USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 CYS SG : rot 126:sc= -0.556! USER MOD Set 1.2: A 82 CYS SG : rot 67:sc= -0.365 USER MOD Single : A 34 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.061) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 44 CYS SG : rot -29:sc= -1.5 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -21:sc= 1.15 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0385 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.324 USER MOD Single : A 58 GLN : amide:sc= -0.971 K(o=-0.97,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.502 USER MOD Single : A 76 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.14) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0374) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0335) USER MOD Single : A 97 ASN : amide:sc= -1.52! K(o=-1.5!,f=-0.07) USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= -0.0221 (180deg=-0.163) USER MOD Single : A 99 MET CE :methyl 168:sc= 0 (180deg=-0.0431) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.372 -7.462 8.255 1.00 0.00 N ATOM 143 CA GLN A 34 -7.144 -8.683 7.491 1.00 0.00 C ATOM 144 C GLN A 34 -5.917 -8.539 6.599 1.00 0.00 C ATOM 145 O GLN A 34 -5.288 -9.530 6.225 1.00 0.00 O ATOM 146 CB GLN A 34 -8.373 -9.010 6.639 1.00 0.00 C ATOM 147 CG GLN A 34 -9.648 -9.170 7.451 1.00 0.00 C ATOM 148 CD GLN A 34 -9.562 -10.304 8.452 1.00 0.00 C ATOM 149 OE1 GLN A 34 -9.918 -11.443 8.149 1.00 0.00 O ATOM 150 NE2 GLN A 34 -9.085 -9.997 9.653 1.00 0.00 N ATOM 0 HA GLN A 34 -6.969 -9.498 8.193 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.517 -8.218 5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.187 -9.930 6.085 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.858 -8.240 7.979 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.485 -9.349 6.776 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.802 -9.039 9.860 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.002 -10.719 10.369 1.00 0.00 H new ATOM 159 N TRP A 35 -5.579 -7.297 6.266 1.00 0.00 N ATOM 160 CA TRP A 35 -4.428 -7.017 5.417 1.00 0.00 C ATOM 161 C TRP A 35 -3.122 -7.331 6.137 1.00 0.00 C ATOM 162 O TRP A 35 -2.684 -6.577 7.008 1.00 0.00 O ATOM 163 CB TRP A 35 -4.437 -5.554 4.972 1.00 0.00 C ATOM 164 CG TRP A 35 -5.466 -5.252 3.926 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.817 -5.418 4.030 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.224 -4.728 2.617 1.00 0.00 C ATOM 167 NE1 TRP A 35 -7.430 -5.033 2.862 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.473 -4.604 1.980 1.00 0.00 C ATOM 169 CE3 TRP A 35 -4.073 -4.351 1.920 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.602 -4.119 0.680 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.200 -3.870 0.631 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.457 -3.757 0.023 1.00 0.00 C ATOM 0 H TRP A 35 -6.088 -6.468 6.572 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.498 -7.659 4.539 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.617 -4.920 5.840 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.451 -5.294 4.586 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.329 -5.796 4.902 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.433 -5.062 2.681 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.100 -4.434 2.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.570 -4.032 0.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.316 -3.577 0.084 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.524 -3.376 -0.985 1.00 0.00 H new ATOM 183 N SER A 36 -2.505 -8.449 5.770 1.00 0.00 N ATOM 184 CA SER A 36 -1.243 -8.863 6.373 1.00 0.00 C ATOM 185 C SER A 36 -0.075 -8.516 5.459 1.00 0.00 C ATOM 186 O SER A 36 -0.245 -7.814 4.463 1.00 0.00 O ATOM 187 CB SER A 36 -1.256 -10.367 6.658 1.00 0.00 C ATOM 188 OG SER A 36 -2.301 -10.709 7.551 1.00 0.00 O ATOM 0 H SER A 36 -2.859 -9.086 5.056 1.00 0.00 H new ATOM 0 HA SER A 36 -1.121 -8.327 7.314 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.378 -10.916 5.724 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.298 -10.668 7.082 1.00 0.00 H new ATOM 0 HG SER A 36 -2.288 -11.675 7.715 1.00 0.00 H new ATOM 194 N VAL A 37 1.113 -9.004 5.806 1.00 0.00 N ATOM 195 CA VAL A 37 2.310 -8.744 5.015 1.00 0.00 C ATOM 196 C VAL A 37 2.100 -9.123 3.550 1.00 0.00 C ATOM 197 O VAL A 37 2.352 -8.323 2.650 1.00 0.00 O ATOM 198 CB VAL A 37 3.528 -9.512 5.572 1.00 0.00 C ATOM 199 CG1 VAL A 37 4.716 -9.405 4.628 1.00 0.00 C ATOM 200 CG2 VAL A 37 3.899 -8.996 6.953 1.00 0.00 C ATOM 0 H VAL A 37 1.271 -9.582 6.631 1.00 0.00 H new ATOM 0 HA VAL A 37 2.506 -7.674 5.080 1.00 0.00 H new ATOM 0 HB VAL A 37 3.254 -10.564 5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.561 -9.954 5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.450 -9.827 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.990 -8.357 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.759 -9.549 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.148 -7.937 6.891 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.056 -9.132 7.631 1.00 0.00 H new ATOM 210 N ASP A 38 1.633 -10.347 3.318 1.00 0.00 N ATOM 211 CA ASP A 38 1.395 -10.834 1.963 1.00 0.00 C ATOM 212 C ASP A 38 0.386 -9.959 1.224 1.00 0.00 C ATOM 213 O ASP A 38 0.452 -9.818 0.003 1.00 0.00 O ATOM 214 CB ASP A 38 0.898 -12.282 2.003 1.00 0.00 C ATOM 215 CG ASP A 38 0.569 -12.821 0.624 1.00 0.00 C ATOM 216 OD1 ASP A 38 1.481 -13.362 -0.036 1.00 0.00 O ATOM 217 OD2 ASP A 38 -0.602 -12.704 0.204 1.00 0.00 O ATOM 0 H ASP A 38 1.412 -11.020 4.052 1.00 0.00 H new ATOM 0 HA ASP A 38 2.340 -10.790 1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.659 -12.912 2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.011 -12.341 2.634 1.00 0.00 H new ATOM 222 N ASP A 39 -0.547 -9.372 1.969 1.00 0.00 N ATOM 223 CA ASP A 39 -1.573 -8.520 1.376 1.00 0.00 C ATOM 224 C ASP A 39 -0.999 -7.176 0.929 1.00 0.00 C ATOM 225 O ASP A 39 -1.191 -6.761 -0.214 1.00 0.00 O ATOM 226 CB ASP A 39 -2.712 -8.293 2.372 1.00 0.00 C ATOM 227 CG ASP A 39 -3.438 -9.578 2.723 1.00 0.00 C ATOM 228 OD1 ASP A 39 -2.894 -10.368 3.522 1.00 0.00 O ATOM 229 OD2 ASP A 39 -4.552 -9.792 2.199 1.00 0.00 O ATOM 0 H ASP A 39 -0.613 -9.471 2.982 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.958 -9.032 0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.312 -7.845 3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.422 -7.581 1.952 1.00 0.00 H new ATOM 234 N VAL A 40 -0.299 -6.500 1.835 1.00 0.00 N ATOM 235 CA VAL A 40 0.293 -5.199 1.535 1.00 0.00 C ATOM 236 C VAL A 40 1.314 -5.297 0.406 1.00 0.00 C ATOM 237 O VAL A 40 1.432 -4.389 -0.416 1.00 0.00 O ATOM 238 CB VAL A 40 0.976 -4.590 2.775 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.495 -3.193 2.471 1.00 0.00 C ATOM 240 CG2 VAL A 40 0.015 -4.564 3.954 1.00 0.00 C ATOM 0 H VAL A 40 -0.127 -6.831 2.784 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.526 -4.551 1.223 1.00 0.00 H new ATOM 0 HB VAL A 40 1.827 -5.217 3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.973 -2.781 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.220 -3.243 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.664 -2.552 2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.514 -4.131 4.821 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.857 -3.962 3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.301 -5.580 4.188 1.00 0.00 H new ATOM 250 N ILE A 41 2.051 -6.401 0.374 1.00 0.00 N ATOM 251 CA ILE A 41 3.064 -6.613 -0.652 1.00 0.00 C ATOM 252 C ILE A 41 2.431 -6.814 -2.025 1.00 0.00 C ATOM 253 O ILE A 41 2.726 -6.076 -2.966 1.00 0.00 O ATOM 254 CB ILE A 41 3.953 -7.829 -0.319 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.764 -7.559 0.950 1.00 0.00 C ATOM 256 CG2 ILE A 41 4.875 -8.154 -1.485 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.555 -8.757 1.430 1.00 0.00 C ATOM 0 H ILE A 41 1.966 -7.163 1.047 1.00 0.00 H new ATOM 0 HA ILE A 41 3.682 -5.716 -0.675 1.00 0.00 H new ATOM 0 HB ILE A 41 3.310 -8.692 -0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.450 -6.732 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.087 -7.240 1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.494 -9.014 -1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.278 -8.384 -2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.514 -7.296 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.105 -8.492 2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.874 -9.579 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.257 -9.064 0.655 1.00 0.00 H new ATOM 269 N THR A 42 1.561 -7.814 -2.131 1.00 0.00 N ATOM 270 CA THR A 42 0.889 -8.117 -3.392 1.00 0.00 C ATOM 271 C THR A 42 0.296 -6.861 -4.024 1.00 0.00 C ATOM 272 O THR A 42 0.355 -6.683 -5.241 1.00 0.00 O ATOM 273 CB THR A 42 -0.230 -9.160 -3.198 1.00 0.00 C ATOM 274 OG1 THR A 42 0.303 -10.347 -2.596 1.00 0.00 O ATOM 275 CG2 THR A 42 -0.877 -9.514 -4.529 1.00 0.00 C ATOM 0 H THR A 42 1.304 -8.429 -1.359 1.00 0.00 H new ATOM 0 HA THR A 42 1.647 -8.528 -4.059 1.00 0.00 H new ATOM 0 HB THR A 42 -0.987 -8.727 -2.544 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.150 -10.320 -1.628 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.663 -10.251 -4.367 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.307 -8.617 -4.974 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.125 -9.928 -5.201 1.00 0.00 H new ATOM 283 N TRP A 43 -0.272 -5.990 -3.194 1.00 0.00 N ATOM 284 CA TRP A 43 -0.868 -4.752 -3.684 1.00 0.00 C ATOM 285 C TRP A 43 0.216 -3.739 -4.044 1.00 0.00 C ATOM 286 O TRP A 43 0.100 -3.017 -5.034 1.00 0.00 O ATOM 287 CB TRP A 43 -1.813 -4.158 -2.636 1.00 0.00 C ATOM 288 CG TRP A 43 -2.598 -2.987 -3.145 1.00 0.00 C ATOM 289 CD1 TRP A 43 -3.561 -3.007 -4.113 1.00 0.00 C ATOM 290 CD2 TRP A 43 -2.489 -1.625 -2.715 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.055 -1.741 -4.314 1.00 0.00 N ATOM 292 CE2 TRP A 43 -3.414 -0.876 -3.468 1.00 0.00 C ATOM 293 CE3 TRP A 43 -1.700 -0.965 -1.768 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -3.571 0.498 -3.302 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -1.858 0.399 -1.604 1.00 0.00 C ATOM 296 CH2 TRP A 43 -2.787 1.117 -2.368 1.00 0.00 C ATOM 0 H TRP A 43 -0.332 -6.118 -2.184 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.441 -4.984 -4.581 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.503 -4.931 -2.299 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.233 -3.848 -1.767 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -3.887 -3.890 -4.643 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.781 -1.487 -4.984 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.980 -1.510 -1.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.286 1.054 -3.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.255 0.919 -0.875 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.886 2.182 -2.216 1.00 0.00 H new ATOM 307 N CYS A 44 1.266 -3.693 -3.230 1.00 0.00 N ATOM 308 CA CYS A 44 2.381 -2.779 -3.461 1.00 0.00 C ATOM 309 C CYS A 44 3.138 -3.164 -4.728 1.00 0.00 C ATOM 310 O CYS A 44 3.995 -2.422 -5.206 1.00 0.00 O ATOM 311 CB CYS A 44 3.323 -2.770 -2.257 1.00 0.00 C ATOM 312 SG CYS A 44 4.729 -1.644 -2.423 1.00 0.00 S ATOM 0 H CYS A 44 1.369 -4.280 -2.402 1.00 0.00 H new ATOM 0 HA CYS A 44 1.979 -1.774 -3.594 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.755 -2.496 -1.368 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.698 -3.781 -2.096 1.00 0.00 H new ATOM 0 HG CYS A 44 5.033 -1.511 -3.680 1.00 0.00 H new ATOM 318 N ILE A 45 2.847 -4.350 -5.244 1.00 0.00 N ATOM 319 CA ILE A 45 3.482 -4.831 -6.462 1.00 0.00 C ATOM 320 C ILE A 45 2.480 -4.865 -7.614 1.00 0.00 C ATOM 321 O ILE A 45 2.858 -4.922 -8.785 1.00 0.00 O ATOM 322 CB ILE A 45 4.071 -6.240 -6.259 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.035 -6.240 -5.072 1.00 0.00 C ATOM 324 CG2 ILE A 45 4.773 -6.711 -7.522 1.00 0.00 C ATOM 325 CD1 ILE A 45 5.581 -7.610 -4.734 1.00 0.00 C ATOM 0 H ILE A 45 2.173 -4.998 -4.836 1.00 0.00 H new ATOM 0 HA ILE A 45 4.290 -4.141 -6.706 1.00 0.00 H new ATOM 0 HB ILE A 45 3.257 -6.933 -6.045 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.867 -5.570 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.522 -5.837 -4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.183 -7.708 -7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.059 -6.741 -8.345 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.581 -6.022 -7.768 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.257 -7.532 -3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.757 -8.278 -4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.123 -8.008 -5.592 1.00 0.00 H new ATOM 337 N SER A 46 1.197 -4.817 -7.270 1.00 0.00 N ATOM 338 CA SER A 46 0.129 -4.858 -8.263 1.00 0.00 C ATOM 339 C SER A 46 0.133 -3.620 -9.158 1.00 0.00 C ATOM 340 O SER A 46 0.504 -3.694 -10.329 1.00 0.00 O ATOM 341 CB SER A 46 -1.229 -4.995 -7.574 1.00 0.00 C ATOM 342 OG SER A 46 -2.278 -5.057 -8.523 1.00 0.00 O ATOM 0 H SER A 46 0.870 -4.749 -6.306 1.00 0.00 H new ATOM 0 HA SER A 46 0.307 -5.727 -8.896 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.238 -5.894 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.388 -4.149 -6.906 1.00 0.00 H new ATOM 0 HG SER A 46 -3.136 -5.146 -8.057 1.00 0.00 H new ATOM 348 N THR A 47 -0.284 -2.482 -8.604 1.00 0.00 N ATOM 349 CA THR A 47 -0.347 -1.240 -9.371 1.00 0.00 C ATOM 350 C THR A 47 0.458 -0.121 -8.719 1.00 0.00 C ATOM 351 O THR A 47 0.410 1.025 -9.166 1.00 0.00 O ATOM 352 CB THR A 47 -1.804 -0.768 -9.535 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.850 0.442 -10.300 1.00 0.00 O ATOM 354 CG2 THR A 47 -2.460 -0.543 -8.180 1.00 0.00 C ATOM 0 H THR A 47 -0.582 -2.395 -7.632 1.00 0.00 H new ATOM 0 HA THR A 47 0.086 -1.459 -10.347 1.00 0.00 H new ATOM 0 HB THR A 47 -2.353 -1.549 -10.061 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.975 0.882 -10.269 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.488 -0.210 -8.324 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.456 -1.475 -7.615 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.906 0.218 -7.629 1.00 0.00 H new ATOM 362 N LEU A 48 1.202 -0.448 -7.669 1.00 0.00 N ATOM 363 CA LEU A 48 1.996 0.554 -6.971 1.00 0.00 C ATOM 364 C LEU A 48 3.094 1.109 -7.875 1.00 0.00 C ATOM 365 O LEU A 48 3.037 2.268 -8.286 1.00 0.00 O ATOM 366 CB LEU A 48 2.621 -0.049 -5.711 1.00 0.00 C ATOM 367 CG LEU A 48 2.815 0.910 -4.531 1.00 0.00 C ATOM 368 CD1 LEU A 48 3.545 2.174 -4.963 1.00 0.00 C ATOM 369 CD2 LEU A 48 1.476 1.249 -3.894 1.00 0.00 C ATOM 0 H LEU A 48 1.272 -1.391 -7.285 1.00 0.00 H new ATOM 0 HA LEU A 48 1.333 1.372 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.995 -0.878 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.592 -0.468 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 48 3.433 0.409 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.668 2.835 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.525 1.910 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.966 2.684 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.633 1.931 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.831 1.724 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.003 0.336 -3.533 1.00 0.00 H new ATOM 381 N GLU A 49 4.092 0.282 -8.182 1.00 0.00 N ATOM 382 CA GLU A 49 5.193 0.718 -9.035 1.00 0.00 C ATOM 383 C GLU A 49 5.680 -0.386 -9.973 1.00 0.00 C ATOM 384 O GLU A 49 5.275 -0.455 -11.134 1.00 0.00 O ATOM 385 CB GLU A 49 6.360 1.220 -8.184 1.00 0.00 C ATOM 386 CG GLU A 49 7.497 1.809 -9.004 1.00 0.00 C ATOM 387 CD GLU A 49 7.077 3.046 -9.775 1.00 0.00 C ATOM 388 OE1 GLU A 49 7.183 4.157 -9.217 1.00 0.00 O ATOM 389 OE2 GLU A 49 6.641 2.901 -10.937 1.00 0.00 O ATOM 0 H GLU A 49 4.160 -0.682 -7.857 1.00 0.00 H new ATOM 0 HA GLU A 49 4.809 1.530 -9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.994 1.976 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.744 0.395 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.325 2.061 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.865 1.057 -9.702 1.00 0.00 H new ATOM 396 N VAL A 50 6.554 -1.247 -9.453 1.00 0.00 N ATOM 397 CA VAL A 50 7.139 -2.328 -10.241 1.00 0.00 C ATOM 398 C VAL A 50 6.432 -3.664 -10.018 1.00 0.00 C ATOM 399 O VAL A 50 5.399 -3.735 -9.353 1.00 0.00 O ATOM 400 CB VAL A 50 8.636 -2.495 -9.906 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.371 -1.174 -10.075 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.814 -3.027 -8.490 