USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 542 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 Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.157 USER MOD Single : A 42 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 44 CYS SG : rot -167:sc= -1.1 USER MOD Single : A 46 SER OG : rot 79:sc= 1.27 USER MOD Single : A 47 THR OG1 : rot -48:sc= 1.23 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 57 CYS SG : rot -19:sc= -1.51 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 63 ASN : amide:sc= -1.25! X(o=-1.3!,f=-0.96) USER MOD Single : A 74 CYS SG : rot -17:sc= -0.909 USER MOD Single : A 76 GLN : amide:sc= -3.46! K(o=-3.5!,f=-1.5) USER MOD Single : A 78 CYS SG : rot -112:sc= 0.659 USER MOD Single : A 79 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.17) USER MOD Single : A 82 CYS SG : rot -160:sc= -0.913 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 149:sc= -0.483 (180deg=-2.24) USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.153) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 162:sc= -1.57 (180deg=-2.35!) USER MOD Single : A 99 MET CE :methyl -170:sc= 0 (180deg=-0.106) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.465 -6.018 8.643 1.00 0.00 N ATOM 143 CA GLN A 34 -7.095 -7.396 8.948 1.00 0.00 C ATOM 144 C GLN A 34 -6.094 -7.934 7.927 1.00 0.00 C ATOM 145 O GLN A 34 -5.674 -9.088 8.002 1.00 0.00 O ATOM 146 CB GLN A 34 -8.342 -8.282 8.983 1.00 0.00 C ATOM 147 CG GLN A 34 -8.106 -9.647 9.606 1.00 0.00 C ATOM 148 CD GLN A 34 -9.368 -10.486 9.664 1.00 0.00 C ATOM 149 OE1 GLN A 34 -10.117 -10.435 10.640 1.00 0.00 O ATOM 150 NE2 GLN A 34 -9.608 -11.265 8.616 1.00 0.00 N ATOM 0 HA GLN A 34 -6.620 -7.411 9.929 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.125 -7.769 9.541 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.710 -8.416 7.966 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.347 -10.178 9.032 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.712 -9.519 10.614 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.959 -11.275 7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.441 -11.853 8.598 1.00 0.00 H new ATOM 159 N TRP A 35 -5.714 -7.087 6.973 1.00 0.00 N ATOM 160 CA TRP A 35 -4.758 -7.475 5.939 1.00 0.00 C ATOM 161 C TRP A 35 -3.417 -7.863 6.555 1.00 0.00 C ATOM 162 O TRP A 35 -3.147 -7.566 7.719 1.00 0.00 O ATOM 163 CB TRP A 35 -4.555 -6.329 4.944 1.00 0.00 C ATOM 164 CG TRP A 35 -5.460 -6.396 3.751 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.717 -6.929 3.696 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.174 -5.907 2.435 1.00 0.00 C ATOM 167 NE1 TRP A 35 -7.228 -6.800 2.426 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.299 -6.175 1.635 1.00 0.00 C ATOM 169 CE3 TRP A 35 -4.074 -5.266 1.859 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.356 -5.826 0.288 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.131 -4.918 0.522 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.264 -5.199 -0.251 1.00 0.00 C ATOM 0 H TRP A 35 -6.053 -6.128 6.895 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.164 -8.339 5.414 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.716 -5.381 5.458 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.520 -6.335 4.604 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.233 -7.385 4.528 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.148 -7.118 2.122 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.195 -5.046 2.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.229 -6.042 -0.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.287 -4.421 0.066 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.277 -4.916 -1.293 1.00 0.00 H new ATOM 183 N SER A 36 -2.581 -8.528 5.763 1.00 0.00 N ATOM 184 CA SER A 36 -1.265 -8.956 6.224 1.00 0.00 C ATOM 185 C SER A 36 -0.169 -8.372 5.339 1.00 0.00 C ATOM 186 O SER A 36 -0.450 -7.634 4.394 1.00 0.00 O ATOM 187 CB SER A 36 -1.174 -10.483 6.235 1.00 0.00 C ATOM 188 OG SER A 36 0.047 -10.918 6.807 1.00 0.00 O ATOM 0 H SER A 36 -2.792 -8.782 4.798 1.00 0.00 H new ATOM 0 HA SER A 36 -1.123 -8.588 7.240 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.011 -10.896 6.799 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.257 -10.863 5.217 1.00 0.00 H new ATOM 0 HG SER A 36 0.079 -11.897 6.804 1.00 0.00 H new ATOM 194 N VAL A 37 1.079 -8.707 5.647 1.00 0.00 N ATOM 195 CA VAL A 37 2.217 -8.209 4.881 1.00 0.00 C ATOM 196 C VAL A 37 2.161 -8.677 3.429 1.00 0.00 C ATOM 197 O VAL A 37 2.235 -7.867 2.507 1.00 0.00 O ATOM 198 CB VAL A 37 3.554 -8.656 5.506 1.00 0.00 C ATOM 199 CG1 VAL A 37 4.728 -8.189 4.661 1.00 0.00 C ATOM 200 CG2 VAL A 37 3.679 -8.134 6.928 1.00 0.00 C ATOM 0 H VAL A 37 1.329 -9.321 6.422 1.00 0.00 H new ATOM 0 HA VAL A 37 2.158 -7.121 4.905 1.00 0.00 H new ATOM 0 HB VAL A 37 3.568 -9.746 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.660 -8.516 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.648 -8.615 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.718 -7.101 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.629 -8.459 7.353 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.639 -7.045 6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.859 -8.523 7.532 1.00 0.00 H new ATOM 210 N ASP A 38 2.029 -9.985 3.235 1.00 0.00 N ATOM 211 CA ASP A 38 1.974 -10.557 1.893 1.00 0.00 C ATOM 212 C ASP A 38 0.818 -9.973 1.085 1.00 0.00 C ATOM 213 O ASP A 38 0.913 -9.828 -0.134 1.00 0.00 O ATOM 214 CB ASP A 38 1.838 -12.079 1.972 1.00 0.00 C ATOM 215 CG ASP A 38 3.004 -12.727 2.693 1.00 0.00 C ATOM 216 OD1 ASP A 38 4.045 -12.964 2.044 1.00 0.00 O ATOM 217 OD2 ASP A 38 2.877 -12.996 3.906 1.00 0.00 O ATOM 0 H ASP A 38 1.958 -10.669 3.988 1.00 0.00 H new ATOM 0 HA ASP A 38 2.904 -10.303 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.911 -12.332 2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.765 -12.487 0.964 1.00 0.00 H new ATOM 222 N ASP A 39 -0.272 -9.635 1.768 1.00 0.00 N ATOM 223 CA ASP A 39 -1.446 -9.072 1.109 1.00 0.00 C ATOM 224 C ASP A 39 -1.182 -7.651 0.621 1.00 0.00 C ATOM 225 O ASP A 39 -1.513 -7.302 -0.513 1.00 0.00 O ATOM 226 CB ASP A 39 -2.645 -9.081 2.060 1.00 0.00 C ATOM 227 CG ASP A 39 -3.088 -10.484 2.420 1.00 0.00 C ATOM 228 OD1 ASP A 39 -3.898 -11.063 1.666 1.00 0.00 O ATOM 229 OD2 ASP A 39 -2.625 -11.007 3.456 1.00 0.00 O ATOM 0 H ASP A 39 -0.367 -9.741 2.778 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.669 -9.694 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.387 -8.540 2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.476 -8.548 1.597 1.00 0.00 H new ATOM 234 N VAL A 40 -0.583 -6.835 1.482 1.00 0.00 N ATOM 235 CA VAL A 40 -0.284 -5.449 1.141 1.00 0.00 C ATOM 236 C VAL A 40 0.757 -5.358 0.030 1.00 0.00 C ATOM 237 O VAL A 40 0.574 -4.628 -0.942 1.00 0.00 O ATOM 238 CB VAL A 40 0.227 -4.668 2.370 1.00 0.00 C ATOM 239 CG1 VAL A 40 0.632 -3.254 1.980 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.831 -4.641 3.463 1.00 0.00 C ATOM 0 H VAL A 40 -0.295 -7.110 2.421 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.217 -5.005 0.793 1.00 0.00 H new ATOM 0 HB VAL A 40 1.108 -5.179 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.989 -2.722 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.426 -3.296 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.229 -2.731 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.453 -4.086 4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.732 -4.157 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.067 -5.661 3.766 1.00 0.00 H new ATOM 250 N ILE A 41 1.846 -6.101 0.183 1.00 0.00 N ATOM 251 CA ILE A 41 2.923 -6.095 -0.800 1.00 0.00 C ATOM 252 C ILE A 41 2.432 -6.512 -2.183 1.00 0.00 C ATOM 253 O ILE A 41 2.625 -5.787 -3.158 1.00 0.00 O ATOM 254 CB ILE A 41 4.073 -7.026 -0.372 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.641 -6.576 0.974 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.164 -7.048 -1.434 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.707 -7.499 1.519 1.00 0.00 C ATOM 0 H ILE A 41 2.007 -6.717 0.980 1.00 0.00 H new ATOM 0 HA ILE A 41 3.288 -5.069 -0.853 1.00 0.00 H new ATOM 0 HB ILE A 41 3.682 -8.038 -0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.059 -5.575 0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.828 -6.506 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.969 -7.711 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.748 -7.408 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.557 -6.041 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.064 -7.118 2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.288 -8.496 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.538 -7.550 0.816 1.00 0.00 H new ATOM 269 N THR A 42 1.804 -7.680 -2.266 1.00 0.00 N ATOM 270 CA THR A 42 1.299 -8.185 -3.539 1.00 0.00 C ATOM 271 C THR A 42 0.406 -7.161 -4.236 1.00 0.00 C ATOM 272 O THR A 42 0.727 -6.691 -5.327 1.00 0.00 O ATOM 273 CB THR A 42 0.512 -9.498 -3.359 1.00 0.00 C ATOM 274 OG1 THR A 42 1.345 -10.488 -2.745 1.00 0.00 O ATOM 275 CG2 THR A 42 0.009 -10.013 -4.700 1.00 0.00 C ATOM 0 H THR A 42 1.632 -8.294 -1.470 1.00 0.00 H new ATOM 0 HA THR A 42 2.174 -8.377 -4.160 1.00 0.00 H new ATOM 0 HB THR A 42 -0.346 -9.298 -2.718 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.395 -10.321 -1.781 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.544 -10.940 -4.550 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.647 -9.269 -5.153 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.857 -10.199 -5.360 1.00 0.00 H new ATOM 283 N TRP A 43 -0.715 -6.822 -3.604 1.00 0.00 N ATOM 284 CA TRP A 43 -1.654 -5.858 -4.172 1.00 0.00 C ATOM 285 C TRP A 43 -0.954 -4.556 -4.558 1.00 0.00 C ATOM 286 O TRP A 43 -1.220 -3.992 -5.619 1.00 0.00 O ATOM 287 CB TRP A 43 -2.785 -5.566 -3.182 1.00 0.00 C ATOM 288 CG TRP A 43 -3.677 -4.442 -3.617 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.714 -4.515 -4.503 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.607 -3.077 -3.191 1.00 0.00 C ATOM 291 NE1 TRP A 43 -5.293 -3.277 -4.653 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.630 -2.379 -3.858 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.777 -2.377 -2.309 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.846 -1.016 -3.671 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.993 -1.024 -2.124 1.00 0.00 C ATOM 296 CH2 TRP A 43 -4.021 -0.356 -2.802 1.00 0.00 C ATOM 0 H TRP A 43 -0.995 -7.200 -2.699 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.073 -6.300 -5.076 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.385 -6.467 -3.050 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.355 -5.324 -2.210 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.032 -5.413 -5.011 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.086 -3.062 -5.257 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.982 -2.884 -1.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.637 -0.498 -4.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.359 -0.473 -1.446 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.165 0.701 -2.635 1.00 0.00 H new ATOM 307 N CYS A 44 -0.064 -4.085 -3.691 1.00 0.00 N ATOM 308 CA CYS A 44 0.668 -2.849 -3.945 1.00 0.00 C ATOM 309 C CYS A 44 1.478 -2.950 -5.233 1.00 0.00 C ATOM 310 O CYS A 44 1.200 -2.251 -6.203 1.00 0.00 O ATOM 311 CB CYS A 44 1.595 -2.527 -2.772 1.00 0.00 C ATOM 312 SG CYS A 44 2.534 -0.995 -2.968 1.00 0.00 S ATOM 0 H CYS A 44 0.168 -4.539 -2.808 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.059 -2.045 -4.055 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.000 -2.461 -1.861 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.293 -3.353 -2.638 1.00 0.00 H new ATOM 0 HG CYS A 44 3.476 -0.946 -2.073 1.00 0.00 H new ATOM 318 N ILE A 45 2.475 -3.828 -5.227 1.00 0.00 N ATOM 319 CA ILE A 45 3.340 -4.038 -6.385 1.00 0.00 C ATOM 320 C ILE A 45 2.533 -4.270 -7.662 1.00 0.00 C ATOM 321 O ILE A 45 2.937 -3.852 -8.747 1.00 0.00 O ATOM 322 CB ILE A 45 4.275 -5.245 -6.157 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.182 -4.995 -4.949 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.101 -5.529 -7.401 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.054 -6.180 -4.588 1.00 0.00 C ATOM 0 H ILE A 45 2.707 -4.412 -4.424 1.00 0.00 H new ATOM 0 HA ILE A 45 3.931 -3.130 -6.506 1.00 0.00 H new ATOM 0 HB ILE A 45 3.662 -6.122 -5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.820 -4.135 -5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.564 -4.734 -4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.753 -6.383 -7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.437 -5.752 -8.236 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.707 -4.656 -7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.669 -5.929 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.423 -7.036 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.698 -6.428 -5.432 1.00 0.00 H new ATOM 337 N SER A 46 1.391 -4.934 -7.523 1.00 0.00 N ATOM 338 CA SER A 46 0.532 -5.242 -8.666 1.00 0.00 C ATOM 339 C SER A 46 0.055 -3.979 -9.381 1.00 0.00 C ATOM 340 O SER A 46 -0.477 -4.054 -10.489 1.00 0.00 O ATOM 341 CB SER A 46 -0.676 -6.064 -8.212 1.00 0.00 C ATOM 342 OG SER A 46 -0.273 -7.326 -7.708 1.00 0.00 O ATOM 0 H SER A 46 1.036 -5.271 -6.628 1.00 0.00 H new ATOM 0 HA SER A 46 1.127 -5.821 -9.372 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.222 -5.519 -7.442 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.360 -6.205 -9.049 1.00 0.00 H new ATOM 0 HG SER A 46 0.061 -7.221 -6.793 1.00 0.00 H new ATOM 348 N THR A 47 0.243 -2.822 -8.754 1.00 0.00 N ATOM 349 CA THR A 47 -0.188 -1.561 -9.349 1.00 0.00 C ATOM 350 C THR A 47 0.595 -0.370 -8.800 1.00 0.00 C ATOM 351 O THR A 47 0.179 0.778 -8.965 1.00 0.00 O ATOM 352 CB THR A 47 -1.694 -1.325 -9.108 1.00 0.00 C ATOM 353 OG1 THR A 47 -2.103 -0.088 -9.705 1.00 0.00 O ATOM 354 CG2 THR A 47 -2.010 -1.304 -7.618 1.00 0.00 C ATOM 0 H THR A 47 0.688 -2.731 -7.841 1.00 0.00 H new ATOM 0 HA THR A 47 0.006 -1.641 -10.419 1.00 0.00 H new ATOM 0 HB THR A 47 -2.242 -2.147 -9.568 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.474 0.620 -9.454 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.077 -1.136 -7.475 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.730 -2.259 -7.173 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.449 -0.502 -7.138 1.00 0.00 H new ATOM 362 N LEU A 48 1.732 -0.631 -8.161 1.00 0.00 N ATOM 363 CA LEU A 48 2.535 0.450 -7.595 1.00 0.00 C ATOM 364 C LEU A 48 3.567 0.953 -8.602 1.00 0.00 C ATOM 365 O LEU A 48 3.431 2.050 -9.144 1.00 0.00 O ATOM 366 CB LEU A 48 3.243 -0.038 -6.321 1.00 0.00 C ATOM 367 CG LEU A 48 3.779 1.051 -5.380 1.00 0.00 C ATOM 368 CD1 LEU A 48 4.879 1.865 -6.045 1.00 0.00 C ATOM 369 CD2 LEU A 48 2.655 1.959 -4.908 1.00 0.00 C ATOM 0 H LEU A 48 2.114 -1.567 -8.023 1.00 0.00 H new ATOM 0 HA LEU A 48 1.869 1.277 -7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.547 -0.662 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.076 -0.676 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 48 4.209 0.553 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.237 2.627 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.704 1.207 -6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.485 2.345 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.059 2.722 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.188 2.438 -5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.911 1.369 -4.373 1.00 0.00 H new ATOM 381 N GLU A 49 4.596 0.149 -8.849 1.00 0.00 N ATOM 382 CA GLU A 49 5.645 0.523 -9.792 1.00 0.00 C ATOM 383 C GLU A 49 6.164 -0.687 -10.559 1.00 0.00 C ATOM 384 O GLU A 49 5.900 -0.851 -11.751 1.00 0.00 O ATOM 385 CB GLU A 49 6.801 1.206 -9.059 1.00 0.00 C ATOM 386 CG GLU A 49 7.899 1.701 -9.985 1.00 0.00 C ATOM 387 CD GLU A 49 9.028 2.384 -9.238 1.00 0.00 C ATOM 388 OE1 GLU A 49 9.984 1.687 -8.839 1.00 0.00 O ATOM 389 OE2 GLU A 49 8.957 3.617 -9.054 1.00 0.00 O ATOM 0 H GLU A 49 4.726 -0.763 -8.411 1.00 0.00 H new ATOM 0 HA GLU A 49 5.210 1.219 -10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.411 2.049 -8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.230 0.506 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.299 0.859 -10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.473 2.397 -10.708 1.00 0.00 H new ATOM 396 N VAL A 50 6.912 -1.528 -9.852 1.00 0.00 N ATOM 397 CA VAL A 50 7.507 -2.725 -10.435 1.00 0.00 C ATOM 398 C VAL A 50 6.604 -3.941 -10.263 1.00 0.00 C ATOM 399 O VAL A 50 5.473 -3.827 -9.791 1.00 