USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 25 MET CE :methyl 159:sc= -1.09 (180deg=-1.99) USER MOD Set 1.2: A 45 MET CE :methyl -116:sc= -3.61 (180deg=-5.26!) USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 51 CYS SG : rot 119:sc= -0.863 USER MOD Set 3.1: A 16 ASN : amide:sc= -1.42 K(o=-2.5,f=-1.6) USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 55 THR OG1 : rot -170:sc= -1.09 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.016) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.05 K(o=-1,f=-2.2!) USER MOD Single : A 56 TYR OH : rot -15:sc= 0.435 USER MOD Single : A 58 LYS NZ :NH3+ -107:sc= -1.7! (180deg=-4.67!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.0338 X(o=-0.034,f=-0.52) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0285 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -153:sc=0.000699 (180deg=-0.0595) USER MOD Single : A 82 ASN : amide:sc=-0.00915 X(o=-0.0091,f=-0.0083) USER MOD ----------------------------------------------------------------- ATOM 206 N ASN A 16 6.651 7.534 -1.485 1.00 0.00 N ATOM 207 CA ASN A 16 7.523 6.511 -2.050 1.00 0.00 C ATOM 208 C ASN A 16 7.275 5.158 -1.388 1.00 0.00 C ATOM 209 O ASN A 16 7.077 4.149 -2.066 1.00 0.00 O ATOM 210 CB ASN A 16 8.990 6.912 -1.882 1.00 0.00 C ATOM 211 CG ASN A 16 9.356 7.173 -0.434 1.00 0.00 C ATOM 212 OD1 ASN A 16 8.634 7.863 0.286 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.484 6.621 -0.001 1.00 0.00 N ATOM 0 HA ASN A 16 7.297 6.423 -3.113 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.627 6.122 -2.278 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.189 7.807 -2.471 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.783 6.762 0.964 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.051 6.056 -0.633 1.00 0.00 H new ATOM 220 N THR A 17 7.287 5.145 -0.059 1.00 0.00 N ATOM 221 CA THR A 17 7.064 3.918 0.695 1.00 0.00 C ATOM 222 C THR A 17 5.575 3.649 0.880 1.00 0.00 C ATOM 223 O THR A 17 4.762 4.574 0.879 1.00 0.00 O ATOM 224 CB THR A 17 7.739 3.979 2.079 1.00 0.00 C ATOM 225 OG1 THR A 17 8.964 4.716 1.995 1.00 0.00 O ATOM 226 CG2 THR A 17 8.018 2.580 2.607 1.00 0.00 C ATOM 0 H THR A 17 7.449 5.971 0.517 1.00 0.00 H new ATOM 0 HA THR A 17 7.508 3.107 0.118 1.00 0.00 H new ATOM 0 HB THR A 17 7.060 4.481 2.768 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.386 4.752 2.879 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.495 2.649 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.080 2.032 2.698 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.679 2.056 1.917 1.00 0.00 H new ATOM 234 N LEU A 18 5.224 2.378 1.040 1.00 0.00 N ATOM 235 CA LEU A 18 3.831 1.987 1.227 1.00 0.00 C ATOM 236 C LEU A 18 3.698 0.973 2.359 1.00 0.00 C ATOM 237 O LEU A 18 4.463 0.011 2.438 1.00 0.00 O ATOM 238 CB LEU A 18 3.268 1.399 -0.068 1.00 0.00 C ATOM 239 CG LEU A 18 3.694 2.094 -1.362 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.515 1.163 -2.551 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.903 3.378 -1.563 1.00 0.00 C ATOM 0 H LEU A 18 5.884 1.601 1.044 1.00 0.00 H new ATOM 0 HA LEU A 18 3.261 2.878 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.565 0.352 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.180 1.419 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 18 4.750 2.351 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.823 1.674 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.126 0.272 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.467 0.875 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.219 3.859 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.840 3.145 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.082 4.051 -0.725 1.00 0.00 H new ATOM 253 N TYR A 19 2.721 1.194 3.231 1.00 0.00 N ATOM 254 CA TYR A 19 2.487 0.300 4.359 1.00 0.00 C ATOM 255 C TYR A 19 1.608 -0.878 3.948 1.00 0.00 C ATOM 256 O TYR A 19 0.414 -0.717 3.695 1.00 0.00 O ATOM 257 CB TYR A 19 1.832 1.061 5.513 1.00 0.00 C ATOM 258 CG TYR A 19 1.885 0.324 6.832 1.00 0.00 C ATOM 259 CD1 TYR A 19 0.895 -0.586 7.183 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.926 0.537 7.728 1.00 0.00 C ATOM 261 CE1 TYR A 19 0.939 -1.261 8.387 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.979 -0.135 8.934 1.00 0.00 C ATOM 263 CZ TYR A 19 1.983 -1.032 9.259 1.00 0.00 C ATOM 264 OH TYR A 19 2.031 -1.704 10.459 1.00 0.00 O ATOM 0 H TYR A 19 2.078 1.984 3.179 1.00 0.00 H new ATOM 0 HA TYR A 19 3.451 -0.087 4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.324 2.027 5.626 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.791 1.262 5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.077 -0.769 6.502 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.707 1.240 7.477 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.161 -1.964 8.644 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.796 0.041 9.618 1.00 0.00 H new ATOM 0 HH TYR A 19 2.830 -1.430 10.956 1.00 0.00 H new ATOM 274 N VAL A 20 2.208 -2.062 3.885 1.00 0.00 N ATOM 275 CA VAL A 20 1.481 -3.268 3.507 1.00 0.00 C ATOM 276 C VAL A 20 1.217 -4.153 4.720 1.00 0.00 C ATOM 277 O VAL A 20 2.025 -4.212 5.647 1.00 0.00 O ATOM 278 CB VAL A 20 2.253 -4.081 2.451 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.387 -5.205 1.903 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.736 -3.173 1.329 1.00 0.00 C ATOM 0 H VAL A 20 3.196 -2.212 4.091 1.00 0.00 H new ATOM 0 HA VAL A 20 0.531 -2.945 3.082 1.00 0.00 H new ATOM 0 HB VAL A 20 3.125 -4.527 2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.950 -5.768 1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.096 -5.869 2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.494 -4.784 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.280 -3.764 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.879 -2.696 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.395 -2.408 1.739 1.00 0.00 H new ATOM 290 N TYR A 21 0.080 -4.841 4.706 1.00 0.00 N ATOM 291 CA TYR A 21 -0.292 -5.723 5.806 1.00 0.00 C ATOM 292 C TYR A 21 -0.911 -7.015 5.283 1.00 0.00 C ATOM 293 O TYR A 21 -1.817 -6.991 4.451 1.00 0.00 O ATOM 294 CB TYR A 21 -1.275 -5.017 6.743 1.00 0.00 C ATOM 295 CG TYR A 21 -1.918 -5.940 7.753 1.00 0.00 C ATOM 296 CD1 TYR A 21 -3.004 -6.734 7.404 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.441 -6.018 9.055 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.596 -7.578 8.324 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.025 -6.861 9.981 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.102 -7.639 9.610 1.00 0.00 C ATOM 301 OH TYR A 21 -3.688 -8.478 10.530 1.00 0.00 O ATOM 0 H TYR A 21 -0.599 -4.805 3.946 1.00 0.00 H new ATOM 0 HA TYR A 21 0.613 -5.973 6.360 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.751 -4.221 7.272 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.056 -4.544 6.147 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.392 -6.691 6.397 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.599 -5.409 9.349 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.441 -8.187 8.037 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.641 -6.910 10.989 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.219 -8.402 11.387 1.00 0.00 H new ATOM 311 N GLY A 22 -0.413 -8.145 5.778 1.00 0.00 N ATOM 312 CA GLY A 22 -0.928 -9.432 5.350 1.00 0.00 C ATOM 313 C GLY A 22 -0.974 -10.443 6.479 1.00 0.00 C ATOM 314 O GLY A 22 -0.644 -10.122 7.620 1.00 0.00 O ATOM 0 H GLY A 22 0.337 -8.191 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.930 -9.301 4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.304 -9.820 4.544 1.00 0.00 H new ATOM 318 N GLU A 23 -1.385 -11.666 6.160 1.00 0.00 N ATOM 319 CA GLU A 23 -1.475 -12.725 7.158 1.00 0.00 C ATOM 320 C GLU A 23 -0.676 -13.951 6.724 1.00 0.00 C ATOM 321 O GLU A 23 0.151 -14.465 7.478 1.00 0.00 O ATOM 322 CB GLU A 23 -2.936 -13.113 7.393 1.00 0.00 C ATOM 323 CG GLU A 23 -3.747 -12.035 8.093 1.00 0.00 C ATOM 324 CD GLU A 23 -4.872 -12.605 8.935 1.00 0.00 C ATOM 325 OE1 GLU A 23 -4.579 -13.362 9.884 1.00 0.00 O ATOM 326 