USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=30 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 65 LYS NZ :NH3+ 149:sc= 0.504 (180deg=0) USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0.128 USER MOD Set 2.1: A 53 SER OG : rot -160:sc= 0 USER MOD Set 2.2: A 66 HIS : no HD1:sc= -0.649 K(o=-0.65,f=-2.2) USER MOD Set 3.1: A 43 SER OG : rot -122:sc= 1.69 USER MOD Set 3.2: A 45 SER OG : rot -72:sc= 0.516 USER MOD Set 3.3: A 46 ASN : amide:sc= -11.7! C(o=-9.5!,f=-11!) USER MOD Set 4.1: A 13 LYS NZ :NH3+ -164:sc= 1.44 (180deg=-0.569) USER MOD Set 4.2: A 27 GLN : amide:sc= 1.61 K(o=3.4,f=-3.5) USER MOD Set 4.3: A 32 MET CE :methyl 164:sc= -0.0746 (180deg=-0.823) USER MOD Set 4.4: A 110 CYS SG : rot 110:sc= 0.449 USER MOD Single : A 18 THR OG1 : rot -120:sc= -0.05 USER MOD Single : A 20 SER OG : rot 150:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 136:sc= 0.577 (180deg=-0.547) USER MOD Single : A 33 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.1!) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0.998 (180deg=0.875) USER MOD Single : A 37 SER OG : rot -75:sc= 1.19 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -140:sc= -0.0466 USER MOD Single : A 55 LYS NZ :NH3+ -133:sc= 0.371 (180deg=-0.123!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0327 USER MOD Single : A 59 THR OG1 : rot -12:sc= 0.378 USER MOD Single : A 60 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 150:sc= -0.0577 USER MOD Single : A 74 ASN : amide:sc= -0.0607 K(o=-0.061,f=-3.4!) USER MOD Single : A 77 TYR OH : rot 165:sc= 0.00054 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.181 F(o=-1.8,f=-0.18) USER MOD Single : A 93 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.37) USER MOD Single : A 94 HIS : no HD1:sc=-0.00942 X(o=-0.0094,f=0) USER MOD Single : A 95 TYR OH : rot 67:sc= 0.0182 USER MOD Single : A 96 SER OG : rot 67:sc= 1.27 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -171:sc= 0.0407 (180deg=0.0299) USER MOD Single : A 103 CYS SG : rot -43:sc= 0.481 USER MOD Single : A 104 GLN : amide:sc= -0.132 K(o=-0.13,f=-5.7!) USER MOD Single : A 105 LYS NZ :NH3+ 175:sc= 0.827 (180deg=0.804) USER MOD Single : A 107 THR OG1 : rot 140:sc= -0.0637 USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 -9.089 -1.019 -7.761 1.00 0.00 N ATOM 172 CA LYS A 13 -7.965 -1.867 -8.078 1.00 0.00 C ATOM 173 C LYS A 13 -6.639 -1.148 -8.280 1.00 0.00 C ATOM 174 O LYS A 13 -5.728 -1.455 -7.519 1.00 0.00 O ATOM 175 CB LYS A 13 -8.377 -2.958 -9.064 1.00 0.00 C ATOM 176 CG LYS A 13 -9.462 -3.863 -8.439 1.00 0.00 C ATOM 177 CD LYS A 13 -9.033 -4.490 -7.094 1.00 0.00 C ATOM 178 CE LYS A 13 -9.859 -5.690 -6.634 1.00 0.00 C ATOM 179 NZ LYS A 13 -9.184 -6.959 -6.863 1.00 0.00 N ATOM 0 HA LYS A 13 -7.681 -2.421 -7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.755 -2.505 -9.981 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.508 -3.556 -9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.369 -3.279 -8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.710 -4.659 -9.141 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.990 -4.798 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.081 -3.721 -6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.080 -5.588 -5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.814 -5.691 -7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.872 -7.736 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.757 -6.959 -7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.440 -7.090 -6.149 1.00 0.00 H new ATOM 193 N TRP A 14 -6.471 -0.228 -9.268 1.00 0.00 N ATOM 194 CA TRP A 14 -5.118 0.361 -9.304 1.00 0.00 C ATOM 195 C TRP A 14 -4.866 1.215 -8.055 1.00 0.00 C ATOM 196 O TRP A 14 -3.833 1.089 -7.413 1.00 0.00 O ATOM 197 CB TRP A 14 -4.665 0.969 -10.647 1.00 0.00 C ATOM 198 CG TRP A 14 -4.942 2.433 -10.946 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.694 2.866 -12.043 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.389 3.631 -10.337 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.618 4.216 -12.141 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.830 4.729 -11.118 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.587 3.867 -9.248 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.446 6.003 -10.784 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.219 5.167 -8.910 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.654 6.237 -9.677 1.00 0.00 C ATOM 0 H TRP A 14 -7.153 0.086 -9.959 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.422 -0.477 -9.255 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.588 0.820 -10.725 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -5.126 0.382 -11.441 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.250 2.223 -12.710 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -6.074 4.775 -12.862 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.239 3.038 -8.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.767 6.834 -11.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.593 5.342 -8.048 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.376 7.246 -9.411 1.00 0.00 H new ATOM 217 N PHE A 15 -5.870 2.060 -7.734 1.00 0.00 N ATOM 218 CA PHE A 15 -5.716 2.910 -6.560 1.00 0.00 C ATOM 219 C PHE A 15 -6.234 2.190 -5.301 1.00 0.00 C ATOM 220 O PHE A 15 -7.434 2.015 -5.129 1.00 0.00 O ATOM 221 CB PHE A 15 -6.437 4.250 -6.775 1.00 0.00 C ATOM 222 CG PHE A 15 -6.101 5.228 -5.679 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.787 5.652 -5.508 1.00 0.00 C ATOM 224 CD2 PHE A 15 -7.081 5.711 -4.819 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.454 6.540 -4.497 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.751 6.603 -3.806 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.437 7.019 -3.646 1.00 0.00 C ATOM 0 H PHE A 15 -6.746 2.162 -8.247 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.656 3.118 -6.411 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.153 4.669 -7.740 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.514 4.087 -6.803 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.017 5.285 -6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.105 5.391 -4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.429 6.858 -4.373 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.518 6.973 -3.142 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.181 7.714 -2.860 1.00 0.00 H new ATOM 237 N PHE A 16 -5.260 1.794 -4.444 1.00 0.00 N ATOM 238 CA PHE A 16 -5.575 1.105 -3.191 1.00 0.00 C ATOM 239 C PHE A 16 -5.164 1.965 -1.994 1.00 0.00 C ATOM 240 O PHE A 16 -4.723 3.102 -2.101 1.00 0.00 O ATOM 241 CB PHE A 16 -5.006 -0.348 -3.174 1.00 0.00 C ATOM 242 CG PHE A 16 -6.151 -1.316 -3.288 1.00 0.00 C ATOM 243 CD1 PHE A 16 -7.055 -1.196 -4.339 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.358 -2.296 -2.322 1.00 0.00 C ATOM 245 CE1 PHE A 16 -8.188 -1.985 -4.389 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.509 -3.078 -2.372 1.00 0.00 C ATOM 247 CZ PHE A 16 -8.423 -2.928 -3.406 1.00 0.00 C ATOM 0 H PHE A 16 -4.264 1.943 -4.605 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.654 0.976 -3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.308 -0.490 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.451 -0.526 -2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.869 -0.478 -5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.631 -2.449 -1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.892 -1.865 -5.199 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.693 -3.809 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.310 -3.543 -3.442 1.00 0.00 H new ATOM 257 N ARG A 17 -5.406 1.318 -0.842 1.00 0.00 N ATOM 258 CA ARG A 17 -5.122 1.875 0.469 1.00 0.00 C ATOM 259 C ARG A 17 -4.303 0.861 1.268 1.00 0.00 C ATOM 260 O ARG A 17 -3.880 -0.166 0.754 1.00 0.00 O ATOM 261 CB ARG A 17 -6.451 2.234 1.156 1.00 0.00 C ATOM 262 CG ARG A 17 -6.993 3.571 0.644 1.00 0.00 C ATOM 263 CD ARG A 17 -8.304 3.975 1.320 1.00 0.00 C ATOM 264 NE ARG A 17 -9.399 3.121 0.858 1.00 0.00 N ATOM 265 CZ ARG A 17 -9.931 2.102 1.568 1.00 0.00 C ATOM 266 NH1 ARG A 17 -9.458 1.773 2.764 1.00 0.00 N ATOM 267 NH2 ARG A 17 -10.946 1.414 1.056 1.00 0.00 N ATOM 0 H ARG A 17 -5.810 0.382 -0.806 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.533 2.789 0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.183 1.447 0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.304 2.287 2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.248 4.349 0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.149 3.507 -0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.203 3.894 2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.529 5.018 1.098 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.788 3.308 -0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.677 2.293 3.165 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.875 1.000 3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.315 1.657 0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.356 0.643 1.582 1.00 0.00 H new ATOM 281 N THR A 18 -4.123 1.252 2.540 1.00 0.00 N ATOM 282 CA THR A 18 -3.382 0.566 3.580 1.00 0.00 C ATOM 283 C THR A 18 -4.026 -0.763 3.974 1.00 0.00 C ATOM 284 O THR A 18 -4.668 -0.932 5.002 1.00 0.00 O ATOM 285 CB THR A 18 -3.154 1.441 4.849 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.647 0.734 6.024 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.359 2.395 5.125 1.00 0.00 C ATOM 0 H THR A 18 -4.528 2.124 2.881 1.00 0.00 H new ATOM 0 HA THR A 18 -2.406 0.361 3.140 1.00 0.00 H new ATOM 0 HB THR A 18 -2.309 2.084 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.285 0.826 6.762 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.158 2.986 6.018 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.499 3.061 4.273 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.263 1.805 5.276 1.00 0.00 H new ATOM 295 N ILE A 19 -3.767 -1.669 3.031 1.00 0.00 N ATOM 296 CA ILE A 19 -4.133 -3.069 3.080 1.00 0.00 C ATOM 297 C ILE A 19 -2.831 -3.741 3.510 1.00 0.00 C ATOM 298 O ILE A 19 -1.766 -3.146 3.374 1.00 0.00 O ATOM 299 CB ILE A 19 -4.586 -3.528 1.684 1.00 0.00 C ATOM 300 CG1 ILE A 19 -5.597 -4.669 1.742 1.00 0.00 C ATOM 301 CG2 ILE A 19 -3.446 -3.822 0.705 1.00 0.00 C ATOM 302 CD1 ILE A 19 -5.952 -5.213 0.346 1.00 0.00 C ATOM 0 H ILE A 19 -3.271 -1.426 2.173 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.959 -3.302 3.752 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.096 -2.659 1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.193 -5.477 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.505 -4.321 2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.861 -4.139 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.848 -2.922 0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.816 -4.615 1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.675 -6.023 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.382 -4.414 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.050 -5.588 -0.138 1.00 0.00 H new ATOM 314 N SER A 20 -2.935 -4.975 4.025 1.00 0.00 N ATOM 315 CA SER A 20 -1.677 -5.604 4.438 1.00 0.00 C ATOM 316 C SER A 20 -0.994 -6.215 3.208 1.00 0.00 C ATOM 317 O SER A 20 -1.558 -6.391 2.137 1.00 0.00 O ATOM 318 CB SER A 20 -1.886 -6.659 5.568 1.00 0.00 C ATOM 319 OG SER A 20 -0.755 -7.434 6.154 1.00 0.00 O ATOM 0 H SER A 20 -3.791 -5.514 4.157 1.00 0.00 H new ATOM 0 HA SER A 20 -1.028 -4.839 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.371 -6.140 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.601 -7.388 5.187 1.00 0.00 H new ATOM 0 HG SER A 20 -0.956 -7.651 7.088 1.00 0.00 H new ATOM 325 N ARG A 21 0.281 -6.514 3.464 1.00 0.00 N ATOM 326 CA ARG A 21 1.179 -7.108 2.489 1.00 0.00 C ATOM 327 C ARG A 21 0.555 -8.354 1.826 1.00 0.00 C ATOM 328 O ARG A 21 0.521 -8.454 0.609 1.00 0.00 O ATOM 329 CB ARG A 21 2.507 -7.446 3.192 1.00 0.00 C ATOM 330 CG ARG A 21 3.659 -7.714 2.224 1.00 0.00 C ATOM 331 CD ARG A 21 4.922 -8.181 2.961 1.00 0.00 C ATOM 332 NE ARG A 21 5.880 -8.745 2.017 1.00 0.00 N ATOM 333 CZ ARG A 21 5.700 -9.971 1.484 1.00 0.00 C ATOM 334 NH1 ARG A 21 4.683 -10.730 1.862 1.00 0.00 N ATOM 335 NH2 ARG A 21 6.541 -10.426 0.566 1.00 0.00 N ATOM 0 H ARG A 21 0.719 -6.345 4.370 1.00 0.00 H new ATOM 0 HA ARG A 21 1.364 -6.396 1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.781 -6.621 3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.362 -8.323 3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.358 -8.472 