USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 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 Set 1.1: A 19 THR OG1 : rot -80:sc= -5.97! USER MOD Set 1.2: A 60 THR OG1 : rot 171:sc= 0.376 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -1.72 F(o=-2.3!,f=-1.7) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.156 F(o=-0.75,f=-0.16) USER MOD Single : A 23 LYS NZ :NH3+ 153:sc= -0.599 (180deg=-2.82!) USER MOD Single : A 32 SER OG : rot -151:sc= -1.61 USER MOD Single : A 41 ASN : amide:sc= -7.02! C(o=-7!,f=-16!) USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.365 (180deg=-1.23) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-2.7!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00843 X(o=-0.0084,f=0) 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= -2.11! C(o=-2.1!,f=-13!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -12.7! C(o=-13!,f=-14!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.00578 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 79 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 80 HIS : no HE2:sc= -5.97! C(o=-6!,f=-6.7!) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.134 F(o=-0.7,f=-0.13) USER MOD Single : A 89 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.2!) USER MOD Single : A 95 GLN : amide:sc= -5.17! C(o=-5.2!,f=-7.3!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 4.508 -6.922 2.804 1.00 0.00 N ATOM 206 CA HIS A 17 5.417 -6.162 3.646 1.00 0.00 C ATOM 207 C HIS A 17 4.892 -4.735 3.812 1.00 0.00 C ATOM 208 O HIS A 17 4.959 -3.933 2.881 1.00 0.00 O ATOM 209 CB HIS A 17 6.841 -6.209 3.089 1.00 0.00 C ATOM 210 CG HIS A 17 6.953 -5.760 1.652 1.00 0.00 C ATOM 211 ND1 HIS A 17 7.520 -4.645 1.108 1.00 0.00 N flip ATOM 212 CD2 HIS A 17 6.444 -6.495 0.595 1.00 0.00 C flip ATOM 213 CE1 HIS A 17 7.367 -4.696 -0.209 1.00 0.00 C flip ATOM 214 NE2 HIS A 17 6.700 -5.842 -0.529 1.00 0.00 N flip ATOM 0 HA HIS A 17 5.462 -6.613 4.638 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.483 -5.580 3.706 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.219 -7.228 3.171 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.926 -7.440 0.673 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.713 -3.953 -0.912 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.443 -6.143 -1.469 1.00 0.00 H new ATOM 222 N VAL A 18 4.380 -4.461 5.003 1.00 0.00 N ATOM 223 CA VAL A 18 3.844 -3.144 5.302 1.00 0.00 C ATOM 224 C VAL A 18 4.998 -2.153 5.468 1.00 0.00 C ATOM 225 O VAL A 18 6.105 -2.541 5.840 1.00 0.00 O ATOM 226 CB VAL A 18 2.936 -3.216 6.531 1.00 0.00 C ATOM 227 CG1 VAL A 18 1.874 -4.305 6.366 1.00 0.00 C ATOM 228 CG2 VAL A 18 3.754 -3.437 7.805 1.00 0.00 C ATOM 0 H VAL A 18 4.325 -5.129 5.772 1.00 0.00 H new ATOM 0 HA VAL A 18 3.226 -2.787 4.478 1.00 0.00 H new ATOM 0 HB VAL A 18 2.423 -2.259 6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.242 -4.335 7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.261 -4.086 5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.361 -5.271 6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.084 -3.484 8.664 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.307 -4.373 7.724 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.454 -2.612 7.936 1.00 0.00 H new ATOM 238 N THR A 19 4.700 -0.894 5.185 1.00 0.00 N ATOM 239 CA THR A 19 5.699 0.155 5.299 1.00 0.00 C ATOM 240 C THR A 19 5.167 1.309 6.151 1.00 0.00 C ATOM 241 O THR A 19 4.158 1.923 5.810 1.00 0.00 O ATOM 242 CB THR A 19 6.101 0.580 3.885 1.00 0.00 C ATOM 243 OG1 THR A 19 7.370 -0.037 3.685 1.00 0.00 O ATOM 244 CG2 THR A 19 6.396 2.078 3.785 1.00 0.00 C ATOM 0 H THR A 19 3.781 -0.576 4.877 1.00 0.00 H new ATOM 0 HA THR A 19 6.591 -0.203 5.813 1.00 0.00 H new ATOM 0 HB THR A 19 5.305 0.320 3.188 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.066 0.496 4.123 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.676 2.326 2.761 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.507 2.643 4.065 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.215 2.333 4.457 1.00 0.00 H new ATOM 252 N ILE A 20 5.869 1.567 7.245 1.00 0.00 N ATOM 253 CA ILE A 20 5.480 2.636 8.149 1.00 0.00 C ATOM 254 C ILE A 20 6.284 3.895 7.819 1.00 0.00 C ATOM 255 O ILE A 20 7.480 3.963 8.098 1.00 0.00 O ATOM 256 CB ILE A 20 5.617 2.183 9.604 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.706 0.988 9.894 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.361 3.345 10.566 1.00 0.00 C ATOM 259 CD1 ILE A 20 3.242 1.423 9.980 1.00 0.00 C ATOM 0 H ILE A 20 6.705 1.054 7.526 1.00 0.00 H new ATOM 0 HA ILE A 20 4.427 2.885 8.014 1.00 0.00 H new ATOM 0 HB ILE A 20 6.643 1.852 9.764 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.821 0.240 9.110 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.005 0.517 10.831 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.465 2.996 11.594 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.084 4.139 10.378 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.352 3.729 10.413 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.616 0.555 10.187 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.126 2.153 10.781 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.939 1.871 9.034 1.00 0.00 H new ATOM 271 N LEU A 21 5.595 4.861 7.229 1.00 0.00 N ATOM 272 CA LEU A 21 6.229 6.114 6.859 1.00 0.00 C ATOM 273 C LEU A 21 6.118 7.101 8.022 1.00 0.00 C ATOM 274 O LEU A 21 5.025 7.343 8.533 1.00 0.00 O ATOM 275 CB LEU A 21 5.647 6.642 5.546 1.00 0.00 C ATOM 276 CG LEU A 21 6.604 6.679 4.354 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.367 5.359 4.222 1.00 0.00 C ATOM 278 CD2 LEU A 21 5.863 7.043 3.066 1.00 0.00 C ATOM 0 H LEU A 21 4.603 4.801 6.998 1.00 0.00 H new ATOM 0 HA LEU A 21 7.292 5.962 6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.789 6.025 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.273 7.651 5.718 1.00 0.00 H new ATOM 0 HG LEU A 21 7.342 7.461 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.041 5.412 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.945 5.181 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.659 4.543 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.567 7.062 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.089 6.301 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.404 8.026 3.176 1.00 0.00 H new ATOM 290 N HIS A 22 7.263 7.645 8.407 1.00 0.00 N ATOM 291 CA HIS A 22 7.308 8.600 9.501 1.00 0.00 C ATOM 292 C HIS A 22 7.423 10.019 8.939 1.00 0.00 C ATOM 293 O HIS A 22 8.473 10.404 8.427 1.00 0.00 O ATOM 294 CB HIS A 22 8.434 8.256 10.478 1.00 0.00 C ATOM 295 CG HIS A 22 8.490 6.796 10.860 1.00 0.00 C ATOM 296 ND1 HIS A 22 9.256 5.777 10.376 1.00 0.00 N flip ATOM 297 CD2 HIS A 22 7.691 6.249 11.848 1.00 0.00 C flip ATOM 298 CE1 HIS A 22 8.944 4.668 11.034 1.00 0.00 C flip ATOM 299 NE2 HIS A 22 7.973 4.958 11.947 1.00 0.00 N flip ATOM 0 H HIS A 22 8.167 7.442 7.981 1.00 0.00 H new ATOM 0 HA HIS A 22 6.382 8.547 10.073 1.00 0.00 H new ATOM 0 HB2 HIS A 22 9.387 8.542 10.033 1.00 0.00 H new ATOM 0 HB3 HIS A 22 8.312 8.853 11.382 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.961 6.783 12.438 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.386 3.696 10.873 1.00 0.00 H new ATOM 0 HE2 HIS A 22 7.540 4.297 12.592 1.00 0.00 H new ATOM 307 N LYS A 23 6.330 10.758 9.054 1.00 0.00 N ATOM 308 CA LYS A 23 6.295 12.125 8.564 1.00 0.00 C ATOM 309 C LYS A 23 5.483 12.989 9.531 1.00 0.00 C ATOM 310 O LYS A 23 5.065 12.518 10.589 1.00 0.00 O ATOM 311 CB LYS A 23 5.782 12.165 7.124 1.00 0.00 C ATOM 312 CG LYS A 23 4.255 12.074 7.083 1.00 0.00 C ATOM 313 CD LYS A 23 3.797 10.930 6.176 1.00 0.00 C ATOM 314 CE LYS A 23 2.306 10.644 6.364 1.00 0.00 C ATOM 315 NZ LYS A 23 1.515 11.882 6.188 1.00 0.00 N ATOM 0 H LYS A 23 5.461 10.436 9.480 1.00 0.00 H new ATOM 0 HA LYS A 23 7.301 12.543 8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.108 13.088 6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.214 11.340 6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.869 11.920 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.841 13.016 6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.993 11.186 5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.374 10.032 6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.980 9.892 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.131 10.232 7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.557 11.639 5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.457 12.389 7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.975 12.490 5.480 1.00 0.00 H new ATOM 329 N GLU A 24 5.283 14.237 9.135 1.00 0.00 N ATOM 330 CA GLU A 24 4.527 15.170 9.953 1.00 0.00 C ATOM 331 C GLU A 24 3.149 15.420 9.339 1.00 0.00 C ATOM 332 O GLU A 24 2.871 14.974 8.226 1.00 0.00 O ATOM 333 CB GLU A 24 5.292 16.483 10.135 1.00 0.00 C ATOM 334 CG GLU A 24 6.445 16.312 11.126 1.00 0.00 C ATOM 335 CD GLU A 24 6.785 17.640 11.806 1.00 0.00 C ATOM 336 OE1 GLU A 24 6.865 18.649 11.072 1.00 0.00 O ATOM 337 OE2 GLU A 24 6.957 17.617 13.043 1.00 0.00 O ATOM 0 H GLU A 24 5.631 14.624 8.258 1.00 0.00 H new ATOM 0 HA GLU A 24 4.388 14.728 10.939 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.681 16.818 9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.613 17.257 10.492 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.175 15.572 11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.323 15.931 10.605 1.00 0.00 H new ATOM 344 N GLU A 25 2.321 16.131 10.090 1.00 0.00 N ATOM 345 CA GLU A 25 0.978 16.445 9.633 1.00 0.00 C ATOM 346 C GLU A 25 1.034 17.364 8.411 1.00 0.00 C ATOM 347 O GLU A 25 1.280 18.562 8.542 1.00 0.00 O ATOM 348 CB GLU A 25 0.150 17.075 10.755 1.00 0.00 C ATOM 349 CG GLU A 25 -0.710 16.023 11.459 1.00 0.00 C ATOM 350 CD GLU A 25 -1.060 16.464 12.881 1.00 0.00 C ATOM 351 OE1 GLU A 25 -2.072 17.185 13.019 1.00 0.00 O ATOM 352 OE2 GLU A 25 -0.308 16.071 13.799 1.00 0.00 O ATOM 0 H GLU A 25 2.554 16.499 11.012 1.00 0.00 H new ATOM 0 HA GLU A 25 0.488 15.516 