OE2 GLU A 23 -6.046 -12.295 8.643 1.00 0.00 O ATOM 0 H GLU A 23 -1.661 -11.948 5.219 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.053 -12.348 8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.401 -13.341 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.970 -14.025 7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.087 -11.444 8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.164 -11.357 7.348 1.00 0.00 H new ATOM 333 N ASP A 24 -0.929 -14.413 5.505 1.00 0.00 N ATOM 334 CA ASP A 24 -0.233 -15.578 4.969 1.00 0.00 C ATOM 335 C ASP A 24 0.575 -15.206 3.730 1.00 0.00 C ATOM 336 O ASP A 24 0.544 -15.912 2.723 1.00 0.00 O ATOM 337 CB ASP A 24 -1.234 -16.683 4.628 1.00 0.00 C ATOM 338 CG ASP A 24 -1.608 -17.518 5.837 1.00 0.00 C ATOM 339 OD1 ASP A 24 -0.692 -18.045 6.502 1.00 0.00 O ATOM 340 OD2 ASP A 24 -2.818 -17.645 6.118 1.00 0.00 O ATOM 0 H ASP A 24 -1.611 -13.999 4.869 1.00 0.00 H new ATOM 0 HA ASP A 24 0.454 -15.943 5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.134 -16.236 4.206 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.809 -17.330 3.860 1.00 0.00 H new ATOM 345 N MET A 25 1.296 -14.092 3.813 1.00 0.00 N ATOM 346 CA MET A 25 2.112 -13.627 2.697 1.00 0.00 C ATOM 347 C MET A 25 3.594 -13.653 3.060 1.00 0.00 C ATOM 348 O MET A 25 3.956 -13.673 4.237 1.00 0.00 O ATOM 349 CB MET A 25 1.700 -12.211 2.292 1.00 0.00 C ATOM 350 CG MET A 25 1.215 -11.362 3.456 1.00 0.00 C ATOM 351 SD MET A 25 2.490 -11.101 4.703 1.00 0.00 S ATOM 352 CE MET A 25 2.624 -9.315 4.682 1.00 0.00 C ATOM 0 H MET A 25 1.332 -13.496 4.640 1.00 0.00 H new ATOM 0 HA MET A 25 1.950 -14.300 1.855 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.549 -11.715 1.821 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.910 -12.272 1.543 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.877 -10.396 3.080 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.353 -11.844 3.918 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.069 -8.973 5.616 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.252 -9.007 3.846 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.632 -8.877 4.571 1.00 0.00 H new ATOM 362 N THR A 26 4.448 -13.654 2.042 1.00 0.00 N ATOM 363 CA THR A 26 5.890 -13.679 2.253 1.00 0.00 C ATOM 364 C THR A 26 6.585 -12.599 1.433 1.00 0.00 C ATOM 365 O THR A 26 6.077 -12.138 0.411 1.00 0.00 O ATOM 366 CB THR A 26 6.488 -15.051 1.886 1.00 0.00 C ATOM 367 OG1 THR A 26 5.996 -15.473 0.609 1.00 0.00 O ATOM 368 CG2 THR A 26 6.139 -16.092 2.939 1.00 0.00 C ATOM 0 H THR A 26 4.166 -13.638 1.062 1.00 0.00 H new ATOM 0 HA THR A 26 6.057 -13.490 3.313 1.00 0.00 H new ATOM 0 HB THR A 26 7.573 -14.951 1.842 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.382 -16.345 0.382 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.572 -17.052 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.539 -15.782 3.904 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.056 -16.189 3.010 1.00 0.00 H new ATOM 376 N PRO A 27 7.776 -12.183 1.889 1.00 0.00 N ATOM 377 CA PRO A 27 8.568 -11.153 1.210 1.00 0.00 C ATOM 378 C PRO A 27 8.687 -11.406 -0.288 1.00 0.00 C ATOM 379 O PRO A 27 8.282 -10.577 -1.104 1.00 0.00 O ATOM 380 CB PRO A 27 9.939 -11.259 1.882 1.00 0.00 C ATOM 381 CG PRO A 27 9.657 -11.822 3.232 1.00 0.00 C ATOM 382 CD PRO A 27 8.443 -12.689 3.101 1.00 0.00 C ATOM 0 HA PRO A 27 8.112 -10.167 1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.609 -11.906 1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.422 -10.284 1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.507 -12.401 3.593 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.485 -11.024 3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.712 -13.740 3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.798 -12.608 3.976 1.00 0.00 H new ATOM 390 N THR A 28 9.246 -12.558 -0.647 1.00 0.00 N ATOM 391 CA THR A 28 9.420 -12.920 -2.048 1.00 0.00 C ATOM 392 C THR A 28 8.127 -12.723 -2.831 1.00 0.00 C ATOM 393 O THR A 28 8.151 -12.369 -4.010 1.00 0.00 O ATOM 394 CB THR A 28 9.878 -14.383 -2.197 1.00 0.00 C ATOM 395 OG1 THR A 28 11.146 -14.567 -1.556 1.00 0.00 O ATOM 396 CG2 THR A 28 9.985 -14.770 -3.664 1.00 0.00 C ATOM 0 H THR A 28 9.586 -13.256 0.014 1.00 0.00 H new ATOM 0 HA THR A 28 10.190 -12.262 -2.451 1.00 0.00 H new ATOM 0 HB THR A 28 9.135 -15.023 -1.722 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.430 -15.500 -1.654 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.310 -15.807 -3.744 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.012 -14.657 -4.142 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.710 -14.124 -4.159 1.00 0.00 H new ATOM 404 N LEU A 29 6.998 -12.953 -2.168 1.00 0.00 N ATOM 405 CA LEU A 29 5.694 -12.799 -2.803 1.00 0.00 C ATOM 406 C LEU A 29 5.431 -11.340 -3.161 1.00 0.00 C ATOM 407 O LEU A 29 5.015 -11.028 -4.278 1.00 0.00 O ATOM 408 CB LEU A 29 4.591 -13.315 -1.878 1.00 0.00 C ATOM 409 CG LEU A 29 3.259 -13.656 -2.547 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.381 -14.467 -1.606 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.542 -12.388 -2.986 1.00 0.00 C ATOM 0 H LEU A 29 6.960 -13.246 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 29 5.694 -13.385 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.958 -14.207 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.407 -12.563 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 29 3.463 -14.259 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.437 -14.700 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.891 -15.393 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.185 -13.889 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.596 -12.650 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.350 -11.759 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.165 -11.845 -3.696 1.00 0.00 H new ATOM 423 N LEU A 30 5.678 -10.448 -2.207 1.00 0.00 N ATOM 424 CA LEU A 30 5.471 -9.020 -2.423 1.00 0.00 C ATOM 425 C LEU A 30 6.370 -8.502 -3.540 1.00 0.00 C ATOM 426 O LEU A 30 6.028 -7.542 -4.231 1.00 0.00 O ATOM 427 CB LEU A 30 5.743 -8.245 -1.132 1.00 0.00 C ATOM 428 CG LEU A 30 5.200 -8.870 0.153 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.402 -7.929 1.331 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.728 -9.221 -0.005 1.00 0.00 C ATOM 0 H LEU A 30 6.022 -10.688 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 30 4.433 -8.869 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.821 -8.123 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.318 -7.247 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 30 5.753 -9.789 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.009 -8.391 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.466 -7.728 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.876 -6.993 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.359 -9.665 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.160 -8.317 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.609 -9.933 -0.822 1.00 0.00 H new ATOM 442 N ARG A 31 7.520 -9.144 -3.714 1.00 0.00 N ATOM 443 CA ARG A 31 8.468 -8.749 -4.749 1.00 0.00 C ATOM 444 C ARG A 31 7.836 -8.853 -6.133 1.00 0.00 C ATOM 445 O ARG A 31 7.993 -7.963 -6.968 1.00 0.00 O ATOM 446 CB ARG A 31 9.723 -9.621 -4.682 1.00 0.00 C ATOM 447 CG ARG A 31 10.718 -9.176 -3.623 1.00 0.00 C ATOM 448 CD ARG A 31 12.077 -9.827 -3.828 1.00 0.00 C ATOM 449 NE ARG A 31 12.828 -9.932 -2.579 1.00 0.00 N ATOM 450 CZ ARG A 31 14.095 -10.324 -2.514 1.00 0.00 C ATOM 451 NH1 ARG A 31 14.750 -10.648 -3.621 1.00 0.00 N ATOM 452 NH2 ARG A 31 14.710 -10.394 -1.340 1.00 0.00 N ATOM 0 H ARG A 31 7.818 -9.941 -3.151 1.00 0.00 H new ATOM 0 HA ARG A 31 8.747 -7.710 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.429 -10.651 -4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.213 -9.613 -5.655 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.824 -8.092 -3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.337 -9.430 -2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.942 -10.821 -4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.652 -9.246 -4.549 1.00 0.00 H new ATOM 0 HE ARG A 31 12.353 -9.691 -1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.280 -10.596 -4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.723 -10.949 -3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.209 -10.147 -0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.683 -10.695 -1.291 1.00 0.00 H new ATOM 466 N GLY A 32 7.121 -9.949 -6.371 1.00 0.00 N ATOM 467 CA GLY A 32 6.476 -10.150 -7.656 1.00 0.00 C ATOM 468 C GLY A 32 5.068 -9.591 -7.692 1.00 0.00 C ATOM 469 O GLY A 32 4.450 -9.518 -8.753 1.00 0.00 O ATOM 0 H GLY A 32 6.977 -10.701 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.072 -9.676 -8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.446 -11.216 -7.881 1.00 0.00 H new ATOM 473 N ALA A 33 4.559 -9.197 -6.529 1.00 0.00 N ATOM 474 CA ALA A 33 3.215 -8.641 -6.433 1.00 0.00 C ATOM 475 C ALA A 33 3.237 -7.123 -6.576 1.00 0.00 C ATOM 476 O ALA A 33 2.309 -6.528 -7.123 1.00 0.00 O ATOM 477 CB ALA A 33 2.573 -9.040 -5.112 1.00 0.00 C ATOM 0 H ALA A 33 5.057 -9.253 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 33 2.621 -9.047 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.570 -8.618 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.514 -10.127 -5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.175 -8.661 -4.286 1.00 0.00 H new ATOM 483 N PHE A 34 4.302 -6.502 -6.079 1.00 0.00 N ATOM 484 CA PHE A 34 4.443 -5.052 -6.151 1.00 0.00 C ATOM 485 C PHE A 34 5.271 -4.646 -7.366 1.00 0.00 C ATOM 486 O PHE A 34 5.239 -3.492 -7.794 1.00 0.00 O ATOM 487 CB PHE A 34 5.096 -4.519 -4.874 1.00 0.00 C ATOM 488 CG PHE A 34 4.156 -4.448 -3.704 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.761 -5.601 -3.045 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.668 -3.229 -3.264 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.895 -5.539 -1.970 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.803 -3.160 -2.188 1.00 0.00 C ATOM 493 CZ PHE A 34 2.417 -4.316 -1.540 1.00 0.00 C ATOM 0 H PHE A 34 5.079 -6.980 -5.623 1.00 0.00 H new ATOM 0 HA PHE A 34 3.448 -4.619 -6.251 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.940 -5.158 -4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.497 -3.524 -5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.134 -6.559 -3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.967 -2.321 -3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.592 -6.445 -1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.430 -2.203 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.742 -4.265 -0.698 1.00 0.00 H new ATOM 503 N SER A 35 6.011 -5.602 -7.918 1.00 0.00 N ATOM 504 CA SER A 35 6.851 -5.344 -9.081 1.00 0.00 C ATOM 505 C SER A 35 6.004 -4.933 -10.282 1.00 0.00 C ATOM 506 O SER A 35 6.307 -3.972 -10.988 1.00 0.00 O ATOM 507 CB SER A 35 7.677 -6.585 -9.426 1.00 0.00 C ATOM 508 OG SER A 35 7.886 -6.686 -10.824 1.00 0.00 O ATOM 0 H SER A 35 6.046 -6.563 -7.578 1.00 0.00 H new ATOM 0 HA SER A 35 7.526 -4.524 -8.836 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.638 -6.540 -8.914 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.166 -7.478 -9.066 1.00 0.00 H new ATOM 0 HG SER A 35 8.418 -7.486 -11.018 1.00 0.00 H new ATOM 514 N PRO A 36 4.915 -5.680 -10.520 1.00 0.00 N ATOM 515 CA PRO A 36 4.001 -5.414 -11.635 1.00 0.00 C ATOM 516 C PRO A 36 3.605 -3.944 -11.721 1.00 0.00 C ATOM 517 O PRO A 36 3.157 -3.471 -12.766 1.00 0.00 O ATOM 518 CB PRO A 36 2.781 -6.278 -11.307 1.00 0.00 C ATOM 519 CG PRO A 36 3.316 -7.387 -10.469 1.00 0.00 C ATOM 520 CD PRO A 36 4.493 -6.842 -9.719 1.00 0.00 C ATOM 0 HA PRO A 36 4.456 -5.643 -12.599 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.024 -5.706 -10.770 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.310 -6.658 -12.213 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.554 -7.751 -9.779 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.613 -8.232 -11.091 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.220 -6.551 -8.705 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.290 -7.580 -9.635 1.00 0.00 H new ATOM 528 N PHE A 37 3.773 -3.224 -10.616 1.00 0.00 N ATOM 529 CA PHE A 37 3.433 -1.807 -10.567 1.00 0.00 C ATOM 530 C PHE A 37 4.627 -0.947 -10.970 1.00 0.00 C ATOM 531 O PHE A 37 4.475 0.063 -11.656 1.00 0.00 O ATOM 532 CB PHE A 37 2.963 -1.422 -9.163 1.00 0.00 C ATOM 533 CG PHE A 37 1.599 -1.949 -8.821 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.449 -3.200 -8.244 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.466 -1.194 -9.078 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.195 -3.688 -7.929 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.791 -1.676 -8.764 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.926 -2.925 -8.190 1.00 0.00 C ATOM 0 H PHE A 37 4.143 -3.599 -9.743 1.00 0.00 H new ATOM 0 HA PHE A 37 2.624 -1.628 -11.275 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.681 -1.795 -8.433 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.956 -0.335 -9.076 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.323 -3.801 -8.038 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.566 -0.218 -9.529 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.092 -4.665 -7.479 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.666 -1.077 -8.967 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.907 -3.304 -7.946 1.00 0.00 H new ATOM 548 N GLY A 38 5.816 -1.355 -10.538 1.00 0.00 N ATOM 549 CA GLY A 38 7.019 -0.611 -10.862 1.00 0.00 C ATOM 550 C GLY A 38 8.280 -1.328 -10.423 1.00 0.00 C ATOM 551 O GLY A 38 8.484 -2.496 -10.749 1.00 0.00 O ATOM 0 H GLY A 38 5.968 -2.188 -9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.058 -0.440 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.977 0.368 -10.385 1.00 0.00 H new ATOM 555 N ASN A 39 9.131 -0.625 -9.681 1.00 0.00 N ATOM 556 CA ASN A 39 10.380 -1.202 -9.199 1.00 0.00 C ATOM 557 C ASN A 39 10.488 -1.076 -7.682 1.00 0.00 C ATOM 558 O ASN A 39 10.185 -0.026 -7.113 1.00 0.00 O ATOM 559 CB ASN A 39 11.574 -0.513 -9.864 1.00 0.00 C ATOM 560 CG ASN A 39 12.902 -1.047 -9.363 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.119 -2.258 -9.318 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.798 -0.144 -8.984 1.00 0.00 N ATOM 0 H ASN A 39 8.978 0.344 -9.401 1.00 0.00 H new ATOM 0 HA ASN A 39 10.387 -2.260 -9.460 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.514 -0.650 -10.944 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.522 0.559 -9.676 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.710 -0.444 -8.638 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.575 0.850 -9.038 1.00 0.00 H new ATOM 569 N ILE A 40 10.920 -2.152 -7.034 1.00 0.00 N ATOM 570 CA ILE A 40 11.068 -2.162 -5.584 1.00 0.00 C ATOM 571 C ILE A 40 12.518 -1.914 -5.178 1.00 0.00 C ATOM 572 O ILE A 40 13.365 -2.800 -5.296 1.00 0.00 O ATOM 573 CB ILE A 40 10.598 -3.497 -4.978 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.208 -3.860 -5.506 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.590 -3.417 -3.459 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.786 -5.274 -5.173 1.00 0.00 C ATOM 0 H ILE A 40 11.174 -3.028 -7.490 1.00 0.00 H new ATOM 0 HA ILE A 40 10.442 -1.358 -5.198 1.00 0.00 H new ATOM 0 HB ILE A 40 11.295 -4.280 -5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.478 -3.164 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.194 -3.730 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.255 -4.369 -3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.596 -3.200 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.913 -2.625 -3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.792 -5.462 -5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.495 -5.978 -5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.767 -5.403 -4.091 1.00 0.00 H new ATOM 588 N ILE A 41 12.794 -0.707 -4.698 1.00 0.00 N ATOM 589 CA ILE A 41 14.140 -0.345 -4.272 1.00 0.00 C ATOM 590 C ILE A 41 14.340 -0.625 -2.786 1.00 0.00 C ATOM 591 O ILE A 41 15.471 -0.716 -2.308 1.00 0.00 