USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 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 52 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.085) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 11 LYS NZ :NH3+ 170:sc= 0 (180deg=0) USER MOD Set 2.2: A 24 LYS NZ :NH3+ -121:sc= -0.0255 (180deg=-0.254) USER MOD Single : A 14 ASN : amide:sc= -3.73! C(o=-3.7!,f=-5.3!) 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 100:sc= -3.19! USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 50:sc= -3.51! USER MOD Single : A 28 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.73) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) 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= -0.25 K(o=-0.25,f=-0.99) USER MOD Single : A 45 SER OG : rot -111:sc= 0.357 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+ 142:sc= 0.0655 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.512 X(o=-0.51,f=-0.41) USER MOD Single : A 64 SER OG : rot -100:sc= -0.0303 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -0.13 X(o=-0.13,f=-0.24) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.45 USER MOD Single : A 89 ASN : amide:sc= -1.84 X(o=-1.8,f=-1.4) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= -0.0431 (180deg=-0.0431) USER MOD Single : A 114 ASN : amide:sc= -0.0997 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -8.931 -2.160 6.579 1.00 0.00 N ATOM 135 CA LYS A 11 -8.818 -1.063 5.613 1.00 0.00 C ATOM 136 C LYS A 11 -8.399 -1.620 4.260 1.00 0.00 C ATOM 137 O LYS A 11 -9.234 -1.765 3.370 1.00 0.00 O ATOM 138 CB LYS A 11 -7.814 -0.014 6.099 1.00 0.00 C ATOM 139 CG LYS A 11 -7.696 0.062 7.613 1.00 0.00 C ATOM 140 CD LYS A 11 -6.486 -0.709 8.115 1.00 0.00 C ATOM 141 CE LYS A 11 -6.775 -1.401 9.436 1.00 0.00 C ATOM 142 NZ LYS A 11 -6.241 -0.632 10.595 1.00 0.00 N ATOM 0 HA LYS A 11 -9.788 -0.576 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.834 -0.239 5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.109 0.963 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.618 1.105 7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.600 -0.339 8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.192 -1.450 7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.644 -0.028 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.851 -1.529 9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.334 -2.398 9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.601 -1.043 11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.202 -0.675 10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.547 0.360 10.524 1.00 0.00 H new ATOM 155 N TRP A 12 -7.105 -1.946 4.137 1.00 0.00 N ATOM 156 CA TRP A 12 -6.531 -2.539 2.912 1.00 0.00 C ATOM 157 C TRP A 12 -7.614 -2.973 1.915 1.00 0.00 C ATOM 158 O TRP A 12 -8.565 -3.668 2.278 1.00 0.00 O ATOM 159 CB TRP A 12 -5.645 -3.745 3.263 1.00 0.00 C ATOM 160 CG TRP A 12 -5.349 -3.915 4.730 1.00 0.00 C ATOM 161 CD1 TRP A 12 -6.248 -3.936 5.762 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.060 -4.115 5.323 1.00 0.00 C ATOM 163 NE1 TRP A 12 -5.594 -4.117 6.956 1.00 0.00 N ATOM 164 CE2 TRP A 12 -4.251 -4.232 6.713 1.00 0.00 C ATOM 165 CE3 TRP A 12 -2.759 -4.201 4.815 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -3.194 -4.430 7.598 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -1.712 -4.398 5.694 1.00 0.00 C ATOM 168 CH2 TRP A 12 -1.934 -4.512 7.071 1.00 0.00 C ATOM 0 H TRP A 12 -6.423 -1.808 4.882 1.00 0.00 H new ATOM 0 HA TRP A 12 -5.929 -1.764 2.437 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.130 -4.651 2.899 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.701 -3.651 2.726 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.317 -3.826 5.653 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.036 -4.159 7.874 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.577 -4.115 3.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.363 -4.516 8.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.704 -4.465 5.312 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.094 -4.668 7.731 1.00 0.00 H new ATOM 179 N ILE A 13 -7.466 -2.557 0.656 1.00 0.00 N ATOM 180 CA ILE A 13 -8.436 -2.885 -0.385 1.00 0.00 C ATOM 181 C ILE A 13 -7.752 -3.285 -1.691 1.00 0.00 C ATOM 182 O ILE A 13 -6.965 -2.525 -2.240 1.00 0.00 O ATOM 183 CB ILE A 13 -9.340 -1.666 -0.661 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.049 -0.550 0.355 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.799 -2.074 -0.621 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.197 0.415 0.578 1.00 0.00 C ATOM 0 H ILE A 13 -6.681 -1.991 0.334 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.025 -3.729 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.124 -1.282 -1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.784 -1.005 1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.179 0.013 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.426 -1.204 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.985 -2.834 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.037 -2.478 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.903 1.168 1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.450 0.903 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.065 -0.131 0.949 1.00 0.00 H new ATOM 198 N ASN A 14 -8.069 -4.472 -2.201 1.00 0.00 N ATOM 199 CA ASN A 14 -7.471 -4.941 -3.449 1.00 0.00 C ATOM 200 C ASN A 14 -8.448 -4.830 -4.613 1.00 0.00 C ATOM 201 O ASN A 14 -9.664 -4.905 -4.430 1.00 0.00 O ATOM 202 CB ASN A 14 -6.980 -6.382 -3.304 1.00 0.00 C ATOM 203 CG ASN A 14 -5.825 -6.700 -4.235 1.00 0.00 C ATOM 204 OD1 ASN A 14 -4.676 -6.802 -3.805 1.00 0.00 O ATOM 205 ND2 ASN A 14 -6.123 -6.860 -5.518 1.00 0.00 N ATOM 0 H ASN A 14 -8.730 -5.122 -1.775 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.617 -4.299 -3.666 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.670 -6.554 -2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.805 -7.065 -3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.386 -7.076 -6.190 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.089 -6.767 -5.833 1.00 0.00 H new ATOM 212 N PHE A 15 -7.902 -4.642 -5.811 1.00 0.00 N ATOM 213 CA PHE A 15 -8.710 -4.511 -7.016 1.00 0.00 C ATOM 214 C PHE A 15 -8.249 -5.505 -8.083 1.00 0.00 C ATOM 215 O PHE A 15 -8.156 -6.704 -7.817 1.00 0.00 O ATOM 216 CB PHE A 15 -8.627 -3.074 -7.543 1.00 0.00 C ATOM 217 CG PHE A 15 -8.603 -2.035 -6.460 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.782 -1.538 -5.928 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.398 -1.556 -5.973 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.759 -0.582 -4.931 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.368 -0.599 -4.977 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.550 -0.111 -4.455 1.00 0.00 C ATOM 0 H PHE A 15 -6.897 -4.577 -5.972 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.748 -4.736 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.729 -2.971 -8.153 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.479 -2.886 -8.196 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.729 -1.902 -6.297 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.471 -1.935 -6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.685 -0.203 -4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.422 -0.233 -4.607 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.530 0.637 -3.676 1.00 0.00 H new ATOM 232 N GLN A 16 -7.960 -5.008 -9.286 1.00 0.00 N ATOM 233 CA GLN A 16 -7.508 -5.860 -10.380 1.00 0.00 C ATOM 234 C GLN A 16 -6.357 -6.757 -9.936 1.00 0.00 C ATOM 235 O GLN A 16 -6.331 -7.947 -10.250 1.00 0.00 O ATOM 236 CB GLN A 16 -7.075 -5.007 -11.573 1.00 0.00 C ATOM 237 CG GLN A 16 -6.227 -3.806 -11.187 1.00 0.00 C ATOM 238 CD GLN A 16 -6.735 -2.515 -11.798 1.00 0.00 C ATOM 239 OE1 GLN A 16 -6.709 -2.338 -13.016 1.00 0.00 O ATOM 240 NE2 GLN A 16 -7.202 -1.604 -10.952 1.00 0.00 N ATOM 0 H GLN A 16 -8.032 -4.019 -9.525 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.342 -6.495 -10.679 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.513 -5.630 -12.269 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.963 -4.660 -12.102 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.213 -3.709 -10.101 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.198 -3.975 -11.505 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.205 -1.793 -9.950 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.558 -0.716 -11.305 1.00 0.00 H new ATOM 249 N ARG A 17 -5.406 -6.182 -9.200 1.00 0.00 N ATOM 250 CA ARG A 17 -4.258 -6.944 -8.717 1.00 0.00 C ATOM 251 C ARG A 17 -3.456 -6.156 -7.685 1.00 0.00 C ATOM 252 O ARG A 17 -2.467 -6.654 -7.148 1.00 0.00 O ATOM 253 CB ARG A 17 -3.353 -7.342 -9.885 1.00 0.00 C ATOM 254 CG ARG A 17 -3.060 -6.200 -10.844 1.00 0.00 C ATOM 255 CD ARG A 17 -1.564 -6.006 -11.036 1.00 0.00 C ATOM 256 NE ARG A 17 -1.259 -4.746 -11.708 1.00 0.00 N ATOM 257 CZ ARG A 17 -1.311 -4.581 -13.027 1.00 0.00 C ATOM 258 NH1 ARG A 17 -1.655 -5.594 -13.811 1.00 0.00 N ATOM 259 NH2 ARG A 17 -1.020 -3.404 -13.562 1.00 0.00 N ATOM 0 H ARG A 17 -5.408 -5.199 -8.928 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.640 -7.843 -8.234 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.412 -7.725 -9.490 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.822 -8.157 -10.436 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.529 -6.402 -11.807 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.502 -5.280 -10.462 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.068 -6.029 -10.066 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.163 -6.835 -11.619 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.991 -3.947 -11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.880 -6.501 -13.403 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.694 -5.466 -14.822 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.756 -2.623 -12.962 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.060 -3.280 -14.574 1.00 0.00 H new ATOM 273 N LYS A 18 -3.888 -4.933 -7.403 1.00 0.00 N ATOM 274 CA LYS A 18 -3.212 -4.094 -6.429 1.00 0.00 C ATOM 275 C LYS A 18 -4.115 -3.853 -5.231 1.00 0.00 C ATOM 276 O LYS A 18 -5.334 -3.961 -5.330 1.00 0.00 O ATOM 277 CB LYS A 18 -2.811 -2.762 -7.055 1.00 0.00 C ATOM 278 CG LYS A 18 -3.974 -1.803 -7.218 1.00 0.00 C ATOM 279 CD LYS A 18 -3.839 -0.978 -8.485 1.00 0.00 C ATOM 280 CE LYS A 18 -3.875 0.511 -8.184 1.00 0.00 C ATOM 281 NZ LYS A 18 -3.221 1.311 -9.255 1.00 0.00 N ATOM 0 H LYS A 18 -4.704 -4.502 -7.837 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.310 -4.608 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.046 -2.293 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.362 -2.947 -8.031 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.908 -2.363 -7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.025 -1.140 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.903 -1.227 -8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.645 -1.231 -9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.910 0.833 -8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.377 0.701 -7.