USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 614 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 106 MET CE :methyl -114:sc= 0 (180deg=-0.103) USER MOD Set 1.2: A 114 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.31) USER MOD Set 2.1: A 52 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.54) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 28 GLN : amide:sc=-0.00216 X(o=0.045,f=0) USER MOD Set 3.2: A 31 HIS : no HE2:sc= 0.0467 K(o=0.045,f=-0.5) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.4) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -0.501 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 50:sc= -2.96! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -5.35! C(o=-5.4!,f=-2.3!) USER MOD Single : A 45 SER OG : rot 83:sc= 0.449 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.911 K(o=-0.91,f=-0.35) USER MOD Single : A 64 SER OG : rot -130:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.13) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.18 USER MOD Single : A 89 ASN : amide:sc= -2.01 X(o=-2,f=-1.9!) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -7.749 -1.720 7.103 1.00 0.00 N ATOM 135 CA LYS A 11 -8.527 -1.253 5.956 1.00 0.00 C ATOM 136 C LYS A 11 -8.287 -2.138 4.740 1.00 0.00 C ATOM 137 O LYS A 11 -9.200 -2.829 4.298 1.00 0.00 O ATOM 138 CB LYS A 11 -8.221 0.210 5.635 1.00 0.00 C ATOM 139 CG LYS A 11 -8.994 1.205 6.497 1.00 0.00 C ATOM 140 CD LYS A 11 -10.349 0.664 6.935 1.00 0.00 C ATOM 141 CE LYS A 11 -11.150 1.711 7.689 1.00 0.00 C ATOM 142 NZ LYS A 11 -12.580 1.322 7.830 1.00 0.00 N ATOM 0 HA LYS A 11 -9.582 -1.320 6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.153 0.385 5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.450 0.398 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.403 1.454 7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.138 2.130 5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.910 0.335 6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.205 -0.211 7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.715 1.858 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.083 2.665 7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.092 2.063 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.003 1.206 6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.646 0.425 8.352 1.00 0.00 H new ATOM 155 N TRP A 12 -7.048 -2.132 4.230 1.00 0.00 N ATOM 156 CA TRP A 12 -6.656 -2.961 3.071 1.00 0.00 C ATOM 157 C TRP A 12 -7.791 -3.171 2.056 1.00 0.00 C ATOM 158 O TRP A 12 -8.779 -3.847 2.337 1.00 0.00 O ATOM 159 CB TRP A 12 -6.150 -4.328 3.543 1.00 0.00 C ATOM 160 CG TRP A 12 -6.881 -4.863 4.737 1.00 0.00 C ATOM 161 CD1 TRP A 12 -6.677 -4.515 6.040 1.00 0.00 C ATOM 162 CD2 TRP A 12 -7.926 -5.841 4.742 1.00 0.00 C ATOM 163 NE1 TRP A 12 -7.539 -5.202 6.853 1.00 0.00 N ATOM 164 CE2 TRP A 12 -8.314 -6.029 6.082 1.00 0.00 C ATOM 165 CE3 TRP A 12 -8.574 -6.575 3.744 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -9.320 -6.918 6.450 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -9.572 -7.459 4.110 1.00 0.00 C ATOM 168 CH2 TRP A 12 -9.936 -7.624 5.452 1.00 0.00 C ATOM 0 H TRP A 12 -6.291 -1.559 4.602 1.00 0.00 H new ATOM 0 HA TRP A 12 -5.864 -2.411 2.563 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.240 -5.041 2.724 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.090 -4.250 3.783 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.942 -3.801 6.381 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.595 -5.113 7.868 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -8.300 -6.454 2.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -9.604 -7.046 7.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -10.079 -8.032 3.348 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -10.719 -8.323 5.705 1.00 0.00 H new ATOM 179 N ILE A 13 -7.620 -2.618 0.859 1.00 0.00 N ATOM 180 CA ILE A 13 -8.606 -2.765 -0.206 1.00 0.00 C ATOM 181 C ILE A 13 -7.946 -3.305 -1.473 1.00 0.00 C ATOM 182 O ILE A 13 -6.978 -2.736 -1.959 1.00 0.00 O ATOM 183 CB ILE A 13 -9.284 -1.418 -0.537 1.00 0.00 C ATOM 184 CG1 ILE A 13 -8.936 -0.355 0.515 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.788 -1.595 -0.648 1.00 0.00 C ATOM 186 CD1 ILE A 13 -9.744 -0.457 1.794 1.00 0.00 C ATOM 0 H ILE A 13 -6.804 -2.062 0.602 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.362 -3.465 0.149 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.906 -1.072 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.877 -0.436 0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.088 0.633 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.251 -0.636 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.013 -2.309 -1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.181 -1.967 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.436 0.330 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.804 -0.344 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.574 -1.430 2.255 1.00 0.00 H new ATOM 198 N ASN A 14 -8.465 -4.401 -2.009 1.00 0.00 N ATOM 199 CA ASN A 14 -7.892 -4.991 -3.215 1.00 0.00 C ATOM 200 C ASN A 14 -8.781 -4.755 -4.433 1.00 0.00 C ATOM 201 O ASN A 14 -10.000 -4.637 -4.310 1.00 0.00 O ATOM 202 CB ASN A 14 -7.658 -6.490 -3.018 1.00 0.00 C ATOM 203 CG ASN A 14 -7.255 -7.189 -4.302 1.00 0.00 C ATOM 204 OD1 ASN A 14 -8.009 -7.995 -4.845 1.00 0.00 O ATOM 205 ND2 ASN A 14 -6.059 -6.882 -4.793 1.00 0.00 N ATOM 0 H ASN A 14 -9.274 -4.897 -1.634 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.936 -4.501 -3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.880 -6.638 -2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.567 -6.948 -2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.733 -7.321 -5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.467 -6.207 -4.309 1.00 0.00 H new ATOM 212 N PHE A 15 -8.158 -4.687 -5.609 1.00 0.00 N ATOM 213 CA PHE A 15 -8.891 -4.464 -6.850 1.00 0.00 C ATOM 214 C PHE A 15 -8.540 -5.533 -7.886 1.00 0.00 C ATOM 215 O PHE A 15 -8.604 -6.729 -7.595 1.00 0.00 O ATOM 216 CB PHE A 15 -8.589 -3.067 -7.399 1.00 0.00 C ATOM 217 CG PHE A 15 -8.532 -2.004 -6.340 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.676 -1.321 -5.962 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.332 -1.688 -5.724 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.625 -0.342 -4.988 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.274 -0.711 -4.749 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.423 -0.036 -4.380 1.00 0.00 C ATOM 0 H PHE A 15 -7.149 -4.783 -5.726 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.958 -4.534 -6.638 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.637 -3.092 -7.928 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.353 -2.800 -8.129 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.619 -1.556 -6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.431 -2.211 -6.009 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.524 0.183 -4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.332 -0.475 -4.276 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.381 0.729 -3.618 1.00 0.00 H new ATOM 232 N GLN A 16 -8.167 -5.101 -9.090 1.00 0.00 N ATOM 233 CA GLN A 16 -7.805 -6.028 -10.157 1.00 0.00 C ATOM 234 C GLN A 16 -6.711 -6.985 -9.694 1.00 0.00 C ATOM 235 O GLN A 16 -6.813 -8.197 -9.879 1.00 0.00 O ATOM 236 CB GLN A 16 -7.338 -5.260 -11.394 1.00 0.00 C ATOM 237 CG GLN A 16 -8.309 -4.178 -11.838 1.00 0.00 C ATOM 238 CD GLN A 16 -9.338 -4.688 -12.829 1.00 0.00 C ATOM 239 OE1 GLN A 16 -9.798 -5.825 -12.733 1.00 0.00 O ATOM 240 NE2 GLN A 16 -9.703 -3.847 -13.790 1.00 0.00 N ATOM 0 H GLN A 16 -8.108 -4.116 -9.349 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.689 -6.611 -10.415 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.370 -4.805 -11.185 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.190 -5.963 -12.214 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.821 -3.774 -10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.751 -3.357 -12.289 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.296 -2.913 -13.832 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.391 -4.135 -14.486 1.00 0.00 H new ATOM 249 N ARG A 17 -5.667 -6.430 -9.085 1.00 0.00 N ATOM 250 CA ARG A 17 -4.556 -7.232 -8.588 1.00 0.00 C ATOM 251 C ARG A 17 -3.686 -6.425 -7.632 1.00 0.00 C ATOM 252 O ARG A 17 -2.667 -6.911 -7.140 1.00 0.00 O ATOM 253 CB ARG A 17 -3.710 -7.754 -9.752 1.00 0.00 C ATOM 254 CG ARG A 17 -3.336 -6.679 -10.760 1.00 0.00 C ATOM 255 CD ARG A 17 -1.852 -6.715 -11.086 1.00 0.00 C ATOM 256 NE ARG A 17 -1.544 -5.988 -12.316 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.961 -6.543 -13.373 1.00 0.00 C ATOM 258 NH1 ARG A 17 -0.623 -7.825 -13.352 1.00 0.00 N ATOM 259 NH2 ARG A 17 -0.717 -5.815 -14.455 1.00 0.00 N ATOM 0 H ARG A 17 -5.568 -5.428 -8.924 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.971 -8.080 -8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.799 -8.202 -9.356 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.258 -8.545 -10.263 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.914 -6.818 -11.674 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.599 -5.699 -10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.289 -6.283 -10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.528 -7.751 -11.186 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.790 -4.999 -12.366 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.810 -8.388 -12.523 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.176 -8.248 -14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.977 -4.829 -14.476 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.269 -6.241 -15.266 1.00 0.00 H new ATOM 273 N LYS A 18 -4.104 -5.194 -7.367 1.00 0.00 N ATOM 274 CA LYS A 18 -3.387 -4.315 -6.467 1.00 0.00 C ATOM 275 C LYS A 18 -4.227 -4.045 -5.232 1.00 0.00 C ATOM 276 O LYS A 18 -5.447 -4.190 -5.259 1.00 0.00 O ATOM 277 CB