USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 646 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 61 LYS NZ :NH3+ -154:sc= 0.0809 (180deg=0) USER MOD Set 1.2: A 65 GLN : amide:sc= 0.0795 X(o=0.16,f=-0.14) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.0381 USER MOD Set 2.2: A 23 ASN : amide:sc= -0.879 X(o=-0.92,f=-0.53) USER MOD Single : A 10 SER OG : rot -27:sc= 0.244 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.776 USER MOD Single : A 16 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0464 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 129:sc= 0.458 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= -0.0843 (180deg=-0.994) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -140:sc= -1.06 (180deg=-5.02!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0924) USER MOD Single : A 47 THR OG1 : rot -150:sc= -1.3 USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00483) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.497 K(o=-0.5,f=-2!) USER MOD Single : A 67 CYS SG : rot 66:sc= -0.157 USER MOD Single : A 68 THR OG1 : rot -40:sc= -0.109 USER MOD Single : A 72 ASN : amide:sc= -1.64! C(o=-1.6!,f=-3.9!) USER MOD Single : A 73 ASN : amide:sc= -0.0635 K(o=-0.063,f=-1.6) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.362 K(o=-0.36,f=-2.1!) USER MOD Single : A 82 LYS NZ :NH3+ -156:sc= -0.243 (180deg=-0.953) USER MOD Single : A 84 SER OG : rot 37:sc= 0.866 USER MOD ----------------------------------------------------------------- ATOM 184 N SER A 10 -1.463 11.826 1.751 1.00 0.00 N ATOM 185 CA SER A 10 -0.980 10.884 0.748 1.00 0.00 C ATOM 186 C SER A 10 -0.834 9.486 1.341 1.00 0.00 C ATOM 187 O SER A 10 -1.131 8.485 0.687 1.00 0.00 O ATOM 188 CB SER A 10 0.361 11.352 0.181 1.00 0.00 C ATOM 189 OG SER A 10 1.243 11.746 1.217 1.00 0.00 O ATOM 0 HA SER A 10 -1.713 10.843 -0.058 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.814 10.549 -0.400 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.200 12.187 -0.501 1.00 0.00 H new ATOM 0 HG SER A 10 0.724 12.047 1.992 1.00 0.00 H new ATOM 195 N THR A 11 -0.375 9.424 2.587 1.00 0.00 N ATOM 196 CA THR A 11 -0.188 8.150 3.270 1.00 0.00 C ATOM 197 C THR A 11 -1.526 7.484 3.568 1.00 0.00 C ATOM 198 O THR A 11 -2.536 8.158 3.770 1.00 0.00 O ATOM 199 CB THR A 11 0.588 8.328 4.589 1.00 0.00 C ATOM 200 OG1 THR A 11 1.801 9.051 4.350 1.00 0.00 O ATOM 201 CG2 THR A 11 0.910 6.979 5.214 1.00 0.00 C ATOM 0 H THR A 11 -0.126 10.242 3.144 1.00 0.00 H new ATOM 0 HA THR A 11 0.390 7.514 2.599 1.00 0.00 H new ATOM 0 HB THR A 11 -0.039 8.890 5.281 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.288 9.161 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.458 7.130 6.144 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.017 6.444 5.422 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.520 6.395 4.525 1.00 0.00 H new ATOM 209 N VAL A 12 -1.528 6.155 3.594 1.00 0.00 N ATOM 210 CA VAL A 12 -2.742 5.397 3.869 1.00 0.00 C ATOM 211 C VAL A 12 -2.499 4.336 4.936 1.00 0.00 C ATOM 212 O VAL A 12 -1.653 3.457 4.771 1.00 0.00 O ATOM 213 CB VAL A 12 -3.278 4.714 2.596 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.595 4.008 2.882 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.441 5.730 1.476 1.00 0.00 C ATOM 0 H VAL A 12 -0.701 5.581 3.428 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.483 6.109 4.231 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.555 3.965 2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.958 3.532 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.442 3.251 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.330 4.735 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.820 5.231 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.144 6.503 1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.476 6.185 1.254 1.00 0.00 H new ATOM 225 N TYR A 13 -3.246 4.425 6.031 1.00 0.00 N ATOM 226 CA TYR A 13 -3.110 3.474 7.128 1.00 0.00 C ATOM 227 C TYR A 13 -3.807 2.157 6.797 1.00 0.00 C ATOM 228 O TYR A 13 -5.023 2.032 6.942 1.00 0.00 O ATOM 229 CB TYR A 13 -3.690 4.062 8.415 1.00 0.00 C ATOM 230 CG TYR A 13 -3.189 3.383 9.670 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.268 2.004 9.817 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.637 4.122 10.710 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.812 1.380 10.962 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.177 3.506 11.858 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.267 2.135 11.980 1.00 0.00 C ATOM 236 OH TYR A 13 -1.811 1.518 13.121 1.00 0.00 O ATOM 0 H TYR A 13 -3.952 5.146 6.183 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.048 3.275 7.274 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.444 5.123 8.463 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.777 3.988 8.381 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.693 1.409 9.022 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.567 5.196 10.619 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.882 0.307 11.060 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.749 4.095 12.656 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.457 2.192 13.738 1.00 0.00 H new ATOM 246 N VAL A 14 -3.027 1.178 6.352 1.00 0.00 N ATOM 247 CA VAL A 14 -3.567 -0.131 6.002 1.00 0.00 C ATOM 248 C VAL A 14 -3.192 -1.177 7.045 1.00 0.00 C ATOM 249 O VAL A 14 -2.012 -1.452 7.268 1.00 0.00 O ATOM 250 CB VAL A 14 -3.065 -0.594 4.622 1.00 0.00 C ATOM 251 CG1 VAL A 14 -3.962 -1.690 4.068 1.00 0.00 C ATOM 252 CG2 VAL A 14 -2.990 0.582 3.660 1.00 0.00 C ATOM 0 H VAL A 14 -2.019 1.266 6.225 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.652 -0.028 5.970 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.061 -1.003 4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.592 -2.005 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.959 -2.541 4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.979 -1.311 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.633 0.236 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.980 1.023 3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.302 1.331 4.054 1.00 0.00 H new ATOM 262 N SER A 15 -4.203 -1.759 7.682 1.00 0.00 N ATOM 263 CA SER A 15 -3.979 -2.774 8.705 1.00 0.00 C ATOM 264 C SER A 15 -4.557 -4.119 8.272 1.00 0.00 C ATOM 265 O SER A 15 -5.257 -4.210 7.265 1.00 0.00 O ATOM 266 CB SER A 15 -4.607 -2.340 10.031 1.00 0.00 C ATOM 267 OG SER A 15 -5.794 -1.597 9.814 1.00 0.00 O ATOM 0 H SER A 15 -5.185 -1.545 7.508 1.00 0.00 H new ATOM 0 HA SER A 15 -2.903 -2.887 8.840 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.830 -3.219 10.636 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.895 -1.737 10.594 1.00 0.00 H new ATOM 0 HG SER A 15 -6.177 -1.333 10.677 1.00 0.00 H new ATOM 273 N ASN A 16 -4.257 -5.160 9.042 1.00 0.00 N ATOM 274 CA ASN A 16 -4.745 -6.500 8.738 1.00 0.00 C ATOM 275 C ASN A 16 -4.194 -6.991 7.403 1.00 0.00 C ATOM 276 O ASN A 16 -4.848 -7.755 6.692 1.00 0.00 O ATOM 277 CB ASN A 16 -6.275 -6.513 8.707 1.00 0.00 C ATOM 278 CG ASN A 16 -6.878 -6.814 10.066 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.819 -5.991 10.980 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.462 -7.998 10.205 1.00 0.00 N ATOM 0 H ASN A 16 -3.679 -5.101 9.880 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.398 -7.172 9.523 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.637 -5.546 8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.615 -7.259 7.988 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.885 -8.256 11.096 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.488 -8.649 9.420 1.00 0.00 H new ATOM 287 N LEU A 17 -2.988 -6.547 7.068 1.00 0.00 N ATOM 288 CA LEU A 17 -2.348 -6.940 5.818 1.00 0.00 C ATOM 289 C LEU A 17 -1.579 -8.247 5.988 1.00 0.00 C ATOM 290 O LEU A 17 -0.937 -8.489 7.010 1.00 0.00 O ATOM 291 CB LEU A 17 -1.402 -5.838 5.337 1.00 0.00 C ATOM 292 CG LEU A 17 -2.063 -4.630 4.671 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.086 -3.469 4.582 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.583 -5.000 3.290 1.00 0.00 C ATOM 0 H LEU A 17 -2.433 -5.914 7.645 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.128 -7.092 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.823 -5.486 6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.696 -6.275 4.631 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.909 -4.319 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.574 -2.619 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.763 -3.187 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.219 -3.767 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.050 -4.128 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.754 -5.337 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.318 -5.800 3.380 1.00 0.00 H new ATOM 306 N PRO A 18 -1.643 -9.109 4.962 1.00 0.00 N ATOM 307 CA PRO A 18 -0.956 -10.404 4.973 1.00 0.00 C ATOM 308 C PRO A 18 0.559 -10.258 4.883 1.00 0.00 C ATOM 309 O PRO A 18 1.132 -10.290 3.794 1.00 0.00 O ATOM 310 CB PRO A 18 -1.500 -11.105 3.725 1.00 0.00 C ATOM 311 CG PRO A 18 -1.913 -9.997 2.819 1.00 0.00 C ATOM 312 CD PRO A 18 -2.389 -8.886 3.713 1.00 0.00 C ATOM 0 HA PRO A 18 -1.134 -10.951 5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.740 -11.734 3.261 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.343 -11.752 3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.079 -9.669 2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.705 -10.320 2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.174 -7.907 3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.466 -8.934 3.874 1.00 0.00 H new ATOM 320 N PHE A 19 1.202 -10.097 6.035 1.00 0.00 N ATOM 321 CA PHE A 19 2.652 -9.946 6.086 1.00 0.00 C ATOM 322 C PHE A 19 3.337 -10.957 5.172 1.00 0.00 C ATOM 323 O