USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 757 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 99 ASN :FLIP amide:sc= -2.69 F(o=-5!,f=-2.7) USER MOD Set 1.2: A 102 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.419) USER MOD Set 2.1: A 47 CYS SG : rot -142:sc= 0.154 USER MOD Set 2.2: A 49 HIS : no HE2:sc= -3.73! C(o=-5.5!,f=-12!) USER MOD Set 2.3: A 50 CYS SG : rot 180:sc= -1.89 USER MOD Set 3.1: A 28 ASN : amide:sc= -2.54 K(o=-3.5,f=-4.8!) USER MOD Set 3.2: A 33 GLN :FLIP amide:sc= -0.924 F(o=-5.3,f=-3.5) USER MOD Set 4.1: A 23 THR OG1 : rot -99:sc= 1.11 USER MOD Set 4.2: A 26 ASN : amide:sc= -1.27! C(o=-0.16!,f=-4.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -143:sc= 0.906 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.15! X(o=-2.2!,f=-1.9) USER MOD Single : A 54 THR OG1 : rot 92:sc= 1.15 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00312 USER MOD Single : A 65 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00988) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0366) USER MOD Single : A 74 ASN : amide:sc= -7.33! C(o=-7.3!,f=-19!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -4.81! C(o=-5.6!,f=-4.8!) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 77:sc= 0.685 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 92 THR OG1 : rot -6:sc= -1.07 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.2) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 106 TYR OH : rot -140:sc= -1.05 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.623 2.562 -11.788 1.00 0.00 N ATOM 196 CA ASP A 18 7.427 1.133 -11.571 1.00 0.00 C ATOM 197 C ASP A 18 6.226 0.881 -10.665 1.00 0.00 C ATOM 198 O ASP A 18 5.678 -0.221 -10.636 1.00 0.00 O ATOM 199 CB ASP A 18 8.683 0.512 -10.959 1.00 0.00 C ATOM 200 CG ASP A 18 9.892 0.636 -11.865 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.427 1.757 -11.990 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.302 -0.388 -12.451 1.00 0.00 O ATOM 0 HA ASP A 18 7.234 0.666 -12.537 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.896 0.996 -10.006 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.498 -0.541 -10.748 1.00 0.00 H new ATOM 207 N VAL A 19 5.822 1.910 -9.926 1.00 0.00 N ATOM 208 CA VAL A 19 4.686 1.800 -9.019 1.00 0.00 C ATOM 209 C VAL A 19 3.371 1.746 -9.789 1.00 0.00 C ATOM 210 O VAL A 19 3.139 2.543 -10.698 1.00 0.00 O ATOM 211 CB VAL A 19 4.641 2.980 -8.031 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.430 2.866 -7.117 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.927 3.045 -7.220 1.00 0.00 C ATOM 0 H VAL A 19 6.265 2.829 -9.938 1.00 0.00 H new ATOM 0 HA VAL A 19 4.815 0.873 -8.461 1.00 0.00 H new ATOM 0 HB VAL A 19 4.550 3.905 -8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.415 3.709 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.520 2.872 -7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.486 1.935 -6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.878 3.885 -6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.051 2.118 -6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.775 3.178 -7.892 1.00 0.00 H new ATOM 223 N ILE A 20 2.514 0.801 -9.419 1.00 0.00 N ATOM 224 CA ILE A 20 1.221 0.643 -10.074 1.00 0.00 C ATOM 225 C ILE A 20 0.152 1.489 -9.390 1.00 0.00 C ATOM 226 O ILE A 20 -0.113 1.327 -8.199 1.00 0.00 O ATOM 227 CB ILE A 20 0.769 -0.829 -10.080 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.703 -1.668 -10.955 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.667 -0.940 -10.571 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.611 -3.154 -10.684 1.00 0.00 C ATOM 0 H ILE A 20 2.691 0.133 -8.669 1.00 0.00 H new ATOM 0 HA ILE A 20 1.345 0.980 -11.103 1.00 0.00 H new ATOM 0 HB ILE A 20 0.815 -1.212 -9.061 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.469 -1.483 -12.003 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.730 -1.340 -10.794 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.972 -1.986 -10.570 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.322 -0.370 -9.912 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.737 -0.543 -11.584 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.300 -3.687 -11.340 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.873 -3.351 -9.645 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.593 -3.496 -10.872 1.00 0.00 H new ATOM 242 N GLU A 21 -0.460 2.390 -10.152 1.00 0.00 N ATOM 243 CA GLU A 21 -1.501 3.260 -9.619 1.00 0.00 C ATOM 244 C GLU A 21 -2.741 2.456 -9.241 1.00 0.00 C ATOM 245 O GLU A 21 -3.560 2.116 -10.096 1.00 0.00 O ATOM 246 CB GLU A 21 -1.871 4.336 -10.642 1.00 0.00 C ATOM 247 CG GLU A 21 -2.538 5.556 -10.029 1.00 0.00 C ATOM 248 CD GLU A 21 -1.537 6.568 -9.507 1.00 0.00 C ATOM 249 OE1 GLU A 21 -1.043 6.382 -8.375 1.00 0.00 O ATOM 250 OE2 GLU A 21 -1.248 7.545 -10.229 1.00 0.00 O ATOM 0 H GLU A 21 -0.253 2.536 -11.140 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.112 3.740 -8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.969 4.651 -11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.539 3.903 -11.387 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.174 6.031 -10.776 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.187 5.239 -9.213 1.00 0.00 H new ATOM 257 N LEU A 22 -2.873 2.153 -7.954 1.00 0.00 N ATOM 258 CA LEU A 22 -4.012 1.388 -7.460 1.00 0.00 C ATOM 259 C LEU A 22 -5.209 2.298 -7.202 1.00 0.00 C ATOM 260 O LEU A 22 -5.068 3.379 -6.628 1.00 0.00 O ATOM 261 CB LEU A 22 -3.636 0.645 -6.177 1.00 0.00 C ATOM 262 CG LEU A 22 -2.687 -0.543 -6.343 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.266 -1.083 -4.986 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.342 -1.636 -7.175 1.00 0.00 C ATOM 0 H LEU A 22 -2.205 2.426 -7.233 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.289 0.662 -8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.179 1.357 -5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.552 0.290 -5.705 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.795 -0.201 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.591 -1.928 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.757 -0.300 -4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.148 -1.409 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.653 -2.473 -7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.251 -1.976 -6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.592 -1.243 -8.160 1.00 0.00 H new ATOM 276 N THR A 23 -6.387 1.854 -7.627 1.00 0.00 N ATOM 277 CA THR A 23 -7.608 2.627 -7.440 1.00 0.00 C ATOM 278 C THR A 23 -8.748 1.744 -6.945 1.00 0.00 C ATOM 279 O THR A 23 -8.707 0.518 -7.052 1.00 0.00 O ATOM 280 CB THR A 23 -8.041 3.318 -8.747 1.00 0.00 C ATOM 281 OG1 THR A 23 -9.005 2.511 -9.433 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.842 3.563 -9.652 1.00 0.00 C ATOM 0 H THR A 23 -6.521 0.962 -8.104 1.00 0.00 H new ATOM 0 HA THR A 23 -7.389 3.387 -6.690 1.00 0.00 H new ATOM 0 HB THR A 23 -8.488 4.279 -8.493 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.560 2.003 -10.144 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.172 4.052 -10.569 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.123 4.202 -9.139 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.371 2.611 -9.898 1.00 0.00 H new ATOM 290 N PRO A 24 -9.791 2.379 -6.390 1.00 0.00 N ATOM 291 CA PRO A 24 -10.963 1.670 -5.868 1.00 0.00 C ATOM 292 C PRO A 24 -11.806 1.048 -6.977 1.00 0.00 C ATOM 293 O PRO A 24 -12.972 0.714 -6.769 1.00 0.00 O ATOM 294 CB PRO A 24 -11.751 2.768 -5.149 1.00 0.00 C ATOM 295 CG PRO A 24 -11.342 4.031 -5.825 1.00 0.00 C ATOM 296 CD PRO A 24 -9.907 3.838 -6.230 1.00 0.00 C ATOM 0 HA PRO A 24 -10.682 0.837 -5.224 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.825 2.604 -5.233 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.514 2.794 -4.085 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.969 4.229 -6.694 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.447 4.884 -5.155 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.677 4.363 -7.157 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.221 4.215 -5.471 1.00 0.00 H new ATOM 304 N SER A 25 -11.207 0.895 -8.154 1.00 0.00 N ATOM 305 CA SER A 25 -11.904 0.316 -9.296 1.00 0.00 C ATOM 306 C SER A 25 -11.156 -0.902 -9.829 1.00 0.00 C ATOM 307 O SER A 25 -11.736 -1.758 -10.495 1.00 0.00 O ATOM 308 CB SER A 25 -12.062 1.358 -10.406 1.00 0.00 C ATOM 309 OG SER A 25 -13.265 2.090 -10.251 1.00 0.00 O ATOM 0 H SER A 25 -10.241 1.164 -8.341 1.00 0.00 H new ATOM 0 HA SER A 25 -12.892 -0.003 -8.964 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.213 2.041 -10.391 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.056 0.863 -11.377 1.00 0.00 H new ATOM 0 HG SER A 25 -13.341 2.750 -10.971 1.00 0.00 H new ATOM 315 N ASN A 26 -9.863 -0.972 -9.529 1.00 0.00 N ATOM 316 CA ASN A 26 -9.033 -2.084 -9.978 1.00 0.00 C ATOM 317 C ASN A 26 -8.331 -2.749 -8.798 1.00 0.00 C ATOM 318 O ASN A 26 -7.862 -3.883 -8.899 1.00 0.00 O ATOM 319 CB ASN A 26 -7.998 -1.598 -10.994 1.00 0.00 C ATOM 320 CG ASN A 26 -7.561 -0.169 -10.736 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.298 0.777 -11.016 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.357 -0.006 -10.200 1.00 0.00 N ATOM 0 H ASN A 26 -9.367 -0.272 -8.977 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.681 -2.820 -10.454 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.127 -2.253 -10.963 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.416 -1.672 -11.998 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.009 0.932 -10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.780 -0.819 -9.984 1.00 0.00 H new ATOM 329 N PHE A 27 -8.262 -2.036 -7.679 1.00 0.00 N ATOM 330 CA PHE A 27 -7.616 -2.556 -6.479 1.00 0.00 C ATOM 331 C PHE A 27 -7.885 -4.050 -6.321 1.00 0.00 C ATOM 332 O PHE A 27 -7.024 -4.801 -5.865 1.00 0.00 O ATOM 333 CB PHE A 27 -8.110 -1.803 -5.242 1.00 0.00 C ATOM 334 CG PHE A 27 -7.328 -2.116 -3.998 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.355 -3.388 -3.448 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.565 -1.139 -3.379 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.636 -3.679 -2.304 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.844 -1.425 -2.235 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.881 -2.696 -1.696 1.00 0.00 C ATOM 0 H PHE A 27 -8.645 -1.096 -7.578 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.541 -2.407 -6.581 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.058 -0.731 -5.434 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.159 -2.046 -5.073 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.945 -4.161 -3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.533 -0.143 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.665 -4.674 -1.886 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.252 -0.655 -1.763 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.320 -2.921 -0.801 1.00 0.00 H new ATOM 349 N ASN A 28 -9.087 -4.472 -6.700 1.00 0.00 N ATOM 350 CA ASN A 28 -9.471 -5.875 -6.600 1.00 0.00 C ATOM 351 C ASN A 28 -8.931 -6.673 -7.783 1.00 0.00 C ATOM 352 O ASN A 28 -8.471 -7.803 -7.625 1.00 0.00 O ATOM 353 CB ASN A 28 -10.994 -6.005 -6.534 1.00 0.00 C ATOM 354 CG ASN A 28 -11.439 -7.404 -6.151 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.803 -7.658 -5.003 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.411 -8.318 -7.114 1.00 0.00 N ATOM 0 H ASN A 28 -9.812 -3.862 -7.079 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.039 -6.280 -5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.386 -5.291 -5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.421 -5.743 -7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.699 -9.276 -6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.102 -8.062 -8.052 1.00 0.00 H new ATOM 363 N ARG A 29 -8.992 -6.076 -8.969 1.00 0.00 N ATOM 364 CA ARG A 29 -8.511 -6.730 -10.179 1.00 0.00 C ATOM 365 