USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 812 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 35 THR OG1 : rot 180:sc= 0.119 USER MOD Set 1.2: A 38 SER OG : rot -120:sc= -0.405 USER MOD Single : A 16 ASN : amide:sc= 0.388 K(o=0.39,f=-8!) USER MOD Single : A 17 MET CE :methyl -164:sc= -1.35 (180deg=-1.77!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 21:sc= -0.152 USER MOD Single : A 37 LYS NZ :NH3+ 158:sc= -0.0132 (180deg=-0.383) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0138 X(o=-0.014,f=-0.064) USER MOD Single : A 50 MET CE :methyl -174:sc= -9.1! (180deg=-9.17!) USER MOD Single : A 60 SER OG : rot 180:sc= -1.25 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 180:sc= 0.0484 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0131) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -120:sc= 0 USER MOD Single : A 103 THR OG1 : rot 13:sc= 0.516! USER MOD Single : A 105 THR OG1 : rot -31:sc= -1.01 USER MOD Single : A 107 LYS NZ :NH3+ -160:sc= -1.19 (180deg=-1.84) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.48 USER MOD Single : A 123 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.024) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 13 3.728 2.333 12.597 1.00 0.00 N ATOM 161 CA LEU A 13 3.908 0.964 12.144 1.00 0.00 C ATOM 162 C LEU A 13 5.398 0.696 11.923 1.00 0.00 C ATOM 163 O LEU A 13 5.993 -0.131 12.612 1.00 0.00 O ATOM 164 CB LEU A 13 3.044 0.689 10.912 1.00 0.00 C ATOM 165 CG LEU A 13 1.535 0.622 11.153 1.00 0.00 C ATOM 166 CD1 LEU A 13 0.762 1.143 9.939 1.00 0.00 C ATOM 167 CD2 LEU A 13 1.104 -0.794 11.542 1.00 0.00 C ATOM 0 HA LEU A 13 3.567 0.263 12.906 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.240 1.467 10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.364 -0.255 10.472 1.00 0.00 H new ATOM 0 HG LEU A 13 1.294 1.274 11.993 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.308 1.084 10.137 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.040 2.180 9.748 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.004 0.536 9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.027 -0.814 11.708 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.361 -1.486 10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.617 -1.092 12.456 1.00 0.00 H new ATOM 179 N PHE A 14 5.958 1.411 10.958 1.00 0.00 N ATOM 180 CA PHE A 14 7.367 1.261 10.637 1.00 0.00 C ATOM 181 C PHE A 14 8.244 1.964 11.676 1.00 0.00 C ATOM 182 O PHE A 14 9.041 2.836 11.333 1.00 0.00 O ATOM 183 CB PHE A 14 7.588 1.918 9.273 1.00 0.00 C ATOM 184 CG PHE A 14 6.618 1.443 8.189 1.00 0.00 C ATOM 185 CD1 PHE A 14 6.786 0.221 7.615 1.00 0.00 C ATOM 186 CD2 PHE A 14 5.589 2.241 7.800 1.00 0.00 C ATOM 187 CE1 PHE A 14 5.886 -0.220 6.610 1.00 0.00 C ATOM 188 CE2 PHE A 14 4.689 1.800 6.794 1.00 0.00 C ATOM 189 CZ PHE A 14 4.856 0.578 6.220 1.00 0.00 C ATOM 0 H PHE A 14 5.461 2.096 10.388 1.00 0.00 H new ATOM 0 HA PHE A 14 7.636 0.205 10.628 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.494 2.998 9.382 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.608 1.718 8.946 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.604 -0.413 7.924 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.456 3.211 8.256 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.019 -1.190 6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.872 2.435 6.485 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.171 0.242 5.455 1.00 0.00 H new ATOM 199 N GLU A 15 8.068 1.557 12.924 1.00 0.00 N ATOM 200 CA GLU A 15 8.833 2.136 14.015 1.00 0.00 C ATOM 201 C GLU A 15 10.206 1.468 14.114 1.00 0.00 C ATOM 202 O GLU A 15 11.219 2.145 14.288 1.00 0.00 O ATOM 203 CB GLU A 15 8.073 2.024 15.338 1.00 0.00 C ATOM 204 CG GLU A 15 7.435 3.362 15.718 1.00 0.00 C ATOM 205 CD GLU A 15 7.979 3.869 17.055 1.00 0.00 C ATOM 206 OE1 GLU A 15 7.525 3.338 18.091 1.00 0.00 O ATOM 207 OE2 GLU A 15 8.838 4.776 17.011 1.00 0.00 O ATOM 0 H GLU A 15 7.407 0.833 13.204 1.00 0.00 H new ATOM 0 HA GLU A 15 8.980 3.196 13.807 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.301 1.259 15.254 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.754 1.704 16.127 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.633 4.098 14.938 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.353 3.248 15.781 1.00 0.00 H new ATOM 214 N ASN A 16 10.197 0.148 13.998 1.00 0.00 N ATOM 215 CA ASN A 16 11.429 -0.618 14.072 1.00 0.00 C ATOM 216 C ASN A 16 12.144 -0.558 12.721 1.00 0.00 C ATOM 217 O ASN A 16 13.368 -0.663 12.657 1.00 0.00 O ATOM 218 CB ASN A 16 11.145 -2.087 14.391 1.00 0.00 C ATOM 219 CG ASN A 16 10.072 -2.654 13.458 1.00 0.00 C ATOM 220 OD1 ASN A 16 9.211 -1.948 12.959 1.00 0.00 O ATOM 221 ND2 ASN A 16 10.172 -3.964 13.251 1.00 0.00 N ATOM 0 H ASN A 16 9.356 -0.410 13.853 1.00 0.00 H new ATOM 0 HA ASN A 16 12.046 -0.189 14.862 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.062 -2.668 14.292 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.818 -2.181 15.427 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.503 -4.437 12.643 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.918 -4.496 13.700 1.00 0.00 H new ATOM 228 N MET A 17 11.350 -0.387 11.674 1.00 0.00 N ATOM 229 CA MET A 17 11.892 -0.311 10.328 1.00 0.00 C ATOM 230 C MET A 17 13.087 0.643 10.271 1.00 0.00 C ATOM 231 O MET A 17 13.226 1.520 11.121 1.00 0.00 O ATOM 232 CB MET A 17 10.805 0.173 9.366 1.00 0.00 C ATOM 233 CG MET A 17 10.139 -1.005 8.653 1.00 0.00 C ATOM 234 SD MET A 17 8.996 -1.819 9.756 1.00 0.00 S ATOM 235 CE MET A 17 8.437 -3.145 8.699 1.00 0.00 C ATOM 0 H MET A 17 10.335 -0.299 11.731 1.00 0.00 H new ATOM 0 HA MET A 17 12.231 -1.305 10.036 1.00 0.00 H new ATOM 0 HB2 MET A 17 10.055 0.741 9.916 1.00 0.00 H new ATOM 0 HB3 MET A 17 11.240 0.849 8.630 1.00 0.00 H new ATOM 0 HG2 MET A 17 9.613 -0.653 7.766 1.00 0.00 H new ATOM 0 HG3 MET A 17 10.897 -1.712 8.315 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.526 -3.579 9.111 1.00 0.00 H new ATOM 0 HE2 MET A 17 8.235 -2.755 7.702 1.00 0.00 H new ATOM 0 HE3 MET A 17 9.209 -3.912 8.639 1.00 0.00 H new ATOM 245 N ASP A 18 13.919 0.439 9.260 1.00 0.00 N ATOM 246 CA ASP A 18 15.097 1.270 9.081 1.00 0.00 C ATOM 247 C ASP A 18 14.883 2.200 7.886 1.00 0.00 C ATOM 248 O ASP A 18 14.073 1.910 7.006 1.00 0.00 O ATOM 249 CB ASP A 18 16.335 0.416 8.800 1.00 0.00 C ATOM 250 CG ASP A 18 17.195 0.101 10.026 1.00 0.00 C ATOM 251 OD1 ASP A 18 16.641 0.183 11.144 1.00 0.00 O ATOM 252 OD2 ASP A 18 18.386 -0.215 9.818 1.00 0.00 O ATOM 0 H ASP A 18 13.800 -0.290 8.556 1.00 0.00 H new ATOM 0 HA ASP A 18 15.251 1.839 9.998 1.00 0.00 H new ATOM 0 HB2 ASP A 18 16.015 -0.523 8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.953 0.930 8.064 1.00 0.00 H new ATOM 257 N GLU A 19 15.623 3.299 7.891 1.00 0.00 N ATOM 258 CA GLU A 19 15.524 4.273 6.818 1.00 0.00 C ATOM 259 C GLU A 19 15.514 3.568 5.460 1.00 0.00 C ATOM 260 O GLU A 19 14.586 3.744 4.673 1.00 0.00 O ATOM 261 CB GLU A 19 16.662 5.293 6.898 1.00 0.00 C ATOM 262 CG GLU A 19 16.533 6.161 8.151 1.00 0.00 C ATOM 263 CD GLU A 19 17.844 6.182 8.940 1.00 0.00 C ATOM 264 OE1 GLU A 19 18.802 6.805 8.432 1.00 0.00 O ATOM 265 OE2 GLU A 19 17.859 5.576 10.033 1.00 0.00 O ATOM 0 H GLU A 19 16.294 3.536 8.622 1.00 0.00 H new ATOM 0 HA GLU A 19 14.585 4.815 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.620 4.774 6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.651 5.926 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.259 7.177 7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.731 5.778 8.782 1.00 0.00 H new ATOM 272 N ARG A 20 16.557 2.785 5.228 1.00 0.00 N ATOM 273 CA ARG A 20 16.680 2.053 3.979 1.00 0.00 C ATOM 274 C ARG A 20 15.397 1.268 3.696 1.00 0.00 C ATOM 275 O ARG A 20 15.015 1.092 2.540 1.00 0.00 O ATOM 276 CB ARG A 20 17.863 1.084 4.022 1.00 0.00 C ATOM 277 CG ARG A 20 19.180 1.837 4.227 1.00 0.00 C ATOM 278 CD ARG A 20 19.737 2.340 2.893 1.00 0.00 C ATOM 279 NE ARG A 20 20.400 1.231 2.171 1.00 0.00 N ATOM 280 CZ ARG A 20 20.638 1.229 0.852 1.00 0.00 C ATOM 281 NH1 ARG A 20 20.268 2.277 0.104 1.00 0.00 N ATOM 282 NH2 ARG A 20 21.245 0.180 0.282 1.00 0.00 N ATOM 0 H ARG A 20 17.325 2.641 5.884 1.00 0.00 H new ATOM 0 HA ARG A 20 16.849 2.780 3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.721 0.366 4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.906 0.515 3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.020 2.680 4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.908 1.181 4.705 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.931 2.751 2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 20 20.448 3.148 3.068 1.00 0.00 H new ATOM 0 HE ARG A 20 20.694 0.417 2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.806 3.076 0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.449 2.276 -0.900 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.526 -0.618 0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 20 21.426 0.179 -0.722 1.00 0.00 H new ATOM 296 N LEU A 21 14.768 0.816 4.771 1.00 0.00 N ATOM 297 CA LEU A 21 13.537 0.054 4.653 1.00 0.00 C ATOM 298 C LEU A 21 12.377 1.008 4.366 1.00 0.00 C ATOM 299 O LEU A 21 11.417 0.639 3.692 1.00 0.00 O ATOM 300 CB LEU A 21 13.325 -0.817 5.893 1.00 0.00 C ATOM 301 CG LEU A 21 12.509 -2.094 5.685 1.00 0.00 C ATOM 302 CD1 LEU A 21 12.969 -2.840 4.431 1.00 0.00 C ATOM 303 CD2 LEU A 21 12.554 -2.983 6.929 1.00 0.00 C ATOM 0 H LEU A 21 15.088 0.963 5.728 1.00 0.00 H new ATOM 0 HA LEU A 21 13.596 -0.638 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.302 -1.094 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.831 -0.214 6.656 1.00 0.00 H new ATOM 0 HG LEU A 21 11.468 -1.812 5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.373 -3.744 4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.842 -2.198 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.020 -3.110 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.966 -3.884 6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.587 -3.260 7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.142 -2.440 7.779 1.00 0.00 H new ATOM 315 N LEU A 22 12.504 2.218 4.892 1.00 0.00 N ATOM 316 CA LEU A 22 11.477 3.228 4.700 1.00 0.00 C ATOM 317 C LEU A 22 11.408 3.605 3.219 1.00 0.00 C ATOM 318 O LEU A 22 10.355 3.488 2.594 1.00 0.00 O ATOM 319 CB LEU A 22 11.721 4.421 5.627 1.00 0.00 C ATOM 320 CG LEU A 22 11.033 4.361 6.992 1.00 0.00 C ATOM 321 CD1 LEU A 22 9.514 4.467 6.847 1.00 0.00 C ATOM 322 CD2 LEU A 22 11.449 3.105 7.761 1.00 0.00 C ATOM 0 H LEU A 22 13.302 2.521 5.450 1.00 0.00 H new ATOM 0 HA LEU A 22 10.499 2.834 4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.795 4.518 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.392 5.326 5.116 1.00 0.00 H new ATOM 0 HG LEU A 22 11.361 5.221 7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.050 4.422 7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.259 5.413 6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.148 3.642 6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.946 3.087 8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.170 2.220 7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.528 3.113 7.914 1.00 0.00 H new ATOM 334 N ASP A 23 12.544 4.048 2.700 1.00 0.00 N ATOM 335 CA ASP A 23 12.625 4.442 1.304 1.00 0.00 C ATOM 336 C ASP A 23 12.187 3.271 0.422 1.00 0.00 C ATOM 337 O ASP A 23 11.357 3.438 -0.470 1.00 0.00 O ATOM 338 CB ASP A 23 14.059 4.814 0.919 1.00 0.00 C ATOM 339 CG ASP A 23 14.184 5.738 -0.294 1.00 0.00 C ATOM 340 OD1 ASP A 23 13.764 6.908 -0.161 1.00 0.00 O ATOM 341 OD2 ASP A 23 14.696 5.253 -1.326 1.00 0.00 O ATOM 0 H ASP A 23 13.416 4.143 3.221 1.00 0.00 H new ATOM 0 HA ASP A 23 11.977 5.306 1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.536 5.295 1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.614 3.898 0.718 1.00 0.00 H new ATOM 346 N ALA A 24 12.765 2.112 0.702 1.00 0.00 N ATOM 347 CA ALA A 24 12.445 0.914 -0.055 1.00 0.00 C ATOM 348 C ALA A 24 10.925 0.761 -0.141 1.00 0.00 C ATOM 349 O ALA A 24 10.351 0.822 -1.227 1.00 0.00 O ATOM 350 CB ALA A 24 13.117 -0.296 0.596 1.00 0.00 C ATOM 