LYS A 18 -3.052 -3.002 -7.170 1.00 0.00 C ATOM 278 CG LYS A 18 -4.227 -2.044 -7.243 1.00 0.00 C ATOM 279 CD LYS A 18 -4.185 -1.207 -8.511 1.00 0.00 C ATOM 280 CE LYS A 18 -4.332 0.274 -8.205 1.00 0.00 C ATOM 281 NZ LYS A 18 -4.072 1.118 -9.403 1.00 0.00 N ATOM 0 H LYS A 18 -4.946 -4.783 -7.770 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.457 -4.798 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.229 -2.517 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.704 -3.217 -8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.160 -2.607 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.218 -1.388 -6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.243 -1.380 -9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.983 -1.522 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.338 0.470 -7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.640 0.550 -7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.183 2.121 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.103 0.951 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.748 0.873 -10.154 1.00 0.00 H new ATOM 294 N CYS A 19 -3.575 -3.662 -4.151 1.00 0.00 N ATOM 295 CA CYS A 19 -4.279 -3.385 -2.911 1.00 0.00 C ATOM 296 C CYS A 19 -3.791 -2.094 -2.267 1.00 0.00 C ATOM 297 O CYS A 19 -2.631 -1.710 -2.407 1.00 0.00 O ATOM 298 CB CYS A 19 -4.118 -4.553 -1.933 1.00 0.00 C ATOM 299 SG CYS A 19 -4.367 -4.105 -0.184 1.00 0.00 S ATOM 0 H CYS A 19 -2.564 -3.536 -4.105 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.335 -3.263 -3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.828 -5.336 -2.200 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.120 -4.974 -2.050 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.212 -5.159 0.560 1.00 0.00 H new ATOM 304 N TYR A 20 -4.693 -1.445 -1.545 1.00 0.00 N ATOM 305 CA TYR A 20 -4.392 -0.208 -0.844 1.00 0.00 C ATOM 306 C TYR A 20 -4.762 -0.372 0.619 1.00 0.00 C ATOM 307 O TYR A 20 -5.923 -0.611 0.935 1.00 0.00 O ATOM 308 CB TYR A 20 -5.222 0.944 -1.423 1.00 0.00 C ATOM 309 CG TYR A 20 -4.690 1.545 -2.705 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.230 0.745 -3.743 1.00 0.00 C ATOM 311 CD2 TYR A 20 -4.661 2.923 -2.875 1.00 0.00 C ATOM 312 CE1 TYR A 20 -3.751 1.304 -4.913 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.186 3.489 -4.041 1.00 0.00 C ATOM 314 CZ TYR A 20 -3.731 2.675 -5.057 1.00 0.00 C ATOM 315 OH TYR A 20 -3.257 3.235 -6.222 1.00 0.00 O ATOM 0 H TYR A 20 -5.655 -1.763 -1.429 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.331 0.014 -0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.235 0.585 -1.603 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.291 1.732 -0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.247 -0.329 -3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.016 3.563 -2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.394 0.670 -5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.171 4.563 -4.157 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.313 4.212 -6.162 1.00 0.00 H new ATOM 325 N TYR A 21 -3.806 -0.226 1.518 1.00 0.00 N ATOM 326 CA TYR A 21 -4.126 -0.359 2.927 1.00 0.00 C ATOM 327 C TYR A 21 -4.216 1.002 3.587 1.00 0.00 C ATOM 328 O TYR A 21 -3.219 1.710 3.747 1.00 0.00 O ATOM 329 CB TYR A 21 -3.142 -1.267 3.669 1.00 0.00 C ATOM 330 CG TYR A 21 -1.698 -1.127 3.262 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.243 -1.609 2.042 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.781 -0.534 4.116 1.00 0.00 C ATOM 333 CE1 TYR A 21 0.085 -1.502 1.683 1.00 0.00 C ATOM 334 CE2 TYR A 21 0.546 -0.419 3.767 1.00 0.00 C ATOM 335 CZ TYR A 21 0.977 -0.906 2.549 1.00 0.00 C ATOM 336 OH TYR A 21 2.302 -0.793 2.196 1.00 0.00 O ATOM 0 H TYR A 21 -2.829 -0.021 1.307 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.102 -0.841 2.989 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.222 -1.064 4.737 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.445 -2.303 3.518 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.941 -2.076 1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.113 -0.156 5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.423 -1.882 0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.246 0.050 4.443 1.00 0.00 H new ATOM 0 HH TYR A 21 2.369 -0.406 1.298 1.00 0.00 H new ATOM 346 N PHE A 22 -5.437 1.348 3.959 1.00 0.00 N ATOM 347 CA PHE A 22 -5.728 2.616 4.604 1.00 0.00 C ATOM 348 C PHE A 22 -5.621 2.459 6.115 1.00 0.00 C ATOM 349 O PHE A 22 -6.607 2.573 6.839 1.00 0.00 O ATOM 350 CB PHE A 22 -7.135 3.070 4.196 1.00 0.00 C ATOM 351 CG PHE A 22 -7.275 3.318 2.713 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.181 3.705 1.956 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.497 3.158 2.076 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.298 3.928 0.596 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.620 3.382 0.714 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.517 3.767 -0.026 1.00 0.00 C ATOM 0 H PHE A 22 -6.256 0.756 3.822 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.009 3.373 4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.857 2.312 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.385 3.983 4.736 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.222 3.835 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.362 2.856 2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.434 4.228 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.577 3.256 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.611 3.941 -1.088 1.00 0.00 H new ATOM 366 N GLY A 23 -4.410 2.177 6.581 1.00 0.00 N ATOM 367 CA GLY A 23 -4.188 1.979 7.991 1.00 0.00 C ATOM 368 C GLY A 23 -4.251 3.269 8.785 1.00 0.00 C ATOM 369 O GLY A 23 -4.236 4.359 8.214 1.00 0.00 O ATOM 0 H GLY A 23 -3.577 2.083 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.934 1.284 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.213 1.515 8.138 1.00 0.00 H new ATOM 373 N LYS A 24 -4.333 3.142 10.106 1.00 0.00 N ATOM 374 CA LYS A 24 -4.413 4.304 10.985 1.00 0.00 C ATOM 375 C LYS A 24 -3.226 4.359 11.944 1.00 0.00 C ATOM 376 O LYS A 24 -2.775 3.331 12.450 1.00 0.00 O ATOM 377 CB LYS A 24 -5.721 4.280 11.778 1.00 0.00 C ATOM 378 CG LYS A 24 -5.973 2.965 12.496 1.00 0.00 C ATOM 379 CD LYS A 24 -7.351 2.936 13.137 1.00 0.00 C ATOM 380 CE LYS A 24 -7.827 1.511 13.371 1.00 0.00 C ATOM 381 NZ LYS A 24 -7.178 0.897 14.563 1.00 0.00 N ATOM 0 H LYS A 24 -4.346 2.245 10.592 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.387 5.196 10.359 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.707 5.087 12.510 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.551 4.479 11.100 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.882 2.140 11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.211 2.815 13.261 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.323 3.472 14.086 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.062 3.458 12.497 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.909 1.507 13.504 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.612 0.907 12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.529 -0.074 14.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.147 0.877 14.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.404 1.458 15.409 1.00 0.00 H new ATOM 436 N GLN A 28 4.200 11.398 10.587 1.00 0.00 N ATOM 437 CA GLN A 28 4.353 12.377 9.516 1.00 0.00 C ATOM 438 C GLN A 28 4.323 11.692 8.152 1.00 0.00 C ATOM 439 O GLN A 28 4.038 10.498 8.054 1.00 0.00 O ATOM 440 CB GLN A 28 5.664 13.149 9.680 1.00 0.00 C ATOM 441 CG GLN A 28 6.090 13.332 11.129 1.00 0.00 C ATOM 442 CD GLN A 28 7.485 12.802 11.396 1.00 0.00 C ATOM 443 OE1 GLN A 28 7.690 11.981 12.290 1.00 0.00 O ATOM 444 NE2 GLN A 28 8.456 13.274 10.621 1.00 0.00 N ATOM 0 HA GLN A 28 3.520 13.077 9.575 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.454 12.624 9.142 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.558 14.129 9.215 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.052 14.391 11.384 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.380 12.822 11.780 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.241 13.954 9.891 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.416 12.956 10.756 1.00 0.00 H new ATOM 453 N TRP A 29 4.614 12.455 7.102 1.00 0.00 N ATOM 454 CA TRP A 29 4.615 11.916 5.747 1.00 0.00 C ATOM 455 C TRP A 29 5.725 10.892 5.557 1.00 0.00 C ATOM 456 O TRP A 29 5.490 9.791 5.059 1.00 0.00 O ATOM 457 CB TRP A 29 4.774 13.032 4.717 1.00 0.00 C ATOM 458 CG TRP A 29 4.739 12.515 3.313 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.636 12.360 2.526 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.855 12.064 2.538 1.00 0.00 C ATOM 461 NE1 TRP A 29 3.998 11.837 1.310 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.354 11.649 1.292 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.230 11.971 2.777 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.175 11.147 0.288 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.046 11.475 1.778 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.516 11.067 0.547 1.00 0.00 C ATOM 0 H TRP A 29 4.851 13.445 7.164 1.00 0.00 H new ATOM 0 HA TRP A 29 3.655 11.423 5.597 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.979 13.765 4.852 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.718 13.550 4.888 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.627 12.612 2.817 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.360 11.623 0.544 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.646 12.281 3.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.769 10.832 -0.