C ARG A 29 -6.994 -6.608 -10.297 1.00 0.00 C ATOM 366 O ARG A 29 -6.384 -7.187 -11.195 1.00 0.00 O ATOM 367 CB ARG A 29 -9.179 -6.122 -11.414 1.00 0.00 C ATOM 368 CG ARG A 29 -10.556 -6.695 -11.706 1.00 0.00 C ATOM 369 CD ARG A 29 -10.463 -8.089 -12.308 1.00 0.00 C ATOM 370 NE ARG A 29 -11.572 -8.367 -13.217 1.00 0.00 N ATOM 371 CZ ARG A 29 -11.584 -8.006 -14.495 1.00 0.00 C ATOM 372 NH1 ARG A 29 -10.551 -7.355 -15.012 1.00 0.00 N ATOM 373 NH2 ARG A 29 -12.630 -8.295 -15.258 1.00 0.00 N ATOM 0 H ARG A 29 -9.370 -5.140 -9.117 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.770 -7.787 -10.117 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.265 -5.044 -11.276 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.537 -6.283 -12.280 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.138 -6.733 -10.785 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.088 -6.036 -12.392 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.520 -8.190 -12.845 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.455 -8.830 -11.508 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.382 -8.866 -12.850 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.745 -7.131 -14.428 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.562 -7.079 -15.994 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.427 -8.795 -14.863 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.638 -8.017 -16.239 1.00 0.00 H new ATOM 387 N GLU A 30 -6.394 -5.852 -9.383 1.00 0.00 N ATOM 388 CA GLU A 30 -4.949 -5.654 -9.386 1.00 0.00 C ATOM 389 C GLU A 30 -4.294 -6.409 -8.233 1.00 0.00 C ATOM 390 O GLU A 30 -3.293 -7.100 -8.418 1.00 0.00 O ATOM 391 CB GLU A 30 -4.616 -4.164 -9.289 1.00 0.00 C ATOM 392 CG GLU A 30 -4.523 -3.472 -10.639 1.00 0.00 C ATOM 393 CD GLU A 30 -3.192 -3.710 -11.326 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.558 -4.749 -11.045 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.786 -2.859 -12.144 1.00 0.00 O ATOM 0 H GLU A 30 -6.885 -5.367 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.556 -6.046 -10.324 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.378 -3.668 -8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.669 -4.046 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.328 -3.828 -11.282 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.672 -2.401 -10.505 1.00 0.00 H new ATOM 402 N VAL A 31 -4.867 -6.270 -7.041 1.00 0.00 N ATOM 403 CA VAL A 31 -4.340 -6.938 -5.857 1.00 0.00 C ATOM 404 C VAL A 31 -5.157 -8.180 -5.518 1.00 0.00 C ATOM 405 O VAL A 31 -4.655 -9.302 -5.582 1.00 0.00 O ATOM 406 CB VAL A 31 -4.330 -5.996 -4.639 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.853 -6.733 -3.397 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.459 -4.779 -4.914 1.00 0.00 C ATOM 0 H VAL A 31 -5.696 -5.701 -6.870 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.316 -7.232 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.349 -5.653 -4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.853 -6.051 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.521 -7.569 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.843 -7.108 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.463 -4.124 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.438 -5.101 -5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.850 -4.239 -5.776 1.00 0.00 H new ATOM 418 N ILE A 32 -6.419 -7.971 -5.158 1.00 0.00 N ATOM 419 CA ILE A 32 -7.306 -9.074 -4.811 1.00 0.00 C ATOM 420 C ILE A 32 -7.266 -10.168 -5.873 1.00 0.00 C ATOM 421 O ILE A 32 -7.386 -11.353 -5.562 1.00 0.00 O ATOM 422 CB ILE A 32 -8.760 -8.595 -4.638 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.826 -7.452 -3.624 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.650 -9.749 -4.202 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.397 -7.854 -2.230 1.00 0.00 C ATOM 0 H ILE A 32 -6.850 -7.048 -5.099 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.950 -9.478 -3.863 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.122 -8.226 -5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.193 -6.635 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.846 -7.070 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.674 -9.394 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.623 -10.535 -4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.292 -10.146 -3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.469 -6.994 -1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.046 -8.650 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.366 -8.208 -2.254 1.00 0.00 H new ATOM 437 N GLN A 33 -7.095 -9.761 -7.126 1.00 0.00 N ATOM 438 CA GLN A 33 -7.037 -10.707 -8.235 1.00 0.00 C ATOM 439 C GLN A 33 -5.593 -11.063 -8.572 1.00 0.00 C ATOM 440 O GLN A 33 -5.267 -11.351 -9.724 1.00 0.00 O ATOM 441 CB GLN A 33 -7.733 -10.125 -9.466 1.00 0.00 C ATOM 442 CG GLN A 33 -9.249 -10.114 -9.361 1.00 0.00 C ATOM 443 CD GLN A 33 -9.781 -11.233 -8.487 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.104 -10.908 -7.240 1.00 0.00 O flip ATOM 445 NE2 GLN A 33 -9.901 -12.376 -8.927 1.00 0.00 N flip ATOM 0 H GLN A 33 -6.994 -8.783 -7.399 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.554 -11.617 -7.931 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.381 -9.106 -9.624 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.442 -10.702 -10.344 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.575 -9.156 -8.956 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.679 -10.201 -10.359 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.641 -12.581 -9.892 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.261 -13.118 -8.327 1.00 0.00 H new ATOM 454 N SER A 34 -4.732 -11.042 -7.560 1.00 0.00 N ATOM 455 CA SER A 34 -3.321 -11.359 -7.750 1.00 0.00 C ATOM 456 C SER A 34 -2.838 -12.344 -6.691 1.00 0.00 C ATOM 457 O SER A 34 -2.591 -11.969 -5.544 1.00 0.00 O ATOM 458 CB SER A 34 -2.479 -10.083 -7.698 1.00 0.00 C ATOM 459 OG SER A 34 -1.106 -10.370 -7.900 1.00 0.00 O ATOM 0 H SER A 34 -4.986 -10.809 -6.600 1.00 0.00 H new ATOM 0 HA SER A 34 -3.207 -11.822 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.824 -9.385 -8.460 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.613 -9.594 -6.733 1.00 0.00 H new ATOM 0 HG SER A 34 -0.562 -9.781 -7.336 1.00 0.00 H new ATOM 465 N ASP A 35 -2.705 -13.607 -7.083 1.00 0.00 N ATOM 466 CA ASP A 35 -2.250 -14.647 -6.168 1.00 0.00 C ATOM 467 C ASP A 35 -0.916 -14.268 -5.533 1.00 0.00 C ATOM 468 O ASP A 35 -0.618 -14.665 -4.407 1.00 0.00 O ATOM 469 CB ASP A 35 -2.117 -15.981 -6.905 1.00 0.00 C ATOM 470 CG ASP A 35 -0.870 -16.046 -7.764 1.00 0.00 C ATOM 471 OD1 ASP A 35 -0.817 -15.333 -8.787 1.00 0.00 O ATOM 472 OD2 ASP A 35 0.053 -16.811 -7.413 1.00 0.00 O ATOM 0 H ASP A 35 -2.906 -13.935 -8.028 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.992 -14.750 -5.376 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.097 -16.794 -6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.995 -16.135 -7.532 1.00 0.00 H new ATOM 477 N GLY A 36 -0.117 -13.497 -6.263 1.00 0.00 N ATOM 478 CA GLY A 36 1.177 -13.078 -5.755 1.00 0.00 C ATOM 479 C GLY A 36 1.058 -12.066 -4.632 1.00 0.00 C ATOM 480 O GLY A 36 -0.042 -11.777 -4.160 1.00 0.00 O ATOM 0 H GLY A 36 -0.342 -13.155 -7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.724 -13.951 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.761 -12.647 -6.568 1.00 0.00 H new ATOM 484 N LEU A 37 2.194 -11.528 -4.202 1.00 0.00 N ATOM 485 CA LEU A 37 2.214 -10.543 -3.125 1.00 0.00 C ATOM 486 C LEU A 37 1.940 -9.142 -3.663 1.00 0.00 C ATOM 487 O LEU A 37 2.270 -8.831 -4.808 1.00 0.00 O ATOM 488 CB LEU A 37 3.564 -10.571 -2.407 1.00 0.00 C ATOM 489 CG LEU A 37 3.537 -10.236 -0.915 1.00 0.00 C ATOM 490 CD1 LEU A 37 3.053 -11.431 -0.108 1.00 0.00 C ATOM 491 CD2 LEU A 37 4.915 -9.794 -0.443 1.00 0.00 C ATOM 0 H LEU A 37 3.113 -11.757 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 37 1.427 -10.800 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.997 -11.564 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.233 -9.869 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 37 2.840 -9.413 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.040 -11.174 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.047 -11.702 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.724 -12.274 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.877 -9.560 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.632 -10.597 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.223 -8.909 -0.999 1.00 0.00 H new ATOM 503 N TRP A 38 1.338 -8.302 -2.830 1.00 0.00 N ATOM 504 CA TRP A 38 1.022 -6.933 -3.222 1.00 0.00 C ATOM 505 C TRP A 38 1.298 -5.962 -2.079 1.00 0.00 C ATOM 506 O TRP A 38 0.811 -6.147 -0.963 1.00 0.00 O ATOM 507 CB TRP A 38 -0.441 -6.829 -3.654 1.00 0.00 C ATOM 508 CG TRP A 38 -0.626 -6.869 -5.141 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.870 -7.973 -5.907 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.580 -5.756 -6.040 1.00 0.00 C ATOM 511 NE1 TRP A 38 -0.978 -7.613 -7.229 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.805 -6.259 -7.337 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.372 -4.384 -5.877 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.827 -5.437 -8.460 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.394 -3.569 -6.993 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.620 -4.097 -8.271 1.00 0.00 C ATOM 0 H TRP A 38 1.059 -8.544 -1.879 1.00 0.00 H new ATOM 0 HA TRP A 38 1.661 -6.666 -4.063 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.004 -7.646 -3.203 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.861 -5.900 -3.268 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.964 -8.980 -5.530 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.158 -8.251 -8.004 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.197 -3.968 -4.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.001 -5.842 -9.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.234 -2.507 -6.878 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.631 -3.434 -9.123 1.00 0.00 H new ATOM 527 N LEU A 39 2.081 -4.928 -2.363 1.00 0.00 N ATOM 528 CA LEU A 39 2.422 -3.927 -1.357 1.00 0.00 C ATOM 529 C LEU A 39 1.716 -2.605 -1.644 1.00 0.00 C ATOM 530 O LEU A 39 2.137 -1.840 -2.511 1.00 0.00 O ATOM 531 CB LEU A 39 3.936 -3.712 -1.316 1.00 0.00 C ATOM 532 CG LEU A 39 4.717 -4.620 -0.366 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.160 -4.758 -0.826 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.658 -4.081 1.056 1.00 0.00 C ATOM 0 H LEU A 39 2.492 -4.760 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 39 2.087 -4.293 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.330 -3.849 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.128 -2.676 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 39 4.257 -5.608 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.701 -5.408 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.183 -5.190 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.632 -3.776 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.219 -4.740 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.093 -3.082 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.620 -4.035 1.385 1.00 0.00 H new ATOM 546 N VAL A 40 0.642 -2.342 -0.907 1.00 0.00 N ATOM 547 CA VAL A 40 -0.121 -1.112 -1.079 1.00 0.00 C ATOM 548 C VAL A 40 0.231 -0.092 -0.002 1.00 0.00 C ATOM 549 O VAL A 40 0.194 -0.396 1.190 1.00 0.00 O ATOM 550 CB VAL A 40 -1.637 -1.380 -1.040 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.412 -0.125 -1.408 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.998 -2.531 -1.968 1.00 0.00 C ATOM 0 H VAL A 40 0.280 -2.965 -0.185 1.00 0.00 H new ATOM 0 HA VAL A 40 0.144 -0.710 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.912 -1.662 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.481 -0.335 