0 H ALA A 24 13.453 1.977 1.443 1.00 0.00 H new ATOM 0 HA ALA A 24 12.827 0.990 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.877 -1.195 0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.197 -0.151 0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.756 -0.406 1.619 1.00 0.00 H new ATOM 356 N ILE A 25 10.316 0.566 1.020 1.00 0.00 N ATOM 357 CA ILE A 25 8.874 0.403 1.090 1.00 0.00 C ATOM 358 C ILE A 25 8.198 1.579 0.382 1.00 0.00 C ATOM 359 O ILE A 25 7.138 1.418 -0.222 1.00 0.00 O ATOM 360 CB ILE A 25 8.425 0.219 2.541 1.00 0.00 C ATOM 361 CG1 ILE A 25 8.827 -1.160 3.069 1.00 0.00 C ATOM 362 CG2 ILE A 25 6.924 0.474 2.687 1.00 0.00 C ATOM 363 CD1 ILE A 25 8.726 -1.213 4.594 1.00 0.00 C ATOM 0 H ILE A 25 10.795 0.517 1.919 1.00 0.00 H new ATOM 0 HA ILE A 25 8.567 -0.504 0.568 1.00 0.00 H new ATOM 0 HB ILE A 25 8.938 0.960 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.183 -1.923 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.847 -1.389 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.631 0.336 3.728 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.696 1.494 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.373 -0.227 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.017 -2.204 4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.389 -0.465 5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.700 -1.008 4.898 1.00 0.00 H new ATOM 375 N CYS A 26 8.838 2.735 0.479 1.00 0.00 N ATOM 376 CA CYS A 26 8.311 3.937 -0.145 1.00 0.00 C ATOM 377 C CYS A 26 8.324 3.735 -1.662 1.00 0.00 C ATOM 378 O CYS A 26 7.276 3.774 -2.305 1.00 0.00 O ATOM 379 CB CYS A 26 9.097 5.181 0.272 1.00 0.00 C ATOM 380 SG CYS A 26 8.213 6.060 1.611 1.00 0.00 S ATOM 0 H CYS A 26 9.717 2.865 0.980 1.00 0.00 H new ATOM 0 HA CYS A 26 7.287 4.106 0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.093 4.896 0.609 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.228 5.843 -0.584 1.00 0.00 H new ATOM 0 HG CYS A 26 8.890 7.114 1.959 1.00 0.00 H new ATOM 386 N GLU A 27 9.521 3.526 -2.189 1.00 0.00 N ATOM 387 CA GLU A 27 9.684 3.319 -3.618 1.00 0.00 C ATOM 388 C GLU A 27 8.631 2.337 -4.135 1.00 0.00 C ATOM 389 O GLU A 27 8.176 2.451 -5.272 1.00 0.00 O ATOM 390 CB GLU A 27 11.096 2.829 -3.944 1.00 0.00 C ATOM 391 CG GLU A 27 11.918 3.932 -4.614 1.00 0.00 C ATOM 392 CD GLU A 27 12.442 3.474 -5.977 1.00 0.00 C ATOM 393 OE1 GLU A 27 13.085 2.403 -6.006 1.00 0.00 O ATOM 394 OE2 GLU A 27 12.187 4.206 -6.958 1.00 0.00 O ATOM 0 H GLU A 27 10.388 3.495 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 27 9.541 4.275 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.593 2.505 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.041 1.961 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.304 4.824 -4.737 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.755 4.207 -3.972 1.00 0.00 H new ATOM 401 N ARG A 28 8.274 1.394 -3.275 1.00 0.00 N ATOM 402 CA ARG A 28 7.282 0.393 -3.631 1.00 0.00 C ATOM 403 C ARG A 28 5.940 1.060 -3.935 1.00 0.00 C ATOM 404 O ARG A 28 5.242 0.663 -4.867 1.00 0.00 O ATOM 405 CB ARG A 28 7.095 -0.623 -2.502 1.00 0.00 C ATOM 406 CG ARG A 28 7.720 -1.970 -2.868 1.00 0.00 C ATOM 407 CD ARG A 28 9.040 -2.183 -2.124 1.00 0.00 C ATOM 408 NE ARG A 28 9.921 -3.081 -2.904 1.00 0.00 N ATOM 409 CZ ARG A 28 10.679 -2.682 -3.934 1.00 0.00 C ATOM 410 NH1 ARG A 28 10.668 -1.397 -4.315 1.00 0.00 N ATOM 411 NH2 ARG A 28 11.448 -3.566 -4.583 1.00 0.00 N ATOM 0 H ARG A 28 8.654 1.302 -2.333 1.00 0.00 H new ATOM 0 HA ARG A 28 7.641 -0.129 -4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.550 -0.243 -1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.032 -0.754 -2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.027 -2.775 -2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.893 -2.014 -3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.535 -1.225 -1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.848 -2.613 -1.141 1.00 0.00 H new ATOM 0 HE ARG A 28 9.953 -4.066 -2.641 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.083 -0.724 -3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.245 -1.093 -5.099 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.457 -4.544 -4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.025 -3.261 -5.367 1.00 0.00 H new ATOM 425 N LEU A 29 5.618 2.063 -3.131 1.00 0.00 N ATOM 426 CA LEU A 29 4.371 2.790 -3.303 1.00 0.00 C ATOM 427 C LEU A 29 4.114 3.008 -4.795 1.00 0.00 C ATOM 428 O LEU A 29 4.929 3.617 -5.486 1.00 0.00 O ATOM 429 CB LEU A 29 4.388 4.083 -2.486 1.00 0.00 C ATOM 430 CG LEU A 29 4.642 3.926 -0.985 1.00 0.00 C ATOM 431 CD1 LEU A 29 5.134 5.238 -0.372 1.00 0.00 C ATOM 432 CD2 LEU A 29 3.399 3.390 -0.272 1.00 0.00 C ATOM 0 H LEU A 29 6.199 2.389 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 29 3.534 2.208 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.155 4.739 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.431 4.587 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 29 5.434 3.190 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.307 5.099 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.064 5.539 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.382 6.013 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.606 3.288 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.570 4.083 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.134 2.417 -0.685 1.00 0.00 H new ATOM 444 N LYS A 30 2.978 2.499 -5.248 1.00 0.00 N ATOM 445 CA LYS A 30 2.603 2.630 -6.646 1.00 0.00 C ATOM 446 C LYS A 30 1.552 3.733 -6.786 1.00 0.00 C ATOM 447 O LYS A 30 0.755 3.955 -5.876 1.00 0.00 O ATOM 448 CB LYS A 30 2.157 1.280 -7.210 1.00 0.00 C ATOM 449 CG LYS A 30 3.285 0.618 -8.004 1.00 0.00 C ATOM 450 CD LYS A 30 2.871 0.389 -9.459 1.00 0.00 C ATOM 451 CE LYS A 30 2.924 -1.098 -9.816 1.00 0.00 C ATOM 452 NZ LYS A 30 2.185 -1.356 -11.072 1.00 0.00 N ATOM 0 H LYS A 30 2.304 1.995 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 30 3.463 2.931 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.848 0.625 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.288 1.420 -7.853 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.175 1.246 -7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.549 -0.334 -7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.862 0.769 -9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.531 0.950 -10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.961 -1.415 -9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.494 -1.688 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.231 -2.370 -11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.191 -1.072 -10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.613 -0.808 -11.845 1.00 0.00 H new ATOM 466 N PRO A 31 1.586 4.413 -7.963 1.00 0.00 N ATOM 467 CA PRO A 31 0.646 5.487 -8.234 1.00 0.00 C ATOM 468 C PRO A 31 -0.744 4.932 -8.554 1.00 0.00 C ATOM 469 O PRO A 31 -0.947 4.323 -9.603 1.00 0.00 O ATOM 470 CB PRO A 31 1.256 6.262 -9.391 1.00 0.00 C ATOM 471 CG PRO A 31 2.274 5.328 -10.026 1.00 0.00 C ATOM 472 CD PRO A 31 2.516 4.177 -9.064 1.00 0.00 C ATOM 0 HA PRO A 31 0.492 6.138 -7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.492 6.555 -10.111 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.731 7.178 -9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.906 4.955 -10.982 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.205 5.858 -10.228 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.328 3.215 -9.542 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.548 4.163 -8.714 1.00 0.00 H new ATOM 480 N CYS A 32 -1.665 5.163 -7.630 1.00 0.00 N ATOM 481 CA CYS A 32 -3.030 4.694 -7.800 1.00 0.00 C ATOM 482 C CYS A 32 -3.951 5.579 -6.958 1.00 0.00 C ATOM 483 O CYS A 32 -3.487 6.308 -6.082 1.00 0.00 O ATOM 484 CB CYS A 32 -3.169 3.215 -7.435 1.00 0.00 C ATOM 485 SG CYS A 32 -4.755 2.560 -8.072 1.00 0.00 S ATOM 0 H CYS A 32 -1.493 5.669 -6.761 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.315 4.770 -8.849 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.337 2.649 -7.854 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.124 3.093 -6.353 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.185 3.323 -9.033 1.00 0.00 H new ATOM 491 N LEU A 33 -5.239 5.487 -7.253 1.00 0.00 N ATOM 492 CA LEU A 33 -6.229 6.270 -6.534 1.00 0.00 C ATOM 493 C LEU A 33 -7.497 5.434 -6.347 1.00 0.00 C ATOM 494 O LEU A 33 -7.778 4.540 -7.143 1.00 0.00 O ATOM 495 CB LEU A 33 -6.472 7.606 -7.240 1.00 0.00 C ATOM 496 CG LEU A 33 -7.315 8.627 -6.473 1.00 0.00 C ATOM 497 CD1 LEU A 33 -6.478 9.849 -6.087 1.00 0.00 C ATOM 498 CD2 LEU A 33 -8.564 9.015 -7.267 1.00 0.00 C ATOM 0 H LEU A 33 -5.620 4.882 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.864 6.523 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.505 8.057 -7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.959 7.406 -8.195 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.654 8.163 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.101 10.559 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.647 9.536 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.089 10.323 -6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.145 9.742 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.268 9.453 -8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.170 8.127 -7.448 1.00 0.00 H new ATOM 510 N PHE A 34 -8.228 5.755 -5.289 1.00 0.00 N ATOM 511 CA PHE A 34 -9.459 5.045 -4.987 1.00 0.00 C ATOM 512 C PHE A 34 -10.682 5.870 -5.393 1.00 0.00 C ATOM 513 O PHE A 34 -10.887 6.973 -4.889 1.00 0.00 O ATOM 514 CB PHE A 34 -9.488 4.823 -3.474 1.00 0.00 C ATOM 515 CG PHE A 34 -8.229 4.155 -2.919 1.00 0.00 C ATOM 516 CD1 PHE A 34 -7.758 3.012 -3.487 1.00 0.00 C ATOM 517 CD2 PHE A 34 -7.580 4.703 -1.856 1.00 0.00 C ATOM 518 CE1 PHE A 34 -6.589 2.392 -2.971 1.00 0.00 C ATOM 519 CE2 PHE A 34 -6.411 4.083 -1.341 1.00 0.00 C ATOM 520 CZ PHE A 34 -5.940 2.941 -1.909 1.00 0.00 C ATOM 0 H PHE A 34 -7.991 6.497 -4.631 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.490 4.104 -5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.625 5.784 -2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.353 4.209 -3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.273 2.576 -4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.954 5.610 -1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.215 1.485 -3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.896 4.519 -0.498 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.051 2.470 -1.517 1.00 0.00 H new ATOM 530 N THR A 35 -11.463 5.303 -6.301 1.00 0.00 N ATOM 531 CA THR A 35 -12.661 5.972 -6.781 1.00 0.00 C ATOM 532 C THR A 35 -13.886 5.500 -5.997 1.00 0.00 C ATOM 533 O THR A 35 -13.753 4.822 -4.979 1.00 0.00 O ATOM 534 CB THR A 35 -12.770 5.724 -8.287 1.00 0.00 C ATOM 535 OG1 THR A 35 -12.265 4.403 -8.458 1.00 0.00 O ATOM 536 CG2 THR A 35 -11.809 6.598 -9.096 1.00 0.00 C ATOM 0 H THR A 35 -11.290 4.388 -6.717 1.00 0.00 H new ATOM 0 HA THR A 35 -12.605 7.048 -6.618 1.00 0.00 H new ATOM 0 HB THR A 35 -13.793 5.912 -8.613 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.301 4.159 -9.407 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.927 6.382 -10.158 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.031 7.649 -8.912 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.783 6.386 -8.795 1.00 0.00 H new ATOM 544 N GLU A 36 -15.053 5.876 -6.500 1.00 0.00 N ATOM 545 CA GLU A 36 -16.301 5.500 -5.859 1.00 0.00 C ATOM 546 C GLU A 36 -16.549 3.999 -6.022 1.00 0.00 C ATOM 547 O GLU A 36 -16.274 3.431 -7.078 1.00 0.00 O ATOM 548 CB GLU A 36 -17.471 6.313 -6.417 1.00 0.00 C ATOM 549 CG GLU A 36 -18.028 5.670 -7.689 1.00 0.00 C ATOM 550 CD GLU A 36 -18.985 6.622 -8.410 1.00 0.00 C ATOM 551 OE1 GLU A 36 -20.037 6.930 -7.811 1.00 0.00 O ATOM 552 OE2 GLU A 36 -18.641 7.019 -9.545 1.00 0.00 O ATOM 0 H GLU A 36 -15.160 6.438 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.222 5.723 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.259 6.386 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.142 7.329 