PHE A 19 4.475 -10.755 4.747 1.00 0.00 O ATOM 324 CB PHE A 19 3.153 -10.117 7.522 1.00 0.00 C ATOM 325 CG PHE A 19 2.455 -11.214 8.274 1.00 0.00 C ATOM 326 CD1 PHE A 19 2.942 -12.511 8.244 1.00 0.00 C ATOM 327 CD2 PHE A 19 1.312 -10.948 9.010 1.00 0.00 C ATOM 328 CE1 PHE A 19 2.302 -13.522 8.935 1.00 0.00 C ATOM 329 CE2 PHE A 19 0.669 -11.955 9.704 1.00 0.00 C ATOM 330 CZ PHE A 19 1.164 -13.244 9.665 1.00 0.00 C ATOM 0 H PHE A 19 0.742 -10.068 6.945 1.00 0.00 H new ATOM 0 HA PHE A 19 2.901 -8.943 5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.223 -10.324 7.503 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.020 -9.178 8.059 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.832 -12.734 7.674 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.919 -9.942 9.042 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.692 -14.529 8.904 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.220 -11.734 10.276 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.661 -14.033 10.205 1.00 0.00 H new ATOM 340 N SER A 20 2.637 -12.047 4.874 1.00 0.00 N ATOM 341 CA SER A 20 3.178 -13.093 4.015 1.00 0.00 C ATOM 342 C SER A 20 3.775 -12.496 2.744 1.00 0.00 C ATOM 343 O SER A 20 4.727 -13.036 2.178 1.00 0.00 O ATOM 344 CB SER A 20 2.086 -14.102 3.654 1.00 0.00 C ATOM 345 OG SER A 20 1.022 -13.475 2.958 1.00 0.00 O ATOM 0 H SER A 20 1.693 -12.228 5.215 1.00 0.00 H new ATOM 0 HA SER A 20 3.969 -13.606 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.509 -14.896 3.039 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.705 -14.571 4.561 1.00 0.00 H new ATOM 0 HG SER A 20 0.338 -14.141 2.737 1.00 0.00 H new ATOM 351 N LEU A 21 3.210 -11.379 2.300 1.00 0.00 N ATOM 352 CA LEU A 21 3.686 -10.707 1.096 1.00 0.00 C ATOM 353 C LEU A 21 4.894 -9.828 1.404 1.00 0.00 C ATOM 354 O LEU A 21 5.373 -9.786 2.538 1.00 0.00 O ATOM 355 CB LEU A 21 2.567 -9.860 0.485 1.00 0.00 C ATOM 356 CG LEU A 21 1.183 -10.508 0.442 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.172 -9.565 -0.193 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.234 -11.827 -0.315 1.00 0.00 C ATOM 0 H LEU A 21 2.422 -10.919 2.756 1.00 0.00 H new ATOM 0 HA LEU A 21 3.989 -11.470 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.493 -8.930 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.854 -9.594 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 21 0.867 -10.712 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.807 -10.043 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.114 -8.646 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.484 -9.329 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.240 -12.274 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.572 -11.648 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.927 -12.506 0.183 1.00 0.00 H new ATOM 370 N THR A 22 5.382 -9.124 0.387 1.00 0.00 N ATOM 371 CA THR A 22 6.533 -8.245 0.549 1.00 0.00 C ATOM 372 C THR A 22 6.249 -6.858 -0.016 1.00 0.00 C ATOM 373 O THR A 22 5.305 -6.671 -0.783 1.00 0.00 O ATOM 374 CB THR A 22 7.782 -8.822 -0.143 1.00 0.00 C ATOM 375 OG1 THR A 22 8.948 -8.097 0.265 1.00 0.00 O ATOM 376 CG2 THR A 22 7.643 -8.757 -1.656 1.00 0.00 C ATOM 0 H THR A 22 4.998 -9.146 -0.558 1.00 0.00 H new ATOM 0 HA THR A 22 6.723 -8.167 1.619 1.00 0.00 H new ATOM 0 HB THR A 22 7.882 -9.867 0.152 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.738 -8.471 -0.178 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.538 -9.170 -2.122 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.772 -9.335 -1.967 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.519 -7.719 -1.966 1.00 0.00 H new ATOM 384 N ASN A 23 7.073 -5.888 0.367 1.00 0.00 N ATOM 385 CA ASN A 23 6.910 -4.517 -0.102 1.00 0.00 C ATOM 386 C ASN A 23 6.480 -4.490 -1.566 1.00 0.00 C ATOM 387 O ASN A 23 5.547 -3.779 -1.936 1.00 0.00 O ATOM 388 CB ASN A 23 8.215 -3.737 0.072 1.00 0.00 C ATOM 389 CG ASN A 23 9.416 -4.495 -0.460 1.00 0.00 C ATOM 390 OD1 ASN A 23 9.831 -4.300 -1.603 1.00 0.00 O ATOM 391 ND2 ASN A 23 9.981 -5.365 0.369 1.00 0.00 N ATOM 0 H ASN A 23 7.860 -6.026 1.001 1.00 0.00 H new ATOM 0 HA ASN A 23 6.130 -4.046 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.135 -2.780 -0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.366 -3.518 1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.793 -5.904 0.067 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.603 -5.494 1.308 1.00 0.00 H new ATOM 398 N ASN A 24 7.167 -5.271 -2.393 1.00 0.00 N ATOM 399 CA ASN A 24 6.857 -5.337 -3.817 1.00 0.00 C ATOM 400 C ASN A 24 5.384 -5.669 -4.037 1.00 0.00 C ATOM 401 O ASN A 24 4.679 -4.963 -4.758 1.00 0.00 O ATOM 402 CB ASN A 24 7.736 -6.384 -4.503 1.00 0.00 C ATOM 403 CG ASN A 24 8.012 -6.044 -5.955 1.00 0.00 C ATOM 404 OD1 ASN A 24 8.823 -5.168 -6.256 1.00 0.00 O ATOM 405 ND2 ASN A 24 7.337 -6.738 -6.864 1.00 0.00 N ATOM 0 H ASN A 24 7.942 -5.867 -2.102 1.00 0.00 H new ATOM 0 HA ASN A 24 7.060 -4.360 -4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.681 -6.469 -3.966 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.249 -7.357 -4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.481 -6.554 -7.857 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.674 -7.455 -6.569 1.00 0.00 H new ATOM 412 N ASP A 25 4.927 -6.748 -3.411 1.00 0.00 N ATOM 413 CA ASP A 25 3.537 -7.174 -3.537 1.00 0.00 C ATOM 414 C ASP A 25 2.586 -6.011 -3.268 1.00 0.00 C ATOM 415 O ASP A 25 1.818 -5.609 -4.142 1.00 0.00 O ATOM 416 CB ASP A 25 3.244 -8.323 -2.571 1.00 0.00 C ATOM 417 CG ASP A 25 3.972 -9.597 -2.950 1.00 0.00 C ATOM 418 OD1 ASP A 25 5.089 -9.502 -3.501 1.00 0.00 O ATOM 419 OD2 ASP A 25 3.425 -10.691 -2.695 1.00 0.00 O ATOM 0 H ASP A 25 5.498 -7.344 -2.811 1.00 0.00 H new ATOM 0 HA ASP A 25 3.380 -7.520 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.534 -8.029 -1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.171 -8.513 -2.552 1.00 0.00 H new ATOM 424 N LEU A 26 2.643 -5.476 -2.054 1.00 0.00 N ATOM 425 CA LEU A 26 1.786 -4.361 -1.668 1.00 0.00 C ATOM 426 C LEU A 26 1.877 -3.228 -2.686 1.00 0.00 C ATOM 427 O LEU A 26 0.860 -2.738 -3.177 1.00 0.00 O ATOM 428 CB LEU A 26 2.176 -3.848 -0.281 1.00 0.00 C ATOM 429 CG LEU A 26 2.021 -4.843 0.870 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.663 -4.297 2.137 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.552 -5.159 1.108 1.00 0.00 C ATOM 0 H LEU A 26 3.274 -5.796 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 26 0.757 -4.718 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.215 -3.522 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.573 -2.968 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 26 2.531 -5.767 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.543 -5.018 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.724 -4.122 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.182 -3.359 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.461 -5.869 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.019 -4.242 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.122 -5.593 0.205 1.00 0.00 H new ATOM 443 N TYR A 27 3.101 -2.818 -2.999 1.00 0.00 N ATOM 444 CA TYR A 27 3.325 -1.742 -3.958 1.00 0.00 C ATOM 445 C TYR A 27 2.411 -1.894 -5.170 1.00 0.00 C ATOM 446 O TYR A 27 1.930 -0.907 -5.726 1.00 0.00 O ATOM 447 CB TYR A 27 4.787 -1.727 -4.406 1.00 0.00 C ATOM 448 CG TYR A 27 5.114 -0.609 -5.370 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.632 -0.625 -6.673 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.904 0.465 -4.978 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.928 0.394 -7.557 1.00 0.00 C ATOM 452 CE2 TYR A 27 6.204 1.489 -5.854 1.00 0.00 C ATOM 453 CZ TYR A 27 5.714 1.449 -7.143 1.00 0.00 C ATOM 454 OH TYR A 27 6.011 2.467 -8.020 1.00 0.00 O ATOM 0 H TYR A 27 3.953 -3.214 -2.603 1.00 0.00 H new ATOM 0 HA TYR A 27 3.093 -0.797 -3.467 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.426 -1.637 -3.528 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.024 -2.681 -4.876 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.015 -1.449 -7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.290 0.499 -3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.546 0.365 -8.567 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.819 2.317 -5.532 1.00 0.00 H new ATOM 0 HH TYR A 27 5.807 3.329 -7.601 1.00 0.00 H new ATOM 464 N ARG A 28 2.176 -3.138 -5.573 1.00 0.00 N ATOM 465 CA ARG A 28 1.320 -3.421 -6.719 1.00 0.00 C ATOM 466 C ARG A 28 -0.145 -3.495 -6.299 1.00 0.00 C ATOM 467 O ARG A 28 -1.022 -2.953 -6.972 1.00 0.00 O ATOM 468 CB ARG A 28 1.738 -4.734 -7.383 1.00 0.00 C ATOM 469 CG ARG A 28 3.055 -4.644 -8.137 1.00 0.00 C ATOM 470 CD ARG A 28 3.656 -6.020 -8.375 1.00 0.00 C ATOM 471 NE ARG A 28 4.956 -5.942 -9.036 1.00 0.00 N ATOM 472 CZ ARG A 28 5.511 -6.958 -9.688 1.00 0.00 C ATOM 473 NH1 ARG A 28 4.882 -8.122 -9.767 1.00 0.00 N ATOM 474 NH2 ARG A 28 6.697 -6.809 -10.264 1.00 0.00 N ATOM 0 H ARG A 28 2.566 -3.966 -5.123 1.00 0.00 H new ATOM 0 HA ARG A 28 1.434 -2.607 -7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.819 -5.508 -6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.955 -5.048 -8.073 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.895 -4.146 -9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.758 -4.032 -7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.764 -6.538 -7.422 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.974 -6.613 -8.985 1.00 0.00 H new ATOM 0 HE ARG A 28 5.466 -5.059 -8.995 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.969 -8.240 -9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.310 -8.900 -10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.183 -5.914 -10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.123 -7.589 -10.764 1.00 0.00 H new ATOM 488 N ILE A 29 -0.402 -4.168 -5.182 1.00 0.00 N ATOM 489 CA ILE A 29 -1.760 -4.312 -4.673 1.00 0.00 C ATOM 490 C ILE A 29 -2.417 -2.952 -4.469 1.00 0.00 C ATOM 491 O ILE A 29 -3.633 -2.811 -4.605 1.00 0.00 O ATOM 492 CB ILE A 29 -1.782 -5.085 -3.341 1.00 0.00 C ATOM 493 CG1 ILE A 29 -1.338 -6.533 -3.559 1.00 0.00 C ATOM 494 CG2 ILE A 29 -3.172 -5.038 -2.725 1.00 0.00 C ATOM 495 CD1 ILE A 29 -1.137 -7.303 -2.272 1.00 0.00 C ATOM 0 H ILE A 29 0.312 -4.622 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.320 -4.875 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.084 -4.611 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.083 -7.046 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.407 -6.538 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.172 -5.589 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.453 -4.001 -2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.889 -5.490 -3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.823 -8.321 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.370 -6.814 -1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.073 -7.330 -1.714 1.00 0.00 H new ATOM 507 N PHE A 30 -1.606 -1.951 -4.145 1.00 0.00 N ATOM 508 CA PHE A 30 -2.108 -0.600 -3.923 1.00 0.00 C ATOM 509 C PHE A 30 -1.895 0.269 -5.159 1.00 0.00 C ATOM 510 O PHE A 30 -2.351 1.411 -5.214 1.00 0.00 O ATOM 511 CB PHE A 30 -1.415 0.033 -2.715 1.00 0.00 C ATOM 512 CG PHE A 30 -1.691 -0.682 -1.423 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.954 -0.649 -0.853 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.688 -1.388 -0.779 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.210 -1.305 0.336 1.00 0.00 C ATOM 516 CE2 PHE A 30 -0.938 -2.047 0.410 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.201 -2.006 0.968 1.00 0.00 C ATOM 0 H PHE A 30 -0.597 -2.050 -4.030 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.178 -0.665 -3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.339 0.048 -2.890 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.738 1.070 -2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.747 -0.104 -1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.301 -1.424 -1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.198 -1.270 0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.147 -2.593 0.902 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.399 -2.521 1.896 1.00 0.00 H new ATOM 527 N SER A 31 -1.197 -0.280 -6.148 1.00 0.00 N ATOM 528 CA SER A 31 -0.919 0.445 -7.382 1.00 0.00 C ATOM 529 C SER A 31 -2.156 0.495 -8.274 1.00 0.00 C ATOM 530 O SER A 31 -2.271 1.354 -9.148 1.00 0.00 O ATOM 531 CB SER A 31 0.240 -0.211 -8.134 1.00 0.00 C ATOM 532 OG SER A 31 0.356 0.309 -9.447 1.00 0.00 O ATOM 0 H SER A 31 -0.814 -1.225 -6.119 1.00 0.00 H new ATOM 0 HA SER A 31 -0.641 1.466 -7.119 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.170 -0.045 -7.591 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.085 -1.289 -8.179 1.00 0.00 H new ATOM 0 HG SER A 31 1.105 -0.126 -9.906 1.00 0.00 H new ATOM 538 N LYS A 32 -3.079 -0.433 -8.046 1.00 0.00 N ATOM 539 CA LYS A 32 -4.309 -0.496 -8.827 1.00 0.00 C ATOM 540 C LYS A 32 -5.181 0.728 -8.569 1.00 0.00 C ATOM 541 O LYS A 32 -6.019 1.091 -9.395 1.00 0.00 O ATOM 542 CB LYS A 32 -5.087 -1.770 -8.488 1.00 0.00 C ATOM 543 CG LYS A 32 -5.926 -1.653 -7.227 1.00 0.00 C ATOM 544 CD LYS A 32 -6.905 -2.808 -7.099 1.00 0.00 C ATOM 545 CE LYS A 32 -6.203 -4.150 -7.235 1.00 0.00 C ATOM 546 NZ LYS A 32 -7.172 -5.280 -7.282 1.00 0.00 N ATOM 0 H LYS A 32 -2.999 -1.152 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.039 -0.512 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.738 -2.022 -9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.384 -2.595 -8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.272 -1.631 -6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.473 -0.711 -7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.408 -2.755 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.676 -2.720 -7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.597 -4.153 -8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.522 -4.290 -6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.655 -6.177 -7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.733 -5.293 -6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.806 -5.160 -8.098 1.00 0.00 H new ATOM 560 N TYR A 33 -4.977 1.362 -7.420 1.00 0.00 N ATOM 561 CA TYR A 33 -5.746 2.546 -7.053 1.00 0.00 C ATOM 562 C TYR A 33 -4.942 3.818 -7.308 1.00 0.00 C ATOM 563 O TYR A 33 -5.429 4.760 -7.930 1.00 0.00 O ATOM 564 CB TYR A 33 -6.159 2.476 -5.582 1.00 0.00 C ATOM 565 CG TYR A 33 -6.968 1.246 -5.238 1.00 0.00 C ATOM 566 CD1 TYR A 33 -8.258 1.080 -5.725 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.440 0.248 -4.427 1.00 0.00 C ATOM 568 CE1 TYR A 33 -9.001 -0.043 -5.412 1.00 0.00 C ATOM 569 CE2 TYR A 33 -7.174 -0.878 -4.111 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.454 -1.019 -4.605 1.00 0.00 C ATOM 571 OH TYR A 33 -9.190 -2.139 -4.293 1.00 0.00 O ATOM 0 H TYR A 33 -4.286 1.076 -6.726 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.642 2.573 -7.674 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.264 2.497 -4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.740 3.364 -5.334 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.688 1.841 -6.359 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.438 0.355 -4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.004 -0.156 -5.797 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.748 -1.644 -3.480 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.597 -2.829 -3.927 1.00 0.00 H new ATOM 581 N GLY A 34 -3.704 3.835 -6.821 1.00 0.00 N ATOM 582 CA GLY A 34 -2.851 4.994 -7.005 1.00 0.00 C ATOM 583 C GLY A 34 -1.378 4.641 -6.970 1.00 0.00 C ATOM 584 O GLY A 34 -0.956 3.780 -6.198 1.00 0.00 O ATOM 0 H GLY A 34 -3.278 3.067 -6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.086 5.466 -7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.065 5.726 -6.226 1.00 0.00 H new ATOM 588 N LYS A 35 -0.591 5.306 -7.810 1.00 0.00 N ATOM 589 CA LYS A 35 0.844 5.058 -7.874 1.00 0.00 C ATOM 590 C LYS A 35 1.472 5.137 -6.486 1.00 0.00 C ATOM 591 O LYS A 35 1.209 6.070 -5.727 1.00 0.00 O ATOM 592 CB LYS A 35 1.516 6.067 -8.808 1.00 0.00 C ATOM 593 CG LYS A 35 2.803 5.556 -9.431 1.00 0.00 C ATOM 594 CD LYS A 35 4.010 5.889 -8.571 1.00 0.00 C ATOM 595 CE LYS A 35 5.309 5.717 -9.343 1.00 0.00 C ATOM 596 NZ LYS A 35 5.633 6.920 -10.158 1.00 0.00 N ATOM 0 H LYS A 35 -0.924 6.021 -8.456 1.00 0.00 H new ATOM 0 HA LYS A 35 0.997 4.052 -8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.819 6.334 -9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.729 6.979 -8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.739 4.476 -9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.928 5.995 -10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.931 6.916 -8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.020 5.245 -7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.123 5.521 -8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.232 4.847 -9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.525 6.763 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.868 7.093 -10.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.732 7.746 -9.534 1.00 0.00 H new ATOM 610 N VAL A 36 2.305 4.153 -6.161 1.00 0.00 N ATOM 611 CA VAL A 36 2.972 4.113 -4.865 1.00 0.00 C ATOM 612 C VAL A 36 4.418 4.583 -4.978 1.00 0.00 C ATOM 613 O VAL A 36 5.150 4.164 -5.875 1.00 0.00 O ATOM 614 CB VAL A 36 2.949 2.695 -4.266 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.719 2.657 -2.954 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.517 2.224 -4.066 1.00 0.00 C ATOM 0 H VAL A 36 2.534 3.373 -6.777 1.00 0.00 H new ATOM 0 HA VAL A 36 2.425 4.786 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 36 3.436 2.016 -4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.692 1.647 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.754 2.949 -3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.263 3.348 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.520 1.220 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.002 2.903 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.001 2.211 -5.026 1.00 0.00 H new ATOM 626 N VAL A 37 4.825 5.454 -4.060 1.00 0.00 N ATOM 627 CA VAL A 37 6.185 5.980 -4.055 1.00 0.00 C ATOM 628 C VAL A 37 7.040 5.280 -3.005 1.00 0.00 C ATOM 629 O VAL A 37 8.210 4.978 -3.241 1.00 0.00 O ATOM 630 CB VAL A 37 6.199 7.496 -3.786 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.615 8.044 -3.891 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.267 8.217 -4.748 1.00 0.00 C ATOM 0 H VAL A 37 4.232 5.810 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 37 6.602 5.791 -5.044 1.00 0.00 H new ATOM 0 HB VAL A 37 5.842 7.670 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.605 9.117 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.252 7.549 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.003 7.859 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.290 9.287 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.592 8.037 -5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.251 7.844 -4.618 1.00 0.00 H new ATOM 642 N LYS A 38 6.449 5.024 -1.843 1.00 0.00 N ATOM 643 CA LYS A 38 7.155 4.358 -0.755 1.00 0.00 C ATOM 644 C LYS A 38 6.205 3.479 0.052 1.00 0.00 C ATOM 645 O LYS A 38 5.116 3.910 0.432 1.00 0.00 O ATOM 646 CB LYS A 38 7.813 5.392 0.162 1.00 0.00 C ATOM 647 CG LYS A 38 9.063 6.021 -0.430 1.00 0.00 C ATOM 648 CD LYS A 38 9.657 7.064 0.503 1.00 0.00 C ATOM 649 CE LYS A 38 10.699 7.915 -0.205 1.00 0.00 C ATOM 650 NZ LYS A 38 10.103 8.721 -1.306 1.00 0.00 N ATOM 0 H LYS A 38 5.482 5.268 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 