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.176 0.669 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.136 0.192 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.073 -2.707 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.709 -2.280 -2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.471 -3.432 -1.653 1.00 0.00 H new ATOM 562 N GLU A 41 0.572 1.119 -0.430 1.00 0.00 N ATOM 563 CA GLU A 41 0.931 2.185 0.499 1.00 0.00 C ATOM 564 C GLU A 41 -0.071 3.333 0.423 1.00 0.00 C ATOM 565 O GLU A 41 -0.434 3.785 -0.663 1.00 0.00 O ATOM 566 CB GLU A 41 2.340 2.701 0.197 1.00 0.00 C ATOM 567 CG GLU A 41 2.663 4.021 0.878 1.00 0.00 C ATOM 568 CD GLU A 41 2.287 5.221 0.031 1.00 0.00 C ATOM 569 OE1 GLU A 41 1.080 5.534 -0.051 1.00 0.00 O ATOM 570 OE2 GLU A 41 3.198 5.847 -0.549 1.00 0.00 O ATOM 0 H GLU A 41 0.607 1.387 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 41 0.911 1.775 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.067 1.952 0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.451 2.821 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.135 4.073 1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.729 4.059 1.102 1.00 0.00 H new ATOM 577 N PHE A 42 -0.514 3.801 1.585 1.00 0.00 N ATOM 578 CA PHE A 42 -1.475 4.896 1.652 1.00 0.00 C ATOM 579 C PHE A 42 -0.783 6.206 2.017 1.00 0.00 C ATOM 580 O PHE A 42 -0.479 6.456 3.184 1.00 0.00 O ATOM 581 CB PHE A 42 -2.568 4.581 2.675 1.00 0.00 C ATOM 582 CG PHE A 42 -3.360 3.348 2.347 1.00 0.00 C ATOM 583 CD1 PHE A 42 -2.918 2.098 2.746 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.547 3.440 1.637 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.644 0.961 2.446 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.278 2.306 1.334 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.825 1.065 1.738 1.00 0.00 C ATOM 0 H PHE A 42 -0.223 3.439 2.493 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.929 5.008 0.668 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.111 4.459 3.657 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.247 5.431 2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.994 2.010 3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.905 4.408 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.288 -0.008 2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.202 2.390 0.782 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.393 0.178 1.501 1.00 0.00 H new ATOM 597 N TYR A 43 -0.536 7.038 1.011 1.00 0.00 N ATOM 598 CA TYR A 43 0.123 8.321 1.224 1.00 0.00 C ATOM 599 C TYR A 43 -0.854 9.475 1.024 1.00 0.00 C ATOM 600 O TYR A 43 -2.027 9.264 0.718 1.00 0.00 O ATOM 601 CB TYR A 43 1.311 8.472 0.273 1.00 0.00 C ATOM 602 CG TYR A 43 0.911 8.802 -1.148 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.608 10.106 -1.520 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.834 7.810 -2.117 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.241 10.412 -2.816 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.470 8.107 -3.416 1.00 0.00 C ATOM 607 CZ TYR A 43 0.174 9.409 -3.760 1.00 0.00 C ATOM 608 OH TYR A 43 -0.191 9.709 -5.053 1.00 0.00 O ATOM 0 H TYR A 43 -0.782 6.847 0.040 1.00 0.00 H new ATOM 0 HA TYR A 43 0.484 8.349 2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.968 9.256 0.648 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.886 7.546 0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.660 10.894 -0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.063 6.789 -1.850 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.008 11.431 -3.088 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.418 7.324 -4.158 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.188 8.891 -5.592 1.00 0.00 H new ATOM 618 N ALA A 44 -0.360 10.697 1.198 1.00 0.00 N ATOM 619 CA ALA A 44 -1.188 11.885 1.034 1.00 0.00 C ATOM 620 C ALA A 44 -0.432 12.982 0.290 1.00 0.00 C ATOM 621 O ALA A 44 0.625 13.443 0.722 1.00 0.00 O ATOM 622 CB ALA A 44 -1.658 12.392 2.389 1.00 0.00 C ATOM 0 H ALA A 44 0.609 10.890 1.452 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.059 11.611 0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.275 13.280 2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.242 11.617 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.793 12.643 3.003 1.00 0.00 H new ATOM 628 N PRO A 45 -0.983 13.410 -0.855 1.00 0.00 N ATOM 629 CA PRO A 45 -0.377 14.457 -1.683 1.00 0.00 C ATOM 630 C PRO A 45 -0.446 15.830 -1.022 1.00 0.00 C ATOM 631 O PRO A 45 -0.102 16.841 -1.635 1.00 0.00 O ATOM 632 CB PRO A 45 -1.223 14.434 -2.958 1.00 0.00 C ATOM 633 CG PRO A 45 -2.540 13.885 -2.531 1.00 0.00 C ATOM 634 CD PRO A 45 -2.241 12.904 -1.430 1.00 0.00 C ATOM 0 HA PRO A 45 0.684 14.278 -1.856 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.329 15.433 -3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.765 13.811 -3.726 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.198 14.679 -2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.047 13.396 -3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.039 12.876 -0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.128 11.890 -1.815 1.00 0.00 H new ATOM 642 N TRP A 46 -0.890 15.858 0.229 1.00 0.00 N ATOM 643 CA TRP A 46 -1.003 17.108 0.972 1.00 0.00 C ATOM 644 C TRP A 46 -0.126 17.080 2.219 1.00 0.00 C ATOM 645 O TRP A 46 0.119 18.116 2.839 1.00 0.00 O ATOM 646 CB TRP A 46 -2.460 17.363 1.363 1.00 0.00 C ATOM 647 CG TRP A 46 -3.077 16.229 2.125 1.00 0.00 C ATOM 648 CD1 TRP A 46 -4.034 15.365 1.675 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.782 15.840 3.471 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.351 14.461 2.661 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.597 14.731 3.772 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.908 16.319 4.450 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.562 14.096 5.010 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.875 15.688 5.679 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.697 14.586 5.951 1.00 0.00 C ATOM 0 H TRP A 46 -1.178 15.030 0.750 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.661 17.918 0.328 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.514 18.269 1.967 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.044 17.546 0.461 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.476 15.388 0.690 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -5.037 13.711 2.578 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.270 17.167 4.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.195 13.247 5.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.204 16.051 6.443 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.647 14.114 6.921 1.00 0.00 H new ATOM 666 N CYS A 47 0.343 15.892 2.581 1.00 0.00 N ATOM 667 CA CYS A 47 1.193 15.730 3.756 1.00 0.00 C ATOM 668 C CYS A 47 2.661 15.932 3.396 1.00 0.00 C ATOM 669 O CYS A 47 3.006 16.116 2.229 1.00 0.00 O ATOM 670 CB CYS A 47 0.991 14.345 4.371 1.00 0.00 C ATOM 671 SG CYS A 47 1.126 14.310 6.173 1.00 0.00 S ATOM 0 H CYS A 47 0.149 15.026 2.078 1.00 0.00 H new ATOM 0 HA CYS A 47 0.909 16.487 4.487 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.008 13.972 4.084 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.727 13.661 3.949 1.00 0.00 H new ATOM 0 HG CYS A 47 1.732 13.221 6.542 1.00 0.00 H new ATOM 677 N GLY A 48 3.523 15.896 4.408 1.00 0.00 N ATOM 678 CA GLY A 48 4.945 16.078 4.178 1.00 0.00 C ATOM 679 C GLY A 48 5.693 14.762 4.106 1.00 0.00 C ATOM 680 O GLY A 48 6.143 14.352 3.036 1.00 0.00 O ATOM 0 H GLY A 48 3.262 15.744 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.092 16.628 3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.364 16.688 4.978 1.00 0.00 H new ATOM 684 N HIS A 49 5.830 14.097 5.250 1.00 0.00 N ATOM 685 CA HIS A 49 6.531 12.820 5.313 1.00 0.00 C ATOM 686 C HIS A 49 6.088 11.901 4.178 1.00 0.00 C ATOM 687 O HIS A 49 6.864 11.074 3.698 1.00 0.00 O ATOM 688 CB HIS A 49 6.280 12.142 6.660 1.00 0.00 C ATOM 689 CG HIS A 49 4.871 12.280 7.147 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.545 12.856 8.357 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.698 11.914 6.578 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.233 12.836 8.512 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.696 12.270 7.447 1.00 0.00 N ATOM 0 H HIS A 49 5.465 14.422 6.145 1.00 0.00 H new ATOM 0 HA HIS A 49 7.598 13.014 5.206 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.524 11.083 6.575 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.956 12.567 7.403 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.212 13.238 9.027 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.574 11.432 5.620 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.692 13.218 9.365 1.00 0.00 H new ATOM 702 N CYS A 50 4.838 12.051 3.755 1.00 0.00 N ATOM 703 CA CYS A 50 4.292 11.233 2.678 1.00 0.00 C ATOM 704 C CYS A 50 4.973 11.555 1.352 1.00 0.00 C ATOM 705 O CYS A 50 5.466 10.661 0.664 1.00 0.00 O ATOM 706 CB CYS A 50 2.783 11.454 2.557 1.00 0.00 C ATOM 707 SG CYS A 50 1.816 10.682 3.875 1.00 0.00 S ATOM 0 H CYS A 50 4.183 12.731 4.141 1.00 0.00 H new ATOM 0 HA CYS A 50 4.481 10.187 2.918 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.583 12.525 2.554 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.445 11.064 1.597 1.00 0.00 H new ATOM 0 HG CYS A 50 0.553 10.927 3.687 1.00 0.00 H new ATOM 713 N GLN A 51 4.995 12.836 0.999 1.00 0.00 N ATOM 714 CA GLN A 51 5.614 13.275 -0.246 1.00 0.00 C ATOM 715 C GLN A 51 7.092 12.901 -0.280 1.00 0.00 C ATOM 716 O GLN A 51 7.713 12.884 -1.343 1.00 0.00 O ATOM 717 CB GLN A 51 5.453 14.787 -0.415 1.00 0.00 C ATOM 718 CG GLN A 51 4.005 15.248 -0.419 1.00 0.00 C ATOM 719 CD GLN A 51 3.874 16.758 -0.445 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.769 17.463 -0.912 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.754 17.264 0.059 1.00 0.00 N ATOM 0 H GLN A 51 4.591 13.588 1.557 1.00 0.00 H new ATOM 0 HA GLN A 51 5.111 12.770 -1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.984 15.293 0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.925 15.092 -1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.496 14.828 -1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.501 14.858 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.038 16.643 0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.610 18.274 0.069 1.00 0.00 H new ATOM 730 N ARG A 52 7.649 12.604 0.889 1.00 0.00 N ATOM 731 CA ARG A 52 9.055 12.232 0.993 1.00 0.00 C ATOM 732 C ARG A 52 9.233 10.726 0.826 1.00 0.00 C ATOM 733 O ARG A 52 10.357 10.224 0.787 1.00 0.00 O ATOM 734 CB ARG A 52 9.624 12.678 2.341 1.00 0.00 C ATOM 735 CG ARG A 52 9.218 14.087 2.738 1.00 0.00 C ATOM 736 CD ARG A 52 10.197 15.121 2.205 1.00 0.00 C ATOM 737 NE ARG A 52 11.297 15.363 3.135 1.00 0.00 N ATOM 738 CZ ARG A 52 11.198 16.149 4.201 1.00 0.00 C ATOM 739 NH1 ARG A 52 10.056 16.765 4.471 1.00 0.00 N ATOM 740 NH2 ARG A 52 12.244 16.320 5.000 1.00 0.00 N ATOM 0 H ARG A 52 7.148 12.614 1.778 1.00 0.00 H new ATOM 0 HA ARG A 52 9.598 12.735 0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.294 11.983 3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.712 12.620 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.219 14.300 2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.167 14.159 3.824 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.598 14.782 1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.670 16.056 2.016 1.00 0.00 H new ATOM 0 HE ARG A 52 12.190 14.903 2.956 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.250 16.636 3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.983 17.368 5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.125 15.848 4.795 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.167 16.924 5.818 1.00 0.00 H new ATOM 754 N LEU A 53 8.118 10.011 0.728 1.00 0.00 N ATOM 755 CA LEU A 53 8.150 8.562 0.566 1.00 0.00 C ATOM 756 C LEU A 53 7.915 8.172 -0.890 1.00 