 CA GLU A 42 -15.023 -4.434 -2.003 1.00 0.00 C ATOM 638 C GLU A 42 -15.282 -3.597 -0.746 1.00 0.00 C ATOM 639 O GLU A 42 -16.213 -3.856 0.018 1.00 0.00 O ATOM 640 CB GLU A 42 -16.326 -4.640 -2.787 1.00 0.00 C ATOM 641 CG GLU A 42 -17.387 -5.447 -2.046 1.00 0.00 C ATOM 642 CD GLU A 42 -16.959 -6.877 -1.769 1.00 0.00 C ATOM 643 OE1 GLU A 42 -16.691 -7.617 -2.739 1.00 0.00 O ATOM 644 OE2 GLU A 42 -16.891 -7.255 -0.580 1.00 0.00 O ATOM 0 H GLU A 42 -14.863 -6.237 -0.936 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.318 -3.880 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -16.741 -3.665 -3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -16.095 -5.143 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -17.617 -4.953 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -18.305 -5.456 -2.634 1.00 0.00 H new ATOM 651 N LEU A 43 -14.437 -2.592 -0.547 1.00 0.00 N ATOM 652 CA LEU A 43 -14.526 -1.695 0.590 1.00 0.00 C ATOM 653 C LEU A 43 -14.812 -0.262 0.133 1.00 0.00 C ATOM 654 O LEU A 43 -14.704 0.047 -1.054 1.00 0.00 O ATOM 655 CB LEU A 43 -13.231 -1.783 1.391 1.00 0.00 C ATOM 656 CG LEU A 43 -11.934 -1.447 0.642 1.00 0.00 C ATOM 657 CD1 LEU A 43 -11.967 -0.046 0.067 1.00 0.00 C ATOM 658 CD2 LEU A 43 -10.743 -1.597 1.573 1.00 0.00 C ATOM 0 H LEU A 43 -13.665 -2.378 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.357 -1.994 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.314 -1.113 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.143 -2.795 1.786 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.839 -2.146 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.032 0.155 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.799 0.041 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.094 0.676 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.827 -1.357 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.855 -0.919 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.692 -2.624 1.936 1.00 0.00 H new ATOM 670 N MET A 44 -15.169 0.613 1.072 1.00 0.00 N ATOM 671 CA MET A 44 -15.456 2.007 0.749 1.00 0.00 C ATOM 672 C MET A 44 -14.360 2.921 1.295 1.00 0.00 C ATOM 673 O MET A 44 -13.552 2.502 2.122 1.00 0.00 O ATOM 674 CB MET A 44 -16.819 2.421 1.309 1.00 0.00 C ATOM 675 CG MET A 44 -16.932 2.296 2.819 1.00 0.00 C ATOM 676 SD MET A 44 -18.561 2.782 3.425 1.00 0.00 S ATOM 677 CE MET A 44 -18.368 2.510 5.184 1.00 0.00 C ATOM 0 H MET A 44 -15.266 0.380 2.060 1.00 0.00 H new ATOM 0 HA MET A 44 -15.483 2.106 -0.336 1.00 0.00 H new ATOM 0 HB2 MET A 44 -17.018 3.454 1.025 1.00 0.00 H new ATOM 0 HB3 MET A 44 -17.592 1.808 0.845 1.00 0.00 H new ATOM 0 HG2 MET A 44 -16.730 1.266 3.112 1.00 0.00 H new ATOM 0 HG3 MET A 44 -16.171 2.917 3.291 1.00 0.00 H new ATOM 0 HE1 MET A 44 -19.327 2.225 5.615 1.00 0.00 H new ATOM 0 HE2 MET A 44 -17.643 1.713 5.352 1.00 0.00 H new ATOM 0 HE3 MET A 44 -18.015 3.426 5.657 1.00 0.00 H new ATOM 687 N GLU A 45 -14.333 4.165 0.819 1.00 0.00 N ATOM 688 CA GLU A 45 -13.325 5.133 1.251 1.00 0.00 C ATOM 689 C GLU A 45 -13.217 5.214 2.765 1.00 0.00 C ATOM 690 O GLU A 45 -12.126 5.063 3.306 1.00 0.00 O ATOM 691 CB GLU A 45 -13.607 6.517 0.666 1.00 0.00 C ATOM 692 CG GLU A 45 -13.215 6.649 -0.798 1.00 0.00 C ATOM 693 CD GLU A 45 -14.142 5.898 -1.736 1.00 0.00 C ATOM 694 OE1 GLU A 45 -14.175 4.653 -1.674 1.00 0.00 O ATOM 695 OE2 GLU A 45 -14.838 6.561 -2.533 1.00 0.00 O ATOM 0 H GLU A 45 -14.997 4.526 0.134 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.367 4.779 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.669 6.737 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.068 7.265 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.209 7.704 -1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.198 6.279 -0.930 1.00 0.00 H new ATOM 702 N SER A 46 -14.321 5.485 3.461 1.00 0.00 N ATOM 703 CA SER A 46 -14.285 5.601 4.914 1.00 0.00 C ATOM 704 C SER A 46 -13.553 4.437 5.570 1.00 0.00 C ATOM 705 O SER A 46 -13.024 4.582 6.671 1.00 0.00 O ATOM 706 CB SER A 46 -15.699 5.689 5.476 1.00 0.00 C ATOM 707 OG SER A 46 -15.667 5.767 6.888 1.00 0.00 O ATOM 0 H SER A 46 -15.241 5.627 3.045 1.00 0.00 H new ATOM 0 HA SER A 46 -13.736 6.515 5.143 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.205 6.565 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.274 4.816 5.167 1.00 0.00 H new ATOM 0 HG SER A 46 -15.462 6.686 7.160 1.00 0.00 H new ATOM 713 N GLU A 47 -13.492 3.291 4.894 1.00 0.00 N ATOM 714 CA GLU A 47 -12.783 2.142 5.439 1.00 0.00 C ATOM 715 C GLU A 47 -11.287 2.417 5.396 1.00 0.00 C ATOM 716 O GLU A 47 -10.541 2.048 6.303 1.00 0.00 O ATOM 717 CB GLU A 47 -13.127 0.870 4.661 1.00 0.00 C ATOM 718 CG GLU A 47 -14.552 0.395 4.890 1.00 0.00 C ATOM 719 CD GLU A 47 -14.856 -0.913 4.187 1.00 0.00 C ATOM 720 OE1 GLU A 47 -14.148 -1.907 4.453 1.00 0.00 O ATOM 721 OE2 GLU A 47 -15.807 -0.947 3.378 1.00 0.00 O ATOM 0 H GLU A 47 -13.919 3.137 3.981 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.091 1.985 6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.978 1.051 3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.436 0.078 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.723 0.275 5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.246 1.160 4.540 1.00 0.00 H new ATOM 728 N ILE A 48 -10.874 3.102 4.337 1.00 0.00 N ATOM 729 CA ILE A 48 -9.486 3.487 4.143 1.00 0.00 C ATOM 730 C ILE A 48 -9.054 4.493 5.197 1.00 0.00 C ATOM 731 O ILE A 48 -8.136 4.245 5.982 1.00 0.00 O ATOM 732 CB ILE A 48 -9.285 4.119 2.749 1.00 0.00 C ATOM 733 CG1 ILE A 48 -9.315 3.046 1.678 1.00 0.00 C ATOM 734 CG2 ILE A 48 -7.975 4.887 2.690 1.00 0.00 C ATOM 735 CD1 ILE A 48 -10.657 2.386 1.516 1.00 0.00 C ATOM 0 H ILE A 48 -11.496 3.406 3.588 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.881 2.584 4.228 1.00 0.00 H new ATOM 0 HB ILE A 48 -10.100 4.819 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -9.021 3.488 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.573 2.285 1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.854 5.324 1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.984 5.680 3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.146 4.208 2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.599 1.631 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.946 1.913 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -11.400 3.135 1.243 1.00 0.00 H new ATOM 747 N LYS A 49 -9.736 5.630 5.204 1.00 0.00 N ATOM 748 CA LYS A 49 -9.451 6.692 6.149 1.00 0.00 C ATOM 749 C LYS A 49 -9.502 6.165 7.572 1.00 0.00 C ATOM 750 O LYS A 49 -8.784 6.643 8.449 1.00 0.00 O ATOM 751 CB LYS A 49 -10.470 7.814 5.983 1.00 0.00 C ATOM 752 CG LYS A 49 -10.207 9.015 6.871 1.00 0.00 C ATOM 753 CD LYS A 49 -11.351 10.010 6.801 1.00 0.00 C ATOM 754 CE LYS A 49 -11.570 10.504 5.380 1.00 0.00 C ATOM 755 NZ LYS A 49 -10.326 11.075 4.794 1.00 0.00 N ATOM 0 H LYS A 49 -10.497 5.838 4.558 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.450 7.075 5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.474 8.137 4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.465 7.424 6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.070 8.686 7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.280 9.500 6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.264 9.543 7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.139 10.857 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.919 9.679 4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.354 11.261 5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.565 11.905 4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.682 11.361 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.862 10.359 4.200 1.00 0.00 H new ATOM 769 N ASP A 50 -10.353 5.171 7.785 1.00 0.00 N ATOM 770 CA ASP A 50 -10.502 4.568 9.103 1.00 0.00 C ATOM 771 C ASP A 50 -9.269 3.752 9.450 1.00 0.00 C ATOM 772 O ASP A 50 -8.739 3.841 10.555 1.00 0.00 O ATOM 773 CB ASP A 50 -11.745 3.681 9.151 1.00 0.00 C ATOM 774 CG ASP A 50 -11.950 3.047 10.512 1.00 0.00 C ATOM 775 OD1 ASP A 50 -12.109 3.797 11.498 1.00 0.00 O ATOM 776 OD2 ASP A 50 -11.951 1.800 10.593 1.00 0.00 O ATOM 0 H ASP A 50 -10.950 4.765 7.064 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.616 5.367 9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.622 4.275 8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.659 2.898 8.398 1.00 0.00 H new ATOM 781 N LEU A 51 -8.810 2.963 8.490 1.00 0.00 N ATOM 782 CA LEU A 51 -7.634 2.135 8.683 1.00 0.00 C ATOM 783 C LEU A 51 -6.390 3.003 8.851 1.00 0.00 C ATOM 784 O LEU A 51 -5.348 2.535 9.308 1.00 0.00 O ATOM 785 CB LEU A 51 -7.454 1.194 7.491 1.00 0.00 C ATOM 786 CG LEU A 51 -6.281 0.225 7.613 1.00 0.00 C ATOM 787 CD1 LEU A 51 -6.567 -0.829 8.671 1.00 0.00 C ATOM 788 CD2 LEU A 51 -5.984 -0.428 6.272 1.00 0.00 C ATOM 0 H LEU A 51 -9.237 2.880 7.567 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.772 1.544 9.588 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.370 0.619 7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.320 1.793 6.590 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.400 0.789 7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.720 -1.511 8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.726 -0.344 9.634 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.460 -1.389 8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.145 -1.115 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.862 -0.978 5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.732 0.340 5.541 1.00 0.00 H new ATOM 800 N MET A 52 -6.503 4.269 8.464 1.00 0.00 N ATOM 801 CA MET A 52 -5.389 5.201 8.558 1.00 0.00 C ATOM 802 C MET A 52 -5.292 5.852 9.939 1.00 0.00 C ATOM 803 O MET A 52 -4.284 5.727 10.628 1.00 0.00 O ATOM 804 CB MET A 52 -5.528 6.284 7.494 1.00 0.00 C ATOM 805 CG MET A 52 -5.319 5.783 6.076 1.00 