USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 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 65 ASN : amide:sc= -0.549 K(o=-0.55,f=-2.1!) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 19 THR OG1 : rot 3:sc= -5.39! USER MOD Set 2.2: A 60 THR OG1 : rot 160:sc= 0.745 USER MOD Single : A 17 HIS :FLIP no HD1:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.673 X(o=-0.67,f=-0.21) USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= -4.66! (180deg=-4.81!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.525 USER MOD Single : A 41 ASN : amide:sc=-0.000427 X(o=-0.00043,f=-0.46) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.0296 (180deg=-0.278) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -0.265 F(o=-1.4,f=-0.26) USER MOD Single : A 52 ASN :FLIP amide:sc= -1.35 F(o=-2.3,f=-1.3) USER MOD Single : A 56 SER OG : rot 133:sc= 0.269 USER MOD Single : A 57 GLN : amide:sc= -0.0046 X(o=-0.0046,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.19) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.224 F(o=-0.8,f=-0.22) USER MOD Single : A 73 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0519) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.787 USER MOD Single : A 80 HIS : no HE2:sc= -0.884 K(o=-0.88,f=-5!) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.199 F(o=-0.89,f=-0.2) USER MOD Single : A 89 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.5!) USER MOD Single : A 95 GLN :FLIP amide:sc= -3.16! C(o=-4!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 5.140 -6.421 2.601 1.00 0.00 N ATOM 206 CA HIS A 17 5.765 -5.847 3.780 1.00 0.00 C ATOM 207 C HIS A 17 5.134 -4.487 4.084 1.00 0.00 C ATOM 208 O HIS A 17 5.085 -3.613 3.220 1.00 0.00 O ATOM 209 CB HIS A 17 7.283 -5.770 3.607 1.00 0.00 C ATOM 210 CG HIS A 17 7.775 -6.263 2.267 1.00 0.00 C ATOM 211 ND1 HIS A 17 7.874 -5.627 1.065 1.00 0.00 N flip ATOM 212 CD2 HIS A 17 8.233 -7.554 2.065 1.00 0.00 C flip ATOM 213 CE1 HIS A 17 8.367 -6.481 0.177 1.00 0.00 C flip ATOM 214 NE2 HIS A 17 8.589 -7.676 0.795 1.00 0.00 N flip ATOM 0 HA HIS A 17 5.588 -6.492 4.641 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.602 -4.736 3.741 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.758 -6.355 4.394 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.290 -8.329 2.815 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.560 -6.265 -0.863 1.00 0.00 H new ATOM 0 HE2 HIS A 17 8.964 -8.517 0.356 1.00 0.00 H new ATOM 222 N VAL A 18 4.666 -4.350 5.316 1.00 0.00 N ATOM 223 CA VAL A 18 4.040 -3.111 5.746 1.00 0.00 C ATOM 224 C VAL A 18 5.104 -2.016 5.850 1.00 0.00 C ATOM 225 O VAL A 18 6.174 -2.238 6.415 1.00 0.00 O ATOM 226 CB VAL A 18 3.282 -3.335 7.056 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.830 -2.004 7.662 1.00 0.00 C ATOM 228 CG2 VAL A 18 2.092 -4.274 6.847 1.00 0.00 C ATOM 0 H VAL A 18 4.708 -5.077 6.030 1.00 0.00 H new ATOM 0 HA VAL A 18 3.304 -2.780 5.013 1.00 0.00 H new ATOM 0 HB VAL A 18 3.964 -3.810 7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.294 -2.191 8.592 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.702 -1.382 7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.172 -1.490 6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.570 -4.417 7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.409 -3.839 6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.448 -5.237 6.480 1.00 0.00 H new ATOM 238 N THR A 19 4.773 -0.859 5.296 1.00 0.00 N ATOM 239 CA THR A 19 5.686 0.270 5.320 1.00 0.00 C ATOM 240 C THR A 19 5.105 1.409 6.162 1.00 0.00 C ATOM 241 O THR A 19 4.044 1.941 5.843 1.00 0.00 O ATOM 242 CB THR A 19 5.979 0.673 3.873 1.00 0.00 C ATOM 243 OG1 THR A 19 6.887 -0.324 3.413 1.00 0.00 O ATOM 244 CG2 THR A 19 6.775 1.975 3.777 1.00 0.00 C ATOM 0 H THR A 19 3.885 -0.679 4.828 1.00 0.00 H new ATOM 0 HA THR A 19 6.630 0.004 5.796 1.00 0.00 H new ATOM 0 HB THR A 19 5.041 0.781 3.329 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.025 -0.991 4.118 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.955 2.215 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.209 2.782 4.242 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.729 1.857 4.292 1.00 0.00 H new ATOM 252 N ILE A 20 5.828 1.748 7.220 1.00 0.00 N ATOM 253 CA ILE A 20 5.397 2.813 8.109 1.00 0.00 C ATOM 254 C ILE A 20 6.289 4.038 7.899 1.00 0.00 C ATOM 255 O ILE A 20 7.451 4.041 8.300 1.00 0.00 O ATOM 256 CB ILE A 20 5.361 2.320 9.557 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.226 1.315 9.766 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.275 3.494 10.534 1.00 0.00 C ATOM 259 CD1 ILE A 20 2.869 1.950 9.461 1.00 0.00 C ATOM 0 H ILE A 20 6.708 1.304 7.481 1.00 0.00 H new ATOM 0 HA ILE A 20 4.377 3.116 7.874 1.00 0.00 H new ATOM 0 HB ILE A 20 6.295 1.798 9.763 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.379 0.449 9.122 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.240 0.954 10.794 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.251 3.116 11.556 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.145 4.138 10.406 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.368 4.066 10.337 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.080 1.215 9.617 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.708 2.801 10.123 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.850 2.288 8.425 1.00 0.00 H new ATOM 271 N LEU A 21 5.709 5.051 7.270 1.00 0.00 N ATOM 272 CA LEU A 21 6.437 6.280 7.002 1.00 0.00 C ATOM 273 C LEU A 21 6.101 7.312 8.080 1.00 0.00 C ATOM 274 O LEU A 21 4.933 7.621 8.306 1.00 0.00 O ATOM 275 CB LEU A 21 6.159 6.766 5.578 1.00 0.00 C ATOM 276 CG LEU A 21 6.478 5.775 4.457 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.779 5.023 4.743 1.00 0.00 C ATOM 278 CD2 LEU A 21 5.306 4.822 4.217 1.00 0.00 C ATOM 0 H LEU A 21 4.744 5.045 6.939 1.00 0.00 H new ATOM 0 HA LEU A 21 7.512 6.105 7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.106 7.038 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.735 7.675 5.407 1.00 0.00 H new ATOM 0 HG LEU A 21 6.628 6.339 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.982 4.325 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.600 5.735 4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.683 4.472 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.559 4.128 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.099 4.262 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.423 5.395 3.935 1.00 0.00 H new ATOM 290 N HIS A 22 7.148 7.816 8.718 1.00 0.00 N ATOM 291 CA HIS A 22 6.979 8.806 9.767 1.00 0.00 C ATOM 292 C HIS A 22 7.170 10.208 9.185 1.00 0.00 C ATOM 293 O HIS A 22 8.297 10.633 8.936 1.00 0.00 O ATOM 294 CB HIS A 22 7.917 8.519 10.941 1.00 0.00 C ATOM 295 CG HIS A 22 8.041 7.054 11.284 1.00 0.00 C ATOM 296 ND1 HIS A 22 7.257 6.440 12.246 1.00 0.00 N ATOM 297 CD2 HIS A 22 8.864 6.088 10.784 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.602 5.162 12.313 1.00 0.00 C ATOM 299 NE2 HIS A 22 8.598 4.946 11.407 1.00 0.00 N ATOM 0 H HIS A 22 8.116 7.557 8.528 1.00 0.00 H new ATOM 0 HA HIS A 22 5.966 8.750 10.165 1.00 0.00 H new ATOM 0 HB2 HIS A 22 8.906 8.912 10.707 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.560 9.058 11.818 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.606 6.228 10.012 1.00 0.00 H new ATOM 0 HE1 HIS A 22 7.170 4.422 12.970 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.062 4.054 11.236 1.00 0.00 H new ATOM 307 N LYS A 23 6.051 10.889 8.985 1.00 0.00 N ATOM 308 CA LYS A 23 6.080 12.234 8.437 1.00 0.00 C ATOM 309 C LYS A 23 5.325 13.179 9.374 1.00 0.00 C ATOM 310 O LYS A 23 4.799 12.751 10.400 1.00 0.00 O ATOM 311 CB LYS A 23 5.551 12.239 7.001 1.00 0.00 C ATOM 312 CG LYS A 23 4.022 12.293 6.981 1.00 0.00 C ATOM 313 CD LYS A 23 3.452 11.294 5.971 1.00 0.00 C ATOM 314 CE LYS A 23 2.156 10.669 6.491 1.00 0.00 C ATOM 315 NZ LYS A 23 1.355 11.672 7.227 1.00 0.00 N ATOM 0 H LYS A 23 5.118 10.534 9.193 1.00 0.00 H new ATOM 0 HA LYS A 23 7.106 12.598 8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.956 13.096 6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.894 11.345 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.634 12.072 7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.693 13.301 6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.262 11.798 5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.185 10.511 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.576 10.273 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.388 9.829 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.423 11.272 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.846 11.930 8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.233 12.520 6.637 1.00 0.00 H new ATOM 329 N GLU A 24 5.296 14.446 8.988 1.00 0.00 N ATOM 330 CA GLU A 24 4.615 15.455 9.781 1.00 0.00 C ATOM 331 C GLU A 24 3.217 15.719 9.216 1.00 0.00 C ATOM 332 O GLU A 24 2.887 15.256 8.125 1.00 0.00 O ATOM 333 CB GLU A 24 5.433 16.746 9.846 1.00 0.00 C ATOM 334 CG GLU A 24 6.574 16.621 10.857 1.00 0.00 C ATOM 335 CD GLU A 24 6.940 17.987 11.443 1.00 0.00 C ATOM 336 OE1 GLU A 24 6.045 18.592 12.072 1.00 0.00 O ATOM 337 OE2 GLU A 24 8.105 18.394 11.248 1.00 0.00 O ATOM 0 H GLU A 24 5.733 14.797 8.136 1.00 0.00 H new ATOM 0 HA GLU A 24 4.510 15.079 10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.839 16.974 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.785 17.578 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.281 15.944 11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.447 16.183 10.373 1.00 0.00 H new ATOM 344 N GLU A 25 2.434 16.462 9.984 1.00 0.00 N ATOM 345 CA GLU A 25 1.080 16.793 9.574 1.00 0.00 C ATOM 346 C GLU A 25 1.100 17.569 8.255 1.00 0.00 C ATOM 347 O GLU A 25 1.399 18.762 8.237 1.00 0.00 O ATOM 348 CB GLU A 25 0.355 17.584 10.664 1.00 0.00 C ATOM 349 CG GLU A 25 -0.562 16.674 11.484 1.00 0.00 C ATOM 350 CD GLU A 25 -1.335 17.476 12.533 1.00 0.00 C ATOM 351 OE1 GLU A 25 -2.188 18.286 12.113 1.00 0.00 O ATOM 352 OE2 GLU A 25 -1.054 17.260 13.732 1.00 0.00 O ATOM 0 H GLU A 25 2.711 16.844 10.888 1.00 0.00 H new ATOM 0 HA GLU A 25 0.531 15.864 9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.085 18.058 11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.231 18.383 10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.262 16.165 10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.030 15.902 11.975 1.00 0.00 H new ATOM 359 N GLY A 26 0.778 16.860 7.184 1.00 0.00 N ATOM 360 CA GLY A 26 0.754 17.466 5.864 1.00 0.00 C ATOM 361 C GLY A 26 2.165 17.560 5.278 1.00 0.00 C ATOM 362 O GLY A 26 2.493 18.526 4.590 1.00 0.00 O ATOM 0 H GLY A 26 0.531 15.870 7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.120 16.878 5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.315 18.462 5.925 1.00 0.00 H new ATOM 366 N ALA A 27 2.962 16.544 5.573 1.00 0.00 N ATOM 367 CA ALA A 27 4.330 16.499 5.084 1.00 0.00 C ATOM 368 C ALA A 27 4.369 15.737 3.758 1.00 0.00 C ATOM 369 O ALA A 27 5.176 16.047 2.884 1.00 0.00 O ATOM 370 CB ALA A 27 5.231 15.867 6.147 1.00 0.00 C ATOM 0 H ALA A 27 2.687 15.745 6.145 1.00 0.00 H new ATOM 0 HA ALA A 27 4.704 17.506 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.257 15.833 5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.191 16.463 7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.888 14.854 6.360 1.00 0.00 H new ATOM 376 N GLY A 28 3.486 14.754 3.651 1.00 0.00 N ATOM 377 CA GLY A 28 3.410 13.945 2.447 1.00 0.00 C ATOM 378 C GLY A 28 4.112 12.600 2.644 1.00 0.00 C ATOM 379 O GLY A 28 4.868 12.425 3.598 1.00 0.00 O ATOM 0 H GLY A 28 2.818 14.500 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.366 13.779 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.869 14.480 1.616 1.00 0.00 H new ATOM 383 N LEU A 29 3.837 11.685 1.726 1.00 0.00 N ATOM 384 CA LEU A 29 4.433 10.362 1.787 1.00 0.00 C ATOM 385 C LEU A 29 5.742 10.359 0.995 1.00 0.00 C ATOM 386 O LEU A 29 6.763 9.870 1.476 1.00 0.00 O ATOM 387 CB LEU A 29 3.432 9.301 1.324 1.00 0.00 C ATOM 388 CG LEU A 29 1.953 9.654 1.496 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.057 8.521 0.994 1.00 0.00 C ATOM 390 CD2 LEU A 29 1.645 10.029 2.947 1.00 0.00 C ATOM 0 H LEU A 29 3.209 11.834 0.936 1.00 0.00 H new ATOM 0 HA LEU A 29 4.682 10.104 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.615 9.093 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.631 8.379 1.870 1.00 0.00 H new ATOM 0 HG LEU A 29 1.737 10.530 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.011 8.798 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.253 8.343 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.267 7.613 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.588 10.276 3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.882 9.188 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.246 10.891 3.235 1.00 0.00 H new ATOM 402 N GLY A 30 5.670 10.912 -0.207 1.00 0.00 N ATOM 403 CA GLY A 30 6.837 10.980 -1.071 1.00 0.00 C ATOM 404 C GLY A 30 6.547 10.351 -2.435 1.00 0.00 C ATOM 405 O GLY A 30 7.407 10.340 -3.313 1.00 0.00 O ATOM 0 H GLY A 30 4.822 11.317 -0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.136 12.020 -1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.674 10.464 -0.599 1.00 0.00 H new ATOM 409 N PHE A 31 5.331 9.842 -2.569 1.00 0.00 N ATOM 410 CA PHE A 31 4.916 9.212 -3.811 1.00 0.00 C ATOM 411 C PHE A 31 3.465 9.561 -4.145 1.00 0.00 C ATOM 412 O PHE A 31 2.791 10.238 -3.370 1.00 0.00 O ATOM 413 CB PHE A 31 5.031 7.700 -3.606 1.00 0.00 C ATOM 414 CG PHE A 31 3.914 7.102 -2.749 1.00 0.00 C ATOM 415 CD1 PHE A 31 3.903 7.310 -1.405 1.00 0.00 C ATOM 416 CD2 PHE A 31 2.932 6.362 -3.330 1.00 0.00 C ATOM 417 CE1 PHE A 31 2.866 6.755 -0.609 1.00 0.00 C ATOM 418 CE2 PHE A 31 1.896 5.807 -2.534 1.00 0.00 C ATOM 419 CZ PHE A 31 1.885 6.015 -1.190 1.00 0.00 C ATOM 0 H PHE A 31 4.620 9.853 -1.838 1.00 0.00 H new ATOM 0 HA PHE A 31 5.543 9.560 -4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.030 7.210 -4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.991 7.479 -3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.683 7.897 -0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.940 6.197 -4.397 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.857 6.921 0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.116 5.219 -2.996 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.097 5.592 -0.584 1.00 0.00 H new ATOM 429 N SER A 32 3.025 9.082 -5.300 1.00 0.00 N ATOM 430 CA SER A 32 1.666 9.335 -5.746 1.00 0.00 C ATOM 431 C SER A 32 0.988 8.019 -6.130 1.00 0.00 C ATOM 432 O SER A 32 1.632 6.972 -6.167 1.00 0.00 O ATOM 433 CB SER A 32 1.645 10.307 -6.927 1.00 0.00 C ATOM 434 OG SER A 32 0.405 10.271 -7.627 1.00 0.00 O ATOM 0 H SER A 32 3.586 8.520 -5.940 1.00 0.00 H new ATOM 0 HA SER A 32 1.117 9.793 -4.924 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.828 11.319 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.456 10.061 -7.613 1.00 0.00 H new ATOM 0 HG SER A 32 0.432 10.907 -8.372 1.00 0.00 H new ATOM 440 N LEU A 33 -0.305 8.114 -6.407 1.00 0.00 N ATOM 441 CA LEU A 33 -1.077 6.944 -6.787 1.00 0.00 C ATOM 442 C LEU A 33 -1.241 6.918 -8.308 1.00 0.00 C ATOM 443 O LEU A 33 -1.126 7.951 -8.966 1.00 0.00 O ATOM 444 CB LEU A 33 -2.404 6.907 -6.025 1.00 0.00 C ATOM 445 CG LEU A 33 -2.300 6.884 -4.499 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.529 6.219 -3.876 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.998 6.219 -4.048 1.00 0.00 C ATOM 0 H LEU A 33 -0.837 8.984 -6.376 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.549 6.032 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.992 7.777 -6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.960 6.025 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.276 7.914 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.430 6.216 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.424 6.774 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.610 5.193 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.949 6.216 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.967 5.193 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.149 6.773 -4.448 1.00 0.00 H new ATOM 459 N ALA A 34 -1.506 5.726 -8.822 1.00 0.00 N ATOM 460 CA ALA A 34 -1.686 5.552 -10.254 1.00 0.00 C ATOM 461 C ALA A 34 -2.804 4.537 -10.503 1.00 0.00 C ATOM 462 O ALA A 34 -3.027 3.641 -9.690 1.00 0.00 O ATOM 463 CB ALA A 34 -0.360 5.126 -10.887 1.00 0.00 C ATOM 0 H ALA A 34 -1.600 4.871 -8.273 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.983 6.491 -10.721 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.495 4.995 -11.961 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.393 5.894 -10.706 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.032 4.185 -10.445 1.00 0.00 H new ATOM 469 N GLY A 35 -3.478 4.712 -11.630 1.00 0.00 N ATOM 470 CA GLY A 35 -4.567 3.823 -11.997 1.00 0.00 C ATOM 471 C GLY A 35 -5.857 4.208 -11.270 1.00 0.00 C ATOM 472 O GLY A 35 -5.855 5.102 -10.425 1.00 0.00 O ATOM 0 H GLY A 35 -3.291 5.457 -12.301 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.727 3.863 -13.075 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.300 2.795 -11.752 1.00 0.00 H new ATOM 476 N GLY A 36 -6.929 3.515 -11.625 1.00 0.00 N ATOM 477 CA GLY A 36 -8.223 3.773 -11.017 1.00 0.00 C ATOM 478 C GLY A 36 -9.248 2.718 -11.440 1.00 0.00 C ATOM 479 O GLY A 36 -8.927 1.806 -12.201 1.00 0.00 O ATOM 0 H GLY A 36 -6.928 2.775 -12.327 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.125 3.775 -9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.574 4.763 -11.307 1.00 0.00 H new ATOM 483 N ALA A 37 -10.459 2.877 -10.928 1.00 0.00 N ATOM 484 CA ALA A 37 -11.532 1.950 -11.243 1.00 0.00 C ATOM 485 C ALA A 37 -12.073 2.258 -12.641 1.00 0.00 C ATOM 486 O ALA A 37 -12.357 1.346 -13.416 1.00 0.00 O ATOM 487 CB ALA A 37 -12.616 2.038 -10.166 1.00 0.00 C ATOM 0 H ALA A 37 -10.721 3.634 -10.297 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.163 0.925 -11.251 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.421 1.342 -10.402 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.188 1.782 -9.197 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.012 3.053 -10.131 1.00 0.00 H new ATOM 493 N ASP A 38 -12.200 3.547 -12.920 1.00 0.00 N ATOM 494 CA ASP A 38 -12.702 3.987 -14.211 1.00 0.00 C ATOM 495 C ASP A 38 -11.631 3.749 -15.278 1.00 0.00 C ATOM 496 O ASP A 38 -11.945 3.627 -16.461 1.00 0.00 O ATOM 497 CB ASP A 38 -13.028 5.482 -14.194 1.00 0.00 C ATOM 498 CG ASP A 38 -13.434 6.070 -15.547 1.00 0.00 C ATOM 499 OD1 ASP A 38 -14.630 5.940 -15.886 1.00 0.00 O ATOM 500 OD2 ASP A 38 -12.540 6.636 -16.212 1.00 0.00 O ATOM 0 H ASP A 38 -11.964 4.301 -12.274 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.608 3.422 -14.431 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.836 5.654 -13.483 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.157 6.024 -13.825 1.00 0.00 H new ATOM 505 N LEU A 39 -10.389 3.689 -14.821 1.00 0.00 N ATOM 506 CA LEU A 39 -9.270 3.468 -15.721 1.00 0.00 C ATOM 507 C LEU A 39 -9.146 1.971 -16.015 1.00 0.00 C ATOM 508 O LEU A 39 -10.021 1.188 -15.647 1.00 0.00 O ATOM 509 CB LEU A 39 -7.993 4.091 -15.153 1.00 0.00 C ATOM 510 CG LEU A 39 -7.981 5.617 -15.049 1.00 0.00 C ATOM 511 CD1 LEU A 39 -9.164 6.120 -14.220 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.643 6.118 -14.502 1.00 0.00 C ATOM 0 H LEU A 39 -10.133 3.790 -13.839 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.443 3.968 -16.674 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.821 3.677 -14.159 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.153 3.782 -15.776 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.094 6.029 -16.052 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.131 7.208 -14.162 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.097 5.810 -14.691 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.108 5.701 -13.215 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.661 7.206 -14.438 