38 7.927 3.724 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.092 6.178 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.069 4.916 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.803 5.245 -0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.821 6.483 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.863 7.704 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.112 6.569 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.175 8.580 0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.480 7.271 -0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.672 9.578 -1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.089 8.158 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.131 8.991 -1.052 1.00 0.00 H new ATOM 664 N VAL A 39 6.625 2.245 0.313 1.00 0.00 N ATOM 665 CA VAL A 39 5.813 1.306 1.077 1.00 0.00 C ATOM 666 C VAL A 39 6.335 1.162 2.503 1.00 0.00 C ATOM 667 O VAL A 39 7.276 0.411 2.759 1.00 0.00 O ATOM 668 CB VAL A 39 5.783 -0.082 0.411 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.018 -1.073 1.275 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.171 0.008 -0.979 1.00 0.00 C ATOM 0 H VAL A 39 7.524 1.872 0.006 1.00 0.00 H new ATOM 0 HA VAL A 39 4.801 1.710 1.102 1.00 0.00 H new ATOM 0 HB VAL A 39 6.808 -0.440 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.008 -2.048 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.503 -1.158 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.994 -0.724 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.158 -0.982 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.152 0.387 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.765 0.683 -1.595 1.00 0.00 H new ATOM 680 N THR A 40 5.716 1.887 3.429 1.00 0.00 N ATOM 681 CA THR A 40 6.118 1.841 4.830 1.00 0.00 C ATOM 682 C THR A 40 5.426 0.698 5.563 1.00 0.00 C ATOM 683 O THR A 40 4.242 0.437 5.347 1.00 0.00 O ATOM 684 CB THR A 40 5.799 3.166 5.549 1.00 0.00 C ATOM 685 OG1 THR A 40 6.479 4.249 4.905 1.00 0.00 O ATOM 686 CG2 THR A 40 6.211 3.099 7.012 1.00 0.00 C ATOM 0 H THR A 40 4.935 2.513 3.235 1.00 0.00 H new ATOM 0 HA THR A 40 7.196 1.678 4.845 1.00 0.00 H new ATOM 0 HB THR A 40 4.723 3.333 5.498 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.270 5.088 5.367 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.976 4.045 7.500 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.670 2.292 7.506 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.283 2.912 7.080 1.00 0.00 H new ATOM 694 N ILE A 41 6.170 0.021 6.431 1.00 0.00 N ATOM 695 CA ILE A 41 5.626 -1.093 7.197 1.00 0.00 C ATOM 696 C ILE A 41 6.008 -0.986 8.670 1.00 0.00 C ATOM 697 O ILE A 41 7.180 -0.819 9.006 1.00 0.00 O ATOM 698 CB ILE A 41 6.116 -2.446 6.649 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.544 -2.691 5.251 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.725 -3.573 7.592 1.00 0.00 C ATOM 701 CD1 ILE A 41 6.212 -3.832 4.516 1.00 0.00 C ATOM 0 H ILE A 41 7.151 0.225 6.621 1.00 0.00 H new ATOM 0 HA ILE A 41 4.541 -1.042 7.100 1.00 0.00 H new ATOM 0 HB ILE A 41 7.203 -2.420 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.477 -2.899 5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.646 -1.780 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.079 -4.523 7.190 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.176 -3.402 8.570 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.640 -3.603 7.693 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.756 -3.948 3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.274 -3.618 4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.088 -4.754 5.085 1.00 0.00 H new ATOM 713 N MET A 42 5.011 -1.085 9.543 1.00 0.00 N ATOM 714 CA MET A 42 5.244 -1.002 10.980 1.00 0.00 C ATOM 715 C MET A 42 5.851 -2.298 11.508 1.00 0.00 C ATOM 716 O MET A 42 5.824 -3.328 10.835 1.00 0.00 O ATOM 717 CB MET A 42 3.935 -0.702 11.714 1.00 0.00 C ATOM 718 CG MET A 42 3.100 0.380 11.049 1.00 0.00 C ATOM 719 SD MET A 42 4.076 1.823 10.583 1.00 0.00 S ATOM 720 CE MET A 42 3.226 3.113 11.489 1.00 0.00 C ATOM 0 H MET A 42 4.035 -1.223 9.281 1.00 0.00 H new ATOM 0 HA MET A 42 5.949 -0.191 11.162 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.346 -1.617 11.778 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.162 -0.398 12.736 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.620 -0.031 10.161 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.304 0.688 11.728 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.161 4.009 10.872 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.222 2.776 11.746 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.777 3.340 12.402 1.00 0.00 H new ATOM 730 N LYS A 43 6.399 -2.239 12.717 1.00 0.00 N ATOM 731 CA LYS A 43 7.013 -3.408 13.336 1.00 0.00 C ATOM 732 C LYS A 43 6.901 -3.340 14.856 1.00 0.00 C ATOM 733 O LYS A 43 7.044 -2.272 15.451 1.00 0.00 O ATOM 734 CB LYS A 43 8.484 -3.515 12.927 1.00 0.00 C ATOM 735 CG LYS A 43 8.703 -4.302 11.647 1.00 0.00 C ATOM 736 CD LYS A 43 9.912 -3.794 10.880 1.00 0.00 C ATOM 737 CE LYS A 43 9.542 -2.646 9.953 1.00 0.00 C ATOM 738 NZ LYS A 43 10.521 -2.493 8.841 1.00 0.00 N ATOM 0 H LYS A 43 6.431 -1.394 13.288 1.00 0.00 H new ATOM 0 HA LYS A 43 6.481 -4.293 12.989 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.891 -2.512 12.801 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.044 -3.987 13.734 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.840 -5.357 11.886 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.816 -4.230 11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.677 -3.464 11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.344 -4.608 10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.548 -2.818 9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.494 -1.719 10.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.234 -1.701 8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.465 -2.303 9.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.549 -3.368 8.280 1.00 0.00 H new ATOM 752 N ASP A 44 6.646 -4.486 15.478 1.00 0.00 N ATOM 753 CA ASP A 44 6.517 -4.557 16.929 1.00 0.00 C ATOM 754 C ASP A 44 7.873 -4.375 17.604 1.00 0.00 C ATOM 755 O ASP A 44 8.912 -4.366 16.943 1.00 0.00 O ATOM 756 CB ASP A 44 5.902 -5.894 17.343 1.00 0.00 C ATOM 757 CG ASP A 44 5.586 -5.951 18.825 1.00 0.00 C ATOM 758 OD1 ASP A 44 4.517 -5.444 19.222 1.00 0.00 O ATOM 759 OD2 ASP A 44 6.407 -6.503 19.586 1.00 0.00 O ATOM 0 H ASP A 44 6.524 -5.379 15.000 1.00 0.00 H new ATOM 0 HA ASP A 44 5.860 -3.749 17.251 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.988 -6.063 16.773 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.589 -6.701 17.090 1.00 0.00 H new ATOM 764 N LYS A 45 7.856 -4.230 18.924 1.00 0.00 N ATOM 765 CA LYS A 45 9.084 -4.049 19.690 1.00 0.00 C ATOM 766 C LYS A 45 9.702 -5.395 20.055 1.00 0.00 C ATOM 767 O LYS A 45 10.912 -5.585 19.936 1.00 0.00 O ATOM 768 CB LYS A 45 8.802 -3.244 20.961 1.00 0.00 C ATOM 769 CG LYS A 45 8.521 -1.774 20.701 1.00 0.00 C ATOM 770 CD LYS A 45 7.053 -1.534 20.388 1.00 0.00 C ATOM 771 CE LYS A 45 6.859 -0.272 19.562 1.00 0.00 C ATOM 772 NZ LYS A 45 7.292 -0.461 18.150 1.00 0.00 N ATOM 0 H LYS A 45 7.005 -4.234 19.487 1.00 0.00 H new ATOM 0 HA LYS A 45 9.792 -3.501 19.069 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.948 -3.683 21.477 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.657 -3.329 21.632 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.809 -1.188 21.574 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.133 -1.427 19.868 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.651 -2.390 19.846 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.490 -1.452 21.318 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.809 0.018 19.584 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.425 0.545 20.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.932 0.323 17.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.331 -0.477 18.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.916 -1.361 17.789 1.00 0.00 H new ATOM 786 N ASP A 46 8.863 -6.325 20.497 1.00 0.00 N ATOM 787 CA ASP A 46 9.327 -7.655 20.876 1.00 0.00 C ATOM 788 C ASP A 46 9.309 -8.598 19.677 1.00 0.00 C ATOM 789 O ASP A 46 10.359 -8.989 19.165 1.00 0.00 O ATOM 790 CB ASP A 46 8.456 -8.221 21.999 1.00 0.00 C ATOM 791 CG ASP A 46 8.632 -7.467 23.303 1.00 0.00 C ATOM 792 OD1 ASP A 46 8.256 -6.277 23.356 1.00 0.00 O ATOM 793 OD2 ASP A 46 9.144 -8.067 24.271 1.00 0.00 O ATOM 0 H ASP A 46 7.858 -6.183 20.602 1.00 0.00 H new ATOM 0 HA ASP A 46 10.354 -7.568 21.232 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.409 -8.182 21.698 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.704 -9.271 22.153 1.00 0.00 H new ATOM 798 N THR A 47 8.109 -8.963 19.235 1.00 0.00 N ATOM 799 CA THR A 47 7.955 -9.862 18.099 1.00 0.00 C ATOM 800 C THR A 47 8.730 -9.356 16.887 1.00 0.00 C ATOM 801 O THR A 47 9.280 -10.144 16.117 1.00 0.00 O ATOM 802 CB THR A 47 6.473 -10.029 17.712 1.00 0.00 C ATOM 803 OG1 THR A 47 5.842 -8.747 17.622 1.00 0.00 O ATOM 804 CG2 THR A 47 5.742 -10.890 18.732 1.00 0.00 C ATOM 0 H THR A 47 7.230 -8.649 19.647 1.00 0.00 H new ATOM 0 HA THR A 47 8.355 -10.829 18.405 1.00 0.00 H new ATOM 0 HB THR A 47 6.427 -10.524 16.742 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.893 -8.833 17.851 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.697 -10.994 18.438 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.207 -11.875 18.776 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.798 -10.418 19.713 1.00 0.00 H new ATOM 812 N ARG A 48 8.770 -8.038 16.725 1.00 0.00 N ATOM 813 CA ARG A 48 9.478 -7.427 15.606 1.00 0.00 C ATOM 814 C ARG A 48 8.893 -7.890 14.275 1.00 0.00 C ATOM 815 O ARG A 48 9.626 -8.177 13.328 1.00 0.00 O ATOM 816 CB ARG A 48 10.967 -7.772 