9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.813 17.551 11.478 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.489 17.857 10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.625 15.856 10.891 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.176 15.073 11.490 1.00 0.00 H new ATOM 359 N GLY A 26 0.803 16.768 7.251 1.00 0.00 N ATOM 360 CA GLY A 26 0.825 17.518 6.006 1.00 0.00 C ATOM 361 C GLY A 26 2.241 17.585 5.431 1.00 0.00 C ATOM 362 O GLY A 26 2.590 18.543 4.743 1.00 0.00 O ATOM 0 H GLY A 26 0.600 15.774 7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.157 17.049 5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.451 18.527 6.179 1.00 0.00 H new ATOM 366 N ALA A 27 3.018 16.557 5.735 1.00 0.00 N ATOM 367 CA ALA A 27 4.389 16.487 5.257 1.00 0.00 C ATOM 368 C ALA A 27 4.420 15.749 3.918 1.00 0.00 C ATOM 369 O ALA A 27 5.243 16.054 3.056 1.00 0.00 O ATOM 370 CB ALA A 27 5.265 15.814 6.315 1.00 0.00 C ATOM 0 H ALA A 27 2.725 15.765 6.307 1.00 0.00 H new ATOM 0 HA ALA A 27 4.790 17.487 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.293 15.762 5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.232 16.394 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.896 14.806 6.506 1.00 0.00 H new ATOM 376 N GLY A 28 3.514 14.792 3.784 1.00 0.00 N ATOM 377 CA GLY A 28 3.427 14.008 2.564 1.00 0.00 C ATOM 378 C GLY A 28 4.181 12.684 2.708 1.00 0.00 C ATOM 379 O GLY A 28 4.985 12.521 3.625 1.00 0.00 O ATOM 0 H GLY A 28 2.833 14.542 4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.381 13.811 2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.840 14.577 1.731 1.00 0.00 H new ATOM 383 N LEU A 29 3.896 11.774 1.789 1.00 0.00 N ATOM 384 CA LEU A 29 4.537 10.470 1.802 1.00 0.00 C ATOM 385 C LEU A 29 5.803 10.521 0.944 1.00 0.00 C ATOM 386 O LEU A 29 6.857 10.040 1.358 1.00 0.00 O ATOM 387 CB LEU A 29 3.548 9.383 1.377 1.00 0.00 C ATOM 388 CG LEU A 29 2.078 9.645 1.710 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.182 8.543 1.141 1.00 0.00 C ATOM 390 CD2 LEU A 29 1.881 9.823 3.217 1.00 0.00 C ATOM 0 H LEU A 29 3.229 11.914 1.030 1.00 0.00 H new ATOM 0 HA LEU A 29 4.848 10.207 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.636 9.241 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.845 8.446 1.848 1.00 0.00 H new ATOM 0 HG LEU A 29 1.781 10.579 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.142 8.754 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.294 8.507 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.471 7.583 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.828 10.008 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.201 8.919 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.474 10.669 3.564 1.00 0.00 H new ATOM 402 N GLY A 30 5.657 11.107 -0.235 1.00 0.00 N ATOM 403 CA GLY A 30 6.776 11.227 -1.154 1.00 0.00 C ATOM 404 C GLY A 30 6.456 10.563 -2.495 1.00 0.00 C ATOM 405 O GLY A 30 7.234 10.663 -3.443 1.00 0.00 O ATOM 0 H GLY A 30 4.781 11.504 -0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.011 12.280 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.661 10.765 -0.717 1.00 0.00 H new ATOM 409 N PHE A 31 5.310 9.899 -2.532 1.00 0.00 N ATOM 410 CA PHE A 31 4.879 9.218 -3.741 1.00 0.00 C ATOM 411 C PHE A 31 3.411 9.524 -4.048 1.00 0.00 C ATOM 412 O PHE A 31 2.704 10.090 -3.216 1.00 0.00 O ATOM 413 CB PHE A 31 5.033 7.717 -3.489 1.00 0.00 C ATOM 414 CG PHE A 31 3.945 7.122 -2.592 1.00 0.00 C ATOM 415 CD1 PHE A 31 3.984 7.328 -1.249 1.00 0.00 C ATOM 416 CD2 PHE A 31 2.940 6.387 -3.139 1.00 0.00 C ATOM 417 CE1 PHE A 31 2.975 6.775 -0.416 1.00 0.00 C ATOM 418 CE2 PHE A 31 1.931 5.834 -2.307 1.00 0.00 C ATOM 419 CZ PHE A 31 1.970 6.040 -0.963 1.00 0.00 C ATOM 0 H PHE A 31 4.667 9.818 -1.744 1.00 0.00 H new ATOM 0 HA PHE A 31 5.477 9.551 -4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.026 7.196 -4.446 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.006 7.533 -3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.782 7.912 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.909 6.224 -4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.006 6.938 0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.133 5.250 -2.741 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.202 5.620 -0.330 1.00 0.00 H new ATOM 429 N SER A 32 2.997 9.135 -5.245 1.00 0.00 N ATOM 430 CA SER A 32 1.626 9.360 -5.672 1.00 0.00 C ATOM 431 C SER A 32 0.965 8.029 -6.034 1.00 0.00 C ATOM 432 O SER A 32 1.606 6.980 -5.985 1.00 0.00 O ATOM 433 CB SER A 32 1.571 10.321 -6.861 1.00 0.00 C ATOM 434 OG SER A 32 1.003 9.709 -8.016 1.00 0.00 O ATOM 0 H SER A 32 3.586 8.666 -5.932 1.00 0.00 H new ATOM 0 HA SER A 32 1.081 9.815 -4.845 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.985 11.199 -6.591 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.578 10.669 -7.093 1.00 0.00 H new ATOM 0 HG SER A 32 1.377 10.122 -8.822 1.00 0.00 H new ATOM 440 N LEU A 33 -0.308 8.114 -6.391 1.00 0.00 N ATOM 441 CA LEU A 33 -1.062 6.929 -6.761 1.00 0.00 C ATOM 442 C LEU A 33 -1.234 6.893 -8.281 1.00 0.00 C ATOM 443 O LEU A 33 -1.098 7.917 -8.949 1.00 0.00 O ATOM 444 CB LEU A 33 -2.383 6.873 -5.992 1.00 0.00 C ATOM 445 CG LEU A 33 -2.271 6.871 -4.466 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.523 6.268 -3.825 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.995 6.162 -4.011 1.00 0.00 C ATOM 0 H LEU A 33 -0.836 8.986 -6.432 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.517 6.028 -6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.991 7.727 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.921 5.976 -6.298 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.202 7.905 -4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.417 6.279 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.396 6.855 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.648 5.241 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.940 6.175 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.007 5.130 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.127 6.675 -4.424 1.00 0.00 H new ATOM 459 N ALA A 34 -1.530 5.704 -8.784 1.00 0.00 N ATOM 460 CA ALA A 34 -1.722 5.521 -10.213 1.00 0.00 C ATOM 461 C ALA A 34 -2.822 4.484 -10.447 1.00 0.00 C ATOM 462 O ALA A 34 -3.033 3.600 -9.618 1.00 0.00 O ATOM 463 CB ALA A 34 -0.394 5.120 -10.859 1.00 0.00 C ATOM 0 H ALA A 34 -1.642 4.857 -8.227 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.043 6.452 -10.680 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.538 4.983 -11.931 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.344 5.904 -10.689 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.042 4.188 -10.418 1.00 0.00 H new ATOM 469 N GLY A 35 -3.493 4.626 -11.580 1.00 0.00 N ATOM 470 CA GLY A 35 -4.566 3.713 -11.934 1.00 0.00 C ATOM 471 C GLY A 35 -5.860 4.076 -11.202 1.00 0.00 C ATOM 472 O GLY A 35 -5.887 5.019 -10.413 1.00 0.00 O ATOM 0 H GLY A 35 -3.314 5.360 -12.265 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.733 3.742 -13.011 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.277 2.692 -11.684 1.00 0.00 H new ATOM 476 N GLY A 36 -6.901 3.310 -11.491 1.00 0.00 N ATOM 477 CA GLY A 36 -8.195 3.539 -10.871 1.00 0.00 C ATOM 478 C GLY A 36 -9.216 2.496 -11.329 1.00 0.00 C ATOM 479 O GLY A 36 -8.865 1.542 -12.021 1.00 0.00 O ATOM 0 H GLY A 36 -6.875 2.529 -12.147 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.094 3.502 -9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.552 4.537 -11.124 1.00 0.00 H new ATOM 483 N ALA A 37 -10.458 2.713 -10.924 1.00 0.00 N ATOM 484 CA ALA A 37 -11.532 1.803 -11.284 1.00 0.00 C ATOM 485 C ALA A 37 -11.915 2.027 -12.748 1.00 0.00 C ATOM 486 O ALA A 37 -12.089 1.070 -13.501 1.00 0.00 O ATOM 487 CB ALA A 37 -12.715 2.008 -10.335 1.00 0.00 C ATOM 0 H ALA A 37 -10.745 3.506 -10.350 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.207 0.767 -11.182 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.521 1.325 -10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.399 1.809 -9.311 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.069 3.036 -10.412 1.00 0.00 H new ATOM 493 N ASP A 38 -12.034 3.296 -13.108 1.00 0.00 N ATOM 494 CA ASP A 38 -12.393 3.658 -14.469 1.00 0.00 C ATOM 495 C ASP A 38 -11.203 3.392 -15.393 1.00 0.00 C ATOM 496 O ASP A 38 -11.377 3.196 -16.595 1.00 0.00 O ATOM 497 CB ASP A 38 -12.746 5.143 -14.570 1.00 0.00 C ATOM 498 CG ASP A 38 -13.345 5.576 -15.909 1.00 0.00 C ATOM 499 OD1 ASP A 38 -13.650 4.670 -16.714 1.00 0.00 O ATOM 500 OD2 ASP A 38 -13.484 6.804 -16.098 1.00 0.00 O ATOM 0 H ASP A 38 -11.888 4.087 -12.481 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.258 3.061 -14.759 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.453 5.388 -13.777 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.845 5.728 -14.386 1.00 0.00 H new ATOM 505 N LEU A 39 -10.019 3.393 -14.797 1.00 0.00 N ATOM 506 CA LEU A 39 -8.801 3.154 -15.552 1.00 0.00 C ATOM 507 C LEU A 39 -8.699 1.666 -15.890 1.00 0.00 C ATOM 508 O LEU A 39 -9.529 0.868 -15.455 1.00 0.00 O ATOM 509 CB LEU A 39 -7.587 3.697 -14.795 1.00 0.00 C ATOM 510 CG LEU A 39 -7.435 5.219 -14.774 1.00 0.00 C ATOM 511 CD1 LEU A 39 -8.623 5.879 -14.070 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.100 5.629 -14.150 1.00 0.00 C ATOM 0 H LEU A 39 -9.878 3.556 -13.800 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.827 3.695 -16.498 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.638 3.343 -13.765 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.687 3.268 -15.236 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.432 5.576 -15.804 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.490 6.961 -14.069 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.544 5.627 -14.596 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.683 5.520 -13.043 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.018 6.716 -14.148 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.048 5.259 -13.126 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.281 