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.476 5.699 -13.510 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.838 5.807 -15.168 1.00 0.00 H new ATOM 524 N GLU A 40 -8.052 1.619 -16.674 1.00 0.00 N ATOM 525 CA GLU A 40 -7.803 0.230 -17.021 1.00 0.00 C ATOM 526 C GLU A 40 -7.212 -0.518 -15.824 1.00 0.00 C ATOM 527 O GLU A 40 -7.431 -1.718 -15.668 1.00 0.00 O ATOM 528 CB GLU A 40 -6.884 0.126 -18.240 1.00 0.00 C ATOM 529 CG GLU A 40 -7.636 0.481 -19.525 1.00 0.00 C ATOM 530 CD GLU A 40 -7.008 -0.210 -20.737 1.00 0.00 C ATOM 531 OE1 GLU A 40 -6.797 -1.438 -20.643 1.00 0.00 O ATOM 532 OE2 GLU A 40 -6.754 0.505 -21.730 1.00 0.00 O ATOM 0 H GLU A 40 -7.328 2.271 -16.977 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.753 -0.235 -17.283 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.032 0.795 -18.116 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.486 -0.886 -18.315 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.681 0.183 -19.433 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.624 1.561 -19.671 1.00 0.00 H new ATOM 539 N ASN A 41 -6.474 0.222 -15.010 1.00 0.00 N ATOM 540 CA ASN A 41 -5.850 -0.356 -13.832 1.00 0.00 C ATOM 541 C ASN A 41 -6.830 -0.296 -12.659 1.00 0.00 C ATOM 542 O ASN A 41 -6.829 0.667 -11.893 1.00 0.00 O ATOM 543 CB ASN A 41 -4.592 0.421 -13.438 1.00 0.00 C ATOM 544 CG ASN A 41 -3.471 0.203 -14.456 1.00 0.00 C ATOM 545 OD1 ASN A 41 -3.231 -0.897 -14.927 1.00 0.00 O ATOM 546 ND2 ASN A 41 -2.801 1.308 -14.767 1.00 0.00 N ATOM 0 H ASN A 41 -6.294 1.217 -15.143 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.580 -1.386 -14.065 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.824 1.484 -13.369 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.258 0.103 -12.450 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.033 1.267 -15.437 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.054 2.197 -14.335 1.00 0.00 H new ATOM 553 N LYS A 42 -7.644 -1.337 -12.555 1.00 0.00 N ATOM 554 CA LYS A 42 -8.627 -1.414 -11.488 1.00 0.00 C ATOM 555 C LYS A 42 -7.932 -1.198 -10.143 1.00 0.00 C ATOM 556 O LYS A 42 -8.436 -0.471 -9.289 1.00 0.00 O ATOM 557 CB LYS A 42 -9.408 -2.727 -11.573 1.00 0.00 C ATOM 558 CG LYS A 42 -10.391 -2.706 -12.746 1.00 0.00 C ATOM 559 CD LYS A 42 -11.596 -1.816 -12.435 1.00 0.00 C ATOM 560 CE LYS A 42 -12.560 -1.765 -13.621 1.00 0.00 C ATOM 561 NZ LYS A 42 -13.110 -3.110 -13.901 1.00 0.00 N ATOM 0 H LYS A 42 -7.643 -2.134 -13.192 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.368 -0.622 -11.595 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.715 -3.560 -11.690 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.951 -2.892 -10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.887 -2.342 -13.641 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.729 -3.720 -12.960 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.116 -2.196 -11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.256 -0.809 -12.194 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.373 -1.071 -13.407 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.042 -1.387 -14.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.937 -3.024 -14.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.384 -3.692 -14.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.395 -3.561 -13.008 1.00 0.00 H new ATOM 575 N VAL A 43 -6.784 -1.844 -9.995 1.00 0.00 N ATOM 576 CA VAL A 43 -6.014 -1.731 -8.768 1.00 0.00 C ATOM 577 C VAL A 43 -5.006 -0.589 -8.907 1.00 0.00 C ATOM 578 O VAL A 43 -4.162 -0.606 -9.802 1.00 0.00 O ATOM 579 CB VAL A 43 -5.357 -3.073 -8.438 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.394 -3.499 -9.548 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.644 -3.016 -7.086 1.00 0.00 C ATOM 0 H VAL A 43 -6.369 -2.447 -10.705 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.665 -1.488 -7.928 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.144 -3.824 -8.370 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.940 -4.456 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.941 -3.599 -10.486 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.614 -2.746 -9.661 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.186 -3.982 -6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.872 -2.247 -7.114 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.365 -2.778 -6.304 1.00 0.00 H new ATOM 591 N ILE A 44 -5.126 0.377 -8.008 1.00 0.00 N ATOM 592 CA ILE A 44 -4.235 1.524 -8.018 1.00 0.00 C ATOM 593 C ILE A 44 -2.804 1.057 -7.744 1.00 0.00 C ATOM 594 O ILE A 44 -2.592 0.096 -7.006 1.00 0.00 O ATOM 595 CB ILE A 44 -4.729 2.595 -7.044 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.886 3.395 -7.648 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.580 3.500 -6.594 1.00 0.00 C ATOM 598 CD1 ILE A 44 -7.122 2.514 -7.836 1.00 0.00 C ATOM 0 H ILE A 44 -5.827 0.389 -7.268 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.234 1.996 -9.001 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.113 2.096 -6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.130 4.236 -6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.582 3.812 -8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.959 4.252 -5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.818 2.900 -6.096 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.143 3.993 -7.463 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.929 3.107 -8.266 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.882 1.688 -8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.437 2.119 -6.870 1.00 0.00 H new ATOM 610 N THR A 45 -1.860 1.758 -8.353 1.00 0.00 N ATOM 611 CA THR A 45 -0.455 1.427 -8.184 1.00 0.00 C ATOM 612 C THR A 45 0.361 2.691 -7.905 1.00 0.00 C ATOM 613 O THR A 45 -0.158 3.802 -7.998 1.00 0.00 O ATOM 614 CB THR A 45 0.005 0.669 -9.431 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.662 1.328 -10.504 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.534 -0.762 -9.479 1.00 0.00 C ATOM 0 H THR A 45 -2.040 2.554 -8.965 1.00 0.00 H new ATOM 0 HA THR A 45 -0.302 0.782 -7.319 1.00 0.00 H new ATOM 0 HB THR A 45 1.094 0.647 -9.461 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.419 0.901 -11.352 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.178 -1.255 -10.384 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.185 -1.312 -8.605 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.624 -0.740 -9.483 1.00 0.00 H new ATOM 624 N VAL A 46 1.625 2.478 -7.569 1.00 0.00 N ATOM 625 CA VAL A 46 2.518 3.586 -7.276 1.00 0.00 C ATOM 626 C VAL A 46 2.922 4.270 -8.583 1.00 0.00 C ATOM 627 O VAL A 46 3.779 3.770 -9.310 1.00 0.00 O ATOM 628 CB VAL A 46 3.717 3.091 -6.464 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.635 4.253 -6.078 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.260 2.319 -5.225 1.00 0.00 C ATOM 0 H VAL A 46 2.052 1.555 -7.493 1.00 0.00 H new ATOM 0 HA VAL A 46 2.013 4.332 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 46 4.287 2.407 -7.093 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.479 3.874 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.002 4.742 -6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.079 4.972 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.132 1.979 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.655 2.970 -4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.667 1.458 -5.531 1.00 0.00 H new ATOM 640 N HIS A 47 2.285 5.402 -8.844 1.00 0.00 N ATOM 641 CA HIS A 47 2.567 6.159 -10.051 1.00 0.00 C ATOM 642 C HIS A 47 4.055 6.513 -10.099 1.00 0.00 C ATOM 643 O HIS A 47 4.765 6.106 -11.017 1.00 0.00 O ATOM 644 CB HIS A 47 1.661 7.388 -10.146 1.00 0.00 C ATOM 645 CG HIS A 47 1.732 8.103 -11.474 1.00 0.00 C ATOM 646 ND1 HIS A 47 2.801 8.581 -12.173 1.00 0.00 N flip ATOM 647 CD2 HIS A 47 0.609 8.394 -12.230 1.00 0.00 C flip ATOM 648 CE1 HIS A 47 2.356 9.133 -13.295 1.00 0.00 C flip ATOM 649 NE2 HIS A 47 0.997 9.019 -13.332 1.00 0.00 N flip ATOM 0 H HIS A 47 1.574 5.813 -8.239 1.00 0.00 H new ATOM 0 HA HIS A 47 2.346 5.549 -10.927 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.631 7.082 -9.965 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.930 8.087 -9.354 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.410 8.153 -11.966 1.00 0.00 H new ATOM 0 HE1 HIS A 47 2.969 9.596 -14.054 1.00 0.00 H new ATOM 0 HE2 HIS A 47 0.387 9.356 -14.077 1.00 0.00 H new ATOM 657 N ARG A 48 4.483 7.268 -9.097 1.00 0.00 N ATOM 658 CA ARG A 48 5.873 7.682 -9.013 1.00 0.00 C ATOM 659 C ARG A 48 6.299 7.817 -7.550 1.00 0.00 C ATOM 660 O ARG A 48 5.463 8.030 -6.673 1.00 0.00 O ATOM 661 CB ARG A 48 6.094 9.018 -9.727 1.00 0.00 C ATOM 662 CG ARG A 48 7.025 8.849 -10.929 1.00 0.00 C ATOM 663 CD ARG A 48 6.226 8.754 -12.231 1.00 0.00 C ATOM 664 NE ARG A 48 7.140 8.834 -13.392 1.00 0.00 N ATOM 665 CZ ARG A 48 6.732 8.944 -14.664 1.00 0.00 C ATOM 666 NH1 ARG A 48 5.423 8.988 -14.945 1.00 0.00 N ATOM 667 NH2 ARG A 48 7.633 9.010 -15.654 1.00 0.00 N ATOM 0 H ARG A 48 3.891 7.603 -8.337 1.00 0.00 H new ATOM 0 HA ARG A 48 6.477 6.917 -9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.137 9.421 -10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.520 9.740 -9.031 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.714 9.692 -10.981 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.629 7.951 -10.802 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.670 7.817 -12.259 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.494 9.560 -12.278 1.00 0.00 H new ATOM 0 HE ARG A 48 8.144 8.804 -13.213 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.738 8.938 -14.191 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.112 9.072 -15.913 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.630 8.977 -15.440 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.322 9.094 -16.622 1.00 0.00 H new ATOM 681 N VAL A 49 7.599 7.686 -7.332 1.00 0.00 N ATOM 682 CA VAL A 49 8.147 7.791 -5.990 1.00 0.00 C ATOM 683 C VAL A 49 9.204 8.896 -5.959 1.00 0.00 C ATOM 684 O VAL A 49 10.361 8.664 -6.307 1.00 0.00 