1.00 0.00 C ATOM 0 H VAL A 50 6.873 -1.215 -8.485 1.00 0.00 H new ATOM 0 HA VAL A 50 7.015 -2.047 -11.287 1.00 0.00 H new ATOM 0 HB VAL A 50 9.063 -3.219 -10.600 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.425 -1.311 -9.834 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.275 -0.834 -11.106 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.940 -0.430 -9.406 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.877 -3.138 -8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.370 -2.329 -7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.323 -3.996 -8.401 1.00 0.00 H new ATOM 412 N GLU A 51 7.012 -4.717 -10.590 1.00 0.00 N ATOM 413 CA GLU A 51 6.470 -6.067 -10.474 1.00 0.00 C ATOM 414 C GLU A 51 7.283 -6.889 -9.478 1.00 0.00 C ATOM 415 O GLU A 51 8.138 -6.351 -8.773 1.00 0.00 O ATOM 416 CB GLU A 51 6.481 -6.754 -11.839 1.00 0.00 C ATOM 417 CG GLU A 51 7.836 -6.702 -12.526 1.00 0.00 C ATOM 418 CD GLU A 51 7.908 -7.602 -13.746 1.00 0.00 C ATOM 419 OE1 GLU A 51 8.203 -8.803 -13.580 1.00 0.00 O ATOM 420 OE2 GLU A 51 7.670 -7.103 -14.866 1.00 0.00 O ATOM 0 H GLU A 51 7.866 -4.658 -11.144 1.00 0.00 H new ATOM 0 HA GLU A 51 5.444 -5.996 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.183 -7.795 -11.717 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.737 -6.283 -12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.049 -5.675 -12.824 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.610 -6.995 -11.817 1.00 0.00 H new ATOM 427 N GLU A 52 7.016 -8.194 -9.419 1.00 0.00 N ATOM 428 CA GLU A 52 7.736 -9.072 -8.501 1.00 0.00 C ATOM 429 C GLU A 52 9.120 -9.407 -9.047 1.00 0.00 C ATOM 430 O GLU A 52 9.362 -10.515 -9.527 1.00 0.00 O ATOM 431 CB GLU A 52 6.947 -10.362 -8.264 1.00 0.00 C ATOM 432 CG GLU A 52 5.564 -10.134 -7.678 1.00 0.00 C ATOM 433 CD GLU A 52 4.810 -11.428 -7.445 1.00 0.00 C ATOM 434 OE1 GLU A 52 4.943 -12.003 -6.344 1.00 0.00 O ATOM 435 OE2 GLU A 52 4.084 -11.867 -8.362 1.00 0.00 O ATOM 0 H GLU A 52 6.313 -8.662 -9.991 1.00 0.00 H new ATOM 0 HA GLU A 52 7.851 -8.546 -7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.848 -10.895 -9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.515 -11.006 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.657 -9.597 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.988 -9.498 -8.351 1.00 0.00 H new ATOM 442 N THR A 53 10.019 -8.433 -8.976 1.00 0.00 N ATOM 443 CA THR A 53 11.388 -8.608 -9.442 1.00 0.00 C ATOM 444 C THR A 53 12.358 -7.878 -8.524 1.00 0.00 C ATOM 445 O THR A 53 13.378 -8.425 -8.107 1.00 0.00 O ATOM 446 CB THR A 53 11.569 -8.092 -10.882 1.00 0.00 C ATOM 447 OG1 THR A 53 11.145 -6.727 -10.970 1.00 0.00 O ATOM 448 CG2 THR A 53 10.774 -8.939 -11.865 1.00 0.00 C ATOM 0 H THR A 53 9.822 -7.507 -8.597 1.00 0.00 H new ATOM 0 HA THR A 53 11.600 -9.677 -9.428 1.00 0.00 H new ATOM 0 HB THR A 53 12.626 -8.162 -11.139 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.265 -6.406 -11.888 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.918 -8.555 -12.875 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.119 -9.972 -11.817 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.716 -8.897 -11.608 1.00 0.00 H new ATOM 456 N ASP A 54 12.019 -6.629 -8.217 1.00 0.00 N ATOM 457 CA ASP A 54 12.839 -5.792 -7.352 1.00 0.00 C ATOM 458 C ASP A 54 12.696 -6.220 -5.887 1.00 0.00 C ATOM 459 O ASP A 54 11.608 -6.593 -5.450 1.00 0.00 O ATOM 460 CB ASP A 54 12.430 -4.326 -7.519 1.00 0.00 C ATOM 461 CG ASP A 54 13.266 -3.387 -6.671 1.00 0.00 C ATOM 462 OD1 ASP A 54 14.358 -2.988 -7.129 1.00 0.00 O ATOM 463 OD2 ASP A 54 12.831 -3.049 -5.552 1.00 0.00 O ATOM 0 H ASP A 54 11.173 -6.173 -8.559 1.00 0.00 H new ATOM 0 HA ASP A 54 13.884 -5.909 -7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.524 -4.044 -8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.379 -4.213 -7.252 1.00 0.00 H new ATOM 468 N PRO A 55 13.797 -6.170 -5.108 1.00 0.00 N ATOM 469 CA PRO A 55 13.788 -6.560 -3.689 1.00 0.00 C ATOM 470 C PRO A 55 12.836 -5.718 -2.838 1.00 0.00 C ATOM 471 O PRO A 55 12.737 -5.921 -1.628 1.00 0.00 O ATOM 472 CB PRO A 55 15.236 -6.337 -3.238 1.00 0.00 C ATOM 473 CG PRO A 55 16.037 -6.325 -4.493 1.00 0.00 C ATOM 474 CD PRO A 55 15.140 -5.743 -5.545 1.00 0.00 C ATOM 0 HA PRO A 55 13.438 -7.585 -3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.339 -5.397 -2.696 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.566 -7.130 -2.567 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.940 -5.727 -4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.355 -7.332 -4.764 1.00 0.00 H new ATOM 0 HD2 PRO A 55 15.223 -4.657 -5.591 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.382 -6.124 -6.537 1.00 0.00 H new ATOM 482 N LEU A 56 12.151 -4.770 -3.471 1.00 0.00 N ATOM 483 CA LEU A 56 11.208 -3.898 -2.772 1.00 0.00 C ATOM 484 C LEU A 56 10.260 -4.700 -1.883 1.00 0.00 C ATOM 485 O LEU A 56 9.908 -4.267 -0.785 1.00 0.00 O ATOM 486 CB LEU A 56 10.407 -3.075 -3.786 1.00 0.00 C ATOM 487 CG LEU A 56 9.237 -2.276 -3.205 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.129 -0.921 -3.886 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.936 -3.050 -3.360 1.00 0.00 C ATOM 0 H LEU A 56 12.231 -4.585 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 56 11.781 -3.227 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.086 -2.383 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.021 -3.748 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 56 9.422 -2.117 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.293 -0.366 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.052 -0.362 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.965 -1.063 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.114 -2.468 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.747 -3.237 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.013 -4.000 -2.832 1.00 0.00 H new ATOM 501 N CYS A 57 9.848 -5.867 -2.365 1.00 0.00 N ATOM 502 CA CYS A 57 8.938 -6.726 -1.615 1.00 0.00 C ATOM 503 C CYS A 57 9.608 -7.277 -0.360 1.00 0.00 C ATOM 504 O CYS A 57 8.974 -7.403 0.688 1.00 0.00 O ATOM 505 CB CYS A 57 8.454 -7.879 -2.496 1.00 0.00 C ATOM 506 SG CYS A 57 9.777 -8.959 -3.089 1.00 0.00 S ATOM 0 H CYS A 57 10.129 -6.240 -3.272 1.00 0.00 H new ATOM 0 HA CYS A 57 8.083 -6.123 -1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.737 -8.476 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.923 -7.468 -3.354 1.00 0.00 H new ATOM 0 HG CYS A 57 9.269 -9.904 -3.823 1.00 0.00 H new ATOM 512 N GLN A 58 10.892 -7.603 -0.473 1.00 0.00 N ATOM 513 CA GLN A 58 11.647 -8.147 0.651 1.00 0.00 C ATOM 514 C GLN A 58 11.880 -7.087 1.723 1.00 0.00 C ATOM 515 O GLN A 58 11.768 -7.364 2.917 1.00 0.00 O ATOM 516 CB GLN A 58 12.986 -8.702 0.167 1.00 0.00 C ATOM 517 CG GLN A 58 12.850 -9.780 -0.898 1.00 0.00 C ATOM 518 CD GLN A 58 14.189 -10.337 -1.346 1.00 0.00 C ATOM 519 OE1 GLN A 58 14.291 -11.505 -1.724 1.00 0.00 O ATOM 520 NE2 GLN A 58 15.223 -9.503 -1.313 1.00 0.00 N ATOM 0 H GLN A 58 11.432 -7.500 -1.332 1.00 0.00 H new ATOM 0 HA GLN A 58 11.061 -8.954 1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.586 -7.884 -0.231 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.529 -9.111 1.019 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.235 -10.592 -0.510 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.326 -9.368 -1.761 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.094 -8.543 -0.993 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.146 -9.823 -1.608 1.00 0.00 H new ATOM 529 N ARG A 59 12.207 -5.873 1.291 1.00 0.00 N ATOM 530 CA ARG A 59 12.459 -4.773 2.216 1.00 0.00 C ATOM 531 C ARG A 59 11.217 -4.455 3.041 1.00 0.00 C ATOM 532 O ARG A 59 11.308 -4.162 4.233 1.00 0.00 O ATOM 533 CB ARG A 59 12.909 -3.526 1.449 1.00 0.00 C ATOM 534 CG ARG A 59 14.187 -3.725 0.650 1.00 0.00 C ATOM 535 CD ARG A 59 15.376 -4.010 1.554 1.00 0.00 C ATOM 536 NE ARG A 59 16.614 -4.162 0.797 1.00 0.00 N ATOM 537 CZ ARG A 59 17.782 -4.479 1.347 1.00 0.00 C ATOM 538 NH1 ARG A 59 17.870 -4.678 2.656 1.00 0.00 N ATOM 539 NH2 ARG A 59 18.863 -4.596 0.590 1.00 0.00 N ATOM 0 H ARG A 59 12.304 -5.626 0.306 1.00 0.00 H new ATOM 0 HA ARG A 59 13.253 -5.081 2.896 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.112 -3.220 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.057 -2.710 2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.055 -4.551 -0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.387 -2.834 0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.488 -3.198 2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.187 -4.918 2.126 1.00 0.00 H new ATOM 0 HE ARG A 59 16.581 -4.017 -0.212 1.00 0.00 H new ATOM 0 HH11 ARG A 59 17.040 -4.588 3.242 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.767 -4.921 3.076 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.800 -4.443 -0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 59 19.758 -4.839 1.014 1.00 0.00 H new ATOM 553 N LEU A 60 10.055 -4.517 2.398 1.00 0.00 N ATOM 554 CA LEU A 60 8.794 -4.234 3.061 1.00 0.00 C ATOM 555 C LEU A 60 8.318 -5.446 3.864 1.00 0.00 C ATOM 556 O LEU A 60 7.577 -5.306 4.837 1.00 0.00 O ATOM 557 CB LEU A 60 7.751 -3.833 2.014 1.00 0.00 C ATOM 558 CG LEU A 60 6.296 -4.007 2.436 1.00 0.00 C ATOM 559 CD1 LEU A 60 5.939 -3.040 3.555 1.00 0.00 C ATOM 560 CD2 LEU A 60 5.370 -3.812 1.244 1.00 0.00 C ATOM 0 H LEU A 60 9.964 -4.763 1.412 1.00 0.00 H new ATOM 0 HA LEU A 60 8.935 -3.410 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.912 -2.788 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.922 -4.421 1.112 1.00 0.00 H new ATOM 0 HG LEU A 60 6.168 -5.022 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.897 -3.182 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.579 -3.228 4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.085 -2.016 3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.335 -3.940 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.504 -2.809 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.606 -4.548 0.475 1.00 0.00 H new ATOM 572 N ARG A 61 8.757 -6.632 3.452 1.00 0.00 N ATOM 573 CA ARG A 61 8.381 -7.868 4.129 1.00 0.00 C ATOM 574 C ARG A 61 9.030 -7.958 5.508 1.00 0.00 C ATOM 575 O ARG A 61 8.363 -8.267 6.495 1.00 0.00 O ATOM 576 CB ARG A 61 8.779 -9.078 3.281 1.00 0.00 C ATOM 577 CG ARG A 61 8.451 -10.413 3.930 1.00 0.00 C ATOM 578 CD ARG A 61 8.825 -11.577 3.027 1.00 0.00 C ATOM 579 NE ARG A 61 8.575 -12.868 3.664 1.00 0.00 N ATOM 580 CZ ARG A 61 8.682 -14.034 3.034 1.00 0.00 C ATOM 581 NH1 ARG A 61 9.025 -14.071 1.753 1.00 0.00 N ATOM 582 NH2 ARG A 61 8.446 -15.166 3.684 1.00 0.00 N ATOM 0 H ARG A 61 9.375 -6.763 2.651 1.00 0.00 H new ATOM 0 HA ARG A 61 7.299 -7.865 4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.272 -9.018 2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.850 -9.034 3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.984 -10.499 4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.386 -10.456 4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.255 -11.514 2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.879 -11.503 2.759 1.00 0.00 H new ATOM 0 HE ARG A 61 8.303 -12.875 4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.207 -13.203 1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.106 -14.967 1.272 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.182 -15.143 4.669 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.529 -16.059 3.199 1.00 0.00 H new ATOM 596 N GLU A 62 10.334 -7.693 5.567 1.00 0.00 N ATOM 597 CA GLU A 62 11.066 -7.742 6.830 1.00 0.00 C ATOM 598 C GLU A 62 10.392 -6.858 7.870 1.00 0.00 C ATOM 599 O GLU A 62 10.135 -7.288 8.995 1.00 0.00 O ATOM 600 CB GLU A 62 12.518 -7.303 6.631 1.00 0.00 C ATOM 601 CG GLU A 62 13.312 -8.217 5.715 1.00 0.00 C ATOM 602 CD GLU A 62 14.773 -7.822 5.621 1.00 0.00 C ATOM 603 OE1 GLU A 62 15.103 -6.963 4.776 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.588 -8.372 6.392 1.00 0.00 O ATOM 0 H GLU A 62 10.903 -7.443 4.758 1.00 0.00 H new ATOM 0 HA GLU A 62 11.060 -8.772 7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.530 -6.293 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.011 -7.259 7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.239 -9.242 6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.870 -8.200 4.719 1.00 0.00 H new ATOM 611 N ASN A 63 10.110 -5.618 7.487 1.00 0.00 N ATOM 612 CA ASN A 63 9.454 -4.680 8.383 1.00 0.00 C ATOM 613 C ASN A 63 7.959 -4.967 8.437 1.00 0.00 C ATOM 614 O ASN A 63 7.190 -4.443 7.633 1.00 0.00 O ATOM 615 CB ASN A 63 9.694 -3.240 7.925 1.00 0.00 C ATOM 616 CG ASN A 63 11.168 -2.928 7.748 1.00 0.00 C ATOM 617 OD1 ASN A 63 12.023 -3.503 8.423 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.473 -2.013 6.836 1.00 0.00 N ATOM 0 H ASN A 63 10.326 -5.242 6.564 1.00 0.00 H new ATOM 0 HA ASN A 63 9.877 -4.802 9.380 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.174 -3.070 6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.265 -2.553 8.655 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.448 -1.762 6.672 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.733 -1.561 6.299 1.00 0.00 H new ATOM 625 N ASP A 64 7.563 -5.827 9.371 1.00 0.00 N ATOM 626 CA ASP A 64 6.159 -6.192 9.531 1.00 0.00 C ATOM 627 C ASP A 64 5.279 -4.951 9.643 1.00 0.00 C ATOM 628 O ASP A 64 5.126 -4.379 10.723 1.00 0.00 O ATOM 629 CB ASP A 64 5.976 -7.075 10.768 1.00 0.00 C ATOM 630 CG ASP A 64 4.551 -7.565 10.923 1.00 0.00 C ATOM 631 OD1 ASP A 64 3.746 -6.856 11.563 1.00 0.00 O ATOM 632 OD2 ASP A 64 4.238 -8.655 10.402 1.00 0.00 O ATOM 0 H ASP A 64 8.195 -6.284 10.029 1.00 0.00 H new ATOM 0 HA ASP A 64 5.854 -6.750 8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.647 -7.932 10.702 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.263 -6.514 11.657 1.00 0.00 H new ATOM 637 N ILE A 65 4.709 -4.536 8.515 1.00 0.00 N ATOM 638 CA ILE A 65 3.842 -3.364 8.477 1.00 0.00 C ATOM 639 C ILE A 65 2.513 -3.691 7.804 1.00 0.00 C ATOM 640 O ILE A 65 2.443 -3.834 6.583 1.00 0.00 O ATOM 641 CB ILE A 65 4.511 -2.189 7.732 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.801 -1.763 8.443 1.00 0.00 C ATOM 643 CG2 ILE A 65 3.551 -1.013 7.613 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.592 -1.288 9.867 1.00 0.00 C ATOM 0 H ILE A 65 4.833 -4.996 7.613 1.00 0.00 H new ATOM 0 HA ILE A 65 3.662 -3.068 9.511 1.00 0.00 H new ATOM 0 HB ILE A 65 4.769 -2.524 6.727 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.495 -2.604 8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.273 -0.965 7.870 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.041 -0.195 7.085 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.664 -1.322 7.060 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.260 -0.679 8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.551 -1.005 10.301 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.924 -0.426 9.869 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.150 -2.091 10.457 1.00 0.00 H new ATOM 656 N VAL A 66 1.463 -3.811 8.609 1.00 0.00 N ATOM 657 CA VAL A 66 0.134 -4.118 8.095 1.00 0.00 C ATOM 658 C VAL A 66 -0.450 -2.932 7.341 1.00 0.00 C ATOM 659 O VAL A 66 0.140 -1.852 7.310 1.00 0.00 O ATOM 660 CB VAL A 66 -0.831 -4.507 9.228 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.405 -5.815 9.869 1.00 0.00 C ATOM 662 CG2 VAL A 66 -0.905 -3.397 10.267 1.00 0.00 C ATOM 0 H VAL A 66 1.507 -3.700 9.622 1.00 0.00 H new ATOM 0 HA VAL A 66 0.248 -4.962 7.415 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.825 -4.646 8.802 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.101 -6.072 10.668 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.406 -6.605 9.118 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.598 -5.708 10.282 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.592 -3.688 11.062 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.086 -3.226 10.688 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.262 -2.481 9.796 1.00 0.00 H new ATOM 672 N GLY A 67 -1.614 -3.142 6.735 1.00 0.00 N ATOM 673 CA GLY A 67 -2.267 -2.079 5.997 1.00 0.00 C ATOM 674 C GLY A 67 -2.836 -1.018 6.917 1.00 0.00 C ATOM 675 O GLY A 67 -3.136 0.096 6.484 1.00 0.00 O ATOM 0 H GLY A 67 -2.116 -4.030 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.553 -1.621 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.068 -2.499 5.388 1.00 0.00 H new ATOM 679 N ASP A 68 -2.982 -1.366 8.193 1.00 0.00 N ATOM 680 CA ASP A 68 -3.517 -0.438 9.183 1.00 