1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.880 -6.807 1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.374 -7.342 3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.659 -8.926 3.711 1.00 0.00 H new ATOM 0 HE ARG A 21 6.702 -8.202 1.755 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.025 -10.389 2.563 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.557 -11.655 1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.325 -9.849 0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.404 -11.353 0.164 1.00 0.00 H new ATOM 349 N LYS A 22 0.032 -9.272 2.673 1.00 0.00 N ATOM 350 CA LYS A 22 -0.557 -10.491 2.103 1.00 0.00 C ATOM 351 C LYS A 22 -1.879 -10.271 1.369 1.00 0.00 C ATOM 352 O LYS A 22 -2.332 -11.117 0.609 1.00 0.00 O ATOM 353 CB LYS A 22 -0.787 -11.599 3.136 1.00 0.00 C ATOM 354 CG LYS A 22 -1.938 -11.397 4.132 1.00 0.00 C ATOM 355 CD LYS A 22 -1.686 -10.212 5.045 1.00 0.00 C ATOM 356 CE LYS A 22 -2.608 -10.163 6.268 1.00 0.00 C ATOM 357 NZ LYS A 22 -4.006 -9.922 5.924 1.00 0.00 N ATOM 0 H LYS A 22 0.007 -9.197 3.690 1.00 0.00 H new ATOM 0 HA LYS A 22 0.202 -10.801 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.964 -12.531 2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.134 -11.728 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.869 -11.245 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.063 -12.299 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.650 -10.241 5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.809 -9.292 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.531 -11.105 6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.266 -9.378 6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.614 -10.561 6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.252 -8.936 6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.149 -10.097 4.909 1.00 0.00 H new ATOM 371 N ASP A 23 -2.467 -9.098 1.655 1.00 0.00 N ATOM 372 CA ASP A 23 -3.759 -8.778 1.083 1.00 0.00 C ATOM 373 C ASP A 23 -3.622 -8.282 -0.344 1.00 0.00 C ATOM 374 O ASP A 23 -4.281 -8.739 -1.260 1.00 0.00 O ATOM 375 CB ASP A 23 -4.484 -7.750 1.956 1.00 0.00 C ATOM 376 CG ASP A 23 -4.899 -8.320 3.321 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.212 -9.510 3.404 1.00 0.00 O ATOM 378 OD2 ASP A 23 -4.908 -7.566 4.291 1.00 0.00 O ATOM 0 H ASP A 23 -2.071 -8.381 2.263 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.356 -9.690 1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.836 -6.887 2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.370 -7.394 1.431 1.00 0.00 H new ATOM 383 N ALA A 24 -2.712 -7.327 -0.484 1.00 0.00 N ATOM 384 CA ALA A 24 -2.461 -6.760 -1.803 1.00 0.00 C ATOM 385 C ALA A 24 -1.842 -7.804 -2.754 1.00 0.00 C ATOM 386 O ALA A 24 -1.991 -7.741 -3.970 1.00 0.00 O ATOM 387 CB ALA A 24 -1.583 -5.537 -1.630 1.00 0.00 C ATOM 0 H ALA A 24 -2.151 -6.938 0.273 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.399 -6.459 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.380 -5.094 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.093 -4.809 -0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.643 -5.827 -1.161 1.00 0.00 H new ATOM 393 N GLU A 25 -1.176 -8.779 -2.101 1.00 0.00 N ATOM 394 CA GLU A 25 -0.550 -9.891 -2.786 1.00 0.00 C ATOM 395 C GLU A 25 -1.624 -10.914 -3.170 1.00 0.00 C ATOM 396 O GLU A 25 -1.491 -11.595 -4.171 1.00 0.00 O ATOM 397 CB GLU A 25 0.460 -10.584 -1.859 1.00 0.00 C ATOM 398 CG GLU A 25 1.796 -9.842 -1.744 1.00 0.00 C ATOM 399 CD GLU A 25 2.772 -10.564 -0.793 1.00 0.00 C ATOM 400 OE1 GLU A 25 2.364 -10.951 0.301 1.00 0.00 O ATOM 401 OE2 GLU A 25 3.935 -10.739 -1.156 1.00 0.00 O ATOM 0 H GLU A 25 -1.066 -8.803 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.039 -9.514 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.021 -10.682 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.645 -11.593 -2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.249 -9.754 -2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.619 -8.829 -1.383 1.00 0.00 H new ATOM 408 N ARG A 26 -2.703 -10.980 -2.349 1.00 0.00 N ATOM 409 CA ARG A 26 -3.770 -11.950 -2.612 1.00 0.00 C ATOM 410 C ARG A 26 -4.427 -11.689 -3.981 1.00 0.00 C ATOM 411 O ARG A 26 -4.800 -12.597 -4.715 1.00 0.00 O ATOM 412 CB ARG A 26 -4.850 -11.914 -1.483 1.00 0.00 C ATOM 413 CG ARG A 26 -6.059 -10.951 -1.651 1.00 0.00 C ATOM 414 CD ARG A 26 -6.669 -10.353 -0.368 1.00 0.00 C ATOM 415 NE ARG A 26 -6.770 -11.323 0.714 1.00 0.00 N ATOM 416 CZ ARG A 26 -7.705 -12.290 0.750 1.00 0.00 C ATOM 417 NH1 ARG A 26 -8.609 -12.415 -0.213 1.00 0.00 N ATOM 418 NH2 ARG A 26 -7.727 -13.133 1.774 1.00 0.00 N ATOM 0 H ARG A 26 -2.846 -10.390 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.318 -12.942 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.243 -12.924 -1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.348 -11.658 -0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.747 -10.127 -2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.846 -11.487 -2.181 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.059 -9.511 -0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.661 -9.960 -0.592 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.100 -11.267 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.605 -11.770 -1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.308 -13.156 -0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.040 -13.044 2.523 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.431 -13.870 1.813 1.00 0.00 H new ATOM 432 N GLN A 27 -4.505 -10.372 -4.254 1.00 0.00 N ATOM 433 CA GLN A 27 -5.142 -9.887 -5.468 1.00 0.00 C ATOM 434 C GLN A 27 -4.276 -10.077 -6.721 1.00 0.00 C ATOM 435 O GLN A 27 -4.749 -10.515 -7.767 1.00 0.00 O ATOM 436 CB GLN A 27 -5.500 -8.395 -5.303 1.00 0.00 C ATOM 437 CG GLN A 27 -6.221 -8.071 -3.979 1.00 0.00 C ATOM 438 CD GLN A 27 -6.938 -6.716 -4.001 1.00 0.00 C ATOM 439 OE1 GLN A 27 -7.268 -6.162 -5.040 1.00 0.00 O ATOM 440 NE2 GLN A 27 -7.165 -6.232 -2.774 1.00 0.00 N ATOM 0 H GLN A 27 -4.135 -9.640 -3.648 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.043 -10.483 -5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.587 -7.803 -5.363 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.134 -8.089 -6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.947 -8.856 -3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.495 -8.078 -3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.858 -6.756 -1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.645 -5.340 -2.659 1.00 0.00 H new ATOM 449 N LEU A 28 -2.978 -9.739 -6.554 1.00 0.00 N ATOM 450 CA LEU A 28 -2.091 -9.809 -7.705 1.00 0.00 C ATOM 451 C LEU A 28 -1.565 -11.217 -8.002 1.00 0.00 C ATOM 452 O LEU A 28 -1.238 -11.507 -9.141 1.00 0.00 O ATOM 453 CB LEU A 28 -1.028 -8.728 -7.600 1.00 0.00 C ATOM 454 CG LEU A 28 -1.686 -7.356 -7.449 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.608 -6.304 -7.242 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.602 -7.007 -8.633 1.00 0.00 C ATOM 0 H LEU A 28 -2.551 -9.433 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.673 -9.594 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.381 -8.925 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.396 -8.741 -8.488 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.335 -7.382 -6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.072 -5.324 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.040 -6.538 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.062 -6.295 -8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.043 -6.023 -8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.019 -6.999 -9.554 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.394 -7.751 -8.712 1.00 0.00 H new ATOM 468 N LEU A 29 -1.515 -12.084 -6.963 1.00 0.00 N ATOM 469 CA LEU A 29 -1.061 -13.451 -7.200 1.00 0.00 C ATOM 470 C LEU A 29 -2.204 -14.280 -7.819 1.00 0.00 C ATOM 471 O LEU A 29 -1.976 -15.368 -8.328 1.00 0.00 O ATOM 472 CB LEU A 29 -0.614 -14.088 -5.886 1.00 0.00 C ATOM 473 CG LEU A 29 0.672 -13.466 -5.326 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.752 -13.766 -3.833 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.915 -13.984 -6.076 1.00 0.00 C ATOM 0 H LEU A 29 -1.773 -11.865 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.217 -13.431 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.411 -13.986 -5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.457 -15.156 -6.041 1.00 0.00 H new ATOM 0 HG LEU A 29 0.648 -12.386 -5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.662 -13.329 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.115 -13.339 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.766 -14.845 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.810 -13.525 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.979 -15.067 -5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.836 -13.726 -7.132 1.00 0.00 H new ATOM 487 N ALA A 30 -3.433 -13.711 -7.761 1.00 0.00 N ATOM 488 CA ALA A 30 -4.577 -14.401 -8.338 1.00 0.00 C ATOM 489 C ALA A 30 -4.369 -14.548 -9.861 1.00 0.00 C ATOM 490 O ALA A 30 -3.834 -13.657 -10.514 1.00 0.00 O ATOM 491 CB ALA A 30 -5.848 -13.586 -8.073 1.00 0.00 C ATOM 0 H ALA A 30 -3.639 -12.808 -7.333 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.676 -15.388 -7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.707 -14.101 -8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.993 -13.477 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.750 -12.600 -8.528 1.00 0.00 H new ATOM 497 N PRO A 31 -4.824 -15.707 -10.413 1.00 0.00 N ATOM 498 CA PRO A 31 -4.707 -15.995 -11.844 1.00 0.00 C ATOM 499 C PRO A 31 -5.606 -15.123 -12.751 1.00 0.00 C ATOM 500 O PRO A 31 -5.676 -15.321 -13.958 1.00 0.00 O ATOM 501 CB PRO A 31 -5.092 -17.476 -11.956 1.00 0.00 C ATOM 502 CG PRO A 31 -5.966 -17.737 -10.731 1.00 0.00 C ATOM 503 CD PRO A 31 -5.430 -16.800 -9.662 1.00 0.00 C ATOM 0 HA PRO A 31 -3.700 -15.769 -12.195 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.634 -17.677 -12.880 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.210 -18.116 -11.958 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.016 -17.534 -10.944 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.900 -18.778 -10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.227 -16.441 -9.011 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.699 -17.299 -9.026 1.00 0.00 H new ATOM 511 N MET A 32 -6.291 -14.160 -12.098 1.00 0.00 N ATOM 512 CA MET A 32 -7.192 -13.230 -12.733 1.00 0.00 C ATOM 513 C MET A 32 -6.494 -12.344 -13.788 1.00 0.00 C ATOM 514 O MET A 32 -7.055 -12.064 -14.840 1.00 0.00 O ATOM 515 CB MET A 32 -7.775 -12.397 -11.591 1.00 0.00 C ATOM 516 CG MET A 32 -8.706 -13.192 -10.666 1.00 0.00 C ATOM 517 SD MET A 32 -9.739 -12.110 -9.656 1.00 0.00 S ATOM 518 CE MET A 32 -8.536 -11.544 -8.439 1.00 0.00 C ATOM 0 H MET A 32 -6.217 -14.021 -11.090 1.00 0.00 H new ATOM 0 HA MET A 32 -7.965 -13.756 -13.293 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.958 -11.982 -11.001 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.325 -11.555 -12.011 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.341 -13.845 -11.265 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.111 -13.834 -10.017 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.926 -10.667 -7.923 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.350 -12.338 -7.715 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.604 -11.285 -8.942 1.00 0.00 H new ATOM 528 N ASN A 33 -5.250 -11.932 -13.441 1.00 0.00 N ATOM 529 CA ASN A 33 -4.456 -11.066 -14.320 1.00 0.00 C ATOM 530 C ASN A 33 -2.994 -11.571 -14.399 1.00 0.00 C ATOM 531 O ASN A 33 -2.714 -12.743 -14.177 1.00 0.00 O ATOM 532 CB ASN A 33 -4.560 -9.615 -13.802 1.00 0.00 C ATOM 533 CG ASN A 33 -5.998 -9.080 -13.871 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.376 -8.396 -14.809 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.774 -9.407 -12.827 1.00 0.00 N ATOM 0 H ASN A 33 -4.787 -12.186 -12.568 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.843 -11.093 -15.339 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.206 -9.572 -12.772 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.906 -8.972 -14.391 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.739 -9.080 -12.787 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.399 -9.983 -12.073 1.00 0.00 H new ATOM 542 N LYS A 34 -2.096 -10.616 -14.735 1.00 0.00 N ATOM 543 CA LYS A 34 -0.663 -10.866 -14.868 1.00 0.00 C ATOM 544 C LYS A 34 0.110 -9.581 -14.600 1.00 0.00 C ATOM 545 O LYS A 34 -0.494 -8.526 -14.482 1.00 0.00 O ATOM 546 CB LYS A 34 -0.350 -11.501 -16.231 1.00 0.00 C ATOM 547 CG LYS A 34 -0.723 -10.642 -17.453 1.00 0.00 C ATOM 548 CD LYS A 34 0.287 -9.534 -17.761 1.00 0.00 C ATOM 549 CE LYS A 34 1.679 -10.047 -18.145 1.00 0.00 C ATOM 550 NZ LYS A 34 2.593 -8.962 -18.486 1.00 0.00 N ATOM 0 H LYS A 34 -2.359 -9.648 -14.920 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.338 -11.590 -14.121 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.716 -11.723 -16.275 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.877 -12.453 -16.301 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.816 -11.289 -18.325 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.701 -10.192 -17.284 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.100 -8.920 -18.575 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.378 -8.887 -16.889 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.093 -10.622 -17.317 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.593 -10.727 -18.