0.00 C ATOM 757 O LEU A 53 7.771 6.992 -1.213 1.00 0.00 O ATOM 758 CB LEU A 53 7.095 7.905 1.458 1.00 0.00 C ATOM 759 CG LEU A 53 7.181 6.385 1.592 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.507 5.977 2.214 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.017 5.855 2.417 1.00 0.00 C ATOM 0 H LEU A 53 7.180 10.411 0.758 1.00 0.00 H new ATOM 0 HA LEU A 53 9.138 8.210 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.167 8.342 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.109 8.160 1.069 1.00 0.00 H new ATOM 0 HG LEU A 53 7.122 5.949 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.549 4.891 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.326 6.323 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.597 6.424 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.095 4.771 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.044 6.300 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.077 6.114 1.929 1.00 0.00 H new ATOM 773 N THR A 54 7.879 9.171 -1.767 1.00 0.00 N ATOM 774 CA THR A 54 7.663 8.932 -3.188 1.00 0.00 C ATOM 775 C THR A 54 8.852 8.211 -3.812 1.00 0.00 C ATOM 776 O THR A 54 8.708 7.180 -4.470 1.00 0.00 O ATOM 777 CB THR A 54 7.420 10.250 -3.948 1.00 0.00 C ATOM 778 OG1 THR A 54 6.929 11.251 -3.049 1.00 0.00 O ATOM 779 CG2 THR A 54 6.426 10.047 -5.081 1.00 0.00 C ATOM 0 H THR A 54 7.997 10.153 -1.517 1.00 0.00 H new ATOM 0 HA THR A 54 6.776 8.303 -3.271 1.00 0.00 H new ATOM 0 HB THR A 54 8.369 10.578 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.682 11.761 -2.684 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.271 10.991 -5.603 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.816 9.307 -5.779 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.477 9.697 -4.674 1.00 0.00 H new ATOM 787 N PRO A 55 10.056 8.762 -3.602 1.00 0.00 N ATOM 788 CA PRO A 55 11.294 8.186 -4.134 1.00 0.00 C ATOM 789 C PRO A 55 11.666 6.875 -3.449 1.00 0.00 C ATOM 790 O PRO A 55 12.273 5.996 -4.059 1.00 0.00 O ATOM 791 CB PRO A 55 12.342 9.261 -3.837 1.00 0.00 C ATOM 792 CG PRO A 55 11.797 10.009 -2.669 1.00 0.00 C ATOM 793 CD PRO A 55 10.302 9.990 -2.827 1.00 0.00 C ATOM 0 HA PRO A 55 11.206 7.938 -5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.310 8.817 -3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.489 9.918 -4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.096 9.541 -1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.175 11.031 -2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.796 9.964 -1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.942 10.875 -3.352 1.00 0.00 H new ATOM 801 N GLU A 56 11.297 6.752 -2.178 1.00 0.00 N ATOM 802 CA GLU A 56 11.592 5.548 -1.410 1.00 0.00 C ATOM 803 C GLU A 56 10.677 4.400 -1.825 1.00 0.00 C ATOM 804 O GLU A 56 11.120 3.260 -1.968 1.00 0.00 O ATOM 805 CB GLU A 56 11.440 5.821 0.088 1.00 0.00 C ATOM 806 CG GLU A 56 12.448 6.820 0.630 1.00 0.00 C ATOM 807 CD GLU A 56 12.118 7.276 2.039 1.00 0.00 C ATOM 808 OE1 GLU A 56 11.210 8.119 2.193 1.00 0.00 O ATOM 809 OE2 GLU A 56 12.767 6.787 2.987 1.00 0.00 O ATOM 0 H GLU A 56 10.793 7.471 -1.659 1.00 0.00 H new ATOM 0 HA GLU A 56 12.623 5.260 -1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.433 6.192 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.543 4.882 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.441 6.370 0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.485 7.687 -0.029 1.00 0.00 H new ATOM 816 N TRP A 57 9.400 4.709 -2.016 1.00 0.00 N ATOM 817 CA TRP A 57 8.421 3.704 -2.414 1.00 0.00 C ATOM 818 C TRP A 57 8.664 3.246 -3.848 1.00 0.00 C ATOM 819 O TRP A 57 8.636 2.051 -4.142 1.00 0.00 O ATOM 820 CB TRP A 57 7.003 4.259 -2.276 1.00 0.00 C ATOM 821 CG TRP A 57 5.949 3.195 -2.238 1.00 0.00 C ATOM 822 CD1 TRP A 57 4.839 3.111 -3.030 1.00 0.00 C ATOM 823 CD2 TRP A 57 5.905 2.063 -1.361 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.108 1.996 -2.698 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.741 1.336 -1.678 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.736 1.593 -0.342 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.390 0.166 -1.010 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.386 0.432 0.321 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.222 -0.272 -0.016 1.00 0.00 C ATOM 0 H TRP A 57 9.018 5.648 -1.902 1.00 0.00 H new ATOM 0 HA TRP A 57 8.532 2.844 -1.754 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.941 4.854 -1.365 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.801 4.931 -3.110 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.575 3.817 -3.803 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.235 1.707 -3.140 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.636 2.127 -0.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.493 -0.377 -1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.020 0.061 1.112 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.977 -1.178 0.519 1.00 0.00 H new ATOM 840 N LYS A 58 8.901 4.203 -4.738 1.00 0.00 N ATOM 841 CA LYS A 58 9.150 3.899 -6.142 1.00 0.00 C ATOM 842 C LYS A 58 10.338 2.954 -6.292 1.00 0.00 C ATOM 843 O LYS A 58 10.230 1.897 -6.915 1.00 0.00 O ATOM 844 CB LYS A 58 9.408 5.187 -6.927 1.00 0.00 C ATOM 845 CG LYS A 58 8.139 5.894 -7.371 1.00 0.00 C ATOM 846 CD LYS A 58 8.449 7.116 -8.218 1.00 0.00 C ATOM 847 CE LYS A 58 7.205 7.960 -8.454 1.00 0.00 C ATOM 848 NZ LYS A 58 7.456 9.056 -9.431 1.00 0.00 N ATOM 0 H LYS A 58 8.926 5.197 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 58 8.264 3.408 -6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.996 5.867 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.010 4.953 -7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.517 5.204 -7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.563 6.194 -6.495 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.211 7.719 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.863 6.801 -9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.399 7.324 -8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.870 8.386 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.585 9.608 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.208 9.677 -9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.751 8.649 -10.341 1.00 0.00 H new ATOM 862 N LYS A 59 11.471 3.339 -5.715 1.00 0.00 N ATOM 863 CA LYS A 59 12.679 2.526 -5.782 1.00 0.00 C ATOM 864 C LYS A 59 12.354 1.051 -5.567 1.00 0.00 C ATOM 865 O LYS A 59 12.735 0.199 -6.369 1.00 0.00 O ATOM 866 CB LYS A 59 13.692 2.993 -4.733 1.00 0.00 C ATOM 867 CG LYS A 59 14.636 4.070 -5.238 1.00 0.00 C ATOM 868 CD LYS A 59 15.708 4.398 -4.212 1.00 0.00 C ATOM 869 CE LYS A 59 15.216 5.422 -3.201 1.00 0.00 C ATOM 870 NZ LYS A 59 16.264 5.758 -2.197 1.00 0.00 N ATOM 0 H LYS A 59 11.578 4.210 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 59 13.112 2.645 -6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.154 3.371 -3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.277 2.136 -4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.106 3.738 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.069 4.971 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.007 3.487 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.593 4.782 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.909 6.329 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.335 5.034 -2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.890 6.459 -1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.540 4.898 -1.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.095 6.152 -2.682 1.00 0.00 H new ATOM 884 N ALA A 60 11.647 0.757 -4.481 1.00 0.00 N ATOM 885 CA ALA A 60 11.268 -0.614 -4.164 1.00 0.00 C ATOM 886 C ALA A 60 10.390 -1.208 -5.260 1.00 0.00 C ATOM 887 O ALA A 60 10.548 -2.370 -5.633 1.00 0.00 O ATOM 888 CB ALA A 60 10.550 -0.667 -2.823 1.00 0.00 C ATOM 0 H ALA A 60 11.325 1.450 -3.806 1.00 0.00 H new ATOM 0 HA ALA A 60 12.178 -1.211 -4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.273 -1.697 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.210 -0.291 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.652 -0.051 -2.867 1.00 0.00 H new ATOM 894 N ALA A 61 9.463 -0.404 -5.771 1.00 0.00 N ATOM 895 CA ALA A 61 8.561 -0.850 -6.825 1.00 0.00 C ATOM 896 C ALA A 61 9.336 -1.275 -8.068 1.00 0.00 C ATOM 897 O ALA A 61 8.897 -2.146 -8.819 1.00 0.00 O ATOM 898 CB ALA A 61 7.568 0.250 -7.170 1.00 0.00 C ATOM 0 H ALA A 61 9.317 0.560 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 61 8.013 -1.717 -6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.900 -0.097 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.984 0.503 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.108 1.133 -7.513 1.00 0.00 H new ATOM 904 N THR A 62 10.492 -0.653 -8.280 1.00 0.00 N ATOM 905 CA THR A 62 11.327 -0.965 -9.433 1.00 0.00 C ATOM 906 C THR A 62 11.942 -2.354 -9.306 1.00 0.00 C ATOM 907 O THR A 62 11.939 -3.134 -10.258 1.00 0.00 O ATOM 908 CB THR A 62 12.454 0.070 -9.607 1.00 0.00 C ATOM 909 OG1 THR A 62 11.904 1.392 -9.649 1.00 0.00 O ATOM 910 CG2 THR A 62 13.243 -0.197 -10.880 1.00 0.00 C ATOM 0 H THR A 62 10.871 0.070 -7.668 1.00 0.00 H new ATOM 0 HA THR A 62 10.680 -0.936 -10.310 1.00 0.00 H new ATOM 0 HB THR A 62 13.129 -0.015 -8.756 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.627 2.044 -9.758 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.033 0.547 -10.981 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.685 -1.192 -10.832 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.576 -0.137 -11.740 1.00 0.00 H new ATOM 918 N ALA A 63 12.469 -2.656 -8.124 1.00 0.00 N ATOM 919 CA ALA A 63 13.086 -3.953 -7.873 1.00 0.00 C ATOM 920 C ALA A 63 12.031 -5.043 -7.723 1.00 0.00 C ATOM 921 O ALA A 63 12.174 -6.139 -8.267 1.00 0.00 O ATOM 922 CB ALA A 63 13.961 -3.889 -6.629 1.00 0.00 C ATOM 0 H ALA A 63 12.481 -2.021 -7.326 1.00 0.00 H new ATOM 0 HA ALA A 63 13.710 -4.203 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.415 -4.864 -6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.744 -3.144 -6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.351 -3.613 -5.769 1.00 0.00 H new ATOM 928 N LEU A 64 10.971 -4.737 -6.983 1.00 0.00 N ATOM 929 CA LEU A 64 9.891 -5.692 -6.762 1.00 0.00 C ATOM 930 C LEU A 64 8.846 -5.598 -7.869 1.00 0.00 C ATOM 931 O LEU A 64 7.760 -6.169 -7.763 1.00 0.00 O ATOM 932 CB LEU A 64 9.234 -5.443 -5.403 1.00 0.00 C ATOM 933 CG LEU A 64 10.185 -5.306 -4.213 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.467 -4.684 -3.025 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.767 -6.661 -3.837 1.00 0.00 C ATOM 0 H LEU A 64 10.836 -3.835 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 64 10.318 -6.695 -6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.637 -4.534 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.545 -6.263 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 64 11.005 -4.648 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.159 -4.594 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.099 -3.695 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.627 -5.316 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.441 -6.545 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.959 -7.342 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.318 -7.068 -4.685 1.00 0.00 H new ATOM 947 N LYS A 65 9.181 -4.876 -8.933 1.00 0.00 N ATOM 948 CA LYS A 65 8.274 -4.710 -10.062 1.00 0.00 C ATOM 949 C LYS A 65 7.797 -6.063 -10.580 1.00 0.00 C ATOM 950 O LYS A 65 6.609 -6.253 -10.843 1.00 0.00 O ATOM 951 CB LYS A 65 8.965 -3.936 -11.188 1.00 0.00 C ATOM 952 CG LYS A 65 8.311 -4.124 -12.545 1.00 0.00 C ATOM 953 CD LYS A 65 8.954 -3.241 -13.601 1.00 0.00 C ATOM 954 CE LYS A 65 8.368 -1.837 -13.586 1.00 0.00 C ATOM 955 NZ LYS A 65 7.031 -1.787 -14.242 1.00 0.00 N ATOM 0 H LYS A 65 10.075 -4.396 -9.037 1.00 0.00 H new ATOM 0 HA LYS A 65 7.407 -4.145 -9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.968 -2.875 -10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.006 -4.252 -11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.389 -5.169 -12.846 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.248 -3.892 -12.473 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.029 -3.190 -13.428 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.810 -3.686 -14.586 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.280 -1.491 -12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.048 -1.154 -14.