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.110 11.401 1.949 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.180 10.681 -0.213 1.00 0.00 H new ATOM 477 N VAL A 30 6.935 11.268 5.946 1.00 0.00 N ATOM 478 CA VAL A 30 8.091 10.388 5.815 1.00 0.00 C ATOM 479 C VAL A 30 7.834 9.051 6.490 1.00 0.00 C ATOM 480 O VAL A 30 8.337 8.015 6.058 1.00 0.00 O ATOM 481 CB VAL A 30 9.355 11.026 6.419 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.860 12.148 5.530 1.00 0.00 C ATOM 483 CG2 VAL A 30 9.073 11.537 7.823 1.00 0.00 C ATOM 0 H VAL A 30 7.143 12.178 6.356 1.00 0.00 H new ATOM 0 HA VAL A 30 8.253 10.229 4.749 1.00 0.00 H new ATOM 0 HB VAL A 30 10.132 10.264 6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.754 12.588 5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.101 11.751 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.089 12.912 5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.977 11.985 8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.282 12.286 7.786 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.758 10.707 8.456 1.00 0.00 H new ATOM 493 N HIS A 31 7.041 9.080 7.550 1.00 0.00 N ATOM 494 CA HIS A 31 6.707 7.867 8.278 1.00 0.00 C ATOM 495 C HIS A 31 5.751 7.004 7.462 1.00 0.00 C ATOM 496 O HIS A 31 5.734 5.781 7.601 1.00 0.00 O ATOM 497 CB HIS A 31 6.086 8.209 9.631 1.00 0.00 C ATOM 498 CG HIS A 31 6.973 7.886 10.794 1.00 0.00 C ATOM 499 ND1 HIS A 31 7.451 8.842 11.665 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.469 6.703 11.229 1.00 0.00 C ATOM 501 CE1 HIS A 31 8.203 8.263 12.584 1.00 0.00 C ATOM 502 NE2 HIS A 31 8.229 6.965 12.342 1.00 0.00 N ATOM 0 H HIS A 31 6.618 9.929 7.924 1.00 0.00 H new ATOM 0 HA HIS A 31 7.625 7.305 8.450 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.844 9.272 9.653 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.147 7.666 9.739 1.00 0.00 H new ATOM 0 HD1 HIS A 31 7.254 9.841 11.609 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.298 5.734 10.783 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.710 8.765 13.395 1.00 0.00 H new ATOM 511 N ALA A 32 4.957 7.648 6.608 1.00 0.00 N ATOM 512 CA ALA A 32 4.007 6.930 5.771 1.00 0.00 C ATOM 513 C ALA A 32 4.729 6.128 4.698 1.00 0.00 C ATOM 514 O ALA A 32 4.467 4.940 4.524 1.00 0.00 O ATOM 515 CB ALA A 32 3.022 7.899 5.136 1.00 0.00 C ATOM 0 H ALA A 32 4.955 8.660 6.480 1.00 0.00 H new ATOM 0 HA ALA A 32 3.454 6.234 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.318 7.347 4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.477 8.428 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.564 8.618 4.521 1.00 0.00 H new ATOM 521 N ARG A 33 5.650 6.779 3.994 1.00 0.00 N ATOM 522 CA ARG A 33 6.418 6.116 2.950 1.00 0.00 C ATOM 523 C ARG A 33 7.221 4.963 3.536 1.00 0.00 C ATOM 524 O ARG A 33 7.321 3.893 2.935 1.00 0.00 O ATOM 525 CB ARG A 33 7.348 7.106 2.243 1.00 0.00 C ATOM 526 CG ARG A 33 8.399 7.720 3.152 1.00 0.00 C ATOM 527 CD ARG A 33 9.805 7.390 2.679 1.00 0.00 C ATOM 528 NE ARG A 33 10.269 8.316 1.650 1.00 0.00 N ATOM 529 CZ ARG A 33 11.549 8.498 1.343 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.492 7.820 1.984 1.00 0.00 N ATOM 531 NH2 ARG A 33 11.890 9.360 0.394 1.00 0.00 N ATOM 0 H ARG A 33 5.881 7.763 4.128 1.00 0.00 H new ATOM 0 HA ARG A 33 5.719 5.720 2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.847 6.596 1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.748 7.904 1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.269 8.802 3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.261 7.354 4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.489 7.419 3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.826 6.373 2.287 1.00 0.00 H new ATOM 0 HE ARG A 33 9.570 8.854 1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.235 7.157 2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.474 7.962 1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.169 9.885 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.873 9.498 0.160 1.00 0.00 H new ATOM 545 N TYR A 34 7.781 5.185 4.721 1.00 0.00 N ATOM 546 CA TYR A 34 8.561 4.156 5.395 1.00 0.00 C ATOM 547 C TYR A 34 7.679 2.957 5.711 1.00 0.00 C ATOM 548 O TYR A 34 8.121 1.810 5.641 1.00 0.00 O ATOM 549 CB TYR A 34 9.184 4.707 6.680 1.00 0.00 C ATOM 550 CG TYR A 34 10.692 4.608 6.714 1.00 0.00 C ATOM 551 CD1 TYR A 34 11.321 3.389 6.941 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.486 5.731 6.520 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.699 3.294 6.974 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.865 5.643 6.550 1.00 0.00 C ATOM 555 CZ TYR A 34 13.466 4.423 6.778 1.00 0.00 C ATOM 556 OH TYR A 34 14.839 4.332 6.809 1.00 0.00 O ATOM 0 H TYR A 34 7.709 6.065 5.232 1.00 0.00 H new ATOM 0 HA TYR A 34 9.365 3.840 4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.894 5.752 6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.774 4.167 7.533 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.723 2.503 7.094 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.018 6.688 6.343 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.173 2.340 7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.469 6.525 6.396 1.00 0.00 H new ATOM 0 HH TYR A 34 15.229 5.217 6.652 1.00 0.00 H new ATOM 566 N ALA A 35 6.419 3.233 6.038 1.00 0.00 N ATOM 567 CA ALA A 35 5.464 2.176 6.340 1.00 0.00 C ATOM 568 C ALA A 35 5.234 1.325 5.102 1.00 0.00 C ATOM 569 O ALA A 35 5.187 0.095 5.173 1.00 0.00 O ATOM 570 CB ALA A 35 4.153 2.768 6.835 1.00 0.00 C ATOM 0 H ALA A 35 6.039 4.177 6.100 1.00 0.00 H new ATOM 0 HA ALA A 35 5.870 1.546 7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.451 1.964 7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.335 3.350 7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.733 3.415 6.065 1.00 0.00 H new ATOM 576 N CYS A 36 5.115 1.994 3.960 1.00 0.00 N ATOM 577 CA CYS A 36 4.914 1.317 2.693 1.00 0.00 C ATOM 578 C CYS A 36 6.032 0.316 2.461 1.00 0.00 C ATOM 579 O CYS A 36 5.790 -0.854 2.172 1.00 0.00 O ATOM 580 CB CYS A 36 4.889 2.326 1.547 1.00 0.00 C ATOM 581 SG CYS A 36 4.076 3.906 1.948 1.00 0.00 S ATOM 0 H CYS A 36 5.155 3.011 3.891 1.00 0.00 H new ATOM 0 HA CYS A 36 3.958 0.795 2.726 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.914 2.528 1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.380 1.876 0.695 1.00 0.00 H new ATOM 586 N ASP A 37 7.262 0.798 2.594 1.00 0.00 N ATOM 587 CA ASP A 37 8.439 -0.037 2.406 1.00 0.00 C ATOM 588 C ASP A 37 8.398 -1.249 3.333 1.00 0.00 C ATOM 589 O ASP A 37 8.921 -2.314 3.002 1.00 0.00 O ATOM 590 CB ASP A 37 9.711 0.773 2.660 1.00 0.00 C ATOM 591 CG ASP A 37 10.770 0.532 1.602 1.00 0.00 C ATOM 592 OD1 ASP A 37 10.518 0.862 0.424 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.851 0.014 1.951 1.00 0.00 O ATOM 0 H ASP A 37 7.469 1.768 2.833 1.00 0.00 H new ATOM 0 HA ASP A 37 8.443 -0.390 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.463 1.834 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.114 0.514 3.639 1.00 0.00 H new ATOM 598 N ASP A 38 7.772 -1.079 4.494 1.00 0.00 N ATOM 599 CA ASP A 38 7.658 -2.157 5.467 1.00 0.00 C ATOM 600 C ASP A 38 6.705 -3.238 4.967 1.00 0.00 C ATOM 601 O ASP A 38 6.832 -4.408 5.328 1.00 0.00 O ATOM 602 CB ASP A 38 7.172 -1.612 6.812 1.00 0.00 C ATOM 603 CG ASP A 38 8.048 -2.056 7.967 1.00 0.00 C ATOM 604 OD1 ASP A 38 7.935 -3.229 8.382 1.00 0.00 O ATOM 605 OD2 ASP A 38 8.848 -1.230 8.456 1.00 0.00 O ATOM 0 H ASP A 38 7.336 -0.203 4.783 1.00 0.00 H new ATOM 0 HA ASP A 38 8.645 -2.600 5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.151 -0.523 6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.149 -1.944 6.987 1.00 0.00 H new ATOM 610 N MET A 39 5.755 -2.837 4.128 1.00 0.00 N ATOM 611 CA MET A 39 4.783 -3.767 3.569 1.00 0.00 C ATOM 612 C MET A 39 5.139 -4.105 2.126 1.00 0.00 C ATOM 613 O MET A 39 4.432 -4.860 1.459 1.00 0.00 O ATOM 614 CB MET A 39 3.375 -3.176 3.640 1.00 0.00 C ATOM 615 CG MET A 39 2.807 -3.123 5.049 1.00 0.00 C ATOM 616 SD MET A 39 2.642 -4.757 5.794 1.00 0.00 S ATOM 617 CE MET A 39 2.900 -4.369 7.523 1.00 0.00 C ATOM 0 H MET A 39 5.638 -1.872 3.820 1.00 0.00 H new ATOM 0 HA MET A 39 4.806 -4.684 4.158 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.392 -2.168 3.226 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.710 -3.768 3.011 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.453 -2.507 5.674 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.831 -2.639 5.025 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.828 -5.281 8.115 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.888 -3.929 7.653 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.141 -3.661 7.854 1.00 0.00 H new ATOM 627 N GLU A 40 6.249 -3.538 1.662 1.00 0.00 N ATOM 628 CA GLU A 40 6.735 -3.764 0.303 1.00 0.00 C ATOM 629 C GLU A 40 5.803 -3.156 -0.742 1.00 0.00 C ATOM 630 O GLU A 40 5.677 -3.679 -1.849 1.00 0.00 O ATOM 631 CB GLU A 40 6.911 -5.261 0.040 1.00 0.00 C ATOM 632 CG GLU A 40 8.272 -5.797 0.451 1.00 0.00 C ATOM 633 CD GLU A 40 8.757 -6.911 -0.457 1.00 0.00 C ATOM 634 OE1 GLU A 40 9.224 -6.606 -1.574 1.00 0.00 O ATOM 635 OE2 GLU A 40 8.671 -8.089 -0.048 1.00 0.00 O ATOM 0 H GLU A 40 6.835 -2.912 2.214 1.00 0.00 H new ATOM 0 HA GLU A 40 7.702 -3.268 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.137 -5.809 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.760 -5.455 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.997 -4.983 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.219 -6.165 1.476 1.00 0.00 H new ATOM 642 N GLY A 41 5.162 -2.045 -0.392 1.00 0.00 N ATOM 643 CA GLY A 41 4.265 -1.385 -1.321 1.00 0.00 C ATOM 644 C GLY A 41 4.806 -0.053 -1.793 1.00 0.00 C ATOM 645 O GLY A 41 5.940 0.031 -2.267 1.00 0.00 O ATOM 0 H GLY A 41 5.248 -1.591 0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.097 -2.032 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.297 -1.233 -0.843 1.00 0.00 H new ATOM 649 N GLN A 42 3.992 0.985 -1.679 1.00 0.00 N ATOM 650 CA GLN A 42 4.385 2.318 -2.112 1.00 0.00 C ATOM 651 C GLN A 42 3.486 3.338 -1.456 1.00 0.00 C ATOM 652 O GLN A 42 2.380 3.003 -1.043 1.00 0.00 O ATOM 653 CB GLN A 42 4.264 2.441 -3.631 1.00 0.00 C ATOM 654 CG GLN A 42 4.513 3.848 -4.153 1.00 0.00 C ATOM 655 