USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.4) USER MOD Single : A 19 THR OG1 : rot 27:sc= -0.513 USER MOD Single : A 22 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.38) USER MOD Single : A 23 LYS NZ :NH3+ -140:sc= -0.147 (180deg=-2!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.485 USER MOD Single : A 41 ASN : amide:sc= -0.0462 K(o=-0.046,f=-1.3!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.0666 X(o=-0.067,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.0068) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0799 X(o=-0.08,f=0) USER MOD Single : A 60 THR OG1 : rot 130:sc= 0.962 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -4.16! C(o=-4.2!,f=-15!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.63) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 79 THR OG1 : rot -150:sc= -3.84! USER MOD Single : A 80 HIS : no HE2:sc= -5.6! C(o=-5.6!,f=-9.4!) USER MOD Single : A 81 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.24) USER MOD Single : A 89 GLN : amide:sc= -0.0882 K(o=-0.088,f=-0.7) USER MOD Single : A 95 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.2) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 4.508 -6.715 2.592 1.00 0.00 N ATOM 206 CA HIS A 17 5.444 -5.902 3.349 1.00 0.00 C ATOM 207 C HIS A 17 4.806 -4.548 3.669 1.00 0.00 C ATOM 208 O HIS A 17 4.495 -3.775 2.764 1.00 0.00 O ATOM 209 CB HIS A 17 6.774 -5.769 2.604 1.00 0.00 C ATOM 210 CG HIS A 17 7.989 -5.999 3.471 1.00 0.00 C ATOM 211 ND1 HIS A 17 8.087 -7.057 4.358 1.00 0.00 N ATOM 212 CD2 HIS A 17 9.154 -5.298 3.577 1.00 0.00 C ATOM 213 CE1 HIS A 17 9.263 -6.986 4.966 1.00 0.00 C ATOM 214 NE2 HIS A 17 9.922 -5.895 4.481 1.00 0.00 N ATOM 0 HA HIS A 17 5.672 -6.390 4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.789 -6.481 1.779 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.836 -4.773 2.167 1.00 0.00 H new ATOM 0 HD2 HIS A 17 9.409 -4.408 3.020 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.634 -7.671 5.714 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.852 -5.588 4.766 1.00 0.00 H new ATOM 222 N VAL A 18 4.631 -4.303 4.959 1.00 0.00 N ATOM 223 CA VAL A 18 4.036 -3.056 5.409 1.00 0.00 C ATOM 224 C VAL A 18 5.060 -1.928 5.271 1.00 0.00 C ATOM 225 O VAL A 18 6.264 -2.166 5.340 1.00 0.00 O ATOM 226 CB VAL A 18 3.509 -3.213 6.837 1.00 0.00 C ATOM 227 CG1 VAL A 18 4.652 -3.152 7.853 1.00 0.00 C ATOM 228 CG2 VAL A 18 2.442 -2.161 7.147 1.00 0.00 C ATOM 0 H VAL A 18 4.891 -4.946 5.707 1.00 0.00 H new ATOM 0 HA VAL A 18 3.180 -2.796 4.787 1.00 0.00 H new ATOM 0 HB VAL A 18 3.043 -4.195 6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.250 -3.266 8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.361 -3.955 7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.160 -2.191 7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.084 -2.295 8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.872 -1.165 7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.609 -2.272 6.453 1.00 0.00 H new ATOM 238 N THR A 19 4.543 -0.723 5.077 1.00 0.00 N ATOM 239 CA THR A 19 5.397 0.443 4.928 1.00 0.00 C ATOM 240 C THR A 19 4.913 1.578 5.832 1.00 0.00 C ATOM 241 O THR A 19 3.938 2.257 5.514 1.00 0.00 O ATOM 242 CB THR A 19 5.430 0.818 3.445 1.00 0.00 C ATOM 243 OG1 THR A 19 6.516 0.061 2.919 1.00 0.00 O ATOM 244 CG2 THR A 19 5.846 2.273 3.219 1.00 0.00 C ATOM 0 H THR A 19 3.543 -0.529 5.020 1.00 0.00 H new ATOM 0 HA THR A 19 6.417 0.230 5.247 1.00 0.00 H new ATOM 0 HB THR A 19 4.447 0.649 3.006 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.644 -0.746 3.460 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.853 2.488 2.150 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.138 2.935 3.717 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.843 2.434 3.628 1.00 0.00 H new ATOM 252 N ILE A 20 5.617 1.749 6.942 1.00 0.00 N ATOM 253 CA ILE A 20 5.271 2.790 7.894 1.00 0.00 C ATOM 254 C ILE A 20 6.134 4.025 7.629 1.00 0.00 C ATOM 255 O ILE A 20 7.330 4.024 7.917 1.00 0.00 O ATOM 256 CB ILE A 20 5.376 2.262 9.327 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.371 1.134 9.570 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.221 3.397 10.342 1.00 0.00 C ATOM 259 CD1 ILE A 20 2.944 1.679 9.653 1.00 0.00 C ATOM 0 H ILE A 20 6.425 1.184 7.203 1.00 0.00 H new ATOM 0 HA ILE A 20 4.232 3.093 7.766 1.00 0.00 H new ATOM 0 HB ILE A 20 6.372 1.841 9.465 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.438 0.402 8.765 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.620 0.614 10.495 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.300 2.995 11.352 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.006 4.136 10.184 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.247 3.869 10.214 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.250 0.857 9.826 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.874 2.392 10.475 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.690 2.177 8.718 1.00 0.00 H new ATOM 271 N LEU A 21 5.494 5.048 7.083 1.00 0.00 N ATOM 272 CA LEU A 21 6.188 6.287 6.776 1.00 0.00 C ATOM 273 C LEU A 21 6.049 7.251 7.955 1.00 0.00 C ATOM 274 O LEU A 21 4.939 7.521 8.413 1.00 0.00 O ATOM 275 CB LEU A 21 5.692 6.864 5.448 1.00 0.00 C ATOM 276 CG LEU A 21 6.709 6.886 4.305 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.538 5.600 4.283 1.00 0.00 C ATOM 278 CD2 LEU A 21 6.021 7.147 2.964 1.00 0.00 C ATOM 0 H LEU A 21 4.502 5.044 6.845 1.00 0.00 H new ATOM 0 HA LEU A 21 7.254 6.102 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.825 6.288 5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.350 7.884 5.623 1.00 0.00 H new ATOM 0 HG LEU A 21 7.400 7.711 4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.253 5.642 3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.075 5.497 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.878 4.744 4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.766 7.158 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.293 6.359 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.512 8.110 2.997 1.00 0.00 H new ATOM 290 N HIS A 22 7.190 7.744 8.414 1.00 0.00 N ATOM 291 CA HIS A 22 7.209 8.672 9.532 1.00 0.00 C ATOM 292 C HIS A 22 7.336 10.104 9.008 1.00 0.00 C ATOM 293 O HIS A 22 8.416 10.523 8.593 1.00 0.00 O ATOM 294 CB HIS A 22 8.313 8.304 10.525 1.00 0.00 C ATOM 295 CG HIS A 22 8.429 6.822 10.792 1.00 0.00 C ATOM 296 ND1 HIS A 22 7.557 6.139 11.621 1.00 0.00 N ATOM 297 CD2 HIS A 22 9.323 5.901 10.331 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.919 4.865 11.651 1.00 0.00 C ATOM 299 NE2 HIS A 22 9.015 4.720 10.852 1.00 0.00 N ATOM 0 H HIS A 22 8.108 7.518 8.032 1.00 0.00 H new ATOM 0 HA HIS A 22 6.270 8.605 10.081 1.00 0.00 H new ATOM 0 HB2 HIS A 22 9.267 8.670 10.145 1.00 0.00 H new ATOM 0 HB3 HIS A 22 8.127 8.819 11.467 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.143 6.099 9.656 1.00 0.00 H new ATOM 0 HE1 HIS A 22 7.432 4.079 12.210 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.515 3.847 10.683 1.00 0.00 H new ATOM 307 N LYS A 23 6.219 10.815 9.044 1.00 0.00 N ATOM 308 CA LYS A 23 6.191 12.190 8.578 1.00 0.00 C ATOM 309 C LYS A 23 5.294 13.019 9.499 1.00 0.00 C ATOM 310 O LYS A 23 4.628 12.473 10.378 1.00 0.00 O ATOM 311 CB LYS A 23 5.781 12.249 7.105 1.00 0.00 C ATOM 312 CG LYS A 23 4.267 12.091 6.951 1.00 0.00 C ATOM 313 CD LYS A 23 3.926 10.819 6.171 1.00 0.00 C ATOM 314 CE LYS A 23 2.418 10.709 5.935 1.00 0.00 C ATOM 315 NZ LYS A 23 1.684 10.807 7.217 1.00 0.00 N ATOM 0 H LYS A 23 5.326 10.464 9.389 1.00 0.00 H new ATOM 0 HA LYS A 23 7.188 12.628 8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.097 13.199 6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.291 11.462 6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.799 12.055 7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.858 12.959 6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.448 10.824 5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.276 9.946 6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.091 11.500 5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.188 9.761 5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.896 10.128 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.329 10.591 8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.311 11.771 7.330 1.00 0.00 H new ATOM 329 N GLU A 24 5.306 14.324 9.268 1.00 0.00 N ATOM 330 CA GLU A 24 4.502 15.233 10.067 1.00 0.00 C ATOM 331 C GLU A 24 3.104 15.374 9.463 1.00 0.00 C ATOM 332 O GLU A 24 2.843 14.876 8.369 1.00 0.00 O ATOM 333 CB GLU A 24 5.184 16.596 10.198 1.00 0.00 C ATOM 334 CG GLU A 24 6.319 16.546 11.222 1.00 0.00 C ATOM 335 CD GLU A 24 6.581 17.930 11.819 1.00 0.00 C ATOM 336 OE1 GLU A 24 5.580 18.615 12.123 1.00 0.00 O ATOM 337 OE2 GLU A 24 7.775 18.272 11.958 1.00 0.00 O ATOM 0 H GLU A 24 5.860 14.773 8.539 1.00 0.00 H new ATOM 0 HA GLU A 24 4.403 14.816 11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.577 16.904 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.452 17.346 10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.065 15.845 12.017 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.226 16.174 10.746 1.00 0.00 H new ATOM 344 N GLU A 25 2.241 16.056 10.202 1.00 0.00 N ATOM 345 CA GLU A 25 0.876 16.269 9.753 1.00 0.00 C ATOM 346 C GLU A 25 0.867 16.968 8.392 1.00 0.00 C ATOM 347 O GLU A 25 1.093 18.175 8.308 1.00 0.00 O ATOM 348 CB GLU A 25 0.078 17.069 10.785 1.00 0.00 C ATOM 349 CG GLU A 25 -0.820 16.151 11.616 1.00 0.00 C ATOM 350 CD GLU A 25 -1.391 16.890 12.827 1.00 0.00 C ATOM 351 OE1 GLU A 25 -2.287 17.733 12.607 1.00 0.00 O ATOM 352 OE2 GLU A 25 -0.917 16.596 13.946 1.00 0.00 O ATOM 0 H GLU A 25 2.461 16.468 11.109 1.00 0.00 H new ATOM 0 HA GLU A 25 0.395 15.297 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.762 17.606 11.442 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.531 17.818 10.278 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.635 15.777 