USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 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 97 HIS : no HD1:sc= 0.45 K(o=0.83,f=-5!) USER MOD Set 1.2: A 99 SER OG : rot 95:sc= 0.375 USER MOD Set 2.1: A 50 ASN : amide:sc= 0.688 X(o=-1.2,f=-1.6) USER MOD Set 2.2: A 53 MET CE :methyl -171:sc= -0.0418 (180deg=-0.248) USER MOD Set 2.3: A 82 SER OG : rot 180:sc= 0.575 USER MOD Set 2.4: A 86 ASN : amide:sc= -2.44! C(o=-1.2!,f=-1.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 1.24 (180deg=0.828) USER MOD Single : A 29 TYR OH : rot 92:sc= 0.914 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 153:sc= -0.641 (180deg=-1.26) USER MOD Single : A 33 GLN : amide:sc= -0.0964 K(o=-0.096,f=-0.65) USER MOD Single : A 34 HIS : no HD1:sc= -0.0367 X(o=-0.037,f=0.0031) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.344 K(o=0.34,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0108) USER MOD Single : A 57 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.929 K(o=0.93,f=-6.4!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0179 F(o=-1.5!,f=-0.018) USER MOD Single : A 72 THR OG1 : rot 79:sc= 1.16 USER MOD Single : A 74 SER OG : rot 73:sc= 1.27 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -50:sc= 0.00941 USER MOD Single : A 102 GLN : amide:sc= -0.387 K(o=-0.39,f=-4.8!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0447 K(o=-0.045,f=-0.76) USER MOD Single : A 107 THR OG1 : rot 5:sc= 0.898 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 17 -1.534 9.126 13.587 1.00 0.00 N ATOM 198 CA LYS A 17 -2.122 8.151 12.669 1.00 0.00 C ATOM 199 C LYS A 17 -2.192 8.732 11.260 1.00 0.00 C ATOM 200 O LYS A 17 -1.593 8.171 10.348 1.00 0.00 O ATOM 201 CB LYS A 17 -3.513 7.796 13.213 1.00 0.00 C ATOM 202 CG LYS A 17 -4.305 6.751 12.415 1.00 0.00 C ATOM 203 CD LYS A 17 -5.445 6.149 13.256 1.00 0.00 C ATOM 204 CE LYS A 17 -6.365 7.223 13.854 1.00 0.00 C ATOM 205 NZ LYS A 17 -7.270 6.686 14.889 1.00 0.00 N ATOM 0 HA LYS A 17 -1.514 7.249 12.604 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.399 7.433 14.235 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.105 8.710 13.263 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.717 7.212 11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.635 5.957 12.086 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.035 5.476 12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.021 5.549 14.061 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.756 8.017 14.286 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.957 7.673 13.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.868 7.452 15.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.872 5.946 14.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.708 6.280 15.665 1.00 0.00 H new ATOM 219 N ALA A 18 -2.781 9.920 11.101 1.00 0.00 N ATOM 220 CA ALA A 18 -2.880 10.550 9.792 1.00 0.00 C ATOM 221 C ALA A 18 -1.488 10.833 9.227 1.00 0.00 C ATOM 222 O ALA A 18 -1.273 10.690 8.031 1.00 0.00 O ATOM 223 CB ALA A 18 -3.696 11.837 9.890 1.00 0.00 C ATOM 0 H ALA A 18 -3.194 10.459 11.862 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.389 9.868 9.112 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.764 12.300 8.906 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.698 11.606 10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.209 12.525 10.582 1.00 0.00 H new ATOM 229 N ALA A 19 -0.533 11.193 10.083 1.00 0.00 N ATOM 230 CA ALA A 19 0.839 11.466 9.713 1.00 0.00 C ATOM 231 C ALA A 19 1.544 10.243 9.158 1.00 0.00 C ATOM 232 O ALA A 19 2.293 10.392 8.200 1.00 0.00 O ATOM 233 CB ALA A 19 1.600 11.960 10.933 1.00 0.00 C ATOM 0 H ALA A 19 -0.707 11.304 11.082 1.00 0.00 H new ATOM 0 HA ALA A 19 0.820 12.224 8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.634 12.167 10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.135 12.872 11.307 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.577 11.196 11.710 1.00 0.00 H new ATOM 239 N GLY A 20 1.358 9.063 9.750 1.00 0.00 N ATOM 240 CA GLY A 20 2.019 7.858 9.271 1.00 0.00 C ATOM 241 C GLY A 20 1.398 7.389 7.966 1.00 0.00 C ATOM 242 O GLY A 20 2.089 6.823 7.120 1.00 0.00 O ATOM 0 H GLY A 20 0.755 8.920 10.560 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.081 8.053 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.940 7.071 10.021 1.00 0.00 H new ATOM 246 N GLU A 21 0.108 7.655 7.794 1.00 0.00 N ATOM 247 CA GLU A 21 -0.650 7.373 6.595 1.00 0.00 C ATOM 248 C GLU A 21 -0.128 8.295 5.479 1.00 0.00 C ATOM 249 O GLU A 21 0.283 7.795 4.435 1.00 0.00 O ATOM 250 CB GLU A 21 -2.149 7.531 6.910 1.00 0.00 C ATOM 251 CG GLU A 21 -2.850 6.299 7.540 1.00 0.00 C ATOM 252 CD GLU A 21 -2.324 5.707 8.870 1.00 0.00 C ATOM 253 OE1 GLU A 21 -1.111 5.434 9.020 1.00 0.00 O ATOM 254 OE2 GLU A 21 -3.158 5.343 9.730 1.00 0.00 O ATOM 0 H GLU A 21 -0.457 8.092 8.522 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.524 6.349 6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.270 8.377 7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.668 7.785 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.896 6.564 7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.830 5.500 6.799 1.00 0.00 H new ATOM 261 N VAL A 22 -0.030 9.609 5.725 1.00 0.00 N ATOM 262 CA VAL A 22 0.597 10.596 4.838 1.00 0.00 C ATOM 263 C VAL A 22 2.023 10.170 4.491 1.00 0.00 C ATOM 264 O VAL A 22 2.390 10.120 3.321 1.00 0.00 O ATOM 265 CB VAL A 22 0.576 11.996 5.501 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.493 13.036 4.832 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.840 12.577 5.497 1.00 0.00 C ATOM 0 H VAL A 22 -0.399 10.028 6.579 1.00 0.00 H new ATOM 0 HA VAL A 22 0.029 10.651 3.909 1.00 0.00 H new ATOM 0 HB VAL A 22 0.945 11.819 6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.414 13.985 5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.525 12.686 4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.190 13.174 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.831 13.560 5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.193 12.669 4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.506 11.916 6.051 1.00 0.00 H new ATOM 277 N LYS A 23 2.846 9.862 5.493 1.00 0.00 N ATOM 278 CA LYS A 23 4.232 9.475 5.296 1.00 0.00 C ATOM 279 C LYS A 23 4.316 8.212 4.439 1.00 0.00 C ATOM 280 O LYS A 23 5.216 8.103 3.610 1.00 0.00 O ATOM 281 CB LYS A 23 4.917 9.416 6.678 1.00 0.00 C ATOM 282 CG LYS A 23 6.287 8.727 6.711 1.00 0.00 C ATOM 283 CD LYS A 23 6.263 7.191 6.774 1.00 0.00 C ATOM 284 CE LYS A 23 7.705 6.708 6.920 1.00 0.00 C ATOM 285 NZ LYS A 23 7.895 5.320 6.453 1.00 0.00 N ATOM 0 H LYS A 23 2.561 9.876 6.472 1.00 0.00 H new ATOM 0 HA LYS A 23 4.792 10.210 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.034 10.434 7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.253 8.898 7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.845 9.027 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.839 9.099 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.659 6.852 7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.811 6.779 5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.363 7.369 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.002 6.778 7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.841 4.987 6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.174 4.707 6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.804 5.287 5.418 1.00 0.00 H new ATOM 299 N ALA A 24 3.406 7.248 4.607 1.00 0.00 N ATOM 300 CA ALA A 24 3.372 6.064 3.761 1.00 0.00 C ATOM 301 C ALA A 24 2.925 6.409 2.339 1.00 0.00 C ATOM 302 O ALA A 24 3.431 5.811 1.394 1.00 0.00 O ATOM 303 CB ALA A 24 2.465 4.999 4.375 1.00 0.00 C ATOM 0 H ALA A 24 2.683 7.270 5.326 1.00 0.00 H new ATOM 0 HA ALA A 24 4.384 5.663 3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.449 4.119 3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.843 4.722 5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.454 5.395 4.473 1.00 0.00 H new ATOM 309 N LEU A 25 2.005 7.362 2.161 1.00 0.00 N ATOM 310 CA LEU A 25 1.630 7.835 0.833 1.00 0.00 C ATOM 311 C LEU A 25 2.857 8.429 0.143 1.00 0.00 C ATOM 312 O LEU A 25 3.118 8.073 -1.005 1.00 0.00 O ATOM 313 CB LEU A 25 0.535 8.903 0.916 1.00 0.00 C ATOM 314 CG LEU A 25 0.032 9.339 -0.465 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.278 8.675 -0.869 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.192 10.832 -0.412 1.00 0.00 C ATOM 0 H LEU A 25 1.507 7.820 2.925 1.00 0.00 H new ATOM 0 HA LEU A 25 1.246 6.989 0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.302 8.516 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.920 9.772 1.450 1.00 0.00 H new ATOM 0 HG LEU A 25 0.779 9.045 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.576 9.029 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.145 7.594 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.052 8.927 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.552 11.181 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.932 11.062 0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.746 11.332 -0.172 1.00 0.00 H new ATOM 328 N ASP A 26 3.587 9.314 0.835 1.00 0.00 N ATOM 329 CA ASP A 26 4.804 9.956 0.336 1.00 0.00 C ATOM 330 C ASP A 26 5.766 8.883 -0.113 1.00 0.00 C ATOM 331 O ASP A 26 6.162 8.847 -1.274 1.00 0.00 O ATOM 332 CB ASP A 26 5.504 10.799 1.415 1.00 0.00 C ATOM 333 CG ASP A 26 6.528 11.773 0.825 1.00 0.00 C ATOM 334 OD1 ASP A 26 7.161 11.501 -0.213 1.00 0.00 O ATOM 335 OD2 ASP A 26 6.724 12.869 1.396 1.00 0.00 O ATOM 0 H ASP A 26 3.339 9.608 1.780 1.00 0.00 H new ATOM 0 HA ASP A 26 4.517 10.616 -0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.756 11.359 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.003 10.136 2.122 1.00 0.00 H new ATOM 340 N ASP A 27 6.090 7.980 0.817 1.00 0.00 N ATOM 341 CA ASP A 27 7.110 6.972 0.631 1.00 0.00 C ATOM 342 C ASP A 27 6.783 6.136 -0.604 1.00 0.00 C ATOM 343 O ASP A 27 7.663 5.846 -1.418 1.00 0.00 O ATOM 344 CB ASP A 27 7.217 6.035 1.846 1.00 0.00 C ATOM 345 CG ASP A 27 8.138 6.491 2.972 1.00 0.00 C ATOM 346 OD1 ASP A 27 8.556 7.665 3.041 1.00 0.00 O ATOM 347 OD2 ASP A 27 8.464 5.633 3.828 1.00 0.00 O ATOM 0 H ASP A 27 5.638 7.937 1.730 1.00 0.00 H new ATOM 0 HA ASP A 27 8.063 7.487 0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.218 5.893 2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.559 5.061 1.497 1.00 0.00 H new ATOM 352 N PHE A 28 5.505 5.767 -0.738 1.00 0.00 N ATOM 353 CA PHE A 28 4.993 5.036 -1.876 1.00 0.00 C ATOM 354 C PHE A 28 5.161 5.841 -3.159 1.00 0.00 C ATOM 355 O PHE A 28 5.716 5.322 -4.123 1.00 0.00 O ATOM 356 CB PHE A 28 3.532 4.640 -1.657 1.00 0.00 C ATOM 357 CG PHE A 28 2.951 3.892 -2.836 1.00 0.00 C ATOM 358 CD1 PHE A 28 2.485 4.603 -3.954 1.00 0.00 C ATOM 359 CD2 PHE A 28 2.926 2.487 -2.852 1.00 0.00 C ATOM 360 CE1 PHE A 28 1.974 3.917 -5.056 1.00 0.00 C ATOM 361 CE2 PHE A 28 2.428 1.808 -3.976 1.00 0.00 C ATOM 362 CZ PHE A 28 1.943 2.521 -5.082 1.00 0.00 C ATOM 0 H PHE A 28 4.793 5.978 -0.039 1.00 0.00 H new ATOM 0 HA PHE A 28 5.574 4.120 -1.980 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.457 4.019 -0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.940 5.536 -1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.522 5.682 -3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.289 1.930 -2.001 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.597 4.474 -5.901 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.418 0.728 -3.989 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.551 1.998 -5.942 1.00 0.00 H new ATOM 372 N TYR A 29 4.659 7.078 -3.213 1.00 0.00 N ATOM 373 CA TYR A 29 4.705 7.879 -4.433 1.00 0.00 C ATOM 374 C TYR A 29 6.120 8.153 -4.907 1.00 0.00 C ATOM 375 O TYR A 29 6.380 8.174 -6.110 1.00 0.00 O ATOM 376 CB TYR A 29 4.017 9.220 -4.206 1.00 0.00 C ATOM 377 CG TYR A 29 2.533 9.215 -4.439 1.00 0.00 C ATOM 378 CD1 TYR A 29 1.987 8.479 -5.505 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.720 10.049 -3.657 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.646 8.632 -5.839 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.377 10.265 -4.024 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.152 9.570 -5.141 1.00 0.00 C ATOM 383 OH TYR A 29 -1.402 9.865 -5.580 1.00 0.00 O ATOM 0 H TYR A 29 4.215 7.545 -2.422 1.00 0.00 H new ATOM 0 HA TYR A 29 4.193 7.296 -5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.209 9.542 -3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.471 9.961 -4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.609 7.795 -6.064 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.123 10.525 -2.775 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.214 8.036 -6.630 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.241 10.950 -3.463 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.051 9.277 -5.139 1.00 0.00 H new ATOM 393 N LYS A 30 7.026 8.337 -3.952 1.00 0.00 N ATOM 394 CA LYS A 30 8.461 8.386 -4.170 1.00 0.00 C ATOM 395 C LYS A 30 8.851 7.199 -5.048 1.00 0.00 C ATOM 396 O LYS A 30 9.349 7.406 -6.153 1.00 0.00 O ATOM 397 CB LYS A 30 9.180 8.403 -2.805 1.00 0.00 C ATOM 398 CG LYS A 30 10.191 9.549 -2.687 1.00 0.00 C ATOM 399 CD LYS A 30 10.829 9.631 -1.291 1.00 0.00 C ATOM 400 CE LYS A 30 9.785 10.002 -0.227 1.00 0.00 C ATOM 401 NZ LYS A 30 10.382 10.288 1.093 1.00 0.00 N ATOM 0 H LYS A 30 6.769 8.460 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 30 8.764 9.294 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.440 8.493 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.694 7.453 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.974 9.416 -3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.693 10.492 -2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.285 8.673 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.628 10.373 -1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.226 10.875 -0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.070 9.185 -0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.630 10.532 1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.893 9.448 1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.044 11.086 1.009 1.00 0.00 H new ATOM 415 N MET A 31 8.595 5.968 -4.604 1.00 0.00 N ATOM 416 CA MET A 31 8.888 4.777 -5.390 1.00 0.00 C ATOM 417 C MET A 31 8.092 4.753 -6.686 1.00 0.00 C ATOM 418 O MET A 31 8.647 4.347 -7.691 1.00 0.00 O ATOM 419 CB MET A 31 8.516 3.523 -4.619 1.00 0.00 C ATOM 420 CG MET A 31 9.189 3.385 -3.273 1.00 0.00 C ATOM 421 SD MET A 31 10.826 2.625 -3.260 1.00 0.00 S ATOM 422 CE MET A 31 10.419 1.415 -1.985 1.00 0.00 C ATOM 0 H MET A 31 8.180 5.773 -3.693 1.00 0.00 H new ATOM 0 HA MET A 31 9.956 4.804 -5.605 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.436 3.510 -4.473 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.766 2.653 -5.226 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.271 4.378 -2.830 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.537 2.800 -2.625 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.050 0.534 -2.104 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.588 1.852 -1.001 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.372 1.126 -2.078 1.00 0.00 H new ATOM 432 N LEU A 32 6.825 5.173 -6.700 1.00 0.00 N ATOM 433 CA LEU A 32 5.972 5.101 -7.883 1.00 0.00 C ATOM 434 C LEU A 32 6.617 5.811 -9.079 1.00 0.00 C ATOM 435 O LEU A 32 6.418 5.412 -10.224 1.00 0.00 O ATOM 436 CB LEU A 32 4.587 5.678 -7.550 1.00 0.00 C ATOM 437 CG LEU A 32 3.519 5.279 -8.579 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.157 3.806 -8.427 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.239 6.077 -8.347 1.00 0.00 C ATOM 0 H LEU A 32 6.362 5.575 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 32 5.850 4.057 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.282 5.333 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.652 6.765 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 32 3.928 5.476 -9.570 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.399 3.540 -9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.046 3.195 -8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.767 3.629 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.490 5.785 -9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.861 5.875 -7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.451 7.142 -8.448 1.00 0.00 H new ATOM 451 N GLN A 33 7.433 6.830 -8.802 1.00 0.00 N ATOM 452 CA GLN A 33 8.223 7.530 -9.796 1.00 0.00 C ATOM 453 C GLN A 33 9.638 6.957 -9.891 1.00 0.00 C ATOM 454 O GLN A 33 10.129 6.754 -11.001 1.00 0.00 O ATOM 455 CB GLN A 33 8.254 9.019 -9.439 1.00 0.00 C ATOM 456 CG GLN A 33 6.851 9.654 -9.403 1.00 0.00 C ATOM 457 CD GLN A 33 6.217 9.735 -10.789 1.00 0.00 C ATOM 458 OE1 GLN A 33 5.764 8.743 -11.352 1.00 0.00 O ATOM 459 NE2 GLN A 33 6.194 10.915 -11.382 1.00 0.00 N ATOM 0 H GLN A 33 7.560 7.193 -7.857 1.00 0.00 H new ATOM 0 HA GLN A 33 7.765 7.399 -10.776 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.730 9.145 -8.466 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.869 9.549 -10.166 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.207 9.071 -8.745 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.918 10.655 -8.977 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.573 11.733 -10.905 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.797 11.008 -12.317 1.00 0.00 H new ATOM 468 N HIS A 34 10.316 6.740 -8.761 1.00 0.00 N ATOM 469 CA HIS A 34 11.703 6.295 -8.739 1.00 0.00 C ATOM 470 C HIS A 34 11.841 4.854 -9.230 1.00 0.00 C ATOM 471 O HIS A 34 12.605 4.584 -10.154 1.00 0.00 O ATOM 472 CB HIS A 34 12.312 6.456 -7.336 1.00 0.00 C ATOM 473 CG HIS A 34 12.751 7.868 -7.043 1.00 0.00 C ATOM 474 ND1 HIS A 34 13.862 8.472 -7.582 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.169 8.764 -6.188 1.00 0.00 C ATOM 476 CE1 HIS A 34 13.966 9.700 -7.052 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.942 9.931 -6.207 1.00 0.00 N ATOM 0 H HIS A 34 9.912 6.870 -7.833 1.00 0.00 H new ATOM 0 HA HIS A 34 12.260 6.931 -9.427 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.579 6.147 -6.590 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.168 5.788 -7.238 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.275 8.600 -5.604 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.757 10.402 -7.271 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.765 10.788 -5.684 1.00 0.00 H new ATOM 485 N GLU A 35 11.167 3.910 -8.585 1.00 0.00 N ATOM 486 CA GLU A 35 11.242 2.495 -8.895 1.00 0.00 C ATOM 487 C GLU A 35 9.867 1.851 -8.670 1.00 0.00 C ATOM 488 O GLU A 35 9.651 1.210 -7.641 1.00 0.00 O ATOM 489 CB GLU A 35 12.379 1.835 -8.097 1.00 0.00 C ATOM 490 CG GLU A 35 12.397 2.150 -6.591 1.00 0.00 C ATOM 491 CD GLU A 35 13.638 1.603 -5.902 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.030 0.436 -6.131 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.173 2.287 -5.004 1.00 0.00 O ATOM 0 H GLU A 35 10.536 4.118 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 35 11.491 2.344 -9.945 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.310 0.755 -8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.331 2.146 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.350 3.229 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.508 1.727 -6.123 1.00 0.00 H new ATOM 500 N PRO A 36 8.917 1.995 -9.610 1.00 0.00 N ATOM 501 CA PRO A 36 7.580 1.430 -9.460 1.00 0.00 C ATOM 502 C PRO A 36 7.543 -0.103 -9.343 1.00 0.00 C ATOM 503 O PRO A 36 6.514 -0.641 -8.934 1.00 0.00 O ATOM 504 CB PRO A 36 6.736 1.976 -10.620 1.00 0.00 C ATOM 505 CG PRO A 36 7.745 2.611 -11.575 1.00 0.00 C ATOM 506 CD PRO A 36 8.953 2.942 -10.714 1.00 0.00 C ATOM 0 HA PRO A 36 7.161 1.741 -8.503 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.175 1.180 -11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.009 2.708 -10.269 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.011 1.926 -12.380 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.336 3.507 -12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.878 2.846 -11.283 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.907 3.969 -10.351 1.00 0.00 H new ATOM 514 N ASP A 37 8.644 -0.827 -9.590 1.00 0.00 N ATOM 515 CA ASP A 37 8.747 -2.243 -9.204 1.00 0.00 C ATOM 516 C ASP A 37 8.596 -2.418 -7.685 1.00 0.00 C ATOM 517 O ASP A 37 8.281 -3.525 -7.248 1.00 0.00 O ATOM 518 CB ASP A 37 10.093 -2.877 -9.594 1.00 0.00 C ATOM 519 CG ASP A 37 10.199 -3.398 -11.023 1.00 0.00 C ATOM 520 OD1 ASP A 37 9.630 -4.471 -11.317 1.00 0.00 O ATOM 521 OD2 ASP A 37 10.966 -2.787 -11.807 1.00 0.00 O ATOM 0 H ASP A 37 9.474 -0.457 -10.054 1.00 0.00 H new ATOM 0 HA ASP A 37 7.941 -2.741 -9.743 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.879 -2.137 -9.439 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.294 -3.703 -8.912 1.00 0.00 H new ATOM 526 N ARG A 38 8.821 -1.374 -6.865 1.00 0.00 N ATOM 527 CA ARG A 38 8.616 -1.402 -5.421 1.00 0.00 C ATOM 528 C ARG A 38 7.326 -0.691 -4.999 1.00 0.00 C ATOM 529 O ARG A 38 7.151 -0.427 -3.808 1.00 0.00 O ATOM 530 CB ARG A 38 9.843 -0.852 -4.657 1.00 0.00 C ATOM 531 CG ARG A 38 11.106 -1.695 -4.897 1.00 0.00 C ATOM 532 CD ARG A 38 12.099 -1.720 -3.723 1.00 0.00 C ATOM 533 NE ARG A 38 12.971 -0.540 -3.646 1.00 0.00 N ATOM 534 CZ ARG A 38 13.635 -0.124 -2.558 1.00 0.00 C ATOM 535 NH1 ARG A 38 13.622 -0.841 -1.441 1.00 0.00 N ATOM 536 NH2 ARG A 38 14.298 1.022 -2.593 1.00 0.00 N ATOM 0 H ARG A 38 9.157 -0.473 -7.204 1.00 0.00 H new ATOM 0 HA ARG A 38 8.501 -2.450 -5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.031 0.176 -4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.623 -0.828 -3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.805 -2.718 -5.122 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.619 -1.312 -5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.540 -1.806 -2.791 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.720 -2.612 -3.806 1.00 0.00 H new ATOM 0 HE ARG A 38 13.081 0.012 -4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.103 -1.718 -1.404 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.131 -0.515 -0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.302 1.583 -3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.805 1.343 -1.768 1.00 0.00 H new ATOM 550 N ALA A 39 6.419 -0.354 -5.920 1.00 0.00 N ATOM 551 CA ALA A 39 5.203 0.399 -5.622 1.00 0.00 C ATOM 552 C ALA A 39 4.024 -0.245 -6.355 1.00 0.00 C ATOM 553 O ALA A 39 3.793 0.015 -7.536 1.00 0.00 O ATOM 554 CB ALA A 39 5.430 1.864 -6.014 1.00 0.00 C ATOM 0 H ALA A 39 6.512 -0.601 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 39 4.965 0.377 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.531 2.442 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.267 2.268 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.654 1.925 -7.079 1.00 0.00 H new ATOM 560 N PHE A 40 3.315 -1.144 -5.673 1.00 0.00 N ATOM 561 CA PHE A 40 2.223 -1.919 -6.256 1.00 0.00 C ATOM 562 C PHE A 40 0.889 -1.266 -5.925 1.00 0.00 C ATOM 563 O PHE A 40 0.686 -0.851 -4.782 1.00 0.00 O ATOM 564 CB PHE A 40 2.249 -3.335 -5.680 1.00 0.00 C ATOM 565 CG PHE A 40 3.088 -4.304 -6.479 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.159 -3.876 -7.286 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.760 -5.664 -6.434 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.864 -4.804 -8.058 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.486 -6.605 -7.177 1.00 0.00 C ATOM 570 CZ PHE A 40 4.538 -6.169 -7.993 1.00 0.00 C ATOM 0 H PHE A 40 3.485 -1.356 -4.690 1.00 0.00 H new ATOM 0 HA PHE A 40 2.345 -1.956 -7.339 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.630 -3.295 -4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.228 -3.713 -5.624 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.436 -2.832 -7.309 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.936 -5.993 -5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.661 -4.471 -8.706 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.237 -7.654 -7.121 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.100 -6.885 -8.574 1.00 0.00 H new ATOM 580 N TYR A 41 -0.036 -1.200 -6.883 1.00 0.00 N ATOM 581 CA TYR A 41 -1.397 -0.749 -6.622 1.00 0.00 C ATOM 582 C TYR A 41 -2.438 -1.561 -7.380 1.00 0.00 C ATOM 583 O TYR A 41 -2.136 -2.149 -8.417 1.00 0.00 O ATOM 584 CB TYR A 41 -1.511 0.742 -6.923 1.00 0.00 C ATOM 585 CG TYR A 41 -1.522 1.106 -8.396 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.327 1.149 -9.140 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.739 1.427 -9.019 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.349 1.537 -10.492 1.00 0.00 C ATOM 589 CE2 TYR A 41 -2.760 1.875 -10.350 1.00 0.00 C ATOM 590 CZ TYR A 41 -1.562 1.935 -11.096 1.00 0.00 C ATOM 591 OH TYR A 41 -1.603 2.350 -12.391 1.00 0.00 O ATOM 0 H TYR A 41 0.138 -1.457 -7.855 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.609 -0.912 -5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.425 1.120 -6.465 