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.566 -9.327 -18.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.335 -8.569 -19.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.531 -8.216 -17.764 1.00 0.00 H new ATOM 564 N ALA A 35 1.458 -9.720 -14.535 1.00 0.00 N ATOM 565 CA ALA A 35 2.399 -8.614 -14.323 1.00 0.00 C ATOM 566 C ALA A 35 1.944 -7.345 -15.074 1.00 0.00 C ATOM 567 O ALA A 35 2.094 -7.210 -16.282 1.00 0.00 O ATOM 568 CB ALA A 35 3.790 -9.028 -14.824 1.00 0.00 C ATOM 0 H ALA A 35 1.920 -10.624 -14.631 1.00 0.00 H new ATOM 0 HA ALA A 35 2.432 -8.390 -13.257 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.492 -8.209 -14.668 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.129 -9.906 -14.273 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.738 -9.264 -15.887 1.00 0.00 H new ATOM 574 N GLY A 36 1.372 -6.451 -14.247 1.00 0.00 N ATOM 575 CA GLY A 36 0.822 -5.186 -14.700 1.00 0.00 C ATOM 576 C GLY A 36 -0.426 -4.814 -13.903 1.00 0.00 C ATOM 577 O GLY A 36 -0.776 -3.654 -13.732 1.00 0.00 O ATOM 0 H GLY A 36 1.284 -6.599 -13.242 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.572 -4.402 -14.596 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.575 -5.252 -15.760 1.00 0.00 H new ATOM 581 N SER A 37 -1.064 -5.888 -13.408 1.00 0.00 N ATOM 582 CA SER A 37 -2.182 -5.753 -12.491 1.00 0.00 C ATOM 583 C SER A 37 -1.504 -5.277 -11.193 1.00 0.00 C ATOM 584 O SER A 37 -0.640 -5.965 -10.652 1.00 0.00 O ATOM 585 CB SER A 37 -2.838 -7.151 -12.292 1.00 0.00 C ATOM 586 OG SER A 37 -1.964 -8.351 -12.258 1.00 0.00 O ATOM 0 H SER A 37 -0.817 -6.852 -13.633 1.00 0.00 H new ATOM 0 HA SER A 37 -2.966 -5.075 -12.828 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.398 -7.123 -11.357 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.563 -7.293 -13.093 1.00 0.00 H new ATOM 0 HG SER A 37 -1.659 -8.559 -13.166 1.00 0.00 H new ATOM 592 N PHE A 38 -1.897 -4.045 -10.781 1.00 0.00 N ATOM 593 CA PHE A 38 -1.290 -3.420 -9.605 1.00 0.00 C ATOM 594 C PHE A 38 -2.363 -3.100 -8.512 1.00 0.00 C ATOM 595 O PHE A 38 -3.566 -3.269 -8.675 1.00 0.00 O ATOM 596 CB PHE A 38 -0.602 -2.082 -10.023 1.00 0.00 C ATOM 597 CG PHE A 38 0.726 -2.097 -10.753 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.176 -3.112 -11.587 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.565 -1.001 -10.582 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.408 -3.003 -12.231 1.00 0.00 C ATOM 601 CE2 PHE A 38 2.819 -0.918 -11.161 1.00 0.00 C ATOM 602 CZ PHE A 38 3.239 -1.921 -12.012 1.00 0.00 C ATOM 0 H PHE A 38 -2.615 -3.485 -11.241 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.562 -4.120 -9.194 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.308 -1.539 -10.651 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.464 -1.494 -9.116 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.568 -3.992 -11.738 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.223 -0.179 -9.971 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.719 -3.779 -12.914 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.463 -0.077 -10.949 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.201 -1.861 -12.499 1.00 0.00 H new ATOM 612 N LEU A 39 -1.751 -2.609 -7.404 1.00 0.00 N ATOM 613 CA LEU A 39 -2.253 -2.135 -6.110 1.00 0.00 C ATOM 614 C LEU A 39 -1.406 -0.934 -5.692 1.00 0.00 C ATOM 615 O LEU A 39 -0.206 -1.126 -5.596 1.00 0.00 O ATOM 616 CB LEU A 39 -1.858 -3.143 -5.006 1.00 0.00 C ATOM 617 CG LEU A 39 -2.789 -4.283 -4.643 1.00 0.00 C ATOM 618 CD1 LEU A 39 -3.563 -3.778 -3.433 1.00 0.00 C ATOM 619 CD2 LEU A 39 -3.744 -4.759 -5.717 1.00 0.00 C ATOM 0 H LEU A 39 -0.734 -2.530 -7.414 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.324 -1.959 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.905 -3.585 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.678 -2.571 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.183 -5.171 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.264 -4.545 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.867 -3.550 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.113 -2.876 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.351 -5.576 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.392 -3.936 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.177 -5.108 -6.580 1.00 0.00 H new ATOM 631 N ILE A 40 -1.993 0.253 -5.383 1.00 0.00 N ATOM 632 CA ILE A 40 -1.065 1.312 -4.946 1.00 0.00 C ATOM 633 C ILE A 40 -1.549 1.545 -3.476 1.00 0.00 C ATOM 634 O ILE A 40 -2.367 2.397 -3.171 1.00 0.00 O ATOM 635 CB ILE A 40 -1.137 2.482 -5.978 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.187 3.246 -6.166 1.00 0.00 C ATOM 637 CG2 ILE A 40 -2.086 3.579 -5.518 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.406 3.615 -7.653 1.00 0.00 C ATOM 0 H ILE A 40 -2.986 0.481 -5.421 1.00 0.00 H new ATOM 0 HA ILE A 40 0.007 1.116 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.444 1.974 -6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.178 4.152 -5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.017 2.635 -5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.109 4.375 -6.262 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.088 3.166 -5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.742 3.982 -4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.348 4.154 -7.759 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.439 2.705 -8.253 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.414 4.246 -7.996 1.00 0.00 H new ATOM 650 N ARG A 41 -1.044 0.662 -2.586 1.00 0.00 N ATOM 651 CA ARG A 41 -1.428 0.683 -1.177 1.00 0.00 C ATOM 652 C ARG A 41 -0.733 1.845 -0.447 1.00 0.00 C ATOM 653 O ARG A 41 0.297 2.324 -0.899 1.00 0.00 O ATOM 654 CB ARG A 41 -1.139 -0.711 -0.589 1.00 0.00 C ATOM 655 CG ARG A 41 0.324 -1.045 -0.286 1.00 0.00 C ATOM 656 CD ARG A 41 0.819 -0.490 1.054 1.00 0.00 C ATOM 657 NE ARG A 41 2.068 -1.148 1.405 1.00 0.00 N ATOM 658 CZ ARG A 41 2.781 -0.790 2.490 1.00 0.00 C ATOM 659 NH1 ARG A 41 2.375 0.185 3.295 1.00 0.00 N ATOM 660 NH2 ARG A 41 3.911 -1.428 2.754 1.00 0.00 N ATOM 0 H ARG A 41 -0.373 -0.067 -2.828 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.493 0.877 -1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.709 -0.815 0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.521 -1.458 -1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.448 -2.128 -0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.950 -0.651 -1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.968 0.588 0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.073 -0.659 1.831 1.00 0.00 H new ATOM 0 HE ARG A 41 2.414 -1.902 0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.506 0.681 3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.932 0.438 4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.229 -2.178 2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.463 -1.170 3.572 1.00 0.00 H new ATOM 674 N GLU A 42 -1.335 2.271 0.693 1.00 0.00 N ATOM 675 CA GLU A 42 -0.751 3.387 1.453 1.00 0.00 C ATOM 676 C GLU A 42 -0.035 2.903 2.723 1.00 0.00 C ATOM 677 O GLU A 42 -0.195 1.776 3.176 1.00 0.00 O ATOM 678 CB GLU A 42 -1.793 4.485 1.786 1.00 0.00 C ATOM 679 CG GLU A 42 -2.539 4.316 3.104 1.00 0.00 C ATOM 680 CD GLU A 42 -3.548 5.452 3.354 1.00 0.00 C ATOM 681 OE1 GLU A 42 -3.149 6.473 3.910 1.00 0.00 O ATOM 682 OE2 GLU A 42 -4.719 5.298 3.004 1.00 0.00 O ATOM 0 H GLU A 42 -2.188 1.874 1.087 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.003 3.840 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.285 5.449 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.524 4.522 0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.064 3.361 3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.821 4.284 3.924 1.00 0.00 H new ATOM 689 N SER A 43 0.783 3.847 3.235 1.00 0.00 N ATOM 690 CA SER A 43 1.496 3.661 4.493 1.00 0.00 C ATOM 691 C SER A 43 0.636 4.446 5.500 1.00 0.00 C ATOM 692 O SER A 43 0.552 5.663 5.434 1.00 0.00 O ATOM 693 CB SER A 43 2.940 4.244 4.407 1.00 0.00 C ATOM 694 OG SER A 43 3.809 4.242 5.607 1.00 0.00 O ATOM 0 H SER A 43 0.959 4.746 2.786 1.00 0.00 H new ATOM 0 HA SER A 43 1.622 2.613 4.766 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.465 3.696 3.625 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.854 5.277 4.070 1.00 0.00 H new ATOM 0 HG SER A 43 4.091 5.159 5.808 1.00 0.00 H new ATOM 700 N GLU A 44 -0.014 3.707 6.420 1.00 0.00 N ATOM 701 CA GLU A 44 -0.933 4.329 7.383 1.00 0.00 C ATOM 702 C GLU A 44 -0.278 5.235 8.454 1.00 0.00 C ATOM 703 O GLU A 44 -0.936 5.640 9.405 1.00 0.00 O ATOM 704 CB GLU A 44 -1.819 3.252 8.018 1.00 0.00 C ATOM 705 CG GLU A 44 -1.061 2.043 8.595 1.00 0.00 C ATOM 706 CD GLU A 44 -2.028 0.994 9.179 1.00 0.00 C ATOM 707 OE1 GLU A 44 -2.774 1.325 10.100 1.00 0.00 O ATOM 708 OE2 GLU A 44 -2.021 -0.146 8.711 1.00 0.00 O ATOM 0 H GLU A 44 0.080 2.696 6.514 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.538 5.025 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.405 3.709 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.525 2.895 7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.456 1.585 7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.375 2.380 9.373 1.00 0.00 H new ATOM 715 N SER A 45 1.017 5.546 8.264 1.00 0.00 N ATOM 716 CA SER A 45 1.759 6.400 9.186 1.00 0.00 C ATOM 717 C SER A 45 1.868 7.846 8.667 1.00 0.00 C ATOM 718 O SER A 45 2.025 8.791 9.430 1.00 0.00 O ATOM 719 CB SER A 45 3.200 5.836 9.238 1.00 0.00 C ATOM 720 OG SER A 45 3.914 5.642 7.949 1.00 0.00 O ATOM 0 H SER A 45 1.567 5.212 7.473 1.00 0.00 H new ATOM 0 HA SER A 45 1.251 6.411 10.150 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.799 6.505 9.856 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.165 4.874 9.750 1.00 0.00 H new ATOM 0 HG SER A 45 3.524 4.881 7.470 1.00 0.00 H new ATOM 726 N ASN A 46 1.783 7.953 7.331 1.00 0.00 N ATOM 727 CA ASN A 46 1.922 9.216 6.609 1.00 0.00 C ATOM 728 C ASN A 46 0.676 9.554 5.771 1.00 0.00 C ATOM 729 O ASN A 46 -0.146 8.713 5.432 1.00 0.00 O ATOM 730 CB ASN A 46 3.107 9.084 5.637 1.00 0.00 C ATOM 731 CG ASN A 46 3.105 7.698 5.023 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.974 6.886 5.299 1.00 0.00 O ATOM 733 ND2 ASN A 46 2.075 7.490 4.195 1.00 0.00 N ATOM 0 H ASN A 46 1.614 7.153 6.721 1.00 0.00 H new ATOM 0 HA ASN A 46 2.067 10.005 7.346 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.036 9.840 4.855 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.045 9.258 6.164 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.967 6.588 3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.397 8.234 4.027 1.00 0.00 H new ATOM 740 N LYS A 47 0.625 10.864 5.478 1.00 0.00 N ATOM 741 CA LYS A 47 -0.394 11.473 4.639 1.00 0.00 C ATOM 742 C LYS A 47 0.114 11.730 3.204 1.00 0.00 C ATOM 743 O LYS A 47 0.146 12.866 2.745 1.00 0.00 O ATOM 744 CB LYS A 47 -0.980 12.702 5.334 1.00 0.00 C ATOM 745 CG LYS A 47 0.108 13.579 5.924 1.00 0.00 C ATOM 746 CD LYS A 47 0.322 13.266 7.414 1.00 0.00 C ATOM 747 CE LYS A 47 1.793 13.287 7.802 1.00 0.00 C ATOM 748 NZ LYS A 47 2.387 14.616 7.713 1.00 0.00 N ATOM 0 H LYS A 47 1.309 11.534 5.830 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.217 10.771 4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.567 13.280 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.661 12.385 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.039 13.425 5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.161 