10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.250 15.284 11.950 1.00 0.00 H new ATOM 359 N GLY A 26 0.605 16.181 7.360 1.00 0.00 N ATOM 360 CA GLY A 26 0.564 16.709 6.007 1.00 0.00 C ATOM 361 C GLY A 26 1.977 16.947 5.468 1.00 0.00 C ATOM 362 O GLY A 26 2.208 17.895 4.720 1.00 0.00 O ATOM 0 H GLY A 26 0.419 15.181 7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.035 16.012 5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.004 17.644 5.994 1.00 0.00 H new ATOM 366 N ALA A 27 2.884 16.069 5.871 1.00 0.00 N ATOM 367 CA ALA A 27 4.268 16.172 5.438 1.00 0.00 C ATOM 368 C ALA A 27 4.408 15.558 4.044 1.00 0.00 C ATOM 369 O ALA A 27 5.218 16.016 3.239 1.00 0.00 O ATOM 370 CB ALA A 27 5.176 15.496 6.467 1.00 0.00 C ATOM 0 H ALA A 27 2.688 15.284 6.492 1.00 0.00 H new ATOM 0 HA ALA A 27 4.573 17.216 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.214 15.573 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.060 15.988 7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.902 14.445 6.559 1.00 0.00 H new ATOM 376 N GLY A 28 3.608 14.530 3.801 1.00 0.00 N ATOM 377 CA GLY A 28 3.633 13.849 2.518 1.00 0.00 C ATOM 378 C GLY A 28 4.379 12.517 2.619 1.00 0.00 C ATOM 379 O GLY A 28 5.106 12.280 3.583 1.00 0.00 O ATOM 0 H GLY A 28 2.938 14.152 4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.613 13.674 2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.114 14.484 1.774 1.00 0.00 H new ATOM 383 N LEU A 29 4.173 11.681 1.612 1.00 0.00 N ATOM 384 CA LEU A 29 4.817 10.379 1.575 1.00 0.00 C ATOM 385 C LEU A 29 6.051 10.451 0.673 1.00 0.00 C ATOM 386 O LEU A 29 7.125 9.981 1.047 1.00 0.00 O ATOM 387 CB LEU A 29 3.816 9.298 1.163 1.00 0.00 C ATOM 388 CG LEU A 29 2.360 9.544 1.565 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.416 8.612 0.801 1.00 0.00 C ATOM 390 CD2 LEU A 29 2.182 9.425 3.079 1.00 0.00 C ATOM 0 H LEU A 29 3.569 11.880 0.815 1.00 0.00 H new ATOM 0 HA LEU A 29 5.164 10.097 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.859 9.185 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.136 8.350 1.595 1.00 0.00 H new ATOM 0 HG LEU A 29 2.097 10.565 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.388 8.807 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.518 8.789 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.670 7.575 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.138 9.604 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.469 8.424 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.811 10.162 3.578 1.00 0.00 H new ATOM 402 N GLY A 30 5.856 11.042 -0.497 1.00 0.00 N ATOM 403 CA GLY A 30 6.940 11.180 -1.455 1.00 0.00 C ATOM 404 C GLY A 30 6.580 10.524 -2.789 1.00 0.00 C ATOM 405 O GLY A 30 7.322 10.640 -3.762 1.00 0.00 O ATOM 0 H GLY A 30 4.964 11.431 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.159 12.236 -1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.845 10.724 -1.054 1.00 0.00 H new ATOM 409 N PHE A 31 5.440 9.849 -2.791 1.00 0.00 N ATOM 410 CA PHE A 31 4.972 9.174 -3.990 1.00 0.00 C ATOM 411 C PHE A 31 3.497 9.485 -4.254 1.00 0.00 C ATOM 412 O PHE A 31 2.814 10.045 -3.398 1.00 0.00 O ATOM 413 CB PHE A 31 5.128 7.671 -3.747 1.00 0.00 C ATOM 414 CG PHE A 31 4.066 7.076 -2.820 1.00 0.00 C ATOM 415 CD1 PHE A 31 4.142 7.283 -1.478 1.00 0.00 C ATOM 416 CD2 PHE A 31 3.046 6.342 -3.339 1.00 0.00 C ATOM 417 CE1 PHE A 31 3.156 6.731 -0.618 1.00 0.00 C ATOM 418 CE2 PHE A 31 2.060 5.790 -2.479 1.00 0.00 C ATOM 419 CZ PHE A 31 2.136 5.996 -1.136 1.00 0.00 C ATOM 0 H PHE A 31 4.827 9.755 -1.982 1.00 0.00 H new ATOM 0 HA PHE A 31 5.547 9.509 -4.854 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.090 7.153 -4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.114 7.483 -3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.952 7.867 -1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.986 6.179 -4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.216 6.895 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.250 5.207 -2.891 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.386 5.576 -0.482 1.00 0.00 H new ATOM 429 N SER A 32 3.050 9.108 -5.443 1.00 0.00 N ATOM 430 CA SER A 32 1.669 9.339 -5.830 1.00 0.00 C ATOM 431 C SER A 32 1.013 8.020 -6.243 1.00 0.00 C ATOM 432 O SER A 32 1.687 6.999 -6.365 1.00 0.00 O ATOM 433 CB SER A 32 1.580 10.355 -6.971 1.00 0.00 C ATOM 434 OG SER A 32 0.578 10.004 -7.922 1.00 0.00 O ATOM 0 H SER A 32 3.620 8.644 -6.151 1.00 0.00 H new ATOM 0 HA SER A 32 1.137 9.749 -4.971 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.362 11.341 -6.562 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.546 10.424 -7.471 1.00 0.00 H new ATOM 0 HG SER A 32 0.552 10.678 -8.633 1.00 0.00 H new ATOM 440 N LEU A 33 -0.295 8.084 -6.445 1.00 0.00 N ATOM 441 CA LEU A 33 -1.050 6.907 -6.841 1.00 0.00 C ATOM 442 C LEU A 33 -1.188 6.884 -8.365 1.00 0.00 C ATOM 443 O LEU A 33 -1.052 7.916 -9.020 1.00 0.00 O ATOM 444 CB LEU A 33 -2.388 6.855 -6.102 1.00 0.00 C ATOM 445 CG LEU A 33 -2.310 6.852 -4.574 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.473 6.064 -3.967 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.954 6.331 -4.095 1.00 0.00 C ATOM 0 H LEU A 33 -0.851 8.933 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.519 5.999 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.986 7.711 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.922 5.960 -6.421 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.401 7.881 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.394 6.078 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.417 6.519 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.438 5.033 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.925 6.339 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.808 5.312 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.161 6.970 -4.484 1.00 0.00 H new ATOM 459 N ALA A 34 -1.455 5.695 -8.885 1.00 0.00 N ATOM 460 CA ALA A 34 -1.613 5.524 -10.319 1.00 0.00 C ATOM 461 C ALA A 34 -2.817 4.619 -10.591 1.00 0.00 C ATOM 462 O ALA A 34 -3.157 3.769 -9.769 1.00 0.00 O ATOM 463 CB ALA A 34 -0.318 4.965 -10.912 1.00 0.00 C ATOM 0 H ALA A 34 -1.566 4.841 -8.339 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.805 6.483 -10.801 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.436 4.837 -11.988 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.500 5.658 -10.717 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.094 4.002 -10.454 1.00 0.00 H new ATOM 469 N GLY A 35 -3.428 4.832 -11.747 1.00 0.00 N ATOM 470 CA GLY A 35 -4.586 4.047 -12.137 1.00 0.00 C ATOM 471 C GLY A 35 -5.790 4.366 -11.248 1.00 0.00 C ATOM 472 O GLY A 35 -5.707 5.220 -10.367 1.00 0.00 O ATOM 0 H GLY A 35 -3.143 5.537 -12.426 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.834 4.251 -13.178 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.350 2.985 -12.068 1.00 0.00 H new ATOM 476 N GLY A 36 -6.882 3.663 -11.511 1.00 0.00 N ATOM 477 CA GLY A 36 -8.102 3.861 -10.746 1.00 0.00 C ATOM 478 C GLY A 36 -9.115 2.751 -11.032 1.00 0.00 C ATOM 479 O GLY A 36 -8.745 1.673 -11.494 1.00 0.00 O ATOM 0 H GLY A 36 -6.948 2.956 -12.243 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.869 3.880 -9.681 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.538 4.829 -10.994 1.00 0.00 H new ATOM 483 N ALA A 37 -10.373 3.053 -10.746 1.00 0.00 N ATOM 484 CA ALA A 37 -11.442 2.094 -10.967 1.00 0.00 C ATOM 485 C ALA A 37 -12.009 2.285 -12.375 1.00 0.00 C ATOM 486 O ALA A 37 -12.266 1.312 -13.082 1.00 0.00 O ATOM 487 CB ALA A 37 -12.507 2.259 -9.882 1.00 0.00 C ATOM 0 H ALA A 37 -10.676 3.949 -10.363 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.063 1.074 -10.900 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.309 1.540 -10.047 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.060 2.085 -8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.912 3.270 -9.921 1.00 0.00 H new ATOM 493 N ASP A 38 -12.189 3.546 -12.740 1.00 0.00 N ATOM 494 CA ASP A 38 -12.722 3.877 -14.051 1.00 0.00 C ATOM 495 C ASP A 38 -11.641 3.645 -15.109 1.00 0.00 C ATOM 496 O ASP A 38 -11.939 3.577 -16.301 1.00 0.00 O ATOM 497 CB ASP A 38 -13.143 5.346 -14.119 1.00 0.00 C ATOM 498 CG ASP A 38 -13.723 5.791 -15.463 1.00 0.00 C ATOM 499 OD1 ASP A 38 -14.753 5.203 -15.859 1.00 0.00 O ATOM 500 OD2 ASP A 38 -13.123 6.707 -16.065 1.00 0.00 O ATOM 0 H ASP A 38 -11.975 4.351 -12.151 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.591 3.244 -14.232 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.884 5.532 -13.341 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.277 5.967 -13.890 1.00 0.00 H new ATOM 505 N LEU A 39 -10.409 3.532 -14.635 1.00 0.00 N ATOM 506 CA LEU A 39 -9.282 3.309 -15.526 1.00 0.00 C ATOM 507 C LEU A 39 -9.148 1.811 -15.807 1.00 0.00 C ATOM 508 O LEU A 39 -9.986 1.018 -15.379 1.00 0.00 O ATOM 509 CB LEU A 39 -8.013 3.943 -14.953 1.00 0.00 C ATOM 510 CG LEU A 39 -8.039 5.464 -14.787 1.00 0.00 C ATOM 511 CD1 LEU A 39 -9.248 5.904 -13.959 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.723 5.974 -14.196 1.00 0.00 C ATOM 0 H LEU A 39 -10.166 3.591 -13.646 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.451 3.800 -16.485 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.814 3.495 -13.980 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.176 3.682 -15.601 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.144 5.914 -15.774 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.243 6.989 -13.856 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.165 5.591 -14.459 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.199 5.445 -12.971 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.768 7.058 -14.089 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.562 5.519 -13.219 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.900 5.709 -14.859 1.00 0.00 H new ATOM 524 N GLU A 40 -8.089 1.469 -16.525 1.00 0.00 N ATOM 525 CA GLU A 40 -7.835 0.080 -16.869 1.00 0.00 C ATOM 526 C GLU A 40 -7.223 -0.658 -15.676 