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.678 1.257 -6.444 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.609 0.883 -8.671 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.665 1.329 -8.471 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.564 1.531 -11.069 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.693 2.174 -10.804 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.524 2.582 -12.631 1.00 0.00 H new ATOM 601 N GLY A 42 -3.683 -1.534 -6.909 1.00 0.00 N ATOM 602 CA GLY A 42 -4.760 -2.357 -7.436 1.00 0.00 C ATOM 603 C GLY A 42 -4.641 -3.766 -6.876 1.00 0.00 C ATOM 604 O GLY A 42 -3.559 -4.357 -6.896 1.00 0.00 O ATOM 0 H GLY A 42 -3.972 -0.930 -6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.725 -1.928 -7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.714 -2.382 -8.525 1.00 0.00 H new ATOM 608 N LEU A 43 -5.757 -4.301 -6.375 1.00 0.00 N ATOM 609 CA LEU A 43 -5.837 -5.503 -5.547 1.00 0.00 C ATOM 610 C LEU A 43 -4.949 -6.638 -6.056 1.00 0.00 C ATOM 611 O LEU A 43 -4.173 -7.199 -5.294 1.00 0.00 O ATOM 612 CB LEU A 43 -7.310 -5.940 -5.472 1.00 0.00 C ATOM 613 CG LEU A 43 -7.573 -7.282 -4.765 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.290 -7.204 -3.265 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.034 -7.679 -4.969 1.00 0.00 C ATOM 0 H LEU A 43 -6.673 -3.886 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.461 -5.264 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.875 -5.163 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.704 -6.002 -6.487 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.902 -8.023 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.489 -8.173 -2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.246 -6.934 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.933 -6.449 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.226 -8.629 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.682 -6.911 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.238 -7.781 -6.035 1.00 0.00 H new ATOM 627 N LYS A 44 -5.043 -6.976 -7.344 1.00 0.00 N ATOM 628 CA LYS A 44 -4.289 -7.999 -8.018 1.00 0.00 C ATOM 629 C LYS A 44 -2.802 -7.788 -7.782 1.00 0.00 C ATOM 630 O LYS A 44 -2.145 -8.731 -7.349 1.00 0.00 O ATOM 631 CB LYS A 44 -4.728 -7.925 -9.484 1.00 0.00 C ATOM 632 CG LYS A 44 -3.745 -8.579 -10.433 1.00 0.00 C ATOM 633 CD LYS A 44 -3.527 -10.082 -10.212 1.00 0.00 C ATOM 634 CE LYS A 44 -2.085 -10.339 -9.775 1.00 0.00 C ATOM 635 NZ LYS A 44 -1.189 -10.672 -10.901 1.00 0.00 N ATOM 0 H LYS A 44 -5.694 -6.503 -7.971 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.477 -9.006 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.701 -8.405 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.856 -6.880 -9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.093 -8.425 -11.454 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.785 -8.071 -10.343 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.217 -10.451 -9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.741 -10.628 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.703 -9.455 -9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.070 -11.156 -9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.227 -10.835 -10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.532 -11.532 -11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.177 -9.884 -11.579 1.00 0.00 H new ATOM 649 N GLN A 45 -2.253 -6.613 -8.107 1.00 0.00 N ATOM 650 CA GLN A 45 -0.815 -6.419 -8.008 1.00 0.00 C ATOM 651 C GLN A 45 -0.400 -6.725 -6.576 1.00 0.00 C ATOM 652 O GLN A 45 0.421 -7.593 -6.309 1.00 0.00 O ATOM 653 CB GLN A 45 -0.375 -4.989 -8.354 1.00 0.00 C ATOM 654 CG GLN A 45 -0.654 -4.517 -9.784 1.00 0.00 C ATOM 655 CD GLN A 45 0.072 -3.198 -10.081 1.00 0.00 C ATOM 656 OE1 GLN A 45 0.803 -2.650 -9.255 1.00 0.00 O ATOM 657 NE2 GLN A 45 -0.108 -2.639 -11.262 1.00 0.00 N ATOM 0 H GLN A 45 -2.776 -5.801 -8.434 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.337 -7.083 -8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.869 -4.304 -7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.696 -4.908 -8.170 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.332 -5.281 -10.492 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.727 -4.385 -9.924 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.712 -3.087 -11.951 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.357 -1.759 -11.486 1.00 0.00 H new ATOM 666 N VAL A 46 -1.006 -6.013 -5.641 1.00 0.00 N ATOM 667 CA VAL A 46 -0.799 -6.131 -4.220 1.00 0.00 C ATOM 668 C VAL A 46 -0.848 -7.593 -3.760 1.00 0.00 C ATOM 669 O VAL A 46 0.036 -7.998 -3.014 1.00 0.00 O ATOM 670 CB VAL A 46 -1.839 -5.264 -3.498 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.524 -5.282 -2.009 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.864 -3.807 -3.989 1.00 0.00 C ATOM 0 H VAL A 46 -1.694 -5.297 -5.874 1.00 0.00 H new ATOM 0 HA VAL A 46 0.199 -5.773 -3.968 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.822 -5.684 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.252 -4.671 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.570 -6.307 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.524 -4.881 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.621 -3.250 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.887 -3.351 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.101 -3.786 -5.053 1.00 0.00 H new ATOM 682 N GLU A 47 -1.825 -8.390 -4.192 1.00 0.00 N ATOM 683 CA GLU A 47 -1.905 -9.808 -3.858 1.00 0.00 C ATOM 684 C GLU A 47 -0.607 -10.526 -4.258 1.00 0.00 C ATOM 685 O GLU A 47 -0.038 -11.265 -3.459 1.00 0.00 O ATOM 686 CB GLU A 47 -3.148 -10.425 -4.526 1.00 0.00 C ATOM 687 CG GLU A 47 -4.444 -10.126 -3.755 1.00 0.00 C ATOM 688 CD GLU A 47 -5.670 -10.835 -4.350 1.00 0.00 C ATOM 689 OE1 GLU A 47 -5.790 -10.961 -5.592 1.00 0.00 O ATOM 690 OE2 GLU A 47 -6.534 -11.323 -3.572 1.00 0.00 O ATOM 0 H GLU A 47 -2.587 -8.066 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.013 -9.929 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.238 -10.041 -5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.016 -11.504 -4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.322 -10.433 -2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.619 -9.050 -3.751 1.00 0.00 H new ATOM 697 N LYS A 48 -0.061 -10.242 -5.444 1.00 0.00 N ATOM 698 CA LYS A 48 1.192 -10.830 -5.921 1.00 0.00 C ATOM 699 C LYS A 48 2.356 -10.396 -5.030 1.00 0.00 C ATOM 700 O LYS A 48 3.245 -11.194 -4.734 1.00 0.00 O ATOM 701 CB LYS A 48 1.382 -10.441 -7.402 1.00 0.00 C ATOM 702 CG LYS A 48 2.807 -10.509 -7.950 1.00 0.00 C ATOM 703 CD LYS A 48 3.377 -11.928 -8.022 1.00 0.00 C ATOM 704 CE LYS A 48 4.843 -11.932 -8.476 1.00 0.00 C ATOM 705 NZ LYS A 48 5.016 -11.458 -9.866 1.00 0.00 N ATOM 0 H LYS A 48 -0.482 -9.590 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 48 1.159 -11.918 -5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.752 -11.092 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.013 -9.424 -7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.823 -10.070 -8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.457 -9.898 -7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.299 -12.401 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.781 -12.524 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.427 -11.300 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.242 -12.943 -8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.018 -11.530 -10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.442 -12.043 -10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.709 -10.467 -9.935 1.00 0.00 H new ATOM 719 N ALA A 49 2.387 -9.134 -4.607 1.00 0.00 N ATOM 720 CA ALA A 49 3.398 -8.646 -3.675 1.00 0.00 C ATOM 721 C ALA A 49 3.259 -9.254 -2.279 1.00 0.00 C ATOM 722 O ALA A 49 4.260 -9.432 -1.580 1.00 0.00 O ATOM 723 CB ALA A 49 3.287 -7.137 -3.539 1.00 0.00 C ATOM 0 H ALA A 49 1.715 -8.425 -4.900 1.00 0.00 H new ATOM 0 HA ALA A 49 4.364 -8.940 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.044 -6.778 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.440 -6.672 -4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.297 -6.877 -3.165 1.00 0.00 H new ATOM 729 N ASN A 50 2.033 -9.525 -1.843 1.00 0.00 N ATOM 730 CA ASN A 50 1.776 -10.135 -0.551 1.00 0.00 C ATOM 731 C ASN A 50 2.277 -11.573 -0.572 1.00 0.00 C ATOM 732 O ASN A 50 2.983 -11.996 0.333 1.00 0.00 O ATOM 733 CB ASN A 50 0.286 -10.070 -0.224 1.00 0.00 C ATOM 734 CG ASN A 50 0.070 -10.565 1.193 1.00 0.00 C ATOM 735 OD1 ASN A 50 0.647 -10.012 2.119 1.00 0.00 O ATOM 736 ND2 ASN A 50 -0.736 -11.589 1.382 1.00 0.00 N ATOM 0 H ASN A 50 1.189 -9.326 -2.381 1.00 0.00 H new ATOM 0 HA ASN A 50 2.308 -9.590 0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.077 -9.047 -0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.281 -10.681 -0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.896 -11.945 2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.201 -12.026 0.586 1.00 0.00 H new ATOM 743 N GLU A 51 2.019 -12.285 -1.668 1.00 0.00 N ATOM 744 CA GLU A 51 2.569 -13.602 -1.985 1.00 0.00 C ATOM 745 C GLU A 51 4.090 -13.592 -2.160 1.00 0.00 C ATOM 746 O GLU A 51 4.749 -14.633 -2.126 1.00 0.00 O ATOM 747 CB GLU A 51 1.921 -14.063 -3.294 1.00 0.00 C ATOM 748 CG GLU A 51 0.477 -14.474 -3.024 1.00 0.00 C ATOM 749 CD GLU A 51 -0.221 -14.936 -4.303 1.00 0.00 C ATOM 750 OE1 GLU A 51 0.093 -16.034 -4.811 1.00 0.00 O ATOM 751 OE2 GLU A 51 -1.049 -14.184 -4.873 1.00 0.00 O ATOM 0 H GLU A 51 1.390 -11.942 -2.394 1.00 0.00 H new ATOM 0 HA GLU A 51 2.354 -14.273 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.951 -13.260 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.478 -14.901 -3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.458 -15.277 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.068 -13.633 -2.594 1.00 0.00 H new ATOM 758 N ALA A 52 4.649 -12.415 -2.415 1.00 0.00 N ATOM 759 CA ALA A 52 6.090 -12.173 -2.447 1.00 0.00 C ATOM 760 C ALA A 52 6.660 -11.922 -1.043 1.00 0.00 C ATOM 761 O ALA A 52 7.878 -11.970 -0.880 1.00 0.00 O ATOM 762 CB ALA A 52 6.455 -11.042 -3.421 1.00 0.00 C ATOM 0 H ALA A 52 4.099 -11.579 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 52 6.558 -13.083 -2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.535 -10.892 -3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.130 -11.309 -4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.960 -10.122 -3.112 1.00 0.00 H new ATOM 768 N MET A 53 5.816 -11.674 -0.032 1.00 0.00 N ATOM 769 CA MET A 53 6.181 -11.238 1.325 1.00 0.00 C ATOM 770 C MET A 53 6.987 -9.930 1.300 1.00 0.00 C ATOM 771 O MET A 53 7.797 -9.647 2.186 1.00 0.00 O ATOM 772 CB MET A 53 6.918 -12.344 2.094 1.00 0.00 C ATOM 773 CG MET A 53 6.266 -13.725 1.973 1.00 0.00 C ATOM 774 SD MET A 53 4.757 -13.881 2.906 1.00 0.00 S ATOM 775 CE MET A 53 3.772 -14.823 1.728 1.00 0.00 C ATOM 0 H MET A 53 4.807 -11.777 -0.143 1.00 0.00 H new ATOM 0 HA MET A 53 5.254 -11.035 1.861 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.944 -12.404 1.730 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.969 -12.068 3.147 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.057 -13.929 0.923 1.00 0.00 H new ATOM 0 HG3 MET A 53 6.973 -14.483 2.311 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.741 -14.877 2.077 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.801 -14.332 0.755 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.178 -15.831 1.638 1.00 0.00 H new ATOM 785 N ALA A 54 6.804 -9.146 0.237 1.00 0.00 N ATOM 786 CA ALA A 54 7.558 -7.932 -0.006 1.00 0.00 C ATOM 787 C ALA A 54 6.882 -6.716 0.598 1.00 0.00 C ATOM 788 O ALA A 54 7.528 -5.677 0.646 1.00 0.00 O ATOM 789 CB ALA A 54 7.679 -7.752 -1.522 1.00 0.00 C ATOM 0 H ALA A 54 6.114 -9.347 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 54 8.538 -8.022 0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.243 -6.844 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.196 -8.611 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.684 -7.673 -1.960 1.00 0.00 H new ATOM 795 N ILE A 55 5.607 -6.797 0.985 1.00 0.00 N ATOM 796 CA ILE A 55 4.853 -5.640 1.441 1.00 0.00 C ATOM 797 C ILE A 55 5.413 -5.192 2.785 1.00 0.00 C ATOM 798 O ILE A 55 5.203 -5.846 3.801 1.00 0.00 O ATOM 799 CB ILE A 55 3.336 -5.931 1.450 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.902 -6.001 -0.024 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.549 -4.864 2.242 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.418 -6.248 -0.250 1.00 0.00 C ATOM 0 H ILE A 55 5.074 -7.667 0.989 1.00 0.00 H new ATOM 0 HA ILE A 55 4.969 -4.807 0.747 1.00 0.00 H new ATOM 0 HB ILE A 55 3.121 -6.871 1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.177 -5.066 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.465 -6.795 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.487 -5.107 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.899 -4.846 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.706 -3.885 1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.213 -6.280 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.134 -7.198 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.842 -5.443 0.205 1.00 0.00 H new ATOM 814 N ASP A 56 6.111 -4.060 2.772 1.00 0.00 N ATOM 815 CA ASP A 56 6.566 -3.417 3.999 1.00 0.00 C ATOM 816 C ASP A 56 5.391 -2.722 4.665 1.00 0.00 C ATOM 817 O ASP A 56 5.174 -2.857 5.865 1.00 0.00 O ATOM 818 CB ASP A 56 7.643 -2.362 3.734 1.00 0.00 C ATOM 819 CG ASP A 56 8.074 -1.752 5.067 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.817 -2.423 5.817 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.618 -0.623 5.379 1.00 0.00 O ATOM 0 H ASP A 56 6.375 -3.567 1.919 1.00 0.00 H new ATOM 0 HA ASP A 56 6.987 -4.196 4.635 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.498 -2.814 3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.257 -1.587 3.072 1.00 0.00 H new ATOM 826 N THR A 57 4.637 -1.948 3.884 1.00 0.00 N ATOM 827 CA THR A 57 3.564 -1.099 4.364 1.00 0.00 C ATOM 828 C THR A 57 2.455 -1.119 3.317 1.00 0.00 C ATOM 829 O THR A 57 2.712 -0.970 2.125 1.00 0.00 O ATOM 830 CB THR A 57 4.118 0.315 4.612 1.00 0.00 C ATOM 831 OG1 THR A 57 5.073 0.297 5.654 1.00 0.00 O ATOM 832 CG2 THR A 57 3.045 1.307 5.060 1.00 0.00 C ATOM 0 H THR A 57 4.765 -1.898 2.873 1.00 0.00 H new ATOM 0 HA THR A 57 3.152 -1.453 5.309 1.00 0.00 H new ATOM 0 HB THR A 57 4.543 0.625 3.657 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.924 -0.049 5.312 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.498 2.286 5.219 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.276 1.383 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.595 0.960 5.990 1.00 0.00 H new ATOM 840 N LEU A 58 1.217 -1.281 3.764 1.00 0.00 N ATOM 841 CA LEU A 58 0.004 -1.367 2.964 1.00 0.00 C ATOM 842 C LEU A 58 -0.794 -0.093 3.212 1.00 0.00 C ATOM 843 O LEU A 58 -0.951 0.279 4.370 1.00 0.00 O ATOM 844 CB LEU A 58 -0.754 -2.629 3.428 1.00 0.00 C ATOM 845 CG LEU A 58 -2.286 -2.583 3.301 1.00 0.00 C ATOM 846 CD1 LEU A 58 -2.717 -2.481 1.848 1.00 0.00 C ATOM 847 CD2 LEU A 58 -2.879 -3.857 3.892 1.00 0.00 C ATOM 0 H LEU A 58 1.021 -1.361 4.762 1.00 0.00 H new ATOM 0 HA LEU A 58 0.196 -1.449 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.388 -3.480 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.502 -2.816 4.472 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.642 -1.703 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.805 -2.451 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.306 -1.572 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.350 -3.347 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.965 -3.828 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.494 -4.722 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.602 -3.933 4.944 1.00 0.00 H new ATOM 859 N LEU A 59 -1.306 0.549 2.158 1.00 0.00 N ATOM 860 CA LEU A 59 -2.201 1.696 2.204 1.00 0.00 C ATOM 861 C LEU A 59 -3.524 1.296 1.546 1.00 0.00 C ATOM 862 O LEU A 59 -3.523 0.866 0.393 1.00 0.00 O ATOM 863 CB LEU A 59 -1.621 2.963 1.545 1.00 0.00 C ATOM 864 CG LEU A 59 -0.215 2.920 0.938 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.081 4.262 0.267 1.00 0.00 C ATOM 866 CD2 LEU A 59 0.916 2.659 1.934 1.00 0.00 C ATOM 0 H LEU A 59 -1.093 0.263 1.202 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.350 1.964 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.309 3.265 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.629 3.754 2.295 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.232 2.081 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.080 4.239 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.652 4.446 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.026 5.059 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.870 2.647 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.927 3.447 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.758 1.696 2.420 1.00 0.00 H new ATOM 878 N ILE A 60 -4.651 1.441 2.238 1.00 0.00 N ATOM 879 CA ILE A 60 -5.967 1.164 1.665 1.00 0.00 C ATOM 880 C ILE A 60 -6.924 2.260 2.132 1.00 0.00 C ATOM 881 O ILE A 60 -6.937 2.609 3.317 1.00 0.00 O ATOM 882 CB ILE A 60 -6.417 -0.260 2.060 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.591 -0.668 1.160 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.792 -0.427 3.548 1.00 0.00 C ATOM 885 CD1 ILE A 60 -7.896 -2.158 1.248 1.00 0.00 C ATOM 0 H ILE A 60 -4.679 1.753 3.209 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.947 1.181 0.575 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.559 -0.916 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.477 -0.101 1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.362 -0.407 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.095 -1.457 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.930 -0.185 4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.616 0.243 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.734 -2.397 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.020 -2.728 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.153 -2.417 2.275 1.00 0.00 H new ATOM 897 N SER A 61 -7.726 2.788 1.214 1.00 0.00 N ATOM 898 CA SER A 61 -8.856 3.647 1.501 1.00 0.00 C ATOM 899 C SER A 61 -9.857 2.844 2.330 1.00 0.00 C ATOM 900 O SER A 61 -10.246 1.735 1.950 1.00 0.00 O ATOM 901 CB SER A 61 -9.426 4.127 0.156 1.00 0.00 C ATOM 902 OG SER A 61 -8.773 5.287 -0.320 1.00 0.00 O ATOM 0 H SER A 61 -7.598 2.620 0.216 1.00 0.00 H new ATOM 0 HA SER A 61 -8.587 4.530 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.330 3.330 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.491 4.332 0.268 1.00 0.00 H new ATOM 0 HG SER A 61 -9.166 5.555 -1.177 1.00 0.00 H new ATOM 908 N ASP A 62 -10.246 3.377 3.491 1.00 0.00 N ATOM 909 CA ASP A 62 -11.148 2.702 4.416 1.00 0.00 C ATOM 910 C ASP A 62 -12.466 2.351 3.736 1.00 0.00 C ATOM 911 O ASP A 62 -12.980 1.273 3.982 1.00 0.00 O ATOM 912 CB ASP A 62 -11.309 3.445 5.751 1.00 0.00 C ATOM 913 CG ASP A 62 -12.152 4.722 5.799 1.00 0.00 C ATOM 914 OD1 ASP A 62 -12.857 5.089 4.841 1.00 0.00 O ATOM 915 OD2 ASP A 62 -12.108 5.352 6.884 1.00 0.00 O ATOM 0 H ASP A 62 -9.940 4.295 3.814 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.685 1.756 4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.736 2.743 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.311 3.698 6.108 1.00 0.00 H new ATOM 920 N GLU A 63 -12.955 3.138 2.782 1.00 0.00 N ATOM 921 CA GLU A 63 -14.146 2.809 2.003 1.00 0.00 C ATOM 922 C GLU A 63 -14.071 1.429 1.322 1.00 0.00 C ATOM 923 O GLU A 63 -15.105 0.809 1.083 1.00 0.00 O ATOM 924 CB GLU A 63 -14.409 3.911 0.970 1.00 0.00 C ATOM 925 CG GLU A 63 -13.195 4.242 0.089 1.00 0.00 C ATOM 926 CD GLU A 63 -13.574 4.971 -1.200 1.00 0.00 C ATOM 927 OE1 GLU A 63 -14.538 4.544 -1.875 1.00 0.00 O ATOM 928 OE2 GLU A 63 -12.894 5.972 -1.542 1.00 0.00 O ATOM 0 H GLU A 63 -12.532 4.030 2.525 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.979 2.751 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.237 3.605 0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.725 4.815 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.498 4.858 0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.673 3.319 -0.162 1.00 0.00 H new ATOM 935 N LEU A 64 -12.866 0.924 1.039 1.00 0.00 N ATOM 936 CA LEU A 64 -12.637 -0.403 0.481 1.00 0.00 C ATOM 937 C LEU A 64 -12.557 -1.429 1.613 1.00 0.00 C ATOM 938 O LEU A 64 -13.147 -2.508 1.529 1.00 0.00 O ATOM 939 CB LEU A 64 -11.342 -0.409 -0.344 1.00 0.00 C ATOM 940 CG LEU A 64 -11.244 0.682 -1.426 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.973 0.448 -2.235 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.443 0.710 -2.379 1.00 0.00 C ATOM 0 H LEU A 64 -12.003 1.445 1.198 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.466 -0.668 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.497 -0.299 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.241 -1.383 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.229 1.644 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.887 1.213 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.107 0.500 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.015 -0.536 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.305 1.503 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.524 -0.249 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.355 0.896 -1.811 1.00 0.00 H new ATOM 954 N PHE A 65 -11.868 -1.081 2.703 1.00 0.00 N ATOM 955 CA PHE A 65 -11.833 -1.835 3.957 1.00 0.00 C ATOM 956 C PHE A 65 -13.243 -2.155 4.492 1.00 0.00 C ATOM 957 O PHE A 65 -13.440 -3.164 5.178 1.00 0.00 O ATOM 958 CB PHE A 65 -11.056 -0.985 4.973 1.00 0.00 C ATOM 959 CG PHE A 65 -10.595 -1.669 6.238 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.889 -2.885 6.196 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.873 -1.054 7.471 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.527 -3.524 7.396 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.498 -1.684 8.670 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.839 -2.926 8.631 1.00 0.00 C ATOM 0 H PHE A 65 -11.299 -0.235 2.737 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.350 -2.797 3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.179 -0.577 4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.683 -0.140 5.256 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.626 -3.326 5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.375 -0.098 7.497 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.010 -4.472 7.369 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.715 -1.216 9.619 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.572 -3.422 9.552 1.00 0.00 H new ATOM 974 N ARG A 66 -14.232 -1.316 4.165 1.00 0.00 N ATOM 975 CA ARG A 66 -15.628 -1.443 4.542 1.00 0.00 C ATOM 976 C ARG A 66 -16.531 -1.371 3.302 1.00 0.00 C ATOM 977 O ARG A 66 -17.644 -0.855 3.381 1.00 0.00 O ATOM 978 CB ARG A 66 -15.975 -0.467 5.689 1.00 0.00 C ATOM 979 CG ARG A 66 -15.006 0.688 5.973 1.00 0.00 C ATOM 980 CD ARG A 66 -15.411 1.540 7.174 1.00 0.00 C ATOM 981 NE ARG A 66 -14.746 1.089 8.402 1.00 0.00 N ATOM 982 CZ ARG A 66 -15.171 0.166 9.265 1.00 0.00 C ATOM 983 NH1 ARG A 66 -16.364 -0.411 9.155 1.00 0.00 N ATOM 984 NH2 ARG A 66 -14.366 -0.165 10.264 1.00 0.00 N ATOM 0 H ARG A 66 -14.061 -0.486 3.598 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.820 -2.431 4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.953 -0.037 5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.076 -1.050 6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.009 0.282 6.145 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.943 1.325 5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.157 2.583 6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.492 1.494 7.306 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.854 1.534 8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.988 -0.151 8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.655 -1.114 9.835 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.454 0.283 10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.658 -0.868 10.943 1.00 0.00 H new ATOM 998 N HIS A 67 -16.075 -1.903 2.162 1.00 0.00 N ATOM 999 CA HIS A 67 -16.844 -1.873 0.918 1.00 0.00 C ATOM 1000 C HIS A 67 -18.228 -2.504 1.107 1.00 0.00 C ATOM 1001 O HIS A 67 -18.389 -3.449 1.879 1.00 0.00 O ATOM 1002 CB HIS A 67 -16.072 -2.577 -0.206 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.618 -2.246 -1.569 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.744 -2.833 -2.135 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -16.119 -1.323 -2.438 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.925 -2.245 -3.324 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.974 -1.310 -3.521 1.00 0.00 N ATOM 0 H HIS A 67 -15.168 -2.363 2.078 1.00 0.00 H new ATOM 0 HA HIS A 67 -16.991 -0.831 0.636 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -15.022 -2.289 -0.158 