USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 675 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 39 SER OG : rot -130:sc= 0 USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= -0.0392 USER MOD Set 2.1: A 34 THR OG1 : rot 80:sc= -0.822! USER MOD Set 2.2: A 83 THR OG1 : rot -76:sc= 0.781 USER MOD Set 3.1: A 32 THR OG1 : rot -127:sc= -0.338 USER MOD Set 3.2: A 85 HIS : no HD1:sc= -2.9 X(o=-3.2,f=-2.9!) USER MOD Single : A 17 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.14) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 70:sc= -0.874 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.981 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-3.2!) USER MOD Single : A 36 HIS : no HE2:sc= -2.82 X(o=-2.8,f=-2.8!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.023 K(o=-0.023,f=-0.84) USER MOD Single : A 52 TYR OH : rot 132:sc= 0.00771 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -126:sc= -0.622 (180deg=-1.18!) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 78 LYS NZ :NH3+ -116:sc= -2.34! (180deg=-7.37!) USER MOD Single : A 79 GLN : amide:sc= -0.444 K(o=-0.44,f=-1.4) USER MOD Single : A 80 ASN : amide:sc=-0.00994 X(o=-0.0099,f=-0.41) USER MOD Single : A 81 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.063) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.16 K(o=-0.16,f=-1) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00868 USER MOD Single : A 91 THR OG1 : rot 180:sc=-0.00225 USER MOD Single : A 93 TYR OH : rot 165:sc= -0.488 USER MOD Single : A 98 LYS NZ :NH3+ -176:sc= 0.0116 (180deg=0.0098) USER MOD Single : A 101 ASN : amide:sc= -3.52 K(o=-3.5,f=-15!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.031 K(o=-0.031,f=-2!) USER MOD Single : A 108 SER OG : rot -81:sc= 0.848 USER MOD Single : A 111 THR OG1 : rot -110:sc= -0.305 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -174:sc= 0.62 USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.230 -16.423 -5.650 1.00 0.00 N ATOM 174 CA ALA A 15 -4.183 -14.980 -5.446 1.00 0.00 C ATOM 175 C ALA A 15 -3.440 -14.632 -4.161 1.00 0.00 C ATOM 176 O ALA A 15 -3.563 -15.309 -3.141 1.00 0.00 O ATOM 177 CB ALA A 15 -5.591 -14.405 -5.417 1.00 0.00 C ATOM 0 HA ALA A 15 -3.639 -14.537 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.541 -13.327 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.089 -14.614 -6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.154 -14.861 -4.602 1.00 0.00 H new ATOM 183 N PRO A 16 -2.648 -13.550 -4.209 1.00 0.00 N ATOM 184 CA PRO A 16 -1.870 -13.087 -3.056 1.00 0.00 C ATOM 185 C PRO A 16 -2.752 -12.513 -1.953 1.00 0.00 C ATOM 186 O PRO A 16 -3.606 -11.665 -2.207 1.00 0.00 O ATOM 187 CB PRO A 16 -0.975 -11.994 -3.648 1.00 0.00 C ATOM 188 CG PRO A 16 -1.717 -11.503 -4.843 1.00 0.00 C ATOM 189 CD PRO A 16 -2.453 -12.695 -5.392 1.00 0.00 C ATOM 0 HA PRO A 16 -1.319 -13.900 -2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.804 -11.191 -2.931 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.003 -12.389 -3.924 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.411 -10.707 -4.572 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.033 -11.091 -5.585 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.404 -12.408 -5.842 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.876 -13.203 -6.164 1.00 0.00 H new ATOM 197 N ASN A 17 -2.539 -12.982 -0.728 1.00 0.00 N ATOM 198 CA ASN A 17 -3.316 -12.515 0.415 1.00 0.00 C ATOM 199 C ASN A 17 -3.394 -10.991 0.434 1.00 0.00 C ATOM 200 O ASN A 17 -2.398 -10.292 0.247 1.00 0.00 O ATOM 201 CB ASN A 17 -2.698 -13.021 1.720 1.00 0.00 C ATOM 202 CG ASN A 17 -1.469 -12.230 2.123 1.00 0.00 C ATOM 