USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 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 -125:sc= -0.202 (180deg=-0.364) USER MOD Set 1.2: A 114 ASN : amide:sc= -0.143 K(o=-0.34,f=-1.2) USER MOD Set 2.1: A 52 GLN :FLIP amide:sc= -0.688 F(o=-1.9!,f=-0.65) USER MOD Set 2.2: A 56 THR OG1 : rot 132:sc= 0.0345 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.865 X(o=-0.86,f=-0.4) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -1.82 USER MOD Single : A 20 TYR OH : rot 103:sc= 0.732 USER MOD Single : A 21 TYR OH : rot -63:sc= 0.0136 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=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= -0.038 K(o=-0.038,f=-0.72) USER MOD Single : A 45 SER OG : rot -106:sc= 1.37 USER MOD Single : A 47 HIS : no HD1:sc= -1.96 X(o=-2,f=-2.2) USER MOD Single : A 48 SER OG : rot -170:sc= -0.262 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.69! C(o=-2.7!,f=-4.6!) USER MOD Single : A 64 SER OG : rot -100:sc= -0.136 USER MOD Single : A 70 ASN : amide:sc= -0.0435 X(o=-0.043,f=-0.53) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0.159 K(o=0.16,f=-1.1) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -143:sc= -0.435 USER MOD Single : A 89 ASN : amide:sc= -3.04! C(o=-3!,f=-2.7!) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.759 -2.048 6.167 1.00 0.00 N ATOM 135 CA LYS A 11 -9.262 -0.855 5.493 1.00 0.00 C ATOM 136 C LYS A 11 -8.634 -1.230 4.157 1.00 0.00 C ATOM 137 O LYS A 11 -9.168 -0.904 3.099 1.00 0.00 O ATOM 138 CB LYS A 11 -8.240 -0.139 6.373 1.00 0.00 C ATOM 139 CG LYS A 11 -8.770 0.217 7.753 1.00 0.00 C ATOM 140 CD LYS A 11 -7.721 -0.011 8.829 1.00 0.00 C ATOM 141 CE LYS A 11 -8.331 0.029 10.220 1.00 0.00 C ATOM 142 NZ LYS A 11 -8.449 1.420 10.735 1.00 0.00 N ATOM 0 HA LYS A 11 -10.099 -0.181 5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.360 -0.773 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.916 0.773 5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.084 1.261 7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.653 -0.384 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.239 -0.976 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.945 0.750 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.317 -0.434 10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.718 -0.560 10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.870 1.404 11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.505 1.854 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.055 1.976 10.098 1.00 0.00 H new ATOM 155 N TRP A 12 -7.503 -1.930 4.225 1.00 0.00 N ATOM 156 CA TRP A 12 -6.792 -2.377 3.028 1.00 0.00 C ATOM 157 C TRP A 12 -7.787 -2.840 1.963 1.00 0.00 C ATOM 158 O TRP A 12 -8.737 -3.562 2.268 1.00 0.00 O ATOM 159 CB TRP A 12 -5.822 -3.522 3.363 1.00 0.00 C ATOM 160 CG TRP A 12 -5.057 -3.354 4.652 1.00 0.00 C ATOM 161 CD1 TRP A 12 -5.022 -2.256 5.467 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.205 -4.329 5.268 1.00 0.00 C ATOM 163 NE1 TRP A 12 -4.212 -2.493 6.549 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.697 -3.757 6.450 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.824 -5.633 4.935 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.830 -4.442 7.297 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.963 -6.312 5.777 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.475 -5.715 6.946 1.00 0.00 C ATOM 0 H TRP A 12 -7.057 -2.201 5.101 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.218 -1.535 2.642 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.386 -4.453 3.412 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.108 -3.624 2.545 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.555 -1.335 5.285 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -4.024 -1.834 7.305 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.196 -6.101 4.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.451 -3.984 8.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.662 -7.319 5.529 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.804 -6.272 7.584 1.00 0.00 H new ATOM 179 N ILE A 13 -7.584 -2.406 0.719 1.00 0.00 N ATOM 180 CA ILE A 13 -8.492 -2.768 -0.369 1.00 0.00 C ATOM 181 C ILE A 13 -7.752 -3.303 -1.597 1.00 0.00 C ATOM 182 O ILE A 13 -6.855 -2.652 -2.125 1.00 0.00 O ATOM 183 CB ILE A 13 -9.349 -1.561 -0.803 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.133 -0.376 0.156 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.814 -1.962 -0.866 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.402 0.353 0.553 1.00 0.00 C ATOM 0 H ILE A 13 -6.806 -1.808 0.441 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.130 -3.559 0.026 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.040 -1.242 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.641 -0.740 1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.453 0.335 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.413 -1.105 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.940 -2.769 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.141 -2.300 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.155 1.172 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.886 0.752 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.078 -0.340 1.054 1.00 0.00 H new ATOM 198 N ASN A 14 -8.154 -4.487 -2.054 1.00 0.00 N ATOM 199 CA ASN A 14 -7.544 -5.113 -3.227 1.00 0.00 C ATOM 200 C ASN A 14 -8.463 -5.004 -4.442 1.00 0.00 C ATOM 201 O ASN A 14 -9.685 -4.940 -4.303 1.00 0.00 O ATOM 202 CB ASN A 14 -7.222 -6.581 -2.945 1.00 0.00 C ATOM 203 CG ASN A 14 -6.816 -7.336 -4.196 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.557 -8.185 -4.691 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.631 -7.031 -4.712 1.00 0.00 N ATOM 0 H ASN A 14 -8.902 -5.035 -1.629 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.616 -4.584 -3.446 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.417 -6.639 -2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.093 -7.062 -2.501 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.303 -7.508 -5.552 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.049 -6.320 -4.268 1.00 0.00 H new ATOM 212 N PHE A 15 -7.869 -4.979 -5.633 1.00 0.00 N ATOM 213 CA PHE A 15 -8.638 -4.874 -6.868 1.00 0.00 C ATOM 214 C PHE A 15 -8.235 -5.968 -7.858 1.00 0.00 C ATOM 215 O PHE A 15 -8.177 -7.144 -7.498 1.00 0.00 O ATOM 216 CB PHE A 15 -8.443 -3.490 -7.496 1.00 0.00 C ATOM 217 CG PHE A 15 -8.381 -2.377 -6.490 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.540 -1.757 -6.049 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.164 -1.950 -5.986 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.484 -0.733 -5.123 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.101 -0.926 -5.061 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.263 -0.317 -4.628 1.00 0.00 C ATOM 0 H PHE A 15 -6.859 -5.030 -5.768 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.692 -5.007 -6.626 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.523 -3.492 -8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.261 -3.296 -8.190 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.497 -2.078 -6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.253 -2.423 -6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.394 -0.258 -4.786 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.145 -0.602 -4.677 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.217 0.483 -3.904 1.00 0.00 H new ATOM 232 N GLN A 16 -7.960 -5.577 -9.104 1.00 0.00 N ATOM 233 CA GLN A 16 -7.565 -6.529 -10.136 1.00 0.00 C ATOM 234 C GLN A 16 -6.444 -7.436 -9.641 1.00 0.00 C ATOM 235 O GLN A 16 -6.508 -8.657 -9.796 1.00 0.00 O ATOM 236 CB GLN A 16 -7.119 -5.789 -11.399 1.00 0.00 C ATOM 237 CG GLN A 16 -6.234 -4.586 -11.121 1.00 0.00 C ATOM 238 CD GLN A 16 -5.913 -3.796 -12.374 1.00 0.00 C ATOM 239 OE1 GLN A 16 -5.179 -4.262 -13.246 1.00 0.00 O ATOM 240 NE2 GLN A 16 -6.462 -2.591 -12.471 1.00 0.00 N ATOM 0 H GLN A 16 -8.004 -4.608 -9.420 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.430 -7.148 -10.373 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.581 -6.483 -12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.002 -5.461 -11.948 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.729 -3.934 -10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.305 -4.922 -10.660 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.064 -2.243 -11.725 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.281 -2.013 -13.292 1.00 0.00 H new ATOM 249 N ARG A 17 -5.422 -6.835 -9.041 1.00 0.00 N ATOM 250 CA ARG A 17 -4.292 -7.594 -8.520 1.00 0.00 C ATOM 251 C ARG A 17 -3.446 -6.745 -7.578 1.00 0.00 C ATOM 252 O ARG A 17 -2.450 -7.217 -7.029 1.00 0.00 O ATOM 253 CB ARG A 17 -3.428 -8.125 -9.665 1.00 0.00 C ATOM 254 CG ARG A 17 -3.052 -7.063 -10.686 1.00 0.00 C ATOM 255 CD ARG A 17 -1.560 -6.770 -10.659 1.00 0.00 C ATOM 256 NE ARG A 17 -1.177 -5.789 -11.672 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.405 -6.071 -12.717 1.00 0.00 C ATOM 258 NH1 ARG A 17 0.064 -7.300 -12.887 1.00 0.00 N ATOM 259 NH2 ARG A 17 -0.101 -5.124 -13.593 1.00 0.00 N ATOM 0 H ARG A 17 -5.353 -5.827 -8.904 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.690 -8.438 -7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.517 -8.558 -9.251 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.963 -8.929 -10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.341 -7.396 -11.683 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.608 -6.148 -10.482 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.281 -6.400 -9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.006 -7.694 -10.822 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.521 -4.834 -11.572 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.167 -8.032 -12.215 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.656 -7.513 -13.690 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.459 -4.178 -13.466 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.491 -5.342 -14.394 1.00 0.00 H new ATOM 273 N LYS A 18 -3.856 -5.498 -7.385 1.00 0.00 N ATOM 274 CA LYS A 18 -3.153 -4.590 -6.505 1.00 0.00 C ATOM 275 C LYS A 18 -4.027 -4.255 -5.310 1.00 0.00 C ATOM 276 O LYS A 18 -5.248 -4.370 -5.373 1.00 0.00 O ATOM 277 CB LYS A 18 -2.776 -3.313 -7.251 1.00 0.00 C ATOM 278 CG LYS A 18 -3.932 -2.341 -7.399 1.00 0.00 C ATOM 279 CD LYS A 18 -3.835 -1.553 -8.695 1.00 0.00 C ATOM 280 CE LYS A 18 -3.991 -0.061 -8.451 1.00 0.00 C ATOM 281 NZ LYS A 18 -3.236 0.747 -9.448 1.00 0.00 N ATOM 0 H LYS A 18 -4.679 -5.095 -7.833 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.239 -5.072 -6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.960 -2.819 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.402 -3.575 -8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.874 -2.888 -7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.941 -1.653 -6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.873 -1.747 -9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.606 -1.892 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.047 0.205 -8.493 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.641 0.181 -7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.368 1.759 -9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.224 0.512 -9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.587 0.535 -10.404 1.00 0.00 H new ATOM 294 N CYS A 19 -3.402 -3.846 -4.224 1.00 0.00 N ATOM 295 CA CYS A 19 -4.134 -3.501 -3.020 1.00 0.00 C ATOM 296 C CYS A 19 -3.701 -2.147 -2.487 1.00 0.00 C ATOM 297 O CYS A 19 -2.648 -1.623 -2.850 1.00 0.00 O ATOM 298 CB CYS A 19 -3.935 -4.580 -1.948 1.00 0.00 C ATOM 299 SG CYS A 19 -4.952 -4.349 -0.452 1.00 0.00 S ATOM 0 H CYS A 19 -2.390 -3.744 -4.150 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.193 -3.444 -3.273 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.164 -5.553 -2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.884 -4.599 -1.659 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.712 -5.311 0.389 1.00 0.00 H new ATOM 304 N TYR A 20 -4.524 -1.601 -1.611 1.00 0.00 N ATOM 305 CA TYR A 20 -4.259 -0.320 -0.989 1.00 0.00 C ATOM 306 C TYR A 20 -4.296 -0.494 0.512 1.00 0.00 C ATOM 307 O TYR A 20 -4.945 -1.399 1.033 1.00 0.00 O ATOM 308 CB TYR A 20 -5.286 0.737 -1.421 1.00 0.00 C ATOM 309 CG TYR A 20 -4.943 1.445 -2.716 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.369 0.761 -3.780 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.196 2.803 -2.871 1.00 0.00 C ATOM 312 CE1 TYR A 20 -4.056 1.409 -4.961 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.888 3.457 -4.048 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.318 2.757 -5.089 1.00 0.00 C ATOM 315 OH TYR A 20 -4.009 3.405 -6.263 1.00 0.00 O ATOM 0 H TYR A 20 -5.397 -2.036 -1.311 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.276 0.029 -1.306 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.259 0.259 -1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.382 1.479 -0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.164 -0.295 -3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.641 3.356 -2.057 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.609 0.863 -5.778 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.093 4.512 -4.152 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.827 3.549 -6.782 1.00 0.00 H new ATOM 325 N TYR A 21 -3.585 0.368 1.191 1.00 0.00 N ATOM 326 CA TYR A 21 -3.503 0.330 2.635 1.00 0.00 C ATOM 327 C TYR A 21 -4.090 1.589 3.217 1.00 0.00 C ATOM 328 O TYR A 21 -3.553 2.660 3.014 1.00 0.00 O ATOM 329 CB TYR A 21 -2.045 0.218 3.086 1.00 0.00 C ATOM 330 CG TYR A 21 -1.504 -1.188 3.111 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.699 -2.000 4.216 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.786 -1.701 2.036 1.00 0.00 C ATOM 333 CE1 TYR A 21 -1.200 -3.282 4.257 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.279 -2.985 2.065 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.489 -3.774 3.180 1.00 0.00 C ATOM 336 OH TYR A 21 0.012 -5.055 3.217 1.00 0.00 O ATOM 0 H TYR A 21 -3.044 1.119 0.761 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.061 -0.539 2.984 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.425 0.820 2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.953 0.647 4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.253 -1.620 5.062 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.622 -1.085 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.364 -3.900 5.127 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.277 -3.370 1.223 1.00 0.00 H new ATOM 0 HH TYR A 21 0.671 -5.128 3.939 1.00 0.00 H new ATOM 346 N PHE A 22 -5.173 1.467 3.951 1.00 0.00 N ATOM 347 CA PHE A 22 -5.783 2.623 4.574 1.00 0.00 C ATOM 348 C PHE A 22 -5.869 2.372 6.070 1.00 0.00 C ATOM 349 O PHE A 22 -6.941 2.455 6.670 1.00 0.00 O ATOM 350 CB PHE A 22 -7.180 2.889 3.997 1.00 0.00 C ATOM 351 CG PHE A 22 -7.212 3.147 2.510 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.122 3.698 1.857 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.343 2.843 1.768 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.156 3.940 0.495 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.383 3.081 0.404 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.288 3.631 -0.233 1.00 0.00 C ATOM 0 H PHE A 22 -5.649 0.583 4.132 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.174 3.505 4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.818 2.033 4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.612 3.748 4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.233 3.942 2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.204 2.415 2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.297 4.371 0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.270 2.837 -0.161 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.317 3.819 -1.296 1.00 0.00 H new ATOM 366 N GLY A 23 -4.726 2.034 6.661 1.00 0.00 N ATOM 367 CA GLY A 23 -4.682 1.734 8.074 1.00 0.00 C ATOM 368 C GLY A 23 -4.472 2.970 8.929 1.00 0.00 C ATOM 369 O GLY A 23 -4.428 4.087 8.414 1.00 0.00 O ATOM 0 H GLY A 23 -3.829 1.964 6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.613 1.248 8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.878 1.024 8.266 1.00 0.00 H new ATOM 373 N LYS A 24 -4.343 2.772 10.238 1.00 0.00 N ATOM 374 CA LYS A 24 -4.138 3.883 11.161 1.00 0.00 C ATOM 375 C LYS A 24 -2.729 3.861 11.748 1.00 0.00 C ATOM 376 O LYS A 24 -2.248 2.819 12.193 1.00 0.00 O ATOM 377 CB LYS A 24 -5.172 3.834 12.288 1.00 0.00 C ATOM 378 CG LYS A 24 -5.285 2.470 12.950 1.00 0.00 C ATOM 379 CD LYS A 24 -6.181 2.520 14.178 1.00 0.00 C ATOM 380 CE LYS A 24 -5.368 2.514 15.462 1.00 0.00 C ATOM 381 NZ LYS A 24 -5.782 1.416 16.378 1.00 0.00 N ATOM 0 H LYS A 24 -4.377 1.854 10.682 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.260 4.810 10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.910 4.575 13.043 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.146 4.117 11.889 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.684 1.750 12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.293 2.120 13.236 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.799 3.417 14.142 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.858 1.666 14.171 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.310 2.406 15.221 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.483 3.472 15.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.203 1.447 17.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.785 1.533 16.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.648 0.500 15.905 1.00 0.00 H new ATOM 436 N GLN A 28 3.817 11.585 10.507 1.00 0.00 N ATOM 437 CA GLN A 28 4.466 12.423 9.503 1.00 0.00 C ATOM 438 C GLN A 28 4.455 11.736 8.142 1.00 0.00 C ATOM 439 O GLN A 28 4.325 10.516 8.056 1.00 0.00 O ATOM 440 CB GLN A 28 5.905 12.735 9.919 1.00 0.00 C ATOM 441 CG GLN A 28 6.018 13.374 11.293 1.00 0.00 C ATOM 442 CD GLN A 28 6.061 14.889 11.230 1.00 0.00 C ATOM 443 OE1 GLN A 28 5.317 15.511 10.473 1.00 0.00 O ATOM 444 NE2 GLN A 28 6.937 15.490 12.028 1.00 0.00 N ATOM 0 HA GLN A 28 3.910 13.357 9.427 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.485 11.812 9.908 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.351 13.401 9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.171 13.063 11.905 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.919 13.009 11.787 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.534 14.934 12.640 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.012 16.507 12.029 1.00 0.00 H new ATOM 453 N TRP A 29 4.589 12.524 7.079 1.00 0.00 N ATOM 454 CA TRP A 29 4.590 11.976 5.728 1.00 0.00 C ATOM 455 C TRP A 29 5.685 10.932 5.561 1.00 0.00 C ATOM 456 O TRP A 29 5.437 9.830 5.072 1.00 0.00 O ATOM 457 CB TRP A 29 4.775 13.082 4.692 1.00 0.00 C ATOM 458 CG TRP A 29 4.714 12.563 3.291 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.599 12.424 2.517 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.813 12.092 2.504 1.00 0.00 C ATOM 461 NE1 TRP A 29 3.937 11.894 1.297 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.291 11.685 1.263 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.188 11.978 2.729 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.095 11.169 0.250 1.00 0.00 C ATOM 465 CZ3 TRP A 29 7.986 11.467 1.722 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.437 11.069 0.496 1.00 0.00 C ATOM 0 H TRP A 29 4.698 13.537 7.127 1.00 0.00 H new ATOM 0 HA TRP A 29 3.623 11.499 5.569 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.003 13.839 4.830 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.735 13.572 4.854 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.598 12.692 2.820 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.286 11.689 0.539 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.619 12.283 3.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.675 10.859 -0.