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.267 2.321 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.226 1.022 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.712 1.150 -10.158 1.00 0.00 H new ATOM 294 N CYS A 19 -3.513 -3.523 -4.104 1.00 0.00 N ATOM 295 CA CYS A 19 -4.271 -3.266 -2.886 1.00 0.00 C ATOM 296 C CYS A 19 -3.839 -1.956 -2.235 1.00 0.00 C ATOM 297 O CYS A 19 -2.702 -1.513 -2.391 1.00 0.00 O ATOM 298 CB CYS A 19 -4.116 -4.433 -1.900 1.00 0.00 C ATOM 299 SG CYS A 19 -5.133 -4.293 -0.389 1.00 0.00 S ATOM 0 H CYS A 19 -2.503 -3.426 -4.003 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.323 -3.176 -3.157 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.375 -5.360 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.068 -4.510 -1.611 1.00 0.00 H new ATOM 0 HG CYS A 19 -6.198 -5.029 -0.513 1.00 0.00 H new ATOM 304 N TYR A 20 -4.763 -1.348 -1.502 1.00 0.00 N ATOM 305 CA TYR A 20 -4.513 -0.092 -0.810 1.00 0.00 C ATOM 306 C TYR A 20 -4.858 -0.251 0.656 1.00 0.00 C ATOM 307 O TYR A 20 -6.009 -0.504 0.990 1.00 0.00 O ATOM 308 CB TYR A 20 -5.415 1.002 -1.392 1.00 0.00 C ATOM 309 CG TYR A 20 -4.884 1.670 -2.635 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.443 0.926 -3.718 1.00 0.00 C ATOM 311 CD2 TYR A 20 -4.834 3.054 -2.725 1.00 0.00 C ATOM 312 CE1 TYR A 20 -3.962 1.541 -4.858 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.356 3.680 -3.859 1.00 0.00 C ATOM 314 CZ TYR A 20 -3.919 2.920 -4.923 1.00 0.00 C ATOM 315 OH TYR A 20 -3.440 3.537 -6.056 1.00 0.00 O ATOM 0 H TYR A 20 -5.707 -1.712 -1.371 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.464 0.178 -0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.388 0.567 -1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.576 1.763 -0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.476 -0.152 -3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.175 3.652 -1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.622 0.947 -5.693 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.325 4.758 -3.912 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.478 4.509 -5.940 1.00 0.00 H new ATOM 325 N TYR A 21 -3.893 -0.074 1.544 1.00 0.00 N ATOM 326 CA TYR A 21 -4.198 -0.201 2.955 1.00 0.00 C ATOM 327 C TYR A 21 -4.250 1.149 3.638 1.00 0.00 C ATOM 328 O TYR A 21 -3.239 1.834 3.799 1.00 0.00 O ATOM 329 CB TYR A 21 -3.240 -1.151 3.677 1.00 0.00 C ATOM 330 CG TYR A 21 -1.785 -1.019 3.310 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.286 -1.574 2.139 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.904 -0.367 4.157 1.00 0.00 C ATOM 333 CE1 TYR A 21 0.054 -1.475 1.820 1.00 0.00 C ATOM 334 CE2 TYR A 21 0.434 -0.267 3.851 1.00 0.00 C ATOM 335 CZ TYR A 21 0.910 -0.822 2.681 1.00 0.00 C ATOM 336 OH TYR A 21 2.247 -0.723 2.369 1.00 0.00 O ATOM 0 H TYR A 21 -2.923 0.151 1.322 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.191 -0.645 3.018 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.340 -0.991 4.751 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.554 -2.175 3.476 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.956 -2.091 1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.273 0.070 5.073 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.428 -1.906 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.108 0.243 4.523 1.00 0.00 H new ATOM 0 HH TYR A 21 2.345 -0.391 1.452 1.00 0.00 H new ATOM 346 N PHE A 22 -5.462 1.509 4.033 1.00 0.00 N ATOM 347 CA PHE A 22 -5.729 2.761 4.709 1.00 0.00 C ATOM 348 C PHE A 22 -5.665 2.553 6.214 1.00 0.00 C ATOM 349 O PHE A 22 -6.669 2.681 6.914 1.00 0.00 O ATOM 350 CB PHE A 22 -7.115 3.268 4.297 1.00 0.00 C ATOM 351 CG PHE A 22 -7.284 3.436 2.807 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.193 3.697 1.995 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.535 3.331 2.220 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.341 3.851 0.630 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.692 3.485 0.852 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.592 3.745 0.056 1.00 0.00 C ATOM 0 H PHE A 22 -6.292 0.933 3.890 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.980 3.502 4.429 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.870 2.572 4.663 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.301 4.225 4.785 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.211 3.782 2.436 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.398 3.127 2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.479 4.054 0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.673 3.402 0.408 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.711 3.865 -1.011 1.00 0.00 H new ATOM 366 N GLY A 23 -4.477 2.212 6.703 1.00 0.00 N ATOM 367 CA GLY A 23 -4.303 1.963 8.113 1.00 0.00 C ATOM 368 C GLY A 23 -4.290 3.237 8.934 1.00 0.00 C ATOM 369 O GLY A 23 -4.200 4.334 8.386 1.00 0.00 O ATOM 0 H GLY A 23 -3.632 2.105 6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.107 1.316 8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.368 1.425 8.270 1.00 0.00 H new ATOM 373 N LYS A 24 -4.394 3.092 10.251 1.00 0.00 N ATOM 374 CA LYS A 24 -4.408 4.243 11.150 1.00 0.00 C ATOM 375 C LYS A 24 -3.124 4.329 11.970 1.00 0.00 C ATOM 376 O LYS A 24 -2.596 3.314 12.427 1.00 0.00 O ATOM 377 CB LYS A 24 -5.617 4.171 12.084 1.00 0.00 C ATOM 378 CG LYS A 24 -5.709 2.868 12.861 1.00 0.00 C ATOM 379 CD LYS A 24 -6.896 2.867 13.810 1.00 0.00 C ATOM 380 CE LYS A 24 -7.779 1.649 13.596 1.00 0.00 C ATOM 381 NZ LYS A 24 -8.384 1.634 12.234 1.00 0.00 N ATOM 0 H LYS A 24 -4.470 2.190 10.720 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.478 5.141 10.536 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.572 5.002 12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.527 4.300 11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.798 2.034 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.790 2.715 13.426 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.540 2.883 14.840 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.483 3.774 13.662 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.190 0.743 13.742 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.571 1.638 14.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.421 1.626 12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.084 2.482 11.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.070 0.784 11.724 1.00 0.00 H new ATOM 436 N GLN A 28 3.918 11.029 10.717 1.00 0.00 N ATOM 437 CA GLN A 28 4.302 12.038 9.732 1.00 0.00 C ATOM 438 C GLN A 28 4.294 11.441 8.331 1.00 0.00 C ATOM 439 O GLN A 28 3.997 10.259 8.154 1.00 0.00 O ATOM 440 CB GLN A 28 5.690 12.599 10.044 1.00 0.00 C ATOM 441 CG GLN A 28 5.664 14.003 10.627 1.00 0.00 C ATOM 442 CD GLN A 28 6.406 14.102 11.945 1.00 0.00 C ATOM 443 OE1 GLN A 28 7.397 13.406 12.168 1.00 0.00 O ATOM 444 NE2 GLN A 28 5.927 14.971 12.829 1.00 0.00 N ATOM 0 HA GLN A 28 3.576 12.850 9.780 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.192 11.933 10.746 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.284 12.605 9.130 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.106 14.697 9.912 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.629 14.312 10.773 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.103 15.528 12.602 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.383 15.081 13.734 1.00 0.00 H new ATOM 453 N TRP A 29 4.623 12.258 7.335 1.00 0.00 N ATOM 454 CA TRP A 29 4.652 11.788 5.956 1.00 0.00 C ATOM 455 C TRP A 29 5.762 10.767 5.753 1.00 0.00 C ATOM 456 O TRP A 29 5.533 9.683 5.218 1.00 0.00 O ATOM 457 CB TRP A 29 4.840 12.945 4.976 1.00 0.00 C ATOM 458 CG TRP A 29 4.817 12.483 3.554 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.724 12.384 2.743 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.935 12.031 2.780 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.094 11.894 1.515 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.444 11.674 1.512 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.302 11.896 3.036 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.269 11.186 0.504 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.123 11.413 2.033 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.603 11.063 0.780 1.00 0.00 C ATOM 0 H TRP A 29 4.871 13.240 7.456 1.00 0.00 H new ATOM 0 HA TRP A 29 3.690 11.316 5.758 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.053 13.683 5.130 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.788 13.443 5.180 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.717 12.652 3.025 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.464 11.722 0.732 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.710 12.164 3.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.870 10.914 -0.