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.207 5.401 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.549 4.747 -7.436 1.00 0.00 H new ATOM 559 N LYS A 37 -17.068 3.398 -4.961 1.00 0.00 N ATOM 560 CA LYS A 37 -17.356 1.974 -4.973 1.00 0.00 C ATOM 561 C LYS A 37 -16.042 1.192 -4.999 1.00 0.00 C ATOM 562 O LYS A 37 -15.981 0.092 -5.545 1.00 0.00 O ATOM 563 CB LYS A 37 -18.300 1.629 -6.126 1.00 0.00 C ATOM 564 CG LYS A 37 -19.636 2.360 -5.979 1.00 0.00 C ATOM 565 CD LYS A 37 -20.764 1.583 -6.662 1.00 0.00 C ATOM 566 CE LYS A 37 -20.664 1.696 -8.184 1.00 0.00 C ATOM 567 NZ LYS A 37 -19.856 0.585 -8.735 1.00 0.00 N ATOM 0 H LYS A 37 -17.297 3.872 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.881 1.684 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.836 1.900 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.471 0.553 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.868 2.492 -4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.560 3.356 -6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.718 0.534 -6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -21.728 1.966 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.662 1.680 -8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.213 2.651 -8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.093 0.448 -9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.845 0.813 -8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.062 -0.288 -8.209 1.00 0.00 H new ATOM 581 N SER A 38 -15.022 1.791 -4.401 1.00 0.00 N ATOM 582 CA SER A 38 -13.712 1.164 -4.349 1.00 0.00 C ATOM 583 C SER A 38 -13.445 0.627 -2.941 1.00 0.00 C ATOM 584 O SER A 38 -13.329 1.398 -1.990 1.00 0.00 O ATOM 585 CB SER A 38 -12.614 2.147 -4.759 1.00 0.00 C ATOM 586 OG SER A 38 -12.822 2.663 -6.071 1.00 0.00 O ATOM 0 H SER A 38 -15.076 2.704 -3.949 1.00 0.00 H new ATOM 0 HA SER A 38 -13.701 0.334 -5.056 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.581 2.971 -4.046 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.646 1.648 -4.715 1.00 0.00 H new ATOM 0 HG SER A 38 -12.057 2.432 -6.639 1.00 0.00 H new ATOM 592 N TYR A 39 -13.355 -0.692 -2.853 1.00 0.00 N ATOM 593 CA TYR A 39 -13.104 -1.341 -1.578 1.00 0.00 C ATOM 594 C TYR A 39 -11.608 -1.586 -1.373 1.00 0.00 C ATOM 595 O TYR A 39 -10.973 -2.275 -2.170 1.00 0.00 O ATOM 596 CB TYR A 39 -13.825 -2.689 -1.641 1.00 0.00 C ATOM 597 CG TYR A 39 -15.289 -2.633 -1.199 1.00 0.00 C ATOM 598 CD1 TYR A 39 -15.601 -2.420 0.129 1.00 0.00 C ATOM 599 CD2 TYR A 39 -16.297 -2.795 -2.127 1.00 0.00 C ATOM 600 CE1 TYR A 39 -16.978 -2.368 0.545 1.00 0.00 C ATOM 601 CE2 TYR A 39 -17.674 -2.743 -1.711 1.00 0.00 C ATOM 602 CZ TYR A 39 -17.947 -2.531 -0.395 1.00 0.00 C ATOM 603 OH TYR A 39 -19.248 -2.482 -0.002 1.00 0.00 O ATOM 0 H TYR A 39 -13.451 -1.329 -3.644 1.00 0.00 H new ATOM 0 HA TYR A 39 -13.454 -0.718 -0.755 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -13.779 -3.067 -2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -13.293 -3.403 -1.012 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -14.812 -2.292 0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -16.053 -2.961 -3.166 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -17.236 -2.203 1.581 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -18.472 -2.869 -2.427 1.00 0.00 H new ATOM 0 HH TYR A 39 -19.830 -2.613 -0.780 1.00 0.00 H new ATOM 613 N LEU A 40 -11.088 -1.008 -0.300 1.00 0.00 N ATOM 614 CA LEU A 40 -9.678 -1.155 0.020 1.00 0.00 C ATOM 615 C LEU A 40 -9.445 -2.524 0.662 1.00 0.00 C ATOM 616 O LEU A 40 -8.570 -3.274 0.233 1.00 0.00 O ATOM 617 CB LEU A 40 -9.199 0.016 0.880 1.00 0.00 C ATOM 618 CG LEU A 40 -9.031 1.354 0.157 1.00 0.00 C ATOM 619 CD1 LEU A 40 -10.332 1.773 -0.530 1.00 0.00 C ATOM 620 CD2 LEU A 40 -8.513 2.432 1.111 1.00 0.00 C ATOM 0 H LEU A 40 -11.618 -0.437 0.359 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.076 -1.121 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.906 0.154 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.243 -0.255 1.328 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.281 1.228 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.185 2.727 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.619 1.015 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.121 1.875 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.403 3.373 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.221 2.564 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.546 2.128 1.513 1.00 0.00 H new ATOM 632 N VAL A 41 -10.244 -2.809 1.680 1.00 0.00 N ATOM 633 CA VAL A 41 -10.136 -4.075 2.385 1.00 0.00 C ATOM 634 C VAL A 41 -11.535 -4.565 2.761 1.00 0.00 C ATOM 635 O VAL A 41 -12.437 -3.762 2.994 1.00 0.00 O ATOM 636 CB VAL A 41 -9.210 -3.923 3.595 1.00 0.00 C ATOM 637 CG1 VAL A 41 -7.866 -3.318 3.184 1.00 0.00 C ATOM 638 CG2 VAL A 41 -9.875 -3.088 4.692 1.00 0.00 C ATOM 0 H VAL A 41 -10.969 -2.185 2.033 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.688 -4.833 1.743 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.020 -4.917 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.227 -3.221 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.383 -3.967 2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.029 -2.335 2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.197 -2.995 5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.108 -2.097 4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.794 -3.577 5.015 1.00 0.00 H new ATOM 648 N ARG A 42 -11.673 -5.882 2.809 1.00 0.00 N ATOM 649 CA ARG A 42 -12.947 -6.490 3.153 1.00 0.00 C ATOM 650 C ARG A 42 -12.756 -7.543 4.245 1.00 0.00 C ATOM 651 O ARG A 42 -11.647 -8.033 4.452 1.00 0.00 O ATOM 652 CB ARG A 42 -13.593 -7.145 1.930 1.00 0.00 C ATOM 653 CG ARG A 42 -14.726 -6.277 1.377 1.00 0.00 C ATOM 654 CD ARG A 42 -15.165 -6.765 -0.005 1.00 0.00 C ATOM 655 NE ARG A 42 -14.174 -6.357 -1.025 1.00 0.00 N ATOM 656 CZ ARG A 42 -14.362 -6.477 -2.346 1.00 0.00 C ATOM 657 NH1 ARG A 42 -15.506 -6.993 -2.815 1.00 0.00 N ATOM 658 NH2 ARG A 42 -13.407 -6.080 -3.198 1.00 0.00 N ATOM 0 H ARG A 42 -10.923 -6.545 2.615 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.603 -5.700 3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.840 -7.302 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.981 -8.127 2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.574 -6.300 2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.397 -5.240 1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.269 -7.850 -0.000 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.143 -6.352 -0.251 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.292 -5.959 -0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.233 -7.294 -2.166 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.650 -7.085 -3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.536 -5.686 -2.841 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.551 -6.172 -4.204 1.00 0.00 H new ATOM 672 N GLU A 43 -13.853 -7.860 4.916 1.00 0.00 N ATOM 673 CA GLU A 43 -13.820 -8.847 5.982 1.00 0.00 C ATOM 674 C GLU A 43 -14.110 -10.242 5.424 1.00 0.00 C ATOM 675 O GLU A 43 -15.253 -10.561 5.104 1.00 0.00 O ATOM 676 CB GLU A 43 -14.807 -8.486 7.094 1.00 0.00 C ATOM 677 CG GLU A 43 -14.181 -8.698 8.474 1.00 0.00 C ATOM 678 CD GLU A 43 -15.105 -9.520 9.375 1.00 0.00 C ATOM 679 OE1 GLU A 43 -15.431 -10.656 8.969 1.00 0.00 O ATOM 680 OE2 GLU A 43 -15.465 -8.993 10.450 1.00 0.00 O ATOM 0 H GLU A 43 -14.771 -7.451 4.742 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.820 -8.851 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.116 -7.446 6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.705 -9.097 7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.223 -9.207 8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.979 -7.733 8.938 1.00 0.00 H new ATOM 687 N GLY A 44 -13.053 -11.035 5.325 1.00 0.00 N ATOM 688 CA GLY A 44 -13.179 -12.388 4.811 1.00 0.00 C ATOM 689 C GLY A 44 -12.276 -12.599 3.594 1.00 0.00 C ATOM 690 O GLY A 44 -11.809 -13.711 3.348 1.00 0.00 O ATOM 0 H GLY A 44 -12.106 -10.766 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.917 -13.103 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.216 -12.581 4.537 1.00 0.00 H new ATOM 694 N ASP A 45 -12.056 -11.515 2.865 1.00 0.00 N ATOM 695 CA ASP A 45 -11.216 -11.567 1.681 1.00 0.00 C ATOM 696 C ASP A 45 -9.751 -11.407 2.091 1.00 0.00 C ATOM 697 O ASP A 45 -9.457 -10.854 3.150 1.00 0.00 O ATOM 698 CB ASP A 45 -11.562 -10.436 0.710 1.00 0.00 C ATOM 699 CG ASP A 45 -11.093 -9.046 1.144 1.00 0.00 C ATOM 700 OD1 ASP A 45 -10.818 -8.892 2.354 1.00 0.00 O ATOM 701 OD2 ASP A 45 -11.020 -8.169 0.257 1.00 0.00 O ATOM 0 H ASP A 45 -12.445 -10.595 3.072 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.383 -12.526 1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.123 -10.664 -0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.643 -10.412 0.574 1.00 0.00 H new ATOM 706 N PRO A 46 -8.848 -11.914 1.209 1.00 0.00 N ATOM 707 CA PRO A 46 -7.421 -11.832 1.470 1.00 0.00 C ATOM 708 C PRO A 46 -6.902 -10.411 1.238 1.00 0.00 C ATOM 709 O PRO A 46 -7.638 -9.547 0.765 1.00 0.00 O ATOM 710 CB PRO A 46 -6.792 -12.854 0.536 1.00 0.00 C ATOM 711 CG PRO A 46 -7.833 -13.136 -0.535 1.00 0.00 C ATOM 712 CD PRO A 46 -9.161 -12.575 -0.054 1.00 0.00 C ATOM 0 HA PRO A 46 -7.169 -12.051 2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.873 -12.467 0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.529 -13.765 1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.544 -12.675 -1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.914 -14.208 -0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.579 -11.873 -0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.898 -13.366 0.085 1.00 0.00 H new ATOM 720 N VAL A 47 -5.638 -10.214 1.583 1.00 0.00 N ATOM 721 CA VAL A 47 -5.012 -8.913 1.419 1.00 0.00 C ATOM 722 C VAL A 47 -3.845 -9.034 0.436 1.00 0.00 C ATOM 723 O VAL A 47 -2.776 -9.526 0.793 1.00 0.00 O ATOM 724 CB VAL A 47 -4.591 -8.360 2.781 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.052 -6.934 2.650 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.749 -8.419 3.779 1.00 0.00 C ATOM 0 H VAL A 47 -5.031 -10.933 1.975 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.719 -8.199 0.998 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.787 -8.989 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.760 -6.564 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.185 -6.932 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.827 -6.289 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.422 -8.020 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.583 -7.826 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.068 -9.454 3.906 1.00 0.00 H new ATOM 736 N ASN A 48 -4.091 -8.576 -0.783 1.00 0.00 N ATOM 737 CA ASN A 48 -3.074 -8.627 -1.820 1.00 0.00 C ATOM 738 C ASN A 48 -2.068 -7.496 -1.597 1.00 0.00 C ATOM 739 O ASN A 48 -0.859 -7.718 -1.645 1.00 0.00 O ATOM 740 CB ASN A 48 -3.692 -8.443 -3.207 1.00 0.00 C ATOM 741 CG ASN A 48 -2.924 -9.244 -4.261 1.00 0.00 C ATOM 742 OD1 ASN A 48 -1.729 -9.088 -4.447 1.00 0.00 O ATOM 743 ND2 ASN A 48 -3.676 -10.108 -4.937 1.00 0.00 N ATOM 0 H ASN A 48 -4.979 -8.168 -1.076 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.588 -9.601 -1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.734 -8.763 -3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.687 -7.386 -3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.257 -10.690 -5.662 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.672 -10.188 -4.730 1.00 0.00 H new ATOM 750 N GLU A 49 -2.604 -6.308 -1.358 1.00 0.00 N ATOM 751 CA GLU A 49 -1.768 -5.142 -1.128 1.00 0.00 C ATOM 752 C GLU A 49 -2.402 -4.235 -0.071 1.00 0.00 C ATOM 753 O GLU A 49 -3.618 -4.242 0.109 1.00 0.00 O ATOM 754 CB GLU A 49 -1.522 -4.378 -2.430 1.00 0.00 C ATOM 755 CG GLU A 49 -2.821 -3.768 -2.962 1.00 0.00 C ATOM 756 CD GLU A 49 -3.358 -4.571 -4.149 1.00 0.00 C ATOM 757 OE1 GLU A 49 -2.797 -4.397 -5.252 1.00 0.00 O ATOM 758 OE2 GLU A 49 -4.318 -5.339 -3.926 1.00 