0.00 C ATOM 681 C ASP A 68 -2.460 0.583 9.592 1.00 0.00 C ATOM 682 O ASP A 68 -2.744 1.531 10.324 1.00 0.00 O ATOM 683 CB ASP A 68 -4.006 -1.203 10.415 1.00 0.00 C ATOM 684 CG ASP A 68 -4.641 -0.292 11.448 1.00 0.00 C ATOM 685 OD1 ASP A 68 -5.855 -0.023 11.336 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.923 0.152 12.369 1.00 0.00 O ATOM 0 H ASP A 68 -2.737 -2.284 8.565 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.358 0.092 8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.729 -1.958 10.107 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.167 -1.731 10.868 1.00 0.00 H new ATOM 691 N LEU A 69 -1.242 0.382 9.105 1.00 0.00 N ATOM 692 CA LEU A 69 -0.132 1.274 9.418 1.00 0.00 C ATOM 693 C LEU A 69 0.185 2.194 8.245 1.00 0.00 C ATOM 694 O LEU A 69 0.909 3.177 8.397 1.00 0.00 O ATOM 695 CB LEU A 69 1.106 0.454 9.791 1.00 0.00 C ATOM 696 CG LEU A 69 1.212 0.047 11.267 1.00 0.00 C ATOM 697 CD1 LEU A 69 -0.136 -0.404 11.813 1.00 0.00 C ATOM 698 CD2 LEU A 69 2.246 -1.055 11.435 1.00 0.00 C ATOM 0 H LEU A 69 -0.997 -0.394 8.490 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.424 1.895 10.265 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.118 -0.450 9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.994 1.029 9.527 1.00 0.00 H new ATOM 0 HG LEU A 69 1.529 0.921 11.836 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.028 -0.686 12.860 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.854 0.412 11.729 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.492 -1.261 11.241 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.312 -1.335 12.486 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.951 -1.923 10.846 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.217 -0.698 11.093 1.00 0.00 H new ATOM 710 N LEU A 70 -0.359 1.868 7.077 1.00 0.00 N ATOM 711 CA LEU A 70 -0.131 2.671 5.882 1.00 0.00 C ATOM 712 C LEU A 70 -0.596 4.118 6.083 1.00 0.00 C ATOM 713 O LEU A 70 0.159 5.051 5.809 1.00 0.00 O ATOM 714 CB LEU A 70 -0.836 2.043 4.673 1.00 0.00 C ATOM 715 CG LEU A 70 -0.354 0.640 4.300 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.255 0.033 3.234 1.00 0.00 C ATOM 717 CD2 LEU A 70 1.088 0.680 3.818 1.00 0.00 C ATOM 0 H LEU A 70 -0.959 1.056 6.933 1.00 0.00 H new ATOM 0 HA LEU A 70 0.942 2.690 5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.906 2.001 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.701 2.698 3.812 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.401 0.013 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.897 -0.965 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.275 -0.032 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.239 0.661 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.413 -0.327 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.161 1.323 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.726 1.073 4.610 1.00 0.00 H new ATOM 729 N PRO A 71 -1.842 4.336 6.563 1.00 0.00 N ATOM 730 CA PRO A 71 -2.366 5.682 6.791 1.00 0.00 C ATOM 731 C PRO A 71 -1.932 6.257 8.138 1.00 0.00 C ATOM 732 O PRO A 71 -2.263 7.395 8.471 1.00 0.00 O ATOM 733 CB PRO A 71 -3.875 5.464 6.767 1.00 0.00 C ATOM 734 CG PRO A 71 -4.059 4.095 7.323 1.00 0.00 C ATOM 735 CD PRO A 71 -2.843 3.301 6.910 1.00 0.00 C ATOM 0 HA PRO A 71 -2.005 6.397 6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.394 6.210 7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.271 5.538 5.754 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.152 4.126 8.409 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.971 3.638 6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.491 2.660 7.718 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.059 2.653 6.060 1.00 0.00 H new ATOM 743 N GLU A 72 -1.192 5.465 8.908 1.00 0.00 N ATOM 744 CA GLU A 72 -0.724 5.896 10.221 1.00 0.00 C ATOM 745 C GLU A 72 0.776 6.182 10.211 1.00 0.00 C ATOM 746 O GLU A 72 1.412 6.230 11.265 1.00 0.00 O ATOM 747 CB GLU A 72 -1.041 4.831 11.272 1.00 0.00 C ATOM 748 CG GLU A 72 -2.529 4.570 11.445 1.00 0.00 C ATOM 749 CD GLU A 72 -3.294 5.811 11.862 1.00 0.00 C ATOM 750 OE1 GLU A 72 -3.333 6.105 13.075 1.00 0.00 O ATOM 751 OE2 GLU A 72 -3.855 6.488 10.975 1.00 0.00 O ATOM 0 H GLU A 72 -0.904 4.522 8.646 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.245 6.819 10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.547 3.900 10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.621 5.141 12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.939 4.192 10.508 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.673 3.790 12.193 1.00 0.00 H new ATOM 758 N LEU A 73 1.337 6.378 9.021 1.00 0.00 N ATOM 759 CA LEU A 73 2.763 6.661 8.888 1.00 0.00 C ATOM 760 C LEU A 73 3.007 7.850 7.965 1.00 0.00 C ATOM 761 O LEU A 73 2.155 8.200 7.148 1.00 0.00 O ATOM 762 CB LEU A 73 3.502 5.427 8.363 1.00 0.00 C ATOM 763 CG LEU A 73 3.633 4.278 9.365 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.204 3.041 8.690 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.506 4.693 10.541 1.00 0.00 C ATOM 0 H LEU A 73 0.828 6.346 8.138 1.00 0.00 H new ATOM 0 HA LEU A 73 3.148 6.915 9.876 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.982 5.060 7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.500 5.728 8.045 1.00 0.00 H new ATOM 0 HG LEU A 73 2.639 4.036 9.741 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.289 2.235 9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.543 2.730 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.190 3.270 8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.588 3.864 11.244 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.499 4.963 10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.057 5.550 11.043 1.00 0.00 H new ATOM 777 N CYS A 74 4.180 8.464 8.102 1.00 0.00 N ATOM 778 CA CYS A 74 4.543 9.617 7.285 1.00 0.00 C ATOM 779 C CYS A 74 5.089 9.174 5.932 1.00 0.00 C ATOM 780 O CYS A 74 5.420 8.003 5.738 1.00 0.00 O ATOM 781 CB CYS A 74 5.580 10.475 8.014 1.00 0.00 C ATOM 782 SG CYS A 74 5.963 12.038 7.189 1.00 0.00 S ATOM 0 H CYS A 74 4.895 8.181 8.772 1.00 0.00 H new ATOM 0 HA CYS A 74 3.645 10.211 7.115 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.217 10.688 9.019 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.499 9.900 8.122 1.00 0.00 H new ATOM 0 HG CYS A 74 6.847 12.690 7.884 1.00 0.00 H new ATOM 788 N LEU A 75 5.183 10.117 5.001 1.00 0.00 N ATOM 789 CA LEU A 75 5.687 9.826 3.663 1.00 0.00 C ATOM 790 C LEU A 75 7.148 9.387 3.714 1.00 0.00 C ATOM 791 O LEU A 75 7.612 8.642 2.850 1.00 0.00 O ATOM 792 CB LEU A 75 5.542 11.056 2.762 1.00 0.00 C ATOM 793 CG LEU A 75 5.938 10.844 1.300 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.057 9.785 0.655 1.00 0.00 C ATOM 795 CD2 LEU A 75 5.849 12.155 0.531 1.00 0.00 C ATOM 0 H LEU A 75 4.917 11.091 5.148 1.00 0.00 H new ATOM 0 HA LEU A 75 5.096 9.009 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.505 11.391 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.151 11.861 3.173 1.00 0.00 H new ATOM 0 HG LEU A 75 6.970 10.495 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.354 9.648 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.169 8.843 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.016 10.104 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.134 11.988 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.827 12.531 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.522 12.886 0.979 1.00 0.00 H new ATOM 807 N GLN A 76 7.867 9.852 4.731 1.00 0.00 N ATOM 808 CA GLN A 76 9.275 9.505 4.895 1.00 0.00 C ATOM 809 C GLN A 76 9.442 8.009 5.131 1.00 0.00 C ATOM 810 O GLN A 76 10.388 7.393 4.634 1.00 0.00 O ATOM 811 CB GLN A 76 9.884 10.293 6.055 1.00 0.00 C ATOM 812 CG GLN A 76 9.954 11.791 5.801 1.00 0.00 C ATOM 813 CD GLN A 76 10.806 12.142 4.596 1.00 0.00 C ATOM 814 OE1 GLN A 76 10.550 13.127 3.906 1.00 0.00 O ATOM 815 NE2 GLN A 76 11.830 11.335 4.335 1.00 0.00 N ATOM 0 H GLN A 76 7.498 10.470 5.454 1.00 0.00 H new ATOM 0 HA GLN A 76 9.799 9.767 3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.296 10.112 6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.889 9.918 6.250 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.946 12.178 5.653 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.359 