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.181 11.304 2.219 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.269 10.689 0.017 1.00 0.00 H new ATOM 477 N VAL A 30 6.965 11.125 6.181 1.00 0.00 N ATOM 478 CA VAL A 30 8.118 10.244 6.049 1.00 0.00 C ATOM 479 C VAL A 30 7.832 8.897 6.693 1.00 0.00 C ATOM 480 O VAL A 30 8.327 7.862 6.248 1.00 0.00 O ATOM 481 CB VAL A 30 9.373 10.858 6.693 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.905 11.996 5.838 1.00 0.00 C ATOM 483 CG2 VAL A 30 9.069 11.340 8.102 1.00 0.00 C ATOM 0 H VAL A 30 7.168 12.021 6.624 1.00 0.00 H new ATOM 0 HA VAL A 30 8.305 10.110 4.984 1.00 0.00 H new ATOM 0 HB VAL A 30 10.142 10.088 6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.793 12.420 6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.163 11.618 4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.141 12.768 5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.969 11.771 8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.284 12.096 8.067 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.735 10.499 8.710 1.00 0.00 H new ATOM 493 N HIS A 31 7.021 8.920 7.740 1.00 0.00 N ATOM 494 CA HIS A 31 6.653 7.700 8.441 1.00 0.00 C ATOM 495 C HIS A 31 5.693 6.872 7.594 1.00 0.00 C ATOM 496 O HIS A 31 5.654 5.646 7.705 1.00 0.00 O ATOM 497 CB HIS A 31 6.017 8.031 9.791 1.00 0.00 C ATOM 498 CG HIS A 31 6.931 7.801 10.953 1.00 0.00 C ATOM 499 ND1 HIS A 31 6.673 6.873 11.942 1.00 0.00 N ATOM 500 CD2 HIS A 31 8.107 8.384 11.285 1.00 0.00 C ATOM 501 CE1 HIS A 31 7.651 6.897 12.831 1.00 0.00 C ATOM 502 NE2 HIS A 31 8.534 7.804 12.455 1.00 0.00 N ATOM 0 H HIS A 31 6.606 9.770 8.122 1.00 0.00 H new ATOM 0 HA HIS A 31 7.556 7.116 8.617 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.700 9.074 9.789 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.120 7.426 9.919 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.615 9.161 10.733 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.717 6.280 13.715 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.394 8.036 12.952 1.00 0.00 H new ATOM 511 N ALA A 32 4.921 7.550 6.744 1.00 0.00 N ATOM 512 CA ALA A 32 3.969 6.867 5.881 1.00 0.00 C ATOM 513 C ALA A 32 4.689 6.087 4.790 1.00 0.00 C ATOM 514 O ALA A 32 4.422 4.906 4.587 1.00 0.00 O ATOM 515 CB ALA A 32 2.999 7.865 5.266 1.00 0.00 C ATOM 0 H ALA A 32 4.939 8.564 6.638 1.00 0.00 H new ATOM 0 HA ALA A 32 3.404 6.161 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.294 7.338 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.454 8.379 6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.553 8.594 4.675 1.00 0.00 H new ATOM 521 N ARG A 33 5.617 6.750 4.104 1.00 0.00 N ATOM 522 CA ARG A 33 6.386 6.107 3.048 1.00 0.00 C ATOM 523 C ARG A 33 7.194 4.947 3.613 1.00 0.00 C ATOM 524 O ARG A 33 7.342 3.907 2.970 1.00 0.00 O ATOM 525 CB ARG A 33 7.311 7.112 2.356 1.00 0.00 C ATOM 526 CG ARG A 33 8.159 7.926 3.319 1.00 0.00 C ATOM 527 CD ARG A 33 9.622 7.521 3.252 1.00 0.00 C ATOM 528 NE ARG A 33 10.194 7.748 1.928 1.00 0.00 N ATOM 529 CZ ARG A 33 11.243 7.085 1.453 1.00 0.00 C ATOM 530 NH1 ARG A 33 11.834 6.156 2.192 1.00 0.00 N ATOM 531 NH2 ARG A 33 11.703 7.350 0.238 1.00 0.00 N ATOM 0 H ARG A 33 5.852 7.730 4.262 1.00 0.00 H new ATOM 0 HA ARG A 33 5.688 5.720 2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.968 6.576 1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.709 7.791 1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.063 8.986 3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.789 7.790 4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.188 8.085 3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.718 6.467 3.512 1.00 0.00 H new ATOM 0 HE ARG A 33 9.764 8.456 1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.483 5.949 3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.639 5.648 1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.252 8.064 -0.334 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.508 6.840 -0.125 1.00 0.00 H new ATOM 545 N TYR A 34 7.704 5.127 4.828 1.00 0.00 N ATOM 546 CA TYR A 34 8.481 4.086 5.486 1.00 0.00 C ATOM 547 C TYR A 34 7.593 2.887 5.779 1.00 0.00 C ATOM 548 O TYR A 34 8.035 1.739 5.711 1.00 0.00 O ATOM 549 CB TYR A 34 9.101 4.616 6.781 1.00 0.00 C ATOM 550 CG TYR A 34 10.613 4.630 6.767 1.00 0.00 C ATOM 551 CD1 TYR A 34 11.339 3.453 6.905 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.314 5.819 6.617 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.721 3.462 6.894 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.695 5.837 6.604 1.00 0.00 C ATOM 555 CZ TYR A 34 13.394 4.656 6.743 1.00 0.00 C ATOM 556 OH TYR A 34 14.770 4.669 6.731 1.00 0.00 O ATOM 0 H TYR A 34 7.593 5.981 5.374 1.00 0.00 H new ATOM 0 HA TYR A 34 9.288 3.777 4.821 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.738 5.628 6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.759 4.003 7.615 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.815 2.516 7.023 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.770 6.746 6.509 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.271 2.539 7.003 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.225 6.771 6.486 1.00 0.00 H new ATOM 0 HH TYR A 34 15.087 5.589 6.615 1.00 0.00 H new ATOM 566 N ALA A 35 6.328 3.162 6.085 1.00 0.00 N ATOM 567 CA ALA A 35 5.365 2.107 6.363 1.00 0.00 C ATOM 568 C ALA A 35 5.144 1.275 5.110 1.00 0.00 C ATOM 569 O ALA A 35 5.081 0.046 5.166 1.00 0.00 O ATOM 570 CB ALA A 35 4.052 2.699 6.854 1.00 0.00 C ATOM 0 H ALA A 35 5.949 4.107 6.146 1.00 0.00 H new ATOM 0 HA ALA A 35 5.759 1.463 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.344 1.896 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.228 3.267 7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.642 3.359 6.090 1.00 0.00 H new ATOM 576 N CYS A 36 5.050 1.962 3.976 1.00 0.00 N ATOM 577 CA CYS A 36 4.863 1.302 2.698 1.00 0.00 C ATOM 578 C CYS A 36 5.979 0.299 2.470 1.00 0.00 C ATOM 579 O CYS A 36 5.736 -0.870 2.176 1.00 0.00 O ATOM 580 CB CYS A 36 4.862 2.326 1.562 1.00 0.00 C ATOM 581 SG CYS A 36 4.094 3.923 1.983 1.00 0.00 S ATOM 0 H CYS A 36 5.101 2.979 3.921 1.00 0.00 H new ATOM 0 HA CYS A 36 3.903 0.786 2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.891 2.504 1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.338 1.900 0.706 1.00 0.00 H new ATOM 586 N ASP A 37 7.208 0.776 2.616 1.00 0.00 N ATOM 587 CA ASP A 37 8.384 -0.062 2.434 1.00 0.00 C ATOM 588 C ASP A 37 8.332 -1.278 3.353 1.00 0.00 C ATOM 589 O ASP A 37 8.858 -2.341 3.023 1.00 0.00 O ATOM 590 CB ASP A 37 9.656 0.743 2.704 1.00 0.00 C ATOM 591 CG ASP A 37 10.311 1.238 1.429 1.00 0.00 C ATOM 592 OD1 ASP A 37 9.815 2.228 0.852 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.320 0.633 1.006 1.00 0.00 O ATOM 0 H ASP A 37 7.416 1.744 2.861 1.00 0.00 H new ATOM 0 HA ASP A 37 8.396 -0.410 1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.415 1.595 3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.364 0.124 3.256 1.00 0.00 H new ATOM 598 N ASP A 38 7.688 -1.116 4.506 1.00 0.00 N ATOM 599 CA ASP A 38 7.562 -2.201 5.471 1.00 0.00 C ATOM 600 C ASP A 38 6.635 -3.289 4.939 1.00 0.00 C ATOM 601 O ASP A 38 6.785 -4.465 5.271 1.00 0.00 O ATOM 602 CB ASP A 38 7.034 -1.670 6.805 1.00 0.00 C ATOM 603 CG ASP A 38 7.717 -2.315 7.995 1.00 0.00 C ATOM 604 OD1 ASP A 38 8.964 -2.271 8.057 1.00 0.00 O ATOM 605 OD2 ASP A 38 7.007 -2.863 8.863 1.00 0.00 O ATOM 0 H ASP A 38 7.246 -0.243 4.793 1.00 0.00 H new ATOM 0 HA ASP A 38 8.550 -2.632 5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.180 -0.591 6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.960 -1.849 6.865 1.00 0.00 H new ATOM 610 N MET A 39 5.680 -2.887 4.105 1.00 0.00 N ATOM 611 CA MET A 39 4.732 -3.824 3.516 1.00 0.00 C ATOM 612 C MET A 39 5.113 -4.125 2.072 1.00 0.00 C ATOM 613 O MET A 39 4.433 -4.887 1.383 1.00 0.00 O ATOM 614 CB MET A 39 3.312 -3.261 3.579 1.00 0.00 C ATOM 615 CG MET A 39 2.898 -2.807 4.969 1.00 0.00 C ATOM 616 SD MET A 39 2.216 -4.147 5.963 1.00 0.00 S ATOM 617 CE MET A 39 3.065 -3.883 7.518 1.00 0.00 C ATOM 0 H MET A 39 5.543 -1.917 3.822 1.00 0.00 H new ATOM 0 HA MET A 39 4.764 -4.751 4.088 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.234 -2.418 2.892 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.613 -4.022 3.231 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.762 -2.384 5.481 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.158 -2.012 4.882 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.747 -4.637 8.239 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.141 -3.960 7.363 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.824 -2.891 7.900 1.00 0.00 H new ATOM 627 N GLU A 40 6.210 -3.517 1.631 1.00 0.00 N ATOM 628 CA GLU A 40 6.717 -3.701 0.275 1.00 0.00 C ATOM 629 C GLU A 40 5.788 -3.076 -0.762 1.00 0.00 C ATOM 630 O GLU A 40 5.674 -3.573 -1.884 1.00 0.00 O ATOM 631 CB GLU A 40 6.917 -5.187 -0.029 1.00 0.00 C ATOM 632 CG GLU A 40 8.304 -5.700 0.324 1.00 0.00 C ATOM 633 CD GLU A 40 8.349 -6.378 1.679 1.00 0.00 C ATOM 634 OE1 GLU A 40 7.781 -7.482 1.809 1.00 0.00 O ATOM 635 OE2 GLU A 40 8.952 -5.804 2.610 1.00 0.00 O ATOM 0 H GLU A 40 6.771 -2.885 2.202 1.00 0.00 H new ATOM 0 HA GLU A 40 7.680 -3.193 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.174 -5.765 0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.734 -5.360 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.632 -6.404 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.008 -4.868 0.315 1.00 0.00 H new ATOM 642 N GLY A 41 5.133 -1.984 -0.387 1.00 0.00 N ATOM 643 CA GLY A 41 4.234 -1.309 -1.300 1.00 0.00 C ATOM 644 C GLY A 41 4.781 0.023 -1.768 1.00 0.00 C ATOM 645 O GLY A 41 5.908 0.102 -2.258 1.00 0.00 O ATOM 0 H GLY A 41 5.209 -1.554 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.051 -1.948 -2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.273 -1.152 -0.810 1.00 0.00 H new ATOM 649 N GLN A 42 3.976 1.065 -1.628 1.00 0.00 N ATOM 650 CA GLN A 42 4.366 2.402 -2.048 1.00 0.00 C ATOM 651 C GLN A 42 3.462 