14.628 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.221 13.993 8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.098 12.286 7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.900 12.915 8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.344 12.605 7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.389 14.568 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.313 14.964 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.883 15.265 8.351 1.00 0.00 H new ATOM 762 N GLY A 48 0.523 10.622 2.539 1.00 0.00 N ATOM 763 CA GLY A 48 1.005 10.762 1.162 1.00 0.00 C ATOM 764 C GLY A 48 1.993 9.692 0.695 1.00 0.00 C ATOM 765 O GLY A 48 2.298 9.604 -0.488 1.00 0.00 O ATOM 0 H GLY A 48 0.527 9.674 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.145 10.754 0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.479 11.738 1.060 1.00 0.00 H new ATOM 769 N ALA A 49 2.477 8.882 1.655 1.00 0.00 N ATOM 770 CA ALA A 49 3.441 7.833 1.281 1.00 0.00 C ATOM 771 C ALA A 49 2.704 6.532 0.947 1.00 0.00 C ATOM 772 O ALA A 49 2.085 5.911 1.798 1.00 0.00 O ATOM 773 CB ALA A 49 4.513 7.584 2.365 1.00 0.00 C ATOM 0 H ALA A 49 2.233 8.927 2.644 1.00 0.00 H new ATOM 0 HA ALA A 49 3.970 8.190 0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.193 6.801 2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.074 8.502 2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.029 7.273 3.291 1.00 0.00 H new ATOM 779 N PHE A 50 2.798 6.177 -0.349 1.00 0.00 N ATOM 780 CA PHE A 50 2.177 4.959 -0.845 1.00 0.00 C ATOM 781 C PHE A 50 3.276 3.881 -0.978 1.00 0.00 C ATOM 782 O PHE A 50 4.373 3.989 -0.445 1.00 0.00 O ATOM 783 CB PHE A 50 1.328 5.251 -2.120 1.00 0.00 C ATOM 784 CG PHE A 50 0.002 5.890 -1.783 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.074 7.179 -1.268 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.181 5.195 -1.996 1.00 0.00 C ATOM 787 CE1 PHE A 50 -1.301 7.764 -0.983 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.412 5.772 -1.719 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.474 7.063 -1.215 1.00 0.00 C ATOM 0 H PHE A 50 3.295 6.718 -1.056 1.00 0.00 H new ATOM 0 HA PHE A 50 1.442 4.554 -0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.888 5.908 -2.786 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.155 4.321 -2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.835 7.734 -1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.142 4.188 -2.384 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.341 8.765 -0.580 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.321 5.217 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.430 7.519 -1.005 1.00 0.00 H new ATOM 799 N SER A 51 2.881 2.836 -1.716 1.00 0.00 N ATOM 800 CA SER A 51 3.678 1.671 -2.062 1.00 0.00 C ATOM 801 C SER A 51 2.993 1.056 -3.278 1.00 0.00 C ATOM 802 O SER A 51 1.899 1.486 -3.617 1.00 0.00 O ATOM 803 CB SER A 51 3.773 0.725 -0.832 1.00 0.00 C ATOM 804 OG SER A 51 3.902 1.318 0.526 1.00 0.00 O ATOM 0 H SER A 51 1.940 2.786 -2.106 1.00 0.00 H new ATOM 0 HA SER A 51 4.712 1.903 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.884 0.094 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.629 0.069 -0.987 1.00 0.00 H new ATOM 0 HG SER A 51 4.536 0.790 1.055 1.00 0.00 H new ATOM 810 N LEU A 52 3.629 0.059 -3.924 1.00 0.00 N ATOM 811 CA LEU A 52 2.959 -0.445 -5.125 1.00 0.00 C ATOM 812 C LEU A 52 3.338 -1.903 -5.418 1.00 0.00 C ATOM 813 O LEU A 52 4.493 -2.262 -5.613 1.00 0.00 O ATOM 814 CB LEU A 52 3.393 0.540 -6.240 1.00 0.00 C ATOM 815 CG LEU A 52 2.801 0.344 -7.643 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.281 0.225 -7.560 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.207 1.515 -8.556 1.00 0.00 C ATOM 0 H LEU A 52 4.516 -0.374 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 52 1.874 -0.478 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.144 1.549 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.479 0.491 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 52 3.195 -0.578 -8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.872 0.086 -8.561 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.016 -0.630 -6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.868 1.134 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.782 1.367 -9.549 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.833 2.449 -8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.294 1.559 -8.629 1.00 0.00 H new ATOM 829 N SER A 53 2.253 -2.704 -5.440 1.00 0.00 N ATOM 830 CA SER A 53 2.330 -4.129 -5.681 1.00 0.00 C ATOM 831 C SER A 53 1.991 -4.397 -7.129 1.00 0.00 C ATOM 832 O SER A 53 1.135 -3.766 -7.727 1.00 0.00 O ATOM 833 CB SER A 53 1.424 -4.891 -4.660 1.00 0.00 C ATOM 834 OG SER A 53 1.208 -4.320 -3.308 1.00 0.00 O ATOM 0 H SER A 53 1.303 -2.364 -5.289 1.00 0.00 H new ATOM 0 HA SER A 53 3.340 -4.506 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.445 -5.016 -5.122 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.845 -5.888 -4.530 1.00 0.00 H new ATOM 0 HG SER A 53 0.905 -5.026 -2.699 1.00 0.00 H new ATOM 840 N VAL A 54 2.762 -5.375 -7.629 1.00 0.00 N ATOM 841 CA VAL A 54 2.634 -5.825 -9.018 1.00 0.00 C ATOM 842 C VAL A 54 2.970 -7.292 -9.007 1.00 0.00 C ATOM 843 O VAL A 54 3.879 -7.649 -8.280 1.00 0.00 O ATOM 844 CB VAL A 54 3.667 -5.151 -9.930 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.527 -5.560 -11.406 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.761 -3.663 -9.616 1.00 0.00 C ATOM 0 H VAL A 54 3.477 -5.866 -7.092 1.00 0.00 H new ATOM 0 HA VAL A 54 1.634 -5.593 -9.384 1.00 0.00 H new ATOM 0 HB VAL A 54 4.662 -5.535 -9.705 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.286 -5.049 -11.999 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.659 -6.638 -11.499 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.537 -5.283 -11.768 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.498 -3.199 -10.271 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.789 -3.196 -9.774 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.063 -3.529 -8.577 1.00 0.00 H new ATOM 856 N LYS A 55 2.294 -8.098 -9.855 1.00 0.00 N ATOM 857 CA LYS A 55 2.614 -9.529 -9.838 1.00 0.00 C ATOM 858 C LYS A 55 3.910 -9.770 -10.640 1.00 0.00 C ATOM 859 O LYS A 55 3.837 -9.884 -11.855 1.00 0.00 O ATOM 860 CB LYS A 55 1.465 -10.260 -10.550 1.00 0.00 C ATOM 861 CG LYS A 55 1.584 -11.794 -10.552 1.00 0.00 C ATOM 862 CD LYS A 55 0.939 -12.431 -11.790 1.00 0.00 C ATOM 863 CE LYS A 55 -0.577 -12.627 -11.739 1.00 0.00 C ATOM 864 NZ LYS A 55 -0.979 -13.615 -10.752 1.00 0.00 N ATOM 0 H LYS A 55 1.573 -7.804 -10.514 1.00 0.00 H new ATOM 0 HA LYS A 55 2.744 -9.883 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.525 -9.982 -10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.414 -9.911 -11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.637 -12.074 -10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.112 -12.193 -9.654 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.175 -11.812 -12.656 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.404 -13.403 -11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.055 -11.675 -11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.933 -12.935 -12.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.666 -14.270 -11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.144 -14.147 -10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.415 -13.136 -9.939 1.00 0.00 H new ATOM 878 N ASP A 56 5.095 -9.833 -9.956 1.00 0.00 N ATOM 879 CA ASP A 56 6.283 -10.041 -10.795 1.00 0.00 C ATOM 880 C ASP A 56 6.432 -11.527 -11.182 1.00 0.00 C ATOM 881 O ASP A 56 6.531 -12.410 -10.345 1.00 0.00 O ATOM 882 CB ASP A 56 7.525 -9.378 -10.186 1.00 0.00 C ATOM 883 CG ASP A 56 8.791 -9.597 -11.036 1.00 0.00 C ATOM 884 OD1 ASP A 56 9.387 -10.669 -10.939 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.174 -8.681 -11.764 1.00 0.00 O ATOM 0 H ASP A 56 5.235 -9.752 -8.949 1.00 0.00 H new ATOM 0 HA ASP A 56 6.154 -9.525 -11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.345 -8.308 -10.078 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.691 -9.776 -9.185 1.00 0.00 H new ATOM 890 N ILE A 57 6.425 -11.732 -12.518 1.00 0.00 N ATOM 891 CA ILE A 57 6.564 -13.083 -13.060 1.00 0.00 C ATOM 892 C ILE A 57 8.056 -13.469 -13.036 1.00 0.00 C ATOM 893 O ILE A 57 8.918 -12.709 -13.457 1.00 0.00 O ATOM 894 CB ILE A 57 6.001 -13.148 -14.495 1.00 0.00 C ATOM 895 CG1 ILE A 57 4.530 -12.742 -14.618 1.00 0.00 C ATOM 896 CG2 ILE A 57 6.189 -14.517 -15.151 1.00 0.00 C ATOM 897 CD1 ILE A 57 3.721 -13.101 -13.420 1.00 0.00 C ATOM 0 H ILE A 57 6.327 -10.995 -13.216 1.00 0.00 H new ATOM 0 HA ILE A 57 5.997 -13.788 -12.453 1.00 0.00 H new ATOM 0 HB ILE A 57 6.598 -12.407 -15.026 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.469 -11.666 -14.781 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.099 -13.222 -15.497 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.772 -14.498 -16.158 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.252 -14.753 -15.202 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.677 -15.277 -14.561 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.688 -12.786 -13.571 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.753 -14.180 -13.269 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.129 -12.600 -12.542 1.00 0.00 H new ATOM 909 N THR A 58 8.297 -14.696 -12.525 1.00 0.00 N ATOM 910 CA THR A 58 9.673 -15.180 -12.412 1.00 0.00 C ATOM 911 C THR A 58 9.728 -16.715 -12.430 1.00 0.00 C ATOM 912 O THR A 58 8.730 -17.404 -12.259 1.00 0.00 O ATOM 913 CB THR A 58 10.291 -14.682 -11.067 1.00 0.00 C ATOM 914 OG1 THR A 58 11.670 -15.082 -10.786 1.00 0.00 O ATOM 915 CG2 THR A 58 9.317 -14.909 -9.868 1.00 0.00 C ATOM 0 H THR A 58 7.580 -15.343 -12.197 1.00 0.00 H new ATOM 0 HA THR A 58 10.234 -14.795 -13.263 1.00 0.00 H new ATOM 0 HB THR A 58 10.403 -13.607 -11.211 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.948 -14.712 -9.922 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.781 -14.550 -8.949 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.390 -14.363 -10.044 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.099 -15.973 -9.773 1.00 0.00 H new ATOM 923 N THR A 59 10.984 -17.198 -12.625 1.00 0.00 N ATOM 924 CA THR A 59 11.245 -18.639 -12.658 1.00 0.00 C ATOM 925 C THR A 59 11.213 -19.262 -11.251 1.00 0.00 C ATOM 926 O THR A 59 11.191 -20.480 -11.119 1.00 0.00 O ATOM 927 CB THR A 59 12.570 -19.057 -13.378 1.00 0.00 C ATOM 928 OG1 THR A 59 12.998 -20.452 -13.221 1.00 0.00 O ATOM 929 CG2 THR A 59 13.739 -18.052 -13.160 1.00 0.00 C ATOM 0 H THR A 59 11.809 -16.613 -12.758 1.00 0.00 H new ATOM 0 HA THR A 59 10.426 -19.033 -13.260 1.00 0.00 H new ATOM 0 HB THR A 59 12.280 -19.001 -14.427 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.471 -20.878 -12.513 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.625 -18.405 -13.687 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.454 -17.073 -13.545 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.958 -17.974 -12.095 1.00 0.00 H new ATOM 937 N GLN A 60 11.204 -18.396 -10.207 1.00 0.00 N ATOM 938 CA GLN A 60 11.139 -18.927 -8.840 1.00 0.00 C ATOM 939 C GLN A 60 9.669 -19.083 -8.382 1.00 0.00 C ATOM 940 O GLN A 60 9.390 -19.328 -7.215 1.00 0.00 O ATOM 941 CB GLN A 60 11.928 -18.053 -7.855 1.00 0.00 C ATOM 942 CG GLN A 60 13.440 -17.988 -8.175 1.00 0.00 C ATOM 943 CD GLN A 60 14.301 -18.802 -7.191 1.00 0.00 C ATOM 944 OE1 GLN A 60 15.279 -18.310 -6.644 1.00 0.00 O ATOM 945 NE2 GLN A 60 13.886 -20.064 -6.999 1.00 0.00 N ATOM 0 H GLN A 60 11.239 -17.380 -10.284 1.00 0.00 H new ATOM 0 HA GLN A 60 11.604 -19.913 -8.848 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.517 -17.043 -7.865 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.793 -18.442 -6.846 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.607 -18.358 -9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.765 -16.948 -8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.061 -20.410 -7.489 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.396 -20.677 -6.363 1.00 0.00 H new ATOM 954 N GLY A 61 8.758 -18.929 -9.375 1.00 0.00 N ATOM 955 CA GLY A 61 7.329 -19.029 -9.137 1.00 0.00 C ATOM 956 C GLY A 61 6.756 -17.647 -8.836 1.00 0.00 C ATOM 957 O GLY A 61 7.221 -16.959 -7.938 1.00 0.00 O ATOM 0 H GLY A 61 9.007 -18.735 -10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.835 -19.455 -10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.137 -19.702 -8.302 1.00 0.00 H new ATOM 