5.205 -14.731 1.00 0.00 H new ATOM 524 N GLU A 40 -7.675 1.336 -16.663 1.00 0.00 N ATOM 525 CA GLU A 40 -7.454 -0.043 -17.065 1.00 0.00 C ATOM 526 C GLU A 40 -7.061 -0.892 -15.854 1.00 0.00 C ATOM 527 O GLU A 40 -7.518 -2.025 -15.711 1.00 0.00 O ATOM 528 CB GLU A 40 -6.394 -0.131 -18.164 1.00 0.00 C ATOM 529 CG GLU A 40 -6.987 0.230 -19.528 1.00 0.00 C ATOM 530 CD GLU A 40 -7.264 -1.026 -20.355 1.00 0.00 C ATOM 531 OE1 GLU A 40 -6.274 -1.625 -20.827 1.00 0.00 O ATOM 532 OE2 GLU A 40 -8.460 -1.359 -20.498 1.00 0.00 O ATOM 0 H GLU A 40 -6.989 2.000 -17.022 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.385 -0.436 -17.473 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.568 0.542 -17.933 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.983 -1.140 -18.198 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.912 0.790 -19.390 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.298 0.880 -20.067 1.00 0.00 H new ATOM 539 N ASN A 41 -6.216 -0.312 -15.014 1.00 0.00 N ATOM 540 CA ASN A 41 -5.756 -1.001 -13.821 1.00 0.00 C ATOM 541 C ASN A 41 -6.731 -0.731 -12.673 1.00 0.00 C ATOM 542 O ASN A 41 -6.775 0.376 -12.139 1.00 0.00 O ATOM 543 CB ASN A 41 -4.374 -0.502 -13.395 1.00 0.00 C ATOM 544 CG ASN A 41 -4.312 1.027 -13.418 1.00 0.00 C ATOM 545 OD1 ASN A 41 -5.311 1.712 -13.568 1.00 0.00 O ATOM 546 ND2 ASN A 41 -3.088 1.521 -13.263 1.00 0.00 N ATOM 0 H ASN A 41 -5.838 0.627 -15.136 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.701 -2.066 -14.047 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.146 -0.864 -12.392 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.614 -0.910 -14.062 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.941 2.530 -13.265 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.295 0.891 -13.142 1.00 0.00 H new ATOM 553 N LYS A 42 -7.489 -1.761 -12.328 1.00 0.00 N ATOM 554 CA LYS A 42 -8.460 -1.649 -11.253 1.00 0.00 C ATOM 555 C LYS A 42 -7.733 -1.332 -9.945 1.00 0.00 C ATOM 556 O LYS A 42 -8.169 -0.474 -9.180 1.00 0.00 O ATOM 557 CB LYS A 42 -9.331 -2.906 -11.184 1.00 0.00 C ATOM 558 CG LYS A 42 -10.323 -2.950 -12.348 1.00 0.00 C ATOM 559 CD LYS A 42 -11.505 -2.011 -12.096 1.00 0.00 C ATOM 560 CE LYS A 42 -12.607 -2.227 -13.135 1.00 0.00 C ATOM 561 NZ LYS A 42 -12.814 -3.672 -13.379 1.00 0.00 N ATOM 0 H LYS A 42 -7.450 -2.677 -12.774 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.146 -0.824 -11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.698 -3.793 -11.207 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.873 -2.926 -10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.819 -2.666 -13.272 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.686 -3.969 -12.483 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.904 -2.183 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.166 -0.976 -12.130 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.536 -1.774 -12.788 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.339 -1.730 -14.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.752 -3.822 -13.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.081 -4.023 -14.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.755 -4.188 -12.478 1.00 0.00 H new ATOM 575 N VAL A 43 -6.636 -2.043 -9.728 1.00 0.00 N ATOM 576 CA VAL A 43 -5.844 -1.848 -8.525 1.00 0.00 C ATOM 577 C VAL A 43 -4.892 -0.669 -8.732 1.00 0.00 C ATOM 578 O VAL A 43 -4.179 -0.610 -9.733 1.00 0.00 O ATOM 579 CB VAL A 43 -5.119 -3.145 -8.161 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.069 -3.502 -9.216 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.488 -3.049 -6.770 1.00 0.00 C ATOM 0 H VAL A 43 -6.277 -2.755 -10.365 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.487 -1.602 -7.680 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.858 -3.946 -8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.569 -4.428 -8.933 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.555 -3.633 -10.183 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.335 -2.699 -9.285 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.979 -3.984 -6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.769 -2.230 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.266 -2.864 -6.029 1.00 0.00 H new ATOM 591 N ILE A 44 -4.910 0.241 -7.770 1.00 0.00 N ATOM 592 CA ILE A 44 -4.057 1.416 -7.834 1.00 0.00 C ATOM 593 C ILE A 44 -2.600 0.994 -7.632 1.00 0.00 C ATOM 594 O ILE A 44 -2.327 -0.025 -6.999 1.00 0.00 O ATOM 595 CB ILE A 44 -4.533 2.479 -6.842 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.676 3.307 -7.432 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.369 3.357 -6.378 1.00 0.00 C ATOM 598 CD1 ILE A 44 -6.908 2.436 -7.687 1.00 0.00 C ATOM 0 H ILE A 44 -5.502 0.189 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.122 1.881 -8.818 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.925 1.972 -5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.933 4.117 -6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.352 3.768 -8.365 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.735 4.104 -5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.617 2.736 -5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.925 3.857 -7.239 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.706 3.049 -8.106 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.653 1.642 -8.389 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.243 1.996 -6.748 1.00 0.00 H new ATOM 610 N THR A 45 -1.703 1.800 -8.180 1.00 0.00 N ATOM 611 CA THR A 45 -0.281 1.524 -8.068 1.00 0.00 C ATOM 612 C THR A 45 0.494 2.815 -7.801 1.00 0.00 C ATOM 613 O THR A 45 -0.075 3.905 -7.842 1.00 0.00 O ATOM 614 CB THR A 45 0.163 0.802 -9.342 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.578 1.441 -10.379 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.312 -0.652 -9.387 1.00 0.00 C ATOM 0 H THR A 45 -1.933 2.645 -8.703 1.00 0.00 H new ATOM 0 HA THR A 45 -0.071 0.874 -7.219 1.00 0.00 H new ATOM 0 HB THR A 45 1.250 0.831 -9.416 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.350 1.035 -11.242 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.030 -1.118 -10.311 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.096 -1.195 -8.534 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.401 -0.680 -9.348 1.00 0.00 H new ATOM 624 N VAL A 46 1.781 2.651 -7.532 1.00 0.00 N ATOM 625 CA VAL A 46 2.640 3.790 -7.258 1.00 0.00 C ATOM 626 C VAL A 46 3.016 4.469 -8.577 1.00 0.00 C ATOM 627 O VAL A 46 3.923 4.018 -9.275 1.00 0.00 O ATOM 628 CB VAL A 46 3.859 3.344 -6.447 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.714 4.544 -6.037 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.434 2.529 -5.224 1.00 0.00 C ATOM 0 H VAL A 46 2.250 1.746 -7.498 1.00 0.00 H new ATOM 0 HA VAL A 46 2.114 4.527 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 46 4.468 2.702 -7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.573 4.199 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.060 5.066 -6.929 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.119 5.224 -5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.318 2.224 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.793 3.138 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.887 1.644 -5.549 1.00 0.00 H new ATOM 640 N HIS A 47 2.300 5.542 -8.878 1.00 0.00 N ATOM 641 CA HIS A 47 2.546 6.288 -10.100 1.00 0.00 C ATOM 642 C HIS A 47 4.024 6.677 -10.174 1.00 0.00 C ATOM 643 O HIS A 47 4.730 6.273 -11.097 1.00 0.00 O ATOM 644 CB HIS A 47 1.610 7.494 -10.199 1.00 0.00 C ATOM 645 CG HIS A 47 1.768 8.291 -11.472 1.00 0.00 C ATOM 646 ND1 HIS A 47 1.007 9.412 -11.753 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.606 8.118 -12.534 1.00 0.00 C ATOM 648 CE1 HIS A 47 1.378 9.884 -12.935 1.00 0.00 C ATOM 649 NE2 HIS A 47 2.369 9.080 -13.417 1.00 0.00 N ATOM 0 H HIS A 47 1.549 5.913 -8.296 1.00 0.00 H new ATOM 0 HA HIS A 47 2.327 5.660 -10.964 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.579 7.148 -10.125 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.788 8.150 -9.347 1.00 0.00 H new ATOM 0 HD1 HIS A 47 0.284 9.808 -11.153 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.338 7.331 -12.639 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.968 10.752 -13.429 1.00 0.00 H new ATOM 657 N ARG A 48 4.449 7.456 -9.190 1.00 0.00 N ATOM 658 CA ARG A 48 5.830 7.904 -9.133 1.00 0.00 C ATOM 659 C ARG A 48 6.286 8.033 -7.678 1.00 0.00 C ATOM 660 O ARG A 48 5.461 8.154 -6.774 1.00 0.00 O ATOM 661 CB ARG A 48 6.001 9.252 -9.835 1.00 0.00 C ATOM 662 CG ARG A 48 6.841 9.106 -11.106 1.00 0.00 C ATOM 663 CD ARG A 48 5.965 9.205 -12.356 1.00 0.00 C ATOM 664 NE ARG A 48 6.731 8.774 -13.547 1.00 0.00 N ATOM 665 CZ ARG A 48 6.252 8.796 -14.797 1.00 0.00 C ATOM 666 NH1 ARG A 48 5.004 9.228 -15.029 1.00 0.00 N ATOM 667 NH2 ARG A 48 7.019 8.385 -15.817 1.00 0.00 N ATOM 0 H ARG A 48 3.861 7.788 -8.426 1.00 0.00 H new ATOM 0 HA ARG A 48 6.441 7.161 -9.645 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.023 9.662 -10.086 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.479 9.960 -9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.606 9.882 -11.132 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.359 8.147 -11.096 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.078 8.582 -12.239 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.619 10.230 -12.487 1.00 0.00 H new ATOM 0 HE ARG A 48 7.684 8.439 -13.406 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.420 9.540 -14.253 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.639 9.245 -15.981 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.968 8.055 -15.641 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.653 8.402 -16.769 1.00 0.00 H new ATOM 681 N VAL A 49 7.598 8.002 -7.498 1.00 0.00 N ATOM 682 CA VAL A 49 8.173 8.114 -6.168 1.00 0.00 C ATOM 683 C VAL A 49 9.230 9.220 -6.166 1.00 0.00 C ATOM 684 O VAL A 49 10.375 8.991 -6.553 1.00 0.00 O ATOM 685 CB VAL A 49 8.726 6.758 -5.722 