15.668 1.00 0.00 C ATOM 817 CG ARG A 48 11.850 -6.801 14.900 1.00 0.00 C ATOM 818 CD ARG A 48 13.252 -7.358 14.706 1.00 0.00 C ATOM 819 NE ARG A 48 14.006 -6.604 13.708 1.00 0.00 N ATOM 820 CZ ARG A 48 15.251 -6.898 13.351 1.00 0.00 C ATOM 821 NH1 ARG A 48 15.878 -7.925 13.907 1.00 0.00 N ATOM 822 NH2 ARG A 48 15.871 -6.165 12.435 1.00 0.00 N ATOM 0 H ARG A 48 8.321 -7.372 17.354 1.00 0.00 H new ATOM 0 HA ARG A 48 9.359 -6.346 15.680 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.284 -7.791 16.711 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.115 -8.776 15.271 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.403 -6.591 13.928 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.904 -5.854 15.437 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.786 -7.336 15.656 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.188 -8.402 14.400 1.00 0.00 H new ATOM 0 HE ARG A 48 13.551 -5.808 13.261 1.00 0.00 H new ATOM 0 HH11 ARG A 48 15.404 -8.491 14.611 1.00 0.00 H new ATOM 0 HH12 ARG A 48 16.834 -8.149 13.631 1.00 0.00 H new ATOM 0 HH21 ARG A 48 15.391 -5.375 12.004 1.00 0.00 H new ATOM 0 HH22 ARG A 48 16.827 -6.392 12.162 1.00 0.00 H new ATOM 836 N LYS A 49 7.568 -7.960 14.209 1.00 0.00 N ATOM 837 CA LYS A 49 6.883 -8.387 12.995 1.00 0.00 C ATOM 838 C LYS A 49 6.018 -7.262 12.434 1.00 0.00 C ATOM 839 O LYS A 49 5.684 -6.312 13.142 1.00 0.00 O ATOM 840 CB LYS A 49 6.018 -9.617 13.278 1.00 0.00 C ATOM 841 CG LYS A 49 6.777 -10.756 13.936 1.00 0.00 C ATOM 842 CD LYS A 49 7.814 -11.350 12.998 1.00 0.00 C ATOM 843 CE LYS A 49 8.072 -12.816 13.309 1.00 0.00 C ATOM 844 NZ LYS A 49 6.987 -13.693 12.790 1.00 0.00 N ATOM 0 H LYS A 49 6.946 -7.726 14.983 1.00 0.00 H new ATOM 0 HA LYS A 49 7.639 -8.645 12.253 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.187 -9.326 13.921 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.588 -9.972 12.341 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.267 -10.394 14.839 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.076 -11.532 14.243 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.474 -11.250 11.967 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.745 -10.790 13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.023 -13.118 12.871 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.161 -12.948 14.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.964 -14.577 13.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.073 -13.205 12.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.165 -13.910 11.789 1.00 0.00 H new ATOM 858 N SER A 50 5.658 -7.378 11.160 1.00 0.00 N ATOM 859 CA SER A 50 4.834 -6.369 10.504 1.00 0.00 C ATOM 860 C SER A 50 3.529 -6.155 11.266 1.00 0.00 C ATOM 861 O SER A 50 3.000 -5.044 11.314 1.00 0.00 O ATOM 862 CB SER A 50 4.534 -6.784 9.063 1.00 0.00 C ATOM 863 OG SER A 50 3.458 -6.031 8.529 1.00 0.00 O ATOM 0 H SER A 50 5.924 -8.160 10.562 1.00 0.00 H new ATOM 0 HA SER A 50 5.388 -5.431 10.496 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.422 -6.642 8.448 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.290 -7.846 9.030 1.00 0.00 H new ATOM 0 HG SER A 50 3.287 -6.314 7.607 1.00 0.00 H new ATOM 869 N LYS A 51 3.016 -7.226 11.861 1.00 0.00 N ATOM 870 CA LYS A 51 1.774 -7.158 12.622 1.00 0.00 C ATOM 871 C LYS A 51 0.624 -6.676 11.744 1.00 0.00 C ATOM 872 O LYS A 51 -0.358 -6.123 12.239 1.00 0.00 O ATOM 873 CB LYS A 51 1.939 -6.223 13.823 1.00 0.00 C ATOM 874 CG LYS A 51 3.111 -6.585 14.719 1.00 0.00 C ATOM 875 CD LYS A 51 2.688 -7.523 15.838 1.00 0.00 C ATOM 876 CE LYS A 51 1.658 -6.875 16.750 1.00 0.00 C ATOM 877 NZ LYS A 51 1.765 -7.372 18.149 1.00 0.00 N ATOM 0 H LYS A 51 3.441 -8.153 11.831 1.00 0.00 H new ATOM 0 HA LYS A 51 1.540 -8.161 12.979 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.069 -5.202 13.463 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.023 -6.238 14.413 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.893 -7.056 14.124 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.538 -5.677 15.146 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.274 -8.436 15.411 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.562 -7.812 16.422 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.792 -5.793 16.738 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.657 -7.077 16.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.046 -6.906 18.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.612 -8.401 18.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.712 -7.157 18.522 1.00 0.00 H new ATOM 891 N GLY A 52 0.751 -6.892 10.438 1.00 0.00 N ATOM 892 CA GLY A 52 -0.286 -6.475 9.513 1.00 0.00 C ATOM 893 C GLY A 52 -0.274 -4.980 9.263 1.00 0.00 C ATOM 894 O GLY A 52 -0.524 -4.528 8.146 1.00 0.00 O ATOM 0 H GLY A 52 1.554 -7.348 10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.156 -6.999 8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.259 -6.766 9.908 1.00 0.00 H new ATOM 898 N VAL A 53 0.017 -4.210 10.307 1.00 0.00 N ATOM 899 CA VAL A 53 0.060 -2.757 10.195 1.00 0.00 C ATOM 900 C VAL A 53 1.091 -2.315 9.163 1.00 0.00 C ATOM 901 O VAL A 53 2.292 -2.509 9.348 1.00 0.00 O ATOM 902 CB VAL A 53 0.391 -2.100 11.549 1.00 0.00 C ATOM 903 CG1 VAL A 53 0.053 -0.617 11.519 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.351 -2.802 12.676 1.00 0.00 C ATOM 0 H VAL A 53 0.226 -4.568 11.239 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.931 -2.435 9.875 1.00 0.00 H new ATOM 0 HB VAL A 53 1.461 -2.201 11.731 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.293 -0.169 12.483 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.633 -0.127 10.737 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.010 -0.490 11.315 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.106 -2.325 13.625 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.425 -2.734 12.502 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.055 -3.850 12.709 1.00 0.00 H new ATOM 914 N ALA A 54 0.614 -1.720 8.075 1.00 0.00 N ATOM 915 CA ALA A 54 1.494 -1.248 7.014 1.00 0.00 C ATOM 916 C ALA A 54 1.015 0.088 6.456 1.00 0.00 C ATOM 917 O ALA A 54 -0.160 0.249 6.126 1.00 0.00 O ATOM 918 CB ALA A 54 1.584 -2.284 5.903 1.00 0.00 C ATOM 0 H ALA A 54 -0.378 -1.553 7.905 1.00 0.00 H new ATOM 0 HA ALA A 54 2.487 -1.099 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.245 -1.918 5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.981 -3.216 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.591 -2.461 5.489 1.00 0.00 H new ATOM 924 N PHE A 55 1.932 1.045 6.354 1.00 0.00 N ATOM 925 CA PHE A 55 1.602 2.368 5.838 1.00 0.00 C ATOM 926 C PHE A 55 1.988 2.490 4.367 1.00 0.00 C ATOM 927 O PHE A 55 3.149 2.304 4.002 1.00 0.00 O ATOM 928 CB PHE A 55 2.313 3.449 6.655 1.00 0.00 C ATOM 929 CG PHE A 55 1.625 3.771 7.951 1.00 0.00 C ATOM 930 CD1 PHE A 55 0.877 2.810 8.611 1.00 0.00 C ATOM 931 CD2 PHE A 55 1.727 5.036 8.508 1.00 0.00 C ATOM 932 CE1 PHE A 55 0.243 3.103 9.803 1.00 0.00 C ATOM 933 CE2 PHE A 55 1.095 5.334 9.701 1.00 0.00 C ATOM 934 CZ PHE A 55 0.352 4.367 10.349 1.00 0.00 C ATOM 0 H PHE A 55 2.909 0.929 6.622 1.00 0.00 H new ATOM 0 HA PHE A 55 0.524 2.506 5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.332 3.123 6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.386 4.357 6.056 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.788 1.820 8.189 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.306 5.797 8.005 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.337 2.344 10.307 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.182 6.323 10.126 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.143 4.599 11.281 1.00 0.00 H new ATOM 944 N ILE A 56 1.007 2.802 3.528 1.00 0.00 N ATOM 945 CA ILE A 56 1.243 2.949 2.097 1.00 0.00 C ATOM 946 C ILE A 56 1.272 4.419 1.693 1.00 0.00 C ATOM 947 O ILE A 56 0.336 5.170 1.972 1.00 0.00 O ATOM 948 CB ILE A 56 0.166 2.222 1.271 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.095 0.747 1.670 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.456 2.360 -0.216 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.401 0.007 1.484 1.00 0.00 C ATOM 0 H ILE A 56 0.040 2.958 3.814 1.00 0.00 H new ATOM 0 HA ILE A 56 2.214 2.498 1.889 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.800 2.682 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.208 0.676 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.679 0.256 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.314 1.841 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.461 3.415 -0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.429 1.923 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.276 -1.033 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.696 0.047 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.174 0.473 2.096 1.00 0.00 H new ATOM 963 N LEU A 57 2.351 4.824 1.032 1.00 0.00 N ATOM 964 CA LEU A 57 2.501 6.205 0.586 1.00 0.00 C ATOM 965 C LEU A 57 2.139 6.344 -0.889 1.00 0.00 C ATOM 966 O LEU A 57 2.649 5.610 -1.736 1.00 0.00 O ATOM 967 CB LEU A 57 3.935 6.683 0.818 1.00 0.00 C ATOM 968 CG LEU A 57 4.142 8.198 0.849 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.468 8.543 1.508 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.077 8.773 -0.559 1.00 0.00 C ATOM 0 H LEU A 57 3.134 4.216 0.793 1.00 0.00 H new ATOM 0 HA LEU A 57 1.819 6.825 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.286 6.269 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.567 6.266 0.034 1.00 0.00 H new ATOM 0 HG LEU A 57 3.341 8.643 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.597 9.625 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.476 8.165 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.283 8.087 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.226 9.852 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.857 