O ATOM 592 CB ILE A 41 14.437 1.142 -4.546 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.245 2.007 -4.131 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.765 1.353 -6.017 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.548 3.489 -4.127 1.00 0.00 C ATOM 0 H ILE A 41 12.104 0.037 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 41 14.830 -0.958 -4.852 1.00 0.00 H new ATOM 0 HB ILE A 41 15.302 1.441 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.414 1.816 -4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.919 1.708 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.973 2.408 -6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.640 0.761 -6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.917 1.042 -6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.659 4.041 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.358 3.693 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.846 3.802 -5.128 1.00 0.00 H new ATOM 607 N ASP A 42 13.235 -0.763 -2.062 1.00 0.00 N ATOM 608 CA ASP A 42 13.289 -1.036 -0.630 1.00 0.00 C ATOM 609 C ASP A 42 12.069 -1.836 -0.184 1.00 0.00 C ATOM 610 O ASP A 42 10.957 -1.310 -0.121 1.00 0.00 O ATOM 611 CB ASP A 42 13.373 0.272 0.158 1.00 0.00 C ATOM 612 CG ASP A 42 14.023 0.089 1.515 1.00 0.00 C ATOM 613 OD1 ASP A 42 15.267 0.168 1.592 1.00 0.00 O ATOM 614 OD2 ASP A 42 13.289 -0.132 2.501 1.00 0.00 O ATOM 0 H ASP A 42 12.291 -0.690 -2.442 1.00 0.00 H new ATOM 0 HA ASP A 42 14.182 -1.628 -0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.940 1.004 -0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.370 0.678 0.290 1.00 0.00 H new ATOM 619 N LEU A 43 12.284 -3.111 0.124 1.00 0.00 N ATOM 620 CA LEU A 43 11.202 -3.985 0.564 1.00 0.00 C ATOM 621 C LEU A 43 11.587 -4.729 1.838 1.00 0.00 C ATOM 622 O LEU A 43 12.481 -5.576 1.828 1.00 0.00 O ATOM 623 CB LEU A 43 10.849 -4.985 -0.538 1.00 0.00 C ATOM 624 CG LEU A 43 10.079 -6.229 -0.093 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.790 -5.836 0.612 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.784 -7.128 -1.285 1.00 0.00 C ATOM 0 H LEU A 43 13.198 -3.562 0.077 1.00 0.00 H new ATOM 0 HA LEU A 43 10.331 -3.366 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.259 -4.468 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.773 -5.307 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 43 10.699 -6.784 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.256 -6.734 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.024 -5.233 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.165 -5.258 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.236 -8.008 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.184 -6.582 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.721 -7.438 -1.747 1.00 0.00 H new ATOM 638 N SER A 44 10.906 -4.410 2.933 1.00 0.00 N ATOM 639 CA SER A 44 11.177 -5.047 4.216 1.00 0.00 C ATOM 640 C SER A 44 9.904 -5.647 4.805 1.00 0.00 C ATOM 641 O SER A 44 8.813 -5.103 4.637 1.00 0.00 O ATOM 642 CB SER A 44 11.779 -4.036 5.195 1.00 0.00 C ATOM 643 OG SER A 44 13.184 -3.947 5.037 1.00 0.00 O ATOM 0 H SER A 44 10.161 -3.713 2.958 1.00 0.00 H new ATOM 0 HA SER A 44 11.893 -5.852 4.050 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.329 -3.056 5.033 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.543 -4.330 6.218 1.00 0.00 H new ATOM 0 HG SER A 44 13.544 -3.294 5.672 1.00 0.00 H new ATOM 649 N MET A 45 10.053 -6.772 5.497 1.00 0.00 N ATOM 650 CA MET A 45 8.915 -7.446 6.113 1.00 0.00 C ATOM 651 C MET A 45 9.120 -7.594 7.617 1.00 0.00 C ATOM 652 O MET A 45 10.245 -7.773 8.085 1.00 0.00 O ATOM 653 CB MET A 45 8.705 -8.821 5.477 1.00 0.00 C ATOM 654 CG MET A 45 7.800 -8.795 4.256 1.00 0.00 C ATOM 655 SD MET A 45 6.054 -8.941 4.684 1.00 0.00 S ATOM 656 CE MET A 45 5.653 -10.518 3.935 1.00 0.00 C ATOM 0 H MET A 45 10.949 -7.236 5.645 1.00 0.00 H new ATOM 0 HA MET A 45 8.028 -6.836 5.944 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.674 -9.232 5.192 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.279 -9.495 6.220 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.960 -7.866 3.710 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.076 -9.610 3.587 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.919 -10.369 3.143 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.556 -10.961 3.514 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.240 -11.186 4.691 1.00 0.00 H new ATOM 666 N ASP A 46 8.028 -7.519 8.369 1.00 0.00 N ATOM 667 CA ASP A 46 8.088 -7.645 9.820 1.00 0.00 C ATOM 668 C ASP A 46 7.084 -8.681 10.317 1.00 0.00 C ATOM 669 O ASP A 46 5.906 -8.389 10.525 1.00 0.00 O ATOM 670 CB ASP A 46 7.816 -6.294 10.483 1.00 0.00 C ATOM 671 CG ASP A 46 9.076 -5.469 10.654 1.00 0.00 C ATOM 672 OD1 ASP A 46 9.757 -5.207 9.639 1.00 0.00 O ATOM 673 OD2 ASP A 46 9.382 -5.084 11.801 1.00 0.00 O ATOM 0 H ASP A 46 7.090 -7.371 7.997 1.00 0.00 H new ATOM 0 HA ASP A 46 9.090 -7.977 10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.098 -5.736 9.882 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.357 -6.457 11.458 1.00 0.00 H new ATOM 678 N PRO A 47 7.559 -9.920 10.513 1.00 0.00 N ATOM 679 CA PRO A 47 6.719 -11.024 10.987 1.00 0.00 C ATOM 680 C PRO A 47 5.879 -10.634 12.198 1.00 0.00 C ATOM 681 O PRO A 47 4.694 -10.955 12.291 1.00 0.00 O ATOM 682 CB PRO A 47 7.735 -12.104 11.366 1.00 0.00 C ATOM 683 CG PRO A 47 8.927 -11.817 10.520 1.00 0.00 C ATOM 684 CD PRO A 47 8.952 -10.338 10.286 1.00 0.00 C ATOM 0 HA PRO A 47 5.999 -11.342 10.233 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.983 -12.060 12.427 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.343 -13.102 11.172 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.840 -12.144 11.017 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.868 -12.356 9.575 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.636 -9.837 10.971 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.281 -10.099 9.275 1.00 0.00 H new ATOM 692 N PRO A 48 6.504 -9.924 13.150 1.00 0.00 N ATOM 693 CA PRO A 48 5.832 -9.475 14.372 1.00 0.00 C ATOM 694 C PRO A 48 4.487 -8.815 14.085 1.00 0.00 C ATOM 695 O PRO A 48 3.447 -9.273 14.558 1.00 0.00 O ATOM 696 CB PRO A 48 6.811 -8.457 14.962 1.00 0.00 C ATOM 697 CG PRO A 48 8.144 -8.869 14.441 1.00 0.00 C ATOM 698 CD PRO A 48 7.915 -9.506 13.105 1.00 0.00 C ATOM 0 HA PRO A 48 5.605 -10.306 15.040 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.561 -7.442 14.653 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.790 -8.472 16.052 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.805 -8.007 14.349 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.626 -9.569 15.124 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.098 -8.804 12.291 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.579 -10.356 12.949 1.00 0.00 H new ATOM 706 N ARG A 49 4.515 -7.738 13.306 1.00 0.00 N ATOM 707 CA ARG A 49 3.298 -7.016 12.957 1.00 0.00 C ATOM 708 C ARG A 49 2.708 -7.543 11.652 1.00 0.00 C ATOM 709 O ARG A 49 1.714 -7.019 11.152 1.00 0.00 O ATOM 710 CB ARG A 49 3.586 -5.519 12.831 1.00 0.00 C ATOM 711 CG ARG A 49 4.006 -4.867 14.138 1.00 0.00 C ATOM 712 CD ARG A 49 2.808 -4.591 15.033 1.00 0.00 C ATOM 713 NE ARG A 49 2.213 -3.285 14.762 1.00 0.00 N ATOM 714 CZ ARG A 49 0.963 -2.967 15.080 1.00 0.00 C ATOM 715 NH1 ARG A 49 0.181 -3.855 15.677 1.00 0.00 N ATOM 716 NH2 ARG A 49 0.493 -1.758 14.801 1.00 0.00 N ATOM 0 H ARG A 49 5.367 -7.347 12.905 1.00 0.00 H new ATOM 0 HA ARG A 49 2.571 -7.173 13.754 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.373 -5.370 12.091 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.695 -5.017 12.454 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.710 -5.516 14.660 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.528 -3.933 13.929 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.058 -5.369 14.886 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.117 -4.639 16.077 1.00 0.00 H new ATOM 0 HE ARG A 49 2.789 -2.579 14.304 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.539 -4.785 15.894 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.778 -3.608 15.920 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.092 -1.072 14.342 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.467 -1.515 15.046 1.00 0.00 H new ATOM 730 N ASN A 50 3.330 -8.584 11.106 1.00 0.00 N ATOM 731 CA ASN A 50 2.867 -9.181 9.858 1.00 0.00 C ATOM 732 C ASN A 50 2.629 -8.111 8.798 1.00 0.00 C ATOM 733 O ASN A 50 1.649 -8.167 8.054 1.00 0.00 O ATOM 734 CB ASN A 50 1.581 -9.976 10.095 1.00 0.00 C ATOM 735 CG ASN A 50 1.719 -10.974 11.229 1.00 0.00 C ATOM 736 OD1 ASN A 50 2.625 -11.807 11.230 1.00 0.00 O ATOM 737 ND2 ASN A 50 0.817 -10.893 12.200 1.00 0.00 N ATOM 0 H ASN A 50 4.154 -9.031 11.508 1.00 0.00 H new ATOM 0 HA ASN A 50 3.643 -9.857 9.498 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.767 -9.287 10.318 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.310 -10.504 9.181 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.858 -11.538 12.989 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.083 -10.186 12.157 1.00 0.00 H new ATOM 744 N CYS A 51 3.531 -7.138 8.734 1.00 0.00 N ATOM 745 CA CYS A 51 3.419 -6.054 7.765 1.00 0.00 C ATOM 746 C CYS A 51 4.608 -6.054 6.810 1.00 0.00 C ATOM 747 O CYS A 51 5.536 -6.848 6.958 1.00 0.00 O ATOM 748 CB CYS A 51 3.327 -4.707 8.483 1.00 0.00 C ATOM 749 SG CYS A 51 4.729 -4.352 9.569 1.00 0.00 S ATOM 0 H CYS A 51 4.348 -7.078 9.342 1.00 0.00 H new ATOM 0 HA CYS A 51 2.510 -6.211 7.185 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.248 -3.915 7.738 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.410 -4.683 9.072 1.00 0.00 H new ATOM 0 HG CYS A 51 5.340 -3.282 9.154 1.00 0.00 H new ATOM 755 N ALA A 52 4.571 -5.159 5.827 1.00 0.00 N ATOM 756 CA ALA A 52 5.646 -5.056 4.848 1.00 0.00 C ATOM 757 C ALA A 52 5.729 -3.647 4.270 1.00 0.00 C ATOM 758 O ALA A 52 4.710 -3.042 3.934 1.00 0.00 O ATOM 759 CB ALA A 52 5.444 -6.074 3.735 1.00 0.00 C ATOM 0 H ALA A 52 3.809 -4.496 5.688 1.00 0.00 H new ATOM 0 HA ALA A 52 6.588 -5.269 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.254 -5.986 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.442 -7.079 4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.492 -5.887 3.239 1.00 0.00 H new ATOM 765 N PHE A 53 6.947 -3.129 4.158 1.00 0.00 N ATOM 766 CA PHE A 53 7.163 -1.790 3.623 1.00 0.00 C ATOM 767 C PHE A 53 7.800 -1.854 2.238 1.00 0.00 C ATOM 768 O PHE A 53 8.985 -2.158 2.101 1.00 0.00 O ATOM 769 CB PHE A 53 8.050 -0.977 4.568 1.00 0.00 C ATOM 770 CG PHE A 53 7.623 -1.055 6.006 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.534 -0.328 6.460 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.312 -1.854 6.904 1.00 0.00 C ATOM 773 CE1 PHE A 53 6.139 -0.398 7.783 1.00 0.00 C ATOM 774 CE2 PHE A 53 7.921 -1.928 8.228 1.00 0.00 C ATOM 775 CZ PHE A 53 6.834 -1.199 8.668 1.00 0.00 C ATOM 0 H PHE A 53 7.800 -3.616 4.431 1.00 0.00 H new ATOM 0 HA PHE A 53 6.193 -1.300 3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.078 -1.330 4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.044 0.066 4.252 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.988 0.300 5.772 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.164 -2.425 6.566 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.288 0.173 8.124 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.466 -2.556 8.918 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.528 -1.255 9.702 1.00 0.00 H new ATOM 785 N VAL A 54 7.004 -1.566 1.213 1.00 0.00 N ATOM 786 CA VAL A 54 7.490 -1.590 -0.162 1.00 0.00 C ATOM 787 C VAL A 54 7.686 -0.177 -0.700 1.00 0.00 C ATOM 788 O VAL A 54 6.750 0.623 -0.732 1.00 0.00 O ATOM 789 CB VAL A 54 6.519 -2.349 -1.086 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.073 -2.416 -2.502 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.250 -3.745 -0.544 1.00 0.00 C ATOM 0 H VAL A 54 6.020 -1.313 1.309 1.00 0.00 H new ATOM 0 HA VAL A 54 8.449 -2.108 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 54 5.574 -1.807 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.374 -2.956 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.211 -1.406 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.032 -2.935 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.562 -4.267 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.187 -4.299 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.808 -3.671 0.450 1.00 0.00 H new ATOM 801 N THR A 55 8.909 0.125 -1.123 1.00 0.00 N ATOM 802 CA THR A 55 9.230 1.441 -1.660 1.00 0.00 C ATOM 803 C THR A 55 9.397 1.392 -3.174 1.00 0.00 C ATOM 804 O THR A 55 10.130 0.554 -3.701 1.00 0.00 O ATOM 805 CB THR A 55 10.517 2.007 -1.031 1.00 0.00 C ATOM 806 OG1 THR A 55 10.452 1.901 0.396 1.00 0.00 O ATOM 807 CG2 THR A 55 10.720 3.461 -1.428 1.00 0.00 C ATOM 0 H THR A 55 9.695 -0.525 -1.104 1.00 0.00 H new ATOM 0 HA THR A 55 8.395 2.095 -1.410 1.00 0.00 H new ATOM 0 HB THR A 55 11.362 1.425 -1.400 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.194 2.401 0.795 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.635 3.838 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.798 3.534 -2.513 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.872 4.054 -1.085 1.00 0.00 H new ATOM 815 N TYR A 56 8.714 2.295 -3.870 1.00 0.00 N ATOM 816 CA TYR A 56 8.786 2.352 -5.325 1.00 0.00 C ATOM 817 C TYR A 56 9.782 3.415 -5.779 1.00 0.00 C ATOM 818 O TYR A 56 9.889 4.480 -5.172 1.00 0.00 O ATOM 819 CB TYR A 56 7.405 2.647 -5.914 1.00 0.00 C ATOM 820 CG TYR A 56 6.486 1.446 -5.932 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.885 0.251 -6.517 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.219 1.508 -5.365 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.049 -0.849 -6.537 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.377 0.413 -5.379 1.00 0.00 C ATOM 825 CZ TYR A 56 4.796 -0.763 -5.966 1.00 0.00 C ATOM 826 OH TYR A 56 3.959 -1.855 -5.983 1.00 0.00 O ATOM 0 H TYR A 56 8.105 2.997 -3.450 1.00 0.00 H new ATOM 0 HA TYR A 56 9.127 1.382 -5.685 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.936 3.444 -5.338 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.525 3.018 -6.932 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.866 0.180 -6.964 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.887 2.427 -4.906 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.374 -1.770 -6.997 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.396 0.477 -4.933 1.00 0.00 H new ATOM 0 HH TYR A 56 4.293 -2.513 -6.628 1.00 0.00 H new ATOM 836 N GLU A 57 10.508 3.116 -6.852 1.00 0.00 N ATOM 837 CA GLU A 57 11.496 4.045 -7.388 1.00 0.00 C ATOM 838 C GLU A 57 10.867 5.408 -7.664 1.00 0.00 C ATOM 839 O GLU A 57 11.547 6.434 -7.643 1.00 0.00 O ATOM 840 CB GLU A 57 12.111 3.486 -8.673 1.00 0.00 C ATOM 841 CG GLU A 57 13.331 4.256 -9.149 1.00 0.00 C ATOM 842 CD GLU A 57 14.624 3.714 -8.573 1.00 0.00 C ATOM 843 OE1 GLU A 57 15.041 2.611 -8.986 1.00 0.00 O ATOM 844 OE2 GLU A 57 15.219 4.391 -7.709 1.00 0.00 O ATOM 0 H GLU A 57 10.431 2.239 -7.367 1.00 0.00 H new ATOM 0 HA GLU A 57 12.281 4.170 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.390 2.445 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.357 3.494 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.378 4.218 -10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.225 5.305 -8.871 1.00 0.00 H new ATOM 851 N LYS A 58 9.564 5.411 -7.922 1.00 0.00 N ATOM 852 CA LYS A 58 8.841 6.646 -8.201 1.00 0.00 C ATOM 853 C LYS A 58 7.625 6.782 -7.291 1.00 0.00 C ATOM 854 O LYS A 58 7.235 5.831 -6.615 1.00 0.00 O ATOM 855 CB LYS A 58 8.401 6.683 -9.667 1.00 0.00 C ATOM 856 CG LYS A 58 9.553 6.571 -10.650 1.00 0.00 C ATOM 857 CD LYS A 58 10.073 7.939 -11.059 1.00 0.00 C ATOM 858 CE LYS A 58 11.128 8.447 -10.087 1.00 0.00 C ATOM 859 NZ LYS A 58 10.530 9.271 -9.001 1.00 0.00 N ATOM 0 H LYS A 58 8.986 4.571 -7.944 1.00 0.00 H new ATOM 0 HA LYS A 58 9.513 7.483 -8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.699 5.869 -9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.864 7.613 -9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.361 5.993 -10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.225 6.026 -11.535 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.497 7.884 -12.062 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.245 8.647 -11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.658 7.600 -9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.865 9.040 -10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.762 10.273 -9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.497 9.150 -9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.913 8.966 -8.083 1.00 0.00 H new ATOM 873 N MET A 59 7.030 7.970 -7.280 1.00 0.00 N ATOM 874 CA MET A 59 5.856 8.229 -6.454 1.00 0.00 C ATOM 875 C MET A 59 4.586 7.744 -7.147 1.00 0.00 C ATOM 876 O MET A 59 3.693 7.190 -6.507 1.00 0.00 O ATOM 877 CB MET A 59 5.743 9.723 -6.145 1.00 0.00 C ATOM 878 CG MET A 59 5.580 10.590 -7.383 1.00 0.00 C ATOM 879 SD MET A 59 6.142 12.283 -7.125 1.00 0.00 S ATOM 880 CE MET A 59 7.891 12.117 -7.474 1.00 0.00 C ATOM 0 H MET A 59 7.341 8.768 -7.833 1.00 0.00 H new ATOM 0 HA MET A 59 5.972 7.680 -5.520 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.892 9.885 -5.483 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.633 10.042 -5.603 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.139 10.148 -8.208 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.531 10.601 -7.679 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.379 13.085 -7.356 1.00 0.00 H new ATOM 0 HE2 MET A 59 8.334 11.401 -6.782 1.00 0.00 H new ATOM 0 HE3 MET A 59 8.026 11.764 -8.496 1.00 0.00 H new ATOM 890 N GLU A 60 4.514 7.957 -8.457 1.00 0.00 N ATOM 891 CA GLU A 60 3.353 7.541 -9.235 1.00 0.00 C ATOM 892 C GLU A 60 2.882 6.153 -8.810 1.00 0.00 C ATOM 893 O GLU A 60 1.683 5.905 -8.682 1.00 0.00 O ATOM 894 CB GLU A 60 3.684 7.545 -10.729 1.00 0.00 C ATOM 895 CG GLU A 60 4.924 6.741 -11.079 1.00 0.00 C ATOM 896 CD GLU A 60 5.285 6.836 -12.549 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.363 6.806 -13.390 1.00 0.00 O ATOM 898 OE2 GLU A 60 6.491 6.940 -12.857 1.00 0.00 O ATOM 0 H GLU A 60 5.245 8.415 -9.001 1.00 0.00 H new ATOM 0 HA GLU A 60 2.548 8.252 -9.047 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.834 7.145 -11.282 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.823 8.574 -11.059 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.763 7.094 -10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.761 5.696 -10.815 1.00 0.00 H new ATOM 905 N SER A 61 3.834 5.252 -8.594 1.00 0.00 N ATOM 906 CA SER A 61 3.518 3.887 -8.189 1.00 0.00 C ATOM 907 C SER A 61 2.844 3.870 -6.820 1.00 0.00 C ATOM 908 O SER A 61 1.819 3.216 -6.629 1.00 0.00 O ATOM 909 CB SER A 61 4.788 3.035 -8.155 1.00 0.00 C ATOM 910 OG SER A 61 5.211 2.699 -9.465 1.00 0.00 O ATOM 0 H SER A 61 4.831 5.442 -8.693 1.00 0.00 H new ATOM 0 HA SER A 61 2.828 3.467 -8.921 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.581 3.579 -7.642 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.604 2.125 -7.584 1.00 0.00 H new ATOM 0 HG SER A 61 6.025 2.156 -9.417 1.00 0.00 H new ATOM 916 N ALA A 62 3.428 4.594 -5.871 1.00 0.00 N ATOM 917 CA ALA A 62 2.885 4.664 -4.520 1.00 0.00 C ATOM 918 C ALA A 62 1.363 4.761 -4.545 1.00 0.00 C ATOM 919 O ALA A 62 0.668 3.913 -3.985 1.00 0.00 O ATOM 920 CB ALA A 62 3.479 5.849 -3.773 1.00 0.00 C ATOM 0 H ALA A 62 4.277 5.141 -6.013 1.00 0.00 H new ATOM 0 HA ALA A 62 3.156 3.747 -3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.065 5.889 -2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.562 5.737 -3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.237 6.771 -4.302 1.00 0.00 H new ATOM 926 N ASP A 63 0.852 5.799 -5.197 1.00 0.00 N ATOM 927 CA ASP A 63 -0.588 6.007 -5.295 1.00 0.00 C ATOM 928 C ASP A 63 -1.252 4.859 -6.050 1.00 0.00 C ATOM 929 O ASP A 63 -2.342 4.415 -5.688 1.00 0.00 O ATOM 930 CB ASP A 63 -0.888 7.334 -5.994 1.00 0.00 C ATOM 931 CG ASP A 63 -0.607 8.531 -5.108 1.00 0.00 C ATOM 932 OD1 ASP A 63 -1.112 8.556 -3.966 1.00 0.00 O ATOM 933 OD2 ASP A 63 0.118 9.444 -5.555 1.00 0.00 O ATOM 0 H ASP A 63 1.414 6.510 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.995 6.038 -4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.287 7.408 -6.901 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.933 7.351 -6.302 1.00 0.00 H new ATOM 938 N GLN A 64 -0.589 4.385 -7.099 1.00 0.00 N ATOM 939 CA GLN A 64 -1.116 3.291 -7.905 1.00 0.00 C ATOM 940 C GLN A 64 -1.354 2.051 -7.050 1.00 0.00 C ATOM 941 O GLN A 64 -2.495 1.639 -6.840 1.00 0.00 O ATOM 942 CB GLN A 64 -0.153 2.961 -9.047 1.00 0.00 C ATOM 943 CG GLN A 64 -0.304 3.874 -10.253 1.00 0.00 C ATOM 944 CD GLN A 64 0.151 3.218 -11.542 1.00 0.00 C ATOM 945 OE1 GLN A 64 1.277 3.425 -11.994 1.00 0.00 O ATOM 946 NE2 GLN A 64 -0.726 2.422 -12.143 1.00 0.00 N ATOM 0 H GLN A 64 0.314 4.741 -7.411 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.070 3.609 -8.325 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.871 3.026 -8.678 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.314 1.929 -9.360 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.348 4.172 -10.350 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.273 4.784 -10.090 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.649 2.279 -11.733 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.477 1.954 -13.014 1.00 0.00 H new ATOM 955 N ALA A 65 -0.270 1.459 -6.560 1.00 0.00 N ATOM 956 CA ALA A 65 -0.361 0.266 -5.727 1.00 0.00 C ATOM 957 C ALA A 65 -1.442 0.422 -4.663 1.00 0.00 C ATOM 958 O ALA A 65 -2.372 -0.382 -4.586 1.00 0.00 O ATOM 959 CB ALA A 65 0.983 -0.028 -5.078 1.00 0.00 C ATOM 0 H ALA A 65 0.682 1.786 -6.725 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.635 -0.574 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.900 -0.921 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.733 -0.191 -5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.280 0.817 -4.457 1.00 0.00 H new ATOM 965 N VAL A 66 -1.314 1.460 -3.843 1.00 0.00 N ATOM 966 CA VAL A 66 -2.280 1.721 -2.783 1.00 0.00 C ATOM 967 C VAL A 66 -3.690 1.856 -3.346 1.00 0.00 C ATOM 968 O VAL A 66 -4.675 1.748 -2.615 1.00 0.00 O ATOM 969 CB VAL A 66 -1.926 3.001 -2.003 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.136 3.510 -1.235 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.757 2.745 -1.063 1.00 0.00 C ATOM 0 H VAL A 66 -0.550 2.134 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.243 0.869 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.628 3.770 -2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.867 4.415 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.943 3.733 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.467 2.747 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.520 3.660 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.025 1.961 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.112 2.430 -1.641 1.00 0.00 H new ATOM 981 N ALA A 67 -3.781 2.092 -4.651 1.00 0.00 N ATOM 982 CA ALA A 67 -5.070 2.239 -5.313 1.00 0.00 C ATOM 983 C ALA A 67 -5.586 0.895 -5.816 1.00 0.00 C ATOM 984 O ALA A 67 -6.788 0.634 -5.794 1.00 0.00 O ATOM 985 CB ALA A 67 -4.963 3.230 -6.463 1.00 0.00 C ATOM 0 H ALA A 67 -2.976 2.185 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.783 2.622 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.934 3.330 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.648 4.200 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.231 2.871 -7.186 1.00 0.00 H new ATOM 991 N GLU A 68 -4.668 0.047 -6.270 1.00 0.00 N ATOM 992 CA GLU A 68 -5.032 -1.270 -6.781 1.00 0.00 C ATOM 993 C GLU A 68 -4.835 -2.341 -5.712 1.00 0.00 C ATOM 994 O GLU A 68 -5.775 -3.047 -5.344 1.00 0.00 O ATOM 995 CB GLU A 68 -4.198 -1.609 -8.018 1.00 0.00 C ATOM 996 CG GLU A 68 -4.361 -0.613 -9.154 1.00 0.00 C ATOM 997 CD GLU A 68 -5.606 -0.869 -9.981 1.00 0.00 C ATOM 998 OE1 GLU A 68 -6.717 -0.600 -9.477 1.00 0.00 O ATOM 999 OE2 GLU A 68 -5.470 -1.339 -11.129 1.00 0.00 O ATOM 0 H GLU A 68 -3.668 0.248 -6.294 