CD GLN A 42 5.983 4.221 -4.147 1.00 0.00 C ATOM 656 OE1 GLN A 42 6.856 3.354 -4.117 1.00 0.00 O ATOM 657 NE2 GLN A 42 6.263 5.519 -4.177 1.00 0.00 N ATOM 0 H GLN A 42 3.051 0.930 -1.289 1.00 0.00 H new ATOM 0 HA GLN A 42 5.422 2.493 -1.825 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.973 1.759 -4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.267 2.122 -3.934 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.126 3.928 -5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.959 4.561 -3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.507 6.203 -4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.234 5.831 -4.176 1.00 0.00 H new ATOM 666 N LEU A 43 3.916 4.584 -1.372 1.00 0.00 N ATOM 667 CA LEU A 43 3.050 5.565 -0.780 1.00 0.00 C ATOM 668 C LEU A 43 1.999 5.905 -1.819 1.00 0.00 C ATOM 669 O LEU A 43 2.299 6.469 -2.872 1.00 0.00 O ATOM 670 CB LEU A 43 3.848 6.810 -0.366 1.00 0.00 C ATOM 671 CG LEU A 43 3.241 7.674 0.750 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.516 6.829 1.775 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.323 8.495 1.428 1.00 0.00 C ATOM 0 H LEU A 43 4.822 4.923 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 43 2.580 5.180 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.840 6.489 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.983 7.437 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 43 2.514 8.344 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.100 7.474 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.710 6.279 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.215 6.125 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.879 9.102 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.069 7.828 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.800 9.145 0.694 1.00 0.00 H new ATOM 685 N VAL A 44 0.776 5.508 -1.499 1.00 0.00 N ATOM 686 CA VAL A 44 -0.393 5.684 -2.354 1.00 0.00 C ATOM 687 C VAL A 44 -0.119 6.493 -3.611 1.00 0.00 C ATOM 688 O VAL A 44 0.000 5.936 -4.703 1.00 0.00 O ATOM 689 CB VAL A 44 -1.537 6.338 -1.576 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.713 5.389 -1.486 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.065 6.749 -0.193 1.00 0.00 C ATOM 0 H VAL A 44 0.562 5.043 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.673 4.680 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.859 7.235 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.522 5.864 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.058 5.142 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.407 4.478 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.889 7.213 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.722 5.869 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.245 7.461 -0.285 1.00 0.00 H new ATOM 701 N SER A 45 -0.051 7.804 -3.453 1.00 0.00 N ATOM 702 CA SER A 45 0.178 8.699 -4.582 1.00 0.00 C ATOM 703 C SER A 45 -0.998 8.614 -5.544 1.00 0.00 C ATOM 704 O SER A 45 -0.834 8.318 -6.729 1.00 0.00 O ATOM 705 CB SER A 45 1.478 8.338 -5.303 1.00 0.00 C ATOM 706 OG SER A 45 2.145 9.500 -5.761 1.00 0.00 O ATOM 0 H SER A 45 -0.151 8.276 -2.554 1.00 0.00 H new ATOM 0 HA SER A 45 0.268 9.720 -4.210 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.130 7.783 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.260 7.683 -6.147 1.00 0.00 H new ATOM 0 HG SER A 45 2.667 9.888 -5.028 1.00 0.00 H new ATOM 712 N ILE A 46 -2.190 8.858 -5.011 1.00 0.00 N ATOM 713 CA ILE A 46 -3.419 8.796 -5.794 1.00 0.00 C ATOM 714 C ILE A 46 -3.314 9.619 -7.071 1.00 0.00 C ATOM 715 O ILE A 46 -2.747 10.712 -7.076 1.00 0.00 O ATOM 716 CB ILE A 46 -4.649 9.276 -4.990 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.229 9.912 -3.657 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.613 8.120 -4.763 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.931 8.912 -2.558 1.00 0.00 C ATOM 0 H ILE A 46 -2.332 9.103 -4.031 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.555 7.745 -6.051 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.159 10.044 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.344 10.526 -3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.022 10.580 -3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.475 8.471 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.946 7.730 -5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.109 7.330 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.642 9.443 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.820 8.313 -2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.116 8.259 -2.871 1.00 0.00 H new ATOM 731 N HIS A 47 -3.866 9.079 -8.153 1.00 0.00 N ATOM 732 CA HIS A 47 -3.842 9.751 -9.444 1.00 0.00 C ATOM 733 C HIS A 47 -5.239 9.798 -10.053 1.00 0.00 C ATOM 734 O HIS A 47 -5.439 10.365 -11.127 1.00 0.00 O ATOM 735 CB HIS A 47 -2.886 9.035 -10.397 1.00 0.00 C ATOM 736 CG HIS A 47 -3.049 7.546 -10.402 1.00 0.00 C ATOM 737 ND1 HIS A 47 -3.923 6.887 -11.241 1.00 0.00 N ATOM 738 CD2 HIS A 47 -2.443 6.585 -9.664 1.00 0.00 C ATOM 739 CE1 HIS A 47 -3.849 5.586 -11.018 1.00 0.00 C ATOM 740 NE2 HIS A 47 -2.956 5.378 -10.067 1.00 0.00 N ATOM 0 H HIS A 47 -4.337 8.174 -8.159 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.493 10.772 -9.289 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.043 9.413 -11.407 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.860 9.279 -10.121 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.695 6.740 -8.900 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.421 4.824 -11.526 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.691 4.467 -9.693 1.00 0.00 H new ATOM 749 N SER A 48 -6.202 9.200 -9.358 1.00 0.00 N ATOM 750 CA SER A 48 -7.578 9.178 -9.829 1.00 0.00 C ATOM 751 C SER A 48 -8.495 9.843 -8.816 1.00 0.00 C ATOM 752 O SER A 48 -8.558 9.425 -7.662 1.00 0.00 O ATOM 753 CB SER A 48 -8.030 7.739 -10.081 1.00 0.00 C ATOM 754 OG SER A 48 -8.865 7.659 -11.222 1.00 0.00 O ATOM 0 H SER A 48 -6.053 8.725 -8.468 1.00 0.00 H new ATOM 0 HA SER A 48 -7.631 9.732 -10.766 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.158 7.100 -10.219 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.565 7.364 -9.208 1.00 0.00 H new ATOM 0 HG SER A 48 -9.139 6.729 -11.362 1.00 0.00 H new ATOM 760 N PRO A 49 -9.227 10.893 -9.233 1.00 0.00 N ATOM 761 CA PRO A 49 -10.146 11.603 -8.347 1.00 0.00 C ATOM 762 C PRO A 49 -11.014 10.636 -7.555 1.00 0.00 C ATOM 763 O PRO A 49 -11.431 10.929 -6.434 1.00 0.00 O ATOM 764 CB PRO A 49 -10.989 12.433 -9.313 1.00 0.00 C ATOM 765 CG PRO A 49 -10.081 12.690 -10.466 1.00 0.00 C ATOM 766 CD PRO A 49 -9.220 11.462 -10.595 1.00 0.00 C ATOM 0 HA PRO A 49 -9.632 12.205 -7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.884 11.894 -9.624 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.321 13.364 -8.853 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.650 12.866 -11.379 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.472 13.578 -10.293 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.626 10.762 -11.325 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.210 11.712 -10.921 1.00 0.00 H new ATOM 774 N GLU A 50 -11.265 9.469 -8.144 1.00 0.00 N ATOM 775 CA GLU A 50 -12.062 8.442 -7.494 1.00 0.00 C ATOM 776 C GLU A 50 -11.278 7.789 -6.371 1.00 0.00 C ATOM 777 O GLU A 50 -11.797 7.589 -5.275 1.00 0.00 O ATOM 778 CB GLU A 50 -12.493 7.373 -8.495 1.00 0.00 C ATOM 779 CG GLU A 50 -13.183 6.187 -7.846 1.00 0.00 C ATOM 780 CD GLU A 50 -13.109 4.932 -8.696 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.020 4.323 -8.761 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.140 4.560 -9.295 1.00 0.00 O ATOM 0 H GLU A 50 -10.926 9.215 -9.072 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.950 8.923 -7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.166 7.820 -9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.617 7.021 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.726 5.992 -6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.228 6.436 -7.662 1.00 0.00 H new ATOM 789 N GLU A 51 -10.028 7.446 -6.659 1.00 0.00 N ATOM 790 CA GLU A 51 -9.174 6.804 -5.680 1.00 0.00 C ATOM 791 C GLU A 51 -8.938 7.726 -4.491 1.00 0.00 C ATOM 792 O GLU A 51 -9.065 7.311 -3.340 1.00 0.00 O ATOM 793 CB GLU A 51 -7.846 6.397 -6.318 1.00 0.00 C ATOM 794 CG GLU A 51 -7.960 5.198 -7.246 1.00 0.00 C ATOM 795 CD GLU A 51 -7.900 3.877 -6.503 1.00 0.00 C ATOM 796 OE1 GLU A 51 -8.962 3.406 -6.044 1.00 0.00 O ATOM 797 OE2 GLU A 51 -6.792 3.316 -6.379 1.00 0.00 O ATOM 0 H GLU A 51 -9.587 7.604 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.674 5.904 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.447 7.243 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.128 6.169 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.898 5.258 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.156 5.234 -7.981 1.00 0.00 H new ATOM 804 N GLN A 52 -8.611 8.985 -4.773 1.00 0.00 N ATOM 805 CA GLN A 52 -8.380 9.961 -3.719 1.00 0.00 C ATOM 806 C GLN A 52 -9.629 10.089 -2.857 1.00 0.00 C ATOM 807 O GLN A 52 -9.551 10.164 -1.633 1.00 0.00 O ATOM 808 CB GLN A 52 -7.982 11.321 -4.312 1.00 0.00 C ATOM 809 CG GLN A 52 -9.160 12.231 -4.629 1.00 0.00 C ATOM 810 CD GLN A 52 -9.395 13.292 -3.567 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.017 14.321 -3.832 1.00 0.00 O ATOM 812 NE2 GLN A 52 -8.898 13.051 -2.358 1.00 0.00 N ATOM 0 H GLN A 52 -8.501 9.349 -5.719 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.555 9.619 -3.095 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.321 11.831 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.410 11.154 -5.225 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.988 12.718 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.061 11.626 -4.736 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.388 12.186 -2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.026 13.731 -1.609 1.00 0.00 H new ATOM 821 N ASP A 53 -10.782 10.080 -3.517 1.00 0.00 N ATOM 822 CA ASP A 53 -12.066 10.159 -2.844 1.00 0.00 C ATOM 823 C ASP A 53 -12.322 8.863 -2.092 1.00 0.00 C ATOM 824 O ASP A 53 -12.936 8.853 -1.027 1.00 0.00 O ATOM 825 CB ASP A 53 -13.186 10.414 -3.853 1.00 0.00 C ATOM 826 CG ASP A 53 -14.482 10.834 -3.186 1.00 0.00 C ATOM 827 OD1 ASP A 53 -15.187 9.951 -2.654 1.00 0.00 O ATOM 828 OD2 ASP A 53 -14.790 12.043 -3.196 1.00 0.00 O ATOM 0 H ASP A 53 -10.849 10.018 -4.533 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.047 10.990 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.872 11.190 -4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.358 9.510 -4.437 1.00 0.00 H new ATOM 833 N PHE A 54 -11.853 7.768 -2.678 1.00 0.00 N ATOM 834 CA PHE A 54 -12.020 6.445 -2.108 1.00 0.00 C ATOM 835 C PHE A 54 -11.386 6.371 -0.725 1.00 0.00 C ATOM 836 O PHE A 54 -12.026 5.963 0.245 1.00 0.00 O ATOM 837 CB PHE A 54 -11.354 5.430 -3.033 1.00 0.00 C ATOM 838 CG PHE A 54 -12.296 4.428 -3.621 1.00 0.00 C ATOM 839 CD1 PHE A 54 -13.128 4.780 -4.668 1.00 0.00 C ATOM 840 CD2 PHE A 54 -12.342 3.136 -3.133 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.993 3.859 -5.221 1.00 0.00 C ATOM 842 CE2 PHE A 54 -13.207 2.207 -3.679 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.034 2.569 -4.726 1.00 0.00 C ATOM 0 H PHE A 54 -11.346 7.777 -3.563 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.083 6.227 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.857 5.964 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.579 4.902 -2.477 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.100 5.787 -5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.695 2.849 -2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.637 4.145 -6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.237 1.200 -3.289 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.711 1.846 -5.156 1.00 0.00 H new ATOM 853 N LEU A 55 -10.133 6.795 -0.639 1.00 0.00 N ATOM 854 CA LEU A 55 -9.414 6.809 0.626 1.00 0.00 C ATOM 855 C LEU A 55 -9.925 7.934 1.504 1.00 0.00 C ATOM 856 O LEU A 55 -9.953 7.823 2.727 1.00 0.00 O ATOM 857 CB LEU A 55 -7.919 6.984 0.400 1.00 0.00 C ATOM 858 CG LEU A 55 -7.550 7.863 -0.785 1.00 0.00 C ATOM 859 CD1 LEU A 55 -6.915 9.153 -0.306 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.621 7.113 -1.720 1.00 0.00 C ATOM 0 H LEU A 55 -9.592 7.135 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.584 5.853 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.477 7.410 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.470 6.001 0.259 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.456 8.117 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.656 9.772 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.618 9.691 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.013 8.925 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.363 7.751 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.713 6.835 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.118 6.214 -2.083 1.00 0.00 H new ATOM 872 N THR A 56 -10.321 9.024 0.858 1.00 0.00 N ATOM 873 CA THR A 56 -10.830 10.190 1.558 1.00 0.00 C ATOM 874 C THR A 56 -12.077 9.818 2.350 1.00 0.00 C ATOM 875 O THR A 56 -12.233 10.209 3.507 1.00 0.00 O ATOM 876 CB THR A 56 -11.128 11.308 0.547 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.196 12.366 0.676 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.513 11.904 0.669 1.00 0.00 C ATOM 0 H THR A 56 -10.298 9.122 -0.157 1.00 0.00 H new ATOM 0 HA THR A 56 -10.080 10.552 2.261 1.00 0.00 H new ATOM 0 HB THR A 56 -11.054 10.823 -0.426 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.403 13.066 0.022 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.640 12.685 -0.081 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.259 11.125 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.639 12.332 1.664 1.00 0.00 H new ATOM 886 N LYS A 57 -12.947 9.037 1.724 1.00 0.00 N ATOM 887 CA LYS A 57 -14.166 8.582 2.368 1.00 0.00 C ATOM 888 C LYS A 57 -13.826 7.508 3.389 1.00 0.00 C ATOM 889 O LYS A 57 -14.449 7.414 4.447 1.00 0.00 O ATOM 890 CB LYS A 57 -15.150 8.034 1.332 1.00 0.00 C ATOM 891 CG LYS A 57 -16.579 8.509 1.539 1.00 0.00 C ATOM 892 CD LYS A 57 -17.116 9.212 0.303 1.00 0.00 C ATOM 893 CE LYS A 57 -16.831 10.704 0.341 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.771 11.427 1.242 1.00 0.00 N ATOM 0 H LYS A 57 -12.828 8.706 0.767 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.638 9.425 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.818 8.329 0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.130 6.945 1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.215 7.658 1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.618 9.188 2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.665 8.777 -0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.191 9.048 0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.807 10.869 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.906 11.114 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.543 12.442 1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.746 11.291 0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.681 11.054 2.209 1.00 0.00 H new ATOM 907 N HIS A 58 -12.817 6.707 3.060 1.00 0.00 N ATOM 908 CA HIS A 58 -12.365 5.639 3.937 1.00 0.00 C ATOM 909 C HIS A 58 -11.692 6.217 5.178 1.00 0.00 C ATOM 910 O HIS A 58 -11.723 5.613 6.251 1.00 0.00 O ATOM 911 CB HIS A 58 -11.389 4.727 3.196 1.00 0.00 C ATOM 912 CG HIS A 58 -11.781 3.282 3.226 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.657 2.721 2.321 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.411 2.280 4.059 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.809 1.438 2.596 1.00 0.00 C ATOM 916 NE2 HIS A 58 -12.063 1.145 3.645 1.00 0.00 N ATOM 0 H HIS A 58 -12.296 6.781 2.186 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.233 5.057 4.247 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.315 5.054 2.159 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.398 4.835 3.636 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.730 2.359 4.893 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -13.437 0.746 2.055 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -11.984 0.225 4.078 1.00 0.00 H new ATOM 978 N GLY A 63 -7.120 12.047 8.648 1.00 0.00 N ATOM 979 CA GLY A 63 -6.880 12.089 7.217 1.00 0.00 C ATOM 980 C GLY A 63 -6.063 10.909 6.728 1.00 0.00 C ATOM 981 O GLY A 63 -5.934 9.903 7.425 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.835 12.107 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.361 13.014 6.966 1.00 0.00 H new ATOM 985 N SER A 64 -5.511 11.035 5.525 1.00 0.00 N ATOM 986 CA SER A 64 -4.703 9.971 4.939 1.00 0.00 C ATOM 987 C SER A 64 -3.422 10.532 4.329 1.00 0.00 C ATOM 988 O SER A 64 -3.377 11.686 3.904 1.00 0.00 O ATOM 989 CB SER A 64 -5.506 9.227 3.871 1.00 0.00 C ATOM 990 OG SER A 64 -5.317 9.808 2.592 1.00 0.00 O ATOM 0 H SER A 64 -5.608 11.863 4.937 1.00 0.00 H new ATOM 0 HA SER A 64 -4.430 9.275 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.202 8.180 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.565 9.246 4.129 1.00 0.00 H new ATOM 0 HG SER A 64 -6.188 9.967 2.173 1.00 0.00 H new ATOM 996 N TRP A 65 -2.385 9.700 4.276 1.00 0.00 N ATOM 997 CA TRP A 65 -1.106 10.105 3.705 1.00 0.00 C ATOM 998 C TRP A 65 -1.006 9.613 2.274 1.00 0.00 C ATOM 999 O TRP A 65 -1.300 8.456 1.989 1.00 0.00 O ATOM 1000 CB TRP A 65 0.053 9.543 4.530 1.00 0.00 C ATOM 1001 CG TRP A 65 0.465 10.430 5.666 1.00 0.00 C ATOM 1002 CD1 TRP A 65 0.853 11.736 5.590 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.534 10.070 7.051 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.156 12.211 6.844 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.967 11.208 7.756 1.00 0.00 C ATOM 1006 CE3 TRP A 65 0.270 8.898 7.763 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 1.140 11.206 9.137 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 0.442 8.897 9.134 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.873 10.045 9.809 1.00 0.00 C ATOM 0 H TRP A 65 -2.407 8.741 4.622 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.046 11.193 3.719 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.233 8.568 4.926 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.910 9.383 3.876 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.913 12.312 4.678 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.471 13.157 7.060 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.063 8.007 7.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.473 12.090 9.