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.696 -0.803 -14.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.106 -2.157 -15.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.357 -2.366 -13.701 1.00 0.00 H new ATOM 969 N ASP A 66 8.728 -6.999 -10.722 1.00 0.00 N ATOM 970 CA ASP A 66 8.402 -8.336 -11.206 1.00 0.00 C ATOM 971 C ASP A 66 8.246 -9.311 -10.044 1.00 0.00 C ATOM 972 O ASP A 66 7.609 -10.356 -10.178 1.00 0.00 O ATOM 973 CB ASP A 66 9.485 -8.833 -12.164 1.00 0.00 C ATOM 974 CG ASP A 66 9.313 -8.285 -13.567 1.00 0.00 C ATOM 975 OD1 ASP A 66 9.238 -7.047 -13.716 1.00 0.00 O ATOM 976 OD2 ASP A 66 9.256 -9.094 -14.516 1.00 0.00 O ATOM 0 H ASP A 66 9.715 -6.857 -10.509 1.00 0.00 H new ATOM 0 HA ASP A 66 7.454 -8.281 -11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.464 -8.544 -11.782 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.464 -9.922 -12.197 1.00 0.00 H new ATOM 981 N VAL A 67 8.832 -8.963 -8.903 1.00 0.00 N ATOM 982 CA VAL A 67 8.759 -9.808 -7.717 1.00 0.00 C ATOM 983 C VAL A 67 7.455 -9.580 -6.960 1.00 0.00 C ATOM 984 O VAL A 67 6.575 -10.441 -6.946 1.00 0.00 O ATOM 985 CB VAL A 67 9.943 -9.547 -6.767 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.172 -10.743 -5.857 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.200 -9.221 -7.560 1.00 0.00 C ATOM 0 H VAL A 67 9.363 -8.101 -8.775 1.00 0.00 H new ATOM 0 HA VAL A 67 8.801 -10.841 -8.062 1.00 0.00 H new ATOM 0 HB VAL A 67 9.702 -8.687 -6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.012 -10.540 -5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.276 -10.925 -5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.392 -11.623 -6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.027 -9.039 -6.873 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.447 -10.059 -8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.028 -8.330 -8.164 1.00 0.00 H new ATOM 997 N VAL A 68 7.338 -8.415 -6.331 1.00 0.00 N ATOM 998 CA VAL A 68 6.140 -8.072 -5.573 1.00 0.00 C ATOM 999 C VAL A 68 5.471 -6.824 -6.137 1.00 0.00 C ATOM 1000 O VAL A 68 6.049 -5.737 -6.124 1.00 0.00 O ATOM 1001 CB VAL A 68 6.465 -7.841 -4.086 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.210 -7.454 -3.319 1.00 0.00 C ATOM 1003 CG2 VAL A 68 7.108 -9.080 -3.482 1.00 0.00 C ATOM 0 H VAL A 68 8.058 -7.693 -6.331 1.00 0.00 H new ATOM 0 HA VAL A 68 5.457 -8.917 -5.661 1.00 0.00 H new ATOM 0 HB VAL A 68 7.176 -7.018 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.459 -7.295 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.797 -6.536 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.473 -8.253 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.331 -8.898 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.423 -9.924 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.032 -9.307 -4.015 1.00 0.00 H new ATOM 1013 N LYS A 69 4.249 -6.986 -6.631 1.00 0.00 N ATOM 1014 CA LYS A 69 3.498 -5.873 -7.199 1.00 0.00 C ATOM 1015 C LYS A 69 3.354 -4.741 -6.186 1.00 0.00 C ATOM 1016 O LYS A 69 2.533 -4.815 -5.271 1.00 0.00 O ATOM 1017 CB LYS A 69 2.115 -6.342 -7.655 1.00 0.00 C ATOM 1018 CG LYS A 69 2.150 -7.227 -8.890 1.00 0.00 C ATOM 1019 CD LYS A 69 2.050 -6.407 -10.165 1.00 0.00 C ATOM 1020 CE LYS A 69 2.414 -7.235 -11.389 1.00 0.00 C ATOM 1021 NZ LYS A 69 1.505 -8.403 -11.558 1.00 0.00 N ATOM 0 H LYS A 69 3.757 -7.879 -6.650 1.00 0.00 H new ATOM 0 HA LYS A 69 4.050 -5.498 -8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.639 -6.888 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.494 -5.470 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.074 -7.805 -8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.328 -7.942 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.036 -6.022 -10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.713 -5.544 -10.097 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.368 -6.607 -12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.442 -7.585 -11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.709 -8.873 -12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.654 -9.074 -10.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.517 -8.078 -11.551 1.00 0.00 H new ATOM 1035 N VAL A 70 4.156 -3.695 -6.355 1.00 0.00 N ATOM 1036 CA VAL A 70 4.115 -2.547 -5.457 1.00 0.00 C ATOM 1037 C VAL A 70 3.286 -1.414 -6.051 1.00 0.00 C ATOM 1038 O VAL A 70 3.741 -0.699 -6.942 1.00 0.00 O ATOM 1039 CB VAL A 70 5.531 -2.025 -5.149 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.466 -0.806 -4.242 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.378 -3.122 -4.521 1.00 0.00 C ATOM 0 H VAL A 70 4.842 -3.619 -7.106 1.00 0.00 H new ATOM 0 HA VAL A 70 3.651 -2.886 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 70 6.001 -1.726 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.476 -0.452 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.898 -0.016 -4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.977 -1.075 -3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.375 -2.736 -4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.913 -3.454 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.453 -3.963 -5.210 1.00 0.00 H new ATOM 1051 N GLY A 71 2.065 -1.255 -5.549 1.00 0.00 N ATOM 1052 CA GLY A 71 1.191 -0.207 -6.041 1.00 0.00 C ATOM 1053 C GLY A 71 1.277 1.058 -5.210 1.00 0.00 C ATOM 1054 O GLY A 71 2.304 1.332 -4.590 1.00 0.00 O ATOM 0 H GLY A 71 1.666 -1.834 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.450 0.023 -7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.162 -0.567 -6.043 1.00 0.00 H new ATOM 1058 N ALA A 72 0.196 1.831 -5.197 1.00 0.00 N ATOM 1059 CA ALA A 72 0.154 3.073 -4.436 1.00 0.00 C ATOM 1060 C ALA A 72 -1.242 3.685 -4.461 1.00 0.00 C ATOM 1061 O ALA A 72 -1.767 4.015 -5.525 1.00 0.00 O ATOM 1062 CB ALA A 72 1.176 4.061 -4.980 1.00 0.00 C ATOM 0 H ALA A 72 -0.663 1.619 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 72 0.403 2.844 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.133 4.984 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.175 3.631 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.953 4.277 -6.025 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.839 3.835 -3.283 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.175 4.408 -3.170 1.00 0.00 C ATOM 1070 C VAL A 73 -3.145 5.726 -2.405 1.00 0.00 C ATOM 1071 O VAL A 73 -2.649 5.791 -1.281 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.144 3.440 -2.465 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.300 4.204 -1.838 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.654 2.392 -3.443 1.00 0.00 C ATOM 0 H VAL A 73 -1.418 3.568 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.528 4.588 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.604 2.928 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.974 3.504 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.913 4.912 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.843 4.744 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.337 1.716 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.178 2.884 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.812 1.824 -3.840 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.678 6.775 -3.023 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.712 8.093 -2.399 1.00 0.00 C ATOM 1086 C ASN A 74 -4.810 8.167 -1.342 1.00 0.00 C ATOM 1087 O ASN A 74 -5.966 8.452 -1.652 1.00 0.00 O ATOM 1088 CB ASN A 74 -3.935 9.175 -3.458 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.138 10.548 -2.847 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -3.956 10.738 -1.644 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.517 11.514 -3.676 1.00 0.00 N ATOM 0 H ASN A 74 -4.092 6.738 -3.954 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.752 8.262 -1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.078 9.203 -4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.806 8.916 -4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.669 12.459 -3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.656 11.311 -4.666 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.438 7.909 -0.092 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.390 7.948 1.011 1.00 0.00 C ATOM 1100 C ALA A 75 -6.283 9.181 0.922 1.00 0.00 C ATOM 1101 O ALA A 75 -7.477 9.117 1.215 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.655 7.921 2.343 1.00 0.00 C ATOM 0 H ALA A 75 -3.485 7.671 0.182 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.026 7.066 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.378 7.951 3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.065 7.007 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.995 8.786 2.412 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.696 10.302 0.517 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.439 11.551 0.390 1.00 0.00 C ATOM 1110 C ASP A 76 -7.545 11.421 -0.653 1.00 0.00 C ATOM 1111 O ASP A 76 -8.686 11.821 -0.417 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.496 12.694 0.011 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.205 14.032 -0.057 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -7.018 14.318 0.847 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -5.949 14.792 -1.015 1.00 0.00 O ATOM 0 H ASP A 76 -4.709 10.372 0.271 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.897 11.773 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.688 12.751 0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.039 12.479 -0.955 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.200 10.861 -1.807 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.163 10.677 -2.887 1.00 0.00 C ATOM 1122 C LYS A 77 -9.019 9.438 -2.648 1.00 0.00 C ATOM 1123 O LYS A 77 -10.243 9.527 -2.544 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.438 10.558 -4.229 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.338 10.116 -5.370 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.540 9.484 -6.498 1.00 0.00 C ATOM 1127 CE LYS A 77 -6.871 10.539 -7.366 1.00 0.00 C ATOM 1128 NZ LYS A 77 -7.810 11.104 -8.374 1.00 0.00 N ATOM 0 H LYS A 77 -6.260 10.526 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.817 11.549 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.995 11.522 -4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.618 9.847 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.073 9.402 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.891 10.974 -5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.783 8.820 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.199 8.870 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.491 11.341 -6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.013 10.100 -7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.317 11.819 -8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.154 10.343 -8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.616 11.546 -7.888 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.368 8.282 -2.560 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.070 7.024 -2.331 1.00 0.00 C ATOM 1144 C HIS A 78 -9.397 6.847 -0.851 1.00 0.00 C ATOM 1145 O HIS A 78 -9.279 5.749 -0.308 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.228 5.848 -2.823 1.00 0.00 C ATOM 1147 CG HIS A 78 -7.815 5.966 -4.258 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -6.636 5.699 -4.866 1.00 0.00 N flip ATOM 1149 