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.086 -1.246 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.146 -1.656 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.477 -2.601 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.403 0.396 -8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.484 -0.658 -9.800 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.608 -2.456 -5.217 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.286 -3.441 -4.191 1.00 0.00 C ATOM 1008 C LEU A 69 -4.228 -3.313 -2.998 1.00 0.00 C ATOM 1009 O LEU A 69 -4.638 -4.311 -2.408 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.837 -3.273 -3.731 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.764 -3.807 -4.681 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.556 -3.988 -3.949 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.213 -5.119 -5.308 1.00 0.00 C ATOM 0 H LEU A 69 -2.819 -1.879 -5.510 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.410 -4.434 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.651 -2.212 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.722 -3.772 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.616 -3.078 -5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.307 -4.369 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.885 -3.029 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.424 -4.697 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.438 -5.485 -5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.390 -5.855 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.134 -4.958 -5.869 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.568 -2.076 -2.650 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.464 -1.817 -1.529 1.00 0.00 C ATOM 1027 C ASN A 70 -6.599 -2.836 -1.492 1.00 0.00 C ATOM 1028 O ASN A 70 -7.414 -2.907 -2.411 1.00 0.00 O ATOM 1029 CB ASN A 70 -6.038 -0.401 -1.624 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.411 -0.290 -0.991 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.431 -0.474 -1.656 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.444 0.013 0.302 1.00 0.00 N ATOM 0 H ASN A 70 -4.237 -1.238 -3.128 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.888 -1.908 -0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.358 0.297 -1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.099 -0.106 -2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.339 0.102 0.782 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.574 0.157 0.814 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.645 -3.624 -0.422 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.683 -4.628 -0.284 1.00 0.00 C ATOM 1041 C GLY A 71 -7.724 -5.584 -1.460 1.00 0.00 C ATOM 1042 O GLY A 71 -8.797 -6.027 -1.874 1.00 0.00 O ATOM 0 H GLY A 71 -5.982 -3.585 0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.519 -5.193 0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.650 -4.135 -0.186 1.00 0.00 H new ATOM 1046 N THR A 72 -6.553 -5.904 -2.002 1.00 0.00 N ATOM 1047 CA THR A 72 -6.459 -6.811 -3.139 1.00 0.00 C ATOM 1048 C THR A 72 -6.299 -8.255 -2.678 1.00 0.00 C ATOM 1049 O THR A 72 -6.027 -8.515 -1.506 1.00 0.00 O ATOM 1050 CB THR A 72 -5.278 -6.442 -4.056 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.405 -7.115 -5.313 1.00 0.00 O ATOM 1052 CG2 THR A 72 -3.953 -6.815 -3.408 1.00 0.00 C ATOM 0 H THR A 72 -5.656 -5.548 -1.671 1.00 0.00 H new ATOM 0 HA THR A 72 -7.388 -6.713 -3.700 1.00 0.00 H new ATOM 0 HB THR A 72 -5.295 -5.364 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.651 -6.874 -5.891 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.133 -6.545 -4.074 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.846 -6.279 -2.465 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.929 -7.888 -3.220 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.467 -9.190 -3.607 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.341 -10.609 -3.295 1.00 0.00 C ATOM 1062 C GLN A 73 -5.366 -11.291 -4.248 1.00 0.00 C ATOM 1063 O GLN A 73 -5.737 -11.693 -5.351 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.707 -11.293 -3.368 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.731 -12.673 -2.732 1.00 0.00 C ATOM 1066 CD GLN A 73 -9.055 -13.385 -2.932 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -9.951 -12.876 -3.606 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -9.185 -14.569 -2.345 1.00 0.00 N ATOM 0 H GLN A 73 -6.691 -8.991 -4.582 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.952 -10.699 -2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.447 -10.662 -2.875 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.006 -11.378 -4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.930 -13.278 -3.156 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.530 -12.581 -1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.416 -14.953 -1.795 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.054 -15.095 -2.444 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.115 -11.420 -3.816 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.086 -12.055 -4.631 1.00 0.00 C ATOM 1079 C VAL A 74 -2.537 -13.303 -3.949 1.00 0.00 C ATOM 1080 O VAL A 74 -2.389 -13.340 -2.728 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.923 -11.087 -4.920 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.451 -9.701 -5.254 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -0.970 -11.032 -3.735 1.00 0.00 C ATOM 0 H VAL A 74 -3.790 -11.093 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.557 -12.337 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.372 -11.457 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.615 -9.032 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.090 -9.758 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.027 -9.319 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.154 -10.344 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.507 -10.687 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.565 -12.026 -3.547 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.237 -14.323 -4.747 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.704 -15.573 -4.219 1.00 0.00 C ATOM 1095 C GLU A 75 -2.615 -16.136 -3.131 1.00 0.00 C ATOM 1096 O GLU A 75 -2.157 -16.822 -2.217 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.296 -15.358 -3.660 1.00 0.00 C ATOM 1098 CG GLU A 75 0.694 -14.839 -4.688 1.00 0.00 C ATOM 1099 CD GLU A 75 0.984 -15.850 -5.781 1.00 0.00 C ATOM 1100 OE1 GLU A 75 1.597 -16.895 -5.474 1.00 0.00 O ATOM 1101 OE2 GLU A 75 0.600 -15.597 -6.941 1.00 0.00 O ATOM 0 H GLU A 75 -2.354 -14.308 -5.760 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.656 -16.292 -5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.348 -14.654 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.073 -16.301 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.301 -13.927 -5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.625 -14.573 -4.188 1.00 0.00 H new ATOM 1108 N SER A 76 -3.906 -15.841 -3.238 1.00 0.00 N ATOM 1109 CA SER A 76 -4.881 -16.314 -2.261 1.00 0.00 C ATOM 1110 C SER A 76 -4.657 -15.651 -0.906 1.00 0.00 C ATOM 1111 O SER A 76 -4.955 -16.231 0.139 1.00 0.00 O ATOM 1112 CB SER A 76 -4.796 -17.835 -2.119 1.00 0.00 C ATOM 1113 OG SER A 76 -4.692 -18.460 -3.386 1.00 0.00 O ATOM 0 H SER A 76 -4.302 -15.277 -3.990 1.00 0.00 H new ATOM 0 HA SER A 76 -5.876 -16.045 -2.617 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.933 -18.099 -1.508 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.680 -18.205 -1.599 1.00 0.00 H new ATOM 0 HG SER A 76 -4.637 -19.431 -3.268 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.130 -14.431 -0.930 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.866 -13.688 0.296 1.00 0.00 C ATOM 1121 C VAL A 77 -4.277 -12.227 0.152 1.00 0.00 C ATOM 1122 O VAL A 77 -3.776 -11.514 -0.717 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.377 -13.755 0.684 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -2.063 -12.741 1.773 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -2.006 -15.161 1.131 