3.410 -1.384 1.00 0.00 C ATOM 652 O GLN A 42 2.358 3.065 -0.973 1.00 0.00 O ATOM 653 CB GLN A 42 4.247 2.541 -3.568 1.00 0.00 C ATOM 654 CG GLN A 42 4.490 3.956 -4.074 1.00 0.00 C ATOM 655 CD GLN A 42 4.169 4.110 -5.547 1.00 0.00 C ATOM 656 OE1 GLN A 42 4.785 3.472 -6.399 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.197 4.961 -5.853 1.00 0.00 N ATOM 0 H GLN A 42 3.041 1.009 -1.223 1.00 0.00 H new ATOM 0 HA GLN A 42 5.402 2.577 -1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.961 1.867 -4.043 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.252 2.220 -3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.882 4.654 -3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.532 4.225 -3.903 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.713 5.469 -5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.935 5.106 -6.828 1.00 0.00 H new ATOM 666 N LEU A 43 3.885 4.659 -1.288 1.00 0.00 N ATOM 667 CA LEU A 43 3.014 5.629 -0.684 1.00 0.00 C ATOM 668 C LEU A 43 1.957 5.965 -1.717 1.00 0.00 C ATOM 669 O LEU A 43 2.245 6.536 -2.768 1.00 0.00 O ATOM 670 CB LEU A 43 3.811 6.876 -0.273 1.00 0.00 C ATOM 671 CG LEU A 43 3.228 7.731 0.862 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.545 6.878 1.908 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.321 8.564 1.507 1.00 0.00 C ATOM 0 H LEU A 43 4.789 5.007 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 43 2.550 5.240 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.811 6.558 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.925 7.511 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 43 2.479 8.392 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.145 7.518 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.731 6.318 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.266 6.182 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.894 9.165 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.088 7.905 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.767 9.220 0.760 1.00 0.00 H new ATOM 685 N VAL A 44 0.739 5.550 -1.394 1.00 0.00 N ATOM 686 CA VAL A 44 -0.438 5.717 -2.243 1.00 0.00 C ATOM 687 C VAL A 44 -0.175 6.509 -3.512 1.00 0.00 C ATOM 688 O VAL A 44 -0.101 5.942 -4.604 1.00 0.00 O ATOM 689 CB VAL A 44 -1.575 6.382 -1.467 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.758 5.444 -1.382 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.105 6.789 -0.083 1.00 0.00 C ATOM 0 H VAL A 44 0.535 5.076 -0.514 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.720 4.709 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.886 7.284 -1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.564 5.925 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.103 5.201 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.461 4.529 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.926 7.261 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.773 5.906 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.278 7.493 -0.172 1.00 0.00 H new ATOM 701 N SER A 45 -0.069 7.817 -3.364 1.00 0.00 N ATOM 702 CA SER A 45 0.152 8.701 -4.502 1.00 0.00 C ATOM 703 C SER A 45 -1.070 8.679 -5.411 1.00 0.00 C ATOM 704 O SER A 45 -0.958 8.490 -6.623 1.00 0.00 O ATOM 705 CB SER A 45 1.400 8.279 -5.280 1.00 0.00 C ATOM 706 OG SER A 45 2.245 9.386 -5.528 1.00 0.00 O ATOM 0 H SER A 45 -0.132 8.295 -2.465 1.00 0.00 H new ATOM 0 HA SER A 45 0.308 9.715 -4.135 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.944 7.521 -4.717 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.106 7.823 -6.225 1.00 0.00 H new ATOM 0 HG SER A 45 2.240 9.593 -6.486 1.00 0.00 H new ATOM 712 N ILE A 46 -2.241 8.854 -4.803 1.00 0.00 N ATOM 713 CA ILE A 46 -3.506 8.840 -5.531 1.00 0.00 C ATOM 714 C ILE A 46 -3.449 9.732 -6.765 1.00 0.00 C ATOM 715 O ILE A 46 -2.923 10.843 -6.721 1.00 0.00 O ATOM 716 CB ILE A 46 -4.696 9.285 -4.650 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.215 9.809 -3.289 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.679 8.136 -4.474 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.916 8.723 -2.275 1.00 0.00 C ATOM 0 H ILE A 46 -2.339 9.008 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.664 7.805 -5.834 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.207 10.105 -5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.316 10.407 -3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.975 10.474 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.512 8.462 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.054 7.825 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.175 7.296 -3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.582 9.178 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.817 8.138 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.133 8.071 -2.661 1.00 0.00 H new ATOM 731 N HIS A 47 -3.999 9.231 -7.867 1.00 0.00 N ATOM 732 CA HIS A 47 -4.019 9.973 -9.120 1.00 0.00 C ATOM 733 C HIS A 47 -5.415 9.968 -9.730 1.00 0.00 C ATOM 734 O HIS A 47 -5.640 10.542 -10.796 1.00 0.00 O ATOM 735 CB HIS A 47 -3.017 9.375 -10.109 1.00 0.00 C ATOM 736 CG HIS A 47 -2.917 7.883 -10.033 1.00 0.00 C ATOM 737 ND1 HIS A 47 -3.808 7.036 -10.660 1.00 0.00 N ATOM 738 CD2 HIS A 47 -2.024 7.084 -9.402 1.00 0.00 C ATOM 739 CE1 HIS A 47 -3.469 5.783 -10.415 1.00 0.00 C ATOM 740 NE2 HIS A 47 -2.389 5.784 -9.655 1.00 0.00 N ATOM 0 H HIS A 47 -4.438 8.311 -7.916 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.737 11.004 -8.907 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.304 9.660 -11.121 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.034 9.807 -9.923 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.181 7.409 -8.810 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.987 4.906 -10.775 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.905 4.955 -9.312 1.00 0.00 H new ATOM 749 N SER A 48 -6.354 9.318 -9.047 1.00 0.00 N ATOM 750 CA SER A 48 -7.726 9.243 -9.520 1.00 0.00 C ATOM 751 C SER A 48 -8.672 9.868 -8.507 1.00 0.00 C ATOM 752 O SER A 48 -8.712 9.448 -7.351 1.00 0.00 O ATOM 753 CB SER A 48 -8.122 7.787 -9.778 1.00 0.00 C ATOM 754 OG SER A 48 -8.884 7.668 -10.967 1.00 0.00 O ATOM 0 H SER A 48 -6.186 8.836 -8.164 1.00 0.00 H new ATOM 0 HA SER A 48 -7.798 9.798 -10.455 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.226 7.171 -9.854 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.698 7.409 -8.934 1.00 0.00 H new ATOM 0 HG SER A 48 -9.123 6.728 -11.110 1.00 0.00 H new ATOM 760 N PRO A 49 -9.453 10.881 -8.925 1.00 0.00 N ATOM 761 CA PRO A 49 -10.402 11.550 -8.038 1.00 0.00 C ATOM 762 C PRO A 49 -11.219 10.544 -7.240 1.00 0.00 C ATOM 763 O PRO A 49 -11.640 10.817 -6.116 1.00 0.00 O ATOM 764 CB PRO A 49 -11.293 12.330 -9.003 1.00 0.00 C ATOM 765 CG PRO A 49 -10.415 12.618 -10.171 1.00 0.00 C ATOM 766 CD PRO A 49 -9.477 11.445 -10.290 1.00 0.00 C ATOM 0 HA PRO A 49 -9.913 12.182 -7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.166 11.747 -9.297 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.662 13.249 -8.548 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.004 12.740 -11.080 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.862 13.546 -10.023 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.835 10.717 -11.018 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.484 11.757 -10.613 1.00 0.00 H new ATOM 774 N GLU A 50 -11.424 9.370 -7.832 1.00 0.00 N ATOM 775 CA GLU A 50 -12.174 8.308 -7.182 1.00 0.00 C ATOM 776 C GLU A 50 -11.362 7.676 -6.066 1.00 0.00 C ATOM 777 O GLU A 50 -11.869 7.450 -4.971 1.00 0.00 O ATOM 778 CB GLU A 50 -12.570 7.232 -8.189 1.00 0.00 C ATOM 779 CG GLU A 50 -13.235 6.028 -7.548 1.00 0.00 C ATOM 780 CD GLU A 50 -13.171 4.792 -8.424 1.00 0.00 C ATOM 781 OE1 GLU A 50 -14.020 4.662 -9.331 1.00 0.00 O ATOM 782 OE2 GLU A 50 -12.273 3.952 -8.203 1.00 0.00 O ATOM 0 H GLU A 50 -11.079 9.134 -8.762 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.075 8.753 -6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.248 7.664 -8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.681 6.904 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.754 5.817 -6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.277 6.264 -7.335 1.00 0.00 H new ATOM 789 N GLU A 51 -10.102 7.377 -6.359 1.00 0.00 N ATOM 790 CA GLU A 51 -9.226 6.756 -5.386 1.00 0.00 C ATOM 791 C GLU A 51 -9.015 7.675 -4.189 1.00 0.00 C ATOM 792 O GLU A 51 -9.123 7.245 -3.042 1.00 0.00 O ATOM 793 CB GLU A 51 -7.888 6.394 -6.030 1.00 0.00 C ATOM 794 CG GLU A 51 -7.994 5.302 -7.081 1.00 0.00 C ATOM 795 CD GLU A 51 -8.346 3.952 -6.486 1.00 0.00 C ATOM 796 OE1 GLU A 51 -7.593 3.474 -5.612 1.00 0.00 O ATOM 797 OE2 GLU A 51 -9.376 3.375 -6.892 1.00 0.00 O ATOM 0 H GLU A 51 -9.668 7.557 -7.265 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.698 5.840 -5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.461 7.287 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.195 6.072 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.751 5.580 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.047 5.224 -7.615 1.00 0.00 H new ATOM 804 N GLN A 52 -8.729 8.946 -4.460 1.00 0.00 N ATOM 805 CA GLN A 52 -8.524 9.920 -3.398 1.00 0.00 C ATOM 806 C GLN A 52 -9.789 10.035 -2.557 1.00 0.00 C ATOM 807 O GLN A 52 -9.728 10.111 -1.332 1.00 0.00 O ATOM 808 CB GLN A 52 -8.127 11.284 -3.978 1.00 0.00 C ATOM 809 CG GLN A 52 -9.307 12.161 -4.375 1.00 0.00 C ATOM 810 CD GLN A 52 -9.599 13.259 -3.365 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.209 14.274 -3.700 1.00 0.00 O ATOM 812 NE2 GLN A 52 -9.165 13.065 -2.122 1.00 0.00 N ATOM 0 H GLN A 52 -8.635 9.322 -5.403 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.707 9.581 -2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.524 11.817 -3.243 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.497 11.125 -4.853 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.106 12.613 -5.346 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.193 11.537 -4.491 