961 N GLU A 62 5.734 -17.312 -9.653 1.00 0.00 N ATOM 962 CA GLU A 62 4.951 -16.072 -9.659 1.00 0.00 C ATOM 963 C GLU A 62 4.955 -15.367 -8.284 1.00 0.00 C ATOM 964 O GLU A 62 4.568 -15.952 -7.279 1.00 0.00 O ATOM 965 CB GLU A 62 3.512 -16.465 -10.034 1.00 0.00 C ATOM 966 CG GLU A 62 2.751 -15.366 -10.780 1.00 0.00 C ATOM 967 CD GLU A 62 1.310 -15.823 -11.049 1.00 0.00 C ATOM 968 OE1 GLU A 62 0.529 -15.907 -10.103 1.00 0.00 O ATOM 969 OE2 GLU A 62 0.973 -16.071 -12.204 1.00 0.00 O ATOM 0 H GLU A 62 5.416 -17.955 -10.378 1.00 0.00 H new ATOM 0 HA GLU A 62 5.386 -15.368 -10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.539 -17.361 -10.654 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.966 -16.721 -9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.748 -14.449 -10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.252 -15.138 -11.721 1.00 0.00 H new ATOM 976 N VAL A 63 5.411 -14.097 -8.295 1.00 0.00 N ATOM 977 CA VAL A 63 5.473 -13.310 -7.070 1.00 0.00 C ATOM 978 C VAL A 63 4.655 -12.035 -7.303 1.00 0.00 C ATOM 979 O VAL A 63 3.847 -11.936 -8.219 1.00 0.00 O ATOM 980 CB VAL A 63 6.950 -12.986 -6.708 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.800 -14.249 -6.555 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.631 -12.001 -7.685 1.00 0.00 C ATOM 0 H VAL A 63 5.735 -13.610 -9.131 1.00 0.00 H new ATOM 0 HA VAL A 63 5.059 -13.864 -6.228 1.00 0.00 H new ATOM 0 HB VAL A 63 6.892 -12.485 -5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.823 -13.971 -6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.387 -14.872 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.796 -14.806 -7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.658 -11.824 -7.366 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.630 -12.425 -8.689 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.085 -11.057 -7.690 1.00 0.00 H new ATOM 992 N VAL A 64 4.953 -11.086 -6.400 1.00 0.00 N ATOM 993 CA VAL A 64 4.420 -9.740 -6.370 1.00 0.00 C ATOM 994 C VAL A 64 5.682 -8.838 -6.200 1.00 0.00 C ATOM 995 O VAL A 64 6.774 -9.290 -6.495 1.00 0.00 O ATOM 996 CB VAL A 64 3.200 -9.699 -5.404 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.778 -8.329 -4.885 1.00 0.00 C ATOM 998 CG2 VAL A 64 1.956 -10.188 -6.146 1.00 0.00 C ATOM 0 H VAL A 64 5.608 -11.260 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 64 3.929 -9.334 -7.255 1.00 0.00 H new ATOM 0 HB VAL A 64 3.537 -10.306 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.919 -8.439 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.604 -7.878 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.509 -7.689 -5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.098 -10.162 -5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.766 -9.542 -7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.116 -11.210 -6.490 1.00 0.00 H new ATOM 1008 N LYS A 65 5.465 -7.584 -5.786 1.00 0.00 N ATOM 1009 CA LYS A 65 6.331 -6.448 -5.434 1.00 0.00 C ATOM 1010 C LYS A 65 5.604 -5.517 -4.497 1.00 0.00 C ATOM 1011 O LYS A 65 4.418 -5.656 -4.246 1.00 0.00 O ATOM 1012 CB LYS A 65 7.049 -5.626 -6.532 1.00 0.00 C ATOM 1013 CG LYS A 65 8.458 -6.103 -6.894 1.00 0.00 C ATOM 1014 CD LYS A 65 8.528 -7.258 -7.854 1.00 0.00 C ATOM 1015 CE LYS A 65 9.720 -7.168 -8.818 1.00 0.00 C ATOM 1016 NZ LYS A 65 9.497 -6.309 -9.977 1.00 0.00 N ATOM 0 H LYS A 65 4.494 -7.293 -5.670 1.00 0.00 H new ATOM 0 HA LYS A 65 7.173 -6.970 -4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.436 -5.642 -7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.108 -4.588 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.007 -5.264 -7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.973 -6.386 -5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.594 -8.188 -7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.604 -7.300 -8.431 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.587 -6.800 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.966 -8.171 -9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.398 -5.881 -10.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.112 -6.875 -10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.822 -5.558 -9.728 1.00 0.00 H new ATOM 1030 N HIS A 66 6.453 -4.594 -4.002 1.00 0.00 N ATOM 1031 CA HIS A 66 6.105 -3.526 -3.086 1.00 0.00 C ATOM 1032 C HIS A 66 7.175 -2.413 -3.186 1.00 0.00 C ATOM 1033 O HIS A 66 8.149 -2.403 -2.441 1.00 0.00 O ATOM 1034 CB HIS A 66 6.132 -4.060 -1.640 1.00 0.00 C ATOM 1035 CG HIS A 66 4.992 -5.002 -1.325 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.032 -6.331 -1.558 1.00 0.00 N ATOM 1037 CD2 HIS A 66 3.745 -4.690 -0.758 1.00 0.00 C ATOM 1038 CE1 HIS A 66 3.846 -6.811 -1.156 1.00 0.00 C ATOM 1039 NE2 HIS A 66 3.046 -5.845 -0.668 1.00 0.00 N ATOM 0 H HIS A 66 7.442 -4.586 -4.251 1.00 0.00 H new ATOM 0 HA HIS A 66 5.115 -3.146 -3.338 1.00 0.00 H new ATOM 0 HB2 HIS A 66 7.077 -4.575 -1.469 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.099 -3.218 -0.949 1.00 0.00 H new ATOM 0 HD2 HIS A 66 3.407 -3.711 -0.451 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.565 -7.852 -1.217 1.00 0.00 H new ATOM 0 HE2 HIS A 66 2.101 -5.961 -0.303 1.00 0.00 H new ATOM 1047 N TYR A 67 6.943 -1.477 -4.130 1.00 0.00 N ATOM 1048 CA TYR A 67 7.873 -0.359 -4.304 1.00 0.00 C ATOM 1049 C TYR A 67 7.524 0.719 -3.258 1.00 0.00 C ATOM 1050 O TYR A 67 6.566 0.577 -2.509 1.00 0.00 O ATOM 1051 CB TYR A 67 7.770 0.218 -5.721 1.00 0.00 C ATOM 1052 CG TYR A 67 7.863 -0.826 -6.802 1.00 0.00 C ATOM 1053 CD1 TYR A 67 9.071 -1.405 -7.166 1.00 0.00 C ATOM 1054 CD2 TYR A 67 6.721 -1.190 -7.487 1.00 0.00 C ATOM 1055 CE1 TYR A 67 9.132 -2.314 -8.220 1.00 0.00 C ATOM 1056 CE2 TYR A 67 6.766 -2.069 -8.554 1.00 0.00 C ATOM 1057 CZ TYR A 67 7.983 -2.653 -8.940 1.00 0.00 C ATOM 1058 OH TYR A 67 8.122 -3.494 -10.044 1.00 0.00 O ATOM 0 H TYR A 67 6.143 -1.476 -4.763 1.00 0.00 H new ATOM 0 HA TYR A 67 8.898 -0.703 -4.164 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.824 0.750 -5.821 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.564 0.951 -5.865 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.971 -1.149 -6.627 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.770 -0.779 -7.183 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.079 -2.762 -8.484 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.861 -2.307 -9.093 1.00 0.00 H new ATOM 0 HH TYR A 67 7.244 -3.648 -10.451 1.00 0.00 H new ATOM 1068 N LYS A 68 8.339 1.797 -3.259 1.00 0.00 N ATOM 1069 CA LYS A 68 8.149 2.891 -2.314 1.00 0.00 C ATOM 1070 C LYS A 68 8.036 4.270 -3.001 1.00 0.00 C ATOM 1071 O LYS A 68 8.996 4.904 -3.418 1.00 0.00 O ATOM 1072 CB LYS A 68 9.180 2.815 -1.192 1.00 0.00 C ATOM 1073 CG LYS A 68 10.629 2.928 -1.633 1.00 0.00 C ATOM 1074 CD LYS A 68 11.171 1.650 -2.290 1.00 0.00 C ATOM 1075 CE LYS A 68 12.683 1.483 -2.122 1.00 0.00 C ATOM 1076 NZ LYS A 68 13.441 2.526 -2.804 1.00 0.00 N ATOM 0 H LYS A 68 9.122 1.922 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 68 7.176 2.768 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.972 3.610 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.050 1.870 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.723 3.756 -2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.246 3.172 -0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.666 0.785 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.929 1.664 -3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.930 1.494 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.983 0.509 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.458 2.367 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.228 2.501 -3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.178 3.455 -2.418 1.00 0.00 H new ATOM 1090 N ILE A 69 6.750 4.661 -3.065 1.00 0.00 N ATOM 1091 CA ILE A 69 6.260 5.933 -3.591 1.00 0.00 C ATOM 1092 C ILE A 69 6.108 6.951 -2.457 1.00 0.00 C ATOM 1093 O ILE A 69 5.230 6.833 -1.613 1.00 0.00 O ATOM 1094 CB ILE A 69 5.003 5.822 -4.473 1.00 0.00 C ATOM 1095 CG1 ILE A 69 4.123 4.640 -4.100 1.00 0.00 C ATOM 1096 CG2 ILE A 69 5.150 6.100 -5.973 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.081 4.344 -5.149 1.00 0.00 C ATOM 0 H ILE A 69 5.993 4.064 -2.733 1.00 0.00 H new ATOM 0 HA ILE A 69 7.020 6.297 -4.282 1.00 0.00 H new ATOM 0 HB ILE A 69 4.436 6.712 -4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.747 3.758 -3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.630 4.844 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.183 5.983 -6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.510 7.118 -6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.862 5.397 -6.405 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.479 3.491 -4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.437 5.214 -5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.572 4.112 -6.094 1.00 0.00 H new ATOM 1109 N ARG A 70 7.016 7.946 -2.486 1.00 0.00 N ATOM 1110 CA ARG A 70 6.947 9.011 -1.492 1.00 0.00 C ATOM 1111 C ARG A 70 5.959 10.053 -2.034 1.00 0.00 C ATOM 1112 O ARG A 70 5.317 9.848 -3.056 1.00 0.00 O ATOM 1113 CB ARG A 70 8.342 9.605 -1.221 1.00 0.00 C ATOM 1114 CG ARG A 70 9.212 8.715 -0.326 1.00 0.00 C ATOM 1115 CD ARG A 70 9.794 7.550 -1.107 1.00 0.00 C ATOM 1116 NE ARG A 70 10.856 6.876 -0.363 1.00 0.00 N ATOM 1117 CZ ARG A 70 10.619 6.029 0.661 1.00 0.00 C ATOM 1118 NH1 ARG A 70 9.385 5.750 1.064 1.00 0.00 N ATOM 1119 NH2 ARG A 70 11.643 5.463 1.283 1.00 0.00 N ATOM 0 H ARG A 70 7.775 8.027 -3.163 1.00 0.00 H new ATOM 0 HA ARG A 70 6.600 8.636 -0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.853 9.765 -2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.229 10.582 -0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.020 9.307 0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.616 8.337 0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.003 6.837 -1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.188 7.910 -2.058 1.00 0.00 H new ATOM 0 HE ARG A 70 11.824 7.054 -0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.587 6.180 0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.236 5.106 1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.597 5.669 0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.477 4.821 2.058 1.00 0.00 H new ATOM 1133 N SER A 71 5.895 11.165 -1.290 1.00 0.00 N ATOM 1134 CA SER A 71 5.000 12.246 -1.634 1.00 0.00 C ATOM 1135 C SER A 71 5.752 13.575 -1.596 1.00 0.00 C ATOM 1136 O SER A 71 6.331 13.956 -0.587 1.00 0.00 O ATOM 1137 CB SER A 71 3.886 12.224 -0.558 1.00 0.00 C ATOM 1138 OG SER A 71 4.225 11.737 0.807 1.00 0.00 O ATOM 0 H SER A 71 6.455 11.327 -0.453 1.00 0.00 H new ATOM 0 HA SER A 71 4.589 12.133 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.499 13.238 -0.461 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.071 11.607 -0.937 1.00 0.00 H new ATOM 0 HG SER A 71 3.659 12.191 1.466 1.00 0.00 H new ATOM 1144 N LEU A 72 5.686 14.249 -2.764 1.00 0.00 N ATOM 1145 CA LEU A 72 6.319 15.535 -2.968 1.00 0.00 C ATOM 1146 C LEU A 72 5.243 16.582 -3.221 1.00 0.00 C ATOM 1147 O LEU A 72 4.351 16.427 -4.045 1.00 0.00 O ATOM 1148 CB LEU A 72 7.300 15.456 -4.142 1.00 0.00 C ATOM 1149 CG LEU A 72 8.046 14.134 -4.212 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.679 13.766 -2.862 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.193 13.045 -4.891 1.00 0.00 C ATOM 0 H LEU A 72 5.187 13.902 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 72 6.884 15.818 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.755 15.608 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.022 16.269 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 72 8.907 14.238 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.203 12.815 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.385 14.542 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.899 13.679 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.755 12.112 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.275 12.895 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.945 13.357 -5.906 1.00 0.00 H new ATOM 1163 N ASP A 73 5.425 17.658 -2.441 1.00 0.00 N ATOM 1164 CA ASP A 73 4.532 18.811 -2.495 1.00 0.00 C ATOM 1165 C ASP A 73 4.548 19.503 -3.871 1.00 0.00 C ATOM 1166 O ASP A 73 3.583 20.137 -4.280 1.00 0.00 O ATOM 1167 CB ASP A 73 4.941 19.840 -1.428 1.00 0.00 C ATOM 1168 CG ASP A 73 6.439 20.208 -1.501 1.00 0.00 C ATOM 1169 OD1 ASP A 73 7.250 19.492 -0.914 1.00 0.00 O ATOM 1170 OD2 ASP A 73 6.774 21.201 -2.147 1.00 0.00 O ATOM 0 H ASP