12.286 6.684 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.008 10.528 4.932 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.437 11.523 3.537 1.00 0.00 H new ATOM 824 N ASP A 77 8.519 7.428 5.893 1.00 0.00 N ATOM 825 CA ASP A 77 8.562 6.001 6.189 1.00 0.00 C ATOM 826 C ASP A 77 8.621 5.192 4.899 1.00 0.00 C ATOM 827 O ASP A 77 9.253 4.137 4.842 1.00 0.00 O ATOM 828 CB ASP A 77 7.338 5.589 7.009 1.00 0.00 C ATOM 829 CG ASP A 77 7.313 4.101 7.298 1.00 0.00 C ATOM 830 OD1 ASP A 77 7.952 3.679 8.285 1.00 0.00 O ATOM 831 OD2 ASP A 77 6.657 3.360 6.537 1.00 0.00 O ATOM 0 H ASP A 77 7.734 7.923 6.316 1.00 0.00 H new ATOM 0 HA ASP A 77 9.460 5.798 6.772 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.332 6.140 7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.432 5.867 6.470 1.00 0.00 H new ATOM 836 N CYS A 78 7.956 5.699 3.866 1.00 0.00 N ATOM 837 CA CYS A 78 7.937 5.036 2.569 1.00 0.00 C ATOM 838 C CYS A 78 9.289 5.150 1.887 1.00 0.00 C ATOM 839 O CYS A 78 9.809 4.173 1.351 1.00 0.00 O ATOM 840 CB CYS A 78 6.871 5.649 1.669 1.00 0.00 C ATOM 841 SG CYS A 78 6.940 5.060 -0.039 1.00 0.00 S ATOM 0 H CYS A 78 7.423 6.568 3.903 1.00 0.00 H new ATOM 0 HA CYS A 78 7.707 3.984 2.738 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.887 5.427 2.082 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.982 6.733 1.675 1.00 0.00 H new ATOM 0 HG CYS A 78 5.776 4.597 -0.386 1.00 0.00 H new ATOM 847 N GLN A 79 9.845 6.358 1.899 1.00 0.00 N ATOM 848 CA GLN A 79 11.142 6.603 1.286 1.00 0.00 C ATOM 849 C GLN A 79 12.155 5.575 1.779 1.00 0.00 C ATOM 850 O GLN A 79 13.067 5.184 1.050 1.00 0.00 O ATOM 851 CB GLN A 79 11.626 8.022 1.597 1.00 0.00 C ATOM 852 CG GLN A 79 12.512 8.611 0.512 1.00 0.00 C ATOM 853 CD GLN A 79 13.003 10.005 0.850 1.00 0.00 C ATOM 854 OE1 GLN A 79 14.055 10.172 1.467 1.00 0.00 O ATOM 855 NE2 GLN A 79 12.242 11.016 0.446 1.00 0.00 N ATOM 0 H GLN A 79 9.417 7.179 2.326 1.00 0.00 H new ATOM 0 HA GLN A 79 11.040 6.507 0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.761 8.669 1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 79 12.176 8.012 2.538 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.369 7.957 0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.958 8.643 -0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.377 10.832 -0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.522 11.976 0.645 1.00 0.00 H new ATOM 864 N ASP A 80 11.984 5.142 3.027 1.00 0.00 N ATOM 865 CA ASP A 80 12.861 4.137 3.617 1.00 0.00 C ATOM 866 C ASP A 80 12.621 2.790 2.950 1.00 0.00 C ATOM 867 O ASP A 80 13.558 2.048 2.655 1.00 0.00 O ATOM 868 CB ASP A 80 12.604 4.027 5.122 1.00 0.00 C ATOM 869 CG ASP A 80 13.538 3.041 5.798 1.00 0.00 C ATOM 870 OD1 ASP A 80 14.660 3.445 6.167 1.00 0.00 O ATOM 871 OD2 ASP A 80 13.146 1.867 5.957 1.00 0.00 O ATOM 0 H ASP A 80 11.245 5.473 3.648 1.00 0.00 H new ATOM 0 HA ASP A 80 13.897 4.436 3.460 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.723 5.009 5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.572 3.719 5.290 1.00 0.00 H new ATOM 876 N LEU A 81 11.347 2.487 2.720 1.00 0.00 N ATOM 877 CA LEU A 81 10.943 1.243 2.077 1.00 0.00 C ATOM 878 C LEU A 81 11.480 1.173 0.652 1.00 0.00 C ATOM 879 O LEU A 81 11.506 0.106 0.037 1.00 0.00 O ATOM 880 CB LEU A 81 9.415 1.141 2.066 1.00 0.00 C ATOM 881 CG LEU A 81 8.791 0.307 3.192 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.499 0.556 4.518 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.309 0.627 3.321 1.00 0.00 C ATOM 0 H LEU A 81 10.569 3.095 2.974 1.00 0.00 H new ATOM 0 HA LEU A 81 11.358 0.408 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.003 2.149 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.105 0.716 1.111 1.00 0.00 H new ATOM 0 HG LEU A 81 8.909 -0.747 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.035 -0.049 5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.551 0.284 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.419 1.611 4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.876 0.029 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.184 1.686 3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.804 0.396 2.383 1.00 0.00 H new ATOM 895 N CYS A 82 11.904 2.320 0.134 1.00 0.00 N ATOM 896 CA CYS A 82 12.439 2.401 -1.219 1.00 0.00 C ATOM 897 C CYS A 82 13.954 2.563 -1.195 1.00 0.00 C ATOM 898 O CYS A 82 14.571 2.560 -0.129 1.00 0.00 O ATOM 899 CB CYS A 82 11.800 3.571 -1.967 1.00 0.00 C ATOM 900 SG CYS A 82 9.992 3.572 -1.922 1.00 0.00 S ATOM 0 H CYS A 82 11.887 3.209 0.633 1.00 0.00 H new ATOM 0 HA CYS A 82 12.201 1.472 -1.737 1.00 0.00 H new ATOM 0 HB2 CYS A 82 12.165 4.505 -1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 82 12.128 3.547 -3.006 1.00 0.00 H new ATOM 0 HG CYS A 82 9.588 3.792 -0.706 1.00 0.00 H new ATOM 906 N ASP A 83 14.548 2.704 -2.374 1.00 0.00 N ATOM 907 CA ASP A 83 15.992 2.868 -2.488 1.00 0.00 C ATOM 908 C ASP A 83 16.386 4.334 -2.343 1.00 0.00 C ATOM 909 O ASP A 83 17.552 4.653 -2.107 1.00 0.00 O ATOM 910 CB ASP A 83 16.484 2.323 -3.830 1.00 0.00 C ATOM 911 CG ASP A 83 16.201 0.842 -3.988 1.00 0.00 C ATOM 912 OD1 ASP A 83 17.052 0.027 -3.572 1.00 0.00 O ATOM 913 OD2 ASP A 83 15.128 0.496 -4.527 1.00 0.00 O ATOM 0 H ASP A 83 14.052 2.708 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 83 16.462 2.304 -1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.003 2.871 -4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.556 2.497 -3.919 1.00 0.00 H new ATOM 918 N GLY A 84 15.407 5.223 -2.484 1.00 0.00 N ATOM 919 CA GLY A 84 15.674 6.645 -2.361 1.00 0.00 C ATOM 920 C GLY A 84 14.870 7.477 -3.343 1.00 0.00 C ATOM 921 O GLY A 84 14.931 8.707 -3.316 1.00 0.00 O ATOM 0 H GLY A 84 14.435 4.984 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.445 6.967 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.737 6.827 -2.522 1.00 0.00 H new ATOM 925 N ASP A 85 14.117 6.809 -4.210 1.00 0.00 N ATOM 926 CA ASP A 85 13.304 7.490 -5.200 1.00 0.00 C ATOM 927 C ASP A 85 12.109 8.182 -4.550 1.00 0.00 C ATOM 928 O ASP A 85 11.222 7.527 -4.002 1.00 0.00 O ATOM 929 CB ASP A 85 12.828 6.487 -6.245 1.00 0.00 C ATOM 930 CG ASP A 85 13.849 6.265 -7.343 1.00 0.00 C ATOM 931 OD1 ASP A 85 13.805 6.998 -8.353 1.00 0.00 O ATOM 932 OD2 ASP A 85 14.693 5.356 -7.193 1.00 0.00 O ATOM 0 H ASP A 85 14.056 5.791 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 85 13.912 8.256 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.610 5.536 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 85 11.896 6.841 -6.686 1.00 0.00 H new ATOM 937 N LEU A 86 12.093 9.509 -4.616 1.00 0.00 N ATOM 938 CA LEU A 86 11.007 10.293 -4.039 1.00 0.00 C ATOM 939 C LEU A 86 9.716 10.089 -4.825 1.00 0.00 C ATOM 940 O LEU A 86 8.657 9.854 -4.243 1.00 0.00 O ATOM 941 CB LEU A 86 11.379 11.777 -4.014 1.00 0.00 C ATOM 942 CG LEU A 86 10.269 12.720 -3.543 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.840 12.381 -2.123 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.731 14.167 -3.629 1.00 0.00 C ATOM 0 H LEU A 86 12.821 10.065 -5.064 1.00 0.00 H new ATOM 0 HA LEU A 86 10.846 9.952 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.244 11.907 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.686 12.075 -5.017 1.00 0.00 H new ATOM 0 HG LEU A 86 9.408 12.591 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.050 13.064 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.469 11.357 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.693 12.480 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.931 14.825 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.608 14.307 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.986 14.407 -4.661 1.00 0.00 H new ATOM 956 N ASN A 87 9.814 10.186 -6.149 1.00 0.00 N ATOM 957 CA ASN A 87 8.658 10.006 -7.024 1.00 0.00 C ATOM 958 C ASN A 87 7.924 8.718 -6.675 1.00 0.00 C ATOM 959 O ASN A 87 6.695 8.678 -6.628 1.00 0.00 O ATOM 960 CB ASN A 87 9.107 9.962 -8.482 1.00 0.00 C ATOM 961 CG ASN A 87 7.955 10.143 -9.452 1.00 0.00 C ATOM 962 OD1 ASN A 87 7.341 9.172 -9.892 1.00 0.00 O ATOM 963 ND2 ASN A 87 7.655 11.392 -9.789 1.00 0.00 N ATOM 0 H ASN A 87 10.685 10.389 -6.640 1.00 0.00 H new ATOM 0 HA ASN A 87 7.981 10.848 -6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.848 10.743 -8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.597 9.008 -8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.889 11.575 -10.437 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.191 12.168 -9.400 1.00 0.00 H new ATOM 970 N LYS A 88 8.700 7.670 -6.435 1.00 0.00 N ATOM 971 CA LYS A 88 8.153 6.366 -6.080 1.00 0.00 C ATOM 972 C LYS A 88 7.259 6.467 -4.847 1.00 0.00 C ATOM 973 O LYS A 88 6.147 5.938 -4.829 1.00 0.00 O ATOM 974 CB LYS A 88 9.296 5.379 -5.820 1.00 0.00 C ATOM 975 CG LYS A 88 8.889 4.152 -5.019 1.00 0.00 C ATOM 976 CD LYS A 88 7.911 3.277 -5.786 1.00 0.00 C ATOM 977 CE LYS A 88 7.620 1.984 -5.042 1.00 0.00 C ATOM 978 NZ LYS A 88 6.877 2.225 -3.774 1.00 0.00 N ATOM 0 H LYS A 88 9.719 7.698 -6.480 1.00 0.00 H new ATOM 0 HA LYS A 88 7.546 6.007 -6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.706 5.055 -6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.095 5.897 -5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.776 3.571 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.436 4.466 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.981 3.823 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.320 3.048 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.039 1.320 -5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.558 1.474 -4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.640 1.314 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.470 2.781 -3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.002 2.749 -3.978 1.00 0.00 H new ATOM 992 N ALA A 89 7.753 7.149 -3.821 1.00 0.00 N ATOM 993 CA ALA A 89 7.003 7.311 -2.582 1.00 0.00 C ATOM 994 C ALA A 89 5.737 8.130 -2.800 1.00 0.00 C ATOM 995 O ALA A 89 4.773 8.009 -2.044 1.00 0.00 O ATOM 996 CB ALA A 89 7.874 7.947 -1.513 1.00 0.00 C ATOM 0 H ALA A 89 8.669 7.598 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 89 6.701 6.320 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.298 8.061 -0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.739 7.311 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.211 8.926 -1.853 1.00 0.00 H new ATOM 1002 N ILE A 90 5.742 8.968 -3.833 1.00 0.00 N ATOM 1003 CA ILE A 90 4.582 9.795 -4.142 1.00 0.00 C ATOM 1004 C ILE A 90 3.417 8.926 -4.605 1.00 0.00 C ATOM 1005 O ILE A 90 2.338 8.958 -4.014 1.00 0.00 O ATOM 1006 CB ILE A 90 4.908 10.848 -5.220 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.019 11.780 -4.724 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.661 11.644 -5.581 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.464 12.804 -5.748 1.00 0.00 C ATOM 0 H ILE A 90 6.532 9.091 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 90 4.301 10.319 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 90 5.257 10.337 -6.117 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.672 12.300 -3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.879 11.179 -4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.909 12.383 -6.343 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.897 10.969 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.283 12.151 -4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.252 13.426 -5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.843 12.293 -6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.617 13.432 -6.027 1.00 0.00 H new ATOM 1021 N LYS A 91 3.645 8.147 -5.660 1.00 0.00 N ATOM 1022 CA LYS A 91 2.615 7.258 -6.190 1.00 0.00 C ATOM 1023 C LYS A 91 2.133 6.302 -5.105 1.00 0.00 C ATOM 1024 O LYS A 91 0.979 5.872 -5.104 1.00 0.00 O ATOM 1025 CB LYS A 91 3.157 6.465 -7.381 1.00 0.00 C ATOM 1026 CG LYS A 91 3.427 7.320 -8.610 1.00 0.00 C ATOM 1027 CD LYS A 91 2.134 7.795 -9.257 1.00 0.00 C ATOM 1028 CE LYS A 91 1.383 6.649 -9.917 1.00 0.00 C ATOM 1029 NZ LYS A 91 0.100 7.101 -10.523 1.00 0.00 N ATOM 0 H LYS A 91 4.532 8.114 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 91 1.774 7.865 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.080 5.967 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.443 5.684 -7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.032 8.182 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.007 6.746 -9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.499 8.260 -8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.358 8.560 -10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.010 6.200 -10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.182 5.873 -9.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.381 6.290 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.509 7.506 -9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.293 7.823 -11.247 1.00 0.00 H new ATOM 1043 N PHE A 92 3.034 5.977 -4.185 1.00 0.00 N ATOM 1044 CA PHE A 92 2.723 5.083 -3.076 1.00 0.00 C ATOM 1045 C PHE A 92 1.623 5.678 -2.200 1.00 0.00 C ATOM 1046 O PHE A 92 0.515 5.141 -2.121 1.00 0.00 O ATOM 1047 CB PHE A 92 3.991 4.839 -2.253 1.00 0.00 C ATOM 1048 CG PHE A 92 3.813 3.904 -1.089 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.608 2.549 -1.293 1.00 0.00 C ATOM 1050 CD2 PHE A 92 3.868 4.381 0.210 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.462 1.686 -0.222 1.00 0.00 C ATOM 1052 CE2 PHE A 92 3.726 3.524 1.286 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.523 2.175 1.069 1.00 0.00 C ATOM 0 H PHE A 92 3.994 6.323 -4.186 1.00 0.00 H new ATOM 0 HA PHE A 92 2.362 4.133 -3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.763 4.437 -2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.356 5.796 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.562 2.162 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.024 5.435 0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.301 0.632 -0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.774 3.909 2.294 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.412 1.503 1.907 1.00 0.00 H new ATOM 1063 N LYS A 93 1.935 6.800 -1.556 1.00 0.00 N ATOM 1064 CA LYS A 93 0.982 7.479 -0.685 1.00 0.00 C ATOM 1065 C LYS A 93 -0.293 7.843 -1.441 1.00 0.00 C ATOM 1066 O LYS A 93 -1.357 7.999 -0.843 1.00 0.00 O ATOM 1067 CB LYS A 93 1.617 8.739 -0.093 1.00 0.00 C ATOM 1068 CG LYS A 93 0.760 9.414 0.964 1.00 0.00 C ATOM 1069 CD LYS A 93 1.507 10.553 1.639 1.00 0.00 C ATOM 1070 CE LYS A 93 0.698 11.148 2.779 1.00 0.00 C ATOM 1071 NZ LYS A 93 -0.529 11.836 2.290 1.00 0.00 N ATOM 0 H LYS A 93 2.844 7.259 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 93 0.715 6.797 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.581 8.479 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.813 9.449 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.152 9.796 0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.458 8.681 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.461 10.189 2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.731 11.328 0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.418 10.358 3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.316 11.856 3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.008 12.300 3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.267 12.550 1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.170 11.139 1.860 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.179 7.976 -2.761 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.326 8.321 -3.593 1.00 0.00 C ATOM 1087 C ILE A 94 -2.349 7.191 -3.622 1.00 0.00 C ATOM 1088 O ILE A 94 -3.461 7.339 -3.116 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.905 8.652 -5.040 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.295 10.055 -5.108 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -2.099 8.535 -5.978 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.291 10.400 -6.460 1.00 0.00 C ATOM 0 H ILE A 94 0.693 7.850 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.777 9.207 -3.145 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.149 7.935 -5.359 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.062 10.787 -4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.485 10.139 -4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.787 8.771 -6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.489 7.518 -5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.877 