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.663 12.209 -1.885 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.334 13.772 -1.406 1.00 0.00 H new ATOM 821 N ASP A 53 -10.933 10.013 -3.233 1.00 0.00 N ATOM 822 CA ASP A 53 -12.226 10.078 -2.577 1.00 0.00 C ATOM 823 C ASP A 53 -12.477 8.786 -1.817 1.00 0.00 C ATOM 824 O ASP A 53 -13.109 8.778 -0.763 1.00 0.00 O ATOM 825 CB ASP A 53 -13.337 10.312 -3.602 1.00 0.00 C ATOM 826 CG ASP A 53 -14.639 10.744 -2.957 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.608 11.671 -2.120 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.689 10.155 -3.288 1.00 0.00 O ATOM 0 H ASP A 53 -10.986 9.950 -4.250 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.225 10.913 -1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.017 11.074 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.502 9.396 -4.169 1.00 0.00 H new ATOM 833 N PHE A 54 -11.983 7.690 -2.384 1.00 0.00 N ATOM 834 CA PHE A 54 -12.145 6.373 -1.800 1.00 0.00 C ATOM 835 C PHE A 54 -11.532 6.324 -0.409 1.00 0.00 C ATOM 836 O PHE A 54 -12.183 5.927 0.557 1.00 0.00 O ATOM 837 CB PHE A 54 -11.452 5.353 -2.702 1.00 0.00 C ATOM 838 CG PHE A 54 -12.371 4.318 -3.272 1.00 0.00 C ATOM 839 CD1 PHE A 54 -13.116 4.593 -4.403 1.00 0.00 C ATOM 840 CD2 PHE A 54 -12.480 3.073 -2.683 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.960 3.642 -4.940 1.00 0.00 C ATOM 842 CE2 PHE A 54 -13.323 2.114 -3.213 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.064 2.399 -4.345 1.00 0.00 C ATOM 0 H PHE A 54 -11.461 7.695 -3.260 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.207 6.144 -1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.964 5.881 -3.521 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.668 4.854 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.037 5.563 -4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.901 2.847 -1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.538 3.869 -5.824 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.403 1.144 -2.744 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.722 1.652 -4.763 1.00 0.00 H new ATOM 853 N LEU A 55 -10.284 6.758 -0.312 1.00 0.00 N ATOM 854 CA LEU A 55 -9.585 6.797 0.964 1.00 0.00 C ATOM 855 C LEU A 55 -10.119 7.938 1.812 1.00 0.00 C ATOM 856 O LEU A 55 -10.193 7.842 3.035 1.00 0.00 O ATOM 857 CB LEU A 55 -8.086 6.968 0.756 1.00 0.00 C ATOM 858 CG LEU A 55 -7.701 7.848 -0.424 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.137 9.167 0.066 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.703 7.129 -1.312 1.00 0.00 C ATOM 0 H LEU A 55 -9.733 7.089 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.757 5.851 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.654 7.391 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.638 5.984 0.618 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.593 8.057 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.866 9.787 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.887 9.683 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.252 8.981 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.436 7.770 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.808 6.893 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.147 6.207 -1.686 1.00 0.00 H new ATOM 872 N THR A 56 -10.487 9.022 1.137 1.00 0.00 N ATOM 873 CA THR A 56 -11.017 10.199 1.802 1.00 0.00 C ATOM 874 C THR A 56 -12.286 9.831 2.560 1.00 0.00 C ATOM 875 O THR A 56 -12.499 10.267 3.692 1.00 0.00 O ATOM 876 CB THR A 56 -11.294 11.302 0.770 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.317 12.324 0.849 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.647 11.957 0.918 1.00 0.00 C ATOM 0 H THR A 56 -10.426 9.106 0.122 1.00 0.00 H new ATOM 0 HA THR A 56 -10.285 10.576 2.516 1.00 0.00 H new ATOM 0 HB THR A 56 -11.264 10.792 -0.193 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.512 13.015 0.182 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.766 12.724 0.153 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.429 11.206 0.804 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.724 12.414 1.905 1.00 0.00 H new ATOM 886 N LYS A 57 -13.110 9.003 1.931 1.00 0.00 N ATOM 887 CA LYS A 57 -14.342 8.542 2.541 1.00 0.00 C ATOM 888 C LYS A 57 -14.017 7.511 3.610 1.00 0.00 C ATOM 889 O LYS A 57 -14.676 7.440 4.647 1.00 0.00 O ATOM 890 CB LYS A 57 -15.272 7.938 1.486 1.00 0.00 C ATOM 891 CG LYS A 57 -16.718 8.385 1.621 1.00 0.00 C ATOM 892 CD LYS A 57 -16.927 9.776 1.045 1.00 0.00 C ATOM 893 CE LYS A 57 -17.143 9.729 -0.459 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.593 11.042 -0.997 1.00 0.00 N ATOM 0 H LYS A 57 -12.943 8.637 0.994 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.854 9.389 2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.908 8.209 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.229 6.851 1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.368 7.676 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.005 8.378 2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.788 10.243 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.061 10.398 1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.215 9.434 -0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.885 8.966 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.147 11.209 -1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.627 11.036 -1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.319 11.799 -0.339 1.00 0.00 H new ATOM 907 N HIS A 58 -12.979 6.722 3.346 1.00 0.00 N ATOM 908 CA HIS A 58 -12.539 5.700 4.280 1.00 0.00 C ATOM 909 C HIS A 58 -11.997 6.342 5.550 1.00 0.00 C ATOM 910 O HIS A 58 -12.090 5.767 6.635 1.00 0.00 O ATOM 911 CB HIS A 58 -11.467 4.816 3.640 1.00 0.00 C ATOM 912 CG HIS A 58 -11.522 3.390 4.091 1.00 0.00 C ATOM 913 ND1 HIS A 58 -11.279 3.001 5.392 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.795 2.253 3.407 1.00 0.00 C ATOM 915 CE1 HIS A 58 -11.399 1.689 5.489 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.712 1.211 4.298 1.00 0.00 N ATOM 0 H HIS A 58 -12.428 6.774 2.489 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.396 5.078 4.538 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.578 4.851 2.556 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.484 5.225 3.873 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.034 2.180 2.356 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -11.264 1.107 6.388 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -11.867 0.228 4.076 1.00 0.00 H new ATOM 978 N GLY A 63 -7.228 12.325 8.629 1.00 0.00 N ATOM 979 CA GLY A 63 -6.922 12.304 7.210 1.00 0.00 C ATOM 980 C GLY A 63 -6.051 11.128 6.819 1.00 0.00 C ATOM 981 O GLY A 63 -5.901 10.175 7.585 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.852 12.267 6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.418 13.231 6.937 1.00 0.00 H new ATOM 985 N SER A 64 -5.476 11.195 5.625 1.00 0.00 N ATOM 986 CA SER A 64 -4.615 10.129 5.127 1.00 0.00 C ATOM 987 C SER A 64 -3.342 10.700 4.513 1.00 0.00 C ATOM 988 O SER A 64 -3.283 11.881 4.166 1.00 0.00 O ATOM 989 CB SER A 64 -5.363 9.287 4.092 1.00 0.00 C ATOM 990 OG SER A 64 -5.135 9.770 2.780 1.00 0.00 O ATOM 0 H SER A 64 -5.591 11.978 4.982 1.00 0.00 H new ATOM 0 HA SER A 64 -4.336 9.495 5.969 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.040 8.248 4.162 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.431 9.304 4.308 1.00 0.00 H new ATOM 0 HG SER A 64 -5.899 10.312 2.494 1.00 0.00 H new ATOM 996 N TRP A 65 -2.327 9.854 4.374 1.00 0.00 N ATOM 997 CA TRP A 65 -1.056 10.272 3.793 1.00 0.00 C ATOM 998 C TRP A 65 -0.918 9.713 2.386 1.00 0.00 C ATOM 999 O TRP A 65 -1.162 8.533 2.156 1.00 0.00 O ATOM 1000 CB TRP A 65 0.109 9.796 4.663 1.00 0.00 C ATOM 1001 CG TRP A 65 0.465 10.758 5.753 1.00 0.00 C ATOM 1002 CD1 TRP A 65 0.857 12.057 5.603 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.461 10.499 7.161 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.096 12.622 6.833 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.861 11.685 7.805 1.00 0.00 C ATOM 1006 CE3 TRP A 65 0.159 9.380 7.942 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.965 11.783 9.189 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 0.263 9.478 9.316 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.662 10.672 9.928 1.00 0.00 C ATOM 0 H TRP A 65 -2.360 8.874 4.656 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.034 11.361 3.746 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.147 8.834 5.106 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.982 9.634 4.031 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.964 12.566 4.657 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.399 13.582 6.996 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.150 8.455 7.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.274 12.703 9.