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -16.114 -3.655 -0.052 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.232 -0.722 -2.306 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.715 -2.484 -4.021 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.899 -0.697 -4.333 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.235 -1.999 0.396 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.607 -2.471 0.526 1.00 0.00 C ATOM 1017 C GLN A 68 -20.803 -3.897 -0.002 1.00 0.00 C ATOM 1018 O GLN A 68 -21.776 -4.550 0.372 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.546 -1.482 -0.183 1.00 0.00 C ATOM 1020 CG GLN A 68 -21.445 -1.476 -1.724 1.00 0.00 C ATOM 1021 CD GLN A 68 -22.607 -2.171 -2.441 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -23.064 -3.318 -1.979 1.00 0.00 O flip ATOM 1023 NE2 GLN A 68 -23.104 -1.711 -3.465 1.00 0.00 N flip ATOM 0 H GLN A 68 -19.119 -1.250 -0.287 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.848 -2.515 1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.573 -1.715 0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.335 -0.477 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -21.389 -0.443 -2.067 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.513 -1.960 -2.016 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -22.767 -0.825 -3.842 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -23.854 -2.215 -3.939 1.00 0.00 H new ATOM 1032 N ASP A 69 -19.971 -4.366 -0.931 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.056 -5.705 -1.499 1.00 0.00 C ATOM 1034 C ASP A 69 -19.193 -6.623 -0.642 1.00 0.00 C ATOM 1035 O ASP A 69 -17.987 -6.407 -0.516 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.564 -5.729 -2.951 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.303 -7.171 -3.408 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -20.047 -8.102 -3.020 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -18.240 -7.379 -4.030 1.00 0.00 O ATOM 0 H ASP A 69 -19.205 -3.813 -1.315 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.095 -6.036 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.306 -5.265 -3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.650 -5.142 -3.041 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.794 -7.659 -0.059 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.107 -8.607 0.801 1.00 0.00 C ATOM 1046 C VAL A 70 -17.940 -9.269 0.067 1.00 0.00 C ATOM 1047 O VAL A 70 -16.924 -9.505 0.714 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.114 -9.633 1.366 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.458 -10.689 2.265 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.187 -8.908 2.186 1.00 0.00 C ATOM 0 H VAL A 70 -20.787 -7.862 -0.176 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.673 -8.074 1.647 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.546 -10.144 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.218 -11.379 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.711 -11.240 1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.977 -10.198 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.895 -9.635 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.715 -8.374 3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.715 -8.198 1.549 1.00 0.00 H new ATOM 1060 N ALA A 71 -18.030 -9.580 -1.232 1.00 0.00 N ATOM 1061 CA ALA A 71 -16.917 -10.209 -1.948 1.00 0.00 C ATOM 1062 C ALA A 71 -15.716 -9.256 -1.986 1.00 0.00 C ATOM 1063 O ALA A 71 -14.635 -9.585 -1.496 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.356 -10.640 -3.352 1.00 0.00 C ATOM 0 H ALA A 71 -18.857 -9.407 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.609 -11.111 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.517 -11.105 -3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.175 -11.355 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.689 -9.767 -3.913 1.00 0.00 H new ATOM 1070 N THR A 72 -15.932 -8.056 -2.516 1.00 0.00 N ATOM 1071 CA THR A 72 -14.965 -6.971 -2.622 1.00 0.00 C ATOM 1072 C THR A 72 -14.361 -6.668 -1.256 1.00 0.00 C ATOM 1073 O THR A 72 -13.144 -6.741 -1.091 1.00 0.00 O ATOM 1074 CB THR A 72 -15.680 -5.760 -3.246 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.135 -6.110 -4.540 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.806 -4.517 -3.348 1.00 0.00 C ATOM 0 H THR A 72 -16.840 -7.801 -2.905 1.00 0.00 H new ATOM 0 HA THR A 72 -14.129 -7.247 -3.265 1.00 0.00 H new ATOM 0 HB THR A 72 -16.507 -5.508 -2.582 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.959 -6.635 -4.466 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.378 -3.706 -3.797 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.477 -4.221 -2.352 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.936 -4.734 -3.968 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.193 -6.367 -0.258 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.728 -6.066 1.080 1.00 0.00 C ATOM 1086 C ARG A 73 -13.884 -7.213 1.605 1.00 0.00 C ATOM 1087 O ARG A 73 -12.780 -6.963 2.074 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.930 -5.819 1.992 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.488 -5.238 3.336 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.735 -5.035 4.200 1.00 0.00 C ATOM 1091 NE ARG A 73 -16.454 -4.738 5.607 1.00 0.00 N ATOM 1092 CZ ARG A 73 -17.333 -4.240 6.485 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -18.557 -3.900 6.099 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -16.976 -4.080 7.755 1.00 0.00 N ATOM 0 H ARG A 73 -16.207 -6.327 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.111 -5.168 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.625 -5.134 1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.466 -6.754 2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.788 -5.912 3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.969 -4.291 3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.325 -4.220 3.780 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.350 -5.934 4.147 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.510 -4.926 5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.836 -4.017 5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.219 -3.521 6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.036 -4.336 8.057 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.642 -3.701 8.428 1.00 0.00 H new ATOM 1108 N SER A 74 -14.377 -8.453 1.516 1.00 0.00 N ATOM 1109 CA SER A 74 -13.657 -9.604 2.036 1.00 0.00 C ATOM 1110 C SER A 74 -12.245 -9.658 1.479 1.00 0.00 C ATOM 1111 O SER A 74 -11.330 -9.869 2.258 1.00 0.00 O ATOM 1112 CB SER A 74 -14.396 -10.914 1.797 1.00 0.00 C ATOM 1113 OG SER A 74 -15.630 -10.861 2.492 1.00 0.00 O ATOM 0 H SER A 74 -15.274 -8.678 1.086 1.00 0.00 H new ATOM 0 HA SER A 74 -13.595 -9.476 3.117 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.567 -11.065 0.731 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.799 -11.756 2.147 1.00 0.00 H new ATOM 0 HG SER A 74 -16.239 -10.246 2.031 1.00 0.00 H new ATOM 1119 N ARG A 75 -12.047 -9.384 0.188 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.722 -9.396 -0.432 1.00 0.00 C ATOM 1121 C ARG A 75 -9.796 -8.433 0.283 1.00 0.00 C ATOM 1122 O ARG A 75 -8.699 -8.813 0.680 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.816 -9.040 -1.914 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.412 -10.207 -2.695 1.00 0.00 C ATOM 1125 CD ARG A 75 -11.936 -9.728 -4.038 1.00 0.00 C ATOM 1126 NE ARG A 75 -11.764 -10.789 -5.041 1.00 0.00 N ATOM 1127 CZ ARG A 75 -12.727 -11.531 -5.593 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -14.011 -11.237 -5.433 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -12.404 -12.601 -6.301 1.00 0.00 N ATOM 0 H ARG A 75 -12.801 -9.148 -0.457 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.313 -10.403 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.434 -8.151 -2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.826 -8.800 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.655 -10.977 -2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.220 -10.662 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.989 -9.460 -3.954 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.402 -8.830 -4.349 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.810 -10.978 -5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.283 -10.426 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.726 -11.821 -5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.424 -12.855 -6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.135 -13.172 -6.725 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.235 -7.190 0.450 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.463 -6.184 1.145 1.00 0.00 C ATOM 1145 C TYR A 76 -9.181 -6.569 2.589 1.00 0.00 C ATOM 1146 O TYR A 76 -8.020 -6.574 2.986 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.195 -4.851 1.042 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.312 -4.373 -0.390 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.173 -4.303 -1.219 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.570 -4.029 -0.905 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.289 -3.872 -2.549 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.682 -3.564 -2.225 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.542 -3.477 -3.058 1.00 0.00 C ATOM 1154 OH TYR A 76 -10.633 -3.013 -4.337 1.00 0.00 O ATOM 0 H TYR A 76 -11.136 -6.859 0.105 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.485 -6.096 0.671 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.191 -4.951 1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.667 -4.102 1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.206 -4.583 -0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.451 -4.122 -0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.416 -3.843 -3.184 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.648 -3.270 -2.608 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.565 -2.783 -4.536 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.195 -6.887 3.396 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.964 -7.166 4.818 1.00 0.00 C ATOM 1166 C VAL A 77 -9.107 -8.421 4.992 1.00 0.00 C ATOM 1167 O VAL A 77 -8.319 -8.492 5.939 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.276 -7.241 5.624 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -12.172 -6.054 5.268 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -12.077 -8.523 5.395 1.00 0.00 C ATOM 0 H VAL A 77 -11.168 -6.958 3.098 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.408 -6.324 5.230 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.976 -7.225 6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.098 -6.112 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.656 -5.124 5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.402 -6.078 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.985 -8.497 5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.343 -8.602 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.475 -9.385 5.683 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.237 -9.385 4.073 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.424 -10.585 4.011 1.00 0.00 C ATOM 1182 C ARG A 78 -6.977 -10.192 3.810 1.00 0.00 C ATOM 1183 O ARG A 78 -6.124 -10.512 4.626 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.866 -11.482 2.842 1.00 0.00 C ATOM 1185 CG ARG A 78 -10.038 -12.400 3.211 1.00 0.00 C ATOM 1186 CD ARG A 78 -9.429 -13.750 3.544 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.396 -14.752 3.991 1.00 0.00 N ATOM 1188 CZ ARG A 78 -10.033 -15.897 4.577 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -8.773 -16.090 4.960 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -10.943 -16.836 4.811 1.00 0.00 N ATOM 0 H ARG A 78 -9.937 -9.341 3.332 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.543 -11.137 4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.152 -10.856 1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.022 -12.090 2.517 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.591 -12.002 4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.742 -12.484 2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.911 -14.129 2.663 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.678 -13.615 4.322 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.389 -14.569 3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.076 -15.361 4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.504 -16.967 5.407 