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.050 11.373 1.883 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.087 10.675 -0.271 1.00 0.00 H new ATOM 477 N VAL A 30 6.894 11.288 5.969 1.00 0.00 N ATOM 478 CA VAL A 30 8.033 10.385 5.870 1.00 0.00 C ATOM 479 C VAL A 30 7.735 9.069 6.570 1.00 0.00 C ATOM 480 O VAL A 30 8.218 8.011 6.168 1.00 0.00 O ATOM 481 CB VAL A 30 9.299 11.009 6.482 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.876 12.057 5.548 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.991 11.612 7.842 1.00 0.00 C ATOM 0 H VAL A 30 7.113 12.199 6.373 1.00 0.00 H new ATOM 0 HA VAL A 30 8.210 10.202 4.810 1.00 0.00 H new ATOM 0 HB VAL A 30 10.043 10.224 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.771 12.489 5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.133 11.593 4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.138 12.842 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.898 12.049 8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.232 12.387 7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.622 10.834 8.510 1.00 0.00 H new ATOM 493 N HIS A 31 6.929 9.143 7.619 1.00 0.00 N ATOM 494 CA HIS A 31 6.552 7.957 8.373 1.00 0.00 C ATOM 495 C HIS A 31 5.592 7.094 7.561 1.00 0.00 C ATOM 496 O HIS A 31 5.542 5.876 7.733 1.00 0.00 O ATOM 497 CB HIS A 31 5.913 8.351 9.705 1.00 0.00 C ATOM 498 CG HIS A 31 6.882 8.382 10.846 1.00 0.00 C ATOM 499 ND1 HIS A 31 7.014 7.350 11.752 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.772 9.329 11.227 1.00 0.00 C ATOM 501 CE1 HIS A 31 7.940 7.661 12.640 1.00 0.00 C ATOM 502 NE2 HIS A 31 8.416 8.856 12.344 1.00 0.00 N ATOM 0 H HIS A 31 6.524 10.012 7.967 1.00 0.00 H new ATOM 0 HA HIS A 31 7.452 7.378 8.578 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.454 9.334 9.602 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.113 7.648 9.937 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.943 10.279 10.743 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.255 7.043 13.468 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.144 9.348 12.861 1.00 0.00 H new ATOM 511 N ALA A 32 4.831 7.734 6.672 1.00 0.00 N ATOM 512 CA ALA A 32 3.880 7.015 5.837 1.00 0.00 C ATOM 513 C ALA A 32 4.602 6.172 4.794 1.00 0.00 C ATOM 514 O ALA A 32 4.316 4.985 4.642 1.00 0.00 O ATOM 515 CB ALA A 32 2.925 7.990 5.163 1.00 0.00 C ATOM 0 H ALA A 32 4.857 8.742 6.515 1.00 0.00 H new ATOM 0 HA ALA A 32 3.304 6.345 6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.220 7.438 4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.379 8.549 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.492 8.683 4.541 1.00 0.00 H new ATOM 521 N ARG A 33 5.553 6.784 4.093 1.00 0.00 N ATOM 522 CA ARG A 33 6.326 6.076 3.082 1.00 0.00 C ATOM 523 C ARG A 33 7.102 4.932 3.719 1.00 0.00 C ATOM 524 O ARG A 33 7.205 3.846 3.150 1.00 0.00 O ATOM 525 CB ARG A 33 7.279 7.029 2.355 1.00 0.00 C ATOM 526 CG ARG A 33 8.287 7.706 3.267 1.00 0.00 C ATOM 527 CD ARG A 33 9.714 7.425 2.826 1.00 0.00 C ATOM 528 NE ARG A 33 10.680 7.710 3.884 1.00 0.00 N ATOM 529 CZ ARG A 33 11.991 7.801 3.681 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.491 7.632 2.464 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.804 8.064 4.695 1.00 0.00 N ATOM 0 H ARG A 33 5.805 7.766 4.207 1.00 0.00 H new ATOM 0 HA ARG A 33 5.633 5.665 2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.816 6.474 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.693 7.794 1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.111 8.782 3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.146 7.357 4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.802 6.381 2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.948 8.029 1.949 1.00 0.00 H new ATOM 0 HE ARG A 33 10.329 7.847 4.832 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.869 7.432 1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.497 7.702 2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.424 8.197 5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.809 8.133 4.538 1.00 0.00 H new ATOM 545 N TYR A 34 7.629 5.178 4.914 1.00 0.00 N ATOM 546 CA TYR A 34 8.373 4.156 5.638 1.00 0.00 C ATOM 547 C TYR A 34 7.461 2.976 5.934 1.00 0.00 C ATOM 548 O TYR A 34 7.883 1.821 5.888 1.00 0.00 O ATOM 549 CB TYR A 34 8.946 4.724 6.937 1.00 0.00 C ATOM 550 CG TYR A 34 10.438 4.520 7.081 1.00 0.00 C ATOM 551 CD1 TYR A 34 10.956 3.291 7.466 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.327 5.558 6.833 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.318 3.099 7.599 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.691 5.376 6.964 1.00 0.00 C ATOM 555 CZ TYR A 34 13.181 4.145 7.347 1.00 0.00 C ATOM 556 OH TYR A 34 14.538 3.960 7.478 1.00 0.00 O ATOM 0 H TYR A 34 7.555 6.072 5.399 1.00 0.00 H new ATOM 0 HA TYR A 34 9.205 3.820 5.019 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.727 5.791 6.985 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.441 4.257 7.782 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.283 2.470 7.665 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.946 6.523 6.533 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.704 2.136 7.898 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.369 6.193 6.768 1.00 0.00 H new ATOM 0 HH TYR A 34 15.004 4.795 7.263 1.00 0.00 H new ATOM 566 N ALA A 35 6.197 3.280 6.215 1.00 0.00 N ATOM 567 CA ALA A 35 5.211 2.248 6.491 1.00 0.00 C ATOM 568 C ALA A 35 4.981 1.414 5.240 1.00 0.00 C ATOM 569 O ALA A 35 4.823 0.194 5.308 1.00 0.00 O ATOM 570 CB ALA A 35 3.907 2.869 6.968 1.00 0.00 C ATOM 0 H ALA A 35 5.835 4.233 6.257 1.00 0.00 H new ATOM 0 HA ALA A 35 5.586 1.601 7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.181 2.081 7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.087 3.438 7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.517 3.533 6.197 1.00 0.00 H new ATOM 576 N CYS A 36 4.986 2.087 4.091 1.00 0.00 N ATOM 577 CA CYS A 36 4.802 1.427 2.813 1.00 0.00 C ATOM 578 C CYS A 36 5.867 0.363 2.622 1.00 0.00 C ATOM 579 O CYS A 36 5.570 -0.781 2.280 1.00 0.00 O ATOM 580 CB CYS A 36 4.885 2.442 1.676 1.00 0.00 C ATOM 581 SG CYS A 36 3.969 3.984 1.985 1.00 0.00 S ATOM 0 H CYS A 36 5.117 3.096 4.026 1.00 0.00 H new ATOM 0 HA CYS A 36 3.817 0.960 2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.932 2.684 1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.503 1.982 0.765 1.00 0.00 H new ATOM 586 N ASP A 37 7.112 0.757 2.853 1.00 0.00 N ATOM 587 CA ASP A 37 8.240 -0.151 2.718 1.00 0.00 C ATOM 588 C ASP A 37 8.042 -1.379 3.599 1.00 0.00 C ATOM 589 O ASP A 37 8.437 -2.487 3.238 1.00 0.00 O ATOM 590 CB ASP A 37 9.544 0.557 3.092 1.00 0.00 C ATOM 591 CG ASP A 37 10.315 1.029 1.874 1.00 0.00 C ATOM 592 OD1 ASP A 37 11.016 0.199 1.257 1.00 0.00 O ATOM 593 OD2 ASP A 37 10.219 2.228 1.539 1.00 0.00 O ATOM 0 H ASP A 37 7.366 1.704 3.136 1.00 0.00 H new ATOM 0 HA ASP A 37 8.301 -0.471 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.320 1.411 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.169 -0.121 3.674 1.00 0.00 H new ATOM 598 N ASP A 38 7.416 -1.171 4.755 1.00 0.00 N ATOM 599 CA ASP A 38 7.152 -2.261 5.688 1.00 0.00 C ATOM 600 C ASP A 38 6.133 -3.234 5.103 1.00 0.00 C ATOM 601 O ASP A 38 6.135 -4.422 5.426 1.00 0.00 O ATOM 602 CB ASP A 38 6.642 -1.709 7.020 1.00 0.00 C ATOM 603 CG ASP A 38 7.008 -2.597 8.193 1.00 0.00 C ATOM 604 OD1 ASP A 38 6.648 -3.793 8.166 1.00 0.00 O ATOM 605 OD2 ASP A 38 7.652 -2.097 9.138 1.00 0.00 O ATOM 0 H ASP A 38 7.083 -0.259 5.067 1.00 0.00 H new ATOM 0 HA ASP A 38 8.086 -2.796 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.055 -0.713 7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.558 -1.601 6.974 1.00 0.00 H new ATOM 610 N MET A 39 5.269 -2.721 4.230 1.00 0.00 N ATOM 611 CA MET A 39 4.249 -3.538 3.585 1.00 0.00 C ATOM 612 C MET A 39 4.717 -3.966 2.200 1.00 0.00 C ATOM 613 O MET A 39 4.071 -4.774 1.533 1.00 0.00 O ATOM 614 CB MET A 39 2.933 -2.764 3.479 1.00 0.00 C ATOM 615 CG MET A 39 2.386 -2.308 4.822 1.00 0.00 C ATOM 616 SD MET A 39 1.936 -3.686 5.894 1.00 0.00 S ATOM 617 CE MET A 39 2.138 -2.938 7.509 1.00 0.00 C ATOM 0 H MET A 39 5.257 -1.739 3.954 1.00 0.00 H new ATOM 0 HA MET A 39 4.082 -4.428 4.192 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.084 -1.892 2.843 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.190 -3.392 2.988 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.132 -1.692 5.323 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.511 -1.679 4.659 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.896 -3.668 8.281 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.170 -2.610 7.631 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.471 -2.080 7.599 1.00 0.00 H new ATOM 627 N GLU A 40 5.851 -3.407 1.788 1.00 0.00 N ATOM 628 CA GLU A 40 6.450 -3.702 0.488 1.00 0.00 C ATOM 629 C GLU A 40 5.632 -3.097 -0.646 1.00 0.00 C ATOM 630 O GLU A 40 5.496 -3.695 -1.715 1.00 0.00 O ATOM 631 CB GLU A 40 6.590 -5.211 0.287 1.00 0.00 C ATOM 632 CG GLU A 40 7.744 -5.825 1.063 1.00 0.00 C ATOM 633 CD GLU A 40 8.158 -7.178 0.519 1.00 0.00 C ATOM 634 OE1 GLU A 40 7.562 -8.194 0.936 1.00 0.00 O ATOM 635 OE2 GLU A 40 9.079 -7.224 -0.324 1.00 0.00 O ATOM 0 H GLU A 40 6.381 -2.737 2.345 1.00 0.00 H new ATOM 0 HA GLU A 40 7.442 -3.252 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.662 -5.697 0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.727 -5.416 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.598 -5.149 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.458 -5.930 2.110 1.00 0.00 H new ATOM 642 N GLY A 41 5.091 -1.910 -0.408 1.00 0.00 N ATOM 643 CA GLY A 41 4.291 -1.242 -1.416 1.00 0.00 C ATOM 644 C GLY A 41 4.862 0.097 -1.838 1.00 0.00 C ATOM 645 O GLY A 41 6.021 0.188 -2.245 1.00 0.00 O ATOM 0 H GLY A 41 5.192 -1.396 0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.208 -1.887 -2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.282 -1.095 -1.031 1.00 0.00 H new ATOM 649 N GLN A 42 4.034 1.130 -1.763 1.00 0.00 N