203 OD1 ASN A 17 -0.424 -12.314 1.479 1.00 0.00 O ATOM 204 ND2 ASN A 17 -1.590 -11.455 3.195 1.00 0.00 N ATOM 0 H ASN A 17 -1.835 -13.685 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.327 -12.912 0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.440 -12.964 2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.430 -14.072 1.608 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.797 -10.899 3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.476 -11.416 3.699 1.00 0.00 H new ATOM 211 N PRO A 18 -4.605 -10.463 0.665 1.00 0.00 N ATOM 212 CA PRO A 18 -4.842 -9.018 0.715 1.00 0.00 C ATOM 213 C PRO A 18 -4.216 -8.370 1.946 1.00 0.00 C ATOM 214 O PRO A 18 -4.495 -8.747 3.085 1.00 0.00 O ATOM 215 CB PRO A 18 -6.368 -8.910 0.772 1.00 0.00 C ATOM 216 CG PRO A 18 -6.817 -10.199 1.368 1.00 0.00 C ATOM 217 CD PRO A 18 -5.836 -11.237 0.896 1.00 0.00 C ATOM 0 HA PRO A 18 -4.396 -8.503 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.682 -8.062 1.380 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.792 -8.764 -0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.831 -10.142 2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.830 -10.445 1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.686 -12.017 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.178 -11.729 -0.015 1.00 0.00 H new ATOM 225 N PRO A 19 -3.351 -7.372 1.715 1.00 0.00 N ATOM 226 CA PRO A 19 -2.668 -6.650 2.794 1.00 0.00 C ATOM 227 C PRO A 19 -3.621 -5.770 3.595 1.00 0.00 C ATOM 228 O PRO A 19 -4.576 -5.216 3.050 1.00 0.00 O ATOM 229 CB PRO A 19 -1.642 -5.791 2.051 1.00 0.00 C ATOM 230 CG PRO A 19 -2.217 -5.606 0.689 1.00 0.00 C ATOM 231 CD PRO A 19 -2.971 -6.871 0.384 1.00 0.00 C ATOM 0 HA PRO A 19 -2.227 -7.328 3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.491 -4.834 2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.671 -6.284 2.007 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.878 -4.740 0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.431 -5.433 -0.046 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.846 -6.677 -0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.351 -7.589 -0.153 1.00 0.00 H new ATOM 239 N SER A 20 -3.355 -5.644 4.891 1.00 0.00 N ATOM 240 CA SER A 20 -4.191 -4.833 5.768 1.00 0.00 C ATOM 241 C SER A 20 -3.478 -3.542 6.157 1.00 0.00 C ATOM 242 O SER A 20 -2.536 -3.555 6.950 1.00 0.00 O ATOM 243 CB SER A 20 -4.564 -5.622 7.025 1.00 0.00 C ATOM 244 OG SER A 20 -5.808 -6.280 6.865 1.00 0.00 O ATOM 0 H SER A 20 -2.567 -6.093 5.357 1.00 0.00 H new ATOM 0 HA SER A 20 -5.101 -4.576 5.226 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.787 -6.355 7.242 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.613 -4.948 7.880 1.00 0.00 H new ATOM 0 HG SER A 20 -6.022 -6.778 7.681 1.00 0.00 H new ATOM 250 N ILE A 21 -3.934 -2.429 5.592 1.00 0.00 N ATOM 251 CA ILE A 21 -3.341 -1.129 5.880 1.00 0.00 C ATOM 252 C ILE A 21 -3.627 -0.700 7.315 1.00 0.00 C ATOM 253 O ILE A 21 -4.777 -0.465 7.686 1.00 0.00 O ATOM 254 CB ILE A 21 -3.865 -0.046 4.918 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.506 -0.399 3.474 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.298 1.315 5.294 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.302 0.376 2.447 1.00 0.00 C ATOM 0 H ILE A 21 -4.712 -2.402 4.933 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.265 -1.236 5.743 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.951 -0.001 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.444 -0.211 3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.668 -1.466 3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.677 2.070 4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.600 