1.00 0.00 C ATOM 527 O GLU A 40 -7.444 -1.856 -15.504 1.00 0.00 O ATOM 528 CB GLU A 40 -6.931 -0.024 -18.100 1.00 0.00 C ATOM 529 CG GLU A 40 -7.674 0.415 -19.363 1.00 0.00 C ATOM 530 CD GLU A 40 -7.520 -0.622 -20.478 1.00 0.00 C ATOM 531 OE1 GLU A 40 -6.428 -0.643 -21.086 1.00 0.00 O ATOM 532 OE2 GLU A 40 -8.497 -1.370 -20.696 1.00 0.00 O ATOM 0 H GLU A 40 -7.397 2.129 -16.878 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.786 -0.393 -17.116 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.046 0.597 -17.960 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.585 -1.051 -18.216 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.731 0.557 -19.137 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.288 1.377 -19.700 1.00 0.00 H new ATOM 539 N ASN A 41 -6.467 0.087 -14.884 1.00 0.00 N ATOM 540 CA ASN A 41 -5.822 -0.482 -13.713 1.00 0.00 C ATOM 541 C ASN A 41 -6.769 -0.381 -12.516 1.00 0.00 C ATOM 542 O ASN A 41 -6.661 0.543 -11.710 1.00 0.00 O ATOM 543 CB ASN A 41 -4.540 0.277 -13.367 1.00 0.00 C ATOM 544 CG ASN A 41 -3.421 -0.055 -14.357 1.00 0.00 C ATOM 545 OD1 ASN A 41 -3.381 -1.118 -14.953 1.00 0.00 O ATOM 546 ND2 ASN A 41 -2.519 0.912 -14.498 1.00 0.00 N ATOM 0 H ASN A 41 -6.286 1.080 -15.030 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.577 -1.521 -13.934 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.734 1.350 -13.378 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.223 0.021 -12.356 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.733 0.787 -15.136 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.613 1.778 -13.968 1.00 0.00 H new ATOM 553 N LYS A 42 -7.675 -1.345 -12.436 1.00 0.00 N ATOM 554 CA LYS A 42 -8.640 -1.376 -11.350 1.00 0.00 C ATOM 555 C LYS A 42 -7.902 -1.278 -10.014 1.00 0.00 C ATOM 556 O LYS A 42 -8.457 -0.798 -9.027 1.00 0.00 O ATOM 557 CB LYS A 42 -9.539 -2.609 -11.467 1.00 0.00 C ATOM 558 CG LYS A 42 -10.671 -2.562 -10.439 1.00 0.00 C ATOM 559 CD LYS A 42 -11.787 -1.620 -10.894 1.00 0.00 C ATOM 560 CE LYS A 42 -12.624 -1.146 -9.704 1.00 0.00 C ATOM 561 NZ LYS A 42 -14.057 -1.088 -10.069 1.00 0.00 N ATOM 0 H LYS A 42 -7.761 -2.110 -13.105 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.307 -0.516 -11.409 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.958 -2.664 -12.472 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.946 -3.511 -11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.074 -3.564 -10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.280 -2.230 -9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.355 -0.760 -11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.428 -2.130 -11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.484 -1.823 -8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.284 -0.162 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.611 -0.765 -9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.187 -0.425 -10.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.381 -2.034 -10.354 1.00 0.00 H new ATOM 575 N VAL A 43 -6.660 -1.741 -10.025 1.00 0.00 N ATOM 576 CA VAL A 43 -5.840 -1.712 -8.826 1.00 0.00 C ATOM 577 C VAL A 43 -4.855 -0.544 -8.915 1.00 0.00 C ATOM 578 O VAL A 43 -4.024 -0.496 -9.820 1.00 0.00 O ATOM 579 CB VAL A 43 -5.149 -3.063 -8.632 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.377 -3.470 -9.889 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.230 -3.038 -7.409 1.00 0.00 C ATOM 0 H VAL A 43 -6.202 -2.138 -10.845 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.459 -1.549 -7.944 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.921 -3.812 -8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.895 -4.434 -9.724 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.066 -3.548 -10.730 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.619 -2.719 -10.110 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.751 -4.010 -7.294 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.467 -2.271 -7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.816 -2.814 -6.518 1.00 0.00 H new ATOM 591 N ILE A 44 -4.982 0.369 -7.964 1.00 0.00 N ATOM 592 CA ILE A 44 -4.114 1.533 -7.924 1.00 0.00 C ATOM 593 C ILE A 44 -2.672 1.081 -7.687 1.00 0.00 C ATOM 594 O ILE A 44 -2.428 0.140 -6.933 1.00 0.00 O ATOM 595 CB ILE A 44 -4.619 2.543 -6.891 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.817 3.326 -7.431 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.490 3.468 -6.430 1.00 0.00 C ATOM 598 CD1 ILE A 44 -7.002 2.397 -7.704 1.00 0.00 C ATOM 0 H ILE A 44 -5.673 0.326 -7.215 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.132 2.054 -8.881 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.962 1.993 -6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.109 4.092 -6.713 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.535 3.841 -8.349 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.876 4.176 -5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.695 2.875 -5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.094 4.013 -7.287 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.840 2.979 -8.087 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.714 1.647 -8.441 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.297 1.902 -6.779 1.00 0.00 H new ATOM 610 N THR A 45 -1.753 1.772 -8.345 1.00 0.00 N ATOM 611 CA THR A 45 -0.341 1.453 -8.215 1.00 0.00 C ATOM 612 C THR A 45 0.472 2.724 -7.962 1.00 0.00 C ATOM 613 O THR A 45 -0.061 3.831 -8.034 1.00 0.00 O ATOM 614 CB THR A 45 0.090 0.697 -9.474 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.618 1.344 -10.527 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.433 -0.741 -9.501 1.00 0.00 C ATOM 0 H THR A 45 -1.958 2.552 -8.970 1.00 0.00 H new ATOM 0 HA THR A 45 -0.158 0.811 -7.353 1.00 0.00 H new ATOM 0 HB THR A 45 1.178 0.689 -9.538 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.396 0.918 -11.381 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.099 -1.233 -10.415 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.051 -1.284 -8.636 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.523 -0.733 -9.471 1.00 0.00 H new ATOM 624 N VAL A 46 1.749 2.524 -7.671 1.00 0.00 N ATOM 625 CA VAL A 46 2.641 3.640 -7.407 1.00 0.00 C ATOM 626 C VAL A 46 3.000 4.324 -8.727 1.00 0.00 C ATOM 627 O VAL A 46 3.869 3.851 -9.458 1.00 0.00 O ATOM 628 CB VAL A 46 3.867 3.157 -6.630 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.786 4.328 -6.273 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.453 2.383 -5.377 1.00 0.00 C ATOM 0 H VAL A 46 2.187 1.605 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 46 2.148 4.383 -6.780 1.00 0.00 H new ATOM 0 HB VAL A 46 4.425 2.477 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.650 3.957 -5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.122 4.818 -7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.241 5.043 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.344 2.051 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.861 3.030 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.858 1.516 -5.665 1.00 0.00 H new ATOM 640 N HIS A 47 2.313 5.425 -8.993 1.00 0.00 N ATOM 641 CA HIS A 47 2.549 6.178 -10.213 1.00 0.00 C ATOM 642 C HIS A 47 4.027 6.564 -10.300 1.00 0.00 C ATOM 643 O HIS A 47 4.723 6.161 -11.231 1.00 0.00 O ATOM 644 CB HIS A 47 1.615 7.388 -10.293 1.00 0.00 C ATOM 645 CG HIS A 47 1.736 8.172 -11.578 1.00 0.00 C ATOM 646 ND1 HIS A 47 1.276 9.471 -11.709 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.269 7.829 -12.785 1.00 0.00 C ATOM 648 CE1 HIS A 47 1.526 9.880 -12.944 1.00 0.00 C ATOM 649 NE2 HIS A 47 2.141 8.861 -13.610 1.00 0.00 N ATOM 0 H HIS A 47 1.593 5.814 -8.384 1.00 0.00 H new ATOM 0 HA HIS A 47 2.320 5.556 -11.079 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.585 7.048 -10.182 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.823 8.051 -9.453 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.719 6.878 -13.029 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.285 10.850 -13.352 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.451 8.888 -14.581 1.00 0.00 H new ATOM 657 N ARG A 48 4.462 7.339 -9.318 1.00 0.00 N ATOM 658 CA ARG A 48 5.845 7.784 -9.272 1.00 0.00 C ATOM 659 C ARG A 48 6.307 7.932 -7.821 1.00 0.00 C ATOM 660 O ARG A 48 5.485 8.007 -6.908 1.00 0.00 O ATOM 661 CB ARG A 48 6.018 9.121 -9.994 1.00 0.00 C ATOM 662 CG ARG A 48 6.757 8.936 -11.321 1.00 0.00 C ATOM 663 CD ARG A 48 5.812 9.135 -12.508 1.00 0.00 C ATOM 664 NE ARG A 48 6.572 9.607 -13.687 1.00 0.00 N ATOM 665 CZ ARG A 48 7.401 8.837 -14.404 1.00 0.00 C ATOM 666 NH1 ARG A 48 7.583 7.553 -14.066 1.00 0.00 N ATOM 667 NH2 ARG A 48 8.050 9.350 -15.458 1.00 0.00 N ATOM 0 H ARG A 48 3.881 7.671 -8.548 1.00 0.00 H new ATOM 0 HA ARG A 48 6.452 7.031 -9.775 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.041 9.569 -10.177 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.572 9.812 -9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.581 9.647 -11.385 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.193 7.938 -11.362 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.307 8.198 -12.742 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.039 9.858 -12.250 1.00 0.00 H new ATOM 0 HE ARG A 48 6.457 10.580 -13.971 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.090 7.162 -13.263 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.214 6.966 -14.612 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.913 10.328 -15.715 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.681 8.763 -16.003 1.00 0.00 H new ATOM 681 N VAL A 49 7.620 7.971 -7.652 1.00 0.00 N ATOM 682 CA VAL A 49 8.201 8.109 -6.328 1.00 0.00 C ATOM 683 C VAL A 49 9.246 9.227 -6.348 1.00 0.00 C ATOM 684 O VAL A 49 10.398 8.997 -6.712 1.00 0.00 O ATOM 685 CB VAL A 49 8.770 6.767 -5.863 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.137 6.811 -4.378 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.792 5.627 -6.153 1.00 0.00 C ATOM 0 H VAL A 49 8.299 7.909 -8.411 1.00 0.00 H new ATOM 0 HA VAL A 49 7.437 8.391 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 49 9.683 6.577 -6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.539 5.845 -4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.887 7.584 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.247 7.035 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.221 4.684 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.854 5.810 -5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.603 5.574 -7.225 1.00 0.00 H new ATOM 697 N PHE A 50 8.806 10.412 -5.953 1.00 0.00 N ATOM 698 CA PHE A 50 9.689 11.566 -5.921 1.00 0.00 C ATOM 699 C PHE A 50 11.099 11.165 -5.485 1.00 0.00 C ATOM 700 O PHE A 50 11.276 10.175 -4.776 1.00 0.00 O ATOM 701 CB PHE A 50 9.110 12.544 -4.896 1.00 0.00 C ATOM 702 CG PHE A 50 7.624 12.848 -5.097 1.00 0.00 C ATOM 703 CD1 PHE A 50 7.038 12.610 -6.301 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.889 13.357 -4.072 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.659 12.893 -6.487 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.510 13.640 -4.258 1.00 0.00 C ATOM 707 CZ PHE A 50 4.924 13.401 -5.462 1.00 0.00 C ATOM 0 H PHE A 50 7.849 10.599 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 50 9.757 12.010 -6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.255 12.135 -3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.671 13.477 -4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.621 12.206 -7.115 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.355 13.546 -3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.194 12.705 -7.443 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.927 14.045 -3.444 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.875 13.615 -5.604 1.00 0.00 H new ATOM 717 N PRO A 51 12.093 11.975 -5.938 1.00 0.00 N ATOM 718 CA PRO A 51 13.483 11.715 -5.603 1.00 0.00 C ATOM 719 C PRO A 51 13.779 12.105 -4.153 1.00 0.00 C ATOM 720 O PRO A 51 14.621 11.490 -3.501 1.00 0.00 O ATOM 721 CB PRO A 51 14.288 12.519 -6.611 1.00 0.00 C ATOM 722 CG PRO A 51 13.332 13.558 -7.174 1.00 0.00 C ATOM 723 CD PRO A 51 11.921 13.156 -6.780 1.00 0.00 C ATOM 0 HA PRO A 51 13.740 10.657 -5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.146 12.995 -6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.677 11.877 -7.401 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.570 14.547 -6.783 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.424 13.613 -8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.417 13.958 -6.240 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.314 12.932 -7.657 1.00 0.00 H new ATOM 731 N ASN A 52 13.071 13.126 -3.692 1.00 0.00 N ATOM 732 CA ASN A 52 13.247 13.605 -2.332 1.00 0.00 C ATOM 733 C ASN A 52 11.942 13.417 -1.556 1.00 0.00 C ATOM 734 O ASN A 52 11.123 14.332 -1.481 1.00 0.00 O ATOM 735 CB ASN A 52 13.598 15.094 -2.314 1.00 0.00 C ATOM 736 CG ASN A 52 15.041 15.313 -1.856 1.00 0.00 C ATOM 737 OD1 ASN A 52 15.419 14.997 -0.740 1.00 0.00 O ATOM 738 ND2 ASN A 52 15.822 15.870 -2.776 1.00 0.00 N ATOM 0 H ASN A 52 12.374 13.635 -4.237 1.00 0.00 H new ATOM 0 HA ASN A 52 14.059 13.037 -1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.461 15.515 -3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.917 15.624 -1.648 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.803 16.058 -2.567 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.441 16.110 -3.691 1.00 0.00 H new ATOM 745 N GLY A 53 11.789 12.225 -0.999 1.00 0.00 N ATOM 746 CA GLY A 53 10.598 11.905 -0.231 1.00 0.00 C ATOM 747 C GLY A 53 10.859 10.741 0.728 1.00 0.00 C ATOM 748 O GLY A 53 11.997 10.302 0.881 1.00 0.00 O ATOM 0 H GLY A 53 12.470 11.469 -1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.279 12.781 0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.783 11.648 -0.908 1.00 0.00 H new ATOM 752 N LEU A 54 9.785 10.276 1.348 1.00 0.00 N ATOM 753 CA LEU A 54 9.884 9.171 2.287 1.00 0.00 C ATOM 754 C LEU A 54 9.615 7.857 1.553 1.00 0.00 C ATOM 755 O LEU A 54 10.326 6.873 1.753 1.00 0.00 O ATOM 756 CB LEU A 54 8.963 9.404 3.487 1.00 0.00 C ATOM 757 CG LEU A 54 9.103 10.758 4.187 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.740 11.283 4.643 1.00 0.00 C ATOM 759 CD2 LEU A 54 10.102 10.676 5.343 1.00 0.00 C ATOM 0 H LEU A 54 8.842 10.644 1.219 1.00 0.00 H new ATOM 0 HA LEU A 54 10.893 9.108 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.931 9.294 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.147 8.618 4.219 1.00 0.00 H new ATOM 0 HG LEU A 54 9.500 11.475 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.868 12.246 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.088 11.403 3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.292 10.574 5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.183 11.651 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.758 9.941 6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.078 10.378 4.960 1.00 0.00 H new ATOM 771 N ALA A 55 8.587 7.882 0.717 1.00 0.00 N ATOM 772 CA ALA A 55 8.216 6.704 -0.049 1.00 0.00 C ATOM 773 C ALA A 55 9.482 6.018 -0.566 1.00 0.00 C ATOM 774 O ALA A 55 9.531 4.793 -0.668 1.00 0.00 O ATOM 775 CB ALA A 55 7.268 7.108 -1.179 1.00 0.00 C ATOM 0 H ALA A 55 7.999 8.700 0.553 1.00 0.00 H new ATOM 0 HA ALA A 55 7.687 5.988 0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.990 6.225 -1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.372 7.564 -0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.766 7.824 -1.833 1.00 0.00 H new ATOM 781 N SER A 56 10.474 6.838 -0.880 1.00 0.00 N ATOM 782 CA SER A 56 11.737 6.325 -1.385 1.00 0.00 C ATOM 783 C SER A 56 12.610 5.847 -0.223 1.00 0.00 C ATOM 784 O SER A 56 13.225 4.784 -0.300 1.00 0.00 O ATOM 785 CB SER A 56 12.476 7.387 -2.201 1.00 0.00 C ATOM 786 OG SER A 56 13.875 7.389 -1.933 1.00 0.00 O ATOM 0 H SER A 56 10.429 7.853 -0.795 1.00 0.00 H new ATOM 0 HA SER A 56 11.525 5.482 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.311 7.208 -3.263 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.062 8.370 -1.976 1.00 0.00 H new ATOM 0 HG SER A 56 14.311 8.080 -2.475 1.00 0.00 H new ATOM 792 N GLN A 57 12.635 6.654 0.827 1.00 0.00 N ATOM 793 CA GLN A 57 13.422 6.326 2.004 1.00 0.00 C ATOM 794 C GLN A 57 13.290 4.838 2.333 1.00 0.00 C ATOM 795 O GLN A 57 14.292 4.142 2.491 1.00 0.00 O ATOM 796 CB GLN A 57 13.010 7.191 3.197 1.00 0.00 C ATOM 797 CG GLN A 57 13.928 8.407 3.336 1.00 0.00 C ATOM 798 CD GLN A 57 14.795 8.299 4.593 1.00 0.00 C ATOM 799 OE1 GLN A 57 16.012 8.250 4.536 1.00 0.00 O ATOM 800 NE2 GLN A 57 14.101 8.266 5.727 1.00 0.00 N ATOM 0 H GLN A 57 12.123 7.534 0.888 1.00 0.00 H new ATOM 0 HA GLN A 57 14.469 6.538 1.788 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.979 7.522 3.072 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.046 6.598 4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.566 8.488 2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.329 9.316 3.380 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.082 8.311 5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.587 8.196 6.621 1.00 0.00 H new ATOM 809 N GLU A 58 12.046 4.394 2.427 1.00 0.00 N ATOM 810 CA GLU A 58 11.770 3.001 2.735 1.00 0.00 C ATOM 811 C GLU A 58 12.375 2.090 1.664 1.00 0.00 C ATOM 812 O GLU A 58 13.217 1.246 1.965 1.00 0.00 O ATOM 813 CB GLU A 58 10.266 2.758 2.875 1.00 0.00 C ATOM 814 CG GLU A 58 9.974 1.756 3.995 1.00 0.00 C ATOM 815 CD GLU A 58 10.847 0.508 3.855 1.00 0.00 C ATOM 816 OE1 GLU A 58 12.024 0.588 4.269 1.00 0.00 O ATOM 817 OE2 GLU A 58 10.319 -0.499 3.337 1.00 0.00 O ATOM 0 H GLU A 58 11.217 4.974 2.295 1.00 0.00 H new ATOM 0 HA GLU A 58 12.234 2.762 3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.760 3.700 3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.865 2.383 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.155 2.224 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.922 1.473 3.969 1.00 0.00 H new ATOM 824 N GLY A 59 11.921 2.293 0.436 1.00 0.00 N ATOM 825 CA GLY A 59 12.407 1.502 -0.682 1.00 0.00 C ATOM 826 C GLY A 59 11.438 0.365 -1.011 1.00 0.00 C ATOM 827 O GLY A 59 11.712 -0.456 -1.885 1.00 0.00 O ATOM 0 H GLY A 59 11.222 2.994 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.534 2.141 -1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.388 1.091 -0.442 1.00 0.00 H new ATOM 831 N THR A 60 10.324 0.354 -0.293 1.00 0.00 N ATOM 832 CA THR A 60 9.312 -0.669 -0.498 1.00 0.00 C ATOM 833 C THR A 60 8.324 -0.232 -1.582 1.00 0.00 C ATOM 834 O THR A 60 7.979 -1.015 -2.465 1.00 0.00 O ATOM 835 CB THR A 60 8.648 -0.954 0.850 1.00 0.00 C ATOM 836 OG1 THR A 60 9.550 -1.845 1.500 1.00 0.00 O ATOM 837 CG2 THR A 60 7.359 -1.766 0.708 1.00 0.00 C ATOM 0 H THR A 60 10.100 1.037 0.431 1.00 0.00 H new ATOM 0 HA THR A 60 9.755 -1.597 -0.861 1.00 0.00 H new ATOM 0 HB THR A 60 8.430 -0.012 1.353 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.743 -1.515 2.402 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.928 -1.940 1.694 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.647 -1.214 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.582 -2.722 0.235 1.00 0.00 H new ATOM 845 N ILE A 61 7.896 1.018 -1.478 1.00 0.00 N ATOM 846 CA ILE A 61 6.954 1.568 -2.438 1.00 0.00 C ATOM 847 C ILE A 61 7.717 2.061 -3.669 1.00 0.00 C ATOM 848 O ILE A 61 8.229 3.180 -3.680 1.00 0.00 O ATOM 849 CB ILE A 61 6.087 2.644 -1.781 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.691 2.237 -0.360 1.00 0.00 C ATOM 851 CG2 ILE A 61 4.866 2.967 -2.645 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.762 3.277 0.270 1.00 0.00 C ATOM 0 H ILE A 61 8.184 1.665 -0.744 1.00 0.00 H new ATOM 0 HA ILE A 61 6.262 0.797 -2.778 1.00 0.00 H new ATOM 0 HB ILE A 61 6.677 3.557 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.195 1.267 -0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.586 2.125 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.267 3.734 -2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.195 3.330 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.265 2.067 -2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.496 2.963 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.270 4.241 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.858 3.369 -0.332 1.00 0.00 H new ATOM 864 N GLN A 62 7.769 1.202 -4.676 1.00 0.00 N ATOM 865 CA GLN A 62 8.461 1.536 -5.910 1.00 0.00 C ATOM 866 C GLN A 62 7.461 1.671 -7.060 1.00 0.00 C ATOM 867 O GLN A 62 6.549 0.856 -7.193 1.00 0.00 O ATOM 868 CB GLN A 62 9.534 0.495 -6.235 1.00 0.00 C ATOM 869 CG GLN A 62 10.760 0.671 -5.337 1.00 0.00 C ATOM 870 CD GLN A 62 11.790 -0.431 -5.592 1.00 0.00 C ATOM 871 OE1 GLN A 62 12.692 -0.299 -6.403 1.00 0.00 O ATOM 872 NE2 GLN A 62 11.605 -1.524 -4.856 1.00 0.00 N ATOM 0 H GLN A 62 7.343 0.275 -4.663 1.00 0.00 H new ATOM 0 HA GLN A 62 8.961 2.495 -5.776 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.125 -0.507 -6.105 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.829 0.586 -7.280 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.212 1.646 -5.520 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.454 0.653 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.829 -1.569 -4.195 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.239 -2.317 -4.953 1.00 0.00 H new ATOM 881 N LYS A 63 7.666 2.706 -7.861 1.00 0.00 N ATOM 882 CA LYS A 63 6.793 2.958 -8.995 1.00 0.00 C ATOM 883 C LYS A 63 6.629 1.669 -9.803 1.00 0.00 C ATOM 884 O LYS A 63 7.595 1.160 -10.370 1.00 0.00 O ATOM 885 CB LYS A 63 7.312 4.138 -9.819 1.00 0.00 C ATOM 886 CG LYS A 63 7.130 3.884 -11.317 1.00 0.00 C ATOM 887 CD LYS A 63 7.648 5.065 -12.140 1.00 0.00 C ATOM 888 CE LYS A 63 9.058 4.789 -12.667 1.00 0.00 C ATOM 889 NZ LYS A 63 8.998 3.998 -13.917 1.00 0.00 N ATOM 0 H LYS A 63 8.423 3.380 -7.747 1.00 0.00 H new ATOM 0 HA LYS A 63 5.800 3.250 -8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.782 5.046 -9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.367 4.303 -9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.661 2.976 -11.603 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.075 3.718 -11.536 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.974 5.254 -12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.655 5.966 -11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.575 5.731 -12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.635 4.250 -11.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.963 3.819 -14.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.523 3.091 -13.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.466 4.527 -14.637 1.00 0.00 H new ATOM 903 N GLY A 64 5.399 1.178 -9.831 1.00 0.00 N ATOM 904 CA GLY A 64 5.096 -0.041 -10.560 1.00 0.00 C ATOM 905 C GLY A 64 4.514 -1.107 -9.629 1.00 0.00 C ATOM 906 O GLY A 64 3.945 -2.096 -10.090 1.00 0.00 O ATOM 0 H GLY A 64 4.600 1.603 -9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.387 0.176 -11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.002 -0.421 -11.032 1.00 0.00 H new ATOM 910 N ASN A 65 4.677 -0.869 -8.336 1.00 0.00 N ATOM 911 CA ASN A 65 4.175 -1.796 -7.336 1.00 0.00 C ATOM 912 C ASN A 65 2.648 -1.711 -7.288 1.00 0.00 C ATOM 913 O ASN A 65 2.054 -0.818 -7.890 1.00 0.00 O ATOM 914 CB ASN A 65 4.712 -1.451 -5.946 1.00 0.00 C ATOM 915 CG ASN A 65 6.202 -1.781 -5.835 1.00 0.00 C ATOM 916 OD1 ASN A 65 7.045 -0.917 -5.664 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.477 -3.078 -5.943 1.00 0.00 N ATOM 0 H ASN A 65 5.149 -0.048 -7.958 1.00 0.00 H new ATOM 0 HA ASN A 65 4.504 -2.798 -7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.555 -0.391 -5.744 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.156 -2.005 -5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.443 -3.401 -5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.722 -3.749 -6.085 1.00 0.00 H new ATOM 924 N GLU A 66 2.057 -2.651 -6.566 1.00 0.00 N ATOM 925 CA GLU A 66 0.610 -2.693 -6.431 1.00 0.00 C ATOM 926 C GLU A 66 0.190 -2.167 -5.057 1.00 0.00 C ATOM 927 O GLU A 66 0.563 -2.733 -4.031 1.00 0.00 O ATOM 928 CB GLU A 66 0.079 -4.109 -6.663 1.00 0.00 C ATOM 929 CG GLU A 66 -1.281 -4.301 -5.988 1.00 0.00 C ATOM 930 CD GLU A 66 -1.892 -5.653 -6.361 1.00 0.00 C ATOM 931 OE1 GLU A 66 -1.097 -6.579 -6.636 1.00 0.00 O ATOM 932 OE2 GLU A 66 -3.139 -5.731 -6.364 1.00 0.00 O ATOM 0 H GLU A 66 2.553 -3.390 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 66 0.174 -2.048 -7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.012 -4.297 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.790 -4.837 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.166 -4.236 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.956 -3.498 -6.286 1.00 0.00 H new ATOM 939 N VAL A 67 -0.582 -1.090 -5.082 1.00 0.00 N ATOM 940 CA VAL A 67 -1.057 -0.482 -3.851 1.00 0.00 C ATOM 941 C VAL A 67 -2.398 -1.108 -3.463 1.00 0.00 C ATOM 942 O VAL A 67 -3.432 -0.777 -4.040 1.00 0.00 O ATOM 943 CB VAL A 67 -1.132 1.038 -4.013 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.655 1.700 -2.737 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.228 1.614 -4.412 1.00 0.00 C ATOM 0 H VAL A 67 -0.890 -0.623 -5.935 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.360 -0.675 -3.036 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.837 1.255 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.698 2.780 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.653 1.323 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.987 1.470 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.147 2.696 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.962 1.381 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.545 1.177 -5.359 1.00 0.00 H new ATOM 955 N LEU A 68 -2.337 -2.002 -2.487 1.00 0.00 N ATOM 956 CA LEU A 68 -3.533 -2.678 -2.014 1.00 0.00 C ATOM 957 C LEU A 68 -4.415 -1.678 -1.263 1.00 0.00 C ATOM 958 O LEU A 68 -5.606 -1.562 -1.545 1.00 0.00 O ATOM 959 CB LEU A 68 -3.162 -3.912 -1.190 1.00 0.00 C ATOM 960 CG LEU A 68 -2.084 -4.818 -1.788 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.317 -5.556 -0.689 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.684 -5.782 -2.813 1.00 0.00 C ATOM 0 H LEU A 68 -1.477 -2.274 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.118 -3.051 -2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.826 -3.581 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.063 -4.506 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.366 -4.191 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.557 -6.193 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.838 -4.832 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.009 -6.170 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.896 -6.414 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.435 -6.406 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.149 -5.214 -3.619 1.00 0.00 H new ATOM 974 N SER A 69 -3.795 -0.983 -0.321 1.00 0.00 N ATOM 975 CA SER A 69 -4.508 0.003 0.474 1.00 0.00 C ATOM 976 C SER A 69 -3.553 1.116 0.907 1.00 0.00 C ATOM 977 O SER A 69 -2.336 0.976 0.789 1.00 0.00 O ATOM 978 CB SER A 69 -5.160 -0.644 1.698 1.00 0.00 C ATOM 979 OG SER A 69 -4.214 -0.900 2.733 1.00 0.00 O ATOM 0 H SER A 69 -2.807 -1.083 -0.090 1.00 0.00 H new ATOM 0 HA SER A 69 -5.299 0.432 -0.141 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.946 0.009 2.078 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.637 -1.579 1.403 1.00 0.00 H new ATOM 0 HG SER A 69 -4.669 -1.311 3.497 1.00 0.00 H new ATOM 985 N ILE A 70 -4.140 2.198 1.399 1.00 0.00 N ATOM 986 CA ILE A 70 -3.356 3.335 1.850 1.00 0.00 C ATOM 987 C ILE A 70 -4.002 3.930 3.102 1.00 0.00 C ATOM 988 O ILE A 70 -5.152 4.366 3.064 1.00 0.00 O ATOM 989 CB ILE A 70 -3.172 4.344 0.714 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.055 3.904 -0.234 1.00 0.00 C ATOM 991 CG2 ILE A 70 -2.937 5.752 1.265 1.00 0.00 C ATOM 992 CD1 ILE A 70 -2.102 4.698 -1.542 1.00 0.00 C ATOM 0 H ILE A 70 -5.149 2.311 1.495 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.351 3.018 2.129 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.093 4.376 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.087 4.046 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.152 2.839 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.809 6.450 0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.794 6.055 1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.040 5.755 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.298 4.366 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.061 4.534 -2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.980 5.760 -1.328 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.236 3.928 4.183 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.719 4.462 5.445 1.00 0.00 C ATOM 1006 C ASN A 71 -4.720 3.481 6.059 1.00 0.00 C ATOM 1007 O ASN A 71 -5.390 3.804 7.039 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.434 5.799 5.239 1.00 0.00 C ATOM 1009 CG ASN A 71 -3.968 6.834 6.266 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -4.754 7.437 6.977 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -2.650 7.003 6.302 1.00 0.00 N ATOM 0 H ASN A 71 -2.283 3.565 4.211 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.860 4.609 6.100 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.240 6.168 4.232 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.511 5.656 5.324 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.239 7.671 6.954 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.050 6.464 5.678 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.790 2.302 5.457 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.697 1.272 5.933 1.00 0.00 C ATOM 1020 C GLY A 72 -6.991 1.262 5.116 1.00 0.00 C ATOM 1021 O GLY A 72 -7.904 0.488 5.402 1.00 0.00 O ATOM 0 H GLY A 72 -4.233 2.038 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.213 0.297 5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.928 