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.170 6.803 -4.258 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.701 5.646 -5.951 1.00 0.00 C ATOM 0 H VAL A 49 8.279 7.901 -8.250 1.00 0.00 H new ATOM 0 HA VAL A 49 7.408 8.393 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 49 9.602 6.536 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.559 5.828 -3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.949 7.555 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.318 7.058 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.119 4.693 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.798 5.860 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.455 5.591 -7.011 1.00 0.00 H new ATOM 697 N PHE A 50 8.808 10.396 -5.725 1.00 0.00 N ATOM 698 CA PHE A 50 9.703 11.539 -5.668 1.00 0.00 C ATOM 699 C PHE A 50 11.110 11.112 -5.244 1.00 0.00 C ATOM 700 O PHE A 50 11.277 10.106 -4.556 1.00 0.00 O ATOM 701 CB PHE A 50 9.137 12.498 -4.619 1.00 0.00 C ATOM 702 CG PHE A 50 7.655 12.826 -4.811 1.00 0.00 C ATOM 703 CD1 PHE A 50 7.058 12.598 -6.011 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.934 13.345 -3.781 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.682 12.901 -6.189 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.558 13.648 -3.959 1.00 0.00 C ATOM 707 CZ PHE A 50 4.961 13.420 -5.159 1.00 0.00 C ATOM 0 H PHE A 50 7.858 10.582 -5.404 1.00 0.00 H new ATOM 0 HA PHE A 50 9.774 12.006 -6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.277 12.062 -3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.710 13.425 -4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.630 12.186 -6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.408 13.527 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.208 12.719 -7.142 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.986 14.060 -3.141 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.915 13.651 -5.294 1.00 0.00 H new ATOM 717 N PRO A 51 12.112 11.919 -5.684 1.00 0.00 N ATOM 718 CA PRO A 51 13.500 11.636 -5.358 1.00 0.00 C ATOM 719 C PRO A 51 13.805 11.993 -3.902 1.00 0.00 C ATOM 720 O PRO A 51 14.630 11.345 -3.260 1.00 0.00 O ATOM 721 CB PRO A 51 14.312 12.450 -6.352 1.00 0.00 C ATOM 722 CG PRO A 51 13.368 13.512 -6.891 1.00 0.00 C ATOM 723 CD PRO A 51 11.952 13.119 -6.501 1.00 0.00 C ATOM 0 HA PRO A 51 13.743 10.577 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.177 12.905 -5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.690 11.819 -7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.619 14.490 -6.481 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.458 13.588 -7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.460 13.915 -5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.340 12.920 -7.381 1.00 0.00 H new ATOM 731 N ASN A 52 13.122 13.023 -3.424 1.00 0.00 N ATOM 732 CA ASN A 52 13.310 13.473 -2.055 1.00 0.00 C ATOM 733 C ASN A 52 12.007 13.283 -1.277 1.00 0.00 C ATOM 734 O ASN A 52 11.196 14.204 -1.182 1.00 0.00 O ATOM 735 CB ASN A 52 13.676 14.958 -2.010 1.00 0.00 C ATOM 736 CG ASN A 52 15.023 15.212 -2.688 1.00 0.00 C ATOM 737 OD1 ASN A 52 16.083 14.986 -2.126 1.00 0.00 O ATOM 738 ND2 ASN A 52 14.925 15.694 -3.924 1.00 0.00 N ATOM 0 H ASN A 52 12.438 13.558 -3.959 1.00 0.00 H new ATOM 0 HA ASN A 52 14.118 12.889 -1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.900 15.542 -2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.717 15.295 -0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.768 15.897 -4.461 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.006 15.860 -4.335 1.00 0.00 H new ATOM 745 N GLY A 53 11.845 12.083 -0.740 1.00 0.00 N ATOM 746 CA GLY A 53 10.654 11.761 0.028 1.00 0.00 C ATOM 747 C GLY A 53 10.902 10.564 0.948 1.00 0.00 C ATOM 748 O GLY A 53 12.049 10.196 1.198 1.00 0.00 O ATOM 0 H GLY A 53 12.519 11.322 -0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.355 12.625 0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.829 11.539 -0.649 1.00 0.00 H new ATOM 752 N LEU A 54 9.808 9.991 1.428 1.00 0.00 N ATOM 753 CA LEU A 54 9.893 8.843 2.316 1.00 0.00 C ATOM 754 C LEU A 54 9.727 7.560 1.500 1.00 0.00 C ATOM 755 O LEU A 54 10.545 6.647 1.600 1.00 0.00 O ATOM 756 CB LEU A 54 8.889 8.978 3.462 1.00 0.00 C ATOM 757 CG LEU A 54 8.807 10.355 4.124 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.356 10.732 4.428 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.689 10.416 5.373 1.00 0.00 C ATOM 0 H LEU A 54 8.859 10.300 1.219 1.00 0.00 H new ATOM 0 HA LEU A 54 10.875 8.796 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.900 8.719 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.140 8.244 4.227 1.00 0.00 H new ATOM 0 HG LEU A 54 9.191 11.095 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.326 11.715 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.784 10.756 3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.922 9.994 5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.613 11.405 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.358 9.664 6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.725 10.223 5.096 1.00 0.00 H new ATOM 771 N ALA A 55 8.662 7.531 0.712 1.00 0.00 N ATOM 772 CA ALA A 55 8.378 6.374 -0.120 1.00 0.00 C ATOM 773 C ALA A 55 9.655 5.948 -0.846 1.00 0.00 C ATOM 774 O ALA A 55 9.805 4.784 -1.216 1.00 0.00 O ATOM 775 CB ALA A 55 7.241 6.707 -1.087 1.00 0.00 C ATOM 0 H ALA A 55 7.985 8.290 0.632 1.00 0.00 H new ATOM 0 HA ALA A 55 8.050 5.533 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.028 5.839 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.349 6.975 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.535 7.545 -1.719 1.00 0.00 H new ATOM 781 N SER A 56 10.544 6.913 -1.030 1.00 0.00 N ATOM 782 CA SER A 56 11.804 6.653 -1.705 1.00 0.00 C ATOM 783 C SER A 56 12.858 6.202 -0.692 1.00 0.00 C ATOM 784 O SER A 56 13.576 5.232 -0.929 1.00 0.00 O ATOM 785 CB SER A 56 12.290 7.891 -2.461 1.00 0.00 C ATOM 786 OG SER A 56 13.709 7.920 -2.582 1.00 0.00 O ATOM 0 H SER A 56 10.416 7.877 -0.723 1.00 0.00 H new ATOM 0 HA SER A 56 11.644 5.856 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.841 7.909 -3.454 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.952 8.788 -1.942 1.00 0.00 H new ATOM 0 HG SER A 56 13.979 8.725 -3.072 1.00 0.00 H new ATOM 792 N GLN A 57 12.916 6.927 0.415 1.00 0.00 N ATOM 793 CA GLN A 57 13.870 6.614 1.465 1.00 0.00 C ATOM 794 C GLN A 57 13.666 5.180 1.958 1.00 0.00 C ATOM 795 O GLN A 57 14.631 4.441 2.145 1.00 0.00 O ATOM 796 CB GLN A 57 13.761 7.611 2.621 1.00 0.00 C ATOM 797 CG GLN A 57 14.699 8.801 2.408 1.00 0.00 C ATOM 798 CD GLN A 57 15.455 9.140 3.694 1.00 0.00 C ATOM 799 OE1 GLN A 57 14.875 9.410 4.733 1.00 0.00 O ATOM 800 NE2 GLN A 57 16.778 9.111 3.567 1.00 0.00 N ATOM 0 H GLN A 57 12.318 7.730 0.608 1.00 0.00 H new ATOM 0 HA GLN A 57 14.875 6.696 1.051 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.733 7.964 2.706 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.006 7.114 3.559 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.410 8.571 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.124 9.667 2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.199 8.877 2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.372 9.323 4.369 1.00 0.00 H new ATOM 809 N GLU A 58 12.403 4.829 2.153 1.00 0.00 N ATOM 810 CA GLU A 58 12.060 3.497 2.619 1.00 0.00 C ATOM 811 C GLU A 58 12.537 2.444 1.617 1.00 0.00 C ATOM 812 O GLU A 58 13.398 1.625 1.935 1.00 0.00 O ATOM 813 CB GLU A 58 10.555 3.374 2.868 1.00 0.00 C ATOM 814 CG GLU A 58 10.247 3.353 4.367 1.00 0.00 C ATOM 815 CD GLU A 58 10.729 4.638 5.044 1.00 0.00 C ATOM 816 OE1 GLU A 58 10.286 5.717 4.593 1.00 0.00 O ATOM 817 OE2 GLU A 58 11.528 4.513 5.996 1.00 0.00 O ATOM 0 H GLU A 58 11.605 5.445 1.997 1.00 0.00 H new ATOM 0 HA GLU A 58 12.568 3.324 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.036 4.209 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.179 2.463 2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.174 3.238 4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.729 2.491 4.829 1.00 0.00 H new ATOM 824 N GLY A 59 11.958 2.500 0.427 1.00 0.00 N ATOM 825 CA GLY A 59 12.314 1.561 -0.623 1.00 0.00 C ATOM 826 C GLY A 59 11.218 0.511 -0.815 1.00 0.00 C ATOM 827 O GLY A 59 11.316 -0.340 -1.697 1.00 0.00 O ATOM 0 H GLY A 59 11.245 3.181 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.475 2.099 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.254 1.069 -0.372 1.00 0.00 H new ATOM 831 N THR A 60 10.198 0.607 0.026 1.00 0.00 N ATOM 832 CA THR A 60 9.084 -0.324 -0.039 1.00 0.00 C ATOM 833 C THR A 60 8.128 0.067 -1.167 1.00 0.00 C ATOM 834 O THR A 60 7.740 -0.774 -1.977 1.00 0.00 O ATOM 835 CB THR A 60 8.418 -0.362 1.337 1.00 0.00 C ATOM 836 OG1 THR A 60 9.320 -1.119 2.139 1.00 0.00 O ATOM 837 CG2 THR A 60 7.131 -1.189 1.342 1.00 0.00 C ATOM 0 H THR A 60 10.120 1.315 0.756 1.00 0.00 H new ATOM 0 HA THR A 60 9.424 -1.332 -0.278 1.00 0.00 H new ATOM 0 HB THR A 60 8.197 0.655 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.045 -1.067 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.699 -1.183 2.343 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.420 -0.759 0.637 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.356 -2.215 1.050 1.00 0.00 H new ATOM 845 N ILE A 61 7.774 1.344 -1.184 1.00 0.00 N ATOM 846 CA ILE A 61 6.870 1.857 -2.199 1.00 0.00 C ATOM 847 C ILE A 61 7.680 2.308 -3.416 1.00 0.00 C ATOM 848 O ILE A 61 8.123 3.454 -3.481 1.00 0.00 O ATOM 849 CB ILE A 61 5.975 2.952 -1.615 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.465 2.561 -0.226 1.00 0.00 C ATOM 851 CG2 ILE A 61 4.830 3.292 -2.571 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.573 3.658 0.359 1.00 0.00 C ATOM 0 H ILE A 61 8.097 2.039 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 61 6.194 1.073 -2.539 1.00 0.00 H new ATOM 0 HB ILE A 61 6.574 3.855 -1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.906 1.628 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.310 