O ATOM 685 CB VAL A 49 8.689 6.433 -5.539 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.017 6.442 -4.044 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.706 5.310 -5.877 1.00 0.00 C ATOM 0 H VAL A 49 8.289 7.508 -8.062 1.00 0.00 H new ATOM 0 HA VAL A 49 7.367 8.068 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 49 9.614 6.244 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.400 5.465 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.770 7.203 -3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.114 6.664 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.116 4.356 -5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.757 5.492 -5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.544 5.281 -6.954 1.00 0.00 H new ATOM 697 N PHE A 50 8.769 10.075 -5.540 1.00 0.00 N ATOM 698 CA PHE A 50 9.663 11.218 -5.459 1.00 0.00 C ATOM 699 C PHE A 50 11.052 10.794 -4.975 1.00 0.00 C ATOM 700 O PHE A 50 11.191 9.788 -4.281 1.00 0.00 O ATOM 701 CB PHE A 50 9.057 12.190 -4.445 1.00 0.00 C ATOM 702 CG PHE A 50 7.610 12.583 -4.748 1.00 0.00 C ATOM 703 CD1 PHE A 50 7.066 12.292 -5.960 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.868 13.224 -3.806 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.723 12.657 -6.242 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.525 13.589 -4.087 1.00 0.00 C ATOM 707 CZ PHE A 50 4.981 13.298 -5.299 1.00 0.00 C ATOM 0 H PHE A 50 7.809 10.264 -5.253 1.00 0.00 H new ATOM 0 HA PHE A 50 9.774 11.674 -6.443 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.100 11.739 -3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.668 13.092 -4.411 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.656 11.783 -6.708 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.300 13.456 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.291 12.426 -7.204 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.936 14.098 -3.338 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.960 13.576 -5.513 1.00 0.00 H new ATOM 717 N PRO A 51 12.070 11.604 -5.371 1.00 0.00 N ATOM 718 CA PRO A 51 13.442 11.323 -4.985 1.00 0.00 C ATOM 719 C PRO A 51 13.683 11.680 -3.516 1.00 0.00 C ATOM 720 O PRO A 51 14.541 11.088 -2.863 1.00 0.00 O ATOM 721 CB PRO A 51 14.295 12.140 -5.942 1.00 0.00 C ATOM 722 CG PRO A 51 13.373 13.201 -6.520 1.00 0.00 C ATOM 723 CD PRO A 51 11.943 12.804 -6.193 1.00 0.00 C ATOM 0 HA PRO A 51 13.690 10.264 -5.056 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.138 12.596 -5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.709 11.511 -6.730 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.604 14.179 -6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.510 13.280 -7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.424 13.598 -5.656 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.370 12.605 -7.099 1.00 0.00 H new ATOM 731 N ASN A 52 12.910 12.645 -3.041 1.00 0.00 N ATOM 732 CA ASN A 52 13.028 13.088 -1.662 1.00 0.00 C ATOM 733 C ASN A 52 11.716 12.808 -0.927 1.00 0.00 C ATOM 734 O ASN A 52 10.847 13.675 -0.850 1.00 0.00 O ATOM 735 CB ASN A 52 13.301 14.591 -1.587 1.00 0.00 C ATOM 736 CG ASN A 52 12.263 15.377 -2.392 1.00 0.00 C ATOM 737 OD1 ASN A 52 12.444 15.320 -3.708 1.00 0.00 O flip ATOM 738 ND2 ASN A 52 11.359 15.994 -1.853 1.00 0.00 N flip ATOM 0 H ASN A 52 12.199 13.133 -3.586 1.00 0.00 H new ATOM 0 HA ASN A 52 13.857 12.548 -1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.282 14.916 -0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.300 14.803 -1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.278 15.996 -0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.684 16.508 -2.419 1.00 0.00 H new ATOM 745 N GLY A 53 11.614 11.594 -0.406 1.00 0.00 N ATOM 746 CA GLY A 53 10.422 11.190 0.321 1.00 0.00 C ATOM 747 C GLY A 53 10.718 10.007 1.244 1.00 0.00 C ATOM 748 O GLY A 53 11.879 9.674 1.481 1.00 0.00 O ATOM 0 H GLY A 53 12.337 10.877 -0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.048 12.029 0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.636 10.918 -0.384 1.00 0.00 H new ATOM 752 N LEU A 54 9.649 9.403 1.742 1.00 0.00 N ATOM 753 CA LEU A 54 9.779 8.264 2.634 1.00 0.00 C ATOM 754 C LEU A 54 9.731 6.972 1.816 1.00 0.00 C ATOM 755 O LEU A 54 10.578 6.096 1.982 1.00 0.00 O ATOM 756 CB LEU A 54 8.727 8.329 3.744 1.00 0.00 C ATOM 757 CG LEU A 54 8.610 9.666 4.479 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.155 9.966 4.843 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.526 9.700 5.704 1.00 0.00 C ATOM 0 H LEU A 54 8.688 9.682 1.544 1.00 0.00 H new ATOM 0 HA LEU A 54 10.744 8.285 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.756 8.088 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.951 7.553 4.476 1.00 0.00 H new ATOM 0 HG LEU A 54 8.943 10.456 3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.100 10.922 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.555 10.013 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.772 9.177 5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.424 10.661 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.247 8.899 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.560 9.564 5.389 1.00 0.00 H new ATOM 771 N ALA A 55 8.731 6.895 0.950 1.00 0.00 N ATOM 772 CA ALA A 55 8.561 5.725 0.106 1.00 0.00 C ATOM 773 C ALA A 55 9.901 5.369 -0.541 1.00 0.00 C ATOM 774 O ALA A 55 10.229 4.193 -0.690 1.00 0.00 O ATOM 775 CB ALA A 55 7.468 5.997 -0.930 1.00 0.00 C ATOM 0 H ALA A 55 8.030 7.624 0.815 1.00 0.00 H new ATOM 0 HA ALA A 55 8.243 4.867 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.340 5.119 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.530 6.216 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.754 6.850 -1.545 1.00 0.00 H new ATOM 781 N SER A 56 10.640 6.406 -0.906 1.00 0.00 N ATOM 782 CA SER A 56 11.937 6.218 -1.533 1.00 0.00 C ATOM 783 C SER A 56 12.959 5.757 -0.492 1.00 0.00 C ATOM 784 O SER A 56 13.852 4.969 -0.800 1.00 0.00 O ATOM 785 CB SER A 56 12.413 7.504 -2.212 1.00 0.00 C ATOM 786 OG SER A 56 12.733 7.296 -3.585 1.00 0.00 O ATOM 0 H SER A 56 10.365 7.380 -0.779 1.00 0.00 H new ATOM 0 HA SER A 56 11.838 5.450 -2.300 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.637 8.265 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.290 7.887 -1.689 1.00 0.00 H new ATOM 0 HG SER A 56 12.321 8.001 -4.127 1.00 0.00 H new ATOM 792 N GLN A 57 12.794 6.269 0.719 1.00 0.00 N ATOM 793 CA GLN A 57 13.692 5.920 1.807 1.00 0.00 C ATOM 794 C GLN A 57 13.493 4.458 2.211 1.00 0.00 C ATOM 795 O GLN A 57 14.462 3.717 2.371 1.00 0.00 O ATOM 796 CB GLN A 57 13.490 6.852 3.004 1.00 0.00 C ATOM 797 CG GLN A 57 14.410 8.071 2.911 1.00 0.00 C ATOM 798 CD GLN A 57 15.121 8.324 4.242 1.00 0.00 C ATOM 799 OE1 GLN A 57 14.542 8.804 5.203 1.00 0.00 O ATOM 800 NE2 GLN A 57 16.405 7.976 4.244 1.00 0.00 N ATOM 0 H GLN A 57 12.052 6.922 0.971 1.00 0.00 H new ATOM 0 HA GLN A 57 14.718 6.044 1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.451 7.178 3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.690 6.311 3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.148 7.915 2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.828 8.950 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.827 7.579 3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.967 8.106 5.085 1.00 0.00 H new ATOM 809 N GLU A 58 12.231 4.086 2.364 1.00 0.00 N ATOM 810 CA GLU A 58 11.893 2.725 2.746 1.00 0.00 C ATOM 811 C GLU A 58 12.283 1.749 1.634 1.00 0.00 C ATOM 812 O GLU A 58 12.971 0.761 1.884 1.00 0.00 O ATOM 813 CB GLU A 58 10.406 2.604 3.085 1.00 0.00 C ATOM 814 CG GLU A 58 10.208 2.203 4.548 1.00 0.00 C ATOM 815 CD GLU A 58 10.861 0.851 4.839 1.00 0.00 C ATOM 816 OE1 GLU A 58 10.215 -0.172 4.524 1.00 0.00 O ATOM 817 OE2 GLU A 58 11.993 0.870 5.370 1.00 0.00 O ATOM 0 H GLU A 58 11.430 4.703 2.230 1.00 0.00 H new ATOM 0 HA GLU A 58 12.458 2.469 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.907 3.554 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.940 1.863 2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.636 2.965 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.143 2.153 4.774 1.00 0.00 H new ATOM 824 N GLY A 59 11.826 2.061 0.430 1.00 0.00 N ATOM 825 CA GLY A 59 12.119 1.223 -0.721 1.00 0.00 C ATOM 826 C GLY A 59 10.987 0.225 -0.975 1.00 0.00 C ATOM 827 O GLY A 59 10.976 -0.459 -1.997 1.00 0.00 O ATOM 0 H GLY A 59 11.255 2.882 0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.263 1.847 -1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.053 0.685 -0.556 1.00 0.00 H new ATOM 831 N THR A 60 10.063 0.173 -0.027 1.00 0.00 N ATOM 832 CA THR A 60 8.930 -0.730 -0.135 1.00 0.00 C ATOM 833 C THR A 60 8.004 -0.290 -1.270 1.00 0.00 C ATOM 834 O THR A 60 7.622 -1.099 -2.114 1.00 0.00 O ATOM 835 CB THR A 60 8.237 -0.784 1.228 1.00 0.00 C ATOM 836 OG1 THR A 60 9.312 -0.839 2.162 1.00 0.00 O ATOM 837 CG2 THR A 60 7.483 -2.097 1.450 1.00 0.00 C ATOM 0 H THR A 60 10.076 0.742 0.820 1.00 0.00 H new ATOM 0 HA THR A 60 9.252 -1.739 -0.393 1.00 0.00 H new ATOM 0 HB THR A 60 7.543 0.052 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.992 -0.560 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.010 -2.083 2.432 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.720 -2.213 0.681 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.182 -2.932 1.396 1.00 0.00 H new ATOM 845 N ILE A 61 7.668 0.992 -1.254 1.00 0.00 N ATOM 846 CA ILE A 61 6.794 1.550 -2.272 1.00 0.00 C ATOM 847 C ILE A 61 7.630 1.972 -3.481 1.00 0.00 C ATOM 848 O ILE A 61 8.157 3.083 -3.518 1.00 0.00 O ATOM 849 CB ILE A 61 5.943 2.679 -1.687 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.386 2.292 -0.316 1.00 0.00 C ATOM 851 CG2 ILE A 61 4.837 3.093 -2.660 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.841 3.518 0.420 1.00 0.00 C ATOM 0 H ILE A 61 7.986 1.660 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 61 6.087 0.798 -2.621 1.00 0.00 H new ATOM 0 HB ILE A 61 6.584 3.548 -1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.593 