ATOM 650 CA GLN A 42 4.433 2.475 -2.160 1.00 0.00 C ATOM 651 C GLN A 42 3.500 3.478 -1.525 1.00 0.00 C ATOM 652 O GLN A 42 2.391 3.123 -1.140 1.00 0.00 O ATOM 653 CB GLN A 42 4.366 2.623 -3.680 1.00 0.00 C ATOM 654 CG GLN A 42 4.593 4.047 -4.169 1.00 0.00 C ATOM 655 CD GLN A 42 4.354 4.197 -5.658 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.105 3.666 -6.476 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.304 4.925 -6.015 1.00 0.00 N ATOM 0 H GLN A 42 3.073 1.061 -1.428 1.00 0.00 H new ATOM 0 HA GLN A 42 5.457 2.652 -1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.112 1.970 -4.133 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.391 2.281 -4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.930 4.723 -3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.614 4.349 -3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.709 5.346 -5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.092 5.063 -7.003 1.00 0.00 H new ATOM 666 N LEU A 43 3.905 4.731 -1.428 1.00 0.00 N ATOM 667 CA LEU A 43 3.007 5.695 -0.854 1.00 0.00 C ATOM 668 C LEU A 43 1.965 6.010 -1.916 1.00 0.00 C ATOM 669 O LEU A 43 2.269 6.581 -2.963 1.00 0.00 O ATOM 670 CB LEU A 43 3.773 6.959 -0.435 1.00 0.00 C ATOM 671 CG LEU A 43 3.204 7.759 0.747 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.486 6.869 1.739 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.316 8.524 1.445 1.00 0.00 C ATOM 0 H LEU A 43 4.812 5.088 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 43 2.530 5.304 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.795 6.670 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.829 7.623 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 43 2.474 8.462 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.100 7.475 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.659 6.362 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.182 6.128 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.901 9.087 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.063 7.822 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.782 9.212 0.740 1.00 0.00 H new ATOM 685 N VAL A 44 0.744 5.581 -1.617 1.00 0.00 N ATOM 686 CA VAL A 44 -0.418 5.728 -2.492 1.00 0.00 C ATOM 687 C VAL A 44 -0.148 6.528 -3.757 1.00 0.00 C ATOM 688 O VAL A 44 -0.033 5.965 -4.846 1.00 0.00 O ATOM 689 CB VAL A 44 -1.586 6.371 -1.740 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.747 5.397 -1.648 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.139 6.818 -0.359 1.00 0.00 C ATOM 0 H VAL A 44 0.527 5.110 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.669 4.714 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.922 7.251 -2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.572 5.864 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.074 5.125 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.429 4.501 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.979 7.274 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.783 5.956 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.333 7.546 -0.455 1.00 0.00 H new ATOM 701 N SER A 45 -0.084 7.840 -3.607 1.00 0.00 N ATOM 702 CA SER A 45 0.134 8.732 -4.740 1.00 0.00 C ATOM 703 C SER A 45 -1.078 8.688 -5.665 1.00 0.00 C ATOM 704 O SER A 45 -0.960 8.406 -6.858 1.00 0.00 O ATOM 705 CB SER A 45 1.399 8.340 -5.507 1.00 0.00 C ATOM 706 OG SER A 45 2.298 9.429 -5.600 1.00 0.00 O ATOM 0 H SER A 45 -0.180 8.315 -2.710 1.00 0.00 H new ATOM 0 HA SER A 45 0.267 9.747 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.887 7.504 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.131 8.000 -6.507 1.00 0.00 H new ATOM 0 HG SER A 45 2.291 9.781 -6.514 1.00 0.00 H new ATOM 712 N ILE A 46 -2.248 8.949 -5.088 1.00 0.00 N ATOM 713 CA ILE A 46 -3.506 8.925 -5.832 1.00 0.00 C ATOM 714 C ILE A 46 -3.432 9.781 -7.092 1.00 0.00 C ATOM 715 O ILE A 46 -2.799 10.837 -7.107 1.00 0.00 O ATOM 716 CB ILE A 46 -4.703 9.399 -4.971 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.232 9.952 -3.618 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.695 8.260 -4.770 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.923 8.882 -2.587 1.00 0.00 C ATOM 0 H ILE A 46 -2.352 9.181 -4.100 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.667 7.884 -6.113 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.203 10.208 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.340 10.558 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.001 10.614 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.531 8.608 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.065 7.925 -5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.200 7.431 -4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.597 9.353 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.818 8.290 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.131 8.233 -2.962 1.00 0.00 H new ATOM 731 N HIS A 47 -4.086 9.307 -8.150 1.00 0.00 N ATOM 732 CA HIS A 47 -4.107 10.011 -9.428 1.00 0.00 C ATOM 733 C HIS A 47 -5.522 10.040 -10.001 1.00 0.00 C ATOM 734 O HIS A 47 -5.755 10.580 -11.083 1.00 0.00 O ATOM 735 CB HIS A 47 -3.154 9.331 -10.415 1.00 0.00 C ATOM 736 CG HIS A 47 -2.973 10.082 -11.698 1.00 0.00 C ATOM 737 ND1 HIS A 47 -3.318 11.408 -11.851 1.00 0.00 N ATOM 738 CD2 HIS A 47 -2.482 9.682 -12.897 1.00 0.00 C ATOM 739 CE1 HIS A 47 -3.050 11.791 -13.087 1.00 0.00 C ATOM 740 NE2 HIS A 47 -2.542 10.764 -13.740 1.00 0.00 N ATOM 0 H HIS A 47 -4.611 8.433 -8.146 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.779 11.038 -9.265 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.182 9.205 -9.938 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.530 8.333 -10.639 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.113 8.697 -13.143 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.218 12.777 -13.493 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.242 10.772 -14.715 1.00 0.00 H new ATOM 749 N SER A 48 -6.468 9.457 -9.269 1.00 0.00 N ATOM 750 CA SER A 48 -7.852 9.423 -9.708 1.00 0.00 C ATOM 751 C SER A 48 -8.755 10.063 -8.666 1.00 0.00 C ATOM 752 O SER A 48 -8.791 9.622 -7.518 1.00 0.00 O ATOM 753 CB SER A 48 -8.293 7.981 -9.968 1.00 0.00 C ATOM 754 OG SER A 48 -7.183 7.100 -9.962 1.00 0.00 O ATOM 0 H SER A 48 -6.298 9.004 -8.371 1.00 0.00 H new ATOM 0 HA SER A 48 -7.932 9.988 -10.636 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.010 7.673 -9.206 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.804 7.921 -10.929 1.00 0.00 H new ATOM 0 HG SER A 48 -7.464 6.218 -10.284 1.00 0.00 H new ATOM 760 N PRO A 49 -9.499 11.114 -9.050 1.00 0.00 N ATOM 761 CA PRO A 49 -10.405 11.803 -8.133 1.00 0.00 C ATOM 762 C PRO A 49 -11.259 10.813 -7.351 1.00 0.00 C ATOM 763 O PRO A 49 -11.661 11.079 -6.218 1.00 0.00 O ATOM 764 CB PRO A 49 -11.263 12.656 -9.067 1.00 0.00 C ATOM 765 CG PRO A 49 -10.372 12.936 -10.229 1.00 0.00 C ATOM 766 CD PRO A 49 -9.520 11.708 -10.401 1.00 0.00 C ATOM 0 HA PRO A 49 -9.882 12.390 -7.378 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.164 12.126 -9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.585 13.577 -8.581 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.954 13.136 -11.128 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.756 13.816 -10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.946 11.023 -11.134 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.517 11.960 -10.745 1.00 0.00 H new ATOM 774 N GLU A 50 -11.512 9.659 -7.962 1.00 0.00 N ATOM 775 CA GLU A 50 -12.294 8.611 -7.326 1.00 0.00 C ATOM 776 C GLU A 50 -11.491 7.934 -6.230 1.00 0.00 C ATOM 777 O GLU A 50 -11.998 7.691 -5.138 1.00 0.00 O ATOM 778 CB GLU A 50 -12.731 7.564 -8.347 1.00 0.00 C ATOM 779 CG GLU A 50 -13.422 6.367 -7.721 1.00 0.00 C ATOM 780 CD GLU A 50 -13.452 5.163 -8.642 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.409 4.488 -8.772 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.519 4.894 -9.233 1.00 0.00 O ATOM 0 H GLU A 50 -11.184 9.428 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.178 9.077 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.405 8.028 -9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.858 7.221 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.911 6.100 -6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.443 6.640 -7.453 1.00 0.00 H new ATOM 789 N GLU A 51 -10.238 7.620 -6.539 1.00 0.00 N ATOM 790 CA GLU A 51 -9.367 6.959 -5.587 1.00 0.00 C ATOM 791 C GLU A 51 -9.144 7.840 -4.367 1.00 0.00 C ATOM 792 O GLU A 51 -9.261 7.381 -3.231 1.00 0.00 O ATOM 793 CB GLU A 51 -8.033 6.602 -6.244 1.00 0.00 C ATOM 794 CG GLU A 51 -8.117 5.411 -7.184 1.00 0.00 C ATOM 795 CD GLU A 51 -7.556 4.144 -6.570 1.00 0.00 C ATOM 796 OE1 GLU A 51 -7.965 3.797 -5.442 1.00 0.00 O ATOM 797 OE2 GLU A 51 -6.706 3.496 -7.218 1.00 0.00 O ATOM 0 H GLU A 51 -9.807 7.814 -7.443 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.848 6.037 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.668 7.467 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.300 6.389 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.158 5.245 -7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.573 5.638 -8.101 1.00 0.00 H new ATOM 804 N GLN A 52 -8.839 9.113 -4.604 1.00 0.00 N ATOM 805 CA GLN A 52 -8.624 10.054 -3.514 1.00 0.00 C ATOM 806 C GLN A 52 -9.862 10.110 -2.629 1.00 0.00 C ATOM 807 O GLN A 52 -9.762 10.134 -1.405 1.00 0.00 O ATOM 808 CB GLN A 52 -8.285 11.451 -4.056 1.00 0.00 C ATOM 809 CG GLN A 52 -9.502 12.341 -4.290 1.00 0.00 C ATOM 810 CD GLN A 52 -9.747 13.350 -3.176 1.00 0.00 C ATOM 811 OE1 GLN A 52 -9.128 13.144 -2.015 1.00 0.00 O flip ATOM 812 NE2 GLN A 52 -10.489 14.315 -3.360 1.00 0.00 N flip ATOM 0 H GLN A 52 -8.736 9.513 -5.537 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.778 9.711 -2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.614 11.948 -3.355 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.742 11.343 -4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.374 12.876 -5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.385 11.712 -4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.947 14.441 -4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.646 14.988 -2.610 1.00 0.00 H new ATOM 821 N ASP A 53 -11.026 10.103 -3.269 1.00 0.00 N ATOM 822 CA ASP A 53 -12.299 10.128 -2.570 1.00 0.00 C ATOM 823 C ASP A 53 -12.520 8.804 -1.858 1.00 0.00 C ATOM 824 O ASP A 53 -13.107 8.752 -0.779 1.00 0.00 O ATOM 825 CB ASP A 53 -13.440 10.391 -3.554 1.00 0.00 C ATOM 826 CG ASP A 53 -14.743 10.726 -2.856 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.693 11.319 -1.757 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.815 10.398 -3.407 1.00 0.00 O ATOM 0 H ASP A 53 -11.110 10.080 -4.285 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.282 10.932 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.164 11.213 -4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.584 9.512 -4.182 1.00 0.00 H new ATOM 833 N PHE A 54 -12.053 7.736 -2.490 1.00 0.00 N ATOM 834 CA PHE A 54 -12.192 6.396 -1.956 1.00 0.00 C ATOM 835 C PHE A 54 -11.513 6.279 -0.599 1.00 0.00 C ATOM 836 O PHE A 54 -12.120 5.834 0.375 1.00 0.00 O ATOM 837 CB PHE A 54 -11.559 5.412 -2.936 1.00 0.00 C ATOM 838 CG PHE A 54 -12.525 4.427 -3.515 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.779 3.229 -2.872 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.174 4.700 -4.705 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.668 2.316 -3.407 1.00 0.00 C ATOM 842 CE2 PHE A 54 -14.064 3.795 -5.247 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.312 2.599 -4.598 1.00 0.00 C ATOM 0 H PHE A 54 -11.568 7.778 -3.386 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.250 6.171 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.095 5.971 -3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.763 4.869 -2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.277 3.005 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.982 5.632 -5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.859 1.384 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.566 4.020 -6.176 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.007 1.888 -5.020 1.00 0.00 H new ATOM 853 N LEU A 55 -10.261 6.707 -0.539 1.00 0.00 N ATOM 854 CA LEU A 55 -9.505 6.679 0.704 1.00 0.00 C ATOM 855 C LEU A 55 -9.998 7.772 1.635 1.00 0.00 C ATOM 856 O LEU A 55 -10.024 7.609 2.853 1.00 0.00 O ATOM 857 CB LEU A 55 -8.019 6.864 0.435 1.00 0.00 C ATOM 858 CG LEU A 55 -7.691 7.825 -0.699 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.132 9.123 -0.147 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.716 7.180 -1.666 1.00 0.00 C ATOM 0 H LEU A 55 -9.747 7.078 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.654 5.708 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.541 7.223 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.581 5.892 0.207 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.607 8.056 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.902 9.800 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.869 9.587 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.223 8.917 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.489 7.877 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.797 6.923 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.161 6.276 -2.082 1.00 0.00 H new ATOM 872 N THR A 56 -10.388 8.893 1.036 1.00 0.00 N ATOM 873 CA THR A 56 -10.885 10.033 1.783 1.00 0.00 C ATOM 874 C THR A 56 -12.129 9.634 2.566 1.00 0.00 C ATOM 875 O THR A 56 -12.304 10.023 3.721 1.00 0.00 O ATOM 876 CB THR A 56 -11.193 11.185 0.818 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.224 12.211 0.930 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.551 11.815 1.024 1.00 0.00 C ATOM 0 H THR A 56 -10.367 9.032 0.026 1.00 0.00 H new ATOM 0 HA THR A 56 -10.126 10.367 2.491 1.00 0.00 H new ATOM 0 HB THR A 56 -11.177 10.727 -0.171 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.914 12.467 0.036 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.692 12.620 0.303 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.327 11.062 0.883 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.616 12.217 2.035 1.00 0.00 H new ATOM 886 N LYS A 57 -12.979 8.838 1.929 1.00 0.00 N ATOM 887 CA LYS A 57 -14.195 8.358 2.558 1.00 0.00 C ATOM 888 C LYS A 57 -13.850 7.287 3.578 1.00 0.00 C ATOM 889 O LYS A 57 -14.481 7.184 4.630 1.00 0.00 O ATOM 890 CB LYS A 57 -15.158 7.799 1.508 1.00 0.00 C ATOM 891 CG LYS A 57 -16.349 8.702 1.233 1.00 0.00 C ATOM 892 CD LYS A 57 -17.300 8.075 0.225 1.00 0.00 C ATOM 893 CE LYS A 57 -16.866 8.364 -1.203 1.00 0.00 C ATOM 894 NZ LYS A 57 -18.024 8.396 -2.138 1.00 0.00 N ATOM 0 H LYS A 57 -12.844 8.512 0.972 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.686 9.190 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.614 7.636 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.520 6.826 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.881 8.899 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.999 9.663 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.341 6.997 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.307 8.459 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.345 9.321 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.157 7.603 -1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.687 8.596 -3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.507 7.475 -2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.688 9.140 -1.843 1.00 0.00 H new ATOM 907 N HIS A 58 -12.828 6.495 3.260 1.00 0.00 N ATOM 908 CA HIS A 58 -12.381 5.436 4.150 1.00 0.00 C ATOM 909 C HIS A 58 -11.704 6.029 5.381 1.00 0.00 C ATOM 910 O HIS A 58 -11.683 5.414 6.447 1.00 0.00 O ATOM 911 CB HIS A 58 -11.416 4.500 3.422 1.00 0.00 C ATOM 912 CG HIS A 58 -11.638 3.053 3.738 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.317 2.194 2.900 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.266 2.312 4.810 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.355 0.990 3.441 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.724 1.036 4.600 1.00 0.00 N ATOM 0 H HIS A 58 -12.297 6.570 2.392 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.252 4.863 4.469 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.518 4.649 2.347 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.393 4.769 3.685 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -12.727 2.449 2.001 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.712 2.661 5.669 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.822 0.117 3.009 1.00 0.00 H new ATOM 978 N GLY A 63 -7.281 11.937 8.694 1.00 0.00 N ATOM 979 CA GLY A 63 -7.078 11.956 7.256 1.00 0.00 C ATOM 980 C GLY A 63 -6.189 10.827 6.777 1.00 0.00 C ATOM 981 O GLY A 63 -6.017 9.824 7.472 1.00 0.00 O ATOM 0 HA2 GLY A 63 -8.044 11.890 6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.635 12.909 6.968 1.00 0.00 H new ATOM 985 N SER A 64 -5.625 10.989 5.585 1.00 0.00 N ATOM 986 CA SER A 64 -4.750 9.976 5.008 1.00 0.00 C ATOM 987 C SER A 64 -3.492 10.610 4.415 1.00 0.00 C ATOM 988 O SER A 64 -3.459 11.809 4.140 1.00 0.00 O ATOM 989 CB SER A 64 -5.498 9.190 3.929 1.00 0.00 C ATOM 990 OG SER A 64 -5.043 9.538 2.633 1.00 0.00 O ATOM 0 H SER A 64 -5.759 11.813 4.999 1.00 0.00 H new ATOM 0 HA SER A 64 -4.446 9.296 5.804 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.358 8.121 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.567 9.387 4.007 1.00 0.00 H new ATOM 0 HG SER A 64 -5.670 10.171 2.225 1.00 0.00 H new ATOM 996 N TRP A 65 -2.465 9.790 4.209 1.00 0.00 N ATOM 997 CA TRP A 65 -1.207 10.259 3.637 1.00 0.00 C ATOM 998 C TRP A 65 -1.047 9.710 2.227 1.00 0.00 C ATOM 999 O TRP A 65 -1.247 8.521 1.991 1.00 0.00 O ATOM 1000 CB TRP A 65 -0.027 9.819 4.507 1.00 0.00 C ATOM 1001 CG TRP A 65 0.369 10.831 5.542 1.00 0.00 C ATOM 1002 CD1 TRP A 65 1.005 12.022 5.327 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.161 10.739 6.957 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.204 12.672 6.523 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.694 11.906 7.535 1.00 0.00 C ATOM 1006 CE3 TRP A 65 -0.426 9.784 7.789 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.658 12.139 8.908 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 -0.462 10.017 9.150 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.077 11.187 9.699 1.00 0.00 C ATOM 0 H TRP A 65 -2.480 8.794 4.431 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.223 11.348 3.599 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.283 8.884 5.005 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.830 9.614 3.865 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.307 12.397 4.360 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.658 13.578 6.637 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.845 8.878 7.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.075 13.040 9.