0.00 C ATOM 806 SD MET A 52 -3.670 5.099 5.817 1.00 0.00 S ATOM 807 CE MET A 52 -3.723 4.740 4.064 1.00 0.00 C ATOM 0 H MET A 52 -7.358 4.673 8.081 1.00 0.00 H new ATOM 0 HA MET A 52 -4.475 4.630 8.396 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.520 6.729 7.569 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.808 7.076 7.699 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.064 5.020 5.851 1.00 0.00 H new ATOM 0 HG3 MET A 52 -5.482 6.604 5.377 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.000 3.958 3.831 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.723 4.403 3.792 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.478 5.640 3.501 1.00 0.00 H new ATOM 817 N ASP A 53 -6.327 6.572 10.331 1.00 0.00 N ATOM 818 CA ASP A 53 -6.312 7.261 11.619 1.00 0.00 C ATOM 819 C ASP A 53 -6.539 6.300 12.779 1.00 0.00 C ATOM 820 O ASP A 53 -5.929 6.441 13.838 1.00 0.00 O ATOM 821 CB ASP A 53 -7.370 8.365 11.652 1.00 0.00 C ATOM 822 CG ASP A 53 -8.778 7.818 11.780 1.00 0.00 C ATOM 823 OD1 ASP A 53 -9.195 7.035 10.902 1.00 0.00 O ATOM 824 OD2 ASP A 53 -9.464 8.168 12.763 1.00 0.00 O ATOM 0 H ASP A 53 -7.181 6.697 9.788 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.323 7.704 11.734 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.166 9.034 12.488 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.297 8.961 10.742 1.00 0.00 H new ATOM 829 N ALA A 54 -7.434 5.340 12.587 1.00 0.00 N ATOM 830 CA ALA A 54 -7.752 4.383 13.636 1.00 0.00 C ATOM 831 C ALA A 54 -6.752 3.223 13.704 1.00 0.00 C ATOM 832 O ALA A 54 -6.689 2.524 14.715 1.00 0.00 O ATOM 833 CB ALA A 54 -9.161 3.843 13.443 1.00 0.00 C ATOM 0 H ALA A 54 -7.950 5.204 11.718 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.687 4.918 14.583 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.388 3.128 14.234 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.875 4.666 13.482 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.231 3.348 12.475 1.00 0.00 H new ATOM 839 N ALA A 55 -5.991 2.992 12.630 1.00 0.00 N ATOM 840 CA ALA A 55 -5.038 1.879 12.625 1.00 0.00 C ATOM 841 C ALA A 55 -3.615 2.283 12.244 1.00 0.00 C ATOM 842 O ALA A 55 -2.657 1.832 12.874 1.00 0.00 O ATOM 843 CB ALA A 55 -5.525 0.786 11.690 1.00 0.00 C ATOM 0 H ALA A 55 -6.014 3.545 11.773 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.991 1.516 13.652 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.812 -0.038 11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.497 0.425 12.027 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.616 1.185 10.680 1.00 0.00 H new ATOM 849 N ASP A 56 -3.462 3.108 11.212 1.00 0.00 N ATOM 850 CA ASP A 56 -2.127 3.514 10.782 1.00 0.00 C ATOM 851 C ASP A 56 -1.407 4.239 11.914 1.00 0.00 C ATOM 852 O ASP A 56 -1.736 5.376 12.255 1.00 0.00 O ATOM 853 CB ASP A 56 -2.187 4.388 9.526 1.00 0.00 C ATOM 854 CG ASP A 56 -0.825 4.580 8.893 1.00 0.00 C ATOM 855 OD1 ASP A 56 -0.184 3.565 8.559 1.00 0.00 O ATOM 856 OD2 ASP A 56 -0.404 5.742 8.725 1.00 0.00 O ATOM 0 H ASP A 56 -4.229 3.502 10.667 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.564 2.616 10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.861 3.932 8.801 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.606 5.361 9.783 1.00 0.00 H new ATOM 861 N ILE A 57 -0.430 3.550 12.499 1.00 0.00 N ATOM 862 CA ILE A 57 0.351 4.085 13.614 1.00 0.00 C ATOM 863 C ILE A 57 0.871 5.482 13.316 1.00 0.00 C ATOM 864 O ILE A 57 1.165 6.255 14.228 1.00 0.00 O ATOM 865 CB ILE A 57 1.568 3.192 13.923 1.00 0.00 C ATOM 866 CG1 ILE A 57 1.186 1.716 13.832 1.00 0.00 C ATOM 867 CG2 ILE A 57 2.122 3.518 15.303 1.00 0.00 C ATOM 868 CD1 ILE A 57 2.326 0.767 14.134 1.00 0.00 C ATOM 0 H ILE A 57 -0.157 2.609 12.216 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.324 4.115 14.469 1.00 0.00 H new ATOM 0 HB ILE A 57 2.343 3.390 13.182 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.369 1.519 14.526 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.810 1.509 12.830 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.982 2.881 15.510 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.430 4.563 15.334 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.352 3.344 16.055 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.975 -0.262 14.049 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.136 0.934 13.424 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.688 0.944 15.147 1.00 0.00 H new ATOM 880 N ASP A 58 1.014 5.781 12.036 1.00 0.00 N ATOM 881 CA ASP A 58 1.541 7.068 11.607 1.00 0.00 C ATOM 882 C ASP A 58 0.663 7.720 10.547 1.00 0.00 C ATOM 883 O ASP A 58 1.172 8.202 9.535 1.00 0.00 O ATOM 884 CB ASP A 58 2.952 6.871 11.060 1.00 0.00 C ATOM 885 CG ASP A 58 3.977 6.594 12.145 1.00 0.00 C ATOM 886 OD1 ASP A 58 3.595 6.567 13.333 1.00 0.00 O ATOM 887 OD2 ASP A 58 5.164 6.407 11.803 1.00 0.00 O ATOM 0 H ASP A 58 0.772 5.149 11.273 1.00 0.00 H new ATOM 0 HA ASP A 58 1.557 7.733 12.470 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.948 6.043 10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.249 7.762 10.507 1.00 0.00 H new ATOM 892 N LYS A 59 -0.655 7.683 10.758 1.00 0.00 N ATOM 893 CA LYS A 59 -1.621 8.217 9.804 1.00 0.00 C ATOM 894 C LYS A 59 -1.078 9.415 9.034 1.00 0.00 C ATOM 895 O LYS A 59 -1.204 10.566 9.452 1.00 0.00 O ATOM 896 CB LYS A 59 -2.912 8.601 10.530 1.00 0.00 C ATOM 897 CG LYS A 59 -4.109 8.847 9.613 1.00 0.00 C ATOM 898 CD LYS A 59 -3.953 10.107 8.774 1.00 0.00 C ATOM 899 CE LYS A 59 -5.163 10.336 7.881 1.00 0.00 C ATOM 900 NZ LYS A 59 -6.412 10.518 8.672 1.00 0.00 N ATOM 0 H LYS A 59 -1.079 7.282 11.595 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.825 7.432 9.075 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.167 7.809 11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.729 9.501 11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.239 7.989 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.014 8.926 10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.815 10.967 9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.056 10.028 8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.995 11.216 7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.281 9.488 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.998 11.255 8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.941 9.623 8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.170 10.803 9.642 1.00 0.00 H new ATOM 914 N SER A 60 -0.496 9.107 7.885 1.00 0.00 N ATOM 915 CA SER A 60 0.055 10.108 6.986 1.00 0.00 C ATOM 916 C SER A 60 -0.515 9.882 5.591 1.00 0.00 C ATOM 917 O SER A 60 -0.054 10.461 4.608 1.00 0.00 O ATOM 918 CB SER A 60 1.582 10.026 6.953 1.00 0.00 C ATOM 919 OG SER A 60 2.017 8.759 6.491 1.00 0.00 O ATOM 0 H SER A 60 -0.392 8.150 7.549 1.00 0.00 H new ATOM 0 HA SER A 60 -0.219 11.101 7.342 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.977 10.808 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.980 10.209 7.951 1.00 0.00 H new ATOM 0 HG SER A 60 2.997 8.734 6.478 1.00 0.00 H new ATOM 925 N GLY A 61 -1.520 9.008 5.529 1.00 0.00 N ATOM 926 CA GLY A 61 -2.152 8.674 4.268 1.00 0.00 C ATOM 927 C GLY A 61 -1.353 7.640 3.500 1.00 0.00 C ATOM 928 O GLY A 61 -1.544 7.463 2.294 1.00 0.00 O ATOM 0 H GLY A 61 -1.908 8.524 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.157 8.294 4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.258 9.575 3.664 1.00 0.00 H new ATOM 932 N THR A 62 -0.453 6.957 4.211 1.00 0.00 N ATOM 933 CA THR A 62 0.398 5.936 3.618 1.00 0.00 C ATOM 934 C THR A 62 0.825 4.919 4.676 1.00 0.00 C ATOM 935 O THR A 62 1.333 5.294 5.732 1.00 0.00 O ATOM 936 CB THR A 62 1.633 6.592 3.001 1.00 0.00 C ATOM 937 OG1 THR A 62 1.259 7.591 2.071 1.00 0.00 O ATOM 938 CG2 THR A 62 2.536 5.615 2.286 1.00 0.00 C ATOM 0 H THR A 62 -0.298 7.099 5.209 1.00 0.00 H new ATOM 0 HA THR A 62 -0.163 5.417 2.841 1.00 0.00 H new ATOM 0 HB THR A 62 2.181 7.020 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.063 8.000 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.393 6.147 1.872 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.884 4.859 2.990 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.984 5.133 1.479 1.00 0.00 H new ATOM 946 N ILE A 63 0.603 3.633 4.402 1.00 0.00 N ATOM 947 CA ILE A 63 0.952 2.589 5.343 1.00 0.00 C ATOM 948 C ILE A 63 2.168 1.800 4.875 1.00 0.00 C ATOM 949 O ILE A 63 2.242 1.373 3.725 1.00 0.00 O ATOM 950 CB ILE A 63 -0.224 1.618 5.560 1.00 0.00 C ATOM 951 CG1 ILE A 63 -1.451 2.375 6.073 1.00 0.00 C ATOM 952 CG2 ILE A 63 0.173 0.516 6.530 1.00 0.00 C ATOM 953 CD1 ILE A 63 -2.666 1.496 6.285 1.00 0.00 C ATOM 0 H ILE A 63 0.183 3.298 3.535 1.00 0.00 H new ATOM 0 HA ILE A 63 1.190 3.082 6.285 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.479 1.159 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.198 2.863 7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.703 3.163 5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.668 -0.163 6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.021 -0.037 6.125 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.451 0.957 7.487 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.495 2.103 6.649 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.946 1.028 5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.433 0.723 7.018 1.00 0.00 H new ATOM 965 N ASP A 64 3.110 1.604 5.785 1.00 0.00 N ATOM 966 CA ASP A 64 4.324 0.860 5.491 1.00 0.00 C ATOM 967 C ASP A 64 4.263 -0.523 6.126 1.00 0.00 C ATOM 968 O ASP A 64 3.382 -0.791 6.939 1.00 0.00 O ATOM 969 CB ASP A 64 5.558 1.623 5.969 1.00 0.00 C ATOM 970 CG ASP A 64 5.722 2.954 5.263 1.00 0.00 C ATOM 971 OD1 ASP A 64 5.850 2.955 4.020 1.00 0.00 O ATOM 972 OD2 ASP A 64 5.724 3.996 5.951 1.00 0.00 O ATOM 0 H ASP A 64 3.055 1.954 6.742 1.00 0.00 H new ATOM 0 HA ASP A 64 4.402 