2.382 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.209 4.073 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.239 3.643 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.225 2.402 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.224 3.355 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.143 4.583 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.716 3.818 -0.296 1.00 0.00 H new ATOM 864 N GLN A 62 7.849 1.384 -4.350 1.00 0.00 N ATOM 865 CA GLN A 62 8.598 1.673 -5.561 1.00 0.00 C ATOM 866 C GLN A 62 7.646 1.833 -6.748 1.00 0.00 C ATOM 867 O GLN A 62 6.792 0.979 -6.984 1.00 0.00 O ATOM 868 CB GLN A 62 9.638 0.585 -5.835 1.00 0.00 C ATOM 869 CG GLN A 62 10.771 0.639 -4.809 1.00 0.00 C ATOM 870 CD GLN A 62 11.679 -0.587 -4.930 1.00 0.00 C ATOM 871 OE1 GLN A 62 12.779 -0.527 -5.454 1.00 0.00 O ATOM 872 NE2 GLN A 62 11.159 -1.698 -4.418 1.00 0.00 N ATOM 0 H GLN A 62 7.480 0.435 -4.293 1.00 0.00 H new ATOM 0 HA GLN A 62 9.132 2.613 -5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.161 -0.395 -5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.045 0.710 -6.838 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.357 1.546 -4.957 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.354 0.689 -3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.232 -1.679 -3.993 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.687 -2.570 -4.450 1.00 0.00 H new ATOM 881 N LYS A 63 7.824 2.933 -7.465 1.00 0.00 N ATOM 882 CA LYS A 63 6.992 3.216 -8.622 1.00 0.00 C ATOM 883 C LYS A 63 6.849 1.947 -9.464 1.00 0.00 C ATOM 884 O LYS A 63 7.833 1.439 -10.000 1.00 0.00 O ATOM 885 CB LYS A 63 7.544 4.412 -9.400 1.00 0.00 C ATOM 886 CG LYS A 63 7.378 4.210 -10.907 1.00 0.00 C ATOM 887 CD LYS A 63 7.989 5.375 -11.688 1.00 0.00 C ATOM 888 CE LYS A 63 9.399 5.031 -12.171 1.00 0.00 C ATOM 889 NZ LYS A 63 9.846 6.000 -13.197 1.00 0.00 N ATOM 0 H LYS A 63 8.533 3.639 -7.267 1.00 0.00 H new ATOM 0 HA LYS A 63 5.989 3.506 -8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.027 5.321 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.599 4.550 -9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.855 3.277 -11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.319 4.120 -11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.357 5.616 -12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.023 6.263 -11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.091 5.039 -11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.412 4.023 -12.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.805 5.752 -13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.195 5.972 -14.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.852 6.957 -12.791 1.00 0.00 H new ATOM 903 N GLY A 64 5.615 1.472 -9.556 1.00 0.00 N ATOM 904 CA GLY A 64 5.331 0.272 -10.324 1.00 0.00 C ATOM 905 C GLY A 64 4.765 -0.832 -9.428 1.00 0.00 C ATOM 906 O GLY A 64 4.252 -1.835 -9.921 1.00 0.00 O ATOM 0 H GLY A 64 4.801 1.897 -9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.619 0.503 -11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.243 -0.079 -10.807 1.00 0.00 H new ATOM 910 N ASN A 65 4.877 -0.609 -8.127 1.00 0.00 N ATOM 911 CA ASN A 65 4.382 -1.572 -7.157 1.00 0.00 C ATOM 912 C ASN A 65 2.852 -1.575 -7.182 1.00 0.00 C ATOM 913 O ASN A 65 2.238 -0.784 -7.897 1.00 0.00 O ATOM 914 CB ASN A 65 4.831 -1.207 -5.741 1.00 0.00 C ATOM 915 CG ASN A 65 6.278 -1.642 -5.495 1.00 0.00 C ATOM 916 OD1 ASN A 65 7.131 -0.861 -5.107 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.505 -2.929 -5.743 1.00 0.00 N ATOM 0 H ASN A 65 5.303 0.224 -7.721 1.00 0.00 H new ATOM 0 HA ASN A 65 4.781 -2.552 -7.421 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.741 -0.131 -5.593 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.175 -1.685 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.439 -3.317 -5.610 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.745 -3.528 -6.066 1.00 0.00 H new ATOM 924 N GLU A 66 2.281 -2.472 -6.393 1.00 0.00 N ATOM 925 CA GLU A 66 0.835 -2.588 -6.315 1.00 0.00 C ATOM 926 C GLU A 66 0.335 -2.097 -4.955 1.00 0.00 C ATOM 927 O GLU A 66 0.686 -2.661 -3.920 1.00 0.00 O ATOM 928 CB GLU A 66 0.386 -4.027 -6.577 1.00 0.00 C ATOM 929 CG GLU A 66 -1.021 -4.271 -6.026 1.00 0.00 C ATOM 930 CD GLU A 66 -1.674 -5.477 -6.705 1.00 0.00 C ATOM 931 OE1 GLU A 66 -0.939 -6.459 -6.946 1.00 0.00 O ATOM 932 OE2 GLU A 66 -2.893 -5.390 -6.967 1.00 0.00 O ATOM 0 H GLU A 66 2.794 -3.126 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 66 0.397 -1.958 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.401 -4.227 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.087 -4.721 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.970 -4.438 -4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.635 -3.384 -6.182 1.00 0.00 H new ATOM 939 N VAL A 67 -0.476 -1.050 -5.002 1.00 0.00 N ATOM 940 CA VAL A 67 -1.028 -0.476 -3.786 1.00 0.00 C ATOM 941 C VAL A 67 -2.353 -1.167 -3.457 1.00 0.00 C ATOM 942 O VAL A 67 -3.366 -0.918 -4.110 1.00 0.00 O ATOM 943 CB VAL A 67 -1.165 1.040 -3.939 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.665 1.678 -2.641 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.156 1.668 -4.386 1.00 0.00 C ATOM 0 H VAL A 67 -0.764 -0.584 -5.863 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.356 -0.645 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.906 1.233 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.754 2.756 -2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.639 1.263 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.958 1.470 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.031 2.746 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.927 1.460 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.453 1.246 -5.346 1.00 0.00 H new ATOM 955 N LEU A 68 -2.304 -2.020 -2.445 1.00 0.00 N ATOM 956 CA LEU A 68 -3.488 -2.748 -2.021 1.00 0.00 C ATOM 957 C LEU A 68 -4.405 -1.808 -1.235 1.00 0.00 C ATOM 958 O LEU A 68 -5.596 -1.711 -1.526 1.00 0.00 O ATOM 959 CB LEU A 68 -3.094 -4.009 -1.250 1.00 0.00 C ATOM 960 CG LEU A 68 -1.982 -4.856 -1.873 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.247 -5.667 -0.804 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.531 -5.745 -2.991 1.00 0.00 C ATOM 0 H LEU A 68 -1.462 -2.224 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.052 -3.095 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.782 -3.715 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.980 -4.634 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.253 -4.184 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.462 -6.260 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.803 -4.990 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.952 -6.330 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.720 -6.336 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.292 -6.411 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.972 -5.121 -3.768 1.00 0.00 H new ATOM 974 N SER A 69 -3.815 -1.140 -0.255 1.00 0.00 N ATOM 975 CA SER A 69 -4.564 -0.212 0.574 1.00 0.00 C ATOM 976 C SER A 69 -3.630 0.867 1.127 1.00 0.00 C ATOM 977 O SER A 69 -2.410 0.743 1.035 1.00 0.00 O ATOM 978 CB SER A 69 -5.268 -0.942 1.720 1.00 0.00 C ATOM 979 OG SER A 69 -4.478 -0.961 2.906 1.00 0.00 O ATOM 0 H SER A 69 -2.827 -1.223 -0.017 1.00 0.00 H new ATOM 0 HA SER A 69 -5.328 0.259 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.222 -0.457 1.927 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.490 -1.965 1.416 1.00 0.00 H new ATOM 0 HG SER A 69 -4.963 -1.434 3.614 1.00 0.00 H new ATOM 985 N ILE A 70 -4.240 1.901 1.688 1.00 0.00 N ATOM 986 CA ILE A 70 -3.478 3.001 2.255 1.00 0.00 C ATOM 987 C ILE A 70 -4.126 3.440 3.569 1.00 0.00 C ATOM 988 O ILE A 70 -5.289 3.842 3.589 1.00 0.00 O ATOM 989 CB ILE A 70 -3.329 4.132 1.235 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.395 3.722 0.095 1.00 0.00 C ATOM 991 CG2 ILE A 70 -2.873 5.425 1.913 1.00 0.00 C ATOM 992 CD1 ILE A 70 -2.111 4.904 -0.834 1.00 0.00 C ATOM 0 H ILE A 70 -5.252 2.000 1.762 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.463 2.680 2.491 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.307 4.327 0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.458 3.344 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.845 2.908 -0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.775 6.213 1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.609 5.723 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.910 5.262 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.445 4.585 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.047 5.264 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.639 5.707 -0.268 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.346 3.349 4.636 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.829 3.732 5.952 1.00 0.00 C ATOM 1006 C ASN A 71 -4.811 2.674 6.458 1.00 0.00 C ATOM 1007 O ASN A 71 -5.438 2.851 7.502 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.565 5.073 5.900 1.00 0.00 C ATOM 1009 CG ASN A 71 -3.990 5.972 4.803 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -4.633 6.276 3.813 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -2.745 6.378 5.035 1.00 0.00 N ATOM 0 H ASN A 71 -2.382 3.015 4.616 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.968 3.818 6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.626 4.903 5.717 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.485 5.574 6.865 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.272 6.981 4.363 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.263 6.086 5.885 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.915 1.596 5.694 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.810 0.508 6.052 1.00 0.00 C ATOM 1020 C GLY A 72 -7.101 0.569 5.233 1.00 0.00 C ATOM 1021 O GLY A 72 -8.001 -0.247 5.426 1.00 0.00 O ATOM 0 H GLY A 72 -4.394 1.453 4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.313 -0.447 