A 73 6.185 17.748 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 73 3.524 18.438 -2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.343 20.743 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.717 19.441 -0.439 1.00 0.00 H new ATOM 1175 N ASN A 74 5.704 19.326 -4.541 1.00 0.00 N ATOM 1176 CA ASN A 74 5.941 19.927 -5.844 1.00 0.00 C ATOM 1177 C ASN A 74 6.252 18.890 -6.943 1.00 0.00 C ATOM 1178 O ASN A 74 6.604 19.251 -8.060 1.00 0.00 O ATOM 1179 CB ASN A 74 7.113 20.910 -5.691 1.00 0.00 C ATOM 1180 CG ASN A 74 8.391 20.251 -5.133 1.00 0.00 C ATOM 1181 OD1 ASN A 74 8.522 19.037 -5.040 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.324 21.145 -4.771 1.00 0.00 N ATOM 0 H ASN A 74 6.482 18.768 -4.190 1.00 0.00 H new ATOM 0 HA ASN A 74 5.031 20.434 -6.166 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.335 21.354 -6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.813 21.723 -5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.214 20.826 -4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.143 22.143 -4.878 1.00 0.00 H new ATOM 1189 N GLY A 75 6.108 17.598 -6.579 1.00 0.00 N ATOM 1190 CA GLY A 75 6.416 16.551 -7.555 1.00 0.00 C ATOM 1191 C GLY A 75 5.575 15.276 -7.469 1.00 0.00 C ATOM 1192 O GLY A 75 5.930 14.265 -8.051 1.00 0.00 O ATOM 0 H GLY A 75 5.797 17.273 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.301 16.970 -8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.465 16.277 -7.443 1.00 0.00 H new ATOM 1196 N GLY A 76 4.463 15.374 -6.725 1.00 0.00 N ATOM 1197 CA GLY A 76 3.511 14.279 -6.577 1.00 0.00 C ATOM 1198 C GLY A 76 3.999 13.018 -5.857 1.00 0.00 C ATOM 1199 O GLY A 76 3.838 12.882 -4.653 1.00 0.00 O ATOM 0 H GLY A 76 4.205 16.217 -6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.641 14.658 -6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.172 13.990 -7.572 1.00 0.00 H new ATOM 1203 N TYR A 77 4.578 12.098 -6.674 1.00 0.00 N ATOM 1204 CA TYR A 77 5.068 10.816 -6.166 1.00 0.00 C ATOM 1205 C TYR A 77 6.317 10.388 -6.925 1.00 0.00 C ATOM 1206 O TYR A 77 6.452 10.604 -8.122 1.00 0.00 O ATOM 1207 CB TYR A 77 4.047 9.674 -6.380 1.00 0.00 C ATOM 1208 CG TYR A 77 2.766 9.891 -5.639 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.757 10.663 -6.190 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.569 9.301 -4.406 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.548 10.846 -5.536 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.375 9.476 -3.726 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.336 10.224 -4.296 1.00 0.00 C ATOM 1214 OH TYR A 77 -0.887 10.329 -3.644 1.00 0.00 O ATOM 0 H TYR A 77 4.710 12.231 -7.677 1.00 0.00 H new ATOM 0 HA TYR A 77 5.257 10.971 -5.104 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.833 9.580 -7.445 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.491 8.732 -6.059 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.915 11.133 -7.150 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.352 8.699 -3.969 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.223 11.461 -5.977 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.244 9.033 -2.750 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.939 9.655 -2.935 1.00 0.00 H new ATOM 1224 N TYR A 78 7.205 9.734 -6.142 1.00 0.00 N ATOM 1225 CA TYR A 78 8.440 9.209 -6.745 1.00 0.00 C ATOM 1226 C TYR A 78 8.797 7.828 -6.153 1.00 0.00 C ATOM 1227 O TYR A 78 8.743 7.610 -4.949 1.00 0.00 O ATOM 1228 CB TYR A 78 9.619 10.207 -6.683 1.00 0.00 C ATOM 1229 CG TYR A 78 10.409 10.219 -5.396 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.344 9.224 -5.140 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.233 11.214 -4.444 1.00 0.00 C ATOM 1232 CE1 TYR A 78 12.067 9.185 -3.962 1.00 0.00 C ATOM 1233 CE2 TYR A 78 10.951 11.195 -3.256 1.00 0.00 C ATOM 1234 CZ TYR A 78 11.882 10.180 -3.001 1.00 0.00 C ATOM 1235 OH TYR A 78 12.593 10.139 -1.808 1.00 0.00 O ATOM 0 H TYR A 78 7.096 9.565 -5.142 1.00 0.00 H new ATOM 0 HA TYR A 78 8.243 9.071 -7.808 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.302 9.984 -7.503 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.230 11.210 -6.856 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.511 8.458 -5.883 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.529 12.012 -4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.773 8.387 -3.786 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.790 11.970 -2.521 1.00 0.00 H new ATOM 0 HH TYR A 78 12.345 10.907 -1.253 1.00 0.00 H new ATOM 1245 N ILE A 79 9.175 6.939 -7.096 1.00 0.00 N ATOM 1246 CA ILE A 79 9.613 5.548 -6.862 1.00 0.00 C ATOM 1247 C ILE A 79 11.110 5.368 -7.184 1.00 0.00 C ATOM 1248 O ILE A 79 11.704 4.317 -6.979 1.00 0.00 O ATOM 1249 CB ILE A 79 8.617 4.493 -7.395 1.00 0.00 C ATOM 1250 CG1 ILE A 79 7.833 5.038 -8.600 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.793 3.784 -6.314 1.00 0.00 C ATOM 1252 CD1 ILE A 79 6.755 4.092 -9.113 1.00 0.00 C ATOM 0 H ILE A 79 9.183 7.183 -8.086 1.00 0.00 H new ATOM 0 HA ILE A 79 9.568 5.334 -5.794 1.00 0.00 H new ATOM 0 HB ILE A 79 9.202 3.659 -7.782 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.370 5.985 -8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.531 5.251 -9.409 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.123 3.063 -6.782 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.463 3.265 -5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.207 4.519 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.246 4.547 -9.963 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.213 3.153 -9.424 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.033 3.898 -8.319 1.00 0.00 H new ATOM 1264 N SER A 80 11.660 6.490 -7.666 1.00 0.00 N ATOM 1265 CA SER A 80 13.052 6.699 -7.999 1.00 0.00 C ATOM 1266 C SER A 80 13.123 8.236 -7.977 1.00 0.00 C ATOM 1267 O SER A 80 12.323 8.874 -8.644 1.00 0.00 O ATOM 1268 CB SER A 80 13.390 6.067 -9.376 1.00 0.00 C ATOM 1269 OG SER A 80 12.685 4.847 -9.844 1.00 0.00 O ATOM 0 H SER A 80 11.097 7.323 -7.841 1.00 0.00 H new ATOM 0 HA SER A 80 13.778 6.234 -7.331 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.232 6.838 -10.130 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.456 5.840 -9.371 1.00 0.00 H new ATOM 0 HG SER A 80 13.023 4.593 -10.728 1.00 0.00 H new ATOM 1275 N PRO A 81 14.054 8.855 -7.202 1.00 0.00 N ATOM 1276 CA PRO A 81 14.056 10.315 -7.104 1.00 0.00 C ATOM 1277 C PRO A 81 14.295 11.093 -8.411 1.00 0.00 C ATOM 1278 O PRO A 81 13.962 12.266 -8.508 1.00 0.00 O ATOM 1279 CB PRO A 81 15.084 10.617 -6.008 1.00 0.00 C ATOM 1280 CG PRO A 81 15.456 9.274 -5.378 1.00 0.00 C ATOM 1281 CD PRO A 81 15.101 8.222 -6.412 1.00 0.00 C ATOM 0 HA PRO A 81 13.056 10.673 -6.860 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.964 11.106 -6.426 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.668 11.293 -5.262 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.517 9.238 -5.131 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.907 9.112 -4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.962 7.958 -7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.749 7.303 -5.944 1.00 0.00 H new ATOM 1289 N ARG A 82 14.836 10.367 -9.414 1.00 0.00 N ATOM 1290 CA ARG A 82 15.072 10.965 -10.727 1.00 0.00 C ATOM 1291 C ARG A 82 13.781 10.944 -11.576 1.00 0.00 C ATOM 1292 O ARG A 82 13.598 11.779 -12.451 1.00 0.00 O ATOM 1293 CB ARG A 82 16.280 10.338 -11.446 1.00 0.00 C ATOM 1294 CG ARG A 82 16.097 8.904 -11.960 1.00 0.00 C ATOM 1295 CD ARG A 82 16.043 7.863 -10.846 1.00 0.00 C ATOM 1296 NE ARG A 82 16.030 6.518 -11.412 1.00 0.00 N ATOM 1297 CZ ARG A 82 17.146 5.804 -11.655 1.00 0.00 C ATOM 1298 NH1 ARG A 82 18.347 6.304 -11.397 1.00 0.00 N ATOM 1299 NH2 ARG A 82 17.037 4.582 -12.162 1.00 0.00 N ATOM 0 H ARG A 82 15.109 9.388 -9.334 1.00 0.00 H new ATOM 0 HA ARG A 82 15.339 12.011 -10.578 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.542 10.974 -12.292 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.129 10.351 -10.763 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.178 8.849 -12.543 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.917 8.661 -12.635 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.904 7.980 -10.187 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.152 8.018 -10.237 1.00 0.00 H new ATOM 0 HE ARG A 82 15.128 6.096 -11.635 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.436 7.243 -11.008 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.182 5.750 -11.587 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.116 4.194 -12.363 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.875 4.031 -12.350 1.00 0.00 H new ATOM 1313 N ILE A 83 12.909 9.951 -11.265 1.00 0.00 N ATOM 1314 CA ILE A 83 11.614 9.810 -11.931 1.00 0.00 C ATOM 1315 C ILE A 83 10.472 9.912 -10.899 1.00 0.00 C ATOM 1316 O ILE A 83 10.117 9.014 -10.136 1.00 0.00 O ATOM 1317 CB ILE A 83 11.488 8.633 -12.877 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.895 7.323 -12.224 1.00 0.00 C ATOM 1319 CG2 ILE A 83 12.231 8.878 -14.198 1.00 0.00 C ATOM 1320 CD1 ILE A 83 11.409 6.201 -13.107 1.00 0.00 C ATOM 0 H ILE A 83 13.091 9.242 -10.555 1.00 0.00 H new ATOM 0 HA ILE A 83 11.529 10.653 -12.617 1.00 0.00 H new ATOM 0 HB ILE A 83 10.430 8.539 -13.122 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.977 7.275 -12.105 1.00 0.00 H new ATOM 0 HG13 ILE A 83 11.461 7.241 -11.228 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.115 8.010 -14.847 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.817 9.757 -14.691 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.290 9.041 -13.995 1.00 0.00 H new ATOM 0 HD11 ILE A 83 11.686 5.244 -12.665 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.325 6.256 -13.202 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.865 6.291 -14.093 1.00 0.00 H new ATOM 1332 N THR A 84 9.954 11.142 -10.997 1.00 0.00 N ATOM 1333 CA THR A 84 8.879 11.686 -10.200 1.00 0.00 C ATOM 1334 C THR A 84 7.713 11.939 -11.179 1.00 0.00 C ATOM 1335 O THR A 84 7.917 12.040 -12.384 1.00 0.00 O ATOM 1336 CB THR A 84 9.468 13.014 -9.630 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.919 13.136 -9.388 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.740 13.377 -8.315 1.00 0.00 C ATOM 0 H THR A 84 10.304 11.814 -11.680 1.00 0.00 H new ATOM 0 HA THR A 84 8.517 11.055 -9.388 1.00 0.00 H new ATOM 0 HB THR A 84 9.295 13.697 -10.461 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.118 14.028 -9.034 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.151 14.304 -7.916 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.676 13.506 -8.512 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.880 12.576 -7.589 1.00 0.00 H new ATOM 1346 N PHE A 85 6.501 12.032 -10.599 1.00 0.00 N ATOM 1347 CA PHE A 85 5.279 12.206 -11.401 1.00 0.00 C ATOM 1348 C PHE A 85 4.308 13.114 -10.604 1.00 0.00 C ATOM 1349 O PHE A 85 4.183 12.937 -9.405 1.00 0.00 O ATOM 1350 CB PHE A 85 4.677 10.806 -11.672 1.00 0.00 C ATOM 1351 CG PHE A 85 5.677 9.852 -12.297 1.00 0.00 C ATOM 1352 CD1 PHE A 85 5.870 9.818 -13.676 1.00 0.00 C ATOM 1353 CD2 PHE A 85 6.439 8.995 -11.500 1.00 0.00 C ATOM 1354 CE1 PHE A 85 6.813 8.964 -14.242 1.00 0.00 C ATOM 1355 CE2 PHE A 85 7.383 8.141 -12.061 1.00 0.00 C ATOM 1356 CZ PHE A 85 7.576 8.129 -13.434 1.00 0.00 C ATOM 0 H PHE A 85 6.344 11.990 -9.592 1.00 0.00 H new ATOM 0 HA PHE A 85 5.480 12.681 -12.361 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.314 10.383 -10.735 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.815 10.907 -12.332 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.282 10.461 -14.313 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.293 8.995 -10.430 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.952 8.950 -15.313 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.965 7.488 -11.428 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.315 7.475 -13.873 1.00 0.00 H new ATOM 1366 N PRO A 86 3.591 14.067 -11.286 1.00 0.00 N ATOM 1367 CA PRO A 86 2.689 15.035 -10.617 1.00 0.00 C ATOM 1368 C PRO A 86 1.583 14.437 -9.720 1.00 0.00 C ATOM 1369 O PRO A 86 0.994 15.118 -8.890 1.00 0.00 O ATOM 1370 CB PRO A 86 2.088 15.853 -11.776 1.00 0.00 C ATOM 1371 CG PRO A 86 2.319 15.009 -13.033 1.00 0.00 C ATOM 1372 CD PRO A 86 3.578 14.194 -12.742 1.00 0.00 C ATOM 0 HA PRO A 86 3.263 15.622 -9.899 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.026 16.038 -11.617 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.571 16.826 -11.862 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.467 