0.740 4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.485 1.791 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.446 1.014 5.802 1.00 0.00 H new ATOM 977 N TYR A 65 5.192 -1.397 5.739 1.00 0.00 N ATOM 978 CA TYR A 65 5.241 -2.765 6.257 1.00 0.00 C ATOM 979 C TYR A 65 4.831 -2.833 7.727 1.00 0.00 C ATOM 980 O TYR A 65 4.015 -3.672 8.110 1.00 0.00 O ATOM 981 CB TYR A 65 6.648 -3.344 6.088 1.00 0.00 C ATOM 982 CG TYR A 65 6.799 -4.738 6.656 1.00 0.00 C ATOM 983 CD1 TYR A 65 5.914 -5.750 6.307 1.00 0.00 C ATOM 984 CD2 TYR A 65 7.819 -5.037 7.549 1.00 0.00 C ATOM 985 CE1 TYR A 65 6.042 -7.021 6.831 1.00 0.00 C ATOM 986 CE2 TYR A 65 7.955 -6.307 8.076 1.00 0.00 C ATOM 987 CZ TYR A 65 7.064 -7.295 7.715 1.00 0.00 C ATOM 988 OH TYR A 65 7.193 -8.559 8.240 1.00 0.00 O ATOM 0 H TYR A 65 5.925 -1.180 5.064 1.00 0.00 H new ATOM 0 HA TYR A 65 4.528 -3.356 5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.899 -3.363 5.028 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.365 -2.683 6.574 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.113 -5.539 5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.517 -4.265 7.836 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.345 -7.797 6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.756 -6.525 8.767 1.00 0.00 H new ATOM 0 HH TYR A 65 7.964 -8.585 8.845 1.00 0.00 H new ATOM 998 N GLY A 66 5.400 -1.956 8.546 1.00 0.00 N ATOM 999 CA GLY A 66 5.074 -1.951 9.959 1.00 0.00 C ATOM 1000 C GLY A 66 3.633 -1.561 10.226 1.00 0.00 C ATOM 1001 O GLY A 66 2.847 -2.365 10.734 1.00 0.00 O ATOM 0 H GLY A 66 6.079 -1.251 8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.261 -2.941 10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.736 -1.258 10.478 1.00 0.00 H new ATOM 1005 N GLU A 67 3.286 -0.324 9.878 1.00 0.00 N ATOM 1006 CA GLU A 67 1.935 0.182 10.073 1.00 0.00 C ATOM 1007 C GLU A 67 0.905 -0.788 9.497 1.00 0.00 C ATOM 1008 O GLU A 67 -0.239 -0.834 9.948 1.00 0.00 O ATOM 1009 CB GLU A 67 1.806 1.550 9.407 1.00 0.00 C ATOM 1010 CG GLU A 67 2.902 2.521 9.822 1.00 0.00 C ATOM 1011 CD GLU A 67 2.988 3.741 8.924 1.00 0.00 C ATOM 1012 OE1 GLU A 67 2.229 3.809 7.936 1.00 0.00 O ATOM 1013 OE2 GLU A 67 3.827 4.623 9.203 1.00 0.00 O ATOM 0 H GLU A 67 3.928 0.348 9.457 1.00 0.00 H new ATOM 0 HA GLU A 67 1.744 0.280 11.142 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.831 1.424 8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.835 1.979 9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.724 2.844 10.848 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.861 2.003 9.813 1.00 0.00 H new ATOM 1020 N PHE A 68 1.327 -1.569 8.504 1.00 0.00 N ATOM 1021 CA PHE A 68 0.462 -2.548 7.867 1.00 0.00 C ATOM 1022 C PHE A 68 0.005 -3.593 8.862 1.00 0.00 C ATOM 1023 O PHE A 68 -1.185 -3.765 9.110 1.00 0.00 O ATOM 1024 CB PHE A 68 1.222 -3.261 6.754 1.00 0.00 C ATOM 1025 CG PHE A 68 0.393 -4.258 6.005 1.00 0.00 C ATOM 1026 CD1 PHE A 68 -0.667 -3.837 5.224 1.00 0.00 C ATOM 1027 CD2 PHE A 68 0.674 -5.611 6.077 1.00 0.00 C ATOM 1028 CE1 PHE A 68 -1.435 -4.750 4.528 1.00 0.00 C ATOM 1029 CE2 PHE A 68 -0.089 -6.528 5.384 1.00 0.00 C ATOM 1030 CZ PHE A 68 -1.146 -6.096 4.609 1.00 0.00 C ATOM 0 H PHE A 68 2.273 -1.538 8.124 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.403 -2.019 7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.604 -2.519 6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.086 -3.769 7.183 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.897 -2.784 5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.500 -5.953 6.683 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.261 -4.410 3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.140 -7.581 5.448 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.746 -6.811 4.066 1.00 0.00 H new ATOM 1040 N ILE A 69 0.981 -4.308 9.397 1.00 0.00 N ATOM 1041 CA ILE A 69 0.727 -5.376 10.343 1.00 0.00 C ATOM 1042 C ILE A 69 -0.094 -4.893 11.535 1.00 0.00 C ATOM 1043 O ILE A 69 -1.104 -5.502 11.887 1.00 0.00 O ATOM 1044 CB ILE A 69 2.044 -5.995 10.848 1.00 0.00 C ATOM 1045 CG1 ILE A 69 3.058 -6.147 9.706 1.00 0.00 C ATOM 1046 CG2 ILE A 69 1.756 -7.345 11.462 1.00 0.00 C ATOM 1047 CD1 ILE A 69 2.565 -7.003 8.558 1.00 0.00 C ATOM 0 H ILE A 69 1.969 -4.163 9.187 1.00 0.00 H new ATOM 0 HA ILE A 69 0.153 -6.135 9.811 1.00 0.00 H new ATOM 0 HB ILE A 69 2.477 -5.331 11.596 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.313 -5.158 9.326 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.975 -6.582 10.103 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.685 -7.787 11.821 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.065 -7.225 12.296 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.309 -7.998 10.712 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.337 -7.063 7.791 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.337 -8.005 8.923 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.665 -6.558 8.133 1.00 0.00 H new ATOM 1059 N ALA A 70 0.339 -3.798 12.154 1.00 0.00 N ATOM 1060 CA ALA A 70 -0.370 -3.247 13.307 1.00 0.00 C ATOM 1061 C ALA A 70 -1.785 -2.812 12.931 1.00 0.00 C ATOM 1062 O ALA A 70 -2.613 -2.535 13.798 1.00 0.00 O ATOM 1063 CB ALA A 70 0.405 -2.077 13.892 1.00 0.00 C ATOM 0 H ALA A 70 1.172 -3.277 11.879 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.449 -4.031 14.060 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.134 -1.676 14.750 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.391 -2.416 14.209 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.515 -1.299 13.136 1.00 0.00 H new ATOM 1069 N ALA A 71 -2.046 -2.754 11.631 1.00 0.00 N ATOM 1070 CA ALA A 71 -3.355 -2.349 11.130 1.00 0.00 C ATOM 1071 C ALA A 71 -4.242 -3.558 10.845 1.00 0.00 C ATOM 1072 O ALA A 71 -5.371 -3.638 11.326 1.00 0.00 O ATOM 1073 CB ALA A 71 -3.203 -1.502 9.877 1.00 0.00 C ATOM 0 H ALA A 71 -1.369 -2.982 10.903 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.838 -1.754 11.905 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.188 -1.208 9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.620 -0.611 10.109 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.691 -2.080 9.107 1.00 0.00 H new ATOM 1303 N VAL A 85 -20.614 0.334 9.059 1.00 0.00 N ATOM 1304 CA VAL A 85 -20.334 1.029 10.314 1.00 0.00 C ATOM 1305 C VAL A 85 -19.006 1.792 10.282 1.00 0.00 C ATOM 1306 O VAL A 85 -18.784 2.682 11.104 1.00 0.00 O ATOM 1307 CB VAL A 85 -20.320 0.048 11.502 1.00 0.00 C ATOM 1308 CG1 VAL A 85 -21.642 -0.700 11.595 1.00 0.00 C ATOM 1309 CG2 VAL A 85 -19.158 -0.926 11.385 1.00 0.00 C ATOM 0 HA VAL A 85 -21.140 1.752 10.442 1.00 0.00 H new ATOM 0 HB VAL A 85 -20.188 0.624 12.418 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -21.612 -1.388 12.440 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -22.454 0.013 11.736 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -21.808 -1.262 10.676 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -19.169 -1.609 12.235 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -19.252 -1.496 10.461 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -18.219 -0.373 11.376 1.00 0.00 H new ATOM 1319 N SER A 86 -18.127 1.428 9.344 1.00 0.00 N ATOM 1320 CA SER A 86 -16.814 2.070 9.214 1.00 0.00 C ATOM 1321 C SER A 86 -16.877 3.560 9.553 1.00 0.00 C ATOM 1322 O SER A 86 -16.293 3.996 10.545 1.00 0.00 O ATOM 1323 CB SER A 86 -16.272 1.879 7.797 1.00 0.00 C ATOM 1324 OG SER A 86 -16.127 0.503 7.489 1.00 0.00 O ATOM 0 H SER A 86 -18.301 0.690 8.661 1.00 0.00 H new ATOM 0 HA SER A 86 -16.141 1.594 9.927 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.947 2.347 7.080 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.309 2.380 7.702 1.00 0.00 H new ATOM 0 HG SER A 86 -16.685 0.280 6.715 1.00 0.00 H new ATOM 1330 N ALA A 87 -17.602 4.336 8.746 1.00 0.00 N ATOM 1331 CA ALA A 87 -17.738 5.766 9.006 1.00 0.00 C ATOM 1332 C ALA A 87 -18.657 5.986 10.191 1.00 0.00 C ATOM 1333 O ALA A 87 -18.422 6.862 11.016 1.00 0.00 O ATOM 1334 CB ALA A 87 -18.266 6.503 7.789 1.00 0.00 C ATOM 0 H ALA A 87 -18.097 4.003 7.919 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.750 6.166 9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -18.355 7.565 8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -17.578 6.368 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.245 6.106 7.520 1.00 0.00 H new ATOM 1340 N PHE A 88 -19.704 5.172 10.267 1.00 0.00 N ATOM 1341 CA PHE A 88 -20.667 5.248 11.356 1.00 0.00 C ATOM 1342 C PHE A 88 -19.959 5.428 12.699 1.00 0.00 C ATOM 1343 O PHE A 88 -20.538 5.921 13.661 1.00 0.00 O ATOM 1344 CB PHE A 88 -21.505 3.975 11.390 1.00 0.00 C ATOM 1345 CG PHE A 88 -22.737 4.105 12.222 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -23.721 4.998 11.855 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -22.911 3.346 13.367 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -24.859 5.139 12.610 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -24.054 3.480 14.131 1.00 0.00 C ATOM 1350 CZ PHE A 88 -25.030 4.380 13.751 1.00 0.00 C ATOM 0 H PHE A 88 -19.907 4.446 9.580 1.00 0.00 H new ATOM 0 HA PHE A 88 -21.311 6.110 11.185 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -21.788 3.707 10.372 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -20.897 3.158 11.778 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -23.595 5.594 10.963 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -22.147 2.643 13.665 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -25.621 5.844 12.311 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -24.184 2.883 15.022 1.00 0.00 H new ATOM 0 HZ PHE A 88 -25.925 4.490 14.345 1.00 0.00 H new ATOM 1360 N SER A 89 -18.699 5.021 12.755 1.00 0.00 N ATOM 1361 CA SER A 89 -17.913 5.145 13.971 1.00 0.00 C ATOM 1362 C SER A 89 -17.207 6.495 14.022 1.00 0.00 C ATOM 