0.00 O ATOM 400 CB VAL A 50 8.875 -3.023 -9.786 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.863 -1.905 -10.079 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.719 -3.224 -8.283 1.00 0.00 C ATOM 0 H VAL A 50 7.122 -1.400 -8.862 1.00 0.00 H new ATOM 0 HA VAL A 50 7.637 -2.531 -11.500 1.00 0.00 H new ATOM 0 HB VAL A 50 9.267 -3.944 -10.217 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.821 -2.135 -9.613 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.997 -1.811 -11.157 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.480 -0.967 -9.678 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.693 -3.433 -7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.304 -2.320 -7.836 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.048 -4.062 -8.096 1.00 0.00 H new ATOM 412 N GLU A 51 7.114 -5.100 -10.664 1.00 0.00 N ATOM 413 CA GLU A 51 6.380 -6.354 -10.542 1.00 0.00 C ATOM 414 C GLU A 51 6.983 -7.183 -9.413 1.00 0.00 C ATOM 415 O GLU A 51 7.845 -6.693 -8.684 1.00 0.00 O ATOM 416 CB GLU A 51 6.428 -7.132 -11.859 1.00 0.00 C ATOM 417 CG GLU A 51 7.835 -7.328 -12.400 1.00 0.00 C ATOM 418 CD GLU A 51 7.853 -8.047 -13.735 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.752 -7.367 -14.777 1.00 0.00 O ATOM 420 OE2 GLU A 51 7.969 -9.291 -13.738 1.00 0.00 O ATOM 0 H GLU A 51 8.040 -5.197 -11.080 1.00 0.00 H new ATOM 0 HA GLU A 51 5.336 -6.139 -10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.965 -8.108 -11.712 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.831 -6.606 -12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.317 -6.356 -12.509 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.422 -7.896 -11.678 1.00 0.00 H new ATOM 427 N GLU A 52 6.536 -8.425 -9.252 1.00 0.00 N ATOM 428 CA GLU A 52 7.078 -9.267 -8.193 1.00 0.00 C ATOM 429 C GLU A 52 8.435 -9.827 -8.607 1.00 0.00 C ATOM 430 O GLU A 52 8.573 -11.016 -8.900 1.00 0.00 O ATOM 431 CB GLU A 52 6.114 -10.411 -7.871 1.00 0.00 C ATOM 432 CG GLU A 52 4.754 -9.945 -7.380 1.00 0.00 C ATOM 433 CD GLU A 52 3.774 -11.090 -7.206 1.00 0.00 C ATOM 434 OE1 GLU A 52 3.781 -11.719 -6.128 1.00 0.00 O ATOM 435 OE2 GLU A 52 3.000 -11.356 -8.149 1.00 0.00 O ATOM 0 H GLU A 52 5.816 -8.862 -9.827 1.00 0.00 H new ATOM 0 HA GLU A 52 7.205 -8.657 -7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.978 -11.022 -8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.564 -11.051 -7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.873 -9.426 -6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.344 -9.224 -8.087 1.00 0.00 H new ATOM 442 N THR A 53 9.432 -8.948 -8.634 1.00 0.00 N ATOM 443 CA THR A 53 10.793 -9.321 -8.995 1.00 0.00 C ATOM 444 C THR A 53 11.800 -8.518 -8.179 1.00 0.00 C ATOM 445 O THR A 53 12.725 -9.067 -7.582 1.00 0.00 O ATOM 446 CB THR A 53 11.064 -9.086 -10.494 1.00 0.00 C ATOM 447 OG1 THR A 53 10.926 -7.693 -10.803 1.00 0.00 O ATOM 448 CG2 THR A 53 10.106 -9.897 -11.354 1.00 0.00 C ATOM 0 H THR A 53 9.319 -7.960 -8.407 1.00 0.00 H new ATOM 0 HA THR A 53 10.904 -10.384 -8.780 1.00 0.00 H new ATOM 0 HB THR A 53 12.082 -9.409 -10.711 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.101 -7.551 -11.757 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.318 -9.713 -12.407 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.232 -10.958 -11.138 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.080 -9.602 -11.134 1.00 0.00 H new ATOM 456 N ASP A 54 11.593 -7.205 -8.172 1.00 0.00 N ATOM 457 CA ASP A 54 12.457 -6.273 -7.460 1.00 0.00 C ATOM 458 C ASP A 54 12.469 -6.559 -5.958 1.00 0.00 C ATOM 459 O ASP A 54 11.509 -7.108 -5.419 1.00 0.00 O ATOM 460 CB ASP A 54 11.966 -4.848 -7.720 1.00 0.00 C ATOM 461 CG ASP A 54 13.048 -3.950 -8.288 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.387 -4.108 -9.480 1.00 0.00 O ATOM 463 OD2 ASP A 54 13.554 -3.084 -7.543 1.00 0.00 O ATOM 0 H ASP A 54 10.819 -6.757 -8.662 1.00 0.00 H new ATOM 0 HA ASP A 54 13.477 -6.391 -7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.125 -4.879 -8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.596 -4.420 -6.788 1.00 0.00 H new ATOM 468 N PRO A 55 13.563 -6.187 -5.260 1.00 0.00 N ATOM 469 CA PRO A 55 13.683 -6.400 -3.814 1.00 0.00 C ATOM 470 C PRO A 55 12.647 -5.602 -3.030 1.00 0.00 C ATOM 471 O PRO A 55 12.551 -5.726 -1.809 1.00 0.00 O ATOM 472 CB PRO A 55 15.098 -5.911 -3.485 1.00 0.00 C ATOM 473 CG PRO A 55 15.458 -4.995 -4.603 1.00 0.00 C ATOM 474 CD PRO A 55 14.764 -5.538 -5.819 1.00 0.00 C ATOM 0 HA PRO A 55 13.512 -7.442 -3.543 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.124 -5.393 -2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.798 -6.744 -3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 55 15.136 -3.975 -4.392 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.538 -4.964 -4.750 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.504 -4.746 -6.521 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.392 -6.248 -6.357 1.00 0.00 H new ATOM 482 N LEU A 56 11.881 -4.780 -3.743 1.00 0.00 N ATOM 483 CA LEU A 56 10.841 -3.963 -3.125 1.00 0.00 C ATOM 484 C LEU A 56 9.947 -4.823 -2.240 1.00 0.00 C ATOM 485 O LEU A 56 9.512 -4.395 -1.170 1.00 0.00 O ATOM 486 CB LEU A 56 10.000 -3.279 -4.205 1.00 0.00 C ATOM 487 CG LEU A 56 8.878 -2.374 -3.689 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.427 -1.012 -3.293 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.789 -2.227 -4.740 1.00 0.00 C ATOM 0 H LEU A 56 11.962 -4.662 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 56 11.318 -3.201 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.662 -2.685 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.560 -4.048 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 56 8.442 -2.837 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.614 -0.384 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.171 -1.134 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.890 -0.540 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.999 -1.581 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.212 -1.787 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.374 -3.208 -4.974 1.00 0.00 H new ATOM 501 N CYS A 57 9.679 -6.040 -2.700 1.00 0.00 N ATOM 502 CA CYS A 57 8.843 -6.976 -1.958 1.00 0.00 C ATOM 503 C CYS A 57 9.513 -7.389 -0.651 1.00 0.00 C ATOM 504 O CYS A 57 8.853 -7.533 0.377 1.00 0.00 O ATOM 505 CB CYS A 57 8.555 -8.215 -2.808 1.00 0.00 C ATOM 506 SG CYS A 57 7.618 -9.500 -1.948 1.00 0.00 S ATOM 0 H CYS A 57 10.030 -6.402 -3.587 1.00 0.00 H new ATOM 0 HA CYS A 57 7.904 -6.476 -1.721 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.003 -7.912 -3.697 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.501 -8.637 -3.148 1.00 0.00 H new ATOM 0 HG CYS A 57 7.705 -9.315 -0.664 1.00 0.00 H new ATOM 512 N GLN A 58 10.828 -7.578 -0.700 1.00 0.00 N ATOM 513 CA GLN A 58 11.589 -7.979 0.478 1.00 0.00 C ATOM 514 C GLN A 58 11.716 -6.823 1.467 1.00 0.00 C ATOM 515 O GLN A 58 11.800 -7.037 2.678 1.00 0.00 O ATOM 516 CB GLN A 58 12.979 -8.475 0.071 1.00 0.00 C ATOM 517 CG GLN A 58 13.775 -9.070 1.221 1.00 0.00 C ATOM 518 CD GLN A 58 15.155 -9.533 0.796 1.00 0.00 C ATOM 519 OE1 GLN A 58 15.753 -8.978 -0.125 1.00 0.00 O ATOM 520 NE2 GLN A 58 15.667 -10.558 1.467 1.00 0.00 N ATOM 0 H GLN A 58 11.389 -7.460 -1.544 1.00 0.00 H new ATOM 0 HA GLN A 58 11.051 -8.791 0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.873 -9.225 -0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.541 -7.645 -0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.873 -8.328 2.013 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.226 -9.913 1.640 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.136 -10.988 2.224 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.591 -10.915 1.225 1.00 0.00 H new ATOM 529 N ARG A 59 11.733 -5.601 0.946 1.00 0.00 N ATOM 530 CA ARG A 59 11.847 -4.414 1.786 1.00 0.00 C ATOM 531 C ARG A 59 10.613 -4.262 2.668 1.00 0.00 C ATOM 532 O ARG A 59 10.722 -4.012 3.869 1.00 0.00 O ATOM 533 CB ARG A 59 12.031 -3.163 0.923 1.00 0.00 C ATOM 534 CG ARG A 59 13.313 -3.167 0.103 1.00 0.00 C ATOM 535 CD ARG A 59 14.546 -3.209 0.993 1.00 0.00 C ATOM 536 NE ARG A 59 15.785 -3.137 0.222 1.00 0.00 N ATOM 537 CZ ARG A 59 16.975 -3.482 0.703 1.00 0.00 C ATOM 538 NH1 ARG A 59 17.087 -3.932 1.946 1.00 0.00 N ATOM 539 NH2 ARG A 59 18.055 -3.379 -0.057 1.00 0.00 N ATOM 0 H ARG A 59 11.669 -5.406 -0.053 1.00 0.00 H new ATOM 0 HA ARG A 59 12.722 -4.532 2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.180 -3.069 0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.025 -2.284 1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.316 -4.028 -0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.347 -2.277 -0.525 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.511 -2.380 1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.538 -4.128 1.579 1.00 0.00 H new ATOM 0 HE ARG A 59 15.734 -2.803 -0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.259 -4.014 2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.002 -4.196 2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.974 -3.034 -1.014 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.967 -3.644 0.314 1.00 0.00 H new ATOM 553 N LEU A 60 9.441 -4.414 2.060 1.00 0.00 N ATOM 554 CA LEU A 60 8.182 -4.302 2.787 1.00 0.00 C ATOM 555 C LEU A 60 7.951 -5.538 3.650 1.00 0.00 C ATOM 556 O LEU A 60 7.266 -5.477 4.671 1.00 0.00 O ATOM 557 CB LEU A 60 7.019 -4.122 1.808 1.00 0.00 C ATOM 558 CG LEU A 60 7.122 -2.900 0.891 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.003 -2.911 -0.138 1.00 0.00 C ATOM 560 CD2 LEU A 60 7.084 -1.615 1.706 1.00 0.00 C ATOM 0 H LEU A 60 9.337 -4.615 1.065 1.00 0.00 H new ATOM 0 HA LEU A 60 8.236 -3.428 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.945 -5.016 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.093 -4.051 2.378 1.00 0.00 H new ATOM 0 HG LEU A 60 8.075 -2.945 0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.092 -2.035 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.074 -3.815 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.040 -2.891 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.158 -0.758 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.147 -1.563 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.920 -1.603 2.406 1.00 0.00 H new ATOM 572 N ARG A 61 8.528 -6.660 3.226 1.00 0.00 N ATOM 573 CA ARG A 61 8.393 -7.917 3.956 1.00 0.00 C ATOM 574 C ARG A 61 9.029 -7.825 5.340 1.00 0.00 C ATOM 575 O ARG A 61 8.444 -8.265 6.330 1.00 0.00 O ATOM 576 CB ARG A 61 9.025 -9.060 3.156 1.00 0.00 C ATOM 577 CG ARG A 61 8.902 -10.424 3.822 1.00 0.00 C ATOM 578 CD ARG A 61 10.110 -10.738 4.690 1.00 0.00 C ATOM 579 NE ARG A 61 10.000 -12.046 5.328 1.00 0.00 N ATOM 580 CZ ARG A 61 11.017 -12.668 5.916 1.00 0.00 C ATOM 581 NH1 ARG A 61 12.217 -12.104 5.945 1.00 0.00 N ATOM 582 NH2 ARG A 61 10.836 -13.857 6.475 1.00 0.00 N ATOM 0 H ARG A 61 9.094 -6.724 2.380 1.00 0.00 H new ATOM 0 HA ARG A 61 7.330 -8.119 4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.557 -9.104 2.173 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.080 -8.838 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.999 -10.451 4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.793 -11.194 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.013 -10.707 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.216 -9.969 5.455 1.00 0.00 H new ATOM 0 HE ARG A 61 9.091 -12.509 5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.362 -11.190 5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.995 -12.584 6.397 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.915 -14.296 6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.617 -14.333 6.926 1.00 0.00 H new ATOM 596 N GLU A 62 10.231 -7.256 5.406 1.00 0.00 N ATOM 597 CA GLU A 62 10.939 -7.115 6.675 1.00 0.00 C ATOM 598 C GLU A 62 10.094 -6.348 7.684 1.00 0.00 C ATOM 599 O GLU A 62 9.708 -6.888 8.721 1.00 0.00 O ATOM 600 CB GLU A 62 12.277 -6.404 6.464 1.00 0.00 C ATOM 601 CG GLU A 62 13.091 -6.247 7.739 1.00 0.00 C ATOM 602 CD GLU A 62 14.417 -5.551 7.504 1.00 0.00 C ATOM 603 OE1 GLU A 62 14.454 -4.304 7.578 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.418 -6.252 7.247 1.00 0.00 O ATOM 0 H GLU A 62 10.733 -6.887 4.598 1.00 0.00 H new ATOM 0 HA GLU A 62 11.128 -8.113 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.864 -6.962 5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.092 -5.418 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.512 -5.680 8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.273 -7.230 8.172 1.00 0.00 H new ATOM 611 N ASN A 63 9.811 -5.091 7.375 1.00 0.00 N ATOM 612 CA ASN A 63 9.001 -4.260 8.254 1.00 0.00 C ATOM 613 C ASN A 63 7.523 -4.569 8.064 1.00 0.00 C ATOM 614 O ASN A 63 6.864 -3.984 7.209 1.00 0.00 O ATOM 615 CB ASN A 63 9.264 -2.776 7.990 1.00 0.00 C ATOM 616 CG ASN A 63 10.674 -2.361 8.365 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.287 -2.942 9.262 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.194 -1.349 7.682 1.00 0.00 N ATOM 0 H ASN A 63 10.129 -4.625 6.525 1.00 0.00 H new ATOM 0 HA ASN A 63 9.279 -4.484 9.284 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.094 -2.562 6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.550 -2.177 8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.138 -1.023 7.892 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.650 -0.897 6.947 1.00 0.00 H new ATOM 625 N ASP A 64 7.018 -5.515 8.849 1.00 0.00 N ATOM 626 CA ASP A 64 5.614 -5.901 8.772 1.00 0.00 C ATOM 627 C ASP A 64 4.704 -4.686 8.938 1.00 0.00 C ATOM 628 O ASP A 64 4.453 -4.238 10.057 1.00 0.00 O ATOM 629 CB ASP A 64 5.290 -6.941 9.846 1.00 0.00 C ATOM 630 CG ASP A 64 6.228 -8.132 9.800 1.00 0.00 C ATOM 631 OD1 ASP A 64 5.927 -9.097 9.066 1.00 0.00 O ATOM 632 OD2 ASP A 64 7.262 -8.099 10.498 1.00 0.00 O ATOM 0 H ASP A 64 7.559 -6.028 9.545 1.00 0.00 H new ATOM 0 HA ASP A 64 5.437 -6.335 7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.348 -6.474 10.829 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.264 -7.285 9.717 1.00 0.00 H new ATOM 637 N ILE A 65 4.219 -4.154 7.819 1.00 0.00 N ATOM 638 CA ILE A 65 3.337 -2.993 7.848 1.00 0.00 C ATOM 639 C ILE A 65 1.878 -3.411 7.694 1.00 0.00 C ATOM 640 O ILE A 65 1.436 -3.761 6.599 1.00 0.00 O ATOM 641 CB ILE A 65 3.680 -1.977 6.735 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.117 -1.467 6.881 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.700 -0.812 6.758 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.400 -0.798 8.211 1.00 0.00 C ATOM 0 H ILE A 65 4.422 -4.508 6.884 1.00 0.00 H new ATOM 0 HA ILE A 65 3.486 -2.517 8.817 1.00 0.00 H new ATOM 0 HB ILE A 65 3.596 -2.486 5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.804 -2.304 6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.324 -0.759 6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.956 -0.106 5.968 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.688 -1.184 6.598 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.754 -0.310 7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.437 -0.465 8.237 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.740 0.060 8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.227 -1.508 9.020 1.00 0.00 H new ATOM 656 N VAL A 66 1.138 -3.376 8.796 1.00 0.00 N ATOM 657 CA VAL A 66 -0.273 -3.740 8.776 1.00 0.00 C ATOM 658 C VAL A 66 -1.081 -2.688 8.021 1.00 0.00 C ATOM 659 O VAL A 66 -0.594 -1.585 7.770 1.00 0.00 O ATOM 660 CB VAL A 66 -0.828 -3.891 10.209 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.808 -2.556 10.935 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.232 -4.477 10.192 1.00 0.00 C ATOM 0 H VAL A 66 1.491 -3.100 9.712 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.364 -4.699 8.266 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.183 -4.584 10.750 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.203 -2.684 11.943 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.216 -2.187 10.991 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.423 -1.838 10.393 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.599 -4.573 11.214 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.894 -3.819 9.629 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.210 -5.460 9.721 1.00 0.00 H new ATOM 672 N GLY A 67 -2.309 -3.036 7.654 1.00 0.00 N ATOM 673 CA GLY A 67 -3.160 -2.105 6.934 1.00 0.00 C ATOM 674 C GLY A 67 -3.394 -0.819 7.704 1.00 0.00 C ATOM 675 O GLY A 67 -3.453 0.262 7.118 1.00 0.00 O ATOM 0 H GLY A 67 -2.731 -3.945 