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.915 -16.682 4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.670 -17.711 5.258 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.712 -9.471 2.729 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.384 -9.064 2.324 1.00 0.00 C ATOM 1206 C LEU A 79 -4.717 -8.177 3.380 1.00 0.00 C ATOM 1207 O LEU A 79 -3.539 -8.365 3.671 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.539 -8.393 0.961 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.226 -7.906 0.349 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.158 -8.996 0.198 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.566 -7.349 -1.028 1.00 0.00 C ATOM 0 H LEU A 79 -7.441 -9.146 2.094 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.709 -9.916 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.008 -9.097 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.217 -7.545 1.061 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.795 -7.164 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.259 -8.566 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.919 -9.409 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.536 -9.789 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.657 -6.987 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.011 -8.135 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.274 -6.527 -0.923 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.463 -7.254 3.991 1.00 0.00 N ATOM 1224 CA VAL A 80 -5.032 -6.475 5.154 1.00 0.00 C ATOM 1225 C VAL A 80 -4.550 -7.407 6.277 1.00 0.00 C ATOM 1226 O VAL A 80 -3.519 -7.157 6.897 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.183 -5.548 5.620 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.927 -4.935 7.005 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.445 -4.389 4.644 1.00 0.00 C ATOM 0 H VAL A 80 -6.407 -7.022 3.683 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.187 -5.844 4.877 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.054 -6.202 5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.765 -4.295 7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.821 -5.732 7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.012 -4.343 6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.261 -3.773 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.545 -3.781 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.715 -4.790 3.667 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.312 -8.459 6.569 1.00 0.00 N ATOM 1240 CA ASP A 81 -5.044 -9.398 7.656 1.00 0.00 C ATOM 1241 C ASP A 81 -3.847 -10.299 7.336 1.00 0.00 C ATOM 1242 O ASP A 81 -3.029 -10.596 8.202 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.312 -10.228 7.887 1.00 0.00 C ATOM 1244 CG ASP A 81 -6.314 -10.923 9.234 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -6.466 -10.198 10.235 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -6.317 -12.179 9.266 1.00 0.00 O ATOM 0 H ASP A 81 -6.155 -8.688 6.042 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.785 -8.849 8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.185 -9.579 7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.403 -10.974 7.097 1.00 0.00 H new ATOM 1251 N SER A 82 -3.723 -10.707 6.074 1.00 0.00 N ATOM 1252 CA SER A 82 -2.661 -11.546 5.543 1.00 0.00 C ATOM 1253 C SER A 82 -1.316 -10.809 5.573 1.00 0.00 C ATOM 1254 O SER A 82 -0.302 -11.409 5.926 1.00 0.00 O ATOM 1255 CB SER A 82 -3.095 -11.964 4.132 1.00 0.00 C ATOM 1256 OG SER A 82 -2.204 -12.843 3.477 1.00 0.00 O ATOM 0 H SER A 82 -4.401 -10.444 5.359 1.00 0.00 H new ATOM 0 HA SER A 82 -2.506 -12.438 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.074 -12.440 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.214 -11.068 3.523 1.00 0.00 H new ATOM 0 HG SER A 82 -2.554 -13.060 2.588 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.291 -9.504 5.280 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.072 -8.704 5.373 1.00 0.00 C ATOM 1264 C VAL A 83 0.538 -8.809 6.775 1.00 0.00 C ATOM 1265 O VAL A 83 1.757 -8.914 6.897 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.368 -7.252 4.939 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.658 -6.211 5.406 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.397 -7.173 3.409 1.00 0.00 C ATOM 0 H VAL A 83 -2.110 -8.979 4.974 1.00 0.00 H new ATOM 0 HA VAL A 83 0.682 -9.093 4.689 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.323 -7.013 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.362 -5.224 5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.702 -6.207 6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.640 -6.462 5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.606 -6.148 3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.569 -7.482 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.175 -7.833 3.025 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.278 -8.816 7.833 1.00 0.00 N ATOM 1279 CA LYS A 84 0.223 -8.872 9.206 1.00 0.00 C ATOM 1280 C LYS A 84 0.894 -10.214 9.485 1.00 0.00 C ATOM 1281 O LYS A 84 1.941 -10.251 10.130 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.923 -8.631 10.194 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.566 -7.252 10.008 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.795 -7.115 10.906 1.00 0.00 C ATOM 1285 CE LYS A 84 -3.384 -5.719 10.727 1.00 0.00 C ATOM 1286 NZ LYS A 84 -4.456 -5.449 11.699 1.00 0.00 N ATOM 0 H LYS A 84 -1.295 -8.783 7.762 1.00 0.00 H new ATOM 0 HA LYS A 84 0.969 -8.088 9.333 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.681 -9.404 10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.547 -8.720 11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.844 -6.471 10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.852 -7.114 8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.536 -7.872 10.650 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.520 -7.278 11.948 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.596 -4.975 10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.777 -5.617 9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.831 -4.491 11.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.220 -6.144 11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.076 -5.521 12.664 1.00 0.00 H new ATOM 1300 N GLU A 85 0.327 -11.307 8.970 1.00 0.00 N ATOM 1301 CA GLU A 85 0.906 -12.647 9.073 1.00 0.00 C ATOM 1302 C GLU A 85 2.234 -12.730 8.320 1.00 0.00 C ATOM 1303 O GLU A 85 3.104 -13.529 8.668 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.036 -13.688 8.495 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.365 -13.746 9.204 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.301 -14.067 10.694 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -1.379 -15.264 11.039 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -1.253 -13.143 11.540 1.00 0.00 O ATOM 0 H GLU A 85 -0.558 -11.285 8.464 1.00 0.00 H new ATOM 0 HA GLU A 85 1.072 -12.844 10.132 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.204 -13.471 7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.439 -14.668 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.866 -12.786 9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.986 -14.497 8.715 1.00 0.00 H new ATOM 1315 N ASN A 86 2.381 -11.913 7.276 1.00 0.00 N ATOM 1316 CA ASN A 86 3.573 -11.789 6.442 1.00 0.00 C ATOM 1317 C ASN A 86 4.505 -10.688 6.983 1.00 0.00 C ATOM 1318 O ASN A 86 5.435 -10.272 6.289 1.00 0.00 O ATOM 1319 CB ASN A 86 3.167 -11.530 4.979 1.00 0.00 C ATOM 1320 CG ASN A 86 2.338 -12.654 4.348 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.086 -13.725 4.912 1.00 0.00 O ATOM 1322 ND2 ASN A 86 1.977 -12.478 3.093 1.00 0.00 N ATOM 0 H ASN A 86 1.632 -11.289 6.976 1.00 0.00 H new ATOM 0 HA ASN A 86 4.130 -12.725 6.474 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.597 -10.602 4.931 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.068 -11.381 4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.493 -13.223 2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.182 -11.597 2.622 1.00 0.00 H new ATOM 1329 N ALA A 87 4.267 -10.211 8.213 1.00 0.00 N ATOM 1330 CA ALA A 87 5.034 -9.209 8.951 1.00 0.00 C ATOM 1331 C ALA A 87 5.126 -7.831 8.270 1.00 0.00 C ATOM 1332 O ALA A 87 6.076 -7.082 8.515 1.00 0.00 O ATOM 1333 CB ALA A 87 6.400 -9.782 9.365 1.00 0.00 C ATOM 0 H ALA A 87 3.470 -10.545 8.756 1.00 0.00 H new ATOM 0 HA ALA A 87 4.468 -8.991 9.857 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.961 -9.025 9.914 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.251 -10.655 10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.958 -10.072 8.475 1.00 0.00 H new ATOM 1339 N GLY A 88 4.154 -7.466 7.435 1.00 0.00 N ATOM 1340 CA GLY A 88 4.030 -6.121 6.891 1.00 0.00 C ATOM 1341 C GLY A 88 3.127 -5.250 7.770 1.00 0.00 C ATOM 1342 O GLY A 88 2.305 -5.740 8.547 1.00 0.00 O ATOM 0 H GLY A 88 3.425 -8.104 7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.017 -5.665 6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.622 -6.170 5.882 1.00 0.00 H new ATOM 1346 N THR A 89 3.262 -3.935 7.626 1.00 0.00 N ATOM 1347 CA THR A 89 2.524 -2.916 8.358 1.00 0.00 C ATOM 1348 C THR A 89 1.291 -2.483 7.562 1.00 0.00 C ATOM 1349 O THR A 89 1.253 -2.585 6.335 1.00 0.00 O ATOM 1350 CB THR A 89 3.516 -1.772 8.645 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.324 -2.177 9.739 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.900 -0.409 8.991 1.00 0.00 C ATOM 0 H THR A 89 3.923 -3.533 6.961 1.00 0.00 H new ATOM 0 HA THR A 89 2.133 -3.285 9.306 1.00 0.00 H new ATOM 0 HB THR A 89 4.062 -1.611 7.715 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.970 -1.470 9.948 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.695 0.314 9.172 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.281 -0.068 8.161 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.285 -0.504 9.886 1.00 0.00 H new ATOM 1360 N VAL A 90 0.288 -1.936 8.254 1.00 0.00 N ATOM 1361 CA VAL A 90 -0.990 -1.549 7.672 1.00 0.00 C ATOM 1362 C VAL A 90 -1.218 -0.054 7.912 1.00 0.00 C ATOM 1363 O VAL A 90 -0.773 0.524 8.914 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.096 -2.453 8.264 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.491 -2.096 7.736 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -1.810 -3.933 7.946 1.00 0.00 C ATOM 0 H VAL A 90 0.348 -1.748 9.255 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.005 -1.694 6.592 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.086 -2.288 9.341 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.230 -2.761 8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.726 -1.064 7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.510 -2.209 6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.598 -4.555 8.370 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.779 -4.073 6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.851 -4.219 8.377 1.00 0.00 H new ATOM 1376 N ARG A 91 -1.911 0.591 6.977 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.281 1.996 7.000 1.00 0.00 C ATOM 1378 C ARG A 91 -3.686 2.049 6.415 1.00 0.00 C ATOM 1379 O ARG A 91 -3.900 1.593 5.291 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.309 2.835 6.142 1.00 0.00 C ATOM 1381 CG ARG A 91 0.190 2.657 6.407 1.00 0.00 C ATOM 1382 CD ARG A 91 0.624 3.552 7.561 1.00 0.00 C ATOM 1383 NE ARG A 91 2.034 3.391 7.944 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.451 2.895 9.112 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.592 2.279 9.921 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.733 3.000 9.450 1.00 0.00 N ATOM 0 H ARG A 91 -2.246 0.117 6.138 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.240 2.407 8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.497 2.603 5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.555 3.887 6.284 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.405 1.615 6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.758 2.904 5.510 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.449 4.592 7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.004 3.341 8.427 1.00 0.00 H new ATOM 0 HE ARG A 91 2.744 3.678 7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.613 2.185 9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.912 1.901 10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.391 3.457 8.819 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.058 2.623 10.340 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.629 2.570 7.186 1.00 0.00 N ATOM 1401 CA ILE A 92 -6.038 