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.033 8.619 9.928 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.732 10.717 11.005 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.534 10.566 1.445 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.380 10.140 0.061 1.00 0.00 C ATOM 1022 C ILE A 66 1.070 10.211 -0.390 1.00 0.00 C ATOM 1023 O ILE A 66 1.911 10.808 0.279 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.260 10.971 -0.893 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.559 12.278 -1.281 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.614 11.243 -0.248 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.500 13.353 -1.773 1.00 0.00 C ATOM 0 H ILE A 66 -0.325 11.550 1.613 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.708 9.101 0.020 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.422 10.401 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.011 12.655 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.176 12.068 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.230 11.831 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.111 10.297 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.470 11.796 0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.930 14.247 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.030 12.996 -2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.220 13.593 -0.990 1.00 0.00 H new ATOM 1039 N GLY A 67 1.352 9.581 -1.524 1.00 0.00 N ATOM 1040 CA GLY A 67 2.700 9.563 -2.055 1.00 0.00 C ATOM 1041 C GLY A 67 3.100 10.868 -2.715 1.00 0.00 C ATOM 1042 O GLY A 67 3.550 10.874 -3.859 1.00 0.00 O ATOM 0 H GLY A 67 0.666 9.080 -2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.399 9.343 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.787 8.755 -2.781 1.00 0.00 H new ATOM 1046 N LEU A 68 2.942 11.974 -1.998 1.00 0.00 N ATOM 1047 CA LEU A 68 3.298 13.279 -2.532 1.00 0.00 C ATOM 1048 C LEU A 68 4.264 14.029 -1.617 1.00 0.00 C ATOM 1049 O LEU A 68 4.000 14.217 -0.429 1.00 0.00 O ATOM 1050 CB LEU A 68 2.044 14.123 -2.750 1.00 0.00 C ATOM 1051 CG LEU A 68 1.908 14.722 -4.142 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.794 15.749 -4.166 1.00 0.00 C ATOM 1053 CD2 LEU A 68 3.222 15.340 -4.570 1.00 0.00 C ATOM 0 H LEU A 68 2.571 11.992 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 68 3.800 13.110 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.169 13.505 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.037 14.932 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 68 1.654 13.930 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.708 16.169 -5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.147 15.272 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.018 16.546 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.116 15.766 -5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.501 16.125 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.997 14.574 -4.584 1.00 0.00 H new ATOM 1065 N ARG A 69 5.373 14.474 -2.198 1.00 0.00 N ATOM 1066 CA ARG A 69 6.388 15.234 -1.475 1.00 0.00 C ATOM 1067 C ARG A 69 6.899 16.383 -2.345 1.00 0.00 C ATOM 1068 O ARG A 69 7.392 16.152 -3.449 1.00 0.00 O ATOM 1069 CB ARG A 69 7.544 14.319 -1.062 1.00 0.00 C ATOM 1070 CG ARG A 69 8.797 15.068 -0.634 1.00 0.00 C ATOM 1071 CD ARG A 69 10.008 14.638 -1.446 1.00 0.00 C ATOM 1072 NE ARG A 69 11.100 14.172 -0.596 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.320 13.896 -1.047 1.00 0.00 C ATOM 1074 NH1 ARG A 69 12.603 14.038 -2.335 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.259 13.477 -0.209 1.00 0.00 N ATOM 0 H ARG A 69 5.594 14.319 -3.182 1.00 0.00 H new ATOM 0 HA ARG A 69 5.941 15.651 -0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.215 13.681 -0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.791 13.663 -1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.640 16.140 -0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.985 14.889 0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.719 13.843 -2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.353 15.475 -2.053 1.00 0.00 H new ATOM 0 HE ARG A 69 10.917 14.051 0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.884 14.360 -2.983 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.540 13.825 -2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.045 13.366 0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.195 13.265 -0.556 1.00 0.00 H new ATOM 1089 N ASN A 70 6.782 17.616 -1.860 1.00 0.00 N ATOM 1090 CA ASN A 70 7.236 18.772 -2.630 1.00 0.00 C ATOM 1091 C ASN A 70 8.748 18.943 -2.536 1.00 0.00 C ATOM 1092 O ASN A 70 9.370 18.571 -1.540 1.00 0.00 O ATOM 1093 CB ASN A 70 6.521 20.046 -2.167 1.00 0.00 C ATOM 1094 CG ASN A 70 7.486 21.151 -1.780 1.00 0.00 C ATOM 1095 OD1 ASN A 70 8.037 21.153 -0.680 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.696 22.096 -2.689 1.00 0.00 N ATOM 0 H ASN A 70 6.382 17.840 -0.949 1.00 0.00 H new ATOM 0 HA ASN A 70 6.984 18.593 -3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.869 20.402 -2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.884 19.811 -1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.336 22.864 -2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.217 22.054 -3.589 1.00 0.00 H new ATOM 1196 N PHE A 77 5.546 19.674 -6.631 1.00 0.00 N ATOM 1197 CA PHE A 77 5.225 18.487 -5.854 1.00 0.00 C ATOM 1198 C PHE A 77 5.571 17.229 -6.636 1.00 0.00 C ATOM 1199 O PHE A 77 5.043 16.991 -7.722 1.00 0.00 O ATOM 1200 CB PHE A 77 3.742 18.454 -5.451 1.00 0.00 C ATOM 1201 CG PHE A 77 3.165 19.766 -4.979 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.950 20.905 -4.852 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.818 19.853 -4.667 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.404 22.100 -4.429 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.267 21.047 -4.241 1.00 0.00 C ATOM 1206 CZ PHE A 77 2.060 22.171 -4.125 1.00 0.00 C ATOM 0 HA PHE A 77 5.823 18.525 -4.944 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.160 18.108 -6.305 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.616 17.716 -4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.003 20.855 -5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.191 18.978 -4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.027 22.977 -4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.216 21.101 -3.999 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.629 23.105 -3.797 1.00 0.00 H new ATOM 1216 N ILE A 78 6.460 16.431 -6.071 1.00 0.00 N ATOM 1217 CA ILE A 78 6.890 15.192 -6.692 1.00 0.00 C ATOM 1218 C ILE A 78 6.453 14.002 -5.850 1.00 0.00 C ATOM 1219 O ILE A 78 6.505 14.047 -4.624 1.00 0.00 O ATOM 1220 CB ILE A 78 8.422 15.168 -6.886 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.759 15.314 -8.379 1.00 0.00 C ATOM 1222 CG2 ILE A 78 9.033 13.904 -6.285 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.571 14.174 -8.963 1.00 0.00 C ATOM 0 H ILE A 78 6.902 16.623 -5.172 1.00 0.00 H new ATOM 0 HA ILE A 78 6.421 15.127 -7.674 1.00 0.00 H new ATOM 0 HB ILE A 78 8.861 16.012 -6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.829 15.403 -8.940 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.309 16.244 -8.524 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.112 13.914 -6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.817 13.867 -5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.607 13.027 -6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.759 14.365 -10.019 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.520 14.095 -8.434 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.017 13.241 -8.856 1.00 0.00 H new ATOM 1235 N TRP A 79 6.019 12.943 -6.511 1.00 0.00 N ATOM 1236 CA TRP A 79 5.569 11.752 -5.809 1.00 0.00 C ATOM 1237 C TRP A 79 6.753 10.968 -5.260 1.00 0.00 C ATOM 1238 O TRP A 79 7.847 11.000 -5.822 1.00 0.00 O ATOM 1239 CB TRP A 79 4.743 10.857 -6.738 1.00 0.00 C ATOM 1240 CG TRP A 79 3.458 11.480 -7.200 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.878 12.624 -6.730 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.592 10.985 -8.229 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.706 12.871 -7.405 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.508 11.878 -8.328 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.628 9.873 -9.074 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.472 11.693 -9.240 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.599 9.690 -9.979 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.534 10.596 -10.056 1.00 0.00 C ATOM 0 H TRP A 79 5.968 12.882 -7.528 1.00 0.00 H new ATOM 0 HA TRP A 79 4.943 12.072 -4.976 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.345 10.601 -7.610 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.518 9.924 -6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.281 13.244 -5.943 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.085 13.664 -7.245 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.445 9.169 -9.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.351 12.390 -9.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.617 8.834 -10.637 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.255 10.426 -10.774 1.00 0.00 H new ATOM 1259 N VAL A 80 6.521 10.264 -4.159 1.00 0.00 N ATOM 1260 CA VAL A 80 7.557 9.461 -3.521 1.00 0.00 C ATOM 1261 C VAL A 80 8.092 8.409 -4.490 1.00 0.00 C ATOM 1262 O VAL A 80 9.224 7.944 -4.360 1.00 0.00 O ATOM 1263 CB VAL A 80 7.001 8.760 -2.265 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.593 8.267 -2.530 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.905 7.619 -1.819 1.00 0.00 C ATOM 0 H VAL A 80 5.618 10.233 -3.686 1.00 0.00 H new ATOM 0 HA VAL A 80 8.369 10.128 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 80 6.972 9.485 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.207 7.773 -1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.953 9.112 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.605 7.560 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.484 7.147 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.984 6.883 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.896 8.009 -1.587 1.00 0.00 H new ATOM 1275 N ASP A 81 7.267 8.048 -5.466 1.00 0.00 N ATOM 1276 CA ASP A 81 7.647 7.057 -6.465 1.00 0.00 C ATOM 1277 C ASP A 81 8.573 7.675 -7.505 1.00 0.00 C ATOM 1278 O ASP A 81 8.984 7.017 -8.461 1.00 0.00 O ATOM 1279 CB ASP A 81 6.404 6.484 -7.148 1.00 0.00 C ATOM 1280 CG ASP A 81 6.700 5.207 -7.910 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.326 4.298 -7.324 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.306 5.115 -9.092 1.00 0.00 O ATOM 0 H ASP A 81 6.328 8.428 -5.587 1.00 0.00 H new ATOM 0 HA ASP A 81 8.176 6.249 -5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.639 6.287 -6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.995 7.226 -7.833 1.00 0.00 H new ATOM 1287 N GLY A 82 8.900 8.946 -7.303 1.00 0.00 N ATOM 1288 CA GLY A 82 9.777 9.642 -8.220 1.00 0.00 C ATOM 1289 C GLY A 82 9.070 10.084 -9.485 1.00 0.00 C ATOM 1290 O GLY A 82 9.668 10.104 -10.561 