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.241 7.996 9.694 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.997 10.013 10.881 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.600 10.495 1.375 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.477 10.137 -0.030 1.00 0.00 C ATOM 1022 C ILE A 66 0.967 10.203 -0.496 1.00 0.00 C ATOM 1023 O ILE A 66 1.828 10.742 0.193 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.340 11.039 -0.928 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.640 12.377 -1.168 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.712 11.243 -0.299 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.560 13.462 -1.675 1.00 0.00 C ATOM 0 H ILE A 66 -0.351 11.460 1.591 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.834 9.111 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.476 10.553 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.180 12.709 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.166 12.231 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.316 11.883 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.205 10.278 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.598 11.714 0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.993 14.381 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.000 13.152 -2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.352 13.637 -0.947 1.00 0.00 H new ATOM 1039 N GLY A 67 1.216 9.643 -1.670 1.00 0.00 N ATOM 1040 CA GLY A 67 2.552 9.636 -2.227 1.00 0.00 C ATOM 1041 C GLY A 67 2.953 10.976 -2.811 1.00 0.00 C ATOM 1042 O GLY A 67 3.336 11.057 -3.977 1.00 0.00 O ATOM 0 H GLY A 67 0.510 9.190 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.263 9.356 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.613 8.874 -3.004 1.00 0.00 H new ATOM 1046 N LEU A 68 2.870 12.029 -2.004 1.00 0.00 N ATOM 1047 CA LEU A 68 3.234 13.363 -2.464 1.00 0.00 C ATOM 1048 C LEU A 68 4.278 14.011 -1.560 1.00 0.00 C ATOM 1049 O LEU A 68 4.091 14.129 -0.350 1.00 0.00 O ATOM 1050 CB LEU A 68 1.995 14.261 -2.540 1.00 0.00 C ATOM 1051 CG LEU A 68 2.155 15.525 -3.392 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.043 16.546 -2.697 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.718 15.175 -4.755 1.00 0.00 C ATOM 0 H LEU A 68 2.556 11.985 -1.035 1.00 0.00 H new ATOM 0 HA LEU A 68 3.667 13.252 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.166 13.676 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.718 14.557 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 68 1.169 15.971 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.139 17.432 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.598 16.824 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.029 16.114 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.826 16.083 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.693 14.702 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.041 14.488 -5.263 1.00 0.00 H new ATOM 1065 N ARG A 69 5.359 14.464 -2.181 1.00 0.00 N ATOM 1066 CA ARG A 69 6.439 15.147 -1.482 1.00 0.00 C ATOM 1067 C ARG A 69 6.925 16.325 -2.324 1.00 0.00 C ATOM 1068 O ARG A 69 7.356 16.140 -3.461 1.00 0.00 O ATOM 1069 CB ARG A 69 7.590 14.177 -1.198 1.00 0.00 C ATOM 1070 CG ARG A 69 8.911 14.863 -0.889 1.00 0.00 C ATOM 1071 CD ARG A 69 9.990 14.466 -1.884 1.00 0.00 C ATOM 1072 NE ARG A 69 11.285 14.271 -1.238 1.00 0.00 N ATOM 1073 CZ ARG A 69 11.811 13.076 -0.987 1.00 0.00 C ATOM 1074 NH1 ARG A 69 11.155 11.974 -1.326 1.00 0.00 N ATOM 1075 NH2 ARG A 69 12.994 12.982 -0.396 1.00 0.00 N ATOM 0 H ARG A 69 5.512 14.368 -3.185 1.00 0.00 H new ATOM 0 HA ARG A 69 6.069 15.521 -0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.317 13.541 -0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.724 13.524 -2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.775 15.944 -0.910 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.231 14.602 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.696 13.547 -2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.079 15.237 -2.649 1.00 0.00 H new ATOM 0 HE ARG A 69 11.816 15.098 -0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.244 12.042 -1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.561 11.059 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.501 13.827 -0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.397 12.065 -0.204 1.00 0.00 H new ATOM 1089 N ASN A 70 6.857 17.533 -1.774 1.00 0.00 N ATOM 1090 CA ASN A 70 7.293 18.719 -2.506 1.00 0.00 C ATOM 1091 C ASN A 70 8.779 18.982 -2.283 1.00 0.00 C ATOM 1092 O ASN A 70 9.289 18.826 -1.174 1.00 0.00 O ATOM 1093 CB ASN A 70 6.465 19.940 -2.095 1.00 0.00 C ATOM 1094 CG ASN A 70 7.277 21.221 -2.082 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.510 21.812 -1.028 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.711 21.659 -3.259 1.00 0.00 N ATOM 0 H ASN A 70 6.508 17.717 -0.833 1.00 0.00 H new ATOM 0 HA ASN A 70 7.136 18.536 -3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.627 20.053 -2.782 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.044 19.771 -1.104 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.260 22.517 -3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.495 21.138 -4.109 1.00 0.00 H new ATOM 1196 N PHE A 77 5.432 19.917 -6.368 1.00 0.00 N ATOM 1197 CA PHE A 77 5.032 18.689 -5.699 1.00 0.00 C ATOM 1198 C PHE A 77 5.383 17.478 -6.555 1.00 0.00 C ATOM 1199 O PHE A 77 4.915 17.343 -7.686 1.00 0.00 O ATOM 1200 CB PHE A 77 3.524 18.691 -5.398 1.00 0.00 C ATOM 1201 CG PHE A 77 2.994 19.960 -4.770 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.828 21.036 -4.489 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.644 20.075 -4.469 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.329 22.193 -3.928 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.142 21.232 -3.905 1.00 0.00 C ATOM 1206 CZ PHE A 77 1.984 22.293 -3.637 1.00 0.00 C ATOM 0 HA PHE A 77 5.575 18.631 -4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.984 18.512 -6.328 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.301 17.856 -4.734 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.882 20.965 -4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.978 19.251 -4.678 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.991 23.020 -3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.090 21.307 -3.673 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.591 23.199 -3.201 1.00 0.00 H new ATOM 1216 N ILE A 78 6.211 16.604 -6.005 1.00 0.00 N ATOM 1217 CA ILE A 78 6.638 15.399 -6.697 1.00 0.00 C ATOM 1218 C ILE A 78 6.203 14.159 -5.926 1.00 0.00 C ATOM 1219 O ILE A 78 6.256 14.135 -4.701 1.00 0.00 O ATOM 1220 CB ILE A 78 8.171 15.383 -6.896 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.507 15.678 -8.367 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.767 14.056 -6.433 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.390 14.642 -9.039 1.00 0.00 C ATOM 0 H ILE A 78 6.605 16.709 -5.070 1.00 0.00 H new ATOM 0 HA ILE A 78 6.164 15.394 -7.678 1.00 0.00 H new ATOM 0 HB ILE A 78 8.619 16.164 -6.282 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.576 15.760 -8.928 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.001 16.648 -8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.846 14.070 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.550 13.909 -5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.331 13.240 -7.010 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.573 14.935 -10.073 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.339 14.574 -8.508 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.893 13.672 -9.019 1.00 0.00 H new ATOM 1235 N TRP A 79 5.775 13.133 -6.646 1.00 0.00 N ATOM 1236 CA TRP A 79 5.332 11.901 -6.010 1.00 0.00 C ATOM 1237 C TRP A 79 6.520 11.101 -5.496 1.00 0.00 C ATOM 1238 O TRP A 79 7.612 11.158 -6.062 1.00 0.00 O ATOM 1239 CB TRP A 79 4.527 11.040 -6.992 1.00 0.00 C ATOM 1240 CG TRP A 79 3.262 11.683 -7.482 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.772 12.910 -7.139 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.328 11.125 -8.414 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.589 13.147 -7.798 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.296 12.067 -8.587 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.264 9.920 -9.120 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.214 11.841 -9.434 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.190 9.697 -9.961 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.178 10.653 -10.112 1.00 0.00 C ATOM 0 H TRP A 79 5.725 13.128 -7.665 1.00 0.00 H new ATOM 0 HA TRP A 79 4.695 12.175 -5.169 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.156 10.803 -7.850 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.277 10.095 -6.509 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.245 13.595 -6.450 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.022 13.990 -7.713 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.040 9.177 -9.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.568 12.576 -9.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.130 8.770 -10.511 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.648 10.448 -10.777 1.00 0.00 H new ATOM 1259 N VAL A 80 6.297 10.353 -4.421 1.00 0.00 N ATOM 1260 CA VAL A 80 7.340 9.528 -3.825 1.00 0.00 C ATOM 1261 C VAL A 80 7.859 8.513 -4.840 1.00 0.00 C ATOM 1262 O VAL A 80 8.989 8.031 -4.739 1.00 0.00 O ATOM 1263 CB VAL A 80 6.806 8.783 -2.583 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.393 8.295 -2.838 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.717 7.626 -2.194 1.00 0.00 C ATOM 0 H VAL A 80 5.398 10.302 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 80 8.155 10.185 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 80 6.792 9.481 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.025 7.771 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.747 9.147 -3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.391 7.616 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.312 7.123 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.780 6.918 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.712 8.007 -1.967 1.00 0.00 H new ATOM 1275 N ASP A 81 7.021 8.201 -5.822 1.00 0.00 N ATOM 1276 CA ASP A 81 7.382 7.249 -6.865 1.00 0.00 C ATOM 1277 C ASP A 81 8.306 7.897 -7.889 1.00 0.00 C ATOM 1278 O ASP A 81 8.745 7.254 -8.844 1.00 0.00 O ATOM 1279 CB ASP A 81 6.126 6.718 -7.559 1.00 0.00 C ATOM 1280 CG ASP A 81 6.385 5.432 -8.319 1.00 0.00 C ATOM 1281 OD1 ASP A 81 6.555 4.381 -7.667 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.417 5.477 -9.567 1.00 0.00 O ATOM 0 H ASP A 81 6.085 8.595 -5.917 1.00 0.00 H new ATOM 0 HA ASP A 81 7.908 6.416 -6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.348 6.547 -6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.748 7.474 -8.247 1.00 0.00 H new ATOM 1287 N GLY A 82 8.603 9.174 -7.676 1.00 0.00 N ATOM 1288 CA GLY A 82 9.477 9.895 -8.575 1.00 0.00 C ATOM 1289 C GLY A 82 8.754 10.429 -9.797 1.00 0.00 C ATOM 1290 O GLY A 82 9.332 10.503 -10.881 1.00 0.00 O ATOM 0 H GLY A 82 8.251 9.723 -6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.937 10.725 