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.914 9.284 9.802 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.033 11.340 10.767 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.698 10.581 1.292 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.530 10.177 -0.095 1.00 0.00 C ATOM 1022 C ILE A 66 0.925 10.244 -0.528 1.00 0.00 C ATOM 1023 O ILE A 66 1.764 10.809 0.169 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.382 11.037 -1.042 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.711 12.390 -1.286 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.778 11.219 -0.463 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.649 13.444 -1.828 1.00 0.00 C ATOM 0 H ILE A 66 -0.526 11.571 1.469 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.868 9.142 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.469 10.527 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.280 12.746 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.114 12.256 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.376 11.830 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.251 10.245 -0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.708 11.713 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.103 14.376 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.061 13.110 -2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.461 13.608 -1.119 1.00 0.00 H new ATOM 1039 N GLY A 67 1.209 9.652 -1.680 1.00 0.00 N ATOM 1040 CA GLY A 67 2.560 9.639 -2.206 1.00 0.00 C ATOM 1041 C GLY A 67 2.985 10.979 -2.769 1.00 0.00 C ATOM 1042 O GLY A 67 3.394 11.068 -3.926 1.00 0.00 O ATOM 0 H GLY A 67 0.521 9.177 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.250 9.348 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.633 8.882 -2.987 1.00 0.00 H new ATOM 1046 N LEU A 68 2.892 12.027 -1.957 1.00 0.00 N ATOM 1047 CA LEU A 68 3.272 13.360 -2.400 1.00 0.00 C ATOM 1048 C LEU A 68 4.319 13.995 -1.491 1.00 0.00 C ATOM 1049 O LEU A 68 4.140 14.089 -0.277 1.00 0.00 O ATOM 1050 CB LEU A 68 2.048 14.271 -2.474 1.00 0.00 C ATOM 1051 CG LEU A 68 2.217 15.503 -3.365 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.138 16.525 -2.714 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.757 15.098 -4.722 1.00 0.00 C ATOM 0 H LEU A 68 2.559 11.978 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 68 3.710 13.247 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.202 13.689 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.797 14.601 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 68 1.238 15.964 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.241 17.391 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.716 16.840 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.118 16.078 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.873 15.984 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.725 14.612 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.062 14.406 -5.198 1.00 0.00 H new ATOM 1065 N ARG A 69 5.395 14.464 -2.111 1.00 0.00 N ATOM 1066 CA ARG A 69 6.475 15.139 -1.406 1.00 0.00 C ATOM 1067 C ARG A 69 6.950 16.337 -2.226 1.00 0.00 C ATOM 1068 O ARG A 69 7.372 16.180 -3.371 1.00 0.00 O ATOM 1069 CB ARG A 69 7.631 14.167 -1.149 1.00 0.00 C ATOM 1070 CG ARG A 69 8.970 14.850 -0.908 1.00 0.00 C ATOM 1071 CD ARG A 69 9.980 14.491 -1.985 1.00 0.00 C ATOM 1072 NE ARG A 69 11.335 14.894 -1.620 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.310 14.036 -1.332 1.00 0.00 C ATOM 1074 NH1 ARG A 69 12.079 12.731 -1.370 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.515 14.484 -1.009 1.00 0.00 N ATOM 0 H ARG A 69 5.542 14.386 -3.117 1.00 0.00 H new ATOM 0 HA ARG A 69 6.110 15.493 -0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.388 13.550 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.725 13.496 -2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.830 15.931 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.358 14.558 0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.956 13.415 -2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.698 14.973 -2.921 1.00 0.00 H new ATOM 0 HE ARG A 69 11.546 15.891 -1.584 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.153 12.384 -1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.827 12.074 -1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.695 15.488 -0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.262 13.825 -0.788 1.00 0.00 H new ATOM 1089 N ASN A 70 6.882 17.532 -1.648 1.00 0.00 N ATOM 1090 CA ASN A 70 7.309 18.734 -2.357 1.00 0.00 C ATOM 1091 C ASN A 70 8.793 19.003 -2.130 1.00 0.00 C ATOM 1092 O ASN A 70 9.284 18.933 -1.002 1.00 0.00 O ATOM 1093 CB ASN A 70 6.472 19.942 -1.924 1.00 0.00 C ATOM 1094 CG ASN A 70 7.301 21.204 -1.768 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.962 21.405 -0.749 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.270 22.061 -2.782 1.00 0.00 N ATOM 0 H ASN A 70 6.539 17.694 -0.701 1.00 0.00 H new ATOM 0 HA ASN A 70 7.153 18.570 -3.423 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.687 20.117 -2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.979 19.717 -0.978 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.808 22.926 -2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.708 21.854 -3.608 1.00 0.00 H new ATOM 1196 N PHE A 77 5.414 20.009 -6.208 1.00 0.00 N ATOM 1197 CA PHE A 77 5.020 18.744 -5.615 1.00 0.00 C ATOM 1198 C PHE A 77 5.403 17.562 -6.501 1.00 0.00 C ATOM 1199 O PHE A 77 4.968 17.449 -7.646 1.00 0.00 O ATOM 1200 CB PHE A 77 3.511 18.724 -5.331 1.00 0.00 C ATOM 1201 CG PHE A 77 2.618 19.196 -6.462 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.135 19.580 -7.696 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.242 19.237 -6.284 1.00 0.00 C ATOM 1204 CE1 PHE A 77 2.305 19.993 -8.718 1.00 0.00 C ATOM 1205 CE2 PHE A 77 0.409 19.652 -7.308 1.00 0.00 C ATOM 1206 CZ PHE A 77 0.941 20.030 -8.524 1.00 0.00 C ATOM 0 HA PHE A 77 5.559 18.646 -4.673 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.224 17.706 -5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.317 19.346 -4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.203 19.554 -7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.817 18.942 -5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.724 20.287 -9.669 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.660 19.680 -7.155 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.290 20.354 -9.322 1.00 0.00 H new ATOM 1216 N ILE A 78 6.217 16.678 -5.945 1.00 0.00 N ATOM 1217 CA ILE A 78 6.668 15.489 -6.647 1.00 0.00 C ATOM 1218 C ILE A 78 6.237 14.241 -5.889 1.00 0.00 C ATOM 1219 O ILE A 78 6.267 14.215 -4.663 1.00 0.00 O ATOM 1220 CB ILE A 78 8.202 15.493 -6.833 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.544 15.815 -8.296 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.813 14.166 -6.385 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.454 14.808 -8.974 1.00 0.00 C ATOM 0 H ILE A 78 6.582 16.765 -4.997 1.00 0.00 H new ATOM 0 HA ILE A 78 6.209 15.487 -7.636 1.00 0.00 H new ATOM 0 HB ILE A 78 8.636 16.268 -6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.616 15.885 -8.864 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.017 16.796 -8.336 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.893 14.197 -6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.590 14.000 -5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.392 13.353 -6.977 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.639 15.119 -10.002 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.400 14.752 -8.436 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.977 13.828 -8.972 1.00 0.00 H new ATOM 1235 N TRP A 79 5.832 13.211 -6.615 1.00 0.00 N ATOM 1236 CA TRP A 79 5.391 11.977 -5.985 1.00 0.00 C ATOM 1237 C TRP A 79 6.579 11.201 -5.439 1.00 0.00 C ATOM 1238 O TRP A 79 7.681 11.269 -5.983 1.00 0.00 O ATOM 1239 CB TRP A 79 4.628 11.098 -6.984 1.00 0.00 C ATOM 1240 CG TRP A 79 3.319 11.674 -7.440 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.836 12.927 -7.196 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.327 11.011 -8.234 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.605 13.083 -7.784 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.270 11.921 -8.428 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.230 9.737 -8.799 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.134 11.596 -9.162 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.101 9.415 -9.527 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.066 10.342 -9.703 1.00 0.00 C ATOM 0 H TRP A 79 5.799 13.204 -7.634 1.00 0.00 H new ATOM 0 HA TRP A 79 4.726 12.243 -5.163 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.260 10.927 -7.856 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.444 10.125 -6.528 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.348 13.686 -6.623 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.033 13.927 -7.747 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.024 9.016 -8.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.666 12.309 -9.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.015 8.433 -9.968 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.804 10.061 -10.278 1.00 0.00 H new ATOM 1259 N VAL A 80 6.346 10.462 -4.361 1.00 0.00 N ATOM 1260 CA VAL A 80 7.392 9.660 -3.739 1.00 0.00 C ATOM 1261 C VAL A 80 7.940 8.643 -4.735 1.00 0.00 C ATOM 1262 O VAL A 80 9.073 8.177 -4.610 1.00 0.00 O ATOM 1263 CB VAL A 80 6.850 8.923 -2.497 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.471 8.364 -2.783 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.802 7.821 -2.049 1.00 0.00 C ATOM 0 H VAL A 80 5.439 10.402 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 80 8.193 10.331 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 80 6.773 9.640 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.098 7.846 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.794 9.179 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.528 7.664 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.392 7.320 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.926 7.098 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.770 8.256 -1.799 1.00 0.00 H new ATOM 1275 N ASP A 81 7.124 8.314 -5.731 1.00 0.00 N ATOM 1276 CA ASP A 81 7.515 7.359 -6.760 1.00 0.00 C ATOM 1277 C ASP A 81 8.452 8.010 -7.771 1.00 0.00 C ATOM 1278 O ASP A 81 8.983 7.347 -8.661 1.00 0.00 O ATOM 1279 CB ASP A 81 6.279 6.806 -7.471 1.00 0.00 C ATOM 1280 CG ASP A 81 6.595 5.591 -8.322 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.327 4.702 -7.838 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.110 5.528 -9.471 1.00 0.00 O ATOM 0 H ASP A 81 6.185 8.696 -5.847 1.00 0.00 H new ATOM 0 HA ASP A 81 8.042 6.536 -6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.525 6.541 -6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.847 7.584 -8.100 1.00 0.00 H new ATOM 1287 N GLY A 82 8.649 9.315 -7.620 1.00 0.00 N ATOM 1288 CA GLY A 82 9.521 10.046 -8.514 1.00 0.00 C ATOM 1289 C GLY A 82 8.800 10.573 -9.739 