CD2 HIS A 78 -8.664 6.408 -5.251 1.00 0.00 C flip ATOM 1150 CE1 HIS A 78 -6.792 5.980 -6.201 1.00 0.00 C flip ATOM 1151 NE2 HIS A 78 -8.025 6.405 -6.407 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.356 8.191 -2.644 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.004 7.051 -2.892 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.336 5.766 -2.202 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.794 4.926 -2.691 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.691 6.709 -5.106 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.030 5.871 -6.959 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.417 6.684 -7.306 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.808 7.934 -0.206 1.00 0.00 N ATOM 1161 CA GLN A 79 -10.150 7.897 1.211 1.00 0.00 C ATOM 1162 C GLN A 79 -10.965 6.651 1.542 1.00 0.00 C ATOM 1163 O GLN A 79 -10.804 6.058 2.609 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.934 9.152 1.601 1.00 0.00 C ATOM 1165 CG GLN A 79 -10.050 10.331 1.971 1.00 0.00 C ATOM 1166 CD GLN A 79 -10.832 11.620 2.130 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -12.063 11.613 2.158 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -10.119 12.736 2.236 1.00 0.00 N ATOM 0 H GLN A 79 -9.912 8.850 -0.642 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.222 7.864 1.782 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.580 9.439 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.584 8.917 2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.528 10.110 2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.289 10.465 1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.100 12.695 2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.590 13.634 2.346 1.00 0.00 H new ATOM 1177 N SER A 80 -11.840 6.260 0.621 1.00 0.00 N ATOM 1178 CA SER A 80 -12.683 5.086 0.817 1.00 0.00 C ATOM 1179 C SER A 80 -11.834 3.834 1.016 1.00 0.00 C ATOM 1180 O SER A 80 -12.063 3.054 1.941 1.00 0.00 O ATOM 1181 CB SER A 80 -13.618 4.898 -0.379 1.00 0.00 C ATOM 1182 OG SER A 80 -14.563 3.872 -0.131 1.00 0.00 O ATOM 0 H SER A 80 -11.984 6.739 -0.268 1.00 0.00 H new ATOM 0 HA SER A 80 -13.281 5.244 1.715 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.138 5.833 -0.589 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.034 4.652 -1.266 1.00 0.00 H new ATOM 0 HG SER A 80 -15.150 3.772 -0.910 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.852 3.648 0.140 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.967 2.491 0.217 1.00 0.00 C ATOM 1190 C LEU A 81 -9.252 2.441 1.564 1.00 0.00 C ATOM 1191 O LEU A 81 -9.497 1.550 2.376 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.941 2.533 -0.916 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.477 2.238 -2.318 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.364 2.350 -3.349 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.114 0.858 -2.366 1.00 0.00 C ATOM 0 H LEU A 81 -10.649 4.284 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.575 1.592 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.480 3.521 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.152 1.815 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.242 2.977 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.764 2.137 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.953 3.359 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.577 1.634 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.490 0.665 -3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.370 0.105 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.939 0.813 -1.655 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.368 3.407 1.795 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.633 3.456 3.045 1.00 0.00 C ATOM 1209 C GLY A 82 -8.518 3.200 4.249 1.00 0.00 C ATOM 1210 O GLY A 82 -8.334 2.218 4.967 1.00 0.00 O ATOM 0 H GLY A 82 -8.148 4.156 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.833 2.716 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.160 4.433 3.147 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.483 4.088 4.472 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.384 3.937 5.599 1.00 0.00 C ATOM 1216 C GLY A 83 -11.022 2.563 5.651 1.00 0.00 C ATOM 1217 O GLY A 83 -11.082 1.940 6.710 1.00 0.00 O ATOM 0 H GLY A 83 -9.656 4.909 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.836 4.115 6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.165 4.695 5.540 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.501 2.090 4.504 1.00 0.00 N ATOM 1222 CA GLN A 84 -12.139 0.782 4.425 1.00 0.00 C ATOM 1223 C GLN A 84 -11.290 -0.281 5.113 1.00 0.00 C ATOM 1224 O GLN A 84 -11.789 -1.342 5.489 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.377 0.395 2.964 1.00 0.00 C ATOM 1226 CG GLN A 84 -13.032 -0.966 2.795 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.660 -1.145 1.427 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.879 -1.059 1.274 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.829 -1.397 0.422 1.00 0.00 N ATOM 0 H GLN A 84 -11.459 2.593 3.618 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.098 0.842 4.939 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.005 1.152 2.494 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.424 0.398 2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.287 -1.746 2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.796 -1.095 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.825 -1.460 0.594 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.194 -1.528 -0.521 1.00 0.00 H new ATOM 1238 N TYR A 85 -10.004 0.010 5.275 1.00 0.00 N ATOM 1239 CA TYR A 85 -9.084 -0.922 5.916 1.00 0.00 C ATOM 1240 C TYR A 85 -8.783 -0.493 7.348 1.00 0.00 C ATOM 1241 O TYR A 85 -8.685 -1.324 8.251 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.783 -1.019 5.117 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.893 -1.889 3.885 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.673 -1.501 2.803 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -7.216 -3.100 3.804 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.777 -2.293 1.676 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.313 -3.898 2.680 1.00 0.00 C ATOM 1248 CZ TYR A 85 -8.094 -3.491 1.619 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.194 -4.283 0.499 1.00 0.00 O ATOM 0 H TYR A 85 -9.575 0.884 4.971 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.561 -1.902 5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.475 -0.017 4.818 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.999 -1.415 5.762 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.208 -0.563 2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.604 -3.423 4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.389 -1.977 0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.780 -4.836 2.633 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.642 -3.907 -0.218 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.637 0.814 7.549 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.349 1.333 8.874 1.00 0.00 C ATOM 1261 C GLY A 86 -7.219 2.344 8.867 1.00 0.00 C ATOM 1262 O GLY A 86 -6.507 2.496 9.860 1.00 0.00 O ATOM 0 H GLY A 86 -8.713 1.522 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.246 1.798 9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.089 0.507 9.536 1.00 0.00 H new ATOM 1266 N VAL A 87 -7.053 3.036 7.744 1.00 0.00 N ATOM 1267 CA VAL A 87 -6.001 4.037 7.612 1.00 0.00 C ATOM 1268 C VAL A 87 -6.442 5.377 8.190 1.00 0.00 C ATOM 1269 O VAL A 87 -7.346 6.023 7.662 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.596 4.234 6.139 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.446 5.224 6.029 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.225 2.901 5.506 1.00 0.00 C ATOM 0 H VAL A 87 -7.633 2.922 6.913 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.141 3.669 8.172 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.449 4.643 5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.174 5.350 4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.752 6.185 6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.587 4.847 6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.941 3.059 4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.387 2.462 6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.080 2.226 5.551 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.797 5.787 9.277 1.00 0.00 N ATOM 1283 CA GLN A 88 -6.123 7.051 9.927 1.00 0.00 C ATOM 1284 C GLN A 88 -4.928 7.998 9.908 1.00 0.00 C ATOM 1285 O GLN A 88 -5.090 9.217 9.875 1.00 0.00 O ATOM 1286 CB GLN A 88 -6.572 6.806 11.369 1.00 0.00 C ATOM 1287 CG GLN A 88 -5.516 6.129 12.228 1.00 0.00 C ATOM 1288 CD GLN A 88 -5.802 6.255 13.711 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -6.896 6.652 14.113 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -4.817 5.917 14.535 1.00 0.00 N ATOM 0 H GLN A 88 -5.046 5.263 9.726 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.939 7.515 9.373 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.842 7.759 11.824 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.472 6.190 11.361 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.458 5.074 11.961 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.541 6.567 12.011 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.926 5.593 14.159 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.951 5.981 15.544 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.727 7.428 9.928 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.522 8.236 9.913 1.00 0.00 C ATOM 1301 C GLY A 89 -1.499 7.734 8.913 1.00 0.00 C ATOM 1302 O GLY A 89 -1.038 6.596 9.004 1.00 0.00 O ATOM 0 H GLY A 89 -3.567 6.421 9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.783 9.267 9.675 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.079 8.241 10.909 1.00 0.00 H new ATOM 1306 N PHE A 90 -1.146 8.583 7.954 1.00 0.00 N ATOM 1307 CA PHE A 90 -0.173 8.218 6.930 1.00 0.00 C ATOM 1308 C PHE A 90 1.205 8.781 7.264 1.00 0.00 C ATOM 1309 O PHE A 90 1.351 9.687 8.085 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.627 8.727 5.561 1.00 0.00 C ATOM 1311 CG PHE A 90 -2.085 9.084 5.507 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -3.035 8.264 6.094 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.506 10.241 4.870 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.377 8.590 6.046 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.847 10.572 4.819 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.784 9.746 5.408 1.00 0.00 C ATOM 0 H PHE A 90 -1.519 9.528 7.864 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.104 7.131 6.901 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.037 9.603 5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.420 7.963 4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.723 7.359 6.595 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.778 10.891 4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.107 7.942 6.507 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.162 11.476 4.319 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.832 10.003 5.370 1.00 0.00 H new ATOM 1326 N PRO A 91 2.241 8.233 6.612 1.00 0.00 N ATOM 1327 CA PRO A 91 2.079 7.155 5.632 1.00 0.00 C ATOM 1328 C PRO A 91 1.666 5.839 6.282 1.00 0.00 C ATOM 1329 O PRO A 91 1.995 5.575 7.439 1.00 0.00 O ATOM 1330 CB PRO A 91 3.472 7.029 5.009 1.00 0.00 C ATOM 1331 CG PRO A 91 4.402 7.543 6.054 1.00 0.00 C ATOM 1332 CD PRO A 91 3.651 8.624 6.781 1.00 0.00 C ATOM 0 HA PRO A 91 1.293 7.375 4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.699 5.994 4.752 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.549 7.610 4.090 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.700 6.747 6.737 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.314 7.936 5.605 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.932 8.670 7.833 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.849 