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.284 9.236 -8.895 1.00 0.00 H new ATOM 1294 N SER A 83 7.489 10.801 -9.625 1.00 0.00 N ATOM 1295 CA SER A 83 6.696 11.330 -10.731 1.00 0.00 C ATOM 1296 C SER A 83 5.956 12.601 -10.321 1.00 0.00 C ATOM 1297 O SER A 83 5.178 12.594 -9.374 1.00 0.00 O ATOM 1298 CB SER A 83 5.697 10.279 -11.218 1.00 0.00 C ATOM 1299 OG SER A 83 5.859 10.026 -12.603 1.00 0.00 O ATOM 0 H SER A 83 6.993 10.747 -8.736 1.00 0.00 H new ATOM 0 HA SER A 83 7.379 11.579 -11.543 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.835 9.354 -10.657 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.680 10.621 -11.024 1.00 0.00 H new ATOM 0 HG SER A 83 5.210 9.350 -12.890 1.00 0.00 H new ATOM 1305 N HIS A 84 6.202 13.689 -11.042 1.00 0.00 N ATOM 1306 CA HIS A 84 5.554 14.962 -10.749 1.00 0.00 C ATOM 1307 C HIS A 84 4.035 14.827 -10.805 1.00 0.00 C ATOM 1308 O HIS A 84 3.501 14.048 -11.595 1.00 0.00 O ATOM 1309 CB HIS A 84 6.019 16.035 -11.735 1.00 0.00 C ATOM 1310 CG HIS A 84 5.948 15.603 -13.167 1.00 0.00 C ATOM 1311 ND1 HIS A 84 4.801 15.705 -13.929 1.00 0.00 N ATOM 1312 CD2 HIS A 84 6.890 15.066 -13.979 1.00 0.00 C ATOM 1313 CE1 HIS A 84 5.041 15.249 -15.145 1.00 0.00 C ATOM 1314 NE2 HIS A 84 6.299 14.855 -15.201 1.00 0.00 N ATOM 0 H HIS A 84 6.845 13.715 -11.833 1.00 0.00 H new ATOM 0 HA HIS A 84 5.837 15.260 -9.739 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.408 16.928 -11.603 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.046 16.314 -11.499 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.914 14.845 -13.715 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.329 15.206 -15.956 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.759 14.458 -16.020 1.00 0.00 H new ATOM 1323 N VAL A 85 3.350 15.591 -9.960 1.00 0.00 N ATOM 1324 CA VAL A 85 1.891 15.564 -9.905 1.00 0.00 C ATOM 1325 C VAL A 85 1.284 15.769 -11.290 1.00 0.00 C ATOM 1326 O VAL A 85 1.854 16.463 -12.131 1.00 0.00 O ATOM 1327 CB VAL A 85 1.345 16.644 -8.950 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.168 16.566 -8.857 1.00 0.00 C ATOM 1329 CG2 VAL A 85 1.970 16.506 -7.572 1.00 0.00 C ATOM 0 H VAL A 85 3.783 16.239 -9.302 1.00 0.00 H new ATOM 0 HA VAL A 85 1.606 14.581 -9.530 1.00 0.00 H new ATOM 0 HB VAL A 85 1.613 17.620 -9.354 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.531 17.337 -8.178 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.602 16.719 -9.845 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.459 15.585 -8.481 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.572 17.277 -6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.736 15.523 -7.163 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.051 16.619 -7.650 1.00 0.00 H new ATOM 1339 N ASP A 86 0.125 15.158 -11.521 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.556 15.273 -12.806 1.00 0.00 C ATOM 1341 C ASP A 86 -1.991 15.761 -12.630 1.00 0.00 C ATOM 1342 O ASP A 86 -2.586 16.305 -13.560 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.551 13.924 -13.529 1.00 0.00 C ATOM 1344 CG ASP A 86 0.846 13.481 -13.916 1.00 0.00 C ATOM 1345 OD1 ASP A 86 1.416 14.071 -14.859 1.00 0.00 O ATOM 1346 OD2 ASP A 86 1.371 12.545 -13.278 1.00 0.00 O ATOM 0 H ASP A 86 -0.361 14.579 -10.836 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.017 16.006 -13.406 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.004 13.169 -12.886 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.169 13.992 -14.424 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.545 15.562 -11.437 1.00 0.00 N ATOM 1352 CA TYR A 87 -3.913 15.984 -11.154 1.00 0.00 C ATOM 1353 C TYR A 87 -3.962 16.962 -9.986 1.00 0.00 C ATOM 1354 O TYR A 87 -4.541 18.043 -10.095 1.00 0.00 O ATOM 1355 CB TYR A 87 -4.795 14.768 -10.854 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.131 13.947 -12.079 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -4.240 13.000 -12.568 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -6.338 14.120 -12.745 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -4.544 12.248 -13.688 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -6.648 13.371 -13.864 1.00 0.00 C ATOM 1361 CZ TYR A 87 -5.748 12.437 -14.331 1.00 0.00 C ATOM 1362 OH TYR A 87 -6.054 11.689 -15.446 1.00 0.00 O ATOM 0 H TYR A 87 -2.070 15.113 -10.654 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.293 16.493 -12.040 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.288 14.132 -10.128 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.721 15.107 -10.389 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.296 12.849 -12.066 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.045 14.851 -12.382 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.841 11.516 -14.057 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.591 13.517 -14.370 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.940 11.944 -15.778 1.00 0.00 H new ATOM 1372 N SER A 88 -3.350 16.570 -8.871 1.00 0.00 N ATOM 1373 CA SER A 88 -3.318 17.399 -7.665 1.00 0.00 C ATOM 1374 C SER A 88 -4.730 17.661 -7.145 1.00 0.00 C ATOM 1375 O SER A 88 -5.684 17.719 -7.920 1.00 0.00 O ATOM 1376 CB SER A 88 -2.601 18.726 -7.930 1.00 0.00 C ATOM 1377 OG SER A 88 -2.125 18.802 -9.263 1.00 0.00 O ATOM 0 H SER A 88 -2.866 15.677 -8.776 1.00 0.00 H new ATOM 0 HA SER A 88 -2.763 16.852 -6.903 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.283 19.554 -7.738 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.766 18.834 -7.238 1.00 0.00 H new ATOM 0 HG SER A 88 -1.674 19.661 -9.401 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.866 17.798 -5.829 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.175 18.028 -5.232 1.00 0.00 C ATOM 1385 C ASN A 89 -6.147 19.088 -4.125 1.00 0.00 C ATOM 1386 O ASN A 89 -7.203 19.455 -3.610 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.722 16.716 -4.671 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.170 15.754 -5.750 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.447 16.151 -6.881 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.246 14.476 -5.400 1.00 0.00 N ATOM 0 H ASN A 89 -4.094 17.754 -5.163 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.824 18.406 -6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.954 16.239 -4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.563 16.931 -4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.544 13.778 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.006 14.192 -4.450 1.00 0.00 H new ATOM 1592 N CYS A 104 4.716 18.312 2.187 1.00 0.00 N ATOM 1593 CA CYS A 104 3.925 17.109 1.950 1.00 0.00 C ATOM 1594 C CYS A 104 2.440 17.443 1.837 1.00 0.00 C ATOM 1595 O CYS A 104 1.991 18.504 2.276 1.00 0.00 O ATOM 1596 CB CYS A 104 4.145 16.095 3.075 1.00 0.00 C ATOM 1597 SG CYS A 104 3.831 16.754 4.744 1.00 0.00 S ATOM 0 HA CYS A 104 4.254 16.673 1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.495 15.236 2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 104 5.172 15.732 3.027 1.00 0.00 H new ATOM 0 HG CYS A 104 4.042 15.822 5.625 1.00 0.00 H new ATOM 1602 N VAL A 105 1.682 16.529 1.242 1.00 0.00 N ATOM 1603 CA VAL A 105 0.252 16.723 1.069 1.00 0.00 C ATOM 1604 C VAL A 105 -0.547 15.746 1.924 1.00 0.00 C ATOM 1605 O VAL A 105 -0.221 14.563 2.017 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.158 16.571 -0.408 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.668 16.487 -0.550 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.376 17.736 -1.219 1.00 0.00 C ATOM 0 H VAL A 105 2.036 15.647 0.872 1.00 0.00 H new ATOM 0 HA VAL A 105 0.027 17.739 1.394 1.00 0.00 H new ATOM 0 HB VAL A 105 0.272 15.643 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.929 16.380 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.038 15.625 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.122 17.396 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.081 17.619 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.032 18.668 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.464 17.759 -1.150 1.00 0.00 H new ATOM 1618 N MET A 106 -1.599 16.263 2.542 1.00 0.00 N ATOM 1619 CA MET A 106 -2.472 15.473 3.394 1.00 0.00 C ATOM 1620 C MET A 106 -3.885 15.472 2.828 1.00 0.00 C ATOM 1621 O MET A 106 -4.188 16.228 1.915 1.00 0.00 O ATOM 1622 CB MET A 106 -2.479 16.034 4.818 1.00 0.00 C ATOM 1623 CG MET A 106 -2.882 17.497 4.896 1.00 0.00 C ATOM 1624 SD MET A 106 -3.264 18.025 6.578 1.00 0.00 S ATOM 1625 CE MET A 106 -4.893 17.311 6.794 1.00 0.00 C ATOM 0 H MET A 106 -1.871 17.243 2.466 1.00 0.00 H new ATOM 0 HA MET A 106 -2.098 14.450 3.425 1.00 0.00 H new ATOM 0 HB2 MET A 106 -3.164 15.445 5.428 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.485 15.916 5.250 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.075 18.114 4.501 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.752 17.664 4.261 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.630 18.108 6.890 1.00 0.00 H new ATOM 0 HE2 MET A 106 -5.137 16.693 5.930 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.904 16.696 7.694 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.695 16.894 -0.889 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.343 17.048 -0.374 1.00 0.00 C ATOM 1727 C TRP A 113 -6.131 18.430 0.199 1.00 0.00 C ATOM 1728 O TRP A 113 -6.843 19.377 -0.127 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.298 16.905 -1.476 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.191 15.570 -2.125 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -6.013 14.490 -1.993 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.177 15.200 -3.053 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.563 13.465 -2.793 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.431 13.878 -3.452 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.073 15.873 -3.581 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.616 13.209 -4.363 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.264 15.212 -4.485 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.539 13.891 -4.869 1.00 0.00 C ATOM 0 HA TRP A 113 -6.230 16.272 0.383 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.515 17.643 -2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.324 17.159 -1.057 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.885 14.446 -1.357 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.999 12.547 -2.882 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.856 16.890 -3.