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.046 0.561 7.115 1.00 0.00 H new ATOM 1025 N LYS A 73 -7.150 1.543 4.337 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.316 1.721 3.488 1.00 0.00 C ATOM 1027 C LYS A 73 -8.107 0.961 2.176 1.00 0.00 C ATOM 1028 O LYS A 73 -7.326 1.386 1.326 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.617 3.208 3.295 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.391 3.448 1.997 1.00 0.00 C ATOM 1031 CD LYS A 73 -9.760 4.924 1.843 1.00 0.00 C ATOM 1032 CE LYS A 73 -11.193 5.183 2.312 1.00 0.00 C ATOM 1033 NZ LYS A 73 -11.209 6.180 3.406 1.00 0.00 N ATOM 0 H LYS A 73 -6.401 2.218 4.180 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.201 1.300 3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.196 3.578 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.684 3.772 3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.789 3.130 1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.296 2.841 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.068 5.538 2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.656 5.222 0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.796 5.541 1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.644 4.251 2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.189 6.344 3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.651 5.824 4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.798 7.073 3.067 1.00 0.00 H new ATOM 1047 N SER A 74 -8.818 -0.150 2.053 1.00 0.00 N ATOM 1048 CA SER A 74 -8.720 -0.973 0.860 1.00 0.00 C ATOM 1049 C SER A 74 -9.452 -0.298 -0.303 1.00 0.00 C ATOM 1050 O SER A 74 -10.450 0.390 -0.097 1.00 0.00 O ATOM 1051 CB SER A 74 -9.292 -2.371 1.106 1.00 0.00 C ATOM 1052 OG SER A 74 -9.124 -2.785 2.459 1.00 0.00 O ATOM 0 H SER A 74 -9.465 -0.500 2.760 1.00 0.00 H new ATOM 0 HA SER A 74 -7.666 -1.081 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.352 -2.379 0.853 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.802 -3.085 0.445 1.00 0.00 H new ATOM 0 HG SER A 74 -9.503 -3.681 2.576 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.926 -0.519 -1.499 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.516 0.060 -2.694 1.00 0.00 C ATOM 1060 C LEU A 75 -10.672 -0.824 -3.165 1.00 0.00 C ATOM 1061 O LEU A 75 -10.451 -1.897 -3.723 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.445 0.292 -3.762 1.00 0.00 C ATOM 1063 CG LEU A 75 -7.081 0.764 -3.252 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.994 0.534 -4.303 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -7.141 2.225 -2.800 1.00 0.00 C ATOM 0 H LEU A 75 -8.098 -1.091 -1.666 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.933 1.043 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.303 -0.637 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.821 1.030 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.817 0.167 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.035 0.878 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.932 -0.529 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.240 1.089 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.159 2.536 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.437 2.854 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.869 2.327 -1.996 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.882 -0.340 -2.923 1.00 0.00 N ATOM 1078 CA LYS A 76 -13.074 -1.072 -3.316 1.00 0.00 C ATOM 1079 C LYS A 76 -13.439 -0.708 -4.756 1.00 0.00 C ATOM 1080 O LYS A 76 -14.537 -1.014 -5.218 1.00 0.00 O ATOM 1081 CB LYS A 76 -14.205 -0.831 -2.315 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.359 0.661 -2.010 1.00 0.00 C ATOM 1083 CD LYS A 76 -13.804 0.998 -0.625 1.00 0.00 C ATOM 1084 CE LYS A 76 -13.418 2.476 -0.533 1.00 0.00 C ATOM 1085 NZ LYS A 76 -13.760 3.019 0.800 1.00 0.00 N ATOM 0 H LYS A 76 -12.062 0.551 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.886 -2.145 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.140 -1.222 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.001 -1.375 -1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.837 1.246 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.412 0.940 -2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.549 0.765 0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.932 0.377 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.350 2.591 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.936 3.042 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.491 4.023 0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.783 2.927 0.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.246 2.490 1.533 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.497 -0.060 -5.426 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.706 0.348 -6.805 1.00 0.00 C ATOM 1101 C GLY A 77 -12.704 1.873 -6.931 1.00 0.00 C ATOM 1102 O GLY A 77 -13.318 2.425 -7.843 1.00 0.00 O ATOM 0 H GLY A 77 -11.587 0.192 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.923 -0.074 -7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.655 -0.049 -7.166 1.00 0.00 H new ATOM 1106 N THR A 78 -12.007 2.511 -6.002 1.00 0.00 N ATOM 1107 CA THR A 78 -11.917 3.961 -5.998 1.00 0.00 C ATOM 1108 C THR A 78 -11.358 4.464 -7.330 1.00 0.00 C ATOM 1109 O THR A 78 -10.468 3.842 -7.909 1.00 0.00 O ATOM 1110 CB THR A 78 -11.078 4.379 -4.790 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.176 3.272 -3.898 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.706 5.539 -4.014 1.00 0.00 C ATOM 0 H THR A 78 -11.499 2.050 -5.247 1.00 0.00 H new ATOM 0 HA THR A 78 -12.902 4.418 -5.902 1.00 0.00 H new ATOM 0 HB THR A 78 -10.080 4.663 -5.123 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.658 3.459 -3.087 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.070 5.796 -3.167 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.805 6.404 -4.670 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.691 5.244 -3.652 1.00 0.00 H new ATOM 1120 N THR A 79 -11.902 5.586 -7.778 1.00 0.00 N ATOM 1121 CA THR A 79 -11.468 6.180 -9.031 1.00 0.00 C ATOM 1122 C THR A 79 -10.124 6.889 -8.848 1.00 0.00 C ATOM 1123 O THR A 79 -9.743 7.224 -7.728 1.00 0.00 O ATOM 1124 CB THR A 79 -12.581 7.107 -9.525 1.00 0.00 C ATOM 1125 OG1 THR A 79 -13.019 7.782 -8.349 1.00 0.00 O ATOM 1126 CG2 THR A 79 -13.817 6.338 -9.996 1.00 0.00 C ATOM 0 H THR A 79 -12.640 6.099 -7.296 1.00 0.00 H new ATOM 0 HA THR A 79 -11.297 5.418 -9.792 1.00 0.00 H new ATOM 0 HB THR A 79 -12.204 7.723 -10.341 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.740 8.405 -8.579 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.576 7.042 -10.336 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.543 5.676 -10.817 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.214 5.747 -9.171 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.444 7.095 -9.966 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.151 7.757 -9.944 1.00 0.00 C ATOM 1136 C HIS A 80 -8.220 8.988 -9.038 1.00 0.00 C ATOM 1137 O HIS A 80 -7.332 9.210 -8.216 1.00 0.00 O ATOM 1138 CB HIS A 80 -7.686 8.090 -11.363 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.301 8.687 -11.431 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.180 8.039 -10.943 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -5.867 9.878 -11.937 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.125 8.814 -11.149 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.553 9.953 -11.764 1.00 0.00 N ATOM 0 H HIS A 80 -9.764 6.815 -10.893 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.401 7.084 -9.528 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.709 7.181 -11.964 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.393 8.787 -11.812 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.168 7.120 -10.500 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.487 10.631 -12.400 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.105 8.584 -10.877 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.284 9.757 -9.220 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.481 10.961 -8.429 1.00 0.00 C ATOM 1153 C HIS A 81 -9.747 10.579 -6.972 1.00 0.00 C ATOM 1154 O HIS A 81 -8.991 10.959 -6.079 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.591 11.828 -9.027 1.00 0.00 C ATOM 1156 CG HIS A 81 -11.306 12.693 -8.017 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -10.823 13.449 -6.990 1.00 0.00 N flip ATOM 1158 CD2 HIS A 81 -12.682 12.844 -8.001 1.00 0.00 C flip ATOM 1159 CE1 HIS A 81 -11.847 14.032 -6.380 1.00 0.00 C flip ATOM 1160 NE2 HIS A 81 -13.001 13.658 -7.005 1.00 0.00 N flip ATOM 0 H HIS A 81 -10.018 9.570 -9.903 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.575 11.567 -8.450 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.163 12.467 -9.799 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.319 11.181 -9.517 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -13.377 12.378 -8.684 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.778 14.694 -5.529 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -13.944 13.953 -6.750 1.00 0.00 H new ATOM 1168 N ASP A 82 -10.825 9.833 -6.776 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.200 9.396 -5.442 1.00 0.00 C ATOM 1170 C ASP A 82 -9.972 8.819 -4.735 1.00 0.00 C ATOM 1171 O ASP A 82 -9.903 8.817 -3.507 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.269 8.303 -5.501 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.680 8.795 -5.829 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -13.790 9.972 -6.237 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.616 7.984 -5.665 1.00 0.00 O ATOM 0 H ASP A 82 -11.450 9.520 -7.519 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.594 10.258 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.974 7.567 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.294 7.788 -4.541 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.034 8.344 -5.540 1.00 0.00 N ATOM 1181 CA ALA A 83 -7.812 7.766 -5.007 1.00 0.00 C ATOM 1182 C ALA A 83 -6.805 8.882 -4.724 