8.322 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.102 8.558 -0.995 1.00 0.00 H new ATOM 982 N PHE A 58 1.257 7.292 -1.190 1.00 0.00 N ATOM 983 CA PHE A 58 0.828 7.528 -2.563 1.00 0.00 C ATOM 984 C PHE A 58 1.390 8.845 -3.090 1.00 0.00 C ATOM 985 O PHE A 58 1.681 9.761 -2.320 1.00 0.00 O ATOM 986 CB PHE A 58 -0.700 7.543 -2.647 1.00 0.00 C ATOM 987 CG PHE A 58 -1.322 6.183 -2.501 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.317 5.533 -1.277 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.912 5.556 -3.586 1.00 0.00 C ATOM 990 CE1 PHE A 58 -1.888 4.282 -1.141 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.484 4.305 -3.456 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.473 3.668 -2.231 1.00 0.00 C ATOM 0 H PHE A 58 0.826 7.909 -0.501 1.00 0.00 H new ATOM 0 HA PHE A 58 1.211 6.716 -3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.092 8.198 -1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.999 7.970 -3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.862 6.009 -0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.925 6.051 -4.546 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.877 3.785 -0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.939 3.826 -4.311 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.921 2.691 -2.125 1.00 0.00 H new ATOM 1002 N LEU A 59 1.541 8.932 -4.407 1.00 0.00 N ATOM 1003 CA LEU A 59 2.070 10.136 -5.039 1.00 0.00 C ATOM 1004 C LEU A 59 1.071 11.285 -4.942 1.00 0.00 C ATOM 1005 O LEU A 59 1.445 12.425 -4.668 1.00 0.00 O ATOM 1006 CB LEU A 59 2.407 9.861 -6.505 1.00 0.00 C ATOM 1007 CG LEU A 59 3.332 10.873 -7.182 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.726 10.809 -6.579 1.00 0.00 C ATOM 1009 CD2 LEU A 59 3.386 10.624 -8.683 1.00 0.00 C ATOM 0 H LEU A 59 1.305 8.183 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 59 2.980 10.424 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.868 8.876 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.475 9.816 -7.069 1.00 0.00 H new ATOM 0 HG LEU A 59 2.932 11.873 -7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.370 11.536 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.673 11.036 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.136 9.809 -6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.049 11.353 -9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.762 9.619 -8.872 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.385 10.722 -9.104 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.202 10.975 -5.167 1.00 0.00 N ATOM 1022 CA ASP A 60 -1.256 11.981 -5.102 1.00 0.00 C ATOM 1023 C ASP A 60 -2.311 11.596 -4.069 1.00 0.00 C ATOM 1024 O ASP A 60 -2.723 10.439 -3.988 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.908 12.157 -6.474 1.00 0.00 C ATOM 1026 CG ASP A 60 -3.244 12.868 -6.394 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -3.390 13.759 -5.532 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -4.144 12.532 -7.192 1.00 0.00 O ATOM 0 H ASP A 60 -0.528 10.036 -5.396 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.805 12.926 -4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.238 12.722 -7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.047 11.179 -6.935 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.744 12.574 -3.281 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.752 12.340 -2.254 1.00 0.00 C ATOM 1035 C LYS A 61 -5.057 11.849 -2.872 1.00 0.00 C ATOM 1036 O LYS A 61 -5.651 10.878 -2.403 1.00 0.00 O ATOM 1037 CB LYS A 61 -4.003 13.621 -1.455 1.00 0.00 C ATOM 1038 CG LYS A 61 -5.260 13.570 -0.604 1.00 0.00 C ATOM 1039 CD LYS A 61 -5.737 14.964 -0.230 1.00 0.00 C ATOM 1040 CE LYS A 61 -6.458 15.636 -1.388 1.00 0.00 C ATOM 1041 NZ LYS A 61 -7.887 15.224 -1.465 1.00 0.00 N ATOM 0 H LYS A 61 -2.412 13.537 -3.334 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.377 11.568 -1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.145 13.811 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.075 14.462 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.048 13.049 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.064 12.996 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.405 14.903 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.885 15.573 0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.398 16.718 -1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.957 15.385 -2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.223 15.318 -2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.980 14.234 -1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.458 15.832 -0.843 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.496 12.525 -3.928 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.730 12.156 -4.613 1.00 0.00 C ATOM 1057 C ASP A 62 -6.788 10.651 -4.855 1.00 0.00 C ATOM 1058 O ASP A 62 -7.838 10.027 -4.699 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.843 12.903 -5.943 1.00 0.00 C ATOM 1060 CG ASP A 62 -8.283 13.124 -6.362 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -8.988 13.897 -5.680 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -8.705 12.525 -7.373 1.00 0.00 O ATOM 0 H ASP A 62 -5.016 13.331 -4.328 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.568 12.436 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.340 13.866 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.324 12.339 -6.718 1.00 0.00 H new ATOM 1067 N SER A 63 -5.653 10.074 -5.236 1.00 0.00 N ATOM 1068 CA SER A 63 -5.576 8.642 -5.504 1.00 0.00 C ATOM 1069 C SER A 63 -5.650 7.842 -4.207 1.00 0.00 C ATOM 1070 O SER A 63 -6.287 6.791 -4.150 1.00 0.00 O ATOM 1071 CB SER A 63 -4.281 8.310 -6.248 1.00 0.00 C ATOM 1072 OG SER A 63 -4.108 9.155 -7.373 1.00 0.00 O ATOM 0 H SER A 63 -4.774 10.575 -5.366 1.00 0.00 H new ATOM 0 HA SER A 63 -6.426 8.368 -6.129 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.432 8.419 -5.573 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.300 7.269 -6.571 1.00 0.00 H new ATOM 0 HG SER A 63 -3.273 8.924 -7.830 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.994 8.349 -3.169 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.987 7.684 -1.872 1.00 0.00 C ATOM 1080 C ALA A 64 -6.406 7.434 -1.375 1.00 0.00 C ATOM 1081 O ALA A 64 -6.806 6.290 -1.161 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.209 8.511 -0.859 1.00 0.00 C ATOM 0 H ALA A 64 -4.461 9.218 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.496 6.718 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.212 8.002 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.181 8.633 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.675 9.491 -0.754 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.163 8.511 -1.192 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.538 8.408 -0.719 1.00 0.00 C ATOM 1090 C GLN A 65 -9.259 7.244 -1.391 1.00 0.00 C ATOM 1091 O GLN A 65 -9.742 6.331 -0.722 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.291 9.712 -0.985 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.749 10.898 -0.204 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.735 12.047 -0.130 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -9.780 12.900 -1.017 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -10.532 12.076 0.932 1.00 0.00 N ATOM 0 H GLN A 65 -6.847 9.465 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.513 8.225 0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.245 9.938 -2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.342 9.572 -0.734 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.494 10.577 0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.827 11.245 -0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.461 11.348 1.643 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.216 12.826 1.036 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.327 7.284 -2.718 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.990 6.232 -3.480 1.00 0.00 C ATOM 1107 C ASN A 66 -9.668 4.857 -2.904 1.00 0.00 C ATOM 1108 O ASN A 66 -10.569 4.082 -2.580 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.566 6.294 -4.949 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.147 5.157 -5.767 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -11.022 4.427 -5.302 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -9.660 5.002 -6.993 1.00 0.00 N ATOM 0 H ASN A 66 -8.932 8.032 -3.287 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.066 6.391 -3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.884 7.245 -5.376 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.478 6.264 -5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.011 4.254 -7.591 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.935 5.631 -7.337 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.379 4.561 -2.780 1.00 0.00 N ATOM 1120 CA CYS A 67 -7.938 3.278 -2.243 1.00 0.00 C ATOM 1121 C CYS A 67 -8.410 3.100 -0.803 1.00 0.00 C ATOM 1122 O CYS A 67 -8.742 1.993 -0.379 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.414 3.171 -2.310 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.760 1.580 -1.752 1.00 0.00 S ATOM 0 H CYS A 67 -7.621 5.191 -3.044 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.378 2.487 -2.850 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.093 3.343 -3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.978 3.964 -1.703 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.150 0.642 -2.563 1.00 0.00 H new ATOM 1130 N THR A 68 -8.435 4.198 -0.054 1.00 0.00 N ATOM 1131 CA THR A 68 -8.863 4.163 1.339 1.00 0.00 C ATOM 1132 C THR A 68 -10.355 3.872 1.448 1.00 0.00 C ATOM 1133 O THR A 68 -10.883 3.692 2.546 1.00 0.00 O ATOM 1134 CB THR A 68 -8.557 5.493 2.054 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.274 5.983 1.650 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.585 