1363 O SER A 89 -17.176 7.151 15.063 1.00 0.00 O ATOM 1364 CB SER A 89 -16.910 4.005 14.051 1.00 0.00 C ATOM 1365 OG SER A 89 -16.183 4.043 15.267 1.00 0.00 O ATOM 0 H SER A 89 -18.200 4.602 11.971 1.00 0.00 H new ATOM 0 HA SER A 89 -18.580 5.087 14.831 1.00 0.00 H new ATOM 0 HB2 SER A 89 -17.432 3.052 13.967 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.219 4.066 13.210 1.00 0.00 H new ATOM 0 HG SER A 89 -15.547 3.298 15.291 1.00 0.00 H new ATOM 1371 N TYR A 90 -16.651 6.913 12.885 1.00 0.00 N ATOM 1372 CA TYR A 90 -15.963 8.189 12.795 1.00 0.00 C ATOM 1373 C TYR A 90 -16.986 9.305 12.572 1.00 0.00 C ATOM 1374 O TYR A 90 -17.158 10.180 13.421 1.00 0.00 O ATOM 1375 CB TYR A 90 -14.952 8.151 11.649 1.00 0.00 C ATOM 1376 CG TYR A 90 -13.843 9.167 11.787 1.00 0.00 C ATOM 1377 CD1 TYR A 90 -12.933 9.079 12.834 1.00 0.00 C ATOM 1378 CD2 TYR A 90 -13.702 10.210 10.883 1.00 0.00 C ATOM 1379 CE1 TYR A 90 -11.916 9.999 12.975 1.00 0.00 C ATOM 1380 CE2 TYR A 90 -12.687 11.138 11.019 1.00 0.00 C ATOM 1381 CZ TYR A 90 -11.797 11.028 12.066 1.00 0.00 C ATOM 1382 OH TYR A 90 -10.786 11.951 12.204 1.00 0.00 O ATOM 0 H TYR A 90 -16.667 6.381 12.015 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.427 8.383 13.724 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.515 7.154 11.594 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -15.475 8.322 10.708 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -13.024 8.276 13.550 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -14.396 10.298 10.060 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.216 9.914 13.793 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -12.591 11.946 10.308 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.843 12.609 11.480 1.00 0.00 H new ATOM 1392 N PHE A 91 -17.686 9.237 11.437 1.00 0.00 N ATOM 1393 CA PHE A 91 -18.729 10.209 11.114 1.00 0.00 C ATOM 1394 C PHE A 91 -19.730 10.282 12.264 1.00 0.00 C ATOM 1395 O PHE A 91 -19.844 11.313 12.926 1.00 0.00 O ATOM 1396 CB PHE A 91 -19.427 9.841 9.801 1.00 0.00 C ATOM 1397 CG PHE A 91 -18.611 10.156 8.576 1.00 0.00 C ATOM 1398 CD1 PHE A 91 -17.263 9.832 8.514 1.00 0.00 C ATOM 1399 CD2 PHE A 91 -19.193 10.785 7.488 1.00 0.00 C ATOM 1400 CE1 PHE A 91 -16.515 10.130 7.392 1.00 0.00 C ATOM 1401 CE2 PHE A 91 -18.449 11.084 6.360 1.00 0.00 C ATOM 1402 CZ PHE A 91 -17.109 10.757 6.313 1.00 0.00 C ATOM 0 H PHE A 91 -17.548 8.518 10.727 1.00 0.00 H new ATOM 0 HA PHE A 91 -18.274 11.190 10.980 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -19.659 8.776 9.809 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -20.376 10.374 9.742 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -16.793 9.341 9.353 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -20.241 11.045 7.520 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -15.467 9.873 7.358 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -18.916 11.573 5.518 1.00 0.00 H new ATOM 0 HZ PHE A 91 -16.526 10.991 5.435 1.00 0.00 H new ATOM 1412 N ASP A 92 -20.413 9.162 12.534 1.00 0.00 N ATOM 1413 CA ASP A 92 -21.350 9.088 13.658 1.00 0.00 C ATOM 1414 C ASP A 92 -20.530 8.889 14.929 1.00 0.00 C ATOM 1415 O ASP A 92 -20.774 7.970 15.711 1.00 0.00 O ATOM 1416 CB ASP A 92 -22.351 7.931 13.473 1.00 0.00 C ATOM 1417 CG ASP A 92 -23.660 8.349 12.835 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -24.449 9.045 13.507 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -23.896 7.981 11.666 1.00 0.00 O ATOM 0 H ASP A 92 -20.334 8.301 11.993 1.00 0.00 H new ATOM 0 HA ASP A 92 -21.933 10.007 13.718 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -21.889 7.158 12.859 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -22.558 7.484 14.445 1.00 0.00 H new ATOM 1424 N LYS A 93 -19.520 9.749 15.081 1.00 0.00 N ATOM 1425 CA LYS A 93 -18.591 9.704 16.196 1.00 0.00 C ATOM 1426 C LYS A 93 -19.263 9.303 17.503 1.00 0.00 C ATOM 1427 O LYS A 93 -18.896 8.294 18.105 1.00 0.00 O ATOM 1428 CB LYS A 93 -17.903 11.062 16.332 1.00 0.00 C ATOM 1429 CG LYS A 93 -16.763 11.075 17.338 1.00 0.00 C ATOM 1430 CD LYS A 93 -15.971 12.370 17.262 1.00 0.00 C ATOM 1431 CE LYS A 93 -15.246 12.503 15.929 1.00 0.00 C ATOM 1432 NZ LYS A 93 -14.527 13.802 15.813 1.00 0.00 N ATOM 0 H LYS A 93 -19.328 10.503 14.421 1.00 0.00 H new ATOM 0 HA LYS A 93 -17.850 8.933 15.986 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -17.519 11.363 15.358 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -18.643 11.806 16.626 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -17.162 10.950 18.344 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.101 10.230 17.150 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.643 13.217 17.398 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.247 12.403 18.076 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -14.535 11.684 15.819 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -15.965 12.412 15.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -14.047 13.852 14.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -15.208 14.584 15.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -13.823 13.878 16.575 1.00 0.00 H new ATOM 1446 N ASP A 94 -20.245 10.081 17.941 1.00 0.00 N ATOM 1447 CA ASP A 94 -20.942 9.761 19.179 1.00 0.00 C ATOM 1448 C ASP A 94 -22.035 8.740 18.903 1.00 0.00 C ATOM 1449 O ASP A 94 -22.480 8.035 19.810 1.00 0.00 O ATOM 1450 CB ASP A 94 -21.542 11.016 19.815 1.00 0.00 C ATOM 1451 CG ASP A 94 -22.760 11.520 19.070 1.00 0.00 C ATOM 1452 OD1 ASP A 94 -22.641 11.813 17.864 1.00 0.00 O ATOM 1453 OD2 ASP A 94 -23.838 11.618 19.694 1.00 0.00 O ATOM 0 H ASP A 94 -20.572 10.923 17.467 1.00 0.00 H new ATOM 0 HA ASP A 94 -20.222 9.341 19.881 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -21.816 10.800 20.848 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -20.787 11.801 19.843 1.00 0.00 H new ATOM 1458 N GLY A 95 -22.450 8.659 17.638 1.00 0.00 N ATOM 1459 CA GLY A 95 -23.459 7.736 17.242 1.00 0.00 C ATOM 1460 C GLY A 95 -24.632 7.714 18.181 1.00 0.00 C ATOM 1461 O GLY A 95 -24.755 6.843 19.043 1.00 0.00 O ATOM 0 H GLY A 95 -22.085 9.236 16.880 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -23.806 7.992 16.241 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -23.028 6.737 17.184 1.00 0.00 H new ATOM 1465 N SER A 96 -25.539 8.625 17.922 1.00 0.00 N ATOM 1466 CA SER A 96 -26.791 8.702 18.636 1.00 0.00 C ATOM 1467 C SER A 96 -27.785 8.057 17.703 1.00 0.00 C ATOM 1468 O SER A 96 -28.900 7.681 18.064 1.00 0.00 O ATOM 1469 CB SER A 96 -27.160 10.153 18.951 1.00 0.00 C ATOM 1470 OG SER A 96 -27.031 10.970 17.803 1.00 0.00 O ATOM 0 H SER A 96 -25.428 9.340 17.203 1.00 0.00 H new ATOM 0 HA SER A 96 -26.756 8.203 19.605 1.00 0.00 H new ATOM 0 HB2 SER A 96 -28.184 10.199 19.321 1.00 0.00 H new ATOM 0 HB3 SER A 96 -26.516 10.531 19.745 1.00 0.00 H new ATOM 0 HG SER A 96 -27.895 11.385 17.598 1.00 0.00 H new ATOM 1476 N GLY A 97 -27.291 7.932 16.474 1.00 0.00 N ATOM 1477 CA GLY A 97 -28.007 7.335 15.384 1.00 0.00 C ATOM 1478 C GLY A 97 -28.092 8.282 14.211 1.00 0.00 C ATOM 1479 O GLY A 97 -28.577 7.929 13.142 1.00 0.00 O ATOM 0 H GLY A 97 -26.358 8.255 16.217 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -27.510 6.415 15.078 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -29.011 7.062 15.709 1.00 0.00 H new ATOM 1483 N TYR A 98 -27.580 9.484 14.430 1.00 0.00 N ATOM 1484 CA TYR A 98 -27.540 10.530 13.420 1.00 0.00 C ATOM 1485 C TYR A 98 -26.306 11.415 13.605 1.00 0.00 C ATOM 1486 O TYR A 98 -25.639 11.366 14.635 1.00 0.00 O ATOM 1487 CB TYR A 98 -28.815 11.379 13.431 1.00 0.00 C ATOM 1488 CG TYR A 98 -29.661 11.259 14.677 1.00 0.00 C ATOM 1489 CD1 TYR A 98 -29.142 11.531 15.935 1.00 0.00 C ATOM 1490 CD2 TYR A 98 -30.991 10.873 14.588 1.00 0.00 C ATOM 1491 CE1 TYR A 98 -29.926 11.421 17.069 1.00 0.00 C ATOM 1492 CE2 TYR A 98 -31.781 10.760 15.712 1.00 0.00 C ATOM 1493 CZ TYR A 98 -31.245 11.034 16.952 1.00 0.00 C ATOM 1494 OH TYR A 98 -32.030 10.924 18.076 1.00 0.00 O ATOM 0 H TYR A 98 -27.176 9.763 15.324 1.00 0.00 H new ATOM 0 HA TYR A 98 -27.477 10.041 12.448 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -28.536 12.425 13.300 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -29.424 11.102 12.570 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -28.110 11.833 16.030 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -31.416 10.657 13.619 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -29.508 11.637 18.041 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -32.814 10.458 15.622 1.00 0.00 H new ATOM 0 HH TYR A 98 -32.933 10.643 17.818 1.00 0.00 H new ATOM 1504 N ILE A 99 -26.007 12.207 12.582 1.00 0.00 N ATOM 1505 CA ILE A 99 -24.855 13.101 12.582 1.00 0.00 C ATOM 1506 C ILE A 99 -25.262 14.493 12.134 1.00 0.00 C ATOM 1507 O ILE A 99 -25.445 14.728 10.947 1.00 0.00 O ATOM 1508 CB ILE A 99 -23.774 12.585 11.615 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -23.240 11.237 12.058 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -22.629 13.580 11.483 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -22.511 10.526 10.945 1.00 0.00 C ATOM 0 H ILE A 99 -26.559 12.247 11.725 1.00 0.00 H new ATOM 0 HA ILE A 99 -24.463 13.135 13.599 1.00 0.00 H new ATOM 0 HB ILE A 99 -24.245 12.468 10.639 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -22.566 11.374 12.904 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -24.066 10.616 12.406 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -21.882 13.186 10.793 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -23.012 14.527 11.101 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -22.172 13.741 12.460 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -22.145 9.565 11.306 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -23.192 10.365 10.109 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -21.669 