1.554 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.169 1.824 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.247 3.897 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.283 3.439 -3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.192 2.238 -2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.451 3.215 1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.642 4.244 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.041 3.969 -0.167 1.00 0.00 H new ATOM 864 N GLN A 62 7.727 1.064 -4.441 1.00 0.00 N ATOM 865 CA GLN A 62 8.490 1.329 -5.648 1.00 0.00 C ATOM 866 C GLN A 62 7.554 1.457 -6.851 1.00 0.00 C ATOM 867 O GLN A 62 6.774 0.549 -7.136 1.00 0.00 O ATOM 868 CB GLN A 62 9.539 0.239 -5.884 1.00 0.00 C ATOM 869 CG GLN A 62 10.726 0.406 -4.934 1.00 0.00 C ATOM 870 CD GLN A 62 11.695 -0.772 -5.054 1.00 0.00 C ATOM 871 OE1 GLN A 62 12.646 -0.752 -5.818 1.00 0.00 O ATOM 872 NE2 GLN A 62 11.400 -1.798 -4.260 1.00 0.00 N ATOM 0 H GLN A 62 7.289 0.143 -4.407 1.00 0.00 H new ATOM 0 HA GLN A 62 9.017 2.274 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.088 -0.743 -5.739 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.886 0.281 -6.916 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.249 1.336 -5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.367 0.483 -3.908 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.588 -1.749 -3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.985 -2.633 -4.267 1.00 0.00 H new ATOM 881 N LYS A 63 7.660 2.593 -7.525 1.00 0.00 N ATOM 882 CA LYS A 63 6.832 2.853 -8.690 1.00 0.00 C ATOM 883 C LYS A 63 6.711 1.573 -9.519 1.00 0.00 C ATOM 884 O LYS A 63 7.688 1.117 -10.111 1.00 0.00 O ATOM 885 CB LYS A 63 7.375 4.047 -9.478 1.00 0.00 C ATOM 886 CG LYS A 63 7.109 3.882 -10.976 1.00 0.00 C ATOM 887 CD LYS A 63 7.716 5.040 -11.771 1.00 0.00 C ATOM 888 CE LYS A 63 9.125 4.692 -12.256 1.00 0.00 C ATOM 889 NZ LYS A 63 9.065 3.952 -13.536 1.00 0.00 N ATOM 0 H LYS A 63 8.307 3.344 -7.286 1.00 0.00 H new ATOM 0 HA LYS A 63 5.824 3.134 -8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.909 4.965 -9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.447 4.145 -9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.530 2.938 -11.322 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.035 3.836 -11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.080 5.272 -12.625 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.752 5.934 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.708 5.604 -12.384 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.636 4.090 -11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.030 3.724 -13.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.527 3.072 -13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.596 4.539 -14.255 1.00 0.00 H new ATOM 903 N GLY A 64 5.503 1.029 -9.536 1.00 0.00 N ATOM 904 CA GLY A 64 5.241 -0.190 -10.282 1.00 0.00 C ATOM 905 C GLY A 64 4.670 -1.279 -9.372 1.00 0.00 C ATOM 906 O GLY A 64 4.151 -2.285 -9.852 1.00 0.00 O ATOM 0 H GLY A 64 4.694 1.410 -9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.540 0.018 -11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.163 -0.543 -10.743 1.00 0.00 H new ATOM 910 N ASN A 65 4.786 -1.040 -8.073 1.00 0.00 N ATOM 911 CA ASN A 65 4.288 -1.988 -7.091 1.00 0.00 C ATOM 912 C ASN A 65 2.759 -2.001 -7.130 1.00 0.00 C ATOM 913 O ASN A 65 2.152 -1.425 -8.033 1.00 0.00 O ATOM 914 CB ASN A 65 4.722 -1.596 -5.677 1.00 0.00 C ATOM 915 CG ASN A 65 5.680 -2.633 -5.090 1.00 0.00 C ATOM 916 OD1 ASN A 65 5.600 -3.004 -3.930 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.589 -3.079 -5.952 1.00 0.00 N ATOM 0 H ASN A 65 5.217 -0.204 -7.679 1.00 0.00 H new ATOM 0 HA ASN A 65 4.695 -2.970 -7.334 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.206 -0.620 -5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.845 -1.502 -5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.275 -3.774 -5.656 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.600 -2.727 -6.909 1.00 0.00 H new ATOM 924 N GLU A 66 2.179 -2.664 -6.141 1.00 0.00 N ATOM 925 CA GLU A 66 0.732 -2.759 -6.051 1.00 0.00 C ATOM 926 C GLU A 66 0.236 -2.106 -4.759 1.00 0.00 C ATOM 927 O GLU A 66 0.630 -2.509 -3.665 1.00 0.00 O ATOM 928 CB GLU A 66 0.271 -4.216 -6.140 1.00 0.00 C ATOM 929 CG GLU A 66 -1.140 -4.381 -5.572 1.00 0.00 C ATOM 930 CD GLU A 66 -1.994 -5.271 -6.477 1.00 0.00 C ATOM 931 OE1 GLU A 66 -1.751 -5.234 -7.702 1.00 0.00 O ATOM 932 OE2 GLU A 66 -2.871 -5.968 -5.922 1.00 0.00 O ATOM 0 H GLU A 66 2.685 -3.141 -5.395 1.00 0.00 H new ATOM 0 HA GLU A 66 0.300 -2.223 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.289 -4.544 -7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.964 -4.854 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.086 -4.816 -4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.611 -3.403 -5.468 1.00 0.00 H new ATOM 939 N VAL A 67 -0.621 -1.110 -4.928 1.00 0.00 N ATOM 940 CA VAL A 67 -1.174 -0.397 -3.789 1.00 0.00 C ATOM 941 C VAL A 67 -2.482 -1.066 -3.361 1.00 0.00 C ATOM 942 O VAL A 67 -3.550 -0.732 -3.872 1.00 0.00 O ATOM 943 CB VAL A 67 -1.344 1.084 -4.131 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.898 1.863 -2.936 1.00 0.00 C ATOM 945 CG2 VAL A 67 -0.026 1.690 -4.617 1.00 0.00 C ATOM 0 H VAL A 67 -0.946 -0.780 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.491 -0.444 -2.940 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.067 1.159 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.009 2.913 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.869 1.456 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.211 1.776 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.175 2.744 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.728 1.597 -3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.310 1.162 -5.509 1.00 0.00 H new ATOM 955 N LEU A 68 -2.355 -1.999 -2.429 1.00 0.00 N ATOM 956 CA LEU A 68 -3.514 -2.717 -1.927 1.00 0.00 C ATOM 957 C LEU A 68 -4.418 -1.748 -1.162 1.00 0.00 C ATOM 958 O LEU A 68 -5.628 -1.720 -1.379 1.00 0.00 O ATOM 959 CB LEU A 68 -3.077 -3.930 -1.103 1.00 0.00 C ATOM 960 CG LEU A 68 -2.161 -4.928 -1.813 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.095 -5.470 -0.858 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.972 -6.051 -2.462 1.00 0.00 C ATOM 0 H LEU A 68 -1.467 -2.274 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.102 -3.116 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.567 -3.572 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.970 -4.459 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.640 -4.403 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.457 -6.177 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.489 -4.645 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.579 -5.974 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.297 -6.747 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.538 -6.581 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.660 -5.627 -3.193 1.00 0.00 H new ATOM 974 N SER A 69 -3.795 -0.977 -0.283 1.00 0.00 N ATOM 975 CA SER A 69 -4.528 -0.009 0.515 1.00 0.00 C ATOM 976 C SER A 69 -3.659 1.224 0.772 1.00 0.00 C ATOM 977 O SER A 69 -2.466 1.220 0.470 1.00 0.00 O ATOM 978 CB SER A 69 -4.986 -0.621 1.841 1.00 0.00 C ATOM 979 OG SER A 69 -3.895 -0.845 2.730 1.00 0.00 O ATOM 0 H SER A 69 -2.791 -1.003 -0.106 1.00 0.00 H new ATOM 0 HA SER A 69 -5.416 0.290 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.710 0.041 2.315 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.496 -1.565 1.648 1.00 0.00 H new ATOM 0 HG SER A 69 -4.228 -1.235 3.565 1.00 0.00 H new ATOM 985 N ILE A 70 -4.289 2.249 1.326 1.00 0.00 N ATOM 986 CA ILE A 70 -3.588 3.485 1.627 1.00 0.00 C ATOM 987 C ILE A 70 -4.088 4.038 2.962 1.00 0.00 C ATOM 988 O ILE A 70 -5.280 4.299 3.123 1.00 0.00 O ATOM 989 CB ILE A 70 -3.719 4.472 0.465 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.665 4.196 -0.610 1.00 0.00 C ATOM 991 CG2 ILE A 70 -3.665 5.917 0.963 1.00 0.00 C ATOM 992 CD1 ILE A 70 -1.435 5.084 -0.413 1.00 0.00 C ATOM 0 H ILE A 70 -5.278 2.249 1.574 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.520 3.299 1.739 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.696 4.328 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.370 3.147 -0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.092 4.374 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.760 6.597 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.482 6.091 1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.714 6.094 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.702 4.868 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.729 6.132 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.996 4.886 0.565 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.153 4.202 3.887 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.484 4.720 5.203 1.00 0.00 C ATOM 1006 C ASN A 71 -4.325 3.686 5.956 1.00 0.00 C ATOM 1007 O ASN A 71 -4.860 3.976 7.025 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.302 6.008 5.099 1.00 0.00 C ATOM 1009 CG ASN A 71 -3.892 7.007 6.182 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -2.590 7.278 6.204 1.00 0.00 O flip ATOM 1011 ND2 ASN A 71 -4.704 7.500 6.948 1.00 0.00 N flip ATOM 0 H ASN A 71 -2.166 3.985 3.750 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.551 4.927 5.728 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.160 6.455 4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.363 5.778 5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.690 7.249 6.877 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.397 8.163 7.659 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.414 2.502 5.369 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.180 1.424 5.971 1.00 0.00 C ATOM 1020 C GLY A 72 -6.554 1.292 5.310 1.00 0.00 C ATOM 1021 O GLY A 72 -7.403 0.536 5.780 1.00 0.00 O ATOM 0 H GLY A 72 -3.968 2.265 4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.634 