5.314 3.564 1.00 0.00 C ATOM 0 H THR A 68 -8.164 5.123 -0.389 1.00 0.00 H new ATOM 0 HA THR A 68 -8.303 3.362 1.822 1.00 0.00 H new ATOM 0 HB THR A 68 -9.325 6.215 1.775 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.644 5.235 1.583 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.366 6.266 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.572 4.970 3.871 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.836 4.578 3.857 1.00 0.00 H new ATOM 1144 N ARG A 69 -11.030 3.825 0.304 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.462 3.555 0.273 1.00 0.00 C ATOM 1146 C ARG A 69 -12.756 2.268 -0.492 1.00 0.00 C ATOM 1147 O ARG A 69 -13.762 1.604 -0.245 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.209 4.725 -0.371 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.640 4.394 -0.762 1.00 0.00 C ATOM 1150 CD ARG A 69 -14.715 3.831 -2.173 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.086 3.796 -2.675 1.00 0.00 N ATOM 1152 CZ ARG A 69 -16.931 2.799 -2.434 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -16.547 1.762 -1.702 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -18.163 2.839 -2.926 1.00 0.00 N ATOM 0 H ARG A 69 -10.608 3.970 -0.613 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.806 3.434 1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.216 5.566 0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.665 5.048 -1.258 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -15.053 3.671 -0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.254 5.292 -0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.100 4.437 -2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.299 2.824 -2.184 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.413 4.579 -3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.601 1.728 -1.322 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.198 0.998 -1.519 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -18.462 3.635 -3.489 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.811 2.074 -2.741 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.871 1.923 -1.422 1.00 0.00 N ATOM 1169 CA ALA A 70 -12.035 0.716 -2.222 1.00 0.00 C ATOM 1170 C ALA A 70 -11.797 -0.535 -1.382 1.00 0.00 C ATOM 1171 O ALA A 70 -12.600 -1.468 -1.401 1.00 0.00 O ATOM 1172 CB ALA A 70 -11.091 0.741 -3.415 1.00 0.00 C ATOM 0 H ALA A 70 -11.033 2.463 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.062 0.688 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.224 -0.167 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.310 1.611 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.061 0.797 -3.063 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.689 -0.548 -0.649 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.347 -1.684 0.197 1.00 0.00 C ATOM 1180 C ILE A 71 -10.996 -1.562 1.571 1.00 0.00 C ATOM 1181 O ILE A 71 -11.283 -2.564 2.225 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.822 -1.817 0.372 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.308 -0.770 1.362 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -8.121 -1.673 -0.971 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.817 -0.852 1.608 1.00 0.00 C ATOM 0 H ILE A 71 -10.013 0.215 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.726 -2.575 -0.303 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.601 -2.807 0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.552 0.224 0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.832 -0.890 2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.044 -1.769 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.470 -2.452 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.346 -0.695 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.523 -0.081 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.568 -1.833 2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.284 -0.702 0.669 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.226 -0.326 2.003 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.843 -0.072 3.300 1.00 0.00 C ATOM 1199 C ASN A 72 -13.118 -0.893 3.466 1.00 0.00 C ATOM 1200 O ASN A 72 -13.921 -1.005 2.541 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.158 1.417 3.455 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.335 1.665 4.379 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -14.471 1.309 4.066 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -13.067 2.281 5.525 1.00 0.00 N ATOM 0 H ASN A 72 -10.994 0.515 1.474 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.137 -0.370 4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.280 1.933 3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.372 1.844 2.475 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.818 2.477 6.187 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.110 2.558 5.743 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.296 -1.466 4.652 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.473 -2.278 4.940 1.00 0.00 C ATOM 1213 C ASN A 73 -14.576 -3.451 3.970 1.00 0.00 C ATOM 1214 O ASN A 73 -15.664 -3.968 3.717 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.740 -1.423 4.859 1.00 0.00 C ATOM 1216 CG ASN A 73 -16.879 -1.998 5.679 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -16.766 -3.088 6.239 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -17.983 -1.264 5.753 1.00 0.00 N ATOM 0 H ASN A 73 -12.640 -1.383 5.429 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.372 -2.673 5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.518 -0.415 5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.052 -1.338 3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -18.783 -1.598 6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -18.031 -0.366 5.272 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.435 -3.866 3.430 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.394 -4.980 2.489 1.00 0.00 C ATOM 1227 C LYS A 74 -12.454 -6.075 2.983 1.00 0.00 C ATOM 1228 O LYS A 74 -11.438 -5.792 3.618 1.00 0.00 O ATOM 1229 CB LYS A 74 -12.947 -4.492 1.110 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.526 -5.300 -0.039 1.00 0.00 C ATOM 1231 CD LYS A 74 -14.843 -4.716 -0.523 1.00 0.00 C ATOM 1232 CE LYS A 74 -15.996 -5.111 0.386 1.00 0.00 C ATOM 1233 NZ LYS A 74 -17.316 -4.753 -0.204 1.00 0.00 N ATOM 0 H LYS A 74 -12.526 -3.448 3.628 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.398 -5.396 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.238 -3.448 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.859 -4.528 1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.813 -5.325 -0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.680 -6.331 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.767 -3.629 -0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.044 -5.060 -1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.961 -6.184 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.883 -4.617 1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.076 -5.039 0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.360 -3.725 -0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.435 -5.245 -1.113 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.799 -7.323 2.684 1.00 0.00 N ATOM 1248 CA GLN A 75 -11.984 -8.459 3.098 1.00 0.00 C ATOM 1249 C GLN A 75 -11.012 -8.863 1.994 1.00 0.00 C ATOM 1250 O GLN A 75 -11.376 -8.908 0.818 1.00 0.00 O ATOM 1251 CB GLN A 75 -12.876 -9.646 3.467 1.00 0.00 C ATOM 1252 CG GLN A 75 -14.208 -9.240 4.076 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.300 -9.081 3.037 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -15.644 -7.965 2.646 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -15.853 -10.200 2.582 1.00 0.00 N ATOM 0 H GLN A 75 -13.636 -7.573 2.157 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.407 -8.160 3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.061 -10.242 2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.343 -10.285 4.172 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.513 -9.990 4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.085 -8.301 4.615 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.538 -11.104 2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.593 -10.155 1.881 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.774 -9.154 2.379 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.749 -9.554 1.421 1.00 0.00 C ATOM 1266 C LEU A 76 -7.884 -10.676 1.986 1.00 0.00 C ATOM 1267 O LEU A 76 -7.654 -10.749 3.193 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.873 -8.355 1.053 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.450 -7.396 0.011 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.441 -6.440 0.657 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.335 -6.625 -0.680 1.00 0.00 C ATOM 0 H LEU A 76 -9.456 -9.120 3.348 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.248 -9.922 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.665 -7.790 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.918 -8.728 0.684 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.979 -7.982 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.841 -5.765 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.256 -7.009 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.936 -5.860 1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.764 -5.948 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.778 -6.050 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.663 -7.324 -1.177 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.406 -11.548 1.105 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.565 -12.667 1.515 1.00 0.00 C ATOM 1285 C PHE A 77 -7.136 -13.351 2.754 1.00 0.00 C ATOM 1286 O PHE A 77 -6.397 -13.893 3.574 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.140 -12.184 1.797 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.384 -11.794 0.559 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.571 -10.548 -0.018 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.486 -12.672 -0.026 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -3.877 -10.187 -1.158 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.789 -12.315 -1.165 1.00 0.00 C ATOM 1293 CZ PHE A 77 -2.984 -11.071 -1.731 1.00 0.00 C ATOM 0 H PHE A 77 -7.587 -11.502 0.102 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.542 -13.390 0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.181 -11.329 2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.593 -12.973 2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.266 -9.852 0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.329 -13.646 0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.033 -9.214 -1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.092 -13.009 -1.612 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.439 -10.790 -2.620 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.459 -13.321 2.882 1.00 0.00 N ATOM 1304 CA GLY A 78 -9.108 -13.941 4.022 1.00 0.00 C ATOM 1305 C GLY A 78 -8.842 -13.197 5.316 1.00 0.00 C ATOM 1306 O GLY A 78 -8.629 -13.812 6.361 1.00 0.00 O ATOM 0 H GLY A 78 -9.093 -12.878 2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.183 -13.984 3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.760 -14.969 4.120 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.851 -11.870 5.246 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.606 -11.041 6.421 1.00 0.00 C ATOM 1312 C ARG A 79 -9.111 -9.619 6.198 1.00 0.00 C ATOM 1313 O ARG A 79 -8.617 -8.903 5.327 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.112 -11.018 6.751 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.216 -11.148 5.530 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.758 -11.319 5.925 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.506 -12.620 6.540 1.00 0.00 N ATOM 1318 CZ ARG A 79 -4.624 -12.853 7.842 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -4.987 -11.877 8.663 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -4.378 -14.063 8.326 1.00 0.00 N ATOM 0 H ARG A 79 -9.025 -11.346 4.389 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.150 -11.473 7.261 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.877 -10.087 7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.889 -11.830 7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.535 -12.002 4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.323 -10.263 4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.128 -11.207 5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.476 -10.529 6.620 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.224 -13.392 5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.176 -10.945 8.295 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.077 -12.058 9.663 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.098 -14.816 7.698 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.469 -14.240 9.326 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.099 -9.216 6.991 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.671 -7.880 6.881 1.00 0.00 C ATOM 1336 C VAL A 80 -9.592 -6.809 6.992 1.00 0.00 C ATOM 1337 O VAL A 80 -9.037 -6.583 8.068 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.737 -7.634 7.965 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.324 -6.238 7.831 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.828 -8.691 7.888 1.00 0.00 C ATOM 0 H VAL A 80 -10.520 -9.796 7.717 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.141 -7.817 5.900 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.260 -7.708 8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.075 -6.083 8.606 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.531 -5.498 7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.787 -6.131 6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.573 -8.502 8.661 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.304 -8.652 6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.390 -9.678 8.040 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.299 -6.152 5.875 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.287 -5.104 5.848 1.00 0.00 C ATOM 1352 C ILE A 81 -8.911 -3.732 6.080 1.00 0.00 C ATOM 1353 O ILE A 81 -9.881 -3.359 5.420 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.526 -5.090 4.509 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -6.838 -6.436 4.275 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.510 -3.958 4.489 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.711 -6.371 3.268 1.00 0.00 C ATOM 0 H ILE A 81 -9.749 -6.327 4.976 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.585 -5.322 6.653 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.241 -4.924 3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.447 -6.805 5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.579 -7.159 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.980 -3.961 3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.024 -3.005 4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.796 -4.095 5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.269 -7.361 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.100 -6.033 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.951 -5.673 3.618 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.346 -2.983 7.021 1.00 0.00 N ATOM 1370 CA LYS A 82 -8.843 -1.650 7.339 1.00 0.00 C ATOM 1371 C LYS A 82 -7.952 -0.575 6.723 1.00 0.00 C ATOM 1372 O LYS A 82 -6.734 -0.593 6.894 1.00 0.00 O ATOM 1373 CB LYS A 82 -8.917 -1.459 8.855 1.00 0.00 C ATOM 1374 CG LYS A 82 -10.101 -2.158 9.500 1.00 0.00 C ATOM 1375 CD LYS A 82 -9.753 -3.578 9.914 1.00 0.00 C ATOM 1376 CE LYS A 82 -10.677 -4.080 11.013 1.00 0.00 C ATOM 1377 NZ LYS A 82 -10.615 -3.219 12.226 1.00 0.00 N ATOM 0 H LYS A 82 -7.543 -3.277 7.577 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.844 -1.553 6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.997 -1.832 9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.971 -0.393 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.427 -1.593 10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.938 -2.176 8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.822 -4.238 9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.720 -3.614 10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.701 -4.110 10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.404 -5.101 11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.907 -3.770 13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.642 -2.878 12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.253 -2.406 12.108 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.569 0.360 6.008 1.00 0.00 N ATOM 1392 CA ALA A 83 -7.831 1.444 5.370 1.00 0.00 C ATOM 1393 C ALA A 83 -8.318 2.802 5.862 1.00 0.00 C ATOM 1394 O ALA A 83 -9.522 3.048 5.945 1.00 0.00 O ATOM 1395 CB ALA A 83 -7.960 1.351 3.857 1.00 0.00 C ATOM 0 H ALA A 83 -9.577 0.389 5.856 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.780 1.344 5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.404 2.166 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.557 0.397 3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.011 1.423 3.576 1.00 0.00 H new ATOM 1401 N SER A 84 -7.376 3.681 6.188 1.00 0.00 N ATOM 1402 CA SER A 84 -7.710 5.014 6.676 1.00 0.00 C ATOM 1403 C SER A 84 -6.502 5.943 6.589 1.00 0.00 C ATOM 1404 O SER A 84 -5.425 5.628 7.095 1.00 0.00 O ATOM 1405 CB SER A 84 -8.207 4.941 8.121 1.00 0.00 C ATOM 1406 OG SER A 84 -9.609 4.737 8.168 1.00 0.00 O ATOM 0 H SER A 84 -6.375 3.494 6.123 1.00 0.00 H new ATOM 0 HA SER A 84 -8.503 5.417 6.046 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.700 4.129 8.643 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.953 5.863 8.643 1.00 0.00 H new ATOM 0 HG SER A 84 -9.877 4.136 7.441 1.00 0.00 H new ATOM 1412 N ILE A 85 -6.691 7.088 5.942 1.00 0.00 N ATOM 1413 CA ILE A 85 -5.619 8.063 5.788 1.00 0.00 C ATOM 1414 C ILE A 85 -4.763 8.143 7.048 1.00 0.00 C ATOM 1415 O ILE A 85 -5.255 7.947 8.159 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.173 9.464 5.469 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.257 9.374 4.392 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.051 10.389 5.022 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.853 8.541 3.197 1.00 0.00 C ATOM 0 H ILE A 85 -7.576 7.363 5.516 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.004 7.726 4.954 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.619 9.877 6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.160 8.950 4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.508 10.380 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.459 11.375 4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.310 10.473 5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.579 9.982 4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.669 8.521 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.968 8.976 2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.630 7.524 3.521 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.479 8.434 6.867 1.00 0.00 N ATOM 1432 CA ALA A 86 -2.555 8.543 7.989 1.00 0.00 C ATOM 1433 C ALA A 86 -1.860 9.901 7.998 1.00 0.00 C ATOM 1434 O ALA A 86 -0.631 9.980 7.986 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.527 7.423 7.938 1.00 0.00 C ATOM 0 H ALA A 86 -3.055 8.598 5.954 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.130 8.452 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.844 7.517 8.782 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.035 6.460 7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.964 7.488 7.007 1.00 0.00 H new