0.00 O ATOM 0 H GLU A 49 -3.607 -6.128 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.801 -5.480 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.789 -3.590 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.100 -5.051 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.567 -3.743 -2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.645 -2.736 -3.266 1.00 0.00 H new ATOM 765 N MET A 50 -1.548 -3.477 0.600 1.00 0.00 N ATOM 766 CA MET A 50 -2.009 -2.566 1.635 1.00 0.00 C ATOM 767 C MET A 50 -2.178 -1.150 1.082 1.00 0.00 C ATOM 768 O MET A 50 -1.462 -0.747 0.166 1.00 0.00 O ATOM 769 CB MET A 50 -1.001 -2.548 2.786 1.00 0.00 C ATOM 770 CG MET A 50 -1.617 -1.933 4.044 1.00 0.00 C ATOM 771 SD MET A 50 -1.181 -2.906 5.475 1.00 0.00 S ATOM 772 CE MET A 50 -0.510 -1.628 6.526 1.00 0.00 C ATOM 0 H MET A 50 -0.539 -3.474 0.448 1.00 0.00 H new ATOM 0 HA MET A 50 -2.977 -2.914 1.994 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.668 -3.564 2.999 1.00 0.00 H new ATOM 0 HB3 MET A 50 -0.119 -1.979 2.493 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.264 -0.909 4.169 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.701 -1.886 3.942 1.00 0.00 H new ATOM 0 HE1 MET A 50 -0.090 -2.079 7.425 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.272 -1.090 5.990 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.302 -0.933 6.805 1.00 0.00 H new ATOM 782 N LEU A 51 -3.130 -0.432 1.662 1.00 0.00 N ATOM 783 CA LEU A 51 -3.402 0.931 1.239 1.00 0.00 C ATOM 784 C LEU A 51 -3.165 1.882 2.414 1.00 0.00 C ATOM 785 O LEU A 51 -3.834 1.783 3.442 1.00 0.00 O ATOM 786 CB LEU A 51 -4.805 1.035 0.637 1.00 0.00 C ATOM 787 CG LEU A 51 -5.041 0.247 -0.653 1.00 0.00 C ATOM 788 CD1 LEU A 51 -3.827 0.337 -1.580 1.00 0.00 C ATOM 789 CD2 LEU A 51 -5.424 -1.202 -0.349 1.00 0.00 C ATOM 0 H LEU A 51 -3.722 -0.769 2.421 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.717 1.228 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.525 0.697 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.018 2.086 0.442 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.882 0.698 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.021 -0.232 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.642 1.380 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.952 -0.073 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.586 -1.739 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.620 -1.681 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.339 -1.220 0.243 1.00 0.00 H new ATOM 801 N PHE A 52 -2.211 2.781 2.223 1.00 0.00 N ATOM 802 CA PHE A 52 -1.877 3.748 3.254 1.00 0.00 C ATOM 803 C PHE A 52 -2.621 5.067 3.030 1.00 0.00 C ATOM 804 O PHE A 52 -2.302 5.814 2.107 1.00 0.00 O ATOM 805 CB PHE A 52 -0.372 4.003 3.158 1.00 0.00 C ATOM 806 CG PHE A 52 0.488 2.772 3.452 1.00 0.00 C ATOM 807 CD1 PHE A 52 0.464 2.205 4.688 1.00 0.00 C ATOM 808 CD2 PHE A 52 1.275 2.244 2.476 1.00 0.00 C ATOM 809 CE1 PHE A 52 1.262 1.062 4.960 1.00 0.00 C ATOM 810 CE2 PHE A 52 2.073 1.102 2.749 1.00 0.00 C ATOM 811 CZ PHE A 52 2.049 0.535 3.985 1.00 0.00 C ATOM 0 H PHE A 52 -1.659 2.860 1.369 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.162 3.362 4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.139 4.366 2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.103 4.796 3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.162 2.624 5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.293 2.693 1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.244 0.612 5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.699 0.683 1.975 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.655 -0.334 4.192 1.00 0.00 H new ATOM 821 N ILE A 53 -3.598 5.311 3.891 1.00 0.00 N ATOM 822 CA ILE A 53 -4.390 6.526 3.798 1.00 0.00 C ATOM 823 C ILE A 53 -3.485 7.738 4.027 1.00 0.00 C ATOM 824 O ILE A 53 -2.857 7.860 5.077 1.00 0.00 O ATOM 825 CB ILE A 53 -5.584 6.462 4.753 1.00 0.00 C ATOM 826 CG1 ILE A 53 -6.649 5.493 4.235 1.00 0.00 C ATOM 827 CG2 ILE A 53 -6.155 7.857 5.012 1.00 0.00 C ATOM 828 CD1 ILE A 53 -7.052 5.838 2.800 1.00 0.00 C ATOM 0 H ILE A 53 -3.859 4.689 4.656 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.815 6.628 2.799 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.235 6.075 5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.267 4.473 4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.526 5.531 4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.002 7.783 5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.386 8.488 5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.485 8.296 4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.810 5.134 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.456 6.850 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.178 5.776 2.152 1.00 0.00 H new ATOM 840 N ILE A 54 -3.446 8.605 3.025 1.00 0.00 N ATOM 841 CA ILE A 54 -2.627 9.803 3.103 1.00 0.00 C ATOM 842 C ILE A 54 -3.514 10.998 3.458 1.00 0.00 C ATOM 843 O ILE A 54 -3.188 11.772 4.357 1.00 0.00 O ATOM 844 CB ILE A 54 -1.829 9.992 1.812 1.00 0.00 C ATOM 845 CG1 ILE A 54 -1.159 8.684 1.385 1.00 0.00 C ATOM 846 CG2 ILE A 54 -0.820 11.133 1.953 1.00 0.00 C ATOM 847 CD1 ILE A 54 0.052 8.375 2.268 1.00 0.00 C ATOM 0 H ILE A 54 -3.968 8.501 2.155 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.886 9.707 3.897 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.523 10.272 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.877 7.866 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.846 8.755 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.266 11.246 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.348 12.060 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.126 10.907 2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.510 7.441 1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.779 9.183 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.269 8.281 3.305 1.00 0.00 H new ATOM 859 N ARG A 55 -4.618 11.112 2.734 1.00 0.00 N ATOM 860 CA ARG A 55 -5.554 12.199 2.962 1.00 0.00 C ATOM 861 C ARG A 55 -6.838 11.970 2.163 1.00 0.00 C ATOM 862 O ARG A 55 -6.787 11.666 0.973 1.00 0.00 O ATOM 863 CB ARG A 55 -4.944 13.544 2.560 1.00 0.00 C ATOM 864 CG ARG A 55 -4.798 14.465 3.772 1.00 0.00 C ATOM 865 CD ARG A 55 -3.801 15.590 3.490 1.00 0.00 C ATOM 866 NE ARG A 55 -4.471 16.904 3.614 1.00 0.00 N ATOM 867 CZ ARG A 55 -3.831 18.080 3.576 1.00 0.00 C ATOM 868 NH1 ARG A 55 -2.501 18.115 3.417 1.00 0.00 N ATOM 869 NH2 ARG A 55 -4.521 19.223 3.698 1.00 0.00 N ATOM 0 H ARG A 55 -4.885 10.469 1.989 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.784 12.221 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.968 13.382 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.573 14.022 1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.768 14.890 4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.465 13.887 4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.966 15.531 4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.387 15.477 2.488 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.484 16.915 3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.975 17.246 3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.014 19.011 3.388 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.533 19.197 3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.034 20.119 3.669 1.00 0.00 H new ATOM 883 N GLY A 56 -7.960 12.126 2.850 1.00 0.00 N ATOM 884 CA GLY A 56 -9.256 11.940 2.220 1.00 0.00 C ATOM 885 C GLY A 56 -10.309 11.515 3.246 1.00 0.00 C ATOM 886 O GLY A 56 -10.239 11.904 4.410 1.00 0.00 O ATOM 0 H GLY A 56 -7.998 12.379 3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.566 12.867 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.179 11.184 1.438 1.00 0.00 H new ATOM 890 N ARG A 57 -11.260 10.722 2.775 1.00 0.00 N ATOM 891 CA ARG A 57 -12.326 10.240 3.637 1.00 0.00 C ATOM 892 C ARG A 57 -12.769 8.841 3.203 1.00 0.00 C ATOM 893 O ARG A 57 -12.769 8.527 2.013 1.00 0.00 O ATOM 894 CB ARG A 57 -13.531 11.182 3.602 1.00 0.00 C ATOM 895 CG ARG A 57 -14.592 10.754 4.619 1.00 0.00 C ATOM 896 CD ARG A 57 -14.786 11.825 5.693 1.00 0.00 C ATOM 897 NE ARG A 57 -16.175 12.333 5.657 1.00 0.00 N ATOM 898 CZ ARG A 57 -16.659 13.129 4.694 1.00 0.00 C ATOM 899 NH1 ARG A 57 -15.870 13.512 3.682 1.00 0.00 N ATOM 900 NH2 ARG A 57 -17.934 13.541 4.743 1.00 0.00 N ATOM 0 H ARG A 57 -11.315 10.401 1.808 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.937 10.202 4.655 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.207 12.201 3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.963 11.188 2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -15.537 10.571 4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.295 9.815 5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.568 11.409 6.677 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.086 12.645 5.531 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.804 12.060 6.413 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.900 13.198 3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.239 14.118 2.949 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -18.535 13.248 5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -18.303 14.147 4.010 1.00 0.00 H new ATOM 914 N LEU A 58 -13.135 8.037 4.190 1.00 0.00 N ATOM 915 CA LEU A 58 -13.578 6.679 3.925 1.00 0.00 C ATOM 916 C LEU A 58 -14.628 6.278 4.963 1.00 0.00 C ATOM 917 O LEU A 58 -14.844 6.992 5.941 1.00 0.00 O ATOM 918 CB LEU A 58 -12.382 5.728 3.862 1.00 0.00 C ATOM 919 CG LEU A 58 -11.537 5.797 2.588 1.00 0.00 C ATOM 920 CD1 LEU A 58 -10.315 6.695 2.789 1.00 0.00 C ATOM 921 CD2 LEU A 58 -11.146 4.396 2.113 1.00 0.00 C ATOM 0 H LEU A 58 -13.134 8.300 5.175 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.056 6.618 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.735 5.933 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.748 4.708 3.977 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.142 6.247 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.732 6.727 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.642 7.702 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.699 6.297 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.546 4.473 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.567 3.897 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.046 3.818 1.904 1.00 0.00 H new ATOM 933 N GLU A 59 -15.254 5.137 4.715 1.00 0.00 N ATOM 934 CA GLU A 59 -16.276 4.633 5.615 1.00 0.00 C ATOM 935 C GLU A 59 -15.895 3.241 6.125 1.00 0.00 C ATOM 936 O GLU A 59 -15.748 2.307 5.338 1.00 0.00 O ATOM 937 CB GLU A 59 -17.646 4.611 4.934 1.00 0.00 C ATOM 938 CG GLU A 59 -17.856 3.304 4.166 1.00 0.00 C ATOM 939 CD GLU A 59 -19.152 3.346 3.355 1.00 0.00 C ATOM 940 OE1 GLU A 59 -20.213 3.532 3.990 1.00 0.00 O ATOM 941 OE2 GLU A 59 -19.053 3.193 2.119 1.00 0.00 O ATOM 0 H GLU A 59 -15.073 4.547 3.903 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.343 5.306 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -18.430 4.727 5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.730 5.456 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -17.011 3.130 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.887 2.468 4.865 1.00 0.00 H new ATOM 948 N SER A 60 -15.747 3.147 7.438 1.00 0.00 N ATOM 949 CA SER A 60 -15.386 1.885 8.062 1.00 0.00 C ATOM 950 C SER A 60 -16.637 1.197 8.612 1.00 0.00 C ATOM 951 O SER A 60 -17.488 1.843 9.222 1.00 0.00 O ATOM 952 CB SER A 60 -14.361 2.096 9.178 1.00 0.00 C ATOM 953 OG SER A 60 -14.908 2.824 10.274 1.00 0.00 O ATOM 0 H SER A 60 -15.870 3.924 8.087 1.00 0.00 H new ATOM 0 HA SER A 60 -14.931 1.246 7.305 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.002 1.128 9.528 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.498 2.631 8.782 1.00 0.00 H new ATOM 0 HG SER A 60 -14.223 2.937 10.966 1.00 0.00 H new ATOM 959 N VAL A 61 -16.709 -0.105 8.377 1.00 0.00 N ATOM 960 CA VAL A 61 -17.841 -0.888 8.842 1.00 0.00 C ATOM 961 C VAL A 61 -17.353 -2.267 9.291 1.00 0.00 C ATOM 962 O VAL A 61 -16.323 -2.748 8.821 1.00 0.00 O