7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.705 -1.871 5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.119 -2.580 6.726 1.00 0.00 H new ATOM 679 N ASP A 68 -3.529 -0.938 9.022 1.00 0.00 N ATOM 680 CA ASP A 68 -3.759 0.221 9.878 1.00 0.00 C ATOM 681 C ASP A 68 -2.465 1.003 10.103 1.00 0.00 C ATOM 682 O ASP A 68 -2.467 2.050 10.750 1.00 0.00 O ATOM 683 CB ASP A 68 -4.343 -0.225 11.221 1.00 0.00 C ATOM 684 CG ASP A 68 -4.722 0.944 12.109 1.00 0.00 C ATOM 685 OD1 ASP A 68 -5.820 1.507 11.916 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.919 1.298 12.999 1.00 0.00 O ATOM 0 H ASP A 68 -3.483 -1.827 9.521 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.471 0.877 9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.224 -0.842 11.043 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.616 -0.850 11.740 1.00 0.00 H new ATOM 691 N LEU A 69 -1.365 0.490 9.562 1.00 0.00 N ATOM 692 CA LEU A 69 -0.066 1.137 9.711 1.00 0.00 C ATOM 693 C LEU A 69 0.380 1.792 8.405 1.00 0.00 C ATOM 694 O LEU A 69 1.280 2.631 8.398 1.00 0.00 O ATOM 695 CB LEU A 69 0.979 0.115 10.172 1.00 0.00 C ATOM 696 CG LEU A 69 2.375 0.674 10.452 1.00 0.00 C ATOM 697 CD1 LEU A 69 2.324 1.742 11.534 1.00 0.00 C ATOM 698 CD2 LEU A 69 3.324 -0.446 10.854 1.00 0.00 C ATOM 0 H LEU A 69 -1.347 -0.372 9.016 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.162 1.919 10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.613 -0.368 11.078 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.064 -0.659 9.410 1.00 0.00 H new ATOM 0 HG LEU A 69 2.748 1.135 9.537 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.328 2.124 11.716 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.678 2.558 11.210 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.929 1.310 12.453 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.313 -0.032 11.050 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.950 -0.934 11.754 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.389 -1.175 10.046 1.00 0.00 H new ATOM 710 N LEU A 70 -0.255 1.408 7.299 1.00 0.00 N ATOM 711 CA LEU A 70 0.085 1.965 5.992 1.00 0.00 C ATOM 712 C LEU A 70 -0.117 3.485 5.959 1.00 0.00 C ATOM 713 O LEU A 70 0.796 4.221 5.584 1.00 0.00 O ATOM 714 CB LEU A 70 -0.739 1.297 4.884 1.00 0.00 C ATOM 715 CG LEU A 70 -0.303 -0.122 4.509 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.310 -0.753 3.561 1.00 0.00 C ATOM 717 CD2 LEU A 70 1.079 -0.104 3.874 1.00 0.00 C ATOM 0 H LEU A 70 -1.005 0.716 7.282 1.00 0.00 H new ATOM 0 HA LEU A 70 1.141 1.761 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.783 1.268 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.692 1.922 3.992 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.259 -0.720 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.986 -1.761 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.286 -0.798 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.382 -0.153 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.373 -1.121 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.058 0.509 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.798 0.312 4.579 1.00 0.00 H new ATOM 729 N PRO A 71 -1.312 3.987 6.348 1.00 0.00 N ATOM 730 CA PRO A 71 -1.592 5.423 6.346 1.00 0.00 C ATOM 731 C PRO A 71 -1.024 6.129 7.573 1.00 0.00 C ATOM 732 O PRO A 71 -0.794 7.339 7.554 1.00 0.00 O ATOM 733 CB PRO A 71 -3.117 5.476 6.359 1.00 0.00 C ATOM 734 CG PRO A 71 -3.526 4.252 7.101 1.00 0.00 C ATOM 735 CD PRO A 71 -2.479 3.205 6.814 1.00 0.00 C ATOM 0 HA PRO A 71 -1.137 5.929 5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.479 6.378 6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.523 5.481 5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.592 4.451 8.171 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.511 3.914 6.778 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.241 2.624 7.705 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.817 2.500 6.054 1.00 0.00 H new ATOM 743 N GLU A 72 -0.798 5.365 8.636 1.00 0.00 N ATOM 744 CA GLU A 72 -0.259 5.916 9.874 1.00 0.00 C ATOM 745 C GLU A 72 1.161 6.432 9.663 1.00 0.00 C ATOM 746 O GLU A 72 1.657 7.250 10.439 1.00 0.00 O ATOM 747 CB GLU A 72 -0.271 4.854 10.975 1.00 0.00 C ATOM 748 CG GLU A 72 0.037 5.404 12.359 1.00 0.00 C ATOM 749 CD GLU A 72 -0.979 6.436 12.813 1.00 0.00 C ATOM 750 OE1 GLU A 72 -2.000 6.037 13.411 1.00 0.00 O ATOM 751 OE2 GLU A 72 -0.750 7.639 12.573 1.00 0.00 O ATOM 0 H GLU A 72 -0.980 4.362 8.665 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.889 6.752 10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.250 4.374 10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.458 4.082 10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.061 4.583 13.076 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.030 5.853 12.355 1.00 0.00 H new ATOM 758 N LEU A 73 1.807 5.950 8.607 1.00 0.00 N ATOM 759 CA LEU A 73 3.170 6.358 8.290 1.00 0.00 C ATOM 760 C LEU A 73 3.176 7.525 7.307 1.00 0.00 C ATOM 761 O LEU A 73 2.238 7.698 6.529 1.00 0.00 O ATOM 762 CB LEU A 73 3.952 5.178 7.707 1.00 0.00 C ATOM 763 CG LEU A 73 4.160 4.000 8.661 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.748 2.810 7.920 1.00 0.00 C ATOM 765 CD2 LEU A 73 5.061 4.405 9.819 1.00 0.00 C ATOM 0 H LEU A 73 1.407 5.275 7.955 1.00 0.00 H new ATOM 0 HA LEU A 73 3.650 6.685 9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.430 4.819 6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.928 5.536 7.379 1.00 0.00 H new ATOM 0 HG LEU A 73 3.190 3.709 9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.889 1.982 8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.068 2.505 7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.709 3.089 7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.198 3.555 10.488 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.029 4.723 9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.601 5.227 10.367 1.00 0.00 H new ATOM 777 N CYS A 74 4.240 8.320 7.350 1.00 0.00 N ATOM 778 CA CYS A 74 4.374 9.469 6.463 1.00 0.00 C ATOM 779 C CYS A 74 5.319 9.157 5.307 1.00 0.00 C ATOM 780 O CYS A 74 5.794 8.031 5.167 1.00 0.00 O ATOM 781 CB CYS A 74 4.881 10.686 7.242 1.00 0.00 C ATOM 782 SG CYS A 74 6.438 10.403 8.118 1.00 0.00 S ATOM 0 H CYS A 74 5.023 8.189 7.991 1.00 0.00 H new ATOM 0 HA CYS A 74 3.391 9.696 6.051 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.011 11.519 6.551 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.120 10.986 7.962 1.00 0.00 H new ATOM 0 HG CYS A 74 6.654 9.125 8.218 1.00 0.00 H new ATOM 788 N LEU A 75 5.587 10.164 4.481 1.00 0.00 N ATOM 789 CA LEU A 75 6.471 10.001 3.331 1.00 0.00 C ATOM 790 C LEU A 75 7.916 9.786 3.770 1.00 0.00 C ATOM 791 O LEU A 75 8.776 9.450 2.957 1.00 0.00 O ATOM 792 CB LEU A 75 6.384 11.225 2.411 1.00 0.00 C ATOM 793 CG LEU A 75 5.165 11.270 1.482 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.164 10.077 0.539 1.00 0.00 C ATOM 795 CD2 LEU A 75 3.875 11.318 2.288 1.00 0.00 C ATOM 0 H LEU A 75 5.204 11.103 4.587 1.00 0.00 H new ATOM 0 HA LEU A 75 6.143 9.117 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.380 12.123 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.286 11.263 1.800 1.00 0.00 H new ATOM 0 HG LEU A 75 5.227 12.179 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.291 10.128 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.070 10.092 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.131 9.155 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.023 11.349 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.806 10.430 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.871 12.209 2.916 1.00 0.00 H new ATOM 807 N GLN A 76 8.178 9.980 5.059 1.00 0.00 N ATOM 808 CA GLN A 76 9.523 9.808 5.600 1.00 0.00 C ATOM 809 C GLN A 76 9.846 8.330 5.798 1.00 0.00 C ATOM 810 O GLN A 76 10.910 7.859 5.394 1.00 0.00 O ATOM 811 CB GLN A 76 9.660 10.559 6.927 1.00 0.00 C ATOM 812 CG GLN A 76 11.080 10.589 7.474 1.00 0.00 C ATOM 813 CD GLN A 76 11.486 9.289 8.146 1.00 0.00 C ATOM 814 OE1 GLN A 76 12.657 8.907 8.124 1.00 0.00 O ATOM 815 NE2 GLN A 76 10.522 8.604 8.749 1.00 0.00 N ATOM 0 H GLN A 76 7.478 10.256 5.748 1.00 0.00 H new ATOM 0 HA GLN A 76 10.233 10.221 4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.311 