11.134 10.615 1.00 0.00 H new ATOM 1523 N THR A 100 -25.374 15.421 13.062 1.00 0.00 N ATOM 1524 CA THR A 100 -25.740 16.776 12.705 1.00 0.00 C ATOM 1525 C THR A 100 -24.575 17.450 12.001 1.00 0.00 C ATOM 1526 O THR A 100 -23.421 17.133 12.282 1.00 0.00 O ATOM 1527 CB THR A 100 -26.136 17.564 13.954 1.00 0.00 C ATOM 1528 OG1 THR A 100 -25.035 17.694 14.835 1.00 0.00 O ATOM 1529 CG2 THR A 100 -27.266 16.919 14.727 1.00 0.00 C ATOM 0 H THR A 100 -25.219 15.265 14.058 1.00 0.00 H new ATOM 0 HA THR A 100 -26.596 16.750 12.030 1.00 0.00 H new ATOM 0 HB THR A 100 -26.468 18.537 13.592 1.00 0.00 H new ATOM 0 HG1 THR A 100 -25.308 18.203 15.627 1.00 0.00 H new ATOM 0 HG21 THR A 100 -27.501 17.525 15.602 1.00 0.00 H new ATOM 0 HG22 THR A 100 -28.147 16.845 14.090 1.00 0.00 H new ATOM 0 HG23 THR A 100 -26.965 15.921 15.047 1.00 0.00 H new ATOM 1537 N LEU A 101 -24.880 18.340 11.057 1.00 0.00 N ATOM 1538 CA LEU A 101 -23.858 19.032 10.274 1.00 0.00 C ATOM 1539 C LEU A 101 -22.596 19.317 11.086 1.00 0.00 C ATOM 1540 O LEU A 101 -21.500 19.351 10.535 1.00 0.00 O ATOM 1541 CB LEU A 101 -24.424 20.358 9.789 1.00 0.00 C ATOM 1542 CG LEU A 101 -25.183 21.144 10.859 1.00 0.00 C ATOM 1543 CD1 LEU A 101 -25.034 22.638 10.626 1.00 0.00 C ATOM 1544 CD2 LEU A 101 -26.656 20.757 10.861 1.00 0.00 C ATOM 0 H LEU A 101 -25.836 18.600 10.815 1.00 0.00 H new ATOM 0 HA LEU A 101 -23.586 18.382 9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -23.607 20.973 9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -25.093 20.169 8.949 1.00 0.00 H new ATOM 0 HG LEU A 101 -24.757 20.898 11.832 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -25.580 23.183 11.396 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -23.979 22.909 10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -25.436 22.895 9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -27.181 21.326 11.629 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -27.091 20.976 9.886 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -26.752 19.692 11.070 1.00 0.00 H new ATOM 1556 N ASP A 102 -22.745 19.500 12.391 1.00 0.00 N ATOM 1557 CA ASP A 102 -21.594 19.748 13.249 1.00 0.00 C ATOM 1558 C ASP A 102 -20.588 18.606 13.120 1.00 0.00 C ATOM 1559 O ASP A 102 -19.430 18.827 12.776 1.00 0.00 O ATOM 1560 CB ASP A 102 -22.031 19.905 14.707 1.00 0.00 C ATOM 1561 CG ASP A 102 -20.861 20.168 15.635 1.00 0.00 C ATOM 1562 OD1 ASP A 102 -20.167 21.187 15.442 1.00 0.00 O ATOM 1563 OD2 ASP A 102 -20.639 19.352 16.555 1.00 0.00 O ATOM 0 H ASP A 102 -23.642 19.482 12.875 1.00 0.00 H new ATOM 0 HA ASP A 102 -21.119 20.676 12.931 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.744 20.726 14.784 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -22.550 19.002 15.027 1.00 0.00 H new ATOM 1568 N GLU A 103 -21.044 17.383 13.383 1.00 0.00 N ATOM 1569 CA GLU A 103 -20.183 16.208 13.280 1.00 0.00 C ATOM 1570 C GLU A 103 -19.827 15.912 11.827 1.00 0.00 C ATOM 1571 O GLU A 103 -18.735 15.427 11.538 1.00 0.00 O ATOM 1572 CB GLU A 103 -20.849 14.991 13.919 1.00 0.00 C ATOM 1573 CG GLU A 103 -20.869 15.042 15.436 1.00 0.00 C ATOM 1574 CD GLU A 103 -21.418 13.772 16.052 1.00 0.00 C ATOM 1575 OE1 GLU A 103 -22.587 13.434 15.772 1.00 0.00 O ATOM 1576 OE2 GLU A 103 -20.676 13.116 16.812 1.00 0.00 O ATOM 0 H GLU A 103 -22.002 17.181 13.668 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.261 16.425 13.820 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -21.872 14.912 13.552 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.325 14.090 13.600 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.857 15.212 15.804 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -21.473 15.890 15.760 1.00 0.00 H new ATOM 1583 N ILE A 104 -20.744 16.216 10.914 1.00 0.00 N ATOM 1584 CA ILE A 104 -20.508 15.993 9.493 1.00 0.00 C ATOM 1585 C ILE A 104 -19.320 16.813 9.009 1.00 0.00 C ATOM 1586 O ILE A 104 -18.416 16.298 8.348 1.00 0.00 O ATOM 1587 CB ILE A 104 -21.767 16.353 8.665 1.00 0.00 C ATOM 1588 CG1 ILE A 104 -22.589 15.096 8.370 1.00 0.00 C ATOM 1589 CG2 ILE A 104 -21.403 17.066 7.369 1.00 0.00 C ATOM 1590 CD1 ILE A 104 -21.852 14.078 7.527 1.00 0.00 C ATOM 0 H ILE A 104 -21.656 16.617 11.133 1.00 0.00 H new ATOM 0 HA ILE A 104 -20.286 14.935 9.353 1.00 0.00 H new ATOM 0 HB ILE A 104 -22.369 17.039 9.261 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -22.881 14.633 9.312 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -23.507 15.384 7.858 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -22.312 17.302 6.816 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -20.868 17.988 7.599 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -20.768 16.419 6.764 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -22.494 13.213 7.357 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -21.583 14.524 6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -20.947 13.762 8.046 1.00 0.00 H new ATOM 1602 N GLN A 105 -19.343 18.096 9.332 1.00 0.00 N ATOM 1603 CA GLN A 105 -18.286 19.014 8.928 1.00 0.00 C ATOM 1604 C GLN A 105 -16.989 18.772 9.702 1.00 0.00 C ATOM 1605 O GLN A 105 -15.920 18.664 9.103 1.00 0.00 O ATOM 1606 CB GLN A 105 -18.755 20.458 9.097 1.00 0.00 C ATOM 1607 CG GLN A 105 -19.981 20.785 8.259 1.00 0.00 C ATOM 1608 CD GLN A 105 -20.126 22.267 7.987 1.00 0.00 C ATOM 1609 OE1 GLN A 105 -20.167 22.627 6.708 1.00 0.00 O flip ATOM 1610 NE2 GLN A 105 -20.205 23.077 8.911 1.00 0.00 N flip ATOM 0 H GLN A 105 -20.088 18.530 9.877 1.00 0.00 H new ATOM 0 HA GLN A 105 -18.069 18.829 7.876 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -18.980 20.641 10.148 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -17.944 21.132 8.823 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -19.921 20.250 7.311 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -20.873 20.425 8.772 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -20.169 22.753 9.878 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -20.307 24.072 8.710 1.00 0.00 H new ATOM 1619 N GLN A 106 -17.081 18.688 11.029 1.00 0.00 N ATOM 1620 CA GLN A 106 -15.899 18.454 11.862 1.00 0.00 C ATOM 1621 C GLN A 106 -15.169 17.183 11.431 1.00 0.00 C ATOM 1622 O GLN A 106 -13.940 17.153 11.364 1.00 0.00 O ATOM 1623 CB GLN A 106 -16.287 18.347 13.337 1.00 0.00 C ATOM 1624 CG GLN A 106 -16.853 19.632 13.912 1.00 0.00 C ATOM 1625 CD GLN A 106 -17.206 19.506 15.382 1.00 0.00 C ATOM 1626 OE1 GLN A 106 -18.040 18.683 15.764 1.00 0.00 O ATOM 1627 NE2 GLN A 106 -16.571 20.321 16.217 1.00 0.00 N ATOM 0 H GLN A 106 -17.954 18.778 11.548 1.00 0.00 H new ATOM 0 HA GLN A 106 -15.231 19.305 11.731 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -17.023 17.552 13.453 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -15.410 18.056 13.915 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -16.126 20.434 13.784 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -17.743 19.916 13.351 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -15.888 20.988 15.858 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -16.767 20.280 17.217 1.00 0.00 H new ATOM 1636 N ALA A 107 -15.938 16.140 11.136 1.00 0.00 N ATOM 1637 CA ALA A 107 -15.377 14.859 10.704 1.00 0.00 C ATOM 1638 C ALA A 107 -14.628 15.001 9.382 1.00 0.00 C ATOM 1639 O ALA A 107 -14.021 14.046 8.896 1.00 0.00 O ATOM 1640 CB ALA A 107 -16.474 13.813 10.579 1.00 0.00 C ATOM 0 H ALA A 107 -16.957 16.155 11.188 1.00 0.00 H new ATOM 0 HA ALA A 107 -14.665 14.533 11.462 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -16.039 12.867 10.257 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.960 13.679 11.545 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.209 14.143 9.845 1.00 0.00 H new ATOM 1646 N CYS A 108 -14.674 16.198 8.811 1.00 0.00 N ATOM 1647 CA CYS A 108 -14.000 16.474 7.548 1.00 0.00 C ATOM 1648 C CYS A 108 -12.964 17.582 7.717 1.00 0.00 C ATOM 1649 O CYS A 108 -13.121 18.682 7.184 1.00 0.00 O ATOM 1650 CB CYS A 108 -15.022 16.866 6.480 1.00 0.00 C ATOM 1651 SG CYS A 108 -16.235 15.576 6.112 1.00 0.00 S ATOM 0 H CYS A 108 -15.173 16.996 9.204 1.00 0.00 H new ATOM 0 HA CYS A 108 -13.484 15.568 7.230 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -15.549 17.762 6.808 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -14.493 17.125 5.563 1.00 0.00 H new ATOM 0 HG CYS A 108 -17.241 15.681 6.929 1.00 0.00 H new ATOM 1657 N LYS A 109 -11.904 17.286 8.465 1.00 0.00 N ATOM 1658 CA LYS A 109 -10.846 18.262 8.706 1.00 0.00 C ATOM 1659 C LYS A 109 -9.889 18.337 7.520 1.00 0.00 C ATOM 1660 O LYS A 109 -9.393 19.411 7.181 1.00 0.00 O ATOM 1661 CB LYS A 109 -10.065 17.922 9.984 1.00 0.00 C ATOM 1662 CG LYS A 109 -9.180 16.685 9.870 1.00 0.00 C ATOM 1663 CD LYS A 109 -9.997 15.403 9.799 1.00 0.00 C ATOM 1664 CE LYS A 109 -9.102 14.183 9.647 1.00 0.00 C ATOM 1665 NZ LYS A 109 -8.123 14.068 10.762 1.00 0.00 N ATOM 0 H LYS A 109 -11.756 16.382 8.913 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.321 19.235 8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -9.443 18.776 10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.773 17.774 10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -8.556 16.767 8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.508 16.640 10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.600 15.304 10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.688 15.456 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -9.717 13.284 9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.567 14.242 8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -7.687 13.124 10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -7.385 14.793 10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -8.612 14.207 11.669 1.00 0.00 H new ATOM 1679 N ASP A 110 -9.632 17.192 6.893 1.00 0.00 N ATOM 1680 CA ASP A 110 -8.731 17.138 