ATOM 963 CB VAL A 61 -18.911 -0.959 7.751 1.00 0.00 C ATOM 964 CG1 VAL A 61 -19.765 -2.220 7.901 1.00 0.00 C ATOM 965 CG2 VAL A 61 -19.784 0.298 7.756 1.00 0.00 C ATOM 0 H VAL A 61 -16.002 -0.637 7.871 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.306 -0.411 9.705 1.00 0.00 H new ATOM 0 HB VAL A 61 -18.404 -1.011 6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -20.518 -2.246 7.113 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.129 -3.102 7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.258 -2.212 8.873 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -20.536 0.222 6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.277 0.395 8.723 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -19.161 1.174 7.577 1.00 0.00 H new ATOM 1126 N ARG A 73 -21.145 1.014 12.216 1.00 0.00 N ATOM 1127 CA ARG A 73 -20.552 1.975 11.302 1.00 0.00 C ATOM 1128 C ARG A 73 -19.612 2.916 12.056 1.00 0.00 C ATOM 1129 O ARG A 73 -19.927 3.361 13.159 1.00 0.00 O ATOM 1130 CB ARG A 73 -21.630 2.800 10.595 1.00 0.00 C ATOM 1131 CG ARG A 73 -21.495 2.691 9.075 1.00 0.00 C ATOM 1132 CD ARG A 73 -21.941 3.985 8.391 1.00 0.00 C ATOM 1133 NE ARG A 73 -23.351 3.868 7.956 1.00 0.00 N ATOM 1134 CZ ARG A 73 -24.404 4.127 8.743 1.00 0.00 C ATOM 1135 NH1 ARG A 73 -24.213 4.519 10.010 1.00 0.00 N ATOM 1136 NH2 ARG A 73 -25.648 3.993 8.263 1.00 0.00 N ATOM 0 HA ARG A 73 -19.989 1.417 10.554 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -22.617 2.454 10.902 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -21.550 3.844 10.897 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.459 2.475 8.813 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -22.096 1.857 8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -21.832 4.825 9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.303 4.191 7.532 1.00 0.00 H new ATOM 0 HE ARG A 73 -23.532 3.572 6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -23.266 4.620 10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -25.015 4.716 10.609 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -25.793 3.694 7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -26.450 4.190 8.862 1.00 0.00 H new ATOM 1150 N SER A 74 -18.476 3.191 11.433 1.00 0.00 N ATOM 1151 CA SER A 74 -17.487 4.072 12.032 1.00 0.00 C ATOM 1152 C SER A 74 -16.791 4.894 10.945 1.00 0.00 C ATOM 1153 O SER A 74 -17.007 4.666 9.756 1.00 0.00 O ATOM 1154 CB SER A 74 -16.458 3.277 12.837 1.00 0.00 C ATOM 1155 OG SER A 74 -17.017 2.732 14.029 1.00 0.00 O ATOM 0 H SER A 74 -18.218 2.819 10.519 1.00 0.00 H new ATOM 0 HA SER A 74 -18.000 4.748 12.716 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.061 2.470 12.221 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.619 3.925 13.093 1.00 0.00 H new ATOM 0 HG SER A 74 -16.329 2.230 14.514 1.00 0.00 H new ATOM 1161 N LEU A 75 -15.970 5.832 11.393 1.00 0.00 N ATOM 1162 CA LEU A 75 -15.241 6.689 10.473 1.00 0.00 C ATOM 1163 C LEU A 75 -13.766 6.723 10.876 1.00 0.00 C ATOM 1164 O LEU A 75 -13.426 6.456 12.027 1.00 0.00 O ATOM 1165 CB LEU A 75 -15.891 8.073 10.401 1.00 0.00 C ATOM 1166 CG LEU A 75 -15.642 8.864 9.115 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -16.619 8.444 8.015 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -15.691 10.370 9.381 1.00 0.00 C ATOM 0 H LEU A 75 -15.793 6.018 12.380 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.287 6.288 9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.967 7.954 10.529 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.533 8.665 11.243 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.638 8.632 8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.420 9.021 7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.493 7.382 7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.641 8.629 8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.511 10.910 8.451 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.672 10.639 9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.925 10.636 10.109 1.00 0.00 H new ATOM 1180 N LEU A 76 -12.928 7.054 9.904 1.00 0.00 N ATOM 1181 CA LEU A 76 -11.496 7.127 10.143 1.00 0.00 C ATOM 1182 C LEU A 76 -10.987 8.513 9.744 1.00 0.00 C ATOM 1183 O LEU A 76 -11.720 9.300 9.147 1.00 0.00 O ATOM 1184 CB LEU A 76 -10.776 5.979 9.432 1.00 0.00 C ATOM 1185 CG LEU A 76 -11.471 4.617 9.483 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -10.982 3.709 8.353 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -11.300 3.965 10.856 1.00 0.00 C ATOM 0 H LEU A 76 -13.213 7.275 8.950 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.279 7.001 11.204 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.638 6.255 8.387 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.782 5.874 9.868 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.539 4.773 9.331 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.492 2.747 8.412 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.198 4.176 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.907 3.556 8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.803 2.998 10.865 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.239 3.823 11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.735 4.608 11.621 1.00 0.00 H new ATOM 1199 N LYS A 77 -9.734 8.770 10.091 1.00 0.00 N ATOM 1200 CA LYS A 77 -9.118 10.048 9.777 1.00 0.00 C ATOM 1201 C LYS A 77 -7.795 9.806 9.047 1.00 0.00 C ATOM 1202 O LYS A 77 -7.480 8.673 8.685 1.00 0.00 O ATOM 1203 CB LYS A 77 -8.977 10.900 11.040 1.00 0.00 C ATOM 1204 CG LYS A 77 -7.738 10.492 11.840 1.00 0.00 C ATOM 1205 CD LYS A 77 -7.238 11.652 12.704 1.00 0.00 C ATOM 1206 CE LYS A 77 -7.038 12.915 11.864 1.00 0.00 C ATOM 1207 NZ LYS A 77 -5.942 13.739 12.420 1.00 0.00 N ATOM 0 H LYS A 77 -9.129 8.115 10.586 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.754 10.622 9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.908 11.953 10.767 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.867 10.789 11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.975 9.637 12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.949 10.175 11.159 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.954 11.851 13.502 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.298 11.376 13.181 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.809 12.641 10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.961 13.494 11.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.820 14.592 11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.176 14.015 13.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.059 13.189 12.418 1.00 0.00 H new ATOM 1221 N GLU A 78 -7.056 10.888 8.854 1.00 0.00 N ATOM 1222 CA GLU A 78 -5.774 10.808 8.174 1.00 0.00 C ATOM 1223 C GLU A 78 -4.712 10.229 9.112 1.00 0.00 C ATOM 1224 O GLU A 78 -4.457 10.778 10.182 1.00 0.00 O ATOM 1225 CB GLU A 78 -5.348 12.178 7.643 1.00 0.00 C ATOM 1226 CG GLU A 78 -6.457 12.808 6.799 1.00 0.00 C ATOM 1227 CD GLU A 78 -7.198 13.891 7.586 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -6.609 14.983 7.740 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -8.335 13.603 8.016 1.00 0.00 O ATOM 0 H GLU A 78 -7.320 11.826 9.157 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.879 10.141 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.103 12.835 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.444 12.074 7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.029 13.240 5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.160 12.038 6.483 1.00 0.00 H new ATOM 1236 N GLY A 79 -4.121 9.126 8.675 1.00 0.00 N ATOM 1237 CA GLY A 79 -3.093 8.466 9.461 1.00 0.00 C ATOM 1238 C GLY A 79 -3.474 7.014 9.756 1.00 0.00 C ATOM 1239 O GLY A 79 -2.605 6.172 9.975 1.00 0.00 O ATOM 0 H GLY A 79 -4.335 8.673 7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.145 8.495 8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.945 9.004 10.397 1.00 0.00 H new ATOM 1243 N ASP A 80 -4.776 6.765 9.751 1.00 0.00 N ATOM 1244 CA ASP A 80 -5.283 5.429 10.015 1.00 0.00 C ATOM 1245 C ASP A 80 -5.149 4.579 8.750 1.00 0.00 C ATOM 1246 O ASP A 80 -5.398 5.059 7.645 1.00 0.00 O ATOM 1247 CB ASP A 80 -6.763 5.469 10.403 1.00 0.00 C ATOM 1248 CG ASP A 80 -7.078 4.942 11.804 1.00 0.00 C ATOM 1249 OD1 ASP A 80 -7.209 3.705 11.929 1.00 0.00 O ATOM 1250 OD2 ASP A 80 -7.180 5.788 12.719 1.00 0.00 O ATOM 0 H ASP A 80 -5.494 7.466 9.568 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.706 5.005 10.837 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.114 6.498 10.331 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.330 4.887 9.676 1.00 0.00 H new ATOM 1255 N PHE A 81 -4.755 3.330 8.954 1.00 0.00 N ATOM 1256 CA PHE A 81 -4.585 2.408 7.844 1.00 0.00 C ATOM 1257 C PHE A 81 -5.575 1.246 7.940 1.00 0.00 C ATOM 1258 O PHE A 81 -6.250 1.083 8.955 1.00 0.00 O ATOM 1259 CB PHE A 81 -3.160 1.858 7.935 1.00 0.00 C ATOM 1260 CG PHE A 81 -2.607 1.794 9.360 1.00 0.00 C ATOM 1261 CD1 PHE A 81 -3.007 0.802 10.201 1.00 0.00 C ATOM 1262 CD2 PHE A 81 -1.716 2.729 9.786 1.00 0.00 C ATOM 1263 CE1 PHE A 81 -2.493 0.743 11.523 1.00 0.00 C ATOM 1264 CE2 PHE A 81 -1.203 2.670 11.109 1.00 0.00 C ATOM 1265 CZ PHE A 81 -1.602 1.678 11.950 1.00 0.00 C ATOM 0 H PHE A 81 -4.549 2.935 9.872 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.763 2.924 6.900 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.140 0.857 7.503 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.502 2.480 7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.715 0.060 9.863 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.399 3.516 9.118 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.810 -0.045 12.190 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.496 3.413 11.447 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.212 1.633 12.956 1.00 0.00 H new ATOM 1275 N CYS A 82 -5.630 0.468 6.869 1.00 0.00 N ATOM 1276 CA CYS A 82 -6.527 -0.674 6.819 1.00 0.00 C ATOM 1277 C CYS A 82 -5.687 -1.935 6.606 1.00 0.00 C ATOM 1278 O CYS A 82 -4.572 -1.863 6.093 1.00 0.00 O ATOM 1279 CB CYS A 82 -7.594 -0.509 5.736 1.00 0.00 C ATOM 1280 SG CYS A 82 -6.872 0.304 4.264 1.00 0.00 S ATOM 0 H CYS A 82 -5.068 0.606 6.029 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.070 -0.755 7.761 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -7.999 -1.483 5.462 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.424 0.085 6.119 1.00 0.00 H new ATOM 0 HG CYS A 82 -7.786 0.437 3.350 1.00 0.00 H new ATOM 1286 N GLY A 83 -6.255 -3.062 7.011 1.00 0.00 N ATOM 1287 CA GLY A 83 -5.573 -4.337 6.870 1.00 0.00 C ATOM 1288 C GLY A 83 -4.080 -4.197 7.177 1.00 0.00 C ATOM 1289 O GLY A 83 -3.238 -4.580 6.368 1.00 0.00 O ATOM 0 H GLY A 83 -7.180 -3.118 7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.019 -5.069 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.706 -4.714 5.856 1.00 0.00 H new ATOM 1293 N ASP A 84 -3.799 -3.646 8.349 1.00 0.00 N ATOM 1294 CA ASP A 84 -2.424 -3.450 8.773 1.00 0.00 C ATOM 1295 C ASP A 84 -1.770 -4.813 9.013 1.00 0.00 C ATOM 1296 O ASP A 84 -0.545 -4.924 9.022 1.00 0.00 O ATOM 1297 CB ASP A 84 -2.357 -2.658 10.081 1.00 0.00 C ATOM 1298 CG ASP A 84 -2.658 -3.467 11.343 1.00 0.00 C ATOM 1299 OD1 ASP A 84 -3.862 -3.647 11.629 1.00 0.00 O ATOM 1300 OD2 ASP A 84 -1.678 -3.888 11.995 1.00 0.00 O ATOM 0 H ASP A 84 -4.501 -3.329 9.018 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.906 -2.897 7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.362 -2.224 10.175 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.062 -1.829 10.023 1.00 0.00 H new ATOM 1305 N GLU A 85 -2.616 -5.815 9.201 1.00 0.00 N ATOM 1306 CA GLU A 85 -2.136 -7.165 9.439 1.00 0.00 C ATOM 1307 C GLU A 85 -1.094 -7.552 8.387 1.00 0.00 C ATOM 1308 O GLU A 85 -0.107 -8.216 8.700 1.00 0.00 O ATOM 1309 CB GLU A 85 -3.294 -8.164 9.457 1.00 0.00 C ATOM 1310 CG GLU A 85 -4.228 -7.900 10.640 1.00 0.00 C ATOM 1311 CD GLU A 85 -3.745 -8.633 11.894 1.00 0.00 C ATOM 1312 OE1 GLU A 85 -4.004 -9.853 11.973 1.00 0.00 O ATOM 1313 OE2 GLU A 85 -3.126 -7.956 12.744 1.00 0.00 O ATOM 0 H GLU A 85 -3.631 -5.719 9.193 