1.00 0.00 C ATOM 0 H VAL A 77 -3.877 -13.936 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.460 -14.154 1.082 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.779 -13.507 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.007 -12.803 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.289 -11.738 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.668 -12.955 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.950 -15.190 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.610 -15.439 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.192 -15.862 0.317 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.192 -11.788 1.010 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.671 -10.411 0.978 1.00 0.00 C ATOM 1137 C GLN A 78 -4.599 -9.450 1.482 1.00 0.00 C ATOM 1138 O GLN A 78 -4.244 -9.462 2.662 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.938 -10.269 1.823 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.220 -10.508 1.042 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.334 -11.067 1.906 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.732 -12.222 1.755 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -9.843 -10.248 2.818 1.00 0.00 N ATOM 0 H GLN A 78 -5.616 -12.366 1.736 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.903 -10.158 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.892 -10.973 2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.967 -9.269 2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.548 -9.570 0.594 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.019 -11.199 0.223 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.482 -9.298 2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.595 -10.568 3.428 1.00 0.00 H new ATOM 1152 N LEU A 79 -4.086 -8.619 0.582 1.00 0.00 N ATOM 1153 CA LEU A 79 -3.054 -7.650 0.935 1.00 0.00 C ATOM 1154 C LEU A 79 -3.656 -6.267 1.153 1.00 0.00 C ATOM 1155 O LEU A 79 -4.531 -5.833 0.403 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.989 -7.588 -0.161 1.00 0.00 C ATOM 1157 CG LEU A 79 -1.043 -8.787 -0.248 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.158 -8.457 -1.120 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.594 -9.213 1.142 1.00 0.00 C ATOM 0 H LEU A 79 -4.368 -8.596 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.590 -7.974 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.491 -7.477 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.391 -6.690 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.581 -9.618 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.820 -9.322 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.181 -8.201 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.697 -7.612 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.078 -10.067 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.074 -8.386 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.464 -9.491 1.736 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.182 -5.576 2.185 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.671 -4.240 2.501 1.00 0.00 C ATOM 1173 C LYS A 80 -2.534 -3.223 2.469 1.00 0.00 C ATOM 1174 O LYS A 80 -1.662 -3.223 3.338 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.337 -4.231 3.879 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.671 -4.957 3.914 1.00 0.00 C ATOM 1177 CD LYS A 80 -5.483 -6.462 4.020 1.00 0.00 C ATOM 1178 CE LYS A 80 -6.643 -7.117 4.753 1.00 0.00 C ATOM 1179 NZ LYS A 80 -6.583 -6.869 6.220 1.00 0.00 N ATOM 0 H LYS A 80 -2.459 -5.920 2.817 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.406 -3.962 1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.663 -4.691 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.486 -3.198 4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.258 -4.602 4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.238 -4.723 3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.394 -6.890 3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.552 -6.678 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.584 -6.735 4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.631 -8.191 4.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.059 -7.645 6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.589 -6.818 6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.059 -5.971 6.440 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.550 -2.356 1.461 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.523 -1.332 1.317 1.00 0.00 C ATOM 1195 C VAL A 81 -2.077 0.052 1.637 1.00 0.00 C ATOM 1196 O VAL A 81 -3.240 0.345 1.363 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.937 -1.321 -0.108 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.305 -0.444 -0.168 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.622 -2.738 -0.564 1.00 0.00 C ATOM 0 H VAL A 81 -3.263 -2.343 0.732 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.732 -1.576 2.026 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.681 -0.902 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.705 -0.448 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.044 0.576 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.057 -0.830 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.209 -2.712 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.104 -3.186 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.535 -3.333 -0.561 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.235 0.900 2.219 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.640 2.255 2.577 1.00 0.00 C ATOM 1211 C ASN A 82 -0.481 3.232 2.407 1.00 0.00 C ATOM 1212 O ASN A 82 0.684 2.835 2.410 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.147 2.293 4.020 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.555 1.744 4.153 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -3.762 0.664 4.707 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -4.530 2.487 3.643 1.00 0.00 N ATOM 0 H ASN A 82 -0.268 0.673 2.453 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.446 2.556 1.908 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.474 1.716 4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.125 3.321 4.383 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.497 2.169 3.702 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.312 3.376 3.193 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.810 4.511 2.260 1.00 0.00 N ATOM 1224 CA ILE A 83 0.203 5.546 2.091 1.00 0.00 C ATOM 1225 C ILE A 83 0.865 5.889 3.421 1.00 0.00 C ATOM 1226 O ILE A 83 0.338 6.680 4.202 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.397 6.827 1.483 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -1.307 6.480 0.303 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.711 7.773 1.044 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.554 6.041 -0.933 1.00 0.00 C ATOM 0 H ILE A 83 -1.770 4.855 2.254 1.00 0.00 H new ATOM 0 HA ILE A 83 0.952 5.146 1.408 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.996 7.327 2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.990 5.686 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.917 7.349 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.272 8.674 0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.323 8.041 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.333 7.282 0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.263 5.811 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.110 6.842 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.035 5.153 -0.704 1.00 0.00 H new ATOM 1242 N ALA A 84 2.025 5.290 3.671 1.00 0.00 N ATOM 1243 CA ALA A 84 2.761 5.535 4.905 1.00 0.00 C ATOM 1244 C ALA A 84 2.883 7.029 5.184 1.00 0.00 C ATOM 1245 O ALA A 84 3.408 7.783 4.364 1.00 0.00 O ATOM 1246 CB ALA A 84 4.140 4.896 4.832 1.00 0.00 C ATOM 0 H ALA A 84 2.475 4.632 3.035 1.00 0.00 H new ATOM 0 HA ALA A 84 2.205 5.083 5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.679 5.087 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.036 3.821 4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.695 5.322 3.996 1.00 0.00 H new