2.637 6.828 1.00 0.00 C ATOM 1402 C ILE A 92 -6.370 4.113 6.663 1.00 0.00 C ATOM 1403 O ILE A 92 -6.336 4.873 7.631 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.933 1.954 7.883 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.500 0.522 8.268 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.393 1.992 7.398 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.583 -0.522 7.149 1.00 0.00 C ATOM 0 H ILE A 92 -4.430 2.969 8.103 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.230 2.095 5.902 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.824 2.521 8.808 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.473 0.558 8.630 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.120 0.186 9.100 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.034 1.512 8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.705 3.028 7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.475 1.464 6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.256 -1.490 7.529 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.612 -0.599 6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.940 -0.221 6.322 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.659 4.517 5.433 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.773 5.907 5.042 1.00 0.00 C ATOM 1421 C PHE A 93 -8.223 6.336 5.235 1.00 0.00 C ATOM 1422 O PHE A 93 -9.124 5.702 4.686 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.382 6.012 3.559 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.902 6.140 3.251 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.895 5.582 4.067 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.531 6.835 2.091 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.537 5.794 3.762 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -3.182 7.009 1.771 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.177 6.528 2.620 1.00 0.00 C ATOM 0 H PHE A 93 -6.824 3.867 4.664 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.124 6.548 5.639 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.761 5.129 3.044 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.894 6.875 3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.167 4.990 4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.293 7.238 1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.770 5.391 4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.911 7.520 0.859 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.137 6.719 2.399 1.00 0.00 H new ATOM 1439 N SER A 94 -8.459 7.396 6.005 1.00 0.00 N ATOM 1440 CA SER A 94 -9.811 7.862 6.270 1.00 0.00 C ATOM 1441 C SER A 94 -10.400 8.563 5.045 1.00 0.00 C ATOM 1442 O SER A 94 -9.722 9.387 4.427 1.00 0.00 O ATOM 1443 CB SER A 94 -9.801 8.789 7.490 1.00 0.00 C ATOM 1444 OG SER A 94 -9.134 8.167 8.579 1.00 0.00 O ATOM 0 H SER A 94 -7.728 7.947 6.455 1.00 0.00 H new ATOM 0 HA SER A 94 -10.447 7.004 6.486 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.304 9.726 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.824 9.037 7.775 1.00 0.00 H new ATOM 0 HG SER A 94 -9.134 8.771 9.351 1.00 0.00 H new ATOM 1450 N SER A 95 -11.686 8.318 4.776 1.00 0.00 N ATOM 1451 CA SER A 95 -12.531 8.927 3.739 1.00 0.00 C ATOM 1452 C SER A 95 -12.723 10.457 3.865 1.00 0.00 C ATOM 1453 O SER A 95 -13.615 11.033 3.235 1.00 0.00 O ATOM 1454 CB SER A 95 -13.888 8.213 3.797 1.00 0.00 C ATOM 1455 OG SER A 95 -14.535 8.229 2.545 1.00 0.00 O ATOM 0 H SER A 95 -12.208 7.632 5.322 1.00 0.00 H new ATOM 0 HA SER A 95 -12.027 8.800 2.781 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.744 7.182 4.120 1.00 0.00 H new ATOM 0 HB3 SER A 95 -14.522 8.695 4.541 1.00 0.00 H new ATOM 0 HG SER A 95 -14.538 9.142 2.190 1.00 0.00 H new ATOM 1461 N LEU A 96 -11.964 11.106 4.745 1.00 0.00 N ATOM 1462 CA LEU A 96 -11.968 12.536 5.042 1.00 0.00 C ATOM 1463 C LEU A 96 -10.624 13.231 4.754 1.00 0.00 C ATOM 1464 O LEU A 96 -10.449 14.408 5.080 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.763 12.853 6.329 1.00 0.00 C ATOM 1466 CG LEU A 96 -12.277 12.172 7.610 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -10.777 12.311 7.542 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -12.855 12.839 8.859 1.00 0.00 C ATOM 0 H LEU A 96 -11.278 10.608 5.312 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.568 13.072 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.744 13.931 6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -13.804 12.573 6.166 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.597 11.132 7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.329 11.851 8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.406 11.816 6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.511 13.367 7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.487 12.327 9.748 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.548 13.884 8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.943 12.781 8.832 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.657 12.491 4.210 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.280 12.895 4.063 1.00 0.00 C ATOM 1482 C HIS A 97 -7.908 13.035 2.588 1.00 0.00 C ATOM 1483 O HIS A 97 -8.188 12.140 1.792 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.422 11.812 4.731 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.243 12.397 5.434 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -4.960 12.496 4.963 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -6.306 13.038 6.635 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.266 13.213 5.845 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -5.036 13.582 6.892 1.00 0.00 N ATOM 0 H HIS A 97 -9.832 11.554 3.847 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.115 13.867 4.529 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.030 11.254 5.443 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.081 11.102 3.978 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.174 13.114 7.273 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.222 13.467 5.737 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.755 14.138 7.699 1.00 0.00 H new ATOM 1497 N VAL A 98 -7.137 14.072 2.247 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.563 14.252 0.915 1.00 0.00 C ATOM 1499 C VAL A 98 -5.727 13.034 0.513 1.00 0.00 C ATOM 1500 O VAL A 98 -5.619 12.713 -0.662 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.749 15.565 0.869 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.382 15.463 1.562 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -5.545 16.046 -0.569 1.00 0.00 C ATOM 0 H VAL A 98 -6.892 14.818 2.898 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.367 14.334 0.183 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.347 16.289 1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.866 16.420 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.524 15.204 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.784 14.692 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.969 16.971 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.006 15.286 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.515 16.224 -1.034 1.00 0.00 H new ATOM 1513 N SER A 99 -5.146 12.334 1.487 1.00 0.00 N ATOM 1514 CA SER A 99 -4.372 11.133 1.240 1.00 0.00 C ATOM 1515 C SER A 99 -5.249 10.003 0.666 1.00 0.00 C ATOM 1516 O SER A 99 -4.745 9.199 -0.116 1.00 0.00 O ATOM 1517 CB SER A 99 -3.607 10.776 2.519 1.00 0.00 C ATOM 1518 OG SER A 99 -2.874 11.904 2.959 1.00 0.00 O ATOM 0 H SER A 99 -5.204 12.591 2.472 1.00 0.00 H new ATOM 0 HA SER A 99 -3.629 11.303 0.461 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.303 10.456 3.295 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.932 9.941 2.331 1.00 0.00 H new ATOM 0 HG SER A 99 -3.396 12.393 3.629 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.554 9.970 0.962 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.514 9.096 0.292 1.00 0.00 C ATOM 1526 C GLY A 100 -7.723 9.560 -1.147 1.00 0.00 C ATOM 1527 O GLY A 100 -7.635 8.757 -2.074 1.00 0.00 O ATOM 0 H GLY A 100 -6.974 10.558 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.152 8.068 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.463 9.105 0.828 1.00 0.00 H new ATOM 1531 N GLU A 101 -7.924 10.865 -1.353 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.059 11.444 -2.689 1.00 0.00 C ATOM 1533 C GLU A 101 -6.805 11.222 -3.540 1.00 0.00 C ATOM 1534 O GLU A 101 -6.884 11.184 -4.762 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.339 12.948 -2.620 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.544 13.307 -1.749 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.059 14.683 -2.141 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -9.455 15.691 -1.708 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -11.032 14.751 -2.927 1.00 0.00 O ATOM 0 H GLU A 101 -7.997 11.547 -0.598 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.902 10.933 -3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.456 13.456 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.505 13.325 -3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.331 12.563 -1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.261 13.299 -0.696 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.638 11.080 -2.918 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.378 10.753 -3.562 1.00 0.00 C ATOM 1548 C GLN A 102 -4.331 9.260 -3.918 1.00 0.00 C ATOM 1549 O GLN A 102 -3.885 8.910 -5.013 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.231 11.213 -2.648 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.060 12.735 -2.775 1.00 0.00 C ATOM 1552 CD GLN A 102 -2.301 13.456 -1.659 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -2.199 13.021 -0.518 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -1.721 14.602 -1.968 1.00 0.00 N ATOM 0 H GLN A 102 -5.545 11.195 -1.909 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.271 11.280 -4.510 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.445 10.945 -1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.306 10.707 -2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.548 12.939 -3.716 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.052 13.180 -2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.799 14.974 -2.914 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.195 15.115 -1.260 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.803 8.378 -3.033 1.00 0.00 N ATOM 1564 CA LEU A 103 -4.940 6.944 -3.305 1.00 0.00 C ATOM 1565 C LEU A 103 -5.919 6.657 -4.446 1.00 0.00 C ATOM 1566 O LEU A 103 -5.759 5.649 -5.132 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.402 6.213 -2.025 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.832 4.799 -1.853 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.326 4.680 -1.968 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.185 4.232 -0.474 1.00 0.00 C ATOM 0 H LEU A 103 -5.105 8.643 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.962 6.577 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.120 6.812 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.490 6.153 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.286 4.251 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.032 3.640 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.008 5.020 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.853 5.295 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.770 3.229 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.768 4.875 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.269 4.189 -0.365 1.00 0.00 H new ATOM 1582 N SER A 104 -6.893 7.543 -4.675 1.00 0.00 N ATOM 1583 CA SER A 104 -7.892 7.503 -5.745 1.00 0.00 C ATOM 1584 C SER A 104 -7.259 7.064 -7.063 1.00 0.00 C ATOM 1585 O SER A 104 -7.664 6.070 -7.667 1.00 0.00 O ATOM 1586 CB SER A 104 -8.484 8.917 -5.901 1.00 0.00 C ATOM 1587 OG SER A 104 -9.613 9.015 -6.743 1.00 0.00 O ATOM 0 H SER A 104 -7.012 8.361 -4.078 1.00 0.00 H new ATOM 0 HA SER A 104 -8.671 6.785 -5.489 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.756 9.289 -4.913 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.707 9.577 -6.287 1.00 0.00 H new ATOM 0 HG SER A 104 -9.916 9.946 -6.777 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.207 7.777 -7.475 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.477 7.609 -8.730 1.00 0.00 C ATOM 1595 C GLN A 105 -4.818 6.235 -8.882 1.00 0.00 C ATOM 1596 O GLN A 105 -4.215 5.945 -9.916 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.411 8.713 -8.808 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.041 