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.661 -7.192 10.420 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.854 -8.094 8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.902 -9.179 9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.278 -6.829 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.238 -8.225 10.390 1.00 0.00 H new ATOM 1320 N LEU A 86 -1.350 -7.120 7.161 1.00 0.00 N ATOM 1321 CA LEU A 86 -0.447 -7.413 6.061 1.00 0.00 C ATOM 1322 C LEU A 86 0.981 -7.045 6.468 1.00 0.00 C ATOM 1323 O LEU A 86 1.911 -7.822 6.256 1.00 0.00 O ATOM 1324 CB LEU A 86 -0.920 -6.720 4.781 1.00 0.00 C ATOM 1325 CG LEU A 86 -0.048 -6.933 3.542 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -0.111 -8.387 3.070 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -0.426 -5.953 2.430 1.00 0.00 C ATOM 0 H LEU A 86 -2.170 -6.569 6.905 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.451 -8.480 5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.928 -7.067 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.987 -5.649 4.974 1.00 0.00 H new ATOM 0 HG LEU A 86 0.987 -6.727 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.518 -8.511 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.245 -9.043 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.140 -8.644 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.209 -6.126 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.469 -6.102 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.287 -4.931 2.783 1.00 0.00 H new ATOM 1339 N LEU A 87 1.112 -5.859 7.044 1.00 0.00 N ATOM 1340 CA LEU A 87 2.411 -5.378 7.483 1.00 0.00 C ATOM 1341 C LEU A 87 3.075 -6.443 8.358 1.00 0.00 C ATOM 1342 O LEU A 87 4.231 -6.801 8.138 1.00 0.00 O ATOM 1343 CB LEU A 87 2.276 -4.016 8.166 1.00 0.00 C ATOM 1344 CG LEU A 87 3.140 -2.891 7.595 1.00 0.00 C ATOM 1345 CD1 LEU A 87 2.500 -2.289 6.343 1.00 0.00 C ATOM 1346 CD2 LEU A 87 3.429 -1.828 8.658 1.00 0.00 C ATOM 0 H LEU A 87 0.339 -5.216 7.217 1.00 0.00 H new ATOM 0 HA LEU A 87 3.066 -5.215 6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.232 -3.708 8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.521 -4.135 9.221 1.00 0.00 H new ATOM 0 HG LEU A 87 4.098 -3.316 7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.135 -1.491 5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.388 -3.063 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.520 -1.883 6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.045 -1.039 8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.490 -1.402 9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.958 -2.284 9.495 1.00 0.00 H new ATOM 1358 N THR A 88 2.315 -6.920 9.333 1.00 0.00 N ATOM 1359 CA THR A 88 2.815 -7.936 10.243 1.00 0.00 C ATOM 1360 C THR A 88 3.019 -9.260 9.504 1.00 0.00 C ATOM 1361 O THR A 88 4.008 -9.955 9.730 1.00 0.00 O ATOM 1362 CB THR A 88 1.840 -8.040 11.418 1.00 0.00 C ATOM 1363 OG1 THR A 88 2.485 -7.326 12.469 1.00 0.00 O ATOM 1364 CG2 THR A 88 1.722 -9.467 11.956 1.00 0.00 C ATOM 0 H THR A 88 1.356 -6.621 9.512 1.00 0.00 H new ATOM 0 HA THR A 88 3.794 -7.666 10.638 1.00 0.00 H new ATOM 0 HB THR A 88 0.857 -7.687 11.106 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.920 -7.342 13.270 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.018 -9.485 12.788 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.365 -10.126 11.164 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.699 -9.808 12.299 1.00 0.00 H new ATOM 1372 N TRP A 89 2.067 -9.568 8.635 1.00 0.00 N ATOM 1373 CA TRP A 89 2.130 -10.797 7.861 1.00 0.00 C ATOM 1374 C TRP A 89 3.551 -10.937 7.311 1.00 0.00 C ATOM 1375 O TRP A 89 4.221 -11.938 7.560 1.00 0.00 O ATOM 1376 CB TRP A 89 1.061 -10.810 6.767 1.00 0.00 C ATOM 1377 CG TRP A 89 1.284 -11.877 5.693 1.00 0.00 C ATOM 1378 CD1 TRP A 89 0.888 -13.157 5.707 1.00 0.00 C ATOM 1379 CD2 TRP A 89 1.974 -11.702 4.438 1.00 0.00 C ATOM 1380 NE1 TRP A 89 1.272 -13.818 4.558 1.00 0.00 N ATOM 1381 CE2 TRP A 89 1.953 -12.905 3.761 1.00 0.00 C ATOM 1382 CE3 TRP A 89 2.596 -10.565 3.892 1.00 0.00 C ATOM 1383 CZ2 TRP A 89 2.538 -13.087 2.502 1.00 0.00 C ATOM 1384 CZ3 TRP A 89 3.176 -10.764 2.633 1.00 0.00 C ATOM 1385 CH2 TRP A 89 3.163 -11.968 1.939 1.00 0.00 C ATOM 0 H TRP A 89 1.248 -8.988 8.450 1.00 0.00 H new ATOM 0 HA TRP A 89 1.914 -11.661 8.489 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.086 -10.971 7.227 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.031 -9.830 6.291 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.337 -13.614 6.516 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.090 -14.796 4.335 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.624 -9.614 4.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.509 -14.039 1.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 3.668 -9.922 2.169 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.633 -12.040 0.969 1.00 0.00 H new ATOM 1396 N ALA A 90 3.968 -9.918 6.573 1.00 0.00 N ATOM 1397 CA ALA A 90 5.297 -9.915 5.986 1.00 0.00 C ATOM 1398 C ALA A 90 6.339 -10.109 7.090 1.00 0.00 C ATOM 1399 O ALA A 90 7.217 -10.963 6.977 1.00 0.00 O ATOM 1400 CB ALA A 90 5.508 -8.616 5.207 1.00 0.00 C ATOM 0 H ALA A 90 3.409 -9.090 6.369 1.00 0.00 H new ATOM 0 HA ALA A 90 5.407 -10.739 5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.505 -8.614 4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.762 -8.541 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.408 -7.766 5.882 1.00 0.00 H new ATOM 1406 N LEU A 91 6.206 -9.302 8.132 1.00 0.00 N ATOM 1407 CA LEU A 91 7.125 -9.374 9.256 1.00 0.00 C ATOM 1408 C LEU A 91 7.118 -10.795 9.825 1.00 0.00 C ATOM 1409 O LEU A 91 8.098 -11.232 10.426 1.00 0.00 O ATOM 1410 CB LEU A 91 6.793 -8.296 10.289 1.00 0.00 C ATOM 1411 CG LEU A 91 7.635 -7.020 10.221 1.00 0.00 C ATOM 1412 CD1 LEU A 91 8.116 -6.757 8.793 1.00 0.00 C ATOM 1413 CD2 LEU A 91 6.869 -5.827 10.797 1.00 0.00 C ATOM 0 H LEU A 91 5.476 -8.595 8.222 1.00 0.00 H new ATOM 0 HA LEU A 91 8.144 -9.166 8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.744 -8.022 10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.903 -8.728 11.284 1.00 0.00 H new ATOM 0 HG LEU A 91 8.522 -7.162 10.839 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.712 -5.845 8.772 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.724 -7.596 8.454 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.255 -6.643 8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.489 -4.933 10.737 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.953 -5.672 10.226 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.618 -6.025 11.839 1.00 0.00 H new ATOM 1425 N ASP A 92 6.001 -11.476 9.615 1.00 0.00 N ATOM 1426 CA ASP A 92 5.853 -12.838 10.100 1.00 0.00 C ATOM 1427 C ASP A 92 6.327 -13.813 9.020 1.00 0.00 C ATOM 1428 O ASP A 92 5.718 -13.912 7.956 1.00 0.00 O ATOM 1429 CB ASP A 92 4.389 -13.155 10.413 1.00 0.00 C ATOM 1430 CG ASP A 92 4.027 -13.135 11.899 1.00 0.00 C ATOM 1431 OD1 ASP A 92 4.469 -14.068 12.604 1.00 0.00 O ATOM 1432 OD2 ASP A 92 3.317 -12.186 12.297 1.00 0.00 O ATOM 0 H ASP A 92 5.190 -11.110 9.116 1.00 0.00 H new ATOM 0 HA ASP A 92 6.446 -12.939 11.009 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.758 -12.436 9.891 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.152 -14.140 10.010 1.00 0.00 H new ATOM 1437 N PRO A 93 7.439 -14.528 9.340 1.00 0.00 N ATOM 1438 CA PRO A 93 8.003 -15.492 8.410 1.00 0.00 C ATOM 1439 C PRO A 93 7.156 -16.765 8.361 1.00 0.00 C ATOM 1440 O PRO A 93 6.956 -17.341 7.293 1.00 0.00 O ATOM 1441 CB PRO A 93 9.418 -15.738 8.908 1.00 0.00 C ATOM 1442 CG PRO A 93 9.440 -15.264 10.352 1.00 0.00 C ATOM 1443 CD PRO A 93 8.187 -14.437 10.591 1.00 0.00 C ATOM 0 HA PRO A 93 8.015 -15.129 7.382 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.678 -16.794 8.840 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.144 -15.191 8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.471 -16.115 11.033 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.333 -14.669 10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.608 -14.828 11.428 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.435 -13.403 10.830 1.00 0.00 H new ATOM 1451 N LYS A 94 6.682 -17.168 9.531 1.00 0.00 N ATOM 1452 CA LYS A 94 5.862 -18.363 9.635 1.00 0.00 C ATOM 1453 C LYS A 94 4.694 -18.261 8.652 1.00 0.00 C ATOM 1454 O LYS A 94 4.324 -19.248 8.018 1.00 0.00 O ATOM 1455 CB LYS A 94 5.428 -18.591 11.084 1.00 0.00 C ATOM 1456 CG LYS A 94 6.642 -18.693 12.010 1.00 0.00 C ATOM 1457 CD LYS A 94 7.657 -19.705 11.474 1.00 0.00 C ATOM 1458 CE LYS A 94 8.326 -20.469 12.618 1.00 0.00 C ATOM 1459 NZ LYS A 94 9.154 -19.557 13.437 1.00 0.00 N ATOM 0 H LYS A 94 6.850 -16.688 10.415 1.00 0.00 H new ATOM 0 HA LYS A 94 6.438 -19.246 9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.786 -17.772 11.408 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.837 -19.504 11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.114 -17.715 12.106 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.319 -18.990 13.008 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.158 -20.407 10.806 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.415 -19.188 10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.566 -20.939 13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.947 -21.269 12.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.680 -20.108 14.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.825 -19.052 12.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.540 -18.869 13.919 1.00 0.00 H new ATOM 1516 N LEU A 99 -2.386 -15.370 1.523 1.00 0.00 N ATOM 1517 CA LEU A 99 -2.421 -13.982 1.952 1.00 0.00 C ATOM 1518 C LEU A 99 -3.297 -13.860 3.201 1.00 0.00 C ATOM 1519 O LEU A 99 -4.155 -14.707 3.446 1.00 0.00 O ATOM 1520 CB LEU A 99 -2.863 -13.076 0.801 1.00 0.00 C ATOM 1521 CG LEU A 99 -2.073 -13.215 -0.503 1.00 0.00 C ATOM 1522 CD1 LEU A 99 -2.879 -12.685 -1.691 1.00 0.00 C ATOM 1523 CD2 LEU A 99 -0.705 -12.540 -0.390 1.00 0.00 C ATOM 0 HA LEU A 99 -1.422 -13.644 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.913 -13.277 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.797 -12.040 1.134 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.894 -14.275 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.295 -12.795 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.807 -13.250 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.110 -11.632 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.165 -12.654 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.839 -11.480 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.135 -13.005 0.415 1.00 0.00 H new ATOM 1535 N PRO A 100 -3.044 -12.773 3.977 1.00 0.00 N ATOM 1536 CA PRO A 100 -3.800 -12.530 5.194 1.00 0.00 C ATOM 1537 C PRO A 100 -5.205 -12.017 4.873 1.00 0.00 C ATOM 1538 O PRO A 100 -5.499 -11.673 3.730 1.00 0.00 O ATOM 1539 CB PRO A 100 -2.968 -11.530 5.980 1.00 0.00 C ATOM 1540 CG PRO A 100 -2.016 -10.899 4.977 1.00 0.00 C ATOM 1541 CD PRO A 100 -2.036 -11.749 3.717 1.00 0.00 C ATOM 0 HA PRO A 100 -3.964 -13.437 5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.602 -10.775 6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.419 -12.024 6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.320 -9.877 4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.007 -10.848 5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.293 -11.153 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.060 -12.194 3.524 1.00 0.00 H new ATOM 1549 N SER A 101 -6.038 -11.984 5.904 1.00 0.00 N ATOM 1550 CA SER A 101 -7.405 -11.519 5.746 1.00 0.00 C ATOM 1551 C SER A 101 -7.656 -10.312 6.653 1.00 0.00 C ATOM 1552 O SER A 101 -7.272 -10.319 7.821 1.00 0.00 O ATOM 1553 CB SER A 101 -8.405 -12.634 6.059 1.00 0.00 C ATOM 1554 OG SER A 101 -8.007 -13.882 5.497 1.00 0.00 O ATOM 0 H SER A 101 -5.792 -12.272 6.851 1.00 0.00 H new ATOM 0 HA SER A 101 -7.547 -11.221 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.505 -12.738 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.387 -12.359 5.673 1.00 0.00 H new ATOM 0 HG SER A 101 -8.670 -14.568 5.721 1.00 0.00 H new ATOM 1560 N SER A 102 -8.298 -9.305 6.080 1.00 0.00 N ATOM 1561 CA SER A 102 -8.605 -8.094 6.821 1.00 0.00 C ATOM 1562 C SER A 102 -9.769 -8.348 7.781 1.00 0.00 C ATOM 1563 O SER A 102 -10.584 -9.240 7.551 1.00 0.00 O ATOM 1564 CB SER A 102 -8.939 -6.939 5.876 1.00 0.00 C ATOM 1565 OG SER A 102 -8.672 -5.670 6.468 1.00 0.00 O ATOM 0 H SER A 102 -8.614 -9.303 5.110 1.00 0.00 H new ATOM 0 HA SER A 102 -7.723 -7.813 7.396 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.358 -7.041 4.959 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.991 -6.994 5.594 1.00 0.00 H new ATOM 0 HG SER A 102 -9.500 -5.146 6.507 1.00 0.00 H new ATOM 1571 N THR A 103 -9.809 -7.549 8.837 1.00 0.00 N ATOM 1572 CA THR A 103 -10.860 -7.676 9.832 1.00 0.00 C ATOM 1573 C THR A 103 -11.808 -6.477 9.763 1.00 0.00 C ATOM 1574 O THR A 103 -12.876 -6.489 10.374 1.00 0.00 O ATOM 1575 CB THR A 103 -10.197 -7.848 11.200 1.00 0.00 C ATOM 1576 OG1 THR A 103 -11.229 -7.528 12.129 1.00 0.00 O ATOM 1577 CG2 THR A 103 -9.118 -6.795 11.465 1.00 0.00 C ATOM 0 H THR A 103 -9.130 -6.811 9.025 1.00 0.00 H new ATOM 0 HA THR A 103 -11.480 -8.552 9.642 1.00 0.00 H new ATOM 0 HB THR A 103 -9.757 -8.843 11.267 1.00 0.00 H new ATOM 0 HG1 THR A 103 -12.090 -7.491 11.662 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.680 -6.963 12.449 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.341 -6.871 10.704 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.564 -5.801 11.431 1.00 0.00 H new ATOM 1585 N ARG A 104 -11.384 -5.470 9.013 1.00 0.00 N ATOM 1586 CA ARG A 104 -12.182 -4.266 8.856 1.00 0.00 C ATOM 1587 C ARG A 104 -12.594 -4.090 7.393 1.00 0.00 C ATOM 1588 O ARG A 104 -11.851 -4.461 6.486 1.00 0.00 O ATOM 1589 CB ARG A 104 -11.407 -3.029 9.313 1.00 0.00 C ATOM 1590 CG ARG A 104 -12.143 -1.746 8.922 1.00 0.00 C ATOM 1591 CD ARG A 104 -12.015 -0.684 10.016 1.00 0.00 C ATOM 1592 NE ARG A 104 -13.261 -0.625 10.812 1.00 0.00 N ATOM 1593 CZ ARG A 104 -13.361 -0.027 12.008 1.00 0.00 C ATOM 1594 NH1 ARG A 104 -12.290 0.566 12.552 1.00 0.00 N ATOM 1595 NH2 ARG A 104 -14.532 -0.023 12.659 1.00 0.00 N ATOM 0 H ARG A 104 -10.498 -5.463 8.507 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.071 -4.373 9.477 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.271 -3.059 10.394 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.413 -3.033 8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.737 -1.360 7.987 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -13.196 -1.966 8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.170 -0.918 10.664 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.813 0.289 9.568 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.096 -1.067 10.427 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.398 0.563 12.056 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.366 1.021 13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.347 -0.475 12.245 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.608 0.432 13.569 1.00 0.00 H new ATOM 1609 N THR A 105 -13.778 -3.523 7.210 1.00 0.00 N ATOM 1610 CA THR A 105 -14.298 -3.293 5.872 1.00 0.00 C ATOM 1611 C THR A 105 -14.434 -1.793 5.604 1.00 0.00 C ATOM 1612 O THR A 105 -15.360 -1.152 6.098 1.00 0.00 O ATOM 1613 CB THR A 105 -15.617 -4.056 5.741 1.00 0.00 C ATOM 1614 OG1 THR A 105 -15.305 -5.371 6.190 1.00 0.00 O ATOM 1615 CG2 THR A 105 -16.038 -4.251 4.282 1.00 0.00 C ATOM 0 H THR A 105 -14.391 -3.216 7.965 1.00 0.00 H new ATOM 0 HA THR A 105 -13.613 -3.666 5.111 1.00 0.00 H new ATOM 0 HB THR A 105 -16.400 -3.520 6.277 1.00 0.00 H new ATOM 0 HG1 THR A 105 -14.370 -5.575 5.980 1.00 0.00 H new ATOM 0 HG21 THR A 105 -16.980 -4.798 4.245 1.00 0.00 H new ATOM 0 HG22 THR A 105 -16.164 -3.278 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 105 -15.270 -4.816 3.754 1.00 0.00 H new ATOM 1623 N VAL A 106 -13.497 -1.277 4.822 1.00 0.00 N ATOM 1624 CA VAL A 106 -13.500 0.136 4.482 1.00 0.00 C ATOM 1625 C VAL A 106 -13.958 0.306 3.032 1.00 0.00 C ATOM 1626 O VAL A 106 -13.819 -0.610 2.222 1.00 0.00 O ATOM 1627 CB VAL A 106 -12.121 0.741 4.748 1.00 0.00 C ATOM 1628 CG1 VAL A 106 -11.987 2.114 4.085 1.00 0.00 C ATOM 1629 CG2 VAL A 106 -11.841 0.828 6.250 1.00 0.00 C ATOM 0 H VAL A 106 -12.730 -1.812 4.414 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.205 0.679 5.112 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.375 0.081 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.997 2.522 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.122 2.013 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -12.746 2.786 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.854 1.262 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.595 1.455 6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -11.874 -0.171 6.685 1.00 0.00 H new ATOM 1639 N LYS A 107 -14.494 1.484 2.748 1.00 0.00 N ATOM 1640 CA LYS A 107 -14.973 1.785 1.410 1.00 0.00 C ATOM 1641 C LYS A 107 -14.639 3.239 1.069 1.00 0.00 C ATOM 1642 O LYS A 107 -14.368 4.043 1.960 1.00 0.00 O ATOM 1643 CB LYS A 107 -16.460 1.450 1.285 1.00 0.00 C ATOM 1644 CG LYS A 107 -16.796 0.961 -0.125 1.00 0.00 C ATOM 1645 CD LYS A 107 -18.165 1.476 -0.573 1.00 0.00 C ATOM 1646 CE LYS A 107 -18.019 2.688 -1.495 1.00 0.00 C ATOM 1647 NZ LYS A 107 -19.181 2.790 -2.406 1.00 0.00 N ATOM 0 H LYS A 107 -14.607 2.241 3.422 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.467 1.160 0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.726 0.683 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -17.056 2.332 1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -16.030 1.299 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -16.789 -0.129 -0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -18.704 0.683 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -18.759 1.748 0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -17.935 3.597 -0.900 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -17.101 2.602 -2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -18.929 3.379 -3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -19.451 1.840 -2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -19.981 3.223 -1.901 1.00 0.00 H new ATOM 1661 N ALA A 108 -14.670 3.533 -0.222 1.00 0.00 N ATOM 1662 CA ALA A 108 -14.375 4.876 -0.692 1.00 0.00 C ATOM 1663 C ALA A 108 -15.661 5.528 -1.201 1.00 0.00 C ATOM 1664 O ALA A 108 -16.241 5.078 -2.188 1.00 0.00 O ATOM 1665 CB ALA A 108 -13.287 4.813 -1.766 1.00 0.00 C ATOM 0 H ALA A 108 -14.895 2.864 -0.958 1.00 0.00 H new ATOM 0 HA ALA A 108 -13.994 5.493 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.065 5.820 -2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.385 4.369 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.635 4.204 -2.601 1.00 0.00 H new ATOM 1671 N LEU A 109 -16.071 6.578 -0.504 1.00 0.00 N ATOM 1672 CA LEU A 109 -17.278 7.297 -0.874 1.00 0.00 C ATOM 1673 C LEU A 109 -16.898 8.560 -1.650 1.00 0.00 C ATOM 1674 O LEU A 109 -17.699 9.082 -2.423 1.00 0.00 O ATOM 1675 CB LEU A 109 -18.138 7.570 0.362 1.00 0.00 C ATOM 1676 CG LEU A 109 -18.032 6.545 1.493 1.00 0.00 C ATOM 1677 CD1 LEU A 109 -17.050 7.014 2.568 1.00 0.00 C ATOM 1678 CD2 LEU A 109 -19.411 6.228 2.076 1.00 0.00 C ATOM 0 H LEU A 109 -15.588 6.948 0.315 1.00 0.00 H new ATOM 0 HA LEU A 109 -17.895 6.690 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -17.868 8.549 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -19.180 7.629 0.049 1.00 0.00 H new ATOM 0 HG LEU A 109 -17.636 5.618 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -16.994 6.267 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -16.063 7.149 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -17.393 7.961 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -19.308 5.497 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -19.857 7.140 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -20.052 5.821 1.294 1.00 0.00 H new ATOM 1690 N THR A 110 -15.675 9.013 -1.416 1.00 0.00 N ATOM 1691 CA THR A 110 -15.178 10.204 -2.084 1.00 0.00 C ATOM 1692 C THR A 110 -13.743 9.986 -2.567 1.00 0.00 C ATOM 1693 O THR A 110 -13.083 9.033 -2.154 1.00 0.00 O ATOM 1694 CB THR A 110 -15.322 11.382 -1.118 1.00 0.00 C ATOM 1695 OG1 THR A 110 -14.540 12.415 -1.711 1.00 0.00 O ATOM 1696 CG2 THR A 110 -14.640 11.123 0.227 1.00 0.00 C ATOM 0 H THR A 110 -15.014 8.577 -0.773 1.00 0.00 H new ATOM 0 HA THR A 110 -15.758 10.426 -2.980 1.00 0.00 H new ATOM 0 HB THR A 110 -16.379 11.590 -0.954 1.00 0.00 H new ATOM 0 HG1 THR A 110 -14.579 13.218 -1.150 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.772 11.990 0.875 1.00 0.00 H new ATOM 0 HG22 THR A 110 -15.085 10.247 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.576 10.948 0.068 1.00 0.00 H new ATOM 1704 N GLU A 111 -13.301 10.885 -3.434 1.00 0.00 N ATOM 1705 CA GLU A 111 -11.956 10.803 -3.977 1.00 0.00 C ATOM 1706 C GLU A 111 -10.930 10.732 -2.845 1.00 0.00 C ATOM 1707 O GLU A 111 -10.770 11.687 -2.086 1.00 0.00 O ATOM 1708 CB GLU A 111 -11.667 11.984 -4.906 1.00 0.00 C ATOM 1709 CG GLU A 111 -10.542 11.647 -5.887 1.00 0.00 C ATOM 1710 CD GLU A 111 -10.355 12.768 -6.912 1.00 0.00 C ATOM 1711 OE1 GLU A 111 -11.353 13.087 -7.592 1.00 0.00 O ATOM 1712 OE2 GLU A 111 -9.217 13.279 -6.992 1.00 0.00 O ATOM 0 H GLU A 111 -13.851 11.674 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.879 9.891 -4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.569 12.246 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.390 12.857 -4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.612 11.491 -5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.770 10.713 -6.401 1.00 0.00 H new ATOM 1719 N VAL A 112 -10.261 9.591 -2.766 1.00 0.00 N ATOM 1720 CA VAL A 112 -9.254 9.383 -1.739 1.00 0.00 C ATOM 1721 C VAL A 112 -7.864 9.431 -2.376 1.00 0.00 C ATOM 1722 O VAL A 112 -7.679 8.978 -3.505 1.00 0.00 O ATOM 1723 CB VAL A 112 -9.527 8.073 -0.997 1.00 0.00 C ATOM 1724 CG1 VAL A 112 -8.655 7.961 0.255 1.00 0.00 C ATOM 1725 CG2 VAL A 112 -11.010 7.940 -0.646 1.00 0.00 C ATOM 0 H VAL A 112 -10.397 8.801 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.298 10.178 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.266 7.250 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.868 7.021 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.603 7.988 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.871 8.794 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.176 7.000 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.309 8.772 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.603 7.953 -1.561 1.00 0.00 H new ATOM 1735 N GLU A 113 -6.922 9.983 -1.625 1.00 0.00 N ATOM 1736 CA GLU A 113 -5.555 10.096 -2.103 1.00 0.00 C ATOM 1737 C GLU A 113 -4.611 9.296 -1.203 1.00 0.00 C ATOM 1738 O GLU A 113 -4.349 9.688 -0.067 1.00 0.00 O ATOM 1739 CB GLU A 113 -5.122 11.561 -2.186 1.00 0.00 C ATOM 1740 CG GLU A 113 -5.925 12.311 -3.251 1.00 0.00 C ATOM 1741 CD GLU A 113 -6.509 13.607 -2.686 1.00 0.00 C ATOM 1742 OE1 GLU A 113 -7.478 13.499 -1.903 1.00 0.00 O ATOM 1743 OE2 GLU A 113 -5.974 14.676 -3.049 1.00 0.00 O ATOM 0 H GLU A 113 -7.079 10.357 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.507 9.680 -3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.260 12.040 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.059 11.617 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.283 12.538 -4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.730 11.675 -3.619 1.00 0.00 H new ATOM 1750 N ALA A 114 -4.125 8.188 -1.745 1.00 0.00 N ATOM 1751 CA ALA A 114 -3.216 7.329 -1.006 1.00 0.00 C ATOM 1752 C ALA A 114 -2.458 6.432 -1.986 1.00 0.00 C ATOM 1753 O ALA A 114 -2.734 6.445 -3.185 1.00 0.00 O ATOM 1754 CB ALA A 114 -4.003 6.526 0.032 1.00 0.00 C ATOM 0 H ALA A 114 -4.344 7.866 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.479 7.924 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.321 5.881 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.498 7.210 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.751 5.914 -0.472 1.00 0.00 H new ATOM 1760 