1.00 0.00 C ATOM 1290 O GLY A 82 9.385 10.655 -10.820 1.00 0.00 O ATOM 0 H GLY A 82 8.217 9.880 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.969 10.881 -7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.337 9.396 -8.830 1.00 0.00 H new ATOM 1294 N SER A 83 7.529 10.930 -9.577 1.00 0.00 N ATOM 1295 CA SER A 83 6.741 11.450 -10.690 1.00 0.00 C ATOM 1296 C SER A 83 5.989 12.720 -10.296 1.00 0.00 C ATOM 1297 O SER A 83 5.181 12.709 -9.372 1.00 0.00 O ATOM 1298 CB SER A 83 5.752 10.390 -11.179 1.00 0.00 C ATOM 1299 OG SER A 83 5.660 10.391 -12.593 1.00 0.00 O ATOM 0 H SER A 83 7.025 10.869 -8.692 1.00 0.00 H new ATOM 0 HA SER A 83 7.430 11.701 -11.497 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.068 9.406 -10.833 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.769 10.579 -10.747 1.00 0.00 H new ATOM 0 HG SER A 83 5.023 9.704 -12.880 1.00 0.00 H new ATOM 1305 N HIS A 84 6.256 13.811 -11.009 1.00 0.00 N ATOM 1306 CA HIS A 84 5.601 15.085 -10.734 1.00 0.00 C ATOM 1307 C HIS A 84 4.082 14.941 -10.804 1.00 0.00 C ATOM 1308 O HIS A 84 3.557 14.166 -11.603 1.00 0.00 O ATOM 1309 CB HIS A 84 6.069 16.149 -11.727 1.00 0.00 C ATOM 1310 CG HIS A 84 5.967 15.719 -13.158 1.00 0.00 C ATOM 1311 ND1 HIS A 84 6.948 14.990 -13.797 1.00 0.00 N ATOM 1312 CD2 HIS A 84 4.992 15.920 -14.076 1.00 0.00 C ATOM 1313 CE1 HIS A 84 6.579 14.762 -15.046 1.00 0.00 C ATOM 1314 NE2 HIS A 84 5.397 15.315 -15.240 1.00 0.00 N ATOM 0 H HIS A 84 6.922 13.838 -11.781 1.00 0.00 H new ATOM 0 HA HIS A 84 5.874 15.395 -9.725 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.476 17.053 -11.585 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.104 16.409 -11.507 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.068 16.457 -13.921 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.149 14.215 -15.783 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.870 15.296 -16.113 1.00 0.00 H new ATOM 1323 N VAL A 85 3.386 15.690 -9.955 1.00 0.00 N ATOM 1324 CA VAL A 85 1.928 15.649 -9.908 1.00 0.00 C ATOM 1325 C VAL A 85 1.315 15.990 -11.261 1.00 0.00 C ATOM 1326 O VAL A 85 1.889 16.746 -12.044 1.00 0.00 O ATOM 1327 CB VAL A 85 1.389 16.610 -8.835 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.119 16.485 -8.690 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.077 16.329 -7.518 1.00 0.00 C ATOM 0 H VAL A 85 3.810 16.335 -9.288 1.00 0.00 H new ATOM 0 HA VAL A 85 1.641 14.630 -9.649 1.00 0.00 H new ATOM 0 HB VAL A 85 1.603 17.633 -9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.469 17.177 -7.924 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.597 16.723 -9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.373 15.465 -8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.696 17.009 -6.756 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.880 15.300 -7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.151 16.475 -7.630 1.00 0.00 H new ATOM 1339 N ASP A 86 0.148 15.411 -11.532 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.543 15.636 -12.795 1.00 0.00 C ATOM 1341 C ASP A 86 -1.862 16.377 -12.590 1.00 0.00 C ATOM 1342 O ASP A 86 -2.037 17.495 -13.073 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.804 14.300 -13.492 1.00 0.00 C ATOM 1344 CG ASP A 86 0.470 13.654 -13.998 1.00 0.00 C ATOM 1345 OD1 ASP A 86 1.030 14.150 -14.998 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.908 12.652 -13.395 1.00 0.00 O ATOM 0 H ASP A 86 -0.338 14.782 -10.892 1.00 0.00 H new ATOM 0 HA ASP A 86 0.099 16.257 -13.419 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.301 13.622 -12.798 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.486 14.456 -14.328 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.794 15.738 -11.889 1.00 0.00 N ATOM 1352 CA TYR A 87 -4.104 16.333 -11.644 1.00 0.00 C ATOM 1353 C TYR A 87 -4.143 17.108 -10.331 1.00 0.00 C ATOM 1354 O TYR A 87 -4.637 18.234 -10.282 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.186 15.248 -11.632 1.00 0.00 C ATOM 1356 CG TYR A 87 -6.088 15.277 -12.846 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -6.943 16.348 -13.076 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -6.086 14.232 -13.760 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -7.768 16.377 -14.183 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -6.909 14.253 -14.871 1.00 0.00 C ATOM 1361 CZ TYR A 87 -7.747 15.328 -15.077 1.00 0.00 C ATOM 1362 OH TYR A 87 -8.568 15.353 -16.181 1.00 0.00 O ATOM 0 H TYR A 87 -2.667 14.811 -11.482 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.296 17.036 -12.455 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.708 14.271 -11.569 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.794 15.364 -10.735 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.963 17.171 -12.377 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.431 13.388 -13.601 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.426 17.217 -14.347 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.895 13.432 -15.573 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.430 14.539 -16.710 1.00 0.00 H new ATOM 1372 N SER A 88 -3.640 16.488 -9.269 1.00 0.00 N ATOM 1373 CA SER A 88 -3.639 17.102 -7.942 1.00 0.00 C ATOM 1374 C SER A 88 -5.066 17.403 -7.502 1.00 0.00 C ATOM 1375 O SER A 88 -5.990 17.409 -8.315 1.00 0.00 O ATOM 1376 CB SER A 88 -2.796 18.383 -7.915 1.00 0.00 C ATOM 1377 OG SER A 88 -2.179 18.623 -9.168 1.00 0.00 O ATOM 0 H SER A 88 -3.226 15.557 -9.300 1.00 0.00 H new ATOM 0 HA SER A 88 -3.190 16.393 -7.246 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.428 19.231 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.032 18.302 -7.141 1.00 0.00 H new ATOM 0 HG SER A 88 -1.284 18.996 -9.026 1.00 0.00 H new ATOM 1383 N ASN A 89 -5.250 17.633 -6.211 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.579 17.912 -5.683 1.00 0.00 C ATOM 1385 C ASN A 89 -6.631 19.268 -4.977 1.00 0.00 C ATOM 1386 O ASN A 89 -7.658 19.941 -5.021 1.00 0.00 O ATOM 1387 CB ASN A 89 -7.010 16.778 -4.752 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.701 15.664 -5.509 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -8.316 15.894 -6.550 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.604 14.448 -4.991 1.00 0.00 N ATOM 0 H ASN A 89 -4.505 17.633 -5.515 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.280 17.967 -6.516 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.137 16.380 -4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.681 17.170 -3.988 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.049 13.658 -5.458 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.084 14.302 -4.126 1.00 0.00 H new ATOM 1592 N CYS A 104 4.696 18.477 1.555 1.00 0.00 N ATOM 1593 CA CYS A 104 3.950 17.233 1.405 1.00 0.00 C ATOM 1594 C CYS A 104 2.454 17.515 1.334 1.00 0.00 C ATOM 1595 O CYS A 104 1.996 18.590 1.722 1.00 0.00 O ATOM 1596 CB CYS A 104 4.247 16.287 2.571 1.00 0.00 C ATOM 1597 SG CYS A 104 4.118 17.067 4.213 1.00 0.00 S ATOM 0 HA CYS A 104 4.263 16.756 0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.557 15.444 2.526 1.00 0.00 H new ATOM 0 HB3 CYS A 104 5.252 15.883 2.450 1.00 0.00 H new ATOM 0 HG CYS A 104 4.385 16.188 5.133 1.00 0.00 H new ATOM 1602 N VAL A 105 1.694 16.550 0.833 1.00 0.00 N ATOM 1603 CA VAL A 105 0.255 16.710 0.714 1.00 0.00 C ATOM 1604 C VAL A 105 -0.493 15.719 1.597 1.00 0.00 C ATOM 1605 O VAL A 105 -0.187 14.526 1.616 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.210 16.544 -0.743 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.726 16.535 -0.828 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.355 17.656 -1.604 1.00 0.00 C ATOM 0 H VAL A 105 2.050 15.653 0.504 1.00 0.00 H new ATOM 0 HA VAL A 105 0.025 17.722 1.047 1.00 0.00 H new ATOM 0 HB VAL A 105 0.160 15.588 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.031 16.417 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.119 15.707 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.118 17.475 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.018 17.527 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.010 18.619 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.444 17.623 -1.572 1.00 0.00 H new ATOM 1618 N MET A 106 -1.482 16.230 2.318 1.00 0.00 N ATOM 1619 CA MET A 106 -2.297 15.413 3.203 1.00 0.00 C ATOM 1620 C MET A 106 -3.751 15.452 2.752 1.00 0.00 C ATOM 1621 O MET A 106 -4.125 16.271 1.918 1.00 0.00 O ATOM 1622 CB MET A 106 -2.175 15.902 4.648 1.00 0.00 C ATOM 1623 CG MET A 106 -2.996 17.148 4.944 1.00 0.00 C ATOM 1624 SD MET A 106 -4.490 16.787 5.887 1.00 0.00 S ATOM 1625 CE MET A 106 -5.227 18.415 5.993 1.00 0.00 C ATOM 0 H MET A 106 -1.740 17.217 2.305 1.00 0.00 H new ATOM 0 HA MET A 106 -1.940 14.384 3.158 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.488 15.103 5.320 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.127 16.108 4.865 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.384 17.859 5.499 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.271 17.629 4.005 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.409 18.665 7.038 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.550 19.150 5.557 1.00 0.00 H new ATOM 0 HE3 MET A 106 -6.171 18.423 5.448 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.618 17.047 -0.616 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.186 17.157 -0.380 1.00 0.00 C ATOM 1727 C TRP A 113 -5.813 18.497 0.213 1.00 0.00 C ATOM 1728 O TRP A 113 -6.536 19.482 0.079 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.406 17.057 -1.685 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.313 15.698 -2.274 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -6.149 14.645 -2.077 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.318 15.266 -3.197 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.735 13.578 -2.831 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.604 13.932 -3.525 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.209 15.888 -3.776 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.818 13.201 -4.413 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.428 15.164 -4.658 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.735 13.831 -4.969 1.00 0.00 C ATOM 0 HA TRP A 113 -5.940 16.344 0.303 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.869 17.719 -2.416 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.396 17.429 -1.513 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -7.010 14.648 -1.425 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.193 12.668 -2.870 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.967 16.914 -3.