1.567 6.311 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.210 1.285 5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.995 0.075 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.364 0.170 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.121 1.443 2.576 1.00 0.00 H new ATOM 269 N ARG A 22 -2.572 -0.598 8.117 1.00 0.00 N ATOM 270 CA ARG A 22 -2.709 -0.196 9.512 1.00 0.00 C ATOM 271 C ARG A 22 -2.746 1.324 9.639 1.00 0.00 C ATOM 272 O ARG A 22 -1.720 1.992 9.511 1.00 0.00 O ATOM 273 CB ARG A 22 -1.555 -0.760 10.343 1.00 0.00 C ATOM 274 CG ARG A 22 -1.527 -2.279 10.396 1.00 0.00 C ATOM 275 CD ARG A 22 -2.588 -2.823 11.340 1.00 0.00 C ATOM 276 NE ARG A 22 -2.094 -2.937 12.710 1.00 0.00 N ATOM 277 CZ ARG A 22 -1.660 -4.074 13.243 1.00 0.00 C ATOM 278 NH1 ARG A 22 -1.660 -5.189 12.524 1.00 0.00 N ATOM 279 NH2 ARG A 22 -1.226 -4.098 14.496 1.00 0.00 N ATOM 0 H ARG A 22 -1.613 -0.788 7.825 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.650 -0.598 9.889 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.612 -0.402 9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.626 -0.371 11.359 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.687 -2.682 9.396 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.542 -2.615 10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.459 -2.168 11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.917 -3.802 10.990 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.082 -2.098 13.289 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.994 -5.174 11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.326 -6.061 12.935 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.225 -3.243 15.052 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.893 -4.972 14.904 1.00 0.00 H new ATOM 293 N GLU A 23 -3.935 1.863 9.891 1.00 0.00 N ATOM 294 CA GLU A 23 -4.105 3.304 10.034 1.00 0.00 C ATOM 295 C GLU A 23 -3.453 3.804 11.320 1.00 0.00 C ATOM 296 O GLU A 23 -2.881 4.892 11.355 1.00 0.00 O ATOM 297 CB GLU A 23 -5.591 3.668 10.027 1.00 0.00 C ATOM 298 CG GLU A 23 -6.321 3.222 8.771 1.00 0.00 C ATOM 299 CD GLU A 23 -7.828 3.319 8.907 1.00 0.00 C ATOM 300 OE1 GLU A 23 -8.405 2.540 9.693 1.00 0.00 O ATOM 301 OE2 GLU A 23 -8.430 4.176 8.226 1.00 0.00 O ATOM 0 H GLU A 23 -4.794 1.324 10.000 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.616 3.787 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.071 3.217 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.692 4.748 10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.996 3.834 7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.046 2.192 8.542 1.00 0.00 H new ATOM 308 N GLU A 24 -3.547 3.000 12.375 1.00 0.00 N ATOM 309 CA GLU A 24 -2.968 3.362 13.664 1.00 0.00 C ATOM 310 C GLU A 24 -1.468 3.608 13.537 1.00 0.00 C ATOM 311 O GLU A 24 -0.917 4.502 14.180 1.00 0.00 O ATOM 312 CB GLU A 24 -3.230 2.260 14.693 1.00 0.00 C ATOM 313 CG GLU A 24 -2.497 0.962 14.395 1.00 0.00 C ATOM 314 CD GLU A 24 -2.553 -0.018 15.550 1.00 0.00 C ATOM 315 OE1 GLU A 24 -1.794 0.171 16.524 1.00 0.00 O ATOM 316 OE2 GLU A 24 -3.354 -0.973 15.481 1.00 0.00 O ATOM 0 H GLU A 24 -4.018 2.095 12.363 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.442 4.284 14.000 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.933 2.617 15.679 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.301 2.061 14.735 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.932 0.499 13.509 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.456 1.183 14.161 1.00 0.00 H new ATOM 323 N LEU A 25 -0.812 2.808 12.703 1.00 0.00 N ATOM 324 CA LEU A 25 0.626 2.938 12.491 1.00 0.00 C ATOM 325 C