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -3.825 12.192 -4.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.407 15.720 -4.902 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.889 13.401 -5.578 1.00 0.00 H new ATOM 1749 N ASN A 114 -5.087 18.541 0.993 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.681 19.803 1.553 1.00 0.00 C ATOM 1751 C ASN A 114 -3.160 19.845 1.552 1.00 0.00 C ATOM 1752 O ASN A 114 -2.505 18.999 2.161 1.00 0.00 O ATOM 1753 CB ASN A 114 -5.219 19.972 2.977 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.600 19.370 3.149 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.596 19.932 2.694 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -6.665 18.220 3.811 1.00 0.00 N ATOM 0 H ASN A 114 -4.498 17.754 1.266 1.00 0.00 H new ATOM 0 HA ASN A 114 -5.086 20.620 0.956 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.531 19.503 3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -5.255 21.033 3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -7.567 17.767 3.959 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -5.813 17.790 4.171 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.606 20.821 0.854 1.00 0.00 N ATOM 1764 CA ASP A 115 -1.165 20.965 0.756 1.00 0.00 C ATOM 1765 C ASP A 115 -0.631 21.863 1.865 1.00 0.00 C ATOM 1766 O ASP A 115 -1.080 22.997 2.032 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.793 21.535 -0.612 1.00 0.00 C ATOM 1768 CG ASP A 115 0.708 21.647 -0.787 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.367 20.600 -0.950 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.225 22.784 -0.758 1.00 0.00 O ATOM 0 H ASP A 115 -3.136 21.528 0.345 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.710 19.981 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.203 20.897 -1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.247 22.519 -0.731 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.911 11.139 10.994 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.939 10.076 11.982 1.00 0.00 C ATOM 1893 C GLY A 123 -4.109 8.703 11.358 1.00 0.00 C ATOM 1894 O GLY A 123 -4.561 7.767 12.018 1.00 0.00 O ATOM 0 HA2 GLY A 123 -3.014 10.097 12.559 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.755 10.257 12.681 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.746 8.584 10.085 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.860 7.317 9.371 1.00 0.00 C ATOM 1900 C ALA A 124 -2.773 7.192 8.311 1.00 0.00 C ATOM 1901 O ALA A 124 -2.518 8.134 7.562 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.237 7.190 8.738 1.00 0.00 C ATOM 0 H ALA A 124 -3.370 9.350 9.526 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.729 6.507 10.088 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.308 6.240 8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.000 7.230 9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.392 8.009 8.036 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.143 6.020 8.239 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.093 5.782 7.259 1.00 0.00 C ATOM 1910 C TRP A 125 -1.616 4.893 6.145 1.00 0.00 C ATOM 1911 O TRP A 125 -2.192 3.835 6.402 1.00 0.00 O ATOM 1912 CB TRP A 125 0.134 5.144 7.916 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.197 3.988 8.809 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.598 4.049 10.111 1.00 0.00 C ATOM 1915 CD2 TRP A 125 -0.150 2.599 8.467 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.808 2.783 10.600 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.539 1.875 9.610 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.180 1.896 7.305 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.606 0.484 9.625 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.114 0.515 7.321 1.00 0.00 C ATOM 1921 CH2 TRP A 125 -0.277 -0.178 8.474 1.00 0.00 C ATOM 0 H TRP A 125 -2.343 5.226 8.847 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.791 6.741 6.838 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.818 4.807 7.138 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.660 5.902 8.497 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.731 4.960 10.675 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.114 2.556 11.546 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.481 2.422 6.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.907 -0.052 10.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 0.368 -0.039 6.429 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -0.320 -1.257 8.454 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.436 5.333 4.908 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.918 4.572 3.774 1.00 0.00 C ATOM 1934 C VAL A 126 -0.843 4.381 2.708 1.00 0.00 C ATOM 1935 O VAL A 126 -0.208 5.333 2.255 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.159 5.241 3.148 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.157 6.737 3.414 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.237 4.958 1.659 1.00 0.00 C ATOM 0 H VAL A 126 -0.964 6.205 4.669 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.193 3.588 4.153 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.045 4.813 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -4.041 7.188 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.167 6.915 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.262 7.182 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.121 5.441 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.345 5.347 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.301 3.882 1.496 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.680 3.131 2.305 1.00 0.00 N ATOM 1949 CA CYS A 127 0.273 2.742 1.274 1.00 0.00 C ATOM 1950 C CYS A 127 -0.376 1.680 0.399 1.00 0.00 C ATOM 1951 O CYS A 127 -1.388 1.098 0.785 1.00 0.00 O ATOM 1952 CB CYS A 127 1.574 2.209 1.872 1.00 0.00 C ATOM 1953 SG CYS A 127 2.419 3.369 2.990 1.00 0.00 S ATOM 0 H CYS A 127 -1.211 2.348 2.688 1.00 0.00 H new ATOM 0 HA CYS A 127 0.531 3.621 0.683 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.359 1.290 2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.252 1.947 1.060 1.00 0.00 H new ATOM 1958 N ASP A 128 0.181 1.429 -0.772 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.389 0.436 -1.662 1.00 0.00 C ATOM 1960 C ASP A 128 0.642 -0.600 -2.070 1.00 0.00 C ATOM 1961 O ASP A 128 1.815 -0.291 -2.262 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.964 1.110 -2.906 1.00 0.00 C ATOM 1963 CG ASP A 128 0.083 1.890 -3.678 1.00 0.00 C ATOM 1964 OD1 ASP A 128 0.627 2.865 -3.120 1.00 0.00 O ATOM 1965 OD2 ASP A 128 0.358 1.524 -4.840 1.00 0.00 O ATOM 0 H ASP A 128 1.018 1.893 -1.125 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.188 -0.073 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.402 0.353 -3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.770 1.782 -2.612 1.00 0.00 H new ATOM 1970 N ARG A 129 0.176 -1.829 -2.207 1.00 0.00 N ATOM 1971 CA ARG A 129 1.023 -2.945 -2.597 1.00 0.00 C ATOM 1972 C ARG A 129 0.187 -4.027 -3.263 1.00 0.00 C ATOM 1973 O ARG A 129 -1.036 -4.048 -3.127 1.00 0.00 O ATOM 1974 CB ARG A 129 1.743 -3.522 -1.376 1.00 0.00 C ATOM 1975 CG ARG A 129 0.814 -4.219 -0.393 1.00 0.00 C ATOM 1976 CD ARG A 129 1.231 -5.662 -0.162 1.00 0.00 C ATOM 1977 NE ARG A 129 1.300 -5.989 1.259 1.00 0.00 N ATOM 1978 CZ ARG A 129 1.966 -7.034 1.744 1.00 0.00 C ATOM 1979 NH1 ARG A 129 2.618 -7.848 0.925 1.00 0.00 N ATOM 1980 NH2 ARG A 129 1.981 -7.264 3.050 1.00 0.00 N ATOM 0 H ARG A 129 -0.800 -2.082 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 129 1.769 -2.583 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.500 -4.231 -1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.267 -2.717 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.817 -3.682 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -0.207 -4.190 -0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.522 -6.328 -0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.204 -5.837 -0.622 1.00 0.00 H new ATOM 0 HE ARG A 129 0.810 -5.383 1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 129 2.610 -7.674 -0.080 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.128 -8.648 1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.482 -6.640 3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.492 -8.065 3.421 1.00 0.00 H new ATOM 1994 N LEU A 130 0.846 -4.924 -3.980 1.00 0.00 N ATOM 1995 CA LEU A 130 0.148 -6.005 -4.660 1.00 0.00 C ATOM 1996 C LEU A 130 -0.387 -7.020 -3.657 1.00 0.00 C ATOM 1997 O LEU A 130 0.326 -7.443 -2.745 1.00 0.00 O ATOM 1998 CB LEU A 130 1.078 -6.687 -5.666 1.00 0.00 C ATOM 1999 CG LEU A 130 1.161 -6.018 -7.046 1.00 0.00 C ATOM 2000 CD1 LEU A 130 0.379 -6.823 -8.073 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.652 -4.581 -6.997 1.00 0.00 C ATOM 0 H LEU A 130 1.858 -4.926 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.699 -5.580 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.080 -6.726 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.748 -7.717 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 130 2.209 -5.992 -7.343 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.447 -6.336 -9.046 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.795 -7.828 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.666 -6.882 -7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.724 -4.135 -7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.388 -4.574 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.256 -4.005 -6.296 1.00 0.00 H new