10.067 -9.181 1.00 0.00 C ATOM 1599 CD GLN A 105 -5.762 10.762 -8.040 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -6.907 11.176 -8.171 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -5.147 10.881 -6.882 1.00 0.00 N ATOM 0 H GLN A 105 -5.821 8.531 -6.906 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.196 7.682 -9.546 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.900 8.798 -7.849 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.657 8.443 -9.548 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.258 10.727 -9.555 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.745 9.913 -9.999 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.193 10.536 -6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.624 11.318 -6.094 1.00 0.00 H new ATOM 1610 N LEU A 106 -4.890 5.414 -7.838 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.305 4.104 -7.703 1.00 0.00 C ATOM 1612 C LEU A 106 -5.363 3.128 -7.181 1.00 0.00 C ATOM 1613 O LEU A 106 -5.054 2.219 -6.409 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.118 4.184 -6.743 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.039 5.220 -7.082 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.006 5.100 -5.982 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.321 4.993 -8.413 1.00 0.00 C ATOM 0 H LEU A 106 -5.405 5.681 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.951 3.746 -8.670 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.499 4.401 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.647 3.202 -6.698 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.522 6.193 -7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.201 5.814 -6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.473 5.311 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.599 4.089 -5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.578 5.776 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.827 4.021 -8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.046 5.020 -9.227 1.00 0.00 H new ATOM 1629 N THR A 107 -6.626 3.315 -7.570 1.00 0.00 N ATOM 1630 CA THR A 107 -7.772 2.462 -7.238 1.00 0.00 C ATOM 1631 C THR A 107 -8.107 2.433 -5.732 1.00 0.00 C ATOM 1632 O THR A 107 -8.890 1.588 -5.299 1.00 0.00 O ATOM 1633 CB THR A 107 -7.627 1.061 -7.887 1.00 0.00 C ATOM 1634 OG1 THR A 107 -6.532 0.320 -7.401 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.431 1.123 -9.406 1.00 0.00 C ATOM 0 H THR A 107 -6.892 4.107 -8.156 1.00 0.00 H new ATOM 0 HA THR A 107 -8.656 2.920 -7.683 1.00 0.00 H new ATOM 0 HB THR A 107 -8.567 0.577 -7.623 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.098 0.815 -6.675 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.336 0.112 -9.802 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.290 1.613 -9.864 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.527 1.688 -9.633 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.517 3.340 -4.945 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.639 3.457 -3.499 1.00 0.00 C ATOM 1645 C GLY A 108 -7.008 2.292 -2.717 1.00 0.00 C ATOM 1646 O GLY A 108 -7.282 2.144 -1.527 1.00 0.00 O ATOM 0 H GLY A 108 -6.903 4.056 -5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.172 4.389 -3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.695 3.525 -3.239 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.130 1.481 -3.320 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.470 0.363 -2.641 1.00 0.00 C ATOM 1652 C VAL A 109 -4.060 0.191 -3.224 1.00 0.00 C ATOM 1653 O VAL A 109 -3.901 -0.089 -4.416 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.374 -0.895 -2.707 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.739 -1.320 -4.125 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.785 -2.092 -1.966 1.00 0.00 C ATOM 0 H VAL A 109 -5.857 1.584 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.332 0.556 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.288 -0.580 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.372 -2.206 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.276 -0.511 -4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.830 -1.547 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.464 -2.941 -2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.822 -2.353 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.648 -1.838 -0.915 1.00 0.00 H new ATOM 1666 N ALA A 110 -3.022 0.412 -2.412 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.624 0.307 -2.816 1.00 0.00 C ATOM 1668 C ALA A 110 -0.746 -0.205 -1.668 1.00 0.00 C ATOM 1669 O ALA A 110 -1.216 -0.356 -0.544 1.00 0.00 O ATOM 1670 CB ALA A 110 -1.163 1.676 -3.311 1.00 0.00 C ATOM 0 H ALA A 110 -3.137 0.675 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.528 -0.421 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -0.119 1.619 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.775 1.981 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.266 2.407 -2.509 1.00 0.00 H new ATOM 1676 N ALA A 111 0.521 -0.532 -1.915 1.00 0.00 N ATOM 1677 CA ALA A 111 1.444 -0.974 -0.881 1.00 0.00 C ATOM 1678 C ALA A 111 2.890 -0.817 -1.350 1.00 0.00 C ATOM 1679 O ALA A 111 3.204 -1.041 -2.522 1.00 0.00 O ATOM 1680 CB ALA A 111 1.189 -2.449 -0.540 1.00 0.00 C ATOM 0 H ALA A 111 0.935 -0.496 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 111 1.282 -0.358 0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.886 -2.769 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.167 -2.568 -0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.333 -3.059 -1.432 1.00 0.00 H new ATOM 1686 N ILE A 112 3.763 -0.470 -0.411 1.00 0.00 N ATOM 1687 CA ILE A 112 5.193 -0.320 -0.601 1.00 0.00 C ATOM 1688 C ILE A 112 5.833 -1.688 -0.471 1.00 0.00 C ATOM 1689 O ILE A 112 5.443 -2.483 0.392 1.00 0.00 O ATOM 1690 CB ILE A 112 5.781 0.637 0.458 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.115 2.019 0.341 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.312 0.745 0.288 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.460 2.955 1.505 1.00 0.00 C ATOM 0 H ILE A 112 3.474 -0.277 0.548 1.00 0.00 H new ATOM 0 HA ILE A 112 5.393 0.101 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 112 5.578 0.240 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.422 2.485 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.034 1.891 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.715 1.423 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.762 -0.240 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.542 1.129 -0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.959 3.913 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.128 2.508 2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.538 3.111 1.539 1.00 0.00 H new ATOM 1705 N LEU A 113 6.871 -1.916 -1.271 1.00 0.00 N ATOM 1706 CA LEU A 113 7.597 -3.165 -1.303 1.00 0.00 C ATOM 1707 C LEU A 113 9.017 -2.940 -0.807 1.00 0.00 C ATOM 1708 O LEU A 113 9.626 -1.894 -1.052 1.00 0.00 O ATOM 1709 CB LEU A 113 7.606 -3.749 -2.717 1.00 0.00 C ATOM 1710 CG LEU A 113 6.230 -3.759 -3.411 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.340 -4.153 -4.879 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.275 -4.718 -2.721 1.00 0.00 C ATOM 0 H LEU A 113 7.231 -1.220 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 113 7.100 -3.881 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.304 -3.177 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.984 -4.770 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 113 5.843 -2.742 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.349 -4.148 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.981 -3.441 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.769 -5.152 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.313 -4.704 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.687 -5.727 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.139 -4.413 -1.684 1.00 0.00 H new ATOM 1724 N ARG A 114 9.554 -3.951 -0.132 1.00 0.00 N ATOM 1725 CA ARG A 114 10.925 -3.988 0.351 1.00 0.00 C ATOM 1726 C ARG A 114 11.889 -4.151 -0.806 1.00 0.00 C ATOM 1727 O ARG A 114 12.893 -3.454 -0.876 1.00 0.00 O ATOM 1728 CB ARG A 114 11.085 -5.115 1.386 1.00 0.00 C ATOM 1729 CG ARG A 114 10.236 -4.791 2.615 1.00 0.00 C ATOM 1730 CD ARG A 114 10.459 -5.708 3.807 1.00 0.00 C ATOM 1731 NE ARG A 114 9.837 -5.110 4.995 1.00 0.00 N ATOM 1732 CZ ARG A 114 9.732 -5.657 6.204 1.00 0.00 C ATOM 1733 NH1 ARG A 114 10.133 -6.899 6.451 1.00 0.00 N ATOM 1734 NH2 ARG A 114 9.224 -4.916 7.174 1.00 0.00 N ATOM 0 H ARG A 114 9.028 -4.793 0.100 1.00 0.00 H new ATOM 0 HA ARG A 114 11.160 -3.043 0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.775 -6.067 0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.132 -5.219 1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.442 -3.765 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.184 -4.834 2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 114 10.029 -6.690 3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.526 -5.855 3.974 1.00 0.00 H new ATOM 0 HE ARG A 114 9.443 -4.176 4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 114 10.535 -7.463 5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.038 -7.288 7.389 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.928 -3.959 6.983 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.128 -5.302 8.113 1.00 0.00 H new ATOM 1748 N PHE A 115 11.559 -5.025 -1.746 1.00 0.00 N ATOM 1749 CA PHE A 115 12.376 -5.362 -2.895 1.00 0.00 C ATOM 1750 C PHE A 115 11.507 -5.244 -4.145 1.00 0.00 C ATOM 1751 O PHE A 115 10.278 -5.297 -4.037 1.00 0.00 O ATOM 1752 CB PHE A 115 12.963 -6.768 -2.708 1.00 0.00 C ATOM 1753 CG PHE A 115 12.010 -7.801 -2.146 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.900 -7.928 -0.750 1.00 0.00 C ATOM 1755 CD2 PHE A 115 11.265 -8.642 -2.996 1.00 0.00 C ATOM 1756 CE1 PHE A 115 11.086 -8.921 -0.190 1.00 0.00 C ATOM 1757 CE2 PHE A 115 10.477 -9.663 -2.434 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.393 -9.798 -1.035 1.00 0.00 C ATOM 0 H PHE A 115 10.678 -5.538 -1.725 1.00 0.00 H new ATOM 0 HA PHE A 115 13.220 -4.680 -3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.328 -7.122 -3.672 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.827 -6.698 -2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 115 12.447 -7.256 -0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 115 11.298 -8.504 -4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 115 10.993 -9.010 0.882 1.00 0.00 H new ATOM 0 HE2 PHE A 115 9.937 -10.343 -3.076 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.789 -10.585 -0.609 1.00 0.00 H new ATOM 1768 N PRO A 116 12.115 -5.053 -5.327 1.00 0.00 N ATOM 1769 CA PRO A 116 11.392 -4.976 -6.577 1.00 0.00 C ATOM 1770 C PRO A 116 10.859 -6.374 -6.867 1.00 0.00 C ATOM 1771 O PRO A 116 11.634 -7.290 -7.158 1.00 0.00 O ATOM 1772 CB PRO A 116 12.399 -4.439 -7.598 1.00 0.00 C ATOM 1773 CG PRO A 116 13.767 -4.844 -7.059 1.00 0.00 C ATOM 1774 CD PRO A 116 13.550 -5.029 -5.558 1.00 0.00 C ATOM 0 HA PRO A 116 10.527 -4.312 -6.585 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.223 -4.864 -8.586 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.320 -3.357 -7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.120 -5.764 -7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.515 -4.077 -7.260 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.010 -5.956 -5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.015 -4.217 -5.000 1.00 0.00 H new ATOM 1782 N VAL A 117 9.550 -6.568 -6.712 1.00 0.00 N ATOM 1783 CA VAL A 117 8.903 -7.860 -6.909 1.00 0.00 C ATOM 1784 C VAL A 117 9.219 -8.304 -8.345 1.00 0.00 C ATOM 1785 O VAL A 117 9.201 -7.462 -9.244 1.00 0.00 O ATOM 1786 CB VAL A 117 7.388 -7.725 -6.640 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.565 -8.958 -7.049 1.00 0.00 C ATOM 1788 CG2 VAL A 117 7.091 -7.479 -5.153 1.00 0.00 C ATOM 0 H VAL A 117 8.905 -5.825 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 117 9.270 -8.617 -6.216 1.00 0.00 H new ATOM 0 HB VAL A 117 7.094 -6.875 -7.256 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.512 -8.783 -6.827 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.686 -9.138 -8.117 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.913 -9.828 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.015 -7.390 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.469 -8.314 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.578 -6.558 -4.832 1.00 0.00 H new