5.747 1.00 0.00 C ATOM 1681 C ASP A 110 -9.491 17.374 4.446 1.00 0.00 C ATOM 1682 O ASP A 110 -8.892 17.465 3.374 1.00 0.00 O ATOM 1683 CB ASP A 110 -8.001 15.791 5.700 1.00 0.00 C ATOM 1684 CG ASP A 110 -8.941 14.619 5.495 1.00 0.00 C ATOM 1685 OD1 ASP A 110 -9.571 14.542 4.420 1.00 0.00 O ATOM 1686 OD2 ASP A 110 -9.044 13.775 6.410 1.00 0.00 O ATOM 0 H ASP A 110 -10.034 16.293 7.158 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.992 17.931 5.860 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -7.268 15.808 4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.449 15.650 6.629 1.00 0.00 H new ATOM 1691 N PHE A 111 -10.813 17.480 4.549 1.00 0.00 N ATOM 1692 CA PHE A 111 -11.656 17.715 3.380 1.00 0.00 C ATOM 1693 C PHE A 111 -11.716 19.200 3.048 1.00 0.00 C ATOM 1694 O PHE A 111 -12.461 19.615 2.159 1.00 0.00 O ATOM 1695 CB PHE A 111 -13.080 17.202 3.616 1.00 0.00 C ATOM 1696 CG PHE A 111 -13.202 15.706 3.707 1.00 0.00 C ATOM 1697 CD1 PHE A 111 -12.500 14.992 4.664 1.00 0.00 C ATOM 1698 CD2 PHE A 111 -14.032 15.018 2.836 1.00 0.00 C ATOM 1699 CE1 PHE A 111 -12.622 13.618 4.748 1.00 0.00 C ATOM 1700 CE2 PHE A 111 -14.159 13.644 2.917 1.00 0.00 C ATOM 1701 CZ PHE A 111 -13.452 12.945 3.873 1.00 0.00 C ATOM 0 H PHE A 111 -11.323 17.407 5.429 1.00 0.00 H new ATOM 0 HA PHE A 111 -11.212 17.172 2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -13.462 17.641 4.538 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -13.718 17.556 2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -11.851 15.514 5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -14.586 15.562 2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -12.069 13.071 5.497 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -14.810 13.119 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 111 -13.547 11.871 3.937 1.00 0.00 H new ATOM 1711 N GLY A 112 -10.942 20.001 3.772 1.00 0.00 N ATOM 1712 CA GLY A 112 -10.948 21.429 3.534 1.00 0.00 C ATOM 1713 C GLY A 112 -12.099 22.113 4.245 1.00 0.00 C ATOM 1714 O GLY A 112 -12.707 23.033 3.699 1.00 0.00 O ATOM 0 H GLY A 112 -10.315 19.688 4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -10.005 21.858 3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -11.018 21.619 2.463 1.00 0.00 H new ATOM 1718 N LEU A 113 -12.406 21.638 5.456 1.00 0.00 N ATOM 1719 CA LEU A 113 -13.505 22.179 6.257 1.00 0.00 C ATOM 1720 C LEU A 113 -13.667 23.679 6.035 1.00 0.00 C ATOM 1721 O LEU A 113 -12.869 24.486 6.511 1.00 0.00 O ATOM 1722 CB LEU A 113 -13.277 21.857 7.745 1.00 0.00 C ATOM 1723 CG LEU A 113 -14.296 22.436 8.742 1.00 0.00 C ATOM 1724 CD1 LEU A 113 -13.969 23.880 9.087 1.00 0.00 C ATOM 1725 CD2 LEU A 113 -15.709 22.328 8.190 1.00 0.00 C ATOM 0 H LEU A 113 -11.903 20.873 5.905 1.00 0.00 H new ATOM 0 HA LEU A 113 -14.433 21.705 5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -13.266 20.773 7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -12.287 22.217 8.023 1.00 0.00 H new ATOM 0 HG LEU A 113 -14.236 21.849 9.658 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -14.707 24.261 9.793 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -12.977 23.931 9.535 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -13.989 24.484 8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -16.414 22.743 8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -15.778 22.883 7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -15.950 21.280 8.009 1.00 0.00 H new ATOM 1737 N ASP A 114 -14.708 24.034 5.283 1.00 0.00 N ATOM 1738 CA ASP A 114 -14.993 25.428 4.971 1.00 0.00 C ATOM 1739 C ASP A 114 -16.446 25.598 4.530 1.00 0.00 C ATOM 1740 O ASP A 114 -17.079 24.651 4.059 1.00 0.00 O ATOM 1741 CB ASP A 114 -14.036 25.923 3.881 1.00 0.00 C ATOM 1742 CG ASP A 114 -14.131 27.418 3.643 1.00 0.00 C ATOM 1743 OD1 ASP A 114 -15.188 27.880 3.171 1.00 0.00 O ATOM 1744 OD2 ASP A 114 -13.144 28.128 3.932 1.00 0.00 O ATOM 0 H ASP A 114 -15.369 23.370 4.879 1.00 0.00 H new ATOM 0 HA ASP A 114 -14.843 26.026 5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -13.013 25.669 4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -14.251 25.398 2.950 1.00 0.00 H new ATOM 1749 N ASP A 115 -16.969 26.811 4.691 1.00 0.00 N ATOM 1750 CA ASP A 115 -18.349 27.119 4.320 1.00 0.00 C ATOM 1751 C ASP A 115 -18.584 26.980 2.816 1.00 0.00 C ATOM 1752 O ASP A 115 -19.719 27.081 2.350 1.00 0.00 O ATOM 1753 CB ASP A 115 -18.723 28.531 4.777 1.00 0.00 C ATOM 1754 CG ASP A 115 -17.810 29.593 4.197 1.00 0.00 C ATOM 1755 OD1 ASP A 115 -16.603 29.578 4.517 1.00 0.00 O ATOM 1756 OD2 ASP A 115 -18.301 30.438 3.419 1.00 0.00 O ATOM 0 H ASP A 115 -16.454 27.602 5.079 1.00 0.00 H new ATOM 0 HA ASP A 115 -18.987 26.393 4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -19.752 28.743 4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.684 28.579 5.865 1.00 0.00 H new ATOM 1761 N ILE A 116 -17.516 26.768 2.054 1.00 0.00 N ATOM 1762 CA ILE A 116 -17.641 26.634 0.606 1.00 0.00 C ATOM 1763 C ILE A 116 -18.090 25.228 0.208 1.00 0.00 C ATOM 1764 O ILE A 116 -19.172 25.049 -0.351 1.00 0.00 O ATOM 1765 CB ILE A 116 -16.313 26.960 -0.108 1.00 0.00 C ATOM 1766 CG1 ILE A 116 -15.872 28.394 0.206 1.00 0.00 C ATOM 1767 CG2 ILE A 116 -16.450 26.758 -1.612 1.00 0.00 C ATOM 1768 CD1 ILE A 116 -16.864 29.452 -0.240 1.00 0.00 C ATOM 0 H ILE A 116 -16.563 26.686 2.409 1.00 0.00 H new ATOM 0 HA ILE A 116 -18.400 27.351 0.293 1.00 0.00 H new ATOM 0 HB ILE A 116 -15.548 26.277 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -15.713 28.488 1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -14.913 28.583 -0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -15.503 26.993 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -16.716 25.721 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -17.229 27.415 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -16.482 30.440 0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -17.005 29.386 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -17.818 29.290 0.261 1.00 0.00 H new ATOM 1780 N HIS A 117 -17.247 24.237 0.485 1.00 0.00 N ATOM 1781 CA HIS A 117 -17.552 22.849 0.142 1.00 0.00 C ATOM 1782 C HIS A 117 -18.252 22.104 1.266 1.00 0.00 C ATOM 1783 O HIS A 117 -19.414 21.720 1.138 1.00 0.00 O ATOM 1784 CB HIS A 117 -16.273 22.101 -0.229 1.00 0.00 C ATOM 1785 CG HIS A 117 -15.884 22.249 -1.661 1.00 0.00 C ATOM 1786 ND1 HIS A 117 -15.538 23.453 -2.236 1.00 0.00 N ATOM 1787 CD2 HIS A 117 -15.795 21.323 -2.638 1.00 0.00 C ATOM 1788 CE1 HIS A 117 -15.253 23.260 -3.511 1.00 0.00 C ATOM 1789 NE2 HIS A 117 -15.401 21.975 -3.781 1.00 0.00 N ATOM 0 H HIS A 117 -16.347 24.368 0.946 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.233 22.885 -0.709 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -15.458 22.461 0.399 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -16.404 21.042 -0.005 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -15.996 20.266 -2.540 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -14.950 24.023 -4.213 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -15.248 21.538 -4.690 1.00 0.00 H new ATOM 1798 N ILE A 118 -17.521 21.869 2.347 1.00 0.00 N ATOM 1799 CA ILE A 118 -18.044 21.132 3.488 1.00 0.00 C ATOM 1800 C ILE A 118 -19.419 21.639 3.924 1.00 0.00 C ATOM 1801 O ILE A 118 -20.171 20.923 4.585 1.00 0.00 O ATOM 1802 CB ILE A 118 -17.065 21.191 4.677 1.00 0.00 C ATOM 1803 CG1 ILE A 118 -15.691 20.673 4.250 1.00 0.00 C ATOM 1804 CG2 ILE A 118 -17.595 20.386 5.855 1.00 0.00 C ATOM 1805 CD1 ILE A 118 -15.708 19.248 3.740 1.00 0.00 C ATOM 0 H ILE A 118 -16.556 22.181 2.457 1.00 0.00 H new ATOM 0 HA ILE A 118 -18.156 20.097 3.166 1.00 0.00 H new ATOM 0 HB ILE A 118 -16.968 22.229 4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -15.294 21.323 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -15.009 20.738 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -16.887 20.442 6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -18.556 20.793 6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -17.722 19.345 5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -14.698 18.951 3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -16.074 18.585 4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -16.364 19.180 2.872 1.00 0.00 H new ATOM 1817 N ASP A 119 -19.754 22.859 3.530 1.00 0.00 N ATOM 1818 CA ASP A 119 -21.053 23.442 3.869 1.00 0.00 C ATOM 1819 C ASP A 119 -22.117 22.867 2.954 1.00 0.00 C ATOM 1820 O ASP A 119 -23.061 22.223 3.411 1.00 0.00 O ATOM 1821 CB ASP A 119 -21.023 24.963 3.748 1.00 0.00 C ATOM 1822 CG ASP A 119 -22.319 25.610 4.201 1.00 0.00 C ATOM 1823 OD1 ASP A 119 -23.370 25.328 3.590 1.00 0.00 O ATOM 1824 OD2 ASP A 119 -22.282 26.399 5.169 1.00 0.00 O ATOM 0 H ASP A 119 -19.149 23.466 2.977 1.00 0.00 H new ATOM 0 HA ASP A 119 -21.286 23.194 4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -20.198 25.355 4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -20.827 25.238 2.712 1.00 0.00 H new ATOM 1829 N ASP A 120 -21.934 23.064 1.651 1.00 0.00 N ATOM 1830 CA ASP A 120 -22.856 22.515 0.669 1.00 0.00 C ATOM 1831 C ASP A 120 -22.867 21.004 0.833 1.00 0.00 C ATOM 1832 O ASP A 120 -23.771 20.315 0.374 1.00 0.00 O ATOM 1833 CB ASP A 120 -22.431 22.897 -0.751 1.00 0.00 C ATOM 1834 CG ASP A 120 -23.375 22.352 -1.804 1.00 0.00 C ATOM 1835 OD1 ASP A 120 -24.577 22.690 -1.757 1.00 0.00 O ATOM 1836 OD2 ASP A 120 -22.913 21.588 -2.677 1.00 0.00 O ATOM 0 H ASP A 120 -21.160 23.597 1.255 1.00 0.00 H new ATOM 0 HA ASP A 120 -23.855 22.921 0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -22.387 23.983 -0.834 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -21.425 22.522 -0.940 1.00 0.00 H new ATOM 1841 N MET A 121 -21.833 20.524 1.519 1.00 0.00 N ATOM 1842 CA MET A 121 -21.642 19.118 1.815 1.00 0.00 C ATOM 1843 C MET A 121 -22.765 