14.359 -13.233 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.453 15.640 -13.912 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.542 13.219 -13.227 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.473 14.699 -13.106 1.00 0.00 H new ATOM 1380 N THR A 87 1.365 13.133 -9.921 1.00 0.00 N ATOM 1381 CA THR A 87 0.417 12.332 -9.158 1.00 0.00 C ATOM 1382 C THR A 87 0.639 10.917 -9.643 1.00 0.00 C ATOM 1383 O THR A 87 1.395 10.670 -10.576 1.00 0.00 O ATOM 1384 CB THR A 87 -1.091 12.652 -9.365 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.079 11.879 -8.603 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.410 12.790 -10.861 1.00 0.00 C ATOM 0 H THR A 87 1.857 12.598 -10.637 1.00 0.00 H new ATOM 0 HA THR A 87 0.603 12.527 -8.102 1.00 0.00 H new ATOM 0 HB THR A 87 -1.224 13.619 -8.881 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.981 12.187 -8.831 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.469 13.014 -10.988 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.815 13.598 -11.287 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.173 11.856 -11.371 1.00 0.00 H new ATOM 1394 N LEU A 88 -0.090 10.002 -8.986 1.00 0.00 N ATOM 1395 CA LEU A 88 0.052 8.644 -9.431 1.00 0.00 C ATOM 1396 C LEU A 88 -0.558 8.478 -10.828 1.00 0.00 C ATOM 1397 O LEU A 88 -0.019 7.686 -11.572 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.613 7.622 -8.510 1.00 0.00 C ATOM 1399 CG LEU A 88 -0.173 7.659 -7.057 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -1.071 6.723 -6.283 1.00 0.00 C ATOM 1401 CD2 LEU A 88 1.258 7.186 -6.865 1.00 0.00 C ATOM 0 H LEU A 88 -0.729 10.172 -8.209 1.00 0.00 H new ATOM 0 HA LEU A 88 1.125 8.450 -9.433 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.692 7.774 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.418 6.625 -8.904 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.235 8.692 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.781 6.726 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.106 7.053 -6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.975 5.713 -6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.518 7.234 -5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.352 6.158 -7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.932 7.826 -7.434 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.626 9.233 -11.223 1.00 0.00 N ATOM 1414 CA GLN A 89 -2.172 8.886 -12.567 1.00 0.00 C ATOM 1415 C GLN A 89 -1.163 8.997 -13.732 1.00 0.00 C ATOM 1416 O GLN A 89 -1.224 8.209 -14.662 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.591 9.399 -12.930 1.00 0.00 C ATOM 1418 CG GLN A 89 -4.095 10.714 -12.321 1.00 0.00 C ATOM 1419 CD GLN A 89 -3.829 11.995 -13.130 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -2.631 12.061 -13.721 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -4.674 12.877 -13.211 1.00 0.00 N flip ATOM 0 H GLN A 89 -2.077 9.989 -10.708 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.348 7.820 -12.421 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.634 9.503 -14.014 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.301 8.618 -12.656 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.170 10.627 -12.165 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.639 10.831 -11.338 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.571 12.769 -12.737 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.481 13.720 -13.752 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.224 9.959 -13.636 1.00 0.00 N ATOM 1431 CA ALA A 90 0.774 10.104 -14.701 1.00 0.00 C ATOM 1432 C ALA A 90 1.858 8.999 -14.617 1.00 0.00 C ATOM 1433 O ALA A 90 2.570 8.711 -15.569 1.00 0.00 O ATOM 1434 CB ALA A 90 1.417 11.491 -14.589 1.00 0.00 C ATOM 0 H ALA A 90 -0.139 10.620 -12.864 1.00 0.00 H new ATOM 0 HA ALA A 90 0.278 9.999 -15.666 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.162 11.611 -15.376 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.649 12.258 -14.695 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.898 11.592 -13.616 1.00 0.00 H new ATOM 1440 N LEU A 91 1.926 8.408 -13.413 1.00 0.00 N ATOM 1441 CA LEU A 91 2.837 7.316 -13.099 1.00 0.00 C ATOM 1442 C LEU A 91 2.224 5.996 -13.630 1.00 0.00 C ATOM 1443 O LEU A 91 2.918 5.147 -14.168 1.00 0.00 O ATOM 1444 CB LEU A 91 3.085 7.408 -11.573 1.00 0.00 C ATOM 1445 CG LEU A 91 3.433 6.153 -10.753 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.027 6.572 -9.398 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.191 5.316 -10.443 1.00 0.00 C ATOM 0 H LEU A 91 1.339 8.685 -12.626 1.00 0.00 H new ATOM 0 HA LEU A 91 3.813 7.365 -13.583 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.894 8.123 -11.423 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.189 7.842 -11.129 1.00 0.00 H new ATOM 0 HG LEU A 91 4.136 5.570 -11.347 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.273 5.683 -8.818 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.930 7.159 -9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.299 7.172 -8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.479 4.439 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.483 5.914 -9.869 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.725 4.997 -11.375 1.00 0.00 H new ATOM 1459 N VAL A 92 0.882 5.908 -13.498 1.00 0.00 N ATOM 1460 CA VAL A 92 0.089 4.759 -13.906 1.00 0.00 C ATOM 1461 C VAL A 92 -0.247 4.813 -15.429 1.00 0.00 C ATOM 1462 O VAL A 92 -0.710 3.831 -15.989 1.00 0.00 O ATOM 1463 CB VAL A 92 -1.206 4.718 -13.037 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.720 3.317 -12.821 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -1.110 5.251 -11.601 1.00 0.00 C ATOM 0 H VAL A 92 0.321 6.658 -13.094 1.00 0.00 H new ATOM 0 HA VAL A 92 0.662 3.845 -13.748 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.845 5.362 -13.642 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.622 3.351 -12.210 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.951 2.862 -13.784 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.959 2.725 -12.313 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.081 5.162 -11.114 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.372 4.672 -11.046 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.809 6.298 -11.621 1.00 0.00 H new ATOM 1475 N GLN A 93 0.014 5.993 -16.061 1.00 0.00 N ATOM 1476 CA GLN A 93 -0.259 6.221 -17.488 1.00 0.00 C ATOM 1477 C GLN A 93 0.985 5.784 -18.269 1.00 0.00 C ATOM 1478 O GLN A 93 0.940 5.015 -19.224 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.653 7.689 -17.819 1.00 0.00 C ATOM 1480 CG GLN A 93 0.480 8.667 -18.185 1.00 0.00 C ATOM 1481 CD GLN A 93 -0.053 10.078 -18.449 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -1.125 10.276 -19.003 1.00 0.00 O ATOM 1483 NE2 GLN A 93 0.772 11.041 -18.013 1.00 0.00 N ATOM 0 H GLN A 93 0.417 6.801 -15.588 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.129 5.632 -17.778 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.360 7.668 -18.649 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.184 8.097 -16.958 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.209 8.699 -17.375 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.002 8.304 -19.070 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.651 10.793 -17.559 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.520 12.022 -18.135 1.00 0.00 H new ATOM 1492 N HIS A 94 2.109 6.325 -17.745 1.00 0.00 N ATOM 1493 CA HIS A 94 3.430 6.076 -18.286 1.00 0.00 C ATOM 1494 C HIS A 94 3.741 4.586 -18.178 1.00 0.00 C ATOM 1495 O HIS A 94 4.331 4.001 -19.073 1.00 0.00 O ATOM 1496 CB HIS A 94 4.448 6.912 -17.493 1.00 0.00 C ATOM 1497 CG HIS A 94 5.860 6.724 -18.008 1.00 0.00 C ATOM 1498 ND1 HIS A 94 6.942 6.687 -17.204 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.299 6.575 -19.336 1.00 0.00 C ATOM 1500 CE1 HIS A 94 8.001 6.526 -18.012 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.646 6.452 -19.307 1.00 0.00 N ATOM 0 H HIS A 94 2.107 6.944 -16.935 1.00 0.00 H new ATOM 0 HA HIS A 94 3.480 6.362 -19.337 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.177 7.966 -17.554 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.406 6.632 -16.440 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.675 6.561 -20.217 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.021 6.463 -17.663 1.00 0.00 H new ATOM 0 HE2 HIS A 94 8.267 6.328 -20.106 1.00 0.00 H new ATOM 1509 N TYR A 95 3.271 4.018 -17.046 1.00 0.00 N ATOM 1510 CA TYR A 95 3.494 2.602 -16.787 1.00 0.00 C ATOM 1511 C TYR A 95 2.568 1.718 -17.630 1.00 0.00 C ATOM 1512 O TYR A 95 2.881 0.560 -17.858 1.00 0.00 O ATOM 1513 CB TYR A 95 3.471 2.301 -15.285 1.00 0.00 C ATOM 1514 CG TYR A 95 4.610 2.932 -14.505 1.00 0.00 C ATOM 1515 CD1 TYR A 95 5.559 3.782 -15.079 1.00 0.00 C ATOM 1516 CD2 TYR A 95 4.719 2.666 -13.148 1.00 0.00 C ATOM 1517 CE1 TYR A 95 6.579 4.347 -14.330 1.00 0.00 C ATOM 1518 CE2 TYR A 95 5.732 3.221 -12.385 1.00 0.00 C ATOM 1519 CZ TYR A 95 6.698 4.038 -12.974 1.00 0.00 C ATOM 1520 OH TYR A 95 7.765 4.510 -12.223 1.00 0.00 O ATOM 0 H TYR A 95 2.750 4.513 -16.322 1.00 0.00 H new ATOM 0 HA TYR A 95 4.500 2.343 -17.116 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.525 2.650 -14.871 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.503 1.221 -15.142 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.496 4.004 -16.134 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.999 2.013 -12.677 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.280 5.025 -14.794 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.775 3.020 -11.325 1.00 0.00 H new ATOM 0 HH TYR A 95 7.699 5.484 -12.137 1.00 0.00 H new ATOM 1530 N SER A 96 1.443 2.292 -18.112 1.00 0.00 N ATOM 1531 CA SER A 96 0.573 1.482 -18.980 1.00 0.00 C ATOM 1532 C SER A 96 1.261 1.137 -20.322 1.00 0.00 C ATOM 1533 O SER A 96 0.861 0.193 -20.994 1.00 0.00 O ATOM 1534 CB SER A 96 -0.801 2.182 -19.199 1.00 0.00 C ATOM 1535 OG SER A 96 -1.720 2.441 -18.060 1.00 0.00 O ATOM 0 H SER A 96 1.134 3.247 -17.930 1.00 0.00 H new ATOM 0 HA SER A 96 0.386 0.537 -18.471 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.597 3.144 -19.670 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.352 1.583 -19.924 1.00 0.00 H new ATOM 0 HG SER A 96 -1.319 3.104 -17.460 1.00 0.00 H new ATOM 1541 N LYS A 97 2.307 1.931 -20.661 1.00 0.00 N ATOM 1542 CA LYS A 97 3.053 1.711 -21.907 1.00 0.00 C ATOM 1543 C LYS A 97 4.511 1.218 -21.679 1.00 0.00 C ATOM 1544 O LYS A 97 5.028 0.397 -22.429 1.00 0.00 O ATOM 1545 CB LYS A 97 3.103 3.037 -22.694 1.00 0.00 C ATOM 1546 CG LYS A 97 1.781 3.448 -23.368 1.00 0.00 C ATOM 1547 CD LYS A 97 0.622 3.666 -22.389 1.00 0.00 C ATOM 1548 CE LYS A 97 -0.516 4.513 -22.959 1.00 0.00 C ATOM 1549 NZ LYS A 97 -1.573 4.716 -21.972 1.00 0.00 N ATOM 0 H LYS A 97 2.642 2.712 -20.096 1.00 0.00 H new ATOM 0 HA LYS A 97 2.531 0.927 -22.456 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.409 3.833 -22.015 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.874 2.958 -23.460 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.943 4.366 -23.933 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.497 2.678 -24.086 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.225 2.696 -22.088 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.005 4.147 -21.489 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.127 5.479 -23.282 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.929 4.024 -23.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.331 5.294 -22.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.960 3.795 -21.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.183 5.204 -21.141 1.00 0.00 H new ATOM 1563 N LYS A 98 5.126 1.759 -20.609 1.00 0.00 N ATOM 1564 CA LYS A 98 6.507 1.491 -20.245 1.00 0.00 C ATOM 1565 C LYS A 98 6.634 1.511 -18.709 1.00 0.00 C ATOM 1566 O LYS A 98 6.571 2.563 -18.086 1.00 0.00 O ATOM 1567 CB LYS A 98 7.312 2.622 -20.909 1.00 0.00 C ATOM 1568 CG LYS A 98 8.770 2.251 -21.108 1.00 0.00 C ATOM 1569 CD LYS A 98 9.638 2.524 -19.888 1.00 0.00 C ATOM 1570 CE LYS A 98 11.004 1.866 -20.024 1.00 0.00 C ATOM 1571 NZ LYS A 98 11.982 2.759 -20.639 1.00 0.00 N ATOM 0 H LYS A 98 4.658 2.403 -19.971 1.00 0.00 H new ATOM 0 HA LYS A 98 6.868 0.516 -20.574 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.866 2.864 -21.874 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.248 3.520 -20.294 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.836 1.193 -21.362 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.166 2.808 -21.957 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.761 3.599 -19.760 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.140 2.151 -18.993 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.360 1.562 -19.040 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.912 0.960 -20.