1.00 0.00 O ATOM 0 H GLY A 82 8.571 9.507 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.199 10.514 -7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.611 8.991 -8.483 1.00 0.00 H new ATOM 1294 N SER A 83 7.795 10.441 -9.360 1.00 0.00 N ATOM 1295 CA SER A 83 7.015 10.885 -10.508 1.00 0.00 C ATOM 1296 C SER A 83 6.222 12.147 -10.181 1.00 0.00 C ATOM 1297 O SER A 83 5.447 12.173 -9.230 1.00 0.00 O ATOM 1298 CB SER A 83 6.064 9.776 -10.964 1.00 0.00 C ATOM 1299 OG SER A 83 6.492 9.208 -12.190 1.00 0.00 O ATOM 0 H SER A 83 7.283 10.431 -8.478 1.00 0.00 H new ATOM 0 HA SER A 83 7.710 11.117 -11.315 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.011 9.001 -10.199 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.058 10.180 -11.078 1.00 0.00 H new ATOM 0 HG SER A 83 5.869 8.501 -12.458 1.00 0.00 H new ATOM 1305 N HIS A 84 6.421 13.192 -10.979 1.00 0.00 N ATOM 1306 CA HIS A 84 5.724 14.456 -10.772 1.00 0.00 C ATOM 1307 C HIS A 84 4.213 14.244 -10.734 1.00 0.00 C ATOM 1308 O HIS A 84 3.689 13.327 -11.368 1.00 0.00 O ATOM 1309 CB HIS A 84 6.084 15.449 -11.879 1.00 0.00 C ATOM 1310 CG HIS A 84 5.916 14.894 -13.260 1.00 0.00 C ATOM 1311 ND1 HIS A 84 4.710 14.887 -13.928 1.00 0.00 N ATOM 1312 CD2 HIS A 84 6.813 14.325 -14.101 1.00 0.00 C ATOM 1313 CE1 HIS A 84 4.871 14.338 -15.119 1.00 0.00 C ATOM 1314 NE2 HIS A 84 6.138 13.990 -15.249 1.00 0.00 N ATOM 0 H HIS A 84 7.059 13.188 -11.775 1.00 0.00 H new ATOM 0 HA HIS A 84 6.040 14.864 -9.812 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.461 16.337 -11.775 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.118 15.768 -11.748 1.00 0.00 H new ATOM 0 HD1 HIS A 84 3.830 15.249 -13.560 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.863 14.165 -13.905 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.098 14.198 -15.860 1.00 0.00 H new ATOM 1323 N VAL A 85 3.525 15.098 -9.986 1.00 0.00 N ATOM 1324 CA VAL A 85 2.074 15.013 -9.857 1.00 0.00 C ATOM 1325 C VAL A 85 1.399 15.015 -11.227 1.00 0.00 C ATOM 1326 O VAL A 85 1.937 15.556 -12.193 1.00 0.00 O ATOM 1327 CB VAL A 85 1.517 16.176 -9.011 1.00 0.00 C ATOM 1328 CG1 VAL A 85 0.003 16.112 -8.940 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.118 16.156 -7.616 1.00 0.00 C ATOM 0 H VAL A 85 3.950 15.860 -9.458 1.00 0.00 H new ATOM 0 HA VAL A 85 1.853 14.073 -9.352 1.00 0.00 H new ATOM 0 HB VAL A 85 1.796 17.113 -9.493 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.368 16.942 -8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.412 16.179 -9.946 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.300 15.169 -8.485 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.713 16.984 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.871 15.214 -7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.201 16.256 -7.685 1.00 0.00 H new ATOM 1339 N ASP A 86 0.221 14.399 -11.304 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.521 14.325 -12.558 1.00 0.00 C ATOM 1341 C ASP A 86 -1.756 15.222 -12.534 1.00 0.00 C ATOM 1342 O ASP A 86 -1.914 16.094 -13.390 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.936 12.880 -12.840 1.00 0.00 C ATOM 1344 CG ASP A 86 -0.287 12.326 -14.093 1.00 0.00 C ATOM 1345 OD1 ASP A 86 -0.793 12.613 -15.199 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.726 11.606 -13.970 1.00 0.00 O ATOM 0 H ASP A 86 -0.238 13.945 -10.514 1.00 0.00 H new ATOM 0 HA ASP A 86 0.137 14.677 -13.353 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.667 12.255 -11.988 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.020 12.830 -12.943 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.638 14.998 -11.563 1.00 0.00 N ATOM 1352 CA TYR A 87 -3.865 15.783 -11.451 1.00 0.00 C ATOM 1353 C TYR A 87 -3.863 16.659 -10.202 1.00 0.00 C ATOM 1354 O TYR A 87 -4.376 17.779 -10.223 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.083 14.859 -11.435 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.821 14.805 -12.754 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -6.846 15.700 -13.037 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -5.492 13.859 -13.717 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -7.521 15.654 -14.241 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -6.163 13.807 -14.924 1.00 0.00 C ATOM 1361 CZ TYR A 87 -7.177 14.706 -15.180 1.00 0.00 C ATOM 1362 OH TYR A 87 -7.848 14.656 -16.381 1.00 0.00 O ATOM 0 H TYR A 87 -2.527 14.282 -10.845 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.916 16.439 -12.320 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.761 13.853 -11.167 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.770 15.192 -10.657 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.119 16.444 -12.303 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.699 13.153 -13.519 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.314 16.358 -14.446 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.895 13.066 -15.663 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.482 13.931 -16.930 1.00 0.00 H new ATOM 1372 N SER A 88 -3.293 16.140 -9.117 1.00 0.00 N ATOM 1373 CA SER A 88 -3.229 16.867 -7.847 1.00 0.00 C ATOM 1374 C SER A 88 -4.629 17.178 -7.322 1.00 0.00 C ATOM 1375 O SER A 88 -5.592 17.225 -8.087 1.00 0.00 O ATOM 1376 CB SER A 88 -2.428 18.162 -7.999 1.00 0.00 C ATOM 1377 OG SER A 88 -1.965 18.337 -9.326 1.00 0.00 O ATOM 0 H SER A 88 -2.866 15.214 -9.090 1.00 0.00 H new ATOM 0 HA SER A 88 -2.723 16.226 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.050 19.011 -7.716 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.579 18.147 -7.316 1.00 0.00 H new ATOM 0 HG SER A 88 -1.459 19.174 -9.388 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.746 17.375 -6.009 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.040 17.662 -5.405 1.00 0.00 C ATOM 1385 C ASN A 89 -5.975 18.803 -4.386 1.00 0.00 C ATOM 1386 O ASN A 89 -7.018 19.318 -3.985 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.592 16.406 -4.730 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.028 15.348 -5.723 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.229 15.629 -6.904 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.179 14.120 -5.243 1.00 0.00 N ATOM 0 H ASN A 89 -3.967 17.341 -5.352 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.703 17.980 -6.210 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.830 15.988 -4.072 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.440 16.680 -4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.473 13.363 -5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.001 13.933 -4.256 1.00 0.00 H new ATOM 1592 N CYS A 104 4.675 18.242 2.022 1.00 0.00 N ATOM 1593 CA CYS A 104 3.852 17.040 1.938 1.00 0.00 C ATOM 1594 C CYS A 104 2.381 17.401 1.770 1.00 0.00 C ATOM 1595 O CYS A 104 1.939 18.484 2.162 1.00 0.00 O ATOM 1596 CB CYS A 104 4.035 16.163 3.181 1.00 0.00 C ATOM 1597 SG CYS A 104 3.430 16.921 4.725 1.00 0.00 S ATOM 0 HA CYS A 104 4.177 16.477 1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.515 15.218 3.025 1.00 0.00 H new ATOM 0 HB3 CYS A 104 5.094 15.929 3.294 1.00 0.00 H new ATOM 0 HG CYS A 104 3.627 16.103 5.716 1.00 0.00 H new ATOM 1602 N VAL A 105 1.622 16.487 1.182 1.00 0.00 N ATOM 1603 CA VAL A 105 0.206 16.705 0.964 1.00 0.00 C ATOM 1604 C VAL A 105 -0.627 15.773 1.834 1.00 0.00 C ATOM 1605 O VAL A 105 -0.313 14.592 1.984 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.165 16.509 -0.517 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.673 16.433 -0.698 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.410 17.641 -1.348 1.00 0.00 C ATOM 0 H VAL A 105 1.967 15.587 0.848 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.013 17.736 1.243 1.00 0.00 H new ATOM 0 HB VAL A 105 0.261 15.565 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.906 16.294 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.066 15.592 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.129 17.358 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.143 17.496 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.005 18.591 -0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.495 17.651 -1.248 1.00 0.00 H new ATOM 1618 N MET A 106 -1.689 16.322 2.405 1.00 0.00 N ATOM 1619 CA MET A 106 -2.580 15.564 3.267 1.00 0.00 C ATOM 1620 C MET A 106 -3.976 15.525 2.668 1.00 0.00 C ATOM 1621 O MET A 106 -4.272 16.246 1.720 1.00 0.00 O ATOM 1622 CB MET A 106 -2.625 16.180 4.666 1.00 0.00 C ATOM 1623 CG MET A 106 -2.991 17.655 4.672 1.00 0.00 C ATOM 1624 SD MET A 106 -2.987 18.365 6.330 1.00 0.00 S ATOM 1625 CE MET A 106 -4.149 19.712 6.125 1.00 0.00 C ATOM 0 H MET A 106 -1.955 17.299 2.284 1.00 0.00 H new ATOM 0 HA MET A 106 -2.200 14.546 3.349 1.00 0.00 H new ATOM 0 HB2 MET A 106 -3.348 15.633 5.271 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.652 16.054 5.140 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.287 18.202 4.045 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.979 17.782 4.229 1.00 0.00 H new ATOM 0 HE1 MET A 106 -4.254 20.249 7.068 1.00 0.00 H new ATOM 0 HE2 MET A 106 -3.783 20.395 5.358 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.118 19.314 5.824 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.510 16.975 -1.080 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.223 17.123 -0.418 1.00 0.00 C ATOM 1727 C TRP A 113 -5.977 18.556 -0.005 1.00 0.00 C ATOM 1728 O TRP A 113 -6.556 19.490 -0.554 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.060 16.781 -1.340 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.071 15.434 -1.969 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -5.896 14.378 -1.717 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.169 15.016 -2.984 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.553 13.320 -2.529 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.489 13.691 -3.316 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.115 15.653 -3.644 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.787 12.981 -4.287 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.419 14.950 -4.609 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.757 13.625 -4.923 1.00 0.00 C ATOM 0 HA TRP A 113 -6.268 16.448 0.437 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.028 17.526 -2.135 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.136 16.882 -0.771 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.696 14.372 -0.992 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.013 12.410 -2.544 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.850 16.672 -3.