18.630 2.716 1.00 0.00 C ATOM 1844 O MET A 121 -23.337 17.566 2.501 1.00 0.00 O ATOM 1845 CB MET A 121 -20.294 18.925 2.498 1.00 0.00 C ATOM 1846 CG MET A 121 -19.765 17.522 2.376 1.00 0.00 C ATOM 1847 SD MET A 121 -18.383 17.179 3.480 1.00 0.00 S ATOM 1848 CE MET A 121 -19.208 17.221 5.067 1.00 0.00 C ATOM 0 H MET A 121 -21.092 21.119 1.890 1.00 0.00 H new ATOM 0 HA MET A 121 -21.658 18.541 0.890 1.00 0.00 H new ATOM 0 HB2 MET A 121 -19.572 19.618 2.066 1.00 0.00 H new ATOM 0 HB3 MET A 121 -20.388 19.181 3.553 1.00 0.00 H new ATOM 0 HG2 MET A 121 -20.571 16.818 2.585 1.00 0.00 H new ATOM 0 HG3 MET A 121 -19.450 17.349 1.347 1.00 0.00 H new ATOM 0 HE1 MET A 121 -18.466 17.311 5.860 1.00 0.00 H new ATOM 0 HE2 MET A 121 -19.884 18.075 5.103 1.00 0.00 H new ATOM 0 HE3 MET A 121 -19.777 16.302 5.206 1.00 0.00 H new ATOM 1858 N ILE A 122 -23.100 19.453 3.702 1.00 0.00 N ATOM 1859 CA ILE A 122 -24.194 19.171 4.620 1.00 0.00 C ATOM 1860 C ILE A 122 -25.431 18.929 3.801 1.00 0.00 C ATOM 1861 O ILE A 122 -26.120 17.929 3.969 1.00 0.00 O ATOM 1862 CB ILE A 122 -24.425 20.381 5.532 1.00 0.00 C ATOM 1863 CG1 ILE A 122 -23.118 20.786 6.191 1.00 0.00 C ATOM 1864 CG2 ILE A 122 -25.486 20.089 6.571 1.00 0.00 C ATOM 1865 CD1 ILE A 122 -23.210 22.067 6.992 1.00 0.00 C ATOM 0 H ILE A 122 -22.621 20.334 3.887 1.00 0.00 H new ATOM 0 HA ILE A 122 -23.959 18.301 5.234 1.00 0.00 H new ATOM 0 HB ILE A 122 -24.785 21.210 4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -22.788 19.981 6.847 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -22.355 20.903 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -25.628 20.966 7.203 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -26.425 19.845 6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -25.171 19.246 7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -22.238 22.291 7.432 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -23.509 22.885 6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -23.949 21.948 7.785 1.00 0.00 H new ATOM 1877 N LYS A 123 -25.672 19.847 2.882 1.00 0.00 N ATOM 1878 CA LYS A 123 -26.797 19.745 1.987 1.00 0.00 C ATOM 1879 C LYS A 123 -26.490 18.720 0.896 1.00 0.00 C ATOM 1880 O LYS A 123 -27.376 18.291 0.157 1.00 0.00 O ATOM 1881 CB LYS A 123 -27.105 21.106 1.364 1.00 0.00 C ATOM 1882 CG LYS A 123 -27.544 22.177 2.359 1.00 0.00 C ATOM 1883 CD LYS A 123 -28.874 21.841 3.024 1.00 0.00 C ATOM 1884 CE LYS A 123 -28.688 20.985 4.268 1.00 0.00 C ATOM 1885 NZ LYS A 123 -27.910 21.697 5.318 1.00 0.00 N ATOM 0 H LYS A 123 -25.095 20.676 2.740 1.00 0.00 H new ATOM 0 HA LYS A 123 -27.672 19.419 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -26.218 21.459 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -27.889 20.980 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -26.777 22.294 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -27.629 23.134 1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -29.389 22.764 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -29.512 21.315 2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -29.663 20.705 4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -28.176 20.061 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -28.098 21.262 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -26.895 21.630 5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -28.193 22.697 5.341 1.00 0.00 H new ATOM 1899 N GLU A 124 -25.213 18.345 0.805 1.00 0.00 N ATOM 1900 CA GLU A 124 -24.752 17.382 -0.192 1.00 0.00 C ATOM 1901 C GLU A 124 -24.960 15.951 0.285 1.00 0.00 C ATOM 1902 O GLU A 124 -25.081 15.026 -0.519 1.00 0.00 O ATOM 1903 CB GLU A 124 -23.271 17.589 -0.508 1.00 0.00 C ATOM 1904 CG GLU A 124 -22.716 16.590 -1.510 1.00 0.00 C ATOM 1905 CD GLU A 124 -23.248 16.807 -2.915 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -24.039 17.755 -3.113 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -22.871 16.032 -3.819 1.00 0.00 O ATOM 0 H GLU A 124 -24.476 18.698 1.416 1.00 0.00 H new ATOM 0 HA GLU A 124 -25.342 17.548 -1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -23.129 18.597 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -22.698 17.520 0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -21.628 16.662 -1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -22.965 15.580 -1.184 1.00 0.00 H new ATOM 1914 N ILE A 125 -24.995 15.778 1.600 1.00 0.00 N ATOM 1915 CA ILE A 125 -25.180 14.473 2.199 1.00 0.00 C ATOM 1916 C ILE A 125 -26.574 14.391 2.781 1.00 0.00 C ATOM 1917 O ILE A 125 -27.078 13.315 3.085 1.00 0.00 O ATOM 1918 CB ILE A 125 -24.141 14.233 3.303 1.00 0.00 C ATOM 1919 CG1 ILE A 125 -22.735 14.570 2.794 1.00 0.00 C ATOM 1920 CG2 ILE A 125 -24.210 12.793 3.764 1.00 0.00 C ATOM 1921 CD1 ILE A 125 -21.651 14.408 3.840 1.00 0.00 C ATOM 0 H ILE A 125 -24.896 16.537 2.274 1.00 0.00 H new ATOM 0 HA ILE A 125 -25.051 13.707 1.434 1.00 0.00 H new ATOM 0 HB ILE A 125 -24.362 14.884 4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -22.504 13.930 1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -22.727 15.598 2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -23.471 12.626 4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -25.206 12.583 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -24.003 12.131 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -20.685 14.664 3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -21.857 15.068 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -21.631 13.374 4.186 1.00 0.00 H new ATOM 1933 N ASP A 126 -27.182 15.564 2.924 1.00 0.00 N ATOM 1934 CA ASP A 126 -28.521 15.690 3.467 1.00 0.00 C ATOM 1935 C ASP A 126 -29.588 15.325 2.445 1.00 0.00 C ATOM 1936 O ASP A 126 -30.171 16.192 1.792 1.00 0.00 O ATOM 1937 CB ASP A 126 -28.728 17.107 3.980 1.00 0.00 C ATOM 1938 CG ASP A 126 -30.185 17.492 4.100 1.00 0.00 C ATOM 1939 OD1 ASP A 126 -30.929 16.765 4.779 1.00 0.00 O ATOM 1940 OD2 ASP A 126 -30.580 18.522 3.513 1.00 0.00 O ATOM 0 H ASP A 126 -26.755 16.453 2.665 1.00 0.00 H new ATOM 0 HA ASP A 126 -28.621 14.985 4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -28.252 17.206 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -28.229 17.806 3.309 1.00 0.00 H new ATOM 1945 N GLN A 127 -29.846 14.033 2.315 1.00 0.00 N ATOM 1946 CA GLN A 127 -30.851 13.559 1.384 1.00 0.00 C ATOM 1947 C GLN A 127 -32.239 13.501 2.031 1.00 0.00 C ATOM 1948 O GLN A 127 -33.227 13.263 1.336 1.00 0.00 O ATOM 1949 CB GLN A 127 -30.476 12.186 0.809 1.00 0.00 C ATOM 1950 CG GLN A 127 -29.191 12.191 -0.009 1.00 0.00 C ATOM 1951 CD GLN A 127 -27.958 11.830 0.804 1.00 0.00 C ATOM 1952 OE1 GLN A 127 -28.161 11.188 1.951 1.00 0.00 O flip ATOM 1953 NE2 GLN A 127 -26.831 12.095 0.386 1.00 0.00 N flip ATOM 0 H GLN A 127 -29.374 13.298 2.842 1.00 0.00 H new ATOM 0 HA GLN A 127 -30.889 14.277 0.565 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -30.371 11.476 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -31.293 11.830 0.182 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -29.292 11.487 -0.835 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -29.052 13.179 -0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -26.719 12.589 -0.499 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -26.010 11.820 0.925 1.00 0.00 H new ATOM 1962 N ASP A 128 -32.333 13.689 3.359 1.00 0.00 N ATOM 1963 CA ASP A 128 -33.647 13.609 4.004 1.00 0.00 C ATOM 1964 C ASP A 128 -34.123 14.922 4.644 1.00 0.00 C ATOM 1965 O ASP A 128 -35.322 15.202 4.601 1.00 0.00 O ATOM 1966 CB ASP A 128 -33.610 12.541 5.101 1.00 0.00 C ATOM 1967 CG ASP A 128 -34.919 12.414 5.856 1.00 0.00 C ATOM 1968 OD1 ASP A 128 -35.945 12.938 5.373 1.00 0.00 O ATOM 1969 OD2 ASP A 128 -34.924 11.767 6.922 1.00 0.00 O ATOM 0 H ASP A 128 -31.550 13.889 3.981 1.00 0.00 H new ATOM 0 HA ASP A 128 -34.349 13.365 3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -33.361 11.579 4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -32.814 12.781 5.806 1.00 0.00 H new ATOM 1974 N ASN A 129 -33.228 15.744 5.227 1.00 0.00 N ATOM 1975 CA ASN A 129 -33.703 17.000 5.834 1.00 0.00 C ATOM 1976 C ASN A 129 -32.638 17.912 6.491 1.00 0.00 C ATOM 1977 O ASN A 129 -32.215 18.922 5.927 1.00 0.00 O ATOM 1978 CB ASN A 129 -34.811 16.698 6.858 1.00 0.00 C ATOM 1979 CG ASN A 129 -34.458 15.586 7.842 1.00 0.00 C ATOM 1980 OD1 ASN A 129 -33.249 15.038 7.740 1.00 0.00 O flip ATOM 1981 ND2 ASN A 129 -35.272 15.225 8.692 1.00 0.00 N flip ATOM 0 H ASN A 129 -32.224 15.574 5.290 1.00 0.00 H new ATOM 0 HA ASN A 129 -34.067 17.577 4.984 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -35.033 17.607 7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -35.720 16.422 6.324 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -36.189 15.668 8.740 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -35.029 14.483 9.348 1.00 0.00 H new ATOM 1988 N ASP A 130 -32.344 17.591 7.754 1.00 0.00 N ATOM 1989 CA ASP A 130 -31.482 18.377 8.654 1.00 0.00 C ATOM 1990 C ASP A 130 -29.985 18.521 8.309 1.00 0.00 C ATOM 1991 O ASP A 130 -29.220 18.923 9.186 1.00 0.00 O ATOM 1992 CB ASP A 130 -31.596 17.747 10.046 1.00 0.00 C ATOM 1993 CG ASP A 130 -30.967 18.587 11.134 1.00 0.00 C ATOM 1994 OD1 ASP A 130 -31.402 19.744 11.314 1.00 0.00 O ATOM 1995 OD2 ASP A 130 -30.042 18.089 11.808 1.00 0.00 O ATOM 0 H ASP A 130 -32.710 16.749 8.197 1.00 0.00 H new ATOM 0 HA ASP A 130 -31.855 19.398 8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -32.649 17.589 10.281 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -31.121 16.766 10.033 1.00 0.00 H new ATOM 2000 N GLY A 131 -29.525 18.231 7.095 1.00 0.00 N ATOM 2001 CA GLY A 131 -28.101 18.401 6.866 1.00 0.00 C ATOM 2002 C GLY A 131 -27.335 17.575 7.870 1.00 0.00 C ATOM 2003 O GLY A 131 -26.323 17.998 8.441 1.00 0.00 O ATOM 0 H GLY A 131 -30.077 17.899 6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -27.844 