1.443 6.985 1.00 0.00 H new ATOM 1025 N LYS A 73 -7.029 2.129 4.115 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.195 2.230 3.255 1.00 0.00 C ATOM 1027 C LYS A 73 -7.994 1.344 2.024 1.00 0.00 C ATOM 1028 O LYS A 73 -7.138 1.625 1.186 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.489 3.693 2.918 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.339 4.347 4.009 1.00 0.00 C ATOM 1031 CD LYS A 73 -9.782 5.750 3.591 1.00 0.00 C ATOM 1032 CE LYS A 73 -11.307 5.841 3.506 1.00 0.00 C ATOM 1033 NZ LYS A 73 -11.836 6.703 4.586 1.00 0.00 N ATOM 0 H LYS A 73 -6.270 2.769 3.880 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.081 1.862 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.552 4.239 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.009 3.752 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.215 3.730 4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.768 4.403 4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.410 6.481 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.345 6.000 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.600 6.243 2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.741 4.844 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.872 6.754 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.573 6.304 5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.435 7.658 4.495 1.00 0.00 H new ATOM 1047 N SER A 74 -8.796 0.291 1.954 1.00 0.00 N ATOM 1048 CA SER A 74 -8.716 -0.637 0.839 1.00 0.00 C ATOM 1049 C SER A 74 -9.424 -0.050 -0.383 1.00 0.00 C ATOM 1050 O SER A 74 -10.410 0.672 -0.246 1.00 0.00 O ATOM 1051 CB SER A 74 -9.326 -1.992 1.206 1.00 0.00 C ATOM 1052 OG SER A 74 -9.270 -2.240 2.608 1.00 0.00 O ATOM 0 H SER A 74 -9.504 0.060 2.651 1.00 0.00 H new ATOM 0 HA SER A 74 -7.664 -0.795 0.600 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.363 -2.025 0.873 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.796 -2.784 0.676 1.00 0.00 H new ATOM 0 HG SER A 74 -9.670 -3.113 2.802 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.894 -0.382 -1.551 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.463 0.104 -2.796 1.00 0.00 C ATOM 1060 C LEU A 75 -10.627 -0.800 -3.207 1.00 0.00 C ATOM 1061 O LEU A 75 -10.419 -1.852 -3.809 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.378 0.233 -3.867 1.00 0.00 C ATOM 1063 CG LEU A 75 -7.016 0.736 -3.385 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.922 0.422 -4.407 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -7.071 2.226 -3.044 1.00 0.00 C ATOM 0 H LEU A 75 -8.076 -0.982 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.869 1.107 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.239 -0.742 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.739 0.909 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.761 0.205 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.964 0.790 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.863 -0.656 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.158 0.908 -5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.090 2.558 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.358 2.792 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.804 2.392 -2.254 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.828 -0.357 -2.864 1.00 0.00 N ATOM 1078 CA LYS A 76 -13.026 -1.112 -3.189 1.00 0.00 C ATOM 1079 C LYS A 76 -13.519 -0.705 -4.579 1.00 0.00 C ATOM 1080 O LYS A 76 -14.645 -1.023 -4.960 1.00 0.00 O ATOM 1081 CB LYS A 76 -14.078 -0.948 -2.090 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.744 0.427 -2.171 1.00 0.00 C ATOM 1083 CD LYS A 76 -16.128 0.329 -2.817 1.00 0.00 C ATOM 1084 CE LYS A 76 -17.230 0.639 -1.802 1.00 0.00 C ATOM 1085 NZ LYS A 76 -17.515 2.091 -1.773 1.00 0.00 N ATOM 0 H LYS A 76 -11.997 0.516 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.805 -2.179 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.833 -1.728 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.611 -1.073 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.835 0.850 -1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.116 1.106 -2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.193 1.025 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.274 -0.672 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.135 0.090 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.925 0.302 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.265 2.284 -1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.654 2.609 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.827 2.402 -2.715 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.652 -0.008 -5.299 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.986 0.446 -6.638 1.00 0.00 C ATOM 1101 C GLY A 77 -12.999 1.975 -6.711 1.00 0.00 C ATOM 1102 O GLY A 77 -13.704 2.554 -7.536 1.00 0.00 O ATOM 0 H GLY A 77 -11.719 0.253 -4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.263 0.050 -7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.963 0.056 -6.925 1.00 0.00 H new ATOM 1106 N THR A 78 -12.212 2.584 -5.837 1.00 0.00 N ATOM 1107 CA THR A 78 -12.125 4.034 -5.792 1.00 0.00 C ATOM 1108 C THR A 78 -11.642 4.581 -7.137 1.00 0.00 C ATOM 1109 O THR A 78 -10.813 3.961 -7.802 1.00 0.00 O ATOM 1110 CB THR A 78 -11.219 4.417 -4.620 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.338 3.321 -3.717 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.757 5.612 -3.830 1.00 0.00 C ATOM 0 H THR A 78 -11.629 2.100 -5.154 1.00 0.00 H new ATOM 0 HA THR A 78 -13.104 4.484 -5.626 1.00 0.00 H new ATOM 0 HB THR A 78 -10.221 4.649 -4.993 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.781 3.485 -2.928 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.077 5.842 -3.010 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.837 6.477 -4.488 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.741 5.369 -3.428 1.00 0.00 H new ATOM 1120 N THR A 79 -12.182 5.736 -7.498 1.00 0.00 N ATOM 1121 CA THR A 79 -11.817 6.373 -8.752 1.00 0.00 C ATOM 1122 C THR A 79 -10.418 6.985 -8.651 1.00 0.00 C ATOM 1123 O THR A 79 -9.976 7.356 -7.565 1.00 0.00 O ATOM 1124 CB THR A 79 -12.903 7.393 -9.097 1.00 0.00 C ATOM 1125 OG1 THR A 79 -13.252 7.968 -7.841 1.00 0.00 O ATOM 1126 CG2 THR A 79 -14.197 6.732 -9.576 1.00 0.00 C ATOM 0 H THR A 79 -12.869 6.247 -6.944 1.00 0.00 H new ATOM 0 HA THR A 79 -11.763 5.648 -9.564 1.00 0.00 H new ATOM 0 HB THR A 79 -12.533 8.069 -9.868 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.192 8.246 -7.858 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.934 7.501 -9.807 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.995 6.142 -10.470 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.585 6.081 -8.792 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.762 7.072 -9.799 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.422 7.633 -9.853 1.00 0.00 C ATOM 1136 C HIS A 80 -8.335 8.845 -8.924 1.00 0.00 C ATOM 1137 O HIS A 80 -7.390 8.968 -8.146 1.00 0.00 O ATOM 1138 CB HIS A 80 -8.030 7.962 -11.295 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.627 8.500 -11.442 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.509 7.684 -11.464 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -6.172 9.779 -11.575 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.436 8.448 -11.603 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.848 9.746 -11.672 1.00 0.00 N ATOM 0 H HIS A 80 -10.133 6.764 -10.698 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.700 6.896 -9.500 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.129 7.062 -11.902 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.732 8.694 -11.694 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.511 6.667 -11.386 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.785 10.668 -11.598 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.414 8.103 -11.653 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.333 9.709 -9.035 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.381 10.907 -8.214 1.00 0.00 C ATOM 1153 C HIS A 81 -9.633 10.520 -6.755 1.00 0.00 C ATOM 1154 O HIS A 81 -8.802 10.782 -5.887 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.418 11.894 -8.753 1.00 0.00 C ATOM 1156 CG HIS A 81 -10.482 13.195 -7.990 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -11.257 14.267 -8.398 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -9.860 13.586 -6.840 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -11.101 15.253 -7.527 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -10.234 14.829 -6.563 1.00 0.00 N ATOM 0 H HIS A 81 -10.115 9.603 -9.681 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.420 11.420 -8.257 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.192 12.108 -9.798 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.400 11.422 -8.729 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.179 12.986 -6.255 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.576 16.222 -7.572 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.924 15.377 -5.761 1.00 0.00 H new ATOM 1168 N ASP A 82 -10.783 9.901 -6.531 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.155 9.475 -5.192 1.00 0.00 C ATOM 1170 C ASP A 82 -9.942 8.841 -4.508 1.00 0.00 C ATOM 1171 O ASP A 82 -9.829 8.871 -3.284 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.272 8.431 -5.237 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.673 8.994 -5.485 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -13.759 10.218 -5.724 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.626 8.187 -5.430 1.00 0.00 O ATOM 0 H ASP A 82 -11.469 9.684 -7.254 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.502 10.351 -4.643 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.043 7.709 -6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.278 7.886 -4.293 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.066 8.280 -5.329 1.00 0.00 N ATOM 1181 CA ALA A 83 -7.866 7.640 -4.819 1.00 0.00 C ATOM 1182 