N PHE A 115 -1.519 5.674 -1.440 1.00 0.00 N ATOM 1761 CA PHE A 115 -0.719 4.772 -2.252 1.00 0.00 C ATOM 1762 C PHE A 115 -0.970 3.315 -1.860 1.00 0.00 C ATOM 1763 O PHE A 115 -1.519 3.040 -0.794 1.00 0.00 O ATOM 1764 CB PHE A 115 0.748 5.114 -1.986 1.00 0.00 C ATOM 1765 CG PHE A 115 1.153 6.518 -2.441 1.00 0.00 C ATOM 1766 CD1 PHE A 115 0.828 7.598 -1.682 1.00 0.00 C ATOM 1767 CD2 PHE A 115 1.837 6.685 -3.605 1.00 0.00 C ATOM 1768 CE1 PHE A 115 1.203 8.901 -2.104 1.00 0.00 C ATOM 1769 CE2 PHE A 115 2.212 7.988 -4.027 1.00 0.00 C ATOM 1770 CZ PHE A 115 1.887 9.068 -3.268 1.00 0.00 C ATOM 0 H PHE A 115 -1.294 5.666 -0.445 1.00 0.00 H new ATOM 0 HA PHE A 115 -0.979 4.887 -3.304 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.945 5.019 -0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.378 4.383 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.285 7.465 -0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.095 5.827 -4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.945 9.759 -1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.755 8.121 -4.951 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.172 10.059 -3.589 1.00 0.00 H new ATOM 1780 N ALA A 116 -0.556 2.418 -2.744 1.00 0.00 N ATOM 1781 CA ALA A 116 -0.728 0.996 -2.504 1.00 0.00 C ATOM 1782 C ALA A 116 0.621 0.378 -2.130 1.00 0.00 C ATOM 1783 O ALA A 116 1.666 0.994 -2.332 1.00 0.00 O ATOM 1784 CB ALA A 116 -1.346 0.341 -3.741 1.00 0.00 C ATOM 0 H ALA A 116 -0.102 2.649 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.410 0.828 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.475 -0.726 -3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.316 0.794 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.688 0.488 -4.597 1.00 0.00 H new ATOM 1790 N LEU A 117 0.553 -0.830 -1.591 1.00 0.00 N ATOM 1791 CA LEU A 117 1.756 -1.537 -1.187 1.00 0.00 C ATOM 1792 C LEU A 117 1.510 -3.045 -1.274 1.00 0.00 C ATOM 1793 O LEU A 117 0.629 -3.574 -0.599 1.00 0.00 O ATOM 1794 CB LEU A 117 2.214 -1.068 0.196 1.00 0.00 C ATOM 1795 CG LEU A 117 3.727 -1.007 0.416 1.00 0.00 C ATOM 1796 CD1 LEU A 117 4.401 -2.302 -0.043 1.00 0.00 C ATOM 1797 CD2 LEU A 117 4.331 0.224 -0.262 1.00 0.00 C ATOM 0 H LEU A 117 -0.316 -1.337 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 117 2.578 -1.308 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.800 -0.076 0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.784 -1.734 0.944 1.00 0.00 H new ATOM 0 HG LEU A 117 3.912 -0.909 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.476 -2.232 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.999 -3.142 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.209 -2.456 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.407 0.243 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.136 0.182 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.881 1.126 0.154 1.00 0.00 H new ATOM 1809 N ILE A 118 2.305 -3.694 -2.112 1.00 0.00 N ATOM 1810 CA ILE A 118 2.185 -5.130 -2.297 1.00 0.00 C ATOM 1811 C ILE A 118 2.923 -5.849 -1.166 1.00 0.00 C ATOM 1812 O ILE A 118 3.968 -5.388 -0.710 1.00 0.00 O ATOM 1813 CB ILE A 118 2.659 -5.533 -3.695 1.00 0.00 C ATOM 1814 CG1 ILE A 118 2.735 -7.055 -3.831 1.00 0.00 C ATOM 1815 CG2 ILE A 118 3.990 -4.860 -4.036 1.00 0.00 C ATOM 1816 CD1 ILE A 118 2.874 -7.467 -5.298 1.00 0.00 C ATOM 0 H ILE A 118 3.035 -3.252 -2.671 1.00 0.00 H new ATOM 0 HA ILE A 118 1.140 -5.435 -2.241 1.00 0.00 H new ATOM 0 HB ILE A 118 1.925 -5.182 -4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.584 -7.433 -3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.839 -7.507 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.305 -5.163 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.868 -3.777 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.746 -5.160 -3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.926 -8.554 -5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.012 -7.108 -5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.784 -7.033 -5.713 1.00 0.00 H new ATOM 1828 N ALA A 119 2.351 -6.968 -0.746 1.00 0.00 N ATOM 1829 CA ALA A 119 2.942 -7.755 0.323 1.00 0.00 C ATOM 1830 C ALA A 119 4.283 -8.321 -0.148 1.00 0.00 C ATOM 1831 O ALA A 119 5.290 -8.201 0.548 1.00 0.00 O ATOM 1832 CB ALA A 119 1.964 -8.852 0.750 1.00 0.00 C ATOM 0 H ALA A 119 1.484 -7.348 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 119 3.135 -7.132 1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.407 -9.443 1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.039 -8.397 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.749 -9.499 -0.101 1.00 0.00 H new ATOM 1838 N ASP A 120 4.253 -8.925 -1.327 1.00 0.00 N ATOM 1839 CA ASP A 120 5.454 -9.510 -1.899 1.00 0.00 C ATOM 1840 C ASP A 120 6.632 -8.557 -1.684 1.00 0.00 C ATOM 1841 O ASP A 120 7.519 -8.832 -0.877 1.00 0.00 O ATOM 1842 CB ASP A 120 5.295 -9.733 -3.404 1.00 0.00 C ATOM 1843 CG ASP A 120 5.553 -11.165 -3.876 1.00 0.00 C ATOM 1844 OD1 ASP A 120 6.268 -11.884 -3.145 1.00 0.00 O ATOM 1845 OD2 ASP A 120 5.030 -11.509 -4.958 1.00 0.00 O ATOM 0 H ASP A 120 3.416 -9.022 -1.902 1.00 0.00 H new ATOM 0 HA ASP A 120 5.629 -10.468 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 120 4.284 -9.448 -3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 120 5.977 -9.065 -3.929 1.00 0.00 H new ATOM 1850 N GLU A 121 6.604 -7.456 -2.421 1.00 0.00 N ATOM 1851 CA GLU A 121 7.658 -6.461 -2.321 1.00 0.00 C ATOM 1852 C GLU A 121 7.955 -6.148 -0.854 1.00 0.00 C ATOM 1853 O GLU A 121 9.090 -5.831 -0.500 1.00 0.00 O ATOM 1854 CB GLU A 121 7.287 -5.191 -3.089 1.00 0.00 C ATOM 1855 CG GLU A 121 7.098 -5.486 -4.578 1.00 0.00 C ATOM 1856 CD GLU A 121 8.437 -5.454 -5.318 1.00 0.00 C ATOM 1857 OE1 GLU A 121 9.227 -6.398 -5.102 1.00 0.00 O ATOM 1858 OE2 GLU A 121 8.640 -4.486 -6.083 1.00 0.00 O ATOM 0 H GLU A 121 5.868 -7.231 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 121 8.561 -6.870 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.370 -4.769 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.068 -4.442 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.633 -6.464 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.420 -4.753 -5.014 1.00 0.00 H new ATOM 1865 N LEU A 122 6.916 -6.248 -0.038 1.00 0.00 N ATOM 1866 CA LEU A 122 7.051 -5.980 1.383 1.00 0.00 C ATOM 1867 C LEU A 122 7.894 -7.082 2.028 1.00 0.00 C ATOM 1868 O LEU A 122 9.025 -6.840 2.446 1.00 0.00 O ATOM 1869 CB LEU A 122 5.675 -5.801 2.029 1.00 0.00 C ATOM 1870 CG LEU A 122 5.602 -4.804 3.187 1.00 0.00 C ATOM 1871 CD1 LEU A 122 4.155 -4.399 3.471 1.00 0.00 C ATOM 1872 CD2 LEU A 122 6.298 -5.358 4.432 1.00 0.00 C ATOM 0 H LEU A 122 5.976 -6.511 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 122 7.578 -5.039 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.972 -5.484 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.336 -6.772 2.390 1.00 0.00 H new ATOM 0 HG LEU A 122 6.137 -3.901 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.131 -3.690 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.726 -3.935 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.575 -5.283 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 122 6.232 -4.630 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 122 5.813 -6.285 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.346 -5.555 4.206 1.00 0.00 H new ATOM 1884 N LYS A 123 7.310 -8.270 2.090 1.00 0.00 N ATOM 1885 CA LYS A 123 7.993 -9.410 2.677 1.00 0.00 C ATOM 1886 C LYS A 123 9.437 -9.449 2.173 1.00 0.00 C ATOM 1887 O LYS A 123 10.369 -9.607 2.961 1.00 0.00 O ATOM 1888 CB LYS A 123 7.213 -10.699 2.407 1.00 0.00 C ATOM 1889 CG LYS A 123 7.505 -11.751 3.479 1.00 0.00 C ATOM 1890 CD LYS A 123 6.226 -12.478 3.897 1.00 0.00 C ATOM 1891 CE LYS A 123 6.154 -13.869 3.264 1.00 0.00 C ATOM 1892 NZ LYS A 123 7.084 -14.797 3.945 1.00 0.00 N ATOM 0 H LYS A 123 6.371 -8.467 1.743 1.00 0.00 H new ATOM 0 HA LYS A 123 8.036 -9.311 3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.145 -10.484 2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.480 -11.091 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.229 -12.471 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.957 -11.274 4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.192 -12.567 4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.356 -11.893 3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 123 5.136 -14.252 3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.404 -13.806 2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 7.362 -15.554 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.931 -14.277 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 6.614 -15.213 4.774 1.00 0.00 H new ATOM 1906 N PHE A 124 9.578 -9.301 0.864 1.00 0.00 N ATOM 1907 CA PHE A 124 10.893 -9.317 0.247 1.00 0.00 C ATOM 1908 C PHE A 124 11.850 -8.367 0.969 1.00 0.00 C ATOM 1909 O PHE A 124 12.841 -8.803 1.552 1.00 0.00 O ATOM 1910 CB PHE A 124 10.715 -8.842 -1.197 1.00 0.00 C ATOM 1911 CG PHE A 124 12.028 -8.677 -1.964 1.00 0.00 C ATOM 1912 CD1 PHE A 124 12.689 -7.489 -1.933 1.00 0.00 C ATOM 1913 CD2 PHE A 124 12.535 -9.719 -2.677 1.00 0.00 C ATOM 1914 CE1 PHE A 124 13.908 -7.336 -2.645 1.00 0.00 C ATOM 1915 CE2 PHE A 124 13.754 -9.566 -3.389 1.00 0.00 C ATOM 1916 CZ PHE A 124 14.415 -8.377 -3.358 1.00 0.00 C ATOM 0 H PHE A 124 8.803 -9.169 0.214 1.00 0.00 H new ATOM 0 HA PHE A 124 11.315 -10.321 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.083 -9.554 -1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 124 10.186 -7.889 -1.193 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.287 -6.662 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 124 12.010 -10.663 -2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 124 14.433 -6.392 -2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 124 14.156 -10.393 -3.955 1.00 0.00 H new ATOM 0 HZ PHE A 124 15.342 -8.260 -3.900 1.00 0.00 H new ATOM 1926 N VAL A 125 11.519 -7.085 0.907 1.00 0.00 N ATOM 1927 CA VAL A 125 12.336 -6.069 1.549 1.00 0.00 C ATOM 1928 C VAL A 125 12.401 -6.347 3.052 1.00 0.00 C ATOM 1929 O VAL A 125 13.373 -5.985 3.712 1.00 0.00 O ATOM 1930 CB VAL A 125 11.793 -4.677 1.220 1.00 0.00 C ATOM 1931 CG1 VAL A 125 10.815 -4.202 2.297 1.00 0.00 C ATOM 1932 CG2 VAL A 125 12.933 -3.674 1.034 1.00 0.00 C ATOM 0 H VAL A 125 10.696 -6.727 0.422 1.00 0.00 H new ATOM 0 HA VAL A 125 13.357 -6.103 1.169 1.00 0.00 H new ATOM 0 HB VAL A 125 11.248 -4.743 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.444 -3.210 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.978 -4.898 2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 125 11.326 -4.160 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 125 12.520 -2.693 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 125 13.517 -3.613 1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 125 13.575 -4.001 0.216 1.00 0.00 H new ATOM 1942 N ALA A 126 11.352 -6.987 3.549 1.00 0.00 N ATOM 1943 CA ALA A 126 11.278 -7.317 4.962 1.00 0.00 C ATOM 1944 C ALA A 126 12.379 -8.323 5.304 1.00 0.00 C ATOM 1945 O ALA A 126 13.217 -8.062 6.165 1.00 0.00 O ATOM 1946 CB ALA A 126 9.881 -7.848 5.289 1.00 0.00 C ATOM 0 H ALA A 126 10.547 -7.285 2.998 1.00 0.00 H new ATOM 0 HA ALA A 126 11.441 -6.429 5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.825 -8.096 6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.138 -7.086 5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.683 -8.741 4.697 1.00 0.00 H new ATOM 1952 N SER A 127 12.340 -9.453 4.613 1.00 0.00 N ATOM 1953 CA SER A 127 13.323 -10.500 4.834 1.00 0.00 C ATOM 1954 C SER A 127 14.696 -10.039 4.341 1.00 0.00 C ATOM 1955 O SER A 127 15.691 -10.166 5.054 1.00 0.00 O ATOM 1956 CB SER A 127 12.914 -11.796 4.133 1.00 0.00 C ATOM 1957 OG SER A 127 13.216 -12.946 4.918 1.00 0.00 O ATOM 0 H SER A 127 11.643 -9.666 3.900 1.00 0.00 H new ATOM 0 HA SER A 127 13.376 -10.700 5.904 1.00 0.00 H new ATOM 0 HB2 SER A 127 11.845 -11.772 3.922 1.00 0.00 H new ATOM 0 HB3 SER A 127 13.427 -11.867 3.174 1.00 0.00 H new ATOM 0 HG SER A 127 12.938 -13.753 4.436 1.00 0.00 H new