0.486 5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.302 1.612 7.038 1.00 0.00 H new ATOM 1025 N LYS A 73 -6.729 2.038 4.229 1.00 0.00 N ATOM 1026 CA LYS A 73 -7.985 2.014 3.498 1.00 0.00 C ATOM 1027 C LYS A 73 -7.798 1.228 2.199 1.00 0.00 C ATOM 1028 O LYS A 73 -6.970 1.590 1.364 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.510 3.435 3.288 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.406 3.511 2.050 1.00 0.00 C ATOM 1031 CD LYS A 73 -9.840 4.952 1.775 1.00 0.00 C ATOM 1032 CE LYS A 73 -11.186 5.255 2.436 1.00 0.00 C ATOM 1033 NZ LYS A 73 -10.984 5.942 3.731 1.00 0.00 N ATOM 0 H LYS A 73 -6.022 2.663 3.842 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.753 1.499 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.071 3.753 4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.672 4.124 3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.872 3.117 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.286 2.884 2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.083 5.641 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.914 5.114 0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.789 5.879 1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.738 4.328 2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.735 5.662 4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.059 5.676 4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.016 6.971 3.587 1.00 0.00 H new ATOM 1047 N SER A 74 -8.582 0.168 2.067 1.00 0.00 N ATOM 1048 CA SER A 74 -8.514 -0.671 0.883 1.00 0.00 C ATOM 1049 C SER A 74 -9.301 -0.028 -0.260 1.00 0.00 C ATOM 1050 O SER A 74 -10.263 0.701 -0.024 1.00 0.00 O ATOM 1051 CB SER A 74 -9.050 -2.075 1.172 1.00 0.00 C ATOM 1052 OG SER A 74 -9.033 -2.377 2.564 1.00 0.00 O ATOM 0 H SER A 74 -9.268 -0.129 2.761 1.00 0.00 H new ATOM 0 HA SER A 74 -7.469 -0.763 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.069 -2.158 0.795 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.451 -2.810 0.634 1.00 0.00 H new ATOM 0 HG SER A 74 -9.384 -3.281 2.707 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.862 -0.320 -1.476 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.514 0.220 -2.657 1.00 0.00 C ATOM 1060 C LEU A 75 -10.657 -0.707 -3.074 1.00 0.00 C ATOM 1061 O LEU A 75 -10.419 -1.787 -3.612 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.490 0.471 -3.766 1.00 0.00 C ATOM 1063 CG LEU A 75 -7.112 0.956 -3.309 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -6.047 0.654 -4.366 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -7.147 2.440 -2.939 1.00 0.00 C ATOM 0 H LEU A 75 -8.063 -0.924 -1.669 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.957 1.191 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.360 -0.453 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.903 1.208 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.838 0.407 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.077 1.009 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.000 -0.421 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.305 1.159 -5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.155 2.758 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.452 3.024 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.858 2.596 -2.128 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.872 -0.252 -2.809 1.00 0.00 N ATOM 1078 CA LYS A 76 -13.053 -1.028 -3.150 1.00 0.00 C ATOM 1079 C LYS A 76 -13.483 -0.692 -4.579 1.00 0.00 C ATOM 1080 O LYS A 76 -14.589 -1.036 -4.995 1.00 0.00 O ATOM 1081 CB LYS A 76 -14.154 -0.814 -2.109 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.422 0.677 -1.894 1.00 0.00 C ATOM 1083 CD LYS A 76 -13.699 1.190 -0.647 1.00 0.00 C ATOM 1084 CE LYS A 76 -14.698 1.652 0.415 1.00 0.00 C ATOM 1085 NZ LYS A 76 -13.993 2.306 1.541 1.00 0.00 N ATOM 0 H LYS A 76 -12.065 0.644 -2.362 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.828 -2.094 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.069 -1.308 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.862 -1.275 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.091 1.239 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.494 0.847 -1.793 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.067 0.401 -0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.042 2.017 -0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.412 2.347 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.268 0.799 0.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.686 2.613 2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.329 1.632 1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.468 3.132 1.189 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.588 -0.023 -5.291 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.862 0.363 -6.664 1.00 0.00 C ATOM 1101 C GLY A 77 -12.876 1.886 -6.813 1.00 0.00 C ATOM 1102 O GLY A 77 -13.533 2.420 -7.705 1.00 0.00 O ATOM 0 H GLY A 77 -11.673 0.261 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.106 -0.064 -7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.823 -0.045 -6.975 1.00 0.00 H new ATOM 1106 N THR A 78 -12.143 2.542 -5.926 1.00 0.00 N ATOM 1107 CA THR A 78 -12.063 3.993 -5.947 1.00 0.00 C ATOM 1108 C THR A 78 -11.573 4.480 -7.312 1.00 0.00 C ATOM 1109 O THR A 78 -10.738 3.834 -7.943 1.00 0.00 O ATOM 1110 CB THR A 78 -11.167 4.434 -4.788 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.184 3.324 -3.894 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.780 5.576 -3.975 1.00 0.00 C ATOM 0 H THR A 78 -11.599 2.096 -5.188 1.00 0.00 H new ATOM 0 HA THR A 78 -13.045 4.445 -5.808 1.00 0.00 H new ATOM 0 HB THR A 78 -10.198 4.745 -5.177 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.626 3.524 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.104 5.850 -3.165 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.940 6.438 -4.622 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.734 5.254 -3.557 1.00 0.00 H new ATOM 1120 N THR A 79 -12.114 5.616 -7.728 1.00 0.00 N ATOM 1121 CA THR A 79 -11.743 6.197 -9.007 1.00 0.00 C ATOM 1122 C THR A 79 -10.346 6.815 -8.927 1.00 0.00 C ATOM 1123 O THR A 79 -9.795 6.973 -7.838 1.00 0.00 O ATOM 1124 CB THR A 79 -12.829 7.200 -9.403 1.00 0.00 C ATOM 1125 OG1 THR A 79 -13.129 7.884 -8.190 1.00 0.00 O ATOM 1126 CG2 THR A 79 -14.145 6.518 -9.783 1.00 0.00 C ATOM 0 H THR A 79 -12.806 6.149 -7.202 1.00 0.00 H new ATOM 0 HA THR A 79 -11.683 5.436 -9.785 1.00 0.00 H new ATOM 0 HB THR A 79 -12.478 7.803 -10.240 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.824 8.555 -8.356 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.881 7.274 -10.055 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.978 5.852 -10.630 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.514 5.941 -8.935 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.813 7.147 -10.093 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.490 7.744 -10.169 1.00 0.00 C ATOM 1136 C HIS A 80 -8.455 9.023 -9.329 1.00 0.00 C ATOM 1137 O HIS A 80 -7.396 9.429 -8.853 1.00 0.00 O ATOM 1138 CB HIS A 80 -8.083 7.980 -11.624 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.643 8.402 -11.799 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.589 7.507 -11.759 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -6.096 9.633 -12.014 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.462 8.179 -11.943 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.778 9.496 -12.100 1.00 0.00 N ATOM 0 H HIS A 80 -10.273 7.014 -10.994 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.753 7.057 -9.753 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.254 7.065 -12.191 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.730 8.746 -12.052 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.666 6.501 -11.613 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.642 10.561 -12.100 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.468 7.758 -11.965 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.627 9.622 -9.173 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.744 10.846 -8.399 1.00 0.00 C ATOM 1153 C HIS A 81 -9.962 10.502 -6.925 1.00 0.00 C ATOM 1154 O HIS A 81 -9.147 10.857 -6.074 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.844 11.745 -8.967 1.00 0.00 C ATOM 1156 CG HIS A 81 -10.959 13.085 -8.280 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -10.348 13.567 -7.160 1.00 0.00 N flip ATOM 1158 CD2 HIS A 81 -11.781 14.097 -8.744 1.00 0.00 C flip ATOM 1159 CE1 HIS A 81 -10.773 14.807 -6.951 1.00 0.00 C flip ATOM 1160 NE2 HIS A 81 -11.662 15.137 -7.932 1.00 0.00 N flip ATOM 0 H HIS A 81 -10.503 9.282 -9.569 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.817 11.415 -8.470 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.654 11.907 -10.028 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.799 11.226 -8.890 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -12.412 14.047 -9.619 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.466 15.449 -6.139 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -12.150 16.028 -8.024 1.00 0.00 H new ATOM 1168 N ASP A 82 -11.065 9.816 -6.667 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.401 9.420 -5.310 1.00 0.00 C ATOM 1170 C ASP A 82 -10.164 8.821 -4.637 1.00 0.00 C ATOM 1171 O ASP A 82 -10.042 8.852 -3.414 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.503 8.359 -5.302 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.921 8.898 -5.496 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -14.057 10.140 -5.523 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.838 8.056 -5.613 1.00 0.00 O ATOM 0 H ASP A 82 -11.738 9.524 -7.375 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.749 10.305 -4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.295 7.635 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.461 7.821 -4.355 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.277 8.291 -5.466 1.00 0.00 N ATOM 1181 CA ALA A 83 -8.054 7.686 -4.967 1.00 0.00 C ATOM 1182 C ALA A 83 -7.037 