C ALA A 83 -6.813 8.707 -4.514 1.00 0.00 C ATOM 1183 O ALA A 83 -6.261 8.744 -3.415 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.370 6.604 -5.830 1.00 0.00 C ATOM 0 H ALA A 83 -9.164 8.256 -6.344 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.079 7.112 -3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.469 6.124 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.143 5.852 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.144 7.097 -6.775 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.567 9.550 -5.506 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.590 10.616 -5.358 1.00 0.00 C ATOM 1192 C LEU A 84 -5.847 11.358 -4.044 1.00 0.00 C ATOM 1193 O LEU A 84 -4.923 11.583 -3.264 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.597 11.524 -6.589 1.00 0.00 C ATOM 1195 CG LEU A 84 -5.189 10.868 -7.909 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -6.036 11.396 -9.069 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -3.691 11.041 -8.168 1.00 0.00 C ATOM 0 H LEU A 84 -7.027 9.517 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.582 10.204 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.599 11.936 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.927 12.363 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.381 9.798 -7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.725 10.913 -9.996 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.087 11.178 -8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.900 12.474 -9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.428 10.565 -9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.451 12.103 -8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.126 10.578 -7.359 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.106 11.717 -3.841 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.495 12.429 -2.636 1.00 0.00 C ATOM 1211 C ALA A 85 -7.165 11.571 -1.413 1.00 0.00 C ATOM 1212 O ALA A 85 -6.448 12.012 -0.516 1.00 0.00 O ATOM 1213 CB ALA A 85 -8.981 12.788 -2.713 1.00 0.00 C ATOM 0 H ALA A 85 -7.869 11.528 -4.490 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.938 13.362 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.274 13.322 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.158 13.422 -3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.571 11.876 -2.803 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.705 10.361 -1.416 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.477 9.437 -0.318 1.00 0.00 C ATOM 1221 C ILE A 86 -5.984 9.406 0.015 1.00 0.00 C ATOM 1222 O ILE A 86 -5.606 9.295 1.180 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.064 8.062 -0.643 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.431 7.879 0.018 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.089 6.946 -0.263 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.500 7.532 -1.020 1.00 0.00 C ATOM 0 H ILE A 86 -8.300 9.999 -2.161 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.997 9.775 0.578 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.217 8.002 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.374 7.088 0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.711 8.793 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.531 5.979 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.160 7.070 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.881 6.993 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.462 7.407 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.571 8.336 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.229 6.605 -1.525 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.175 9.505 -1.030 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.732 9.489 -0.864 1.00 0.00 C ATOM 1240 C LEU A 87 -3.283 10.803 -0.222 1.00 0.00 C ATOM 1241 O LEU A 87 -2.359 10.817 0.590 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.042 9.187 -2.196 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.628 9.747 -2.361 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.663 11.251 -2.638 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -0.759 9.407 -1.148 1.00 0.00 C ATOM 0 H LEU A 87 -5.492 9.597 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.435 8.686 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.000 8.105 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.663 9.579 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.171 9.271 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.645 11.624 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.222 11.439 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.147 11.763 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.241 9.817 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.203 9.837 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.695 8.324 -1.038 1.00 0.00 H new ATOM 1257 N ARG A 88 -3.957 11.875 -0.611 1.00 0.00 N ATOM 1258 CA ARG A 88 -3.638 13.191 -0.085 1.00 0.00 C ATOM 1259 C ARG A 88 -4.160 13.331 1.347 1.00 0.00 C ATOM 1260 O ARG A 88 -3.842 14.299 2.036 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.248 14.294 -0.952 1.00 0.00 C ATOM 1262 CG ARG A 88 -3.692 14.241 -2.377 1.00 0.00 C ATOM 1263 CD ARG A 88 -4.736 14.714 -3.391 1.00 0.00 C ATOM 1264 NE ARG A 88 -4.253 15.926 -4.087 1.00 0.00 N ATOM 1265 CZ ARG A 88 -4.255 17.153 -3.549 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -4.715 17.338 -2.304 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -3.797 18.196 -4.255 1.00 0.00 N ATOM 0 H ARG A 88 -4.723 11.859 -1.284 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.553 13.297 -0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.332 14.185 -0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.036 15.268 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.802 14.866 -2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.385 13.222 -2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.935 13.924 -4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.677 14.927 -2.884 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.896 15.821 -5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.064 16.545 -1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.716 18.272 -1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.447 18.056 -5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.799 19.130 -3.845 1.00 0.00 H new ATOM 1281 N GLN A 89 -4.953 12.350 1.752 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.522 12.351 3.089 1.00 0.00 C ATOM 1283 C GLN A 89 -4.682 11.479 4.024 1.00 0.00 C ATOM 1284 O GLN A 89 -4.611 11.740 5.224 1.00 0.00 O ATOM 1285 CB GLN A 89 -6.979 11.883 3.065 1.00 0.00 C ATOM 1286 CG GLN A 89 -7.874 12.912 2.370 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.159 13.146 3.166 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.165 13.200 4.384 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.245 13.283 2.410 1.00 0.00 N ATOM 0 H GLN A 89 -5.215 11.549 1.178 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.509 13.373 3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.049 10.926 2.547 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.329 11.720 4.084 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.334 13.853 2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.121 12.566 1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.170 13.227 1.394 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.153 13.444 2.846 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.066 10.462 3.439 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.234 9.551 4.206 1.00 0.00 C ATOM 1300 C ALA A 90 -1.944 10.265 4.614 1.00 0.00 C ATOM 1301 O ALA A 90 -1.157 9.735 5.396 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.966 8.289 3.382 1.00 0.00 C ATOM 0 H ALA A 90 -4.127 10.249 2.443 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.743 9.243 5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.342 7.605 3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.912 7.803 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.453 8.559 2.459 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.768 11.459 4.065 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.587 12.252 4.363 1.00 0.00 C ATOM 1310 C ARG A 91 -0.898 13.276 5.456 1.00 0.00 C ATOM 1311 O ARG A 91 0.011 13.891 6.012 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.086 12.983 3.116 1.00 0.00 C ATOM 1313 CG ARG A 91 -0.812 14.318 2.934 1.00 0.00 C ATOM 1314 CD ARG A 91 -0.864 14.717 1.458 1.00 0.00 C ATOM 1315 NE ARG A 91 -0.314 16.080 1.282 1.00 0.00 N ATOM 1316 CZ ARG A 91 -1.002 17.204 1.523 1.00 0.00 C ATOM 1317 NH1 ARG A 91 -2.270 17.135 1.950 1.00 0.00 N ATOM 1318 NH2 ARG A 91 -0.422 18.397 1.336 1.00 0.00 N ATOM 0 H ARG A 91 -2.423 11.896 3.416 1.00 0.00 H new ATOM 0 HA ARG A 91 0.191 11.572 4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.987 13.157 3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.241 12.358 2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.825 14.242 3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.303 15.094 3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.294 14.006 0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.893 14.682 1.099 1.00 0.00 H new ATOM 0 HE ARG A 91 0.649 16.169 0.957 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.712 16.227 2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.794 17.991 2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.543 18.449 1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.946 19.253 1.519 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.185 13.429 5.732 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.626 14.368 6.748 1.00 0.00 C ATOM 1334 C GLU A 92 -2.011 14.012 8.103 1.00 0.00 C ATOM 1335 O GLU A 92 -1.555 14.891 8.833 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.153 14.407 6.833 1.00 0.00 C ATOM 1337 CG GLU A 92 -4.773 14.638 5.453 1.00 0.00 C ATOM 1338 CD GLU A 92 -5.209 16.094 5.284 