1.00 0.00 C ATOM 1183 O ALA A 83 -6.241 8.953 -3.634 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.269 6.725 -5.988 1.00 0.00 C ATOM 0 H ALA A 83 -9.095 8.347 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.009 7.254 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.352 6.292 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.010 5.939 -6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.057 7.202 -6.945 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.611 9.728 -5.726 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.682 10.838 -5.599 1.00 0.00 C ATOM 1192 C LEU A 84 -6.009 11.628 -4.331 1.00 0.00 C ATOM 1193 O LEU A 84 -5.118 11.939 -3.542 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.685 11.687 -6.872 1.00 0.00 C ATOM 1195 CG LEU A 84 -5.146 11.009 -8.132 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -5.981 11.385 -9.358 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -3.662 11.323 -8.332 1.00 0.00 C ATOM 0 H LEU A 84 -7.081 9.667 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.661 10.471 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.708 12.010 -7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.096 12.586 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.233 9.930 -8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.576 10.889 -10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.013 11.069 -9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.950 12.465 -9.502 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.304 10.829 -9.235 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.528 12.400 -8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.095 10.964 -7.473 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.290 11.931 -4.174 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.746 12.680 -3.016 1.00 0.00 C ATOM 1211 C ALA A 85 -7.406 11.900 -1.744 1.00 0.00 C ATOM 1212 O ALA A 85 -6.722 12.413 -0.861 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.244 12.960 -3.146 1.00 0.00 C ATOM 0 H ALA A 85 -8.026 11.671 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.239 13.643 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.586 13.522 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.428 13.541 -4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.787 12.017 -3.204 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.901 10.672 -1.692 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.659 9.815 -0.543 1.00 0.00 C ATOM 1221 C ILE A 86 -6.167 9.833 -0.205 1.00 0.00 C ATOM 1222 O ILE A 86 -5.791 9.789 0.966 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.216 8.413 -0.793 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.506 8.186 -0.002 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.164 7.343 -0.492 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.622 7.664 -0.910 1.00 0.00 C ATOM 0 H ILE A 86 -8.469 10.250 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.189 10.192 0.332 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.467 8.329 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.323 7.473 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.819 9.120 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.586 6.355 -0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.297 7.494 -1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.859 7.416 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.527 7.511 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.819 8.390 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.315 6.718 -1.356 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.356 9.897 -1.251 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.913 9.921 -1.080 1.00 0.00 C ATOM 1240 C LEU A 87 -3.501 11.251 -0.447 1.00 0.00 C ATOM 1241 O LEU A 87 -2.541 11.307 0.320 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.211 9.627 -2.407 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.743 10.047 -2.496 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.617 11.553 -2.734 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -0.967 9.596 -1.257 1.00 0.00 C ATOM 0 H LEU A 87 -5.671 9.933 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.597 9.132 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.274 8.556 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.760 10.127 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.297 9.547 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.563 11.825 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.113 11.816 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.085 12.092 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.074 9.907 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.406 10.048 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.015 8.510 -1.173 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.248 12.290 -0.792 1.00 0.00 N ATOM 1258 CA ARG A 88 -3.972 13.617 -0.268 1.00 0.00 C ATOM 1259 C ARG A 88 -4.370 13.698 1.207 1.00 0.00 C ATOM 1260 O ARG A 88 -3.981 14.631 1.909 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.730 14.689 -1.053 1.00 0.00 C ATOM 1262 CG ARG A 88 -4.081 14.931 -2.418 1.00 0.00 C ATOM 1263 CD ARG A 88 -4.853 15.986 -3.212 1.00 0.00 C ATOM 1264 NE ARG A 88 -4.355 17.338 -2.875 1.00 0.00 N ATOM 1265 CZ ARG A 88 -4.853 18.472 -3.387 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -5.866 18.423 -4.262 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -4.338 19.654 -3.024 1.00 0.00 N ATOM 0 H ARG A 88 -5.044 12.240 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.902 13.797 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.767 14.381 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.746 15.619 -0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.049 15.256 -2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.050 13.998 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.740 15.804 -4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.917 15.915 -2.988 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.584 17.412 -2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.258 17.523 -4.538 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.245 19.286 -4.652 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.567 19.691 -2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.717 20.517 -3.414 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.140 12.708 1.634 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.595 12.656 3.013 1.00 0.00 C ATOM 1283 C GLN A 89 -4.629 11.825 3.860 1.00 0.00 C ATOM 1284 O GLN A 89 -4.499 12.051 5.062 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.018 12.100 3.100 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.020 13.052 2.444 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.338 13.081 3.220 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.376 12.968 4.434 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.414 13.240 2.454 1.00 0.00 N ATOM 0 H GLN A 89 -5.460 11.936 1.050 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.612 13.672 3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.062 11.127 2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.288 11.945 4.144 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.598 14.056 2.400 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.206 12.739 1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.312 13.328 1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.341 13.273 2.878 1.00 0.00 H new ATOM 1298 N ALA A 90 -3.977 10.880 3.199 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.027 10.013 3.876 1.00 0.00 C ATOM 1300 C ALA A 90 -1.766 10.812 4.214 1.00 0.00 C ATOM 1301 O ALA A 90 -0.862 10.302 4.873 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.729 8.797 2.998 1.00 0.00 C ATOM 0 H ALA A 90 -4.088 10.695 2.202 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.444 9.643 4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.017 8.147 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.652 8.248 2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.306 9.128 2.050 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.746 12.051 3.745 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.611 12.925 3.989 1.00 0.00 C ATOM 1310 C ARG A 91 -0.915 13.881 5.144 1.00 0.00 C ATOM 1311 O ARG A 91 -0.055 14.659 5.553 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.265 13.739 2.740 1.00 0.00 C ATOM 1313 CG ARG A 91 0.067 12.821 1.562 1.00 0.00 C ATOM 1314 CD ARG A 91 -0.048 13.572 0.233 1.00 0.00 C ATOM 1315 NE ARG A 91 1.137 13.294 -0.609 1.00 0.00 N ATOM 1316 CZ ARG A 91 1.373 13.880 -1.790 1.00 0.00 C ATOM 1317 NH1 ARG A 91 0.507 14.781 -2.276 1.00 0.00 N ATOM 1318 NH2 ARG A 91 2.474 13.567 -2.486 1.00 0.00 N ATOM 0 H ARG A 91 -2.497 12.470 3.197 1.00 0.00 H new ATOM 0 HA ARG A 91 0.241 12.297 4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.104 14.384 2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.584 14.390 2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.077 12.428 1.676 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.609 11.966 1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.955 13.267 -0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.131 14.643 0.417 1.00 0.00 H new ATOM 0 HE ARG A 91 1.816 12.614 -0.269 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.331 15.020 -1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.687 15.227 -3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.133 12.882 -2.117 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.653 14.014 -3.385 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.142 13.790 5.637 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.570 14.637 6.738 1.00 0.00 C ATOM 1334 C GLU A 92 -1.971 14.140 8.055 1.00 0.00 C ATOM 1335 O GLU A 92 -1.538 14.938 8.884 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.097 14.701 6.819 1.00 0.00 C ATOM 1337 CG GLU A 92 -4.602 14.091 8.128 1.00 0.00 C ATOM 1338 CD GLU A 92 -4.492 15.093 9.278 