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.044 11.961 -4.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.602 15.428 -5.129 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.194 13.101 -5.682 1.00 0.00 H new ATOM 1749 N ASN A 114 -5.038 18.714 0.903 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.609 20.018 1.332 1.00 0.00 C ATOM 1751 C ASN A 114 -3.087 20.030 1.333 1.00 0.00 C ATOM 1752 O ASN A 114 -2.450 19.240 2.030 1.00 0.00 O ATOM 1753 CB ASN A 114 -5.151 20.340 2.726 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.661 20.480 2.742 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.352 19.780 3.483 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -7.181 21.386 1.922 1.00 0.00 N ATOM 0 H ASN A 114 -4.555 17.941 1.361 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.993 20.779 0.653 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.855 19.552 3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.699 21.265 3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.191 21.524 1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.570 21.944 1.325 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.514 20.914 0.535 1.00 0.00 N ATOM 1764 CA ASP A 115 -1.069 21.019 0.420 1.00 0.00 C ATOM 1765 C ASP A 115 -0.491 21.956 1.474 1.00 0.00 C ATOM 1766 O ASP A 115 -0.827 23.139 1.521 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.703 21.509 -0.976 1.00 0.00 C ATOM 1768 CG ASP A 115 0.796 21.532 -1.192 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.400 20.444 -1.292 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.368 22.640 -1.255 1.00 0.00 O ATOM 0 H ASP A 115 -3.031 21.574 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.640 20.031 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.167 20.863 -1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.107 22.510 -1.127 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.732 10.964 11.402 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.918 9.832 12.289 1.00 0.00 C ATOM 1893 C GLY A 123 -4.125 8.526 11.546 1.00 0.00 C ATOM 1894 O GLY A 123 -4.639 7.562 12.112 1.00 0.00 O ATOM 0 HA2 GLY A 123 -3.048 9.740 12.939 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.778 10.018 12.932 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.730 8.492 10.277 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.880 7.289 9.468 1.00 0.00 C ATOM 1900 C ALA A 124 -2.791 7.199 8.405 1.00 0.00 C ATOM 1901 O ALA A 124 -2.556 8.153 7.664 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.256 7.260 8.819 1.00 0.00 C ATOM 0 H ALA A 124 -3.305 9.281 9.789 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.779 6.425 10.125 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.356 6.357 8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.024 7.267 9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.376 8.136 8.181 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.140 6.040 8.323 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.091 5.827 7.337 1.00 0.00 C ATOM 1910 C TRP A 125 -1.616 4.941 6.220 1.00 0.00 C ATOM 1911 O TRP A 125 -2.219 3.896 6.474 1.00 0.00 O ATOM 1912 CB TRP A 125 0.149 5.197 7.979 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.145 3.960 8.771 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.679 3.899 10.023 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.087 2.606 8.366 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.801 2.590 10.422 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.335 1.777 9.422 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.609 2.013 7.212 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.252 0.388 9.359 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.691 0.635 7.151 1.00 0.00 C ATOM 1921 CH2 TRP A 125 0.262 -0.165 8.219 1.00 0.00 C ATOM 0 H TRP A 125 -2.322 5.238 8.927 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.798 6.793 6.925 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.868 4.954 7.197 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.622 5.931 8.631 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.965 4.755 10.616 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.177 2.275 11.316 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.942 2.621 6.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.582 -0.230 10.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 1.093 0.166 6.265 1.00 0.00 H new ATOM 0 HH2 TRP A 125 0.339 -1.239 8.140 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.412 5.370 4.982 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.899 4.611 3.848 1.00 0.00 C ATOM 1934 C VAL A 126 -0.833 4.420 2.774 1.00 0.00 C ATOM 1935 O VAL A 126 -0.201 5.373 2.318 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.142 5.280 3.228 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.105 6.785 3.436 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.260 4.944 1.753 1.00 0.00 C ATOM 0 H VAL A 126 -0.918 6.230 4.743 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.169 3.627 4.231 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.024 4.888 3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.992 7.236 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.084 7.004 4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.213 7.196 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.145 5.428 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.373 5.298 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.347 3.864 1.632 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.677 3.171 2.367 1.00 0.00 N ATOM 1949 CA CYS A 127 0.264 2.784 1.325 1.00 0.00 C ATOM 1950 C CYS A 127 -0.389 1.719 0.457 1.00 0.00 C ATOM 1951 O CYS A 127 -1.385 1.120 0.860 1.00 0.00 O ATOM 1952 CB CYS A 127 1.571 2.256 1.913 1.00 0.00 C ATOM 1953 SG CYS A 127 2.423 3.420 3.020 1.00 0.00 S ATOM 0 H CYS A 127 -1.205 2.388 2.754 1.00 0.00 H new ATOM 0 HA CYS A 127 0.511 3.662 0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.363 1.338 2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.243 1.993 1.096 1.00 0.00 H new ATOM 1958 N ASP A 128 0.152 1.481 -0.725 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.418 0.483 -1.611 1.00 0.00 C ATOM 1960 C ASP A 128 0.631 -0.523 -2.053 1.00 0.00 C ATOM 1961 O ASP A 128 1.793 -0.183 -2.254 1.00 0.00 O ATOM 1962 CB ASP A 128 -1.051 1.151 -2.833 1.00 0.00 C ATOM 1963 CG ASP A 128 -0.185 2.257 -3.406 1.00 0.00 C ATOM 1964 OD1 ASP A 128 1.051 2.192 -3.241 1.00 0.00 O ATOM 1965 OD2 ASP A 128 -0.745 3.189 -4.022 1.00 0.00 O ATOM 0 H ASP A 128 0.976 1.959 -1.090 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.191 -0.051 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.230 0.399 -3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -2.022 1.561 -2.556 1.00 0.00 H new ATOM 1970 N ARG A 129 0.196 -1.763 -2.207 1.00 0.00 N ATOM 1971 CA ARG A 129 1.073 -2.847 -2.626 1.00 0.00 C ATOM 1972 C ARG A 129 0.300 -3.861 -3.456 1.00 0.00 C ATOM 1973 O ARG A 129 -0.895 -4.067 -3.245 1.00 0.00 O ATOM 1974 CB ARG A 129 1.691 -3.535 -1.406 1.00 0.00 C ATOM 1975 CG ARG A 129 0.663 -4.132 -0.459 1.00 0.00 C ATOM 1976 CD ARG A 129 1.325 -4.772 0.750 1.00 0.00 C ATOM 1977 NE ARG A 129 1.227 -6.228 0.721 1.00 0.00 N ATOM 1978 CZ ARG A 129 1.018 -6.975 1.801 1.00 0.00 C ATOM 1979 NH1 ARG A 129 0.883 -6.405 2.991 1.00 0.00 N ATOM 1980 NH2 ARG A 129 0.942 -8.294 1.692 1.00 0.00 N ATOM 0 H ARG A 129 -0.770 -2.047 -2.046 1.00 0.00 H new ATOM 0 HA ARG A 129 1.873 -2.427 -3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.362 -4.324 -1.745 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.299 -2.813 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -0.025 -3.353 -0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.070 -4.878 -0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.375 -4.480 0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.859 -4.395 1.660 1.00 0.00 H new ATOM 0 HE ARG A 129 1.324 -6.699 -0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.939 -5.390 3.080 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.723 -6.981 3.817 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.044 -8.737 0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.782 -8.866 2.521 1.00 0.00 H new ATOM 1994 N LEU A 130 0.984 -4.490 -4.401 1.00 0.00 N ATOM 1995 CA LEU A 130 0.350 -5.479 -5.264 1.00 0.00 C ATOM 1996 C LEU A 130 0.156 -6.801 -4.532 1.00 0.00 C ATOM 1997 O LEU A 130 1.072 -7.306 -3.881 1.00 0.00 O ATOM 1998 CB LEU A 130 1.183 -5.692 -6.529 1.00 0.00 C ATOM 1999 CG LEU A 130 1.790 -4.420 -7.126 1.00 0.00 C ATOM 2000 CD1 LEU A 130 2.444 -4.718 -8.465 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.729 -3.337 -7.277 1.00 0.00 C ATOM 0 H LEU A 130 1.974 -4.335 -4.590 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.632 -5.100 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.989 -6.389 -6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.555 -6.166 -7.284 1.00 0.00 H new ATOM 0 HG LEU A 130 2.557 -4.054 -6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.870 -3.802 -8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.235 -5.456 -8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.697 -5.111 -9.155 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.181 -2.441 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.063 -3.693 -7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.308 -3.101 -6.300 1.00 0.00 H new