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.851 2.228 -20.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.590 3.150 -21.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.203 3.536 -19.984 1.00 0.00 H new ATOM 1585 N GLY A 99 6.860 0.293 -18.153 1.00 0.00 N ATOM 1586 CA GLY A 99 7.005 0.084 -16.707 1.00 0.00 C ATOM 1587 C GLY A 99 7.913 1.114 -16.023 1.00 0.00 C ATOM 1588 O GLY A 99 7.594 1.649 -14.976 1.00 0.00 O ATOM 0 H GLY A 99 6.945 -0.563 -18.701 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.019 0.117 -16.243 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.406 -0.914 -16.532 1.00 0.00 H new ATOM 1592 N ASP A 100 9.060 1.336 -16.693 1.00 0.00 N ATOM 1593 CA ASP A 100 10.083 2.302 -16.315 1.00 0.00 C ATOM 1594 C ASP A 100 10.540 2.168 -14.855 1.00 0.00 C ATOM 1595 O ASP A 100 10.103 2.861 -13.943 1.00 0.00 O ATOM 1596 CB ASP A 100 9.654 3.741 -16.666 1.00 0.00 C ATOM 1597 CG ASP A 100 10.882 4.616 -16.987 1.00 0.00 C ATOM 1598 OD1 ASP A 100 11.643 4.257 -17.888 1.00 0.00 O ATOM 1599 OD2 ASP A 100 11.064 5.646 -16.341 1.00 0.00 O ATOM 0 H ASP A 100 9.298 0.823 -17.542 1.00 0.00 H new ATOM 0 HA ASP A 100 10.963 2.066 -16.913 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.979 3.725 -17.522 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.101 4.174 -15.832 1.00 0.00 H new ATOM 1604 N GLY A 101 11.465 1.203 -14.743 1.00 0.00 N ATOM 1605 CA GLY A 101 12.099 0.882 -13.466 1.00 0.00 C ATOM 1606 C GLY A 101 11.504 -0.364 -12.811 1.00 0.00 C ATOM 1607 O GLY A 101 12.189 -1.151 -12.169 1.00 0.00 O ATOM 0 H GLY A 101 11.788 0.634 -15.525 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.167 0.731 -13.623 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.993 1.730 -12.789 1.00 0.00 H new ATOM 1611 N LEU A 102 10.183 -0.491 -13.034 1.00 0.00 N ATOM 1612 CA LEU A 102 9.413 -1.600 -12.496 1.00 0.00 C ATOM 1613 C LEU A 102 9.718 -2.916 -13.230 1.00 0.00 C ATOM 1614 O LEU A 102 9.676 -3.994 -12.651 1.00 0.00 O ATOM 1615 CB LEU A 102 7.925 -1.263 -12.672 1.00 0.00 C ATOM 1616 CG LEU A 102 7.459 0.054 -12.027 1.00 0.00 C ATOM 1617 CD1 LEU A 102 5.988 -0.052 -11.650 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.255 0.507 -10.801 1.00 0.00 C ATOM 0 H LEU A 102 9.636 0.169 -13.586 1.00 0.00 H new ATOM 0 HA LEU A 102 9.675 -1.738 -11.447 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.704 -1.222 -13.739 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.335 -2.079 -12.255 1.00 0.00 H new ATOM 0 HG LEU A 102 7.632 0.815 -12.788 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.661 0.882 -11.193 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.396 -0.245 -12.545 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.852 -0.869 -10.941 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.844 1.444 -10.426 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.191 -0.254 -10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.299 0.654 -11.079 1.00 0.00 H new ATOM 1630 N CYS A 103 9.994 -2.734 -14.544 1.00 0.00 N ATOM 1631 CA CYS A 103 10.289 -3.815 -15.490 1.00 0.00 C ATOM 1632 C CYS A 103 9.058 -4.712 -15.758 1.00 0.00 C ATOM 1633 O CYS A 103 9.141 -5.714 -16.457 1.00 0.00 O ATOM 1634 CB CYS A 103 11.538 -4.634 -15.112 1.00 0.00 C ATOM 1635 SG CYS A 103 11.314 -5.914 -13.847 1.00 0.00 S ATOM 0 H CYS A 103 10.016 -1.810 -14.975 1.00 0.00 H new ATOM 0 HA CYS A 103 10.534 -3.323 -16.432 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.920 -5.110 -16.015 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.307 -3.943 -14.766 1.00 0.00 H new ATOM 0 HG CYS A 103 10.572 -5.449 -12.886 1.00 0.00 H new ATOM 1641 N GLN A 104 7.924 -4.272 -15.168 1.00 0.00 N ATOM 1642 CA GLN A 104 6.628 -4.917 -15.245 1.00 0.00 C ATOM 1643 C GLN A 104 5.650 -3.755 -15.276 1.00 0.00 C ATOM 1644 O GLN A 104 5.300 -3.156 -14.266 1.00 0.00 O ATOM 1645 CB GLN A 104 6.360 -5.784 -13.991 1.00 0.00 C ATOM 1646 CG GLN A 104 7.368 -6.909 -13.692 1.00 0.00 C ATOM 1647 CD GLN A 104 7.193 -8.152 -14.582 1.00 0.00 C ATOM 1648 OE1 GLN A 104 6.844 -9.230 -14.122 1.00 0.00 O ATOM 1649 NE2 GLN A 104 7.439 -7.945 -15.881 1.00 0.00 N ATOM 0 H GLN A 104 7.904 -3.421 -14.606 1.00 0.00 H new ATOM 0 HA GLN A 104 6.549 -5.581 -16.106 1.00 0.00 H new ATOM 0 HB2 GLN A 104 6.322 -5.124 -13.124 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.372 -6.233 -14.094 1.00 0.00 H new ATOM 0 HG2 GLN A 104 8.379 -6.522 -13.819 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.269 -7.205 -12.648 1.00 0.00 H new ATOM 0 HE21 GLN A 104 7.727 -7.022 -16.205 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.338 -8.710 -16.547 1.00 0.00 H new ATOM 1658 N LYS A 105 5.269 -3.478 -16.528 1.00 0.00 N ATOM 1659 CA LYS A 105 4.375 -2.384 -16.815 1.00 0.00 C ATOM 1660 C LYS A 105 2.956 -2.852 -16.523 1.00 0.00 C ATOM 1661 O LYS A 105 2.667 -4.038 -16.468 1.00 0.00 O ATOM 1662 CB LYS A 105 4.536 -2.019 -18.295 1.00 0.00 C ATOM 1663 CG LYS A 105 3.603 -2.742 -19.286 1.00 0.00 C ATOM 1664 CD LYS A 105 3.825 -2.296 -20.727 1.00 0.00 C ATOM 1665 CE LYS A 105 5.128 -2.849 -21.269 1.00 0.00 C ATOM 1666 NZ LYS A 105 5.334 -2.489 -22.669 1.00 0.00 N ATOM 0 H LYS A 105 5.573 -4.003 -17.348 1.00 0.00 H new ATOM 0 HA LYS A 105 4.594 -1.507 -16.206 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.380 -0.945 -18.401 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.567 -2.222 -18.586 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.764 -3.818 -19.213 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.566 -2.555 -19.007 1.00 0.00 H new ATOM 0 HD2 LYS A 105 2.995 -2.634 -21.348 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.838 -1.207 -20.777 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.958 -2.472 -20.672 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.131 -3.934 -21.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.273 -2.813 -22.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.603 -2.941 -23.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.273 -1.456 -22.774 1.00 0.00 H new ATOM 1680 N LEU A 106 2.118 -1.824 -16.391 1.00 0.00 N ATOM 1681 CA LEU A 106 0.704 -1.994 -16.111 1.00 0.00 C ATOM 1682 C LEU A 106 -0.008 -2.607 -17.329 1.00 0.00 C ATOM 1683 O LEU A 106 0.253 -2.231 -18.464 1.00 0.00 O ATOM 1684 CB LEU A 106 0.080 -0.604 -15.904 1.00 0.00 C ATOM 1685 CG LEU A 106 0.427 0.188 -14.639 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -0.765 0.276 -13.687 1.00 0.00 C ATOM 1687 CD2 LEU A 106 1.592 -0.397 -13.875 1.00 0.00 C ATOM 0 H LEU A 106 2.408 -0.850 -16.477 1.00 0.00 H new ATOM 0 HA LEU A 106 0.595 -2.635 -15.236 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.354 0.010 -16.762 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.003 -0.723 -15.930 1.00 0.00 H new ATOM 0 HG LEU A 106 0.703 1.181 -14.994 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.482 0.845 -12.801 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.595 0.774 -14.188 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.070 -0.728 -13.392 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.788 0.209 -12.990 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.353 -1.416 -13.571 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.477 -0.406 -14.512 1.00 0.00 H new ATOM 1699 N THR A 107 -0.916 -3.556 -17.034 1.00 0.00 N ATOM 1700 CA THR A 107 -1.667 -4.196 -18.110 1.00 0.00 C ATOM 1701 C THR A 107 -3.152 -4.057 -17.839 1.00 0.00 C ATOM 1702 O THR A 107 -3.873 -3.341 -18.523 1.00 0.00 O ATOM 1703 CB THR A 107 -1.229 -5.671 -18.346 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.651 -6.770 -17.465 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.306 -5.700 -18.592 1.00 0.00 C ATOM 0 H THR A 107 -1.137 -3.882 -16.093 1.00 0.00 H new ATOM 0 HA THR A 107 -1.442 -3.685 -19.046 1.00 0.00 H new ATOM 0 HB THR A 107 -1.839 -5.935 -19.209 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.861 -7.560 -18.005 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.628 -6.728 -18.759 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.546 -5.098 -19.468 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.822 -5.295 -17.721 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.537 -4.784 -16.775 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.941 -4.767 -16.368 1.00 0.00 C ATOM 1715 C LEU A 108 -4.996 -4.690 -14.830 1.00 0.00 C ATOM 1716 O LEU A 108 -4.661 -5.655 -14.166 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.641 -6.041 -16.828 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.471 -6.394 -18.314 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.543 -7.905 -18.542 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.495 -5.637 -19.163 1.00 0.00 C ATOM 0 H LEU A 108 -2.921 -5.365 -16.206 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.442 -3.910 -16.818 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.270 -6.874 -16.231 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.706 -5.946 -16.615 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.477 -6.077 -18.630 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.419 -8.119 -19.604 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.750 -8.396 -17.978 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.511 -8.278 -18.207 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.361 -5.898 -20.213 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.502 -5.909 -18.847 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.352 -4.564 -19.035 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.442 -3.540 -14.268 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.493 -3.351 -12.818 1.00 0.00 C ATOM 1734 C PRO A 109 -6.639 -4.149 -12.170 1.00 0.00 C ATOM 1735 O PRO A 109 -7.769 -3.703 -12.010 1.00 0.00 O ATOM 1736 CB PRO A 109 -5.689 -1.843 -12.678 1.00 0.00 C ATOM 1737 CG PRO A 109 -6.401 -1.413 -13.963 1.00 0.00 C ATOM 1738 CD PRO A 109 -5.967 -2.425 -15.028 1.00 0.00 C ATOM 0 HA PRO A 109 -4.600 -3.713 -12.308 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -6.285 -1.603 -11.798 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.734 -1.330 -12.566 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.483 -1.419 -13.833 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.120 -0.399 -14.247 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.806 -2.730 -15.653 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.211 -2.005 -15.692 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.182 -5.356 -11.779 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.947 -6.424 -11.139 1.00 0.00 C ATOM 1748 C CYS A 110 -8.395 -6.532 -11.676 1.00 0.00 C ATOM 1749 O CYS A 110 -8.649 -6.388 -12.864 1.00 0.00 O ATOM 1750 CB CYS A 110 -6.801 -6.373 -9.611 1.00 0.00 C ATOM 1751 SG CYS A 110 -7.157 -7.967 -8.828 1.00 0.00 S ATOM 0 H CYS A 110 -5.206 -5.619 -11.914 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.511 -7.380 -11.428 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -5.787 -6.065 -9.356 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.475 -5.616 -9.210 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.056 -8.477 -8.362 1.00 0.00 H new ATOM 1757 N VAL A 111 -9.314 -6.798 -10.736 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.735 -6.925 -11.047 1.00 0.00 C ATOM 1759 C VAL A 111 -11.466 -6.925 -9.702 1.00 0.00 C ATOM 1760 O VAL A 111 -11.035 -7.589 -8.770 1.00 0.00 O ATOM 1761 CB VAL A 111 -11.030 -8.196 -11.875 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -10.494 -9.477 -11.222 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -12.530 -8.330 -12.189 1.00 0.00 C ATOM 0 H VAL A 111 -9.091 -6.929 -9.749 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.077 -6.099 -11.671 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.491 -8.073 -12.814 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.733 -10.334 -11.852 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.413 -9.402 -11.107 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.955 -9.607 -10.243 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.700 -9.235 -12.772 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.093 -8.388 -11.257 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -12.861 -7.463 -12.760 1.00 0.00 H new