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.053 12.175 -4.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.568 15.632 -5.114 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.106 13.290 -5.660 1.00 0.00 H new ATOM 1749 N ASN A 114 -4.636 18.526 0.798 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.079 19.737 1.344 1.00 0.00 C ATOM 1751 C ASN A 114 -2.594 19.767 1.013 1.00 0.00 C ATOM 1752 O ASN A 114 -1.851 18.858 1.376 1.00 0.00 O ATOM 1753 CB ASN A 114 -4.294 19.806 2.856 1.00 0.00 C ATOM 1754 CG ASN A 114 -5.697 20.251 3.220 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -6.628 19.446 3.250 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -5.856 21.540 3.498 1.00 0.00 N ATOM 0 H ASN A 114 -4.039 17.706 0.907 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.579 20.601 0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.102 18.826 3.293 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -3.572 20.497 3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -6.778 21.898 3.749 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -5.056 22.172 3.461 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.173 20.805 0.315 1.00 0.00 N ATOM 1764 CA ASP A 115 -0.781 20.942 -0.077 1.00 0.00 C ATOM 1765 C ASP A 115 -0.067 21.941 0.830 1.00 0.00 C ATOM 1766 O ASP A 115 -0.133 23.151 0.613 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.694 21.379 -1.544 1.00 0.00 C ATOM 1768 CG ASP A 115 0.631 21.008 -2.180 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.684 21.367 -1.610 1.00 0.00 O ATOM 1770 OD2 ASP A 115 0.617 20.362 -3.248 1.00 0.00 O ATOM 0 H ASP A 115 -2.776 21.568 0.007 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.286 19.977 0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.506 20.918 -2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.835 22.458 -1.608 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.637 10.736 11.435 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.545 9.564 12.287 1.00 0.00 C ATOM 1893 C GLY A 123 -3.737 8.261 11.533 1.00 0.00 C ATOM 1894 O GLY A 123 -3.858 7.201 12.147 1.00 0.00 O ATOM 0 HA2 GLY A 123 -2.571 9.553 12.776 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.296 9.635 13.074 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.761 8.330 10.205 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.937 7.135 9.391 1.00 0.00 C ATOM 1900 C ALA A 124 -2.896 7.070 8.280 1.00 0.00 C ATOM 1901 O ALA A 124 -2.709 8.033 7.538 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.340 7.096 8.805 1.00 0.00 C ATOM 0 H ALA A 124 -3.661 9.195 9.674 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.800 6.265 10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.456 6.197 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.072 7.086 9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.499 7.976 8.182 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.227 5.926 8.163 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.212 5.740 7.136 1.00 0.00 C ATOM 1910 C TRP A 125 -1.761 4.911 5.984 1.00 0.00 C ATOM 1911 O TRP A 125 -2.427 3.889 6.191 1.00 0.00 O ATOM 1912 CB TRP A 125 0.053 5.086 7.712 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.195 3.918 8.628 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -1.318 3.142 8.700 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.715 3.390 9.601 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -1.162 2.171 9.660 1.00 0.00 N ATOM 1917 CE2 TRP A 125 0.077 2.302 10.226 1.00 0.00 C ATOM 1918 CE3 TRP A 125 2.008 3.734 10.005 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 0.688 1.557 11.231 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 2.613 2.994 11.003 1.00 0.00 C ATOM 1921 CH2 TRP A 125 1.954 1.917 11.606 1.00 0.00 C ATOM 0 H TRP A 125 -2.371 5.116 8.767 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.938 6.725 6.758 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.680 4.753 6.885 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.619 5.842 8.257 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.200 3.273 8.091 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.857 1.467 9.910 1.00 0.00 H new ATOM 0 HE3 TRP A 125 2.525 4.563 9.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.181 0.725 11.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 3.612 3.251 11.323 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.455 1.358 12.383 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.497 5.360 4.767 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.980 4.659 3.598 1.00 0.00 C ATOM 1934 C VAL A 126 -0.889 4.467 2.541 1.00 0.00 C ATOM 1935 O VAL A 126 -0.215 5.413 2.135 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.203 5.376 2.986 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.201 6.850 3.335 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.271 5.172 1.483 1.00 0.00 C ATOM 0 H VAL A 126 -0.955 6.201 4.568 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.286 3.668 3.933 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.097 4.929 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -4.073 7.330 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.234 6.967 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.294 7.315 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.144 5.690 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.369 5.572 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.350 4.107 1.264 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.745 3.220 2.104 1.00 0.00 N ATOM 1949 CA CYS A 127 0.236 2.831 1.086 1.00 0.00 C ATOM 1950 C CYS A 127 -0.380 1.789 0.163 1.00 0.00 C ATOM 1951 O CYS A 127 -1.383 1.189 0.506 1.00 0.00 O ATOM 1952 CB CYS A 127 1.501 2.263 1.724 1.00 0.00 C ATOM 1953 SG CYS A 127 2.287 3.369 2.937 1.00 0.00 S ATOM 0 H CYS A 127 -1.308 2.442 2.447 1.00 0.00 H new ATOM 0 HA CYS A 127 0.511 3.720 0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.256 1.321 2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.220 2.035 0.937 1.00 0.00 H new ATOM 1958 N ASP A 128 0.208 1.553 -0.998 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.346 0.561 -1.900 1.00 0.00 C ATOM 1960 C ASP A 128 0.689 -0.491 -2.256 1.00 0.00 C ATOM 1961 O ASP A 128 1.869 -0.198 -2.415 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.868 1.230 -3.171 1.00 0.00 C ATOM 1963 CG ASP A 128 0.218 1.977 -3.921 1.00 0.00 C ATOM 1964 OD1 ASP A 128 0.752 2.960 -3.367 1.00 0.00 O ATOM 1965 OD2 ASP A 128 0.534 1.579 -5.061 1.00 0.00 O ATOM 0 H ASP A 128 1.049 2.023 -1.332 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.174 0.069 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.302 0.473 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.668 1.923 -2.911 1.00 0.00 H new ATOM 1970 N ARG A 129 0.215 -1.721 -2.373 1.00 0.00 N ATOM 1971 CA ARG A 129 1.061 -2.860 -2.701 1.00 0.00 C ATOM 1972 C ARG A 129 0.233 -3.954 -3.356 1.00 0.00 C ATOM 1973 O ARG A 129 -0.975 -4.035 -3.144 1.00 0.00 O ATOM 1974 CB ARG A 129 1.731 -3.400 -1.434 1.00 0.00 C ATOM 1975 CG ARG A 129 2.598 -4.625 -1.675 1.00 0.00 C ATOM 1976 CD ARG A 129 2.202 -5.775 -0.762 1.00 0.00 C ATOM 1977 NE ARG A 129 3.270 -6.762 -0.630 1.00 0.00 N ATOM 1978 CZ ARG A 129 3.476 -7.486 0.466 1.00 0.00 C ATOM 1979 NH1 ARG A 129 2.689 -7.332 1.524 1.00 0.00 N ATOM 1980 NH2 ARG A 129 4.469 -8.364 0.507 1.00 0.00 N ATOM 0 H ARG A 129 -0.768 -1.959 -2.243 1.00 0.00 H new ATOM 0 HA ARG A 129 1.833 -2.535 -3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.344 -2.613 -0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 129 0.961 -3.649 -0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 129 2.508 -4.937 -2.715 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.645 -4.370 -1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.946 -5.384 0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.308 -6.259 -1.155 1.00 0.00 H new ATOM 0 HE ARG A 129 3.894 -6.904 -1.424 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.925 -6.657 1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.849 -7.888 2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 129 5.077 -8.485 -0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 129 4.625 -8.918 1.349 1.00 0.00 H new ATOM 1994 N LEU A 130 0.882 -4.796 -4.146 1.00 0.00 N ATOM 1995 CA LEU A 130 0.188 -5.883 -4.826 1.00 0.00 C ATOM 1996 C LEU A 130 -0.337 -6.905 -3.822 1.00 0.00 C ATOM 1997 O LEU A 130 0.295 -7.167 -2.799 1.00 0.00 O ATOM 1998 CB LEU A 130 1.117 -6.558 -5.838 1.00 0.00 C ATOM 1999 CG LEU A 130 1.803 -5.611 -6.830 1.00 0.00 C ATOM 2000 CD1 LEU A 130 2.203 -6.360 -8.091 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.898 -4.432 -7.173 1.00 0.00 C ATOM 0 H LEU A 130 1.884 -4.749 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.664 -5.462 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.886 -7.105 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.542 -7.293 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 130 2.704 -5.220 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.688 -5.673 -8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.893 -7.163 -7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.315 -6.782 -8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.408 -3.775 -7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.025 -4.800 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.664 -3.877 -6.265 1.00 0.00 H new