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -5.061 16.196 9.127 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -3.841 14.734 10.283 1.00 0.00 O ATOM 0 H GLU A 92 -2.853 13.143 5.295 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.206 15.648 6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.426 15.738 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.532 14.168 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.640 13.779 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.025 13.197 8.363 1.00 0.00 H new ATOM 1347 N PRO A 93 -1.967 12.789 8.210 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.429 12.175 9.412 1.00 0.00 C ATOM 1349 C PRO A 93 0.101 12.215 9.410 1.00 0.00 C ATOM 1350 O PRO A 93 0.713 12.632 8.429 1.00 0.00 O ATOM 1351 CB PRO A 93 -1.986 10.761 9.416 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.434 10.486 7.990 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.472 11.813 7.249 1.00 0.00 C ATOM 0 HA PRO A 93 -1.718 12.705 10.320 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.229 10.044 9.733 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.820 10.672 10.112 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.747 9.795 7.501 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.418 10.016 7.983 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.853 11.784 6.352 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.485 12.059 6.930 1.00 0.00 H new ATOM 1361 N ARG A 94 0.674 11.775 10.521 1.00 0.00 N ATOM 1362 CA ARG A 94 2.120 11.755 10.660 1.00 0.00 C ATOM 1363 C ARG A 94 2.679 10.407 10.198 1.00 0.00 C ATOM 1364 O ARG A 94 3.877 10.280 9.950 1.00 0.00 O ATOM 1365 CB ARG A 94 2.538 12.002 12.111 1.00 0.00 C ATOM 1366 CG ARG A 94 1.863 13.257 12.669 1.00 0.00 C ATOM 1367 CD ARG A 94 2.900 14.323 13.029 1.00 0.00 C ATOM 1368 NE ARG A 94 2.550 14.953 14.322 1.00 0.00 N ATOM 1369 CZ ARG A 94 2.611 14.325 15.504 1.00 0.00 C ATOM 1370 NH1 ARG A 94 3.009 13.047 15.564 1.00 0.00 N ATOM 1371 NH2 ARG A 94 2.275 14.976 16.626 1.00 0.00 N ATOM 0 H ARG A 94 0.163 11.430 11.333 1.00 0.00 H new ATOM 0 HA ARG A 94 2.524 12.553 10.037 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.272 11.139 12.722 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.621 12.111 12.168 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.165 13.657 11.933 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.280 12.998 13.553 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.891 13.872 13.091 1.00 0.00 H new ATOM 0 HD3 ARG A 94 2.943 15.080 12.246 1.00 0.00 H new ATOM 0 HE ARG A 94 2.243 15.926 14.313 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.266 12.552 14.710 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.055 12.569 16.464 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.973 15.949 16.580 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.321 14.498 17.526 1.00 0.00 H new ATOM 1385 N GLN A 95 1.784 9.435 10.098 1.00 0.00 N ATOM 1386 CA GLN A 95 2.173 8.102 9.670 1.00 0.00 C ATOM 1387 C GLN A 95 1.268 7.624 8.534 1.00 0.00 C ATOM 1388 O GLN A 95 0.094 7.987 8.475 1.00 0.00 O ATOM 1389 CB GLN A 95 2.145 7.120 10.844 1.00 0.00 C ATOM 1390 CG GLN A 95 2.670 5.746 10.422 1.00 0.00 C ATOM 1391 CD GLN A 95 1.535 4.722 10.360 1.00 0.00 C ATOM 1392 OE1 GLN A 95 0.530 4.909 9.694 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.751 3.631 11.089 1.00 0.00 N ATOM 0 H GLN A 95 0.791 9.544 10.306 1.00 0.00 H new ATOM 0 HA GLN A 95 3.197 8.145 9.299 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.751 7.509 11.663 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.126 7.025 11.219 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.152 5.820 9.447 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.430 5.410 11.128 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.615 3.538 11.624 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.053 2.888 11.113 1.00 0.00 H new ATOM 1402 N ALA A 96 1.847 6.815 7.658 1.00 0.00 N ATOM 1403 CA ALA A 96 1.107 6.284 6.527 1.00 0.00 C ATOM 1404 C ALA A 96 1.389 4.785 6.397 1.00 0.00 C ATOM 1405 O ALA A 96 2.542 4.361 6.439 1.00 0.00 O ATOM 1406 CB ALA A 96 1.482 7.058 5.262 1.00 0.00 C ATOM 0 H ALA A 96 2.820 6.515 7.709 1.00 0.00 H new ATOM 0 HA ALA A 96 0.035 6.407 6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.926 6.659 4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.236 8.112 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.551 6.955 5.076 1.00 0.00 H new ATOM 1412 N VAL A 97 0.315 4.025 6.243 1.00 0.00 N ATOM 1413 CA VAL A 97 0.432 2.583 6.107 1.00 0.00 C ATOM 1414 C VAL A 97 0.054 2.177 4.681 1.00 0.00 C ATOM 1415 O VAL A 97 -1.049 2.467 4.221 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.419 1.887 7.172 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -0.896 0.518 6.683 1.00 0.00 C ATOM 1418 CG2 VAL A 97 0.347 1.762 8.491 1.00 0.00 C ATOM 0 H VAL A 97 -0.640 4.381 6.209 1.00 0.00 H new ATOM 0 HA VAL A 97 1.461 2.266 6.273 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.299 2.504 7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.498 0.044 7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.497 0.642 5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.033 -0.110 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.280 1.264 9.230 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.253 1.178 8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.614 2.755 8.852 1.00 0.00 H new ATOM 1428 N ILE A 98 0.991 1.512 4.022 1.00 0.00 N ATOM 1429 CA ILE A 98 0.771 1.063 2.658 1.00 0.00 C ATOM 1430 C ILE A 98 1.108 -0.426 2.555 1.00 0.00 C ATOM 1431 O ILE A 98 2.237 -0.831 2.827 1.00 0.00 O ATOM 1432 CB ILE A 98 1.549 1.939 1.674 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.215 3.418 1.874 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.311 1.487 0.231 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.233 4.090 2.797 1.00 0.00 C ATOM 0 H ILE A 98 1.905 1.273 4.407 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.279 1.172 2.386 1.00 0.00 H new ATOM 0 HB ILE A 98 2.613 1.819 1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.203 3.925 0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.215 3.515 2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.875 2.126 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.639 0.454 0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.249 1.558 -0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.972 5.141 2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.225 3.596 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.228 4.013 2.359 1.00 0.00 H new ATOM 1447 N VAL A 99 0.107 -1.200 2.162 1.00 0.00 N ATOM 1448 CA VAL A 99 0.283 -2.636 2.019 1.00 0.00 C ATOM 1449 C VAL A 99 0.516 -2.973 0.545 1.00 0.00 C ATOM 1450 O VAL A 99 -0.376 -2.798 -0.284 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.917 -3.372 2.619 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.641 -4.873 2.726 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.296 -2.785 3.979 1.00 0.00 C ATOM 0 H VAL A 99 -0.828 -0.860 1.938 1.00 0.00 H new ATOM 0 HA VAL A 99 1.161 -2.970 2.571 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.765 -3.235 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.509 -5.373 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.443 -5.278 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.226 -5.039 3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.151 -3.326 4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.452 -2.877 4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.555 -1.733 3.862 1.00 0.00 H new ATOM 1463 N THR A 100 1.720 -3.450 0.263 1.00 0.00 N ATOM 1464 CA THR A 100 2.081 -3.813 -1.096 1.00 0.00 C ATOM 1465 C THR A 100 2.774 -5.177 -1.118 1.00 0.00 C ATOM 1466 O THR A 100 3.341 -5.605 -0.114 1.00 0.00 O ATOM 1467 CB THR A 100 2.939 -2.686 -1.674 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.080 -2.646 -0.821 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.294 -1.310 -1.500 1.00 0.00 C ATOM 0 H THR A 100 2.457 -3.593 0.953 1.00 0.00 H new ATOM 0 HA THR A 100 1.197 -3.923 -1.724 1.00 0.00 H new ATOM 0 HB THR A 100 3.116 -2.872 -2.733 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.691 -1.943 -1.125 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.944 -0.547 -1.927 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.331 -1.293 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.147 -1.109 -0.439 1.00 0.00 H new ATOM 1477 N ARG A 101 2.705 -5.822 -2.273 1.00 0.00 N ATOM 1478 CA ARG A 101 3.319 -7.129 -2.438 1.00 0.00 C ATOM 1479 C ARG A 101 4.660 -6.997 -3.164 1.00 0.00 C ATOM 1480 O ARG A 101 4.920 -5.987 -3.816 1.00 0.00 O ATOM 1481 CB ARG A 101 2.408 -8.069 -3.230 1.00 0.00 C ATOM 1482 CG ARG A 101 1.132 -8.384 -2.447 1.00 0.00 C ATOM 1483 CD ARG A 101 -0.112 -7.993 -3.247 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.765 -9.204 -3.793 1.00 0.00 N ATOM 1485 CZ ARG A 101 -1.486 -10.063 -3.060 1.00 0.00 C ATOM 1486 NH1 ARG A 101 -1.653 -9.850 -1.748 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -2.042 -11.136 -3.640 1.00 0.00 N ATOM 0 H ARG A 101 2.233 -5.464 -3.104 1.00 0.00 H new ATOM 0 HA ARG A 101 3.479 -7.549 -1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.149 -7.612 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.940 -8.994 -3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.098 -9.448 -2.212 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.142 -7.848 -1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.809 -7.451 -2.608 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.165 -7.321 -4.060 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.660 -9.396 -4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.231 -9.033 -1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.202 -10.505 -1.191 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.916 -11.298 -4.639 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.591 -11.790 -3.082 1.00 0.00 H new