9.607 6.355 1.00 0.00 H new ATOM 1340 N THR A 92 0.943 5.014 5.531 1.00 0.00 N ATOM 1341 CA THR A 92 0.484 3.726 6.034 1.00 0.00 C ATOM 1342 C THR A 92 0.679 2.628 4.994 1.00 0.00 C ATOM 1343 O THR A 92 -0.010 2.597 3.974 1.00 0.00 O ATOM 1344 CB THR A 92 -1.002 3.777 6.437 1.00 0.00 C ATOM 1345 OG1 THR A 92 -1.192 4.733 7.486 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.485 2.410 6.896 1.00 0.00 C ATOM 0 H THR A 92 0.663 5.216 4.571 1.00 0.00 H new ATOM 0 HA THR A 92 1.084 3.499 6.915 1.00 0.00 H new ATOM 0 HB THR A 92 -1.583 4.076 5.564 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.321 5.074 7.780 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.537 2.471 7.175 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.366 1.691 6.086 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.899 2.087 7.757 1.00 0.00 H new ATOM 1354 N ILE A 93 1.621 1.729 5.259 1.00 0.00 N ATOM 1355 CA ILE A 93 1.905 0.629 4.346 1.00 0.00 C ATOM 1356 C ILE A 93 1.189 -0.645 4.782 1.00 0.00 C ATOM 1357 O ILE A 93 1.050 -0.916 5.975 1.00 0.00 O ATOM 1358 CB ILE A 93 3.417 0.349 4.254 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.152 1.577 3.712 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.678 -0.863 3.374 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.582 1.686 4.194 1.00 0.00 C ATOM 0 H ILE A 93 2.200 1.741 6.098 1.00 0.00 H new ATOM 0 HA ILE A 93 1.540 0.931 3.364 1.00 0.00 H new ATOM 0 HB ILE A 93 3.794 0.135 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.146 1.543 2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.608 2.475 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.751 -1.048 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.181 -1.735 3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.290 -0.676 2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.042 2.579 3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.595 1.752 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.141 0.805 3.877 1.00 0.00 H new ATOM 1373 N LYS A 94 0.738 -1.427 3.807 1.00 0.00 N ATOM 1374 CA LYS A 94 0.039 -2.675 4.088 1.00 0.00 C ATOM 1375 C LYS A 94 0.522 -3.789 3.164 1.00 0.00 C ATOM 1376 O LYS A 94 0.752 -3.566 1.975 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.471 -2.485 3.929 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.120 -1.767 5.099 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.546 -2.741 6.185 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.475 -2.081 7.192 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.627 -2.900 8.426 1.00 0.00 N ATOM 0 H LYS A 94 0.844 -1.218 2.814 1.00 0.00 H new ATOM 0 HA LYS A 94 0.257 -2.960 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.664 -1.922 3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.941 -3.461 3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.421 -1.041 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.988 -1.209 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.047 -3.596 5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.664 -3.124 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.086 -1.097 7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.453 -1.926 6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.268 -2.416 9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.022 -3.830 8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.698 -3.027 8.875 1.00 0.00 H new ATOM 1395 N ILE A 95 0.673 -4.987 3.718 1.00 0.00 N ATOM 1396 CA ILE A 95 1.126 -6.135 2.942 1.00 0.00 C ATOM 1397 C ILE A 95 -0.034 -7.068 2.612 1.00 0.00 C ATOM 1398 O ILE A 95 -0.850 -7.391 3.476 1.00 0.00 O ATOM 1399 CB ILE A 95 2.211 -6.929 3.693 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.503 -6.114 3.778 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.464 -8.262 3.004 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.465 -6.616 4.833 1.00 0.00 C ATOM 0 H ILE A 95 0.488 -5.188 4.701 1.00 0.00 H new ATOM 0 HA ILE A 95 1.549 -5.743 2.017 1.00 0.00 H new ATOM 0 HB ILE A 95 1.860 -7.126 4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.999 -6.132 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.254 -5.074 3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.233 -8.812 3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.543 -8.845 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.797 -8.085 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.358 -5.992 4.837 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.987 -6.572 5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.743 -7.646 4.611 1.00 0.00 H new ATOM 1414 N PHE A 96 -0.101 -7.500 1.357 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.161 -8.397 0.912 1.00 0.00 C ATOM 1416 C PHE A 96 -0.587 -9.738 0.466 1.00 0.00 C ATOM 1417 O PHE A 96 0.292 -9.795 -0.392 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.950 -7.760 -0.234 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.904 -6.691 0.215 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.436 -5.448 0.611 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.269 -6.929 0.243 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.311 -4.462 1.024 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -5.149 -5.946 0.656 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.669 -4.712 1.048 1.00 0.00 C ATOM 0 H PHE A 96 0.567 -7.243 0.630 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.832 -8.571 1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.250 -7.333 -0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.508 -8.537 -0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.375 -5.248 0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.649 -7.893 -0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.934 -3.497 1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.211 -6.143 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.355 -3.943 1.373 1.00 0.00 H new ATOM 1434 N GLY A 97 -1.091 -10.817 1.058 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.617 -12.144 0.710 1.00 0.00 C ATOM 1436 C GLY A 97 -1.524 -13.240 1.233 1.00 0.00 C ATOM 1437 O GLY A 97 -2.429 -13.692 0.533 1.00 0.00 O ATOM 0 H GLY A 97 -1.819 -10.796 1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.541 -12.226 -0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.386 -12.285 1.112 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.281 -13.668 2.467 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.084 -14.718 3.083 1.00 0.00 C ATOM 1443 C ALA A 98 -3.568 -14.508 2.806 1.00 0.00 C ATOM 1444 O ALA A 98 -4.202 -15.315 2.127 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.827 -14.767 4.582 1.00 0.00 C ATOM 0 H ALA A 98 -0.535 -13.304 3.060 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.791 -15.671 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.433 -15.555 5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.772 -14.973 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.092 -13.808 5.028 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.117 -13.420 3.336 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.528 -13.105 3.146 1.00 0.00 C ATOM 1453 C ASN A 99 -5.696 -11.749 2.467 1.00 0.00 C ATOM 1454 O ASN A 99 -5.532 -10.703 3.094 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.258 -13.108 4.491 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.766 -13.080 4.330 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.448 -12.422 5.261 1.00 0.00 O flip ATOM 1458 ND2 ASN A 99 -8.310 -13.643 3.381 1.00 0.00 N flip ATOM 0 H ASN A 99 -3.606 -12.741 3.901 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.962 -13.870 2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.972 -13.996 5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.941 -12.244 5.075 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.746 -14.137 2.689 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.325 -13.616 3.286 1.00 0.00 H new ATOM 1465 N LYS A 100 -6.026 -11.776 1.180 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.218 -10.551 0.413 1.00 0.00 C ATOM 1467 C LYS A 100 -7.323 -9.694 1.025 1.00 0.00 C ATOM 1468 O LYS A 100 -7.376 -8.485 0.806 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.562 -10.883 -1.040 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.350 -11.221 -1.890 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.343 -10.084 -1.903 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.306 -10.269 -3.000 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.353 -11.368 -2.682 1.00 0.00 N ATOM 0 H LYS A 100 -6.166 -12.634 0.646 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.286 -9.986 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.254 -11.725 -1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.082 -10.034 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.876 -12.124 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.669 -11.438 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.864 -9.138 -2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.844 -10.027 -0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.809 -10.486 -3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.755 -9.339 -3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.632 -11.429 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.892 -11.174 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.869 -12.269 -2.624 1.00 0.00 H new ATOM 1487 N ASN A 101 -8.201 -10.330 1.794 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.303 -9.626 2.438 1.00 0.00 C ATOM 1489 C ASN A 101 -8.821 -8.877 3.677 1.00 0.00 C ATOM 1490 O ASN A 101 -9.373 -7.840 4.044 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.410 -10.610 2.823 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.319 -10.943 1.655 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -12.030 -10.079 1.142 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -11.300 -12.201 1.231 1.00 0.00 N ATOM 0 H ASN A 101 -8.170 -11.331 1.986 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.701 -8.901 1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.961 -11.527 3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.004 -10.186 3.633 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.891 -12.485 0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -10.694 -12.884 1.687 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.786 -9.410 4.317 1.00 0.00 N ATOM 1502 CA LYS A 102 -7.226 -8.792 5.514 1.00 0.00 C ATOM 1503 C LYS A 102 -5.702 -8.762 5.448 1.00 0.00 C ATOM 1504 O LYS A 102 -5.022 -9.732 5.781 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.677 -9.551 6.763 1.00 0.00 C ATOM 1506 CG LYS A 102 -9.169 -9.838 6.795 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.592 -10.443 8.123 1.00 0.00 C ATOM 1508 CE LYS A 102 -9.532 -11.963 8.087 1.00 0.00 C ATOM 1509 NZ LYS A 102 -8.193 -12.475 8.491 1.00 0.00 N ATOM 0 H LYS A 102 -7.318 -10.269 4.027 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.591 -7.766 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.133 -10.494 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.408 -8.972 7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.722 -8.915 6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.427 -10.520 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.944 -10.071 8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.606 -10.123 8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.293 -12.372 8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.766 -12.312 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.841 -13.134 7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.531 -11.679 8.