11.583 6.792 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.006 10.095 7.665 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.772 10.802 6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.170 11.405 8.191 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.565 8.957 8.743 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.738 7.725 9.218 1.00 0.00 H new ATOM 824 N ASP A 77 8.924 7.604 6.422 1.00 0.00 N ATOM 825 CA ASP A 77 9.114 6.180 6.679 1.00 0.00 C ATOM 826 C ASP A 77 9.067 5.373 5.386 1.00 0.00 C ATOM 827 O ASP A 77 9.563 4.249 5.328 1.00 0.00 O ATOM 828 CB ASP A 77 8.048 5.669 7.651 1.00 0.00 C ATOM 829 CG ASP A 77 8.152 6.318 9.017 1.00 0.00 C ATOM 830 OD1 ASP A 77 8.875 5.774 9.879 1.00 0.00 O ATOM 831 OD2 ASP A 77 7.511 7.370 9.225 1.00 0.00 O ATOM 0 H ASP A 77 8.037 7.978 6.759 1.00 0.00 H new ATOM 0 HA ASP A 77 10.100 6.051 7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.059 5.861 7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.145 4.588 7.757 1.00 0.00 H new ATOM 836 N CYS A 78 8.466 5.952 4.350 1.00 0.00 N ATOM 837 CA CYS A 78 8.355 5.283 3.058 1.00 0.00 C ATOM 838 C CYS A 78 9.552 5.603 2.169 1.00 0.00 C ATOM 839 O CYS A 78 10.052 4.736 1.453 1.00 0.00 O ATOM 840 CB CYS A 78 7.059 5.699 2.361 1.00 0.00 C ATOM 841 SG CYS A 78 5.561 5.287 3.287 1.00 0.00 S ATOM 0 H CYS A 78 8.049 6.882 4.380 1.00 0.00 H new ATOM 0 HA CYS A 78 8.340 4.207 3.233 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.082 6.775 2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.014 5.218 1.384 1.00 0.00 H new ATOM 0 HG CYS A 78 4.905 4.356 2.660 1.00 0.00 H new ATOM 847 N GLN A 79 10.007 6.853 2.214 1.00 0.00 N ATOM 848 CA GLN A 79 11.150 7.271 1.410 1.00 0.00 C ATOM 849 C GLN A 79 12.398 6.498 1.824 1.00 0.00 C ATOM 850 O GLN A 79 13.239 6.164 0.989 1.00 0.00 O ATOM 851 CB GLN A 79 11.390 8.776 1.551 1.00 0.00 C ATOM 852 CG GLN A 79 12.330 9.336 0.494 1.00 0.00 C ATOM 853 CD GLN A 79 12.676 10.801 0.711 1.00 0.00 C ATOM 854 OE1 GLN A 79 13.782 11.238 0.395 1.00 0.00 O ATOM 855 NE2 GLN A 79 11.732 11.573 1.241 1.00 0.00 N ATOM 0 H GLN A 79 9.604 7.589 2.795 1.00 0.00 H new ATOM 0 HA GLN A 79 10.931 7.054 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.434 9.297 1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.802 8.980 2.539 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.249 8.750 0.488 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.872 9.220 -0.488 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.827 11.174 1.490 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.913 12.564 1.398 1.00 0.00 H new ATOM 864 N ASP A 80 12.509 6.221 3.121 1.00 0.00 N ATOM 865 CA ASP A 80 13.641 5.471 3.648 1.00 0.00 C ATOM 866 C ASP A 80 13.602 4.039 3.128 1.00 0.00 C ATOM 867 O ASP A 80 14.635 3.388 2.975 1.00 0.00 O ATOM 868 CB ASP A 80 13.611 5.469 5.177 1.00 0.00 C ATOM 869 CG ASP A 80 14.779 4.709 5.779 1.00 0.00 C ATOM 870 OD1 ASP A 80 15.881 5.291 5.871 1.00 0.00 O ATOM 871 OD2 ASP A 80 14.593 3.533 6.155 1.00 0.00 O ATOM 0 H ASP A 80 11.828 6.506 3.825 1.00 0.00 H new ATOM 0 HA ASP A 80 14.563 5.948 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.625 6.497 5.539 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.677 5.023 5.519 1.00 0.00 H new ATOM 876 N LEU A 81 12.391 3.565 2.860 1.00 0.00 N ATOM 877 CA LEU A 81 12.182 2.216 2.351 1.00 0.00 C ATOM 878 C LEU A 81 12.593 2.123 0.888 1.00 0.00 C ATOM 879 O LEU A 81 12.728 1.032 0.335 1.00 0.00 O ATOM 880 CB LEU A 81 10.715 1.823 2.523 1.00 0.00 C ATOM 881 CG LEU A 81 10.286 1.577 3.968 1.00 0.00 C ATOM 882 CD1 LEU A 81 8.775 1.473 4.071 1.00 0.00 C ATOM 883 CD2 LEU A 81 10.950 0.321 4.509 1.00 0.00 C ATOM 0 H LEU A 81 11.533 4.101 2.988 1.00 0.00 H new ATOM 0 HA LEU A 81 12.804 1.524 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.090 2.611 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.524 0.920 1.943 1.00 0.00 H new ATOM 0 HG LEU A 81 10.607 2.425 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.492 1.298 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.322 2.401 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.424 0.645 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.635 0.158 5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.659 -0.535 3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.033 0.438 4.475 1.00 0.00 H new ATOM 895 N CYS A 82 12.787 3.281 0.268 1.00 0.00 N ATOM 896 CA CYS A 82 13.191 3.347 -1.131 1.00 0.00 C ATOM 897 C CYS A 82 14.665 3.727 -1.246 1.00 0.00 C ATOM 898 O CYS A 82 15.241 4.293 -0.317 1.00 0.00 O ATOM 899 CB CYS A 82 12.328 4.362 -1.884 1.00 0.00 C ATOM 900 SG CYS A 82 12.707 4.495 -3.647 1.00 0.00 S ATOM 0 H CYS A 82 12.670 4.191 0.715 1.00 0.00 H new ATOM 0 HA CYS A 82 13.050 2.362 -1.577 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.280 4.087 -1.769 1.00 0.00 H new ATOM 0 HB3 CYS A 82 12.453 5.341 -1.422 1.00 0.00 H new ATOM 0 HG CYS A 82 12.260 5.627 -4.103 1.00 0.00 H new ATOM 906 N ASP A 83 15.271 3.410 -2.387 1.00 0.00 N ATOM 907 CA ASP A 83 16.679 3.717 -2.616 1.00 0.00 C ATOM 908 C ASP A 83 16.928 5.220 -2.548 1.00 0.00 C ATOM 909 O ASP A 83 18.047 5.662 -2.291 1.00 0.00 O ATOM 910 CB ASP A 83 17.126 3.178 -3.976 1.00 0.00 C ATOM 911 CG ASP A 83 18.603 3.409 -4.231 1.00 0.00 C ATOM 912 OD1 ASP A 83 18.954 4.482 -4.763 1.00 0.00 O ATOM 913 OD2 ASP A 83 19.410 2.515 -3.897 1.00 0.00 O ATOM 0 H ASP A 83 14.809 2.941 -3.166 1.00 0.00 H new ATOM 0 HA ASP A 83 17.261 3.234 -1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.913 2.110 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.545 3.658 -4.763 1.00 0.00 H new ATOM 918 N GLY A 84 15.877 5.999 -2.779 1.00 0.00 N ATOM 919 CA GLY A 84 16.003 7.443 -2.740 1.00 0.00 C ATOM 920 C GLY A 84 14.948 8.137 -3.577 1.00 0.00 C ATOM 921 O GLY A 84 14.633 9.305 -3.348 1.00 0.00 O ATOM 0 H GLY A 84 14.940 5.656 -2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.926 7.784 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.992 7.729 -3.097 1.00 0.00 H new ATOM 925 N ASP A 85 14.401 7.416 -4.550 1.00 0.00 N ATOM 926 CA ASP A 85 13.379 7.956 -5.423 1.00 0.00 C ATOM 927 C ASP A 85 12.151 8.384 -4.624 1.00 0.00 C ATOM 928 O ASP A 85 11.390 7.545 -4.144 1.00 0.00 O ATOM 929 CB ASP A 85 12.998 6.903 -6.458 1.00 0.00 C ATOM 930 CG ASP A 85 14.140 6.578 -7.400 1.00 0.00 C ATOM 931 OD1 ASP A 85 14.950 5.689 -7.066 1.00 0.00 O ATOM 932 OD2 ASP A 85 14.224 7.212 -8.474 1.00 0.00 O ATOM 0 H ASP A 85 14.655 6.449 -4.750 1.00 0.00 H new ATOM 0 HA ASP A 85 13.772 8.839 -5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.682 5.993 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.144 7.257 -7.035 1.00 0.00 H new ATOM 937 N LEU A 86 11.972 9.693 -4.483 1.00 0.00 N ATOM 938 CA LEU A 86 10.839 10.234 -3.741 1.00 0.00 C ATOM 939 C LEU A 86 9.527 9.919 -4.451 1.00 0.00 C ATOM 940 O LEU A 86 8.538 9.560 -3.812 1.00 0.00 O ATOM 941 CB LEU A 86 10.989 11.746 -3.569 1.00 0.00 C ATOM 942 CG LEU A 86 9.850 12.428 -2.811 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.846 12.002 -1.350 1.00 0.00 C ATOM 944 CD2 LEU A 86 9.966 13.940 -2.928 1.00 0.00 C ATOM 0 H LEU A 86 12.597 10.399 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 86 10.822 9.765 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.924 11.946 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.072 12.202 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 86 8.905 12.119 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.028 12.499 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.714 10.922 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.793 12.280 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.148 14.411 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.917 14.266 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.916 14.229 -3.978 1.00 0.00 H new ATOM 956 N ASN A 87 9.528 10.058 -5.775 1.00 0.00 N ATOM 957 CA ASN A 87 8.337 9.787 -6.575 1.00 0.00 C ATOM 958 C ASN A 87 7.758 8.417 -6.242 1.00 0.00 C ATOM 959 O ASN A 87 6.547 8.207 -6.317 1.00 0.00 O ATOM 960 CB ASN A 87 8.672 9.864 -8.066 1.00 0.00 C ATOM 961 CG ASN A 87 9.005 11.274 -8.514 1.00 0.00 C ATOM 962 OD1 ASN A 87 10.163 11.692 -8.485 1.00 0.00 O ATOM 963 ND2 ASN A 87 7.986 12.017 -8.932 1.00 0.00 N