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -4.362 16.891 4.825 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -6.379 16.379 5.618 1.00 0.00 O ATOM 0 H GLU A 92 -2.936 12.918 5.269 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.285 15.364 6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.522 13.469 7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.463 15.201 7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.051 14.379 4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.632 13.980 5.322 1.00 0.00 H new ATOM 1347 N PRO A 93 -2.019 12.686 8.407 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.467 12.203 9.662 1.00 0.00 C ATOM 1349 C PRO A 93 0.062 12.222 9.632 1.00 0.00 C ATOM 1350 O PRO A 93 0.663 12.584 8.621 1.00 0.00 O ATOM 1351 CB PRO A 93 -2.040 10.805 9.830 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.514 10.379 8.450 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.550 11.616 7.568 1.00 0.00 C ATOM 0 HA PRO A 93 -1.734 12.834 10.510 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.286 10.118 10.213 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.864 10.804 10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.843 9.630 8.030 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.502 9.924 8.510 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.946 11.480 6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.565 11.838 7.239 1.00 0.00 H new ATOM 1361 N ARG A 94 0.649 11.829 10.753 1.00 0.00 N ATOM 1362 CA ARG A 94 2.097 11.797 10.868 1.00 0.00 C ATOM 1363 C ARG A 94 2.629 10.413 10.490 1.00 0.00 C ATOM 1364 O ARG A 94 3.824 10.149 10.613 1.00 0.00 O ATOM 1365 CB ARG A 94 2.544 12.137 12.291 1.00 0.00 C ATOM 1366 CG ARG A 94 1.792 13.357 12.826 1.00 0.00 C ATOM 1367 CD ARG A 94 2.766 14.443 13.287 1.00 0.00 C ATOM 1368 NE ARG A 94 2.237 15.119 14.492 1.00 0.00 N ATOM 1369 CZ ARG A 94 2.990 15.814 15.355 1.00 0.00 C ATOM 1370 NH1 ARG A 94 4.310 15.928 15.152 1.00 0.00 N ATOM 1371 NH2 ARG A 94 2.424 16.395 16.422 1.00 0.00 N ATOM 0 H ARG A 94 0.148 11.530 11.590 1.00 0.00 H new ATOM 0 HA ARG A 94 2.501 12.544 10.185 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.369 11.282 12.945 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.616 12.333 12.302 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.139 13.755 12.050 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.154 13.059 13.658 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.739 14.002 13.505 1.00 0.00 H new ATOM 0 HD3 ARG A 94 2.917 15.170 12.489 1.00 0.00 H new ATOM 0 HE ARG A 94 1.236 15.052 14.677 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.741 15.486 14.340 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.883 16.457 15.809 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.420 16.308 16.577 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.998 16.924 17.079 1.00 0.00 H new ATOM 1385 N GLN A 95 1.716 9.566 10.038 1.00 0.00 N ATOM 1386 CA GLN A 95 2.079 8.216 9.642 1.00 0.00 C ATOM 1387 C GLN A 95 1.214 7.758 8.466 1.00 0.00 C ATOM 1388 O GLN A 95 0.096 8.240 8.288 1.00 0.00 O ATOM 1389 CB GLN A 95 1.959 7.248 10.820 1.00 0.00 C ATOM 1390 CG GLN A 95 2.783 5.982 10.576 1.00 0.00 C ATOM 1391 CD GLN A 95 2.611 4.986 11.724 1.00 0.00 C ATOM 1392 OE1 GLN A 95 3.453 4.854 12.597 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.476 4.293 11.674 1.00 0.00 N ATOM 0 H GLN A 95 0.726 9.788 9.937 1.00 0.00 H new ATOM 0 HA GLN A 95 3.121 8.220 9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.299 7.737 11.733 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.913 6.982 10.971 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.475 5.519 9.639 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.836 6.244 10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.814 4.453 10.915 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.268 3.602 12.395 1.00 0.00 H new ATOM 1402 N ALA A 96 1.764 6.833 7.693 1.00 0.00 N ATOM 1403 CA ALA A 96 1.056 6.304 6.539 1.00 0.00 C ATOM 1404 C ALA A 96 1.238 4.786 6.486 1.00 0.00 C ATOM 1405 O ALA A 96 2.325 4.278 6.758 1.00 0.00 O ATOM 1406 CB ALA A 96 1.559 6.997 5.271 1.00 0.00 C ATOM 0 H ALA A 96 2.692 6.436 7.843 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.012 6.505 6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.029 6.601 4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.380 8.069 5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.628 6.815 5.156 1.00 0.00 H new ATOM 1412 N VAL A 97 0.158 4.105 6.134 1.00 0.00 N ATOM 1413 CA VAL A 97 0.185 2.655 6.042 1.00 0.00 C ATOM 1414 C VAL A 97 -0.120 2.234 4.603 1.00 0.00 C ATOM 1415 O VAL A 97 -1.227 2.448 4.111 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.782 2.048 7.060 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -1.346 0.718 6.555 1.00 0.00 C ATOM 1418 CG2 VAL A 97 -0.107 1.875 8.422 1.00 0.00 C ATOM 0 H VAL A 97 -0.741 4.530 5.909 1.00 0.00 H new ATOM 0 HA VAL A 97 1.176 2.275 6.289 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.615 2.740 7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.030 0.308 7.297 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.881 0.881 5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.529 0.016 6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.816 1.442 9.127 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.753 1.214 8.320 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.223 2.846 8.790 1.00 0.00 H new ATOM 1428 N ILE A 98 0.882 1.643 3.968 1.00 0.00 N ATOM 1429 CA ILE A 98 0.734 1.190 2.595 1.00 0.00 C ATOM 1430 C ILE A 98 1.083 -0.298 2.513 1.00 0.00 C ATOM 1431 O ILE A 98 2.215 -0.690 2.793 1.00 0.00 O ATOM 1432 CB ILE A 98 1.557 2.067 1.650 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.220 3.547 1.843 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.381 1.624 0.197 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.208 4.215 2.802 1.00 0.00 C ATOM 0 H ILE A 98 1.799 1.467 4.379 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.301 1.294 2.269 1.00 0.00 H new ATOM 0 HB ILE A 98 2.611 1.941 1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.242 4.057 0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.207 3.645 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.977 2.264 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.710 0.591 0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.330 1.701 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.945 5.266 2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.166 3.718 3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.217 4.137 2.397 1.00 0.00 H new ATOM 1447 N VAL A 99 0.090 -1.085 2.129 1.00 0.00 N ATOM 1448 CA VAL A 99 0.277 -2.521 2.007 1.00 0.00 C ATOM 1449 C VAL A 99 0.554 -2.872 0.543 1.00 0.00 C ATOM 1450 O VAL A 99 -0.315 -2.711 -0.312 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.935 -3.258 2.579 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.681 -4.766 2.642 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.311 -2.708 3.957 1.00 0.00 C ATOM 0 H VAL A 99 -0.847 -0.756 1.898 1.00 0.00 H new ATOM 0 HA VAL A 99 1.140 -2.844 2.588 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.777 -3.088 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.558 -5.266 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.484 -5.144 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.181 -4.964 3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.176 -3.249 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.471 -2.834 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.554 -1.649 3.872 1.00 0.00 H new ATOM 1463 N THR A 100 1.767 -3.345 0.301 1.00 0.00 N ATOM 1464 CA THR A 100 2.169 -3.721 -1.044 1.00 0.00 C ATOM 1465 C THR A 100 2.907 -5.061 -1.026 1.00 0.00 C ATOM 1466 O THR A 100 3.542 -5.410 -0.032 1.00 0.00 O ATOM 1467 CB THR A 100 3.001 -2.576 -1.626 1.00 0.00 C ATOM 1468 OG1 THR A 100 3.981 -2.315 -0.624 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.212 -1.269 -1.724 1.00 0.00 C ATOM 0 H THR A 100 2.485 -3.477 1.013 1.00 0.00 H new ATOM 0 HA THR A 100 1.303 -3.872 -1.688 1.00 0.00 H new ATOM 0 HB THR A 100 3.362 -2.857 -2.615 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.565 -1.586 -0.920 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.849 -0.490 -2.143 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.345 -1.415 -2.369 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.879 -0.970 -0.730 1.00 0.00 H new ATOM 1477 N ARG A 101 2.799 -5.774 -2.137 1.00 0.00 N ATOM 1478 CA ARG A 101 3.448 -7.068 -2.262 1.00 0.00 C ATOM 1479 C ARG A 101 4.781 -6.925 -2.999 1.00 0.00 C ATOM 1480 O ARG A 101 4.990 -5.956 -3.727 1.00 0.00 O ATOM 1481 CB ARG A 101 2.560 -8.060 -3.016 1.00 0.00 C ATOM 1482 CG ARG A 101 1.338 -8.447 -2.181 1.00 0.00 C ATOM 1483 CD ARG A 101 0.042 -8.059 -2.895 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.635 -9.272 -3.408 1.00 0.00 N ATOM 1485 CZ ARG A 101 -1.475 -10.025 -2.686 1.00 0.00 C ATOM 1486 NH1 ARG A 101 -1.747 -9.697 -1.416 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -2.043 -11.108 -3.234 1.00 0.00 N ATOM 0 H ARG A 101 2.272 -5.480 -2.959 1.00 0.00 H new ATOM 0 HA ARG A 101 3.624 -7.448 -1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.236 -7.619 -3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 101 3.134 -8.953 -3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.347 -9.521 -1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.385 -7.953 -1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.617 -7.528 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.260 -7.378 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.450 -9.552 -4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.314 -8.873 -0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.387 -10.271 -0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.836 -11.359 -4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.683 -11.682 -2.684 1.00 0.00 H new