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.271 -12.970 9.402 1.00 0.00 H new ATOM 1523 N PRO A 103 -5.151 -7.620 5.009 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.701 -7.435 4.891 1.00 0.00 C ATOM 1525 C PRO A 103 -3.014 -7.359 6.250 1.00 0.00 C ATOM 1526 O PRO A 103 -3.675 -7.311 7.287 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.573 -6.101 4.151 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.833 -5.371 4.466 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.900 -6.422 4.594 1.00 0.00 C ATOM 0 HA PRO A 103 -3.224 -8.270 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.698 -5.544 4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.461 -6.253 3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.733 -4.802 5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.079 -4.659 3.678 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.652 -6.143 5.332 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.422 -6.581 3.651 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.685 -7.347 6.236 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.910 -7.277 7.470 1.00 0.00 C ATOM 1539 C GLU A 104 -0.212 -5.926 7.597 1.00 0.00 C ATOM 1540 O GLU A 104 0.031 -5.244 6.601 1.00 0.00 O ATOM 1541 CB GLU A 104 0.124 -8.404 7.513 1.00 0.00 C ATOM 1542 CG GLU A 104 -0.462 -9.779 7.243 1.00 0.00 C ATOM 1543 CD GLU A 104 -1.236 -10.326 8.427 1.00 0.00 C ATOM 1544 OE1 GLU A 104 -1.688 -9.519 9.265 1.00 0.00 O ATOM 1545 OE2 GLU A 104 -1.388 -11.563 8.515 1.00 0.00 O ATOM 0 H GLU A 104 -1.123 -7.385 5.386 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.597 -7.392 8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.902 -8.200 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.603 -8.409 8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.121 -9.725 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.343 -10.469 6.989 1.00 0.00 H new ATOM 1552 N ASP A 105 0.108 -5.546 8.829 1.00 0.00 N ATOM 1553 CA ASP A 105 0.778 -4.277 9.088 1.00 0.00 C ATOM 1554 C ASP A 105 2.259 -4.362 8.733 1.00 0.00 C ATOM 1555 O ASP A 105 2.974 -5.242 9.214 1.00 0.00 O ATOM 1556 CB ASP A 105 0.615 -3.880 10.556 1.00 0.00 C ATOM 1557 CG ASP A 105 0.580 -2.376 10.749 1.00 0.00 C ATOM 1558 OD1 ASP A 105 1.307 -1.667 10.021 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -0.174 -1.908 11.627 1.00 0.00 O ATOM 0 H ASP A 105 -0.086 -6.099 9.664 1.00 0.00 H new ATOM 0 HA ASP A 105 0.315 -3.516 8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -0.305 -4.315 10.947 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.437 -4.299 11.136 1.00 0.00 H new ATOM 1564 N TYR A 106 2.714 -3.444 7.888 1.00 0.00 N ATOM 1565 CA TYR A 106 4.109 -3.418 7.465 1.00 0.00 C ATOM 1566 C TYR A 106 4.984 -2.742 8.516 1.00 0.00 C ATOM 1567 O TYR A 106 4.880 -1.537 8.743 1.00 0.00 O ATOM 1568 CB TYR A 106 4.245 -2.689 6.127 1.00 0.00 C ATOM 1569 CG TYR A 106 5.648 -2.713 5.565 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.444 -3.846 5.676 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.178 -1.601 4.921 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.727 -3.871 5.165 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.460 -1.618 4.405 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.230 -2.755 4.530 1.00 0.00 C ATOM 1575 OH TYR A 106 9.507 -2.777 4.017 1.00 0.00 O ATOM 0 H TYR A 106 2.137 -2.707 7.482 1.00 0.00 H new ATOM 0 HA TYR A 106 4.445 -4.448 7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.566 -3.142 5.405 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.931 -1.653 6.254 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.053 -4.723 6.171 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.578 -0.709 4.822 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.333 -4.760 5.262 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.856 -0.746 3.907 1.00 0.00 H new ATOM 0 HH TYR A 106 9.943 -1.916 4.188 1.00 0.00 H new ATOM 1654 N GLY A 112 13.187 2.357 -0.147 1.00 0.00 N ATOM 1655 CA GLY A 112 13.411 1.676 -1.408 1.00 0.00 C ATOM 1656 C GLY A 112 14.318 0.470 -1.263 1.00 0.00 C ATOM 1657 O GLY A 112 14.280 -0.445 -2.084 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.453 1.359 -1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.850 2.374 -2.121 1.00 0.00 H new ATOM 1661 N GLU A 113 15.138 0.471 -0.216 1.00 0.00 N ATOM 1662 CA GLU A 113 16.060 -0.630 0.031 1.00 0.00 C ATOM 1663 C GLU A 113 15.415 -1.692 0.918 1.00 0.00 C ATOM 1664 O GLU A 113 15.312 -2.857 0.534 1.00 0.00 O ATOM 1665 CB GLU A 113 17.343 -0.113 0.687 1.00 0.00 C ATOM 1666 CG GLU A 113 17.150 1.175 1.469 1.00 0.00 C ATOM 1667 CD GLU A 113 18.229 1.392 2.512 1.00 0.00 C ATOM 1668 OE1 GLU A 113 19.421 1.245 2.169 1.00 0.00 O ATOM 1669 OE2 GLU A 113 17.882 1.707 3.669 1.00 0.00 O ATOM 0 H GLU A 113 15.182 1.221 0.473 1.00 0.00 H new ATOM 0 HA GLU A 113 16.308 -1.084 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.733 -0.880 1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.096 0.050 -0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.144 2.018 0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 113 16.176 1.156 1.958 1.00 0.00 H new ATOM 1676 N ALA A 114 14.984 -1.280 2.105 1.00 0.00 N ATOM 1677 CA ALA A 114 14.348 -2.194 3.046 1.00 0.00 C ATOM 1678 C ALA A 114 13.112 -2.843 2.431 1.00 0.00 C ATOM 1679 O ALA A 114 12.925 -4.056 2.526 1.00 0.00 O ATOM 1680 CB ALA A 114 13.978 -1.460 4.327 1.00 0.00 C ATOM 0 H ALA A 114 15.063 -0.319 2.438 1.00 0.00 H new ATOM 0 HA ALA A 114 15.061 -2.984 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.504 -2.155 5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.878 -1.049 4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.286 -0.650 4.095 1.00 0.00 H new ATOM 1686 N ILE A 115 12.273 -2.028 1.801 1.00 0.00 N ATOM 1687 CA ILE A 115 11.056 -2.524 1.170 1.00 0.00 C ATOM 1688 C ILE A 115 11.347 -3.733 0.289 1.00 0.00 C ATOM 1689 O ILE A 115 10.606 -4.716 0.300 1.00 0.00 O ATOM 1690 CB ILE A 115 10.379 -1.433 0.319 1.00 0.00 C ATOM 1691 CG1 ILE A 115 9.874 -0.298 1.213 1.00 0.00 C ATOM 1692 CG2 ILE A 115 9.235 -2.027 -0.489 1.00 0.00 C ATOM 1693 CD1 ILE A 115 9.787 1.035 0.505 1.00 0.00 C ATOM 0 H ILE A 115 12.413 -1.021 1.714 1.00 0.00 H new ATOM 0 HA ILE A 115 10.381 -2.818 1.974 1.00 0.00 H new ATOM 0 HB ILE A 115 11.114 -1.024 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 115 8.889 -0.561 1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.537 -0.201 2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.766 -1.244 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.621 -2.804 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.497 -2.459 0.188 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.422 1.792 1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 115 10.775 1.320 0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.101 0.955 -0.338 1.00 0.00 H new ATOM 1705 N VAL A 116 12.433 -3.655 -0.474 1.00 0.00 N ATOM 1706 CA VAL A 116 12.825 -4.744 -1.360 1.00 0.00 C ATOM 1707 C VAL A 116 13.044 -6.036 -0.580 1.00 0.00 C ATOM 1708 O VAL A 116 12.621 -7.110 -1.007 1.00 0.00 O ATOM 1709 CB VAL A 116 14.112 -4.402 -2.135 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.783 -5.670 -2.642 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.804 -3.456 -3.286 1.00 0.00 C ATOM 0 H VAL A 116 13.057 -2.848 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 116 12.009 -4.884 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 116 14.802 -3.901 -1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.690 -5.409 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 116 15.039 -6.309 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 116 14.101 -6.202 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.724 -3.225 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.096 -3.929 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.371 -2.535 -2.894 1.00 0.00 H new ATOM 1721 N ASP A 117 13.705 -5.923 0.567 1.00 0.00 N ATOM 1722 CA ASP A 117 13.979 -7.082 1.409 1.00 0.00 C ATOM 1723 C ASP A 117 12.690 -7.631 2.013 1.00 0.00 C ATOM 1724 O ASP A 117 12.437 -8.835 1.971 1.00 0.00 O ATOM 1725 CB ASP A 117 14.961 -6.711 2.521 1.00 0.00 C ATOM 1726 CG ASP A 117 15.630 -7.926 3.132 1.00 0.00 C ATOM 1727 OD1 ASP A 117 14.908 -8.870 3.517 1.00 0.00 O ATOM 1728 OD2 ASP A 117 16.875 -7.934 3.224 1.00 0.00 O ATOM 0 H ASP A 117 14.061 -5.041 0.935 1.00 0.00 H new ATOM 0 HA ASP A 117 14.425 -7.856 0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.724 -6.043 2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.433 -6.161 3.300 1.00 0.00 H new ATOM 1733 N ALA A 118 11.880 -6.740 2.575 1.00 0.00 N ATOM 1734 CA ALA A 118 10.617 -7.135 3.187 1.00 0.00 C ATOM 1735 C ALA A 118 9.718 -7.845 2.181 1.00 0.00 C ATOM 1736 O ALA A 118 9.148 -8.895 2.477 1.00 0.00 O ATOM 1737 CB ALA A 118 9.908 -5.919 3.765 1.00 0.00 C ATOM 0 H ALA A 118 12.076 -5.740 2.619 1.00 0.00 H new ATOM 0 HA ALA A 118 10.836 -7.833 3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.966 -6.228 4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.540 -5.455 4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.709 -5.202 2.969 1.00 0.00 H new ATOM 1743 N ALA A 119 9.595 -7.266 0.992 1.00 0.00 N ATOM 1744 CA ALA A 119 8.766 -7.844 -0.058 1.00 0.00 C ATOM 1745 C ALA A 119 9.175 -9.284 -0.349 1.00 0.00 C ATOM 1746 O ALA A 119 8.327 -10.145 -0.591 1.00 0.00 O ATOM 1747 CB ALA A 119 8.852 -7.003 -1.323 1.00 0.00 C ATOM 0 H ALA A 119 10.059 -6.396 0.731 1.00 0.00 H new ATOM 0 HA ALA A 119 7.733 -7.850 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 119 8.228 -7.447 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.504 -5.992 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.886 -6.967 -1.666 1.00 0.00 H new ATOM 1753 N LEU A 120 10.478 -9.540 -0.326 1.00 0.00 N ATOM 1754 CA LEU A 120 11.000 -10.877 -0.589 1.00 0.00 C ATOM 1755 C LEU A 120 10.741 -11.805 0.594 1.00 0.00 C ATOM 1756 O LEU A 120 10.198 -12.897 0.431 1.00 0.00 O ATOM 1757 CB LEU A 120 12.501 -10.811 -0.881 1.00 0.00 C ATOM 1758 CG LEU A 120 12.908 -10.019 -2.124 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.306 -9.443 -1.955 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.838 -10.898 -3.364 1.00 0.00 C ATOM 0 H LEU A 120 11.193 -8.840 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 120 10.483 -11.277 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 120 13.000 -10.374 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.876 -11.829 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 120 12.209 -9.192 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.579 -8.883 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.324 -8.779 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 120 15.018 -10.254 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 120 13.131 -10.317 -4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.514 -11.745 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.819 -11.262 -3.495 1.00 0.00 H new ATOM 1772 N SER A 121 11.132 -11.361 1.784 1.00 0.00 N ATOM 1773 CA SER A 121 10.943 -12.152 2.995 1.00 0.00 C ATOM 1774 C SER A 121 9.502 -12.640 3.106 1.00 0.00 C ATOM 1775 O SER A 121 9.247 -13.766 3.533 1.00 0.00 O ATOM 1776 CB SER A 121 11.311 -11.329 4.230 1.00 0.00 C ATOM 1777 OG SER A 121 11.660 -12.168 5.317 1.00 0.00 O ATOM 0 H SER A 121 11.582 -10.458 1.936 1.00 0.00 H new ATOM 0 HA SER A 121 11.599 -13.021 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 121 12.145 -10.668 3.995 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.471 -10.695 4.512 1.00 0.00 H new ATOM 0 HG SER A 121 11.893 -11.617 6.094 1.00 0.00 H new ATOM 1783 N ALA A 122 8.562 -11.783 2.718 1.00 0.00 N ATOM 1784 CA ALA A 122 7.147 -12.126 2.771 1.00 0.00 C ATOM 1785 C ALA A 122 6.755 -13.026 1.604 1.00 0.00 C ATOM 1786 O ALA A 122 6.075 -14.037 1.786 1.00 0.00 O ATOM 1787 CB ALA A 122 6.297 -10.864 2.775 1.00 0.00 C ATOM 0 H ALA A 122 8.756 -10.846 2.364 1.00 0.00 H new ATOM 0 HA ALA A 122 6.967 -12.675 3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.242 -11.136 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.549 -10.259 3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.490 -10.292 1.867 1.00 0.00 H new