ATOM 0 H ASN A 87 10.340 10.356 -6.316 1.00 0.00 H new ATOM 0 HA ASN A 87 7.589 10.544 -6.337 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.517 9.209 -8.280 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.826 9.492 -8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.148 12.974 -9.246 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.042 11.630 -8.939 1.00 0.00 H new ATOM 970 N LYS A 88 8.634 7.487 -5.874 1.00 0.00 N ATOM 971 CA LYS A 88 8.218 6.137 -5.518 1.00 0.00 C ATOM 972 C LYS A 88 7.338 6.157 -4.271 1.00 0.00 C ATOM 973 O LYS A 88 6.246 5.586 -4.256 1.00 0.00 O ATOM 974 CB LYS A 88 9.448 5.255 -5.282 1.00 0.00 C ATOM 975 CG LYS A 88 9.120 3.852 -4.791 1.00 0.00 C ATOM 976 CD LYS A 88 8.372 3.048 -5.843 1.00 0.00 C ATOM 977 CE LYS A 88 8.157 1.612 -5.394 1.00 0.00 C ATOM 978 NZ LYS A 88 7.422 1.538 -4.101 1.00 0.00 N ATOM 0 H LYS A 88 9.640 7.646 -5.815 1.00 0.00 H new ATOM 0 HA LYS A 88 7.637 5.724 -6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.013 5.181 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.096 5.741 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.042 3.335 -4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.517 3.915 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.408 3.516 -6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.933 3.059 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.600 1.072 -6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.122 1.115 -5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.851 0.669 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.103 1.528 -3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.798 2.365 -4.008 1.00 0.00 H new ATOM 992 N ALA A 89 7.822 6.827 -3.228 1.00 0.00 N ATOM 993 CA ALA A 89 7.083 6.928 -1.975 1.00 0.00 C ATOM 994 C ALA A 89 5.767 7.668 -2.178 1.00 0.00 C ATOM 995 O ALA A 89 4.792 7.423 -1.468 1.00 0.00 O ATOM 996 CB ALA A 89 7.926 7.621 -0.917 1.00 0.00 C ATOM 0 H ALA A 89 8.722 7.307 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 89 6.855 5.919 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.360 7.689 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.838 7.049 -0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.185 8.623 -1.258 1.00 0.00 H new ATOM 1002 N ILE A 90 5.746 8.577 -3.149 1.00 0.00 N ATOM 1003 CA ILE A 90 4.544 9.347 -3.448 1.00 0.00 C ATOM 1004 C ILE A 90 3.431 8.431 -3.943 1.00 0.00 C ATOM 1005 O ILE A 90 2.362 8.359 -3.339 1.00 0.00 O ATOM 1006 CB ILE A 90 4.817 10.440 -4.501 1.00 0.00 C ATOM 1007 CG1 ILE A 90 5.888 11.409 -3.991 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.530 11.187 -4.836 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.284 12.468 -4.999 1.00 0.00 C ATOM 0 H ILE A 90 6.547 8.798 -3.741 1.00 0.00 H new ATOM 0 HA ILE A 90 4.232 9.831 -2.523 1.00 0.00 H new ATOM 0 HB ILE A 90 5.185 9.967 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.522 11.899 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.774 10.841 -3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.739 11.955 -5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.796 10.486 -5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.135 11.654 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.046 13.116 -4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.682 11.988 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.410 13.063 -5.264 1.00 0.00 H new ATOM 1021 N LYS A 91 3.692 7.729 -5.045 1.00 0.00 N ATOM 1022 CA LYS A 91 2.711 6.808 -5.614 1.00 0.00 C ATOM 1023 C LYS A 91 2.253 5.806 -4.562 1.00 0.00 C ATOM 1024 O LYS A 91 1.127 5.310 -4.606 1.00 0.00 O ATOM 1025 CB LYS A 91 3.302 6.071 -6.818 1.00 0.00 C ATOM 1026 CG LYS A 91 3.429 6.939 -8.060 1.00 0.00 C ATOM 1027 CD LYS A 91 2.066 7.337 -8.602 1.00 0.00 C ATOM 1028 CE LYS A 91 2.190 8.271 -9.793 1.00 0.00 C ATOM 1029 NZ LYS A 91 2.941 7.644 -10.914 1.00 0.00 N ATOM 0 H LYS A 91 4.571 7.780 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 91 1.850 7.387 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.287 5.687 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.676 5.209 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.003 7.835 -7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.984 6.399 -8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.515 6.443 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.489 7.823 -7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.195 8.555 -10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.695 9.187 -9.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.846 8.231 -11.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.946 7.566 -10.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.557 6.696 -11.102 1.00 0.00 H new ATOM 1043 N PHE A 92 3.140 5.514 -3.618 1.00 0.00 N ATOM 1044 CA PHE A 92 2.838 4.583 -2.539 1.00 0.00 C ATOM 1045 C PHE A 92 1.722 5.137 -1.659 1.00 0.00 C ATOM 1046 O PHE A 92 0.636 4.557 -1.575 1.00 0.00 O ATOM 1047 CB PHE A 92 4.101 4.322 -1.711 1.00 0.00 C ATOM 1048 CG PHE A 92 3.969 3.209 -0.710 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.424 1.986 -1.072 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.397 3.387 0.596 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.308 0.963 -0.150 1.00 0.00 C ATOM 1052 CE2 PHE A 92 4.285 2.366 1.522 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.740 1.153 1.148 1.00 0.00 C ATOM 0 H PHE A 92 4.079 5.911 -3.579 1.00 0.00 H new ATOM 0 HA PHE A 92 2.498 3.639 -2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.923 4.089 -2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.371 5.237 -1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.086 1.831 -2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.823 4.334 0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.880 0.016 -0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.623 2.517 2.537 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.652 0.354 1.870 1.00 0.00 H new ATOM 1063 N LYS A 93 1.988 6.272 -1.023 1.00 0.00 N ATOM 1064 CA LYS A 93 1.010 6.911 -0.152 1.00 0.00 C ATOM 1065 C LYS A 93 -0.242 7.303 -0.934 1.00 0.00 C ATOM 1066 O LYS A 93 -1.294 7.565 -0.351 1.00 0.00 O ATOM 1067 CB LYS A 93 1.628 8.144 0.515 1.00 0.00 C ATOM 1068 CG LYS A 93 0.783 8.730 1.635 1.00 0.00 C ATOM 1069 CD LYS A 93 -0.037 9.916 1.152 1.00 0.00 C ATOM 1070 CE LYS A 93 -0.836 10.538 2.285 1.00 0.00 C ATOM 1071 NZ LYS A 93 -1.571 11.754 1.842 1.00 0.00 N ATOM 0 H LYS A 93 2.876 6.769 -1.095 1.00 0.00 H new ATOM 0 HA LYS A 93 0.719 6.198 0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.607 7.877 0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.791 8.911 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.117 7.962 2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.430 9.043 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.625 10.665 0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.715 9.594 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.545 9.807 2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.164 10.797 3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.104 12.149 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.893 12.462 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.231 11.502 1.078 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.124 7.333 -2.261 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.249 7.689 -3.120 1.00 0.00 C ATOM 1087 C ILE A 94 -2.297 6.582 -3.146 1.00 0.00 C ATOM 1088 O ILE A 94 -3.407 6.757 -2.641 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.787 7.990 -4.564 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.221 9.410 -4.654 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.938 7.806 -5.546 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.361 9.748 -6.009 1.00 0.00 C ATOM 0 H ILE A 94 0.737 7.115 -2.762 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.694 8.590 -2.698 1.00 0.00 H new ATOM 0 HB ILE A 94 0.001 7.286 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.012 10.122 -4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.552 9.532 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.592 8.023 -6.557 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.297 6.778 -5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.750 8.486 -5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.742 10.769 -5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.175 9.060 -6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.414 9.659 -6.770 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.943 5.446 -3.745 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.860 4.317 -3.837 1.00 0.00 C ATOM 1106 C LEU A 95 -3.393 3.955 -2.461 1.00 0.00 C ATOM 1107 O LEU A 95 -4.501 3.436 -2.327 1.00 0.00 O ATOM 1108 CB LEU A 95 -2.165 3.105 -4.465 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.823 3.245 -5.950 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -1.136 1.986 -6.457 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -3.076 3.531 -6.766 1.00 0.00 C ATOM 0 H LEU A 95 -1.031 5.286 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.695 4.608 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.245 2.908 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.806 2.233 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.139 4.086 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.899 2.101 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.216 1.822 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.799 1.131 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.811 3.627 -7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.785 2.712 -6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.531 4.459 -6.421 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.594 4.235 -1.438 1.00 0.00 N ATOM 1124 CA ILE A 96 -2.988 3.949 -0.070 1.00 0.00 C ATOM 1125 C ILE A 96 -3.984 4.985 0.442 1.00 0.00 C ATOM 1126 O ILE A 96 -4.882 4.664 1.219 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.762 3.896 0.864 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.797 2.807 0.394 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.193 3.646 2.303 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.596 2.937 0.970 1.00 0.00 C ATOM 0 H ILE A 96 -1.671 4.659 -1.533 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.469 2.971 -0.069 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.251 4.858 0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.203 1.833 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.735 2.834 -0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.313 3.612 2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.851 4.451 2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.724 2.696 2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.223 2.130 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.023 3.896 0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.547 2.879 2.057 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.821 6.229 -0.003 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.713 7.307 0.405 1.00 0.00 C ATOM 1144 C ASN A 97 -6.118 7.081 -0.146 1.00 0.00 C ATOM 1145 O ASN A 97 -7.110 7.309 0.546 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.175 8.657 -0.072 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.041 9.816 0.382 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -4.832 10.378 1.457 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -6.020 10.179 -0.439 1.00 0.00 N ATOM 0 H ASN A 97 -3.081 6.513 -0.645 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.762 7.313 1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.161 8.795 0.304 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.114 8.657 -1.160 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.636 10.953 -0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.156 9.684 -1.320 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.193 6.633 -1.397 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.479 6.371 -2.037 1.00 0.00 C ATOM 1158 C LYS A 98 -8.194 5.213 -1.351 1.00 0.00 C ATOM 1159 O LYS A 98 -9.364 5.322 -0.986 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.288 6.055 -3.522 1.00 0.00 C ATOM 1161 CG LYS A 98 -7.843 7.124 -4.450 1.00 0.00 C ATOM 1162 CD LYS A 98 -6.764 8.100 -4.895 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.799 7.453 -5.877 1.00 0.00 C ATOM 1164 NZ LYS A 98 -4.843 8.441 -6.450 1.00 0.00 N ATOM 0 H LYS A 98 -5.382 6.444 -1.986 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.091 7.268 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.224 5.928 -3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.771 5.104 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.288 6.651 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.639 7.669 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.228 8.970 -5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.214 8.458 -4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.244 6.662 -5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.362 6.983 -6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.030 7.939 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.319 8.995 -7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.512 9.079 -5.699 1.00 0.00 H new ATOM 1178 N MET A 99 -7.481 4.104 -1.181 1.00 0.00 N ATOM 1179 CA MET A 99 -8.042 2.922 -0.535 1.00 0.00 C ATOM 1180 C MET A 99 -8.473 3.246 0.892 1.00 0.00 C ATOM 1181 O MET A 99 -9.360 2.597 1.447 1.00 0.00 O ATOM 1182 CB MET A 99 -7.016 1.788 -0.529 1.00 0.00 C ATOM 1183 CG MET A 99 -7.532 0.500 0.090 1.00 0.00 C ATOM 1184 SD MET A 99 -6.294 -0.811 0.103 1.00 0.00 S ATOM 1185 CE MET A 99 -7.209 -2.135 0.887 1.00 0.00 C ATOM 0 H MET A 99 -6.512 3.999 -1.482 1.00 0.00 H new ATOM 0 HA MET A 99 -8.919 2.603 -1.099 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.703 1.588 -1.554 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.131 2.114 0.017 1.00 0.00 H new ATOM 0 HG2 MET A 99 -7.857 0.697 1.112 1.00 0.00 H new ATOM 0 HG3 MET A 99 -8.408 0.161 -0.463 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.530 -2.953 1.128 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.671 -1.765 1.802 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.983 -2.494 0.209 1.00 0.00 H new ATOM 1195 N ARG A 100 -7.838 4.257 1.477 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.148 4.676 2.838 1.00 0.00 C ATOM 1197 C ARG A 100 -9.504 5.374 2.896 1.00 0.00 C ATOM 1198 O ARG A 100 -10.434 4.891 3.542 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.052 5.607 3.366 1.00 0.00 C ATOM 1200 CG ARG A 100 -7.317 6.144 4.765 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.379 5.026 5.794 1.00 0.00 C ATOM 1202 NE ARG A 100 -7.455 5.543 7.157 1.00 0.00 N ATOM 1203 CZ ARG A 100 -8.206 5.003 8.112 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -8.955 3.940 7.850 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -8.209 5.526 9.329 1.00 0.00 N ATOM 0 H ARG A 100 -7.103 4.803 1.027 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.193 3.788 3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.103 5.070 3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.942 6.447 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.531 6.848 5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.257 6.697 4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.247 4.398 5.595 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.498 4.392 5.695 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.900 6.366 7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.956 3.535 6.914 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.530 3.528 8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.635 6.344 9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.786 5.111 10.061 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.609 6.511 2.216 1.00 0.00 N ATOM 1220 CA ASP A 101 -10.851 7.274 2.190 1.00 0.00 C ATOM 1221 C ASP A 101 -11.904 6.569 1.340 1.00 0.00 C ATOM 1222 O ASP A 101 -12.905 6.077 1.859 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.601 8.682 1.647 1.00 0.00 C ATOM 1224 CG ASP A 101 -9.608 9.458 2.489 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -10.037 10.115 3.460 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -8.399 9.408 2.177 1.00 0.00 O ATOM 0 H ASP A 101 -8.849 6.924 1.676 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.223 7.348 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.231 8.614 0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.544 9.227 1.609 1.00 0.00 H new