8.786 -4.656 1.00 0.00 C ATOM 1183 O ALA A 83 -6.505 8.849 -3.548 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.527 6.678 -5.991 1.00 0.00 C ATOM 0 H ALA A 83 -9.381 8.268 -6.480 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.245 7.141 -4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.609 6.224 -5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.274 5.902 -6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.321 7.189 -6.932 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.797 9.625 -5.652 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.853 10.719 -5.499 1.00 0.00 C ATOM 1192 C LEU A 84 -6.124 11.440 -4.177 1.00 0.00 C ATOM 1193 O LEU A 84 -5.225 11.588 -3.351 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.895 11.639 -6.721 1.00 0.00 C ATOM 1195 CG LEU A 84 -5.096 11.173 -7.939 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -4.723 9.694 -7.818 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -5.852 11.469 -9.236 1.00 0.00 C ATOM 0 H LEU A 84 -7.240 9.569 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.833 10.337 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.935 11.765 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.527 12.621 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.164 11.738 -7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.156 9.389 -8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.117 9.544 -6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.631 9.095 -7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.262 11.128 -10.087 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.809 10.948 -9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.024 12.542 -9.320 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.368 11.868 -4.018 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.769 12.569 -2.810 1.00 0.00 C ATOM 1211 C ALA A 85 -7.441 11.705 -1.591 1.00 0.00 C ATOM 1212 O ALA A 85 -6.782 12.164 -0.660 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.257 12.919 -2.893 1.00 0.00 C ATOM 0 H ALA A 85 -8.111 11.743 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.219 13.504 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.558 13.445 -1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.433 13.558 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.841 12.004 -2.993 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.917 10.469 -1.636 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.682 9.537 -0.546 1.00 0.00 C ATOM 1221 C ILE A 86 -6.206 9.584 -0.150 1.00 0.00 C ATOM 1222 O ILE A 86 -5.875 9.528 1.034 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.174 8.138 -0.923 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.517 7.831 -0.259 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.118 7.080 -0.598 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.558 7.405 -1.297 1.00 0.00 C ATOM 0 H ILE A 86 -8.464 10.092 -2.410 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.257 9.826 0.334 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.335 8.112 -2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.389 7.039 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.872 8.712 0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.493 6.095 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.206 7.292 -1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.901 7.098 0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.504 7.193 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.701 8.208 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.211 6.510 -1.814 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.357 9.686 -1.162 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.923 9.741 -0.934 1.00 0.00 C ATOM 1240 C LEU A 87 -3.568 11.072 -0.268 1.00 0.00 C ATOM 1241 O LEU A 87 -2.666 11.132 0.567 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.163 9.483 -2.236 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.716 9.980 -2.278 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.663 11.501 -2.429 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -0.935 9.497 -1.054 1.00 0.00 C ATOM 0 H LEU A 87 -5.635 9.732 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.615 8.950 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.163 8.410 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.711 9.952 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.233 9.553 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.624 11.828 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.159 11.792 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.168 11.968 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.090 9.864 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.408 9.875 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.930 8.407 -1.033 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.295 12.107 -0.662 1.00 0.00 N ATOM 1258 CA ARG A 88 -4.068 13.434 -0.114 1.00 0.00 C ATOM 1259 C ARG A 88 -4.567 13.504 1.331 1.00 0.00 C ATOM 1260 O ARG A 88 -4.279 14.463 2.045 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.781 14.502 -0.945 1.00 0.00 C ATOM 1262 CG ARG A 88 -4.261 14.516 -2.384 1.00 0.00 C ATOM 1263 CD ARG A 88 -5.200 15.303 -3.299 1.00 0.00 C ATOM 1264 NE ARG A 88 -4.418 16.027 -4.326 1.00 0.00 N ATOM 1265 CZ ARG A 88 -4.962 16.704 -5.346 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -6.294 16.752 -5.483 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -4.175 17.331 -6.231 1.00 0.00 N ATOM 0 H ARG A 88 -5.042 12.054 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.995 13.625 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.854 14.312 -0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.631 15.481 -0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.266 14.960 -2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.164 13.494 -2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.906 14.625 -3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.786 16.010 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.401 16.009 -4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.893 16.273 -4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.709 17.267 -6.259 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.161 17.293 -6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.590 17.846 -7.007 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.307 12.475 1.718 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.848 12.408 3.065 1.00 0.00 C ATOM 1283 C GLN A 89 -4.901 11.629 3.979 1.00 0.00 C ATOM 1284 O GLN A 89 -4.851 11.877 5.183 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.245 11.784 3.063 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.257 12.705 2.378 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.654 12.525 2.974 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.824 12.229 4.145 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.642 12.720 2.105 1.00 0.00 N ATOM 0 H GLN A 89 -5.544 11.682 1.123 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.939 13.423 3.450 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.217 10.823 2.549 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.561 11.589 4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.942 13.743 2.488 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.283 12.491 1.309 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.430 12.966 1.138 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.612 12.624 2.405 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.173 10.703 3.373 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.230 9.886 4.119 1.00 0.00 C ATOM 1300 C ALA A 90 -2.011 10.733 4.490 1.00 0.00 C ATOM 1301 O ALA A 90 -1.148 10.288 5.246 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.854 8.656 3.290 1.00 0.00 C ATOM 0 H ALA A 90 -4.217 10.500 2.374 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.679 9.530 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.147 8.043 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.750 8.073 3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.397 8.975 2.353 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.979 11.939 3.943 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.880 12.852 4.207 1.00 0.00 C ATOM 1310 C ARG A 91 -1.264 13.839 5.311 1.00 0.00 C ATOM 1311 O ARG A 91 -0.431 14.618 5.770 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.496 13.631 2.948 1.00 0.00 C ATOM 1313 CG ARG A 91 -1.377 14.870 2.779 1.00 0.00 C ATOM 1314 CD ARG A 91 -1.439 15.304 1.313 1.00 0.00 C ATOM 1315 NE ARG A 91 -1.059 16.729 1.190 1.00 0.00 N ATOM 1316 CZ ARG A 91 -1.843 17.750 1.563 1.00 0.00 C ATOM 1317 NH1 ARG A 91 -3.054 17.510 2.084 1.00 0.00 N ATOM 1318 NH2 ARG A 91 -1.415 19.011 1.414 1.00 0.00 N ATOM 0 H ARG A 91 -2.697 12.305 3.318 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.025 12.257 4.527 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.551 13.930 3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.596 12.988 2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.383 14.658 3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.984 15.685 3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.769 14.687 0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.445 15.153 0.923 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.144 16.948 0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.379 16.550 2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.650 18.287 2.368 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.493 19.193 1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.011 19.789 1.698 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.527 13.773 5.706 1.00 0.00 N ATOM 1333 CA GLU A 92 -3.032 14.652 6.748 1.00 0.00 C ATOM 1334 C GLU A 92 -2.369 14.322 8.087 1.00 0.00 C ATOM 1335 O GLU A 92 -1.977 15.223 8.828 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.556 14.558 6.853 1.00 0.00 C ATOM 1337 CG GLU A 92 -5.214 14.781 5.490 1.00 0.00 C ATOM 1338 CD GLU