9.232 -5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.704 11.408 -6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.082 9.691 -6.706 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.490 10.349 -7.219 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.970 6.067 -4.230 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.861 4.917 -4.328 1.00 0.00 C ATOM 1106 C LEU A 95 -3.449 4.579 -2.965 1.00 0.00 C ATOM 1107 O LEU A 95 -4.546 4.026 -2.871 1.00 0.00 O ATOM 1108 CB LEU A 95 -2.124 3.701 -4.903 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.682 3.829 -6.367 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -1.055 2.529 -6.848 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.858 4.211 -7.255 1.00 0.00 C ATOM 0 H LEU A 95 -1.055 5.931 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.674 5.178 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.243 3.509 -4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.771 2.829 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.935 4.620 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.747 2.637 -7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.185 2.296 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.783 1.722 -6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.521 4.296 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.630 3.444 -7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.266 5.167 -6.927 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.715 4.918 -1.908 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.177 4.658 -0.554 1.00 0.00 C ATOM 1125 C ILE A 96 -4.266 5.646 -0.148 1.00 0.00 C ATOM 1126 O ILE A 96 -5.236 5.279 0.514 1.00 0.00 O ATOM 1127 CB ILE A 96 -2.023 4.737 0.464 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.943 3.709 0.128 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.542 4.519 1.880 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.367 3.960 0.838 1.00 0.00 C ATOM 0 H ILE A 96 -1.803 5.371 -1.966 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.583 3.647 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.583 5.733 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.305 2.715 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.771 3.713 -0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.713 4.578 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.278 5.287 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.007 3.536 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.088 3.193 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.751 4.941 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.209 3.927 1.916 1.00 0.00 H new ATOM 1142 N ASN A 97 -4.093 6.901 -0.548 1.00 0.00 N ATOM 1143 CA ASN A 97 -5.056 7.948 -0.227 1.00 0.00 C ATOM 1144 C ASN A 97 -6.422 7.634 -0.834 1.00 0.00 C ATOM 1145 O ASN A 97 -7.430 7.597 -0.128 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.550 9.299 -0.739 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.141 10.475 0.017 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -4.494 11.510 0.176 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -6.375 10.326 0.488 1.00 0.00 N ATOM 0 H ASN A 97 -3.293 7.218 -1.096 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.166 7.995 0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.464 9.329 -0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.792 9.395 -1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.820 11.086 1.003 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.877 9.452 0.335 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.446 7.409 -2.145 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.689 7.096 -2.845 1.00 0.00 C ATOM 1158 C LYS A 98 -8.344 5.848 -2.260 1.00 0.00 C ATOM 1159 O LYS A 98 -9.553 5.821 -2.023 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.426 6.892 -4.341 1.00 0.00 C ATOM 1161 CG LYS A 98 -7.205 8.184 -5.113 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.902 8.862 -4.722 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.625 10.079 -5.590 1.00 0.00 C ATOM 1164 NZ LYS A 98 -6.727 11.076 -5.519 1.00 0.00 N ATOM 0 H LYS A 98 -5.620 7.437 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.368 7.939 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.550 6.255 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.271 6.359 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.197 7.971 -6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.037 8.864 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.947 9.163 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.079 8.153 -4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.693 10.546 -5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.488 9.763 -6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.429 11.957 -5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.568 10.698 -6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.956 11.271 -4.523 1.00 0.00 H new ATOM 1178 N MET A 99 -7.537 4.817 -2.028 1.00 0.00 N ATOM 1179 CA MET A 99 -8.032 3.565 -1.468 1.00 0.00 C ATOM 1180 C MET A 99 -8.574 3.776 -0.058 1.00 0.00 C ATOM 1181 O MET A 99 -9.524 3.113 0.360 1.00 0.00 O ATOM 1182 CB MET A 99 -6.915 2.516 -1.454 1.00 0.00 C ATOM 1183 CG MET A 99 -7.357 1.147 -0.957 1.00 0.00 C ATOM 1184 SD MET A 99 -7.388 1.030 0.843 1.00 0.00 S ATOM 1185 CE MET A 99 -7.946 -0.657 1.063 1.00 0.00 C ATOM 0 H MET A 99 -6.535 4.825 -2.220 1.00 0.00 H new ATOM 0 HA MET A 99 -8.848 3.208 -2.097 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.515 2.413 -2.463 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.102 2.875 -0.823 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.351 0.928 -1.347 1.00 0.00 H new ATOM 0 HG3 MET A 99 -6.684 0.387 -1.354 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.814 -0.951 2.104 1.00 0.00 H new ATOM 0 HE2 MET A 99 -9.000 -0.729 0.797 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.364 -1.319 0.422 1.00 0.00 H new ATOM 1195 N ARG A 100 -7.965 4.707 0.669 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.379 5.005 2.036 1.00 0.00 C ATOM 1197 C ARG A 100 -9.763 5.648 2.068 1.00 0.00 C ATOM 1198 O ARG A 100 -10.541 5.415 2.993 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.357 5.929 2.707 1.00 0.00 C ATOM 1200 CG ARG A 100 -7.803 6.456 4.064 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.972 5.333 5.076 1.00 0.00 C ATOM 1202 NE ARG A 100 -8.495 5.821 6.349 1.00 0.00 N ATOM 1203 CZ ARG A 100 -8.488 5.109 7.472 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -7.985 3.881 7.479 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -8.983 5.623 8.588 1.00 0.00 N ATOM 0 H ARG A 100 -7.182 5.269 0.334 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.429 4.064 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.418 5.389 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.157 6.774 2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.070 7.173 4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.746 6.992 3.954 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.647 4.579 4.672 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.011 4.846 5.241 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.888 6.762 6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.603 3.482 6.622 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.981 3.337 8.342 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.370 6.567 8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.977 5.075 9.448 1.00 0.00 H new ATOM 1219 N ASP A 101 -10.068 6.455 1.056 1.00 0.00 N ATOM 1220 CA ASP A 101 -11.359 7.129 0.985 1.00 0.00 C ATOM 1221 C ASP A 101 -12.456 6.167 0.538 1.00 0.00 C ATOM 1222 O ASP A 101 -13.289 5.752 1.344 1.00 0.00 O ATOM 1223 CB ASP A 101 -11.284 8.318 0.026 1.00 0.00 C ATOM 1224 CG ASP A 101 -12.606 9.050 -0.096 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -12.838 9.991 0.693 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -13.409 8.682 -0.978 1.00 0.00 O ATOM 0 H ASP A 101 -9.441 6.657 0.277 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.606 7.490 1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.519 9.012 0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.974 7.968 -0.959 1.00 0.00 H new