18.093 5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -27.829 19.452 6.959 1.00 0.00 H new ATOM 2007 N GLN A 132 -27.885 16.407 8.115 1.00 0.00 N ATOM 2008 CA GLN A 132 -27.354 15.474 9.074 1.00 0.00 C ATOM 2009 C GLN A 132 -27.346 14.106 8.460 1.00 0.00 C ATOM 2010 O GLN A 132 -27.971 13.892 7.432 1.00 0.00 O ATOM 2011 CB GLN A 132 -28.209 15.423 10.321 1.00 0.00 C ATOM 2012 CG GLN A 132 -29.520 14.714 10.070 1.00 0.00 C ATOM 2013 CD GLN A 132 -30.146 14.152 11.325 1.00 0.00 C ATOM 2014 OE1 GLN A 132 -30.132 12.831 11.434 1.00 0.00 O flip ATOM 2015 NE2 GLN A 132 -30.613 14.891 12.191 1.00 0.00 N flip ATOM 0 H GLN A 132 -28.727 16.077 7.644 1.00 0.00 H new ATOM 0 HA GLN A 132 -26.349 15.796 9.346 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -27.665 14.912 11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -28.404 16.437 10.670 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -30.218 15.410 9.605 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -29.357 13.904 9.360 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -30.600 15.902 12.060 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -31.013 14.492 13.040 1.00 0.00 H new ATOM 2024 N ILE A 133 -26.666 13.180 9.088 1.00 0.00 N ATOM 2025 CA ILE A 133 -26.603 11.855 8.576 1.00 0.00 C ATOM 2026 C ILE A 133 -26.956 10.832 9.636 1.00 0.00 C ATOM 2027 O ILE A 133 -26.376 10.778 10.707 1.00 0.00 O ATOM 2028 CB ILE A 133 -25.229 11.640 7.962 1.00 0.00 C ATOM 2029 CG1 ILE A 133 -25.255 12.240 6.568 1.00 0.00 C ATOM 2030 CG2 ILE A 133 -24.851 10.176 7.926 1.00 0.00 C ATOM 2031 CD1 ILE A 133 -26.119 11.436 5.617 1.00 0.00 C ATOM 0 H ILE A 133 -26.151 13.330 9.955 1.00 0.00 H new ATOM 0 HA ILE A 133 -27.350 11.718 7.794 1.00 0.00 H new ATOM 0 HB ILE A 133 -24.469 12.128 8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -25.629 13.262 6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -24.239 12.292 6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -23.862 10.066 7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -24.837 9.779 8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -25.580 9.626 7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -26.108 11.903 4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -25.730 10.421 5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -27.142 11.406 5.992 1.00 0.00 H new ATOM 2043 N ASP A 134 -27.923 10.020 9.293 1.00 0.00 N ATOM 2044 CA ASP A 134 -28.430 8.979 10.174 1.00 0.00 C ATOM 2045 C ASP A 134 -27.905 7.617 9.763 1.00 0.00 C ATOM 2046 O ASP A 134 -27.634 7.382 8.600 1.00 0.00 O ATOM 2047 CB ASP A 134 -29.952 8.944 10.066 1.00 0.00 C ATOM 2048 CG ASP A 134 -30.628 8.312 11.266 1.00 0.00 C ATOM 2049 OD1 ASP A 134 -30.643 8.947 12.340 1.00 0.00 O ATOM 2050 OD2 ASP A 134 -31.137 7.180 11.132 1.00 0.00 O ATOM 0 H ASP A 134 -28.390 10.057 8.387 1.00 0.00 H new ATOM 0 HA ASP A 134 -28.105 9.200 11.191 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -30.323 9.961 9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -30.232 8.392 9.169 1.00 0.00 H new ATOM 2055 N TYR A 135 -27.792 6.715 10.720 1.00 0.00 N ATOM 2056 CA TYR A 135 -27.334 5.365 10.438 1.00 0.00 C ATOM 2057 C TYR A 135 -27.945 4.842 9.143 1.00 0.00 C ATOM 2058 O TYR A 135 -27.254 4.245 8.317 1.00 0.00 O ATOM 2059 CB TYR A 135 -27.695 4.467 11.609 1.00 0.00 C ATOM 2060 CG TYR A 135 -27.612 2.984 11.313 1.00 0.00 C ATOM 2061 CD1 TYR A 135 -26.421 2.402 10.889 1.00 0.00 C ATOM 2062 CD2 TYR A 135 -28.728 2.166 11.453 1.00 0.00 C ATOM 2063 CE1 TYR A 135 -26.346 1.050 10.613 1.00 0.00 C ATOM 2064 CE2 TYR A 135 -28.658 0.813 11.180 1.00 0.00 C ATOM 2065 CZ TYR A 135 -27.467 0.260 10.761 1.00 0.00 C ATOM 2066 OH TYR A 135 -27.395 -1.086 10.488 1.00 0.00 O ATOM 0 H TYR A 135 -28.011 6.892 11.700 1.00 0.00 H new ATOM 0 HA TYR A 135 -26.252 5.371 10.307 1.00 0.00 H new ATOM 0 HB2 TYR A 135 -27.032 4.696 12.443 1.00 0.00 H new ATOM 0 HB3 TYR A 135 -28.708 4.704 11.933 1.00 0.00 H new ATOM 0 HD1 TYR A 135 -25.541 3.017 10.774 1.00 0.00 H new ATOM 0 HD2 TYR A 135 -29.664 2.595 11.780 1.00 0.00 H new ATOM 0 HE1 TYR A 135 -25.415 0.614 10.283 1.00 0.00 H new ATOM 0 HE2 TYR A 135 -29.534 0.191 11.295 1.00 0.00 H new ATOM 0 HH TYR A 135 -28.270 -1.499 10.643 1.00 0.00 H new ATOM 2076 N GLY A 136 -29.235 5.098 8.957 1.00 0.00 N ATOM 2077 CA GLY A 136 -29.898 4.673 7.742 1.00 0.00 C ATOM 2078 C GLY A 136 -29.663 5.664 6.625 1.00 0.00 C ATOM 2079 O GLY A 136 -29.633 5.300 5.450 1.00 0.00 O ATOM 0 H GLY A 136 -29.830 5.590 9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -29.529 3.691 7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -30.968 4.570 7.923 1.00 0.00 H new ATOM 2083 N GLU A 137 -29.465 6.923 7.005 1.00 0.00 N ATOM 2084 CA GLU A 137 -29.193 7.978 6.045 1.00 0.00 C ATOM 2085 C GLU A 137 -27.819 7.772 5.430 1.00 0.00 C ATOM 2086 O GLU A 137 -27.703 7.605 4.218 1.00 0.00 O ATOM 2087 CB GLU A 137 -29.285 9.341 6.711 1.00 0.00 C ATOM 2088 CG GLU A 137 -30.707 9.842 6.883 1.00 0.00 C ATOM 2089 CD GLU A 137 -30.801 11.044 7.803 1.00 0.00 C ATOM 2090 OE1 GLU A 137 -30.049 12.016 7.590 1.00 0.00 O ATOM 2091 OE2 GLU A 137 -31.636 11.017 8.732 1.00 0.00 O ATOM 0 H GLU A 137 -29.489 7.234 7.976 1.00 0.00 H new ATOM 0 HA GLU A 137 -29.941 7.938 5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -28.806 9.291 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -28.724 10.064 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -31.115 10.105 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -31.325 9.037 7.281 1.00 0.00 H new ATOM 2098 N PHE A 138 -26.774 7.754 6.268 1.00 0.00 N ATOM 2099 CA PHE A 138 -25.423 7.520 5.778 1.00 0.00 C ATOM 2100 C PHE A 138 -25.402 6.279 4.900 1.00 0.00 C ATOM 2101 O PHE A 138 -24.475 6.060 4.123 1.00 0.00 O ATOM 2102 CB PHE A 138 -24.412 7.286 6.902 1.00 0.00 C ATOM 2103 CG PHE A 138 -23.015 7.462 6.400 1.00 0.00 C ATOM 2104 CD1 PHE A 138 -22.617 8.654 5.799 1.00 0.00 C ATOM 2105 CD2 PHE A 138 -22.111 6.425 6.493 1.00 0.00 C ATOM 2106 CE1 PHE A 138 -21.335 8.796 5.308 1.00 0.00 C ATOM 2107 CE2 PHE A 138 -20.829 6.564 6.005 1.00 0.00 C ATOM 2108 CZ PHE A 138 -20.439 7.751 5.412 1.00 0.00 C ATOM 0 H PHE A 138 -26.843 7.898 7.275 1.00 0.00 H new ATOM 0 HA PHE A 138 -25.142 8.419 5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 138 -24.601 7.983 7.719 1.00 0.00 H new ATOM 0 HB3 PHE A 138 -24.535 6.281 7.305 1.00 0.00 H new ATOM 0 HD1 PHE A 138 -23.317 9.473 5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 138 -22.410 5.495 6.953 1.00 0.00 H new ATOM 0 HE1 PHE A 138 -21.033 9.723 4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 138 -20.129 5.746 6.086 1.00 0.00 H new ATOM 0 HZ PHE A 138 -19.434 7.860 5.031 1.00 0.00 H new ATOM 2118 N ALA A 139 -26.433 5.463 5.048 1.00 0.00 N ATOM 2119 CA ALA A 139 -26.551 4.239 4.289 1.00 0.00 C ATOM 2120 C ALA A 139 -27.038 4.533 2.871 1.00 0.00 C ATOM 2121 O ALA A 139 -26.555 3.944 1.904 1.00 0.00 O ATOM 2122 CB ALA A 139 -27.481 3.286 5.027 1.00 0.00 C ATOM 0 H ALA A 139 -27.204 5.633 5.694 1.00 0.00 H new ATOM 0 HA ALA A 139 -25.575 3.763 4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -27.576 2.359 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -27.071 3.069 6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -28.463 3.747 5.136 1.00 0.00 H new ATOM 2128 N ALA A 140 -27.987 5.463 2.755 1.00 0.00 N ATOM 2129 CA ALA A 140 -28.529 5.855 1.456 1.00 0.00 C ATOM 2130 C ALA A 140 -27.742 7.014 0.841 1.00 0.00 C ATOM 2131 O ALA A 140 -27.917 7.328 -0.332 1.00 0.00 O ATOM 2132 CB ALA A 140 -29.993 6.238 1.598 1.00 0.00 C ATOM 0 H ALA A 140 -28.396 5.959 3.547 1.00 0.00 H new ATOM 0 HA ALA A 140 -28.439 5.000 0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -30.389 6.529 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -30.557 5.386 1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -30.085 7.074 2.292 1.00 0.00 H new ATOM 2138 N MET A 141 -26.890 7.661 1.638 1.00 0.00 N ATOM 2139 CA MET A 141 -26.108 8.794 1.159 1.00 0.00 C ATOM 2140 C MET A 141 -25.286 8.418 -0.071 1.00 0.00 C ATOM 2141 O MET A 141 -24.991 9.265 -0.913 1.00 0.00 O ATOM 2142 CB MET A 141 -25.211 9.323 2.283 1.00 0.00 C ATOM 2143 CG MET A 141 -24.008 8.448 2.598 1.00 0.00 C ATOM 2144 SD MET A 141 -22.594 8.783 1.530 1.00 0.00 S ATOM 2145 CE MET A 141 -22.152 10.439 2.057 1.00 0.00 C ATOM 0 H MET A 141 -26.727 7.418 2.615 1.00 0.00 H new ATOM 0 HA MET A 141 -26.794 9.586 0.860 1.00 0.00 H new ATOM 0 HB2 MET A 141 -24.859 10.318 2.011 1.00 0.00 H new ATOM 0 HB3 MET A 141 -25.810 9.433 3.187 1.00 0.00 H new ATOM 0 HG2 MET A 141 -23.716 8.602 3.637 1.00 0.00 H new ATOM 0 HG3 MET A 141 -24.292 7.400 2.498 1.00 0.00 H new ATOM 0 HE1 MET A 141 -21.074 10.575 1.965 1.00 0.00 H new ATOM 0 HE2 MET A 141 -22.665 11.169 1.431 1.00 0.00 H new ATOM 0 HE3 MET A 141 -22.448 10.581 3.096 1.00 0.00 H new ATOM 2155 N MET A 142 -24.934 7.140 -0.179 1.00 0.00 N ATOM 2156 CA MET A 142 -24.165 6.656 -1.319 1.00 0.00 C ATOM 2157 C MET A 142 -25.079 5.930 -2.302 1.00 0.00 C ATOM 2158 O MET A 142 -24.758 5.788 -3.481 1.00 0.00 O ATOM 2159 CB MET A 142 -23.038 5.731 -0.856 1.00 0.00 C ATOM 2160 CG MET A 142 -23.518 4.540 -0.045 1.00 0.00 C ATOM 2161 SD MET A 142 -22.161 3.497 0.520 1.00 0.00 S ATOM 2162 CE MET A 142 -23.055 2.238 1.426 1.00 0.00 C ATOM 0 H MET A 142 -25.169 6.423 0.508 1.00 0.00 H new ATOM 0 HA MET A 142 -23.719 7.513 -1.823 1.00 0.00 H new ATOM 0 HB2 MET A 142 -22.495 5.369 -1.729 1.00 0.00 H new ATOM 0 HB3 MET A 142 -22.331 6.306 -0.257 1.00 0.00 H new ATOM 0 HG2 MET A 142 -24.082 4.895 0.817 1.00 0.00 H new ATOM 0 HG3 MET A 142 -24.202 3.945 -0.650 1.00 0.00 H new ATOM 0 HE1 MET A 142 -22.350 1.516 1.838 1.00 0.00 H new ATOM 0 HE2 MET A 142 -23.615 2.702 2.238 1.00 0.00 H new ATOM 0 HE3 MET A 142 -23.746 1.728 0.755 1.00 0.00 H new