A 92 -6.670 14.312 5.501 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -6.925 13.268 6.140 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -7.495 15.007 4.870 1.00 0.00 O ATOM 0 H GLU A 92 -3.216 13.125 5.324 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.781 15.679 6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.838 13.579 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.922 15.300 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.171 15.839 5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.660 14.241 4.722 1.00 0.00 H new ATOM 1347 N PRO A 93 -2.261 12.995 8.364 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.653 12.536 9.601 1.00 0.00 C ATOM 1349 C PRO A 93 -0.131 12.684 9.551 1.00 0.00 C ATOM 1350 O PRO A 93 0.398 13.418 8.717 1.00 0.00 O ATOM 1351 CB PRO A 93 -2.104 11.092 9.749 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.562 10.654 8.367 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.714 11.901 7.511 1.00 0.00 C ATOM 0 HA PRO A 93 -1.960 13.126 10.465 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.289 10.463 10.108 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.914 11.008 10.474 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.837 9.972 7.923 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.508 10.117 8.431 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.115 11.833 6.603 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.749 12.044 7.200 1.00 0.00 H new ATOM 1361 N ARG A 94 0.531 11.977 10.455 1.00 0.00 N ATOM 1362 CA ARG A 94 1.981 12.020 10.525 1.00 0.00 C ATOM 1363 C ARG A 94 2.574 10.673 10.109 1.00 0.00 C ATOM 1364 O ARG A 94 3.787 10.547 9.949 1.00 0.00 O ATOM 1365 CB ARG A 94 2.455 12.364 11.939 1.00 0.00 C ATOM 1366 CG ARG A 94 2.780 13.854 12.061 1.00 0.00 C ATOM 1367 CD ARG A 94 1.906 14.520 13.126 1.00 0.00 C ATOM 1368 NE ARG A 94 2.245 13.988 14.465 1.00 0.00 N ATOM 1369 CZ ARG A 94 3.270 14.424 15.209 1.00 0.00 C ATOM 1370 NH1 ARG A 94 4.063 15.402 14.750 1.00 0.00 N ATOM 1371 NH2 ARG A 94 3.503 13.882 16.412 1.00 0.00 N ATOM 0 H ARG A 94 0.089 11.371 11.146 1.00 0.00 H new ATOM 0 HA ARG A 94 2.322 12.797 9.841 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.683 12.096 12.660 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.338 11.774 12.184 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.832 13.981 12.317 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.625 14.344 11.100 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.054 15.600 13.107 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.853 14.339 12.910 1.00 0.00 H new ATOM 0 HE ARG A 94 1.662 13.243 14.845 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.886 15.814 13.834 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.843 15.734 15.317 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.900 13.137 16.761 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.284 14.214 16.978 1.00 0.00 H new ATOM 1385 N GLN A 95 1.690 9.699 9.946 1.00 0.00 N ATOM 1386 CA GLN A 95 2.111 8.365 9.553 1.00 0.00 C ATOM 1387 C GLN A 95 1.292 7.883 8.353 1.00 0.00 C ATOM 1388 O GLN A 95 0.106 8.190 8.242 1.00 0.00 O ATOM 1389 CB GLN A 95 1.997 7.386 10.723 1.00 0.00 C ATOM 1390 CG GLN A 95 2.808 6.117 10.457 1.00 0.00 C ATOM 1391 CD GLN A 95 2.463 5.023 11.470 1.00 0.00 C ATOM 1392 OE1 GLN A 95 1.389 4.307 11.148 1.00 0.00 O flip ATOM 1393 NE2 GLN A 95 3.127 4.841 12.477 1.00 0.00 N flip ATOM 0 H GLN A 95 0.685 9.807 10.079 1.00 0.00 H new ATOM 0 HA GLN A 95 3.160 8.408 9.260 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.351 7.863 11.637 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.951 7.126 10.884 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.608 5.759 9.447 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.873 6.344 10.510 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.941 5.427 12.664 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.869 4.103 13.132 1.00 0.00 H new ATOM 1402 N ALA A 96 1.959 7.136 7.484 1.00 0.00 N ATOM 1403 CA ALA A 96 1.308 6.609 6.297 1.00 0.00 C ATOM 1404 C ALA A 96 1.436 5.085 6.285 1.00 0.00 C ATOM 1405 O ALA A 96 2.529 4.549 6.464 1.00 0.00 O ATOM 1406 CB ALA A 96 1.917 7.256 5.051 1.00 0.00 C ATOM 0 H ALA A 96 2.943 6.884 7.579 1.00 0.00 H new ATOM 0 HA ALA A 96 0.245 6.850 6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.429 6.861 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.774 8.336 5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.983 7.033 5.009 1.00 0.00 H new ATOM 1412 N VAL A 97 0.305 4.429 6.071 1.00 0.00 N ATOM 1413 CA VAL A 97 0.277 2.977 6.033 1.00 0.00 C ATOM 1414 C VAL A 97 -0.053 2.514 4.613 1.00 0.00 C ATOM 1415 O VAL A 97 -1.173 2.701 4.140 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.705 2.444 7.079 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -1.350 1.139 6.610 1.00 0.00 C ATOM 1418 CG2 VAL A 97 -0.017 2.260 8.433 1.00 0.00 C ATOM 0 H VAL A 97 -0.599 4.877 5.922 1.00 0.00 H new ATOM 0 HA VAL A 97 1.255 2.570 6.288 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.496 3.183 7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.043 0.782 7.371 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.891 1.314 5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.576 0.390 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.737 1.880 9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.804 1.550 8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.373 3.218 8.776 1.00 0.00 H new ATOM 1428 N ILE A 98 0.943 1.920 3.972 1.00 0.00 N ATOM 1429 CA ILE A 98 0.772 1.429 2.615 1.00 0.00 C ATOM 1430 C ILE A 98 1.112 -0.062 2.569 1.00 0.00 C ATOM 1431 O ILE A 98 2.137 -0.485 3.101 1.00 0.00 O ATOM 1432 CB ILE A 98 1.585 2.275 1.633 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.325 3.767 1.849 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.315 1.849 0.188 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.375 4.378 2.778 1.00 0.00 C ATOM 0 H ILE A 98 1.871 1.768 4.367 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.267 1.529 2.303 1.00 0.00 H new ATOM 0 HB ILE A 98 2.643 2.101 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.338 4.285 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.331 3.909 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.905 2.466 -0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.591 0.802 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.256 1.975 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.167 5.439 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.343 3.875 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.365 4.256 2.338 1.00 0.00 H new ATOM 1447 N VAL A 99 0.231 -0.818 1.929 1.00 0.00 N ATOM 1448 CA VAL A 99 0.425 -2.252 1.808 1.00 0.00 C ATOM 1449 C VAL A 99 0.641 -2.611 0.336 1.00 0.00 C ATOM 1450 O VAL A 99 -0.268 -2.470 -0.481 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.756 -2.995 2.436 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.455 -4.490 2.569 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.127 -2.388 3.791 1.00 0.00 C ATOM 0 H VAL A 99 -0.618 -0.464 1.489 1.00 0.00 H new ATOM 0 HA VAL A 99 1.316 -2.564 2.353 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.614 -2.884 1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.310 -4.995 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.262 -4.911 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.422 -4.630 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.969 -2.934 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.273 -2.455 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.403 -1.342 3.658 1.00 0.00 H new ATOM 1463 N THR A 100 1.851 -3.066 0.043 1.00 0.00 N ATOM 1464 CA THR A 100 2.198 -3.445 -1.316 1.00 0.00 C ATOM 1465 C THR A 100 2.932 -4.788 -1.324 1.00 0.00 C ATOM 1466 O THR A 100 3.731 -5.067 -0.432 1.00 0.00 O ATOM 1467 CB THR A 100 3.010 -2.305 -1.933 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.156 -2.201 -1.093 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.317 -0.948 -1.788 1.00 0.00 C ATOM 0 H THR A 100 2.602 -3.181 0.723 1.00 0.00 H new ATOM 0 HA THR A 100 1.306 -3.594 -1.925 1.00 0.00 H new ATOM 0 HB THR A 100 3.184 -2.513 -2.989 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.739 -1.485 -1.422 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.935 -0.173 -2.242 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.349 -0.979 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.173 -0.724 -0.731 1.00 0.00 H new ATOM 1477 N ARG A 101 2.636 -5.582 -2.342 1.00 0.00 N ATOM 1478 CA ARG A 101 3.258 -6.888 -2.478 1.00 0.00 C ATOM 1479 C ARG A 101 4.143 -6.927 -3.726 1.00 0.00 C ATOM 1480 O ARG A 101 3.853 -6.261 -4.718 1.00 0.00 O ATOM 1481 CB ARG A 101 2.204 -7.993 -2.574 1.00 0.00 C ATOM 1482 CG ARG A 101 1.342 -7.821 -3.826 1.00 0.00 C ATOM 1483 CD ARG A 101 -0.138 -8.043 -3.507 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.753 -8.911 -4.537 1.00 0.00 N ATOM 1485 CZ ARG A 101 -0.851 -8.585 -5.833 1.00 0.00 C ATOM 1486 NH1 ARG A 101 -0.375 -7.410 -6.266 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -1.425 -9.435 -6.695 1.00 0.00 N ATOM 0 H ARG A 101 1.973 -5.346 -3.081 1.00 0.00 H new ATOM 0 HA ARG A 101 3.867 -7.059 -1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.694 -8.967 -2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.571 -7.975 -1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.484 -6.821 -4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.662 -8.527 -4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.242 -8.502 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.658 -7.086 -3.469 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.125 -9.813 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.062 -6.764 -5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.450 -7.162 -7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.787 -10.330 -6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.500 -9.188 -7.682 1.00 0.00 H new