LEU A 25 0.927 4.005 11.443 1.00 0.00 C ATOM 326 O LEU A 25 1.993 4.623 11.461 1.00 0.00 O ATOM 327 CB LEU A 25 1.220 1.597 12.055 1.00 0.00 C ATOM 328 CG LEU A 25 0.737 0.368 12.826 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.274 -0.905 12.189 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.157 0.454 14.286 1.00 0.00 C ATOM 0 H LEU A 25 -1.252 2.063 12.163 1.00 0.00 H new ATOM 0 HA LEU A 25 1.082 3.241 13.433 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.997 1.449 10.998 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.305 1.656 12.146 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.352 0.341 12.784 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.921 -1.770 12.750 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.923 -0.973 11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.364 -0.886 12.200 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.804 -0.429 14.819 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.244 0.506 14.349 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.724 1.347 14.737 1.00 0.00 H new ATOM 342 N CYS A 26 -0.017 4.217 10.534 1.00 0.00 N ATOM 343 CA CYS A 26 0.147 5.211 9.479 1.00 0.00 C ATOM 344 C CYS A 26 0.482 6.578 10.067 1.00 0.00 C ATOM 345 O CYS A 26 0.238 6.836 11.246 1.00 0.00 O ATOM 346 CB CYS A 26 -1.125 5.304 8.634 1.00 0.00 C ATOM 347 SG CYS A 26 -1.267 4.019 7.370 1.00 0.00 S ATOM 0 H CYS A 26 -0.904 3.714 10.506 1.00 0.00 H new ATOM 0 HA CYS A 26 0.975 4.896 8.843 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.991 5.247 9.293 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.156 6.280 8.150 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.486 2.871 7.940 1.00 0.00 H new ATOM 353 N THR A 27 1.044 7.452 9.237 1.00 0.00 N ATOM 354 CA THR A 27 1.416 8.791 9.675 1.00 0.00 C ATOM 355 C THR A 27 1.244 9.805 8.550 1.00 0.00 C ATOM 356 O THR A 27 1.603 9.540 7.403 1.00 0.00 O ATOM 357 CB THR A 27 2.873 8.836 10.173 1.00 0.00 C ATOM 358 OG1 THR A 27 3.754 8.349 9.154 1.00 0.00 O ATOM 359 CG2 THR A 27 3.039 8.002 11.434 1.00 0.00 C ATOM 0 H THR A 27 1.251 7.256 8.258 1.00 0.00 H new ATOM 0 HA THR A 27 0.751 9.050 10.499 1.00 0.00 H new ATOM 0 HB THR A 27 3.123 9.871 10.405 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.678 8.382 9.477 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.076 8.049 11.767 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.388 8.392 12.217 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.772 6.966 11.223 1.00 0.00 H new ATOM 367 N ALA A 28 0.695 10.967 8.885 1.00 0.00 N ATOM 368 CA ALA A 28 0.478 12.022 7.903 1.00 0.00 C ATOM 369 C ALA A 28 1.354 13.235 8.198 1.00 0.00 C ATOM 370 O ALA A 28 1.500 13.641 9.351 1.00 0.00 O ATOM 371 CB ALA A 28 -0.989 12.423 7.873 1.00 0.00 C ATOM 0 H ALA A 28 0.392 11.202 9.830 1.00 0.00 H new ATOM 0 HA ALA A 28 0.757 11.634 6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.136 13.212 7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.597 11.559 7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.287 12.786 8.856 1.00 0.00 H new ATOM 377 N SER A 29 1.934 13.810 7.149 1.00 0.00 N ATOM 378 CA SER A 29 2.799 14.974 7.297 1.00 0.00 C ATOM 379 C SER A 29 2.384 16.085 6.337 1.00 0.00 C ATOM 380 O SER A 29 1.597 15.863 5.416 1.00 0.00 O ATOM 381 CB SER A 29 4.258 14.587 7.047 1.00 0.00 C ATOM 382 OG SER A 29 4.664 13.541 7.913 1.00 0.00 O ATOM 0 H SER A 29 1.820 13.488 6.188 1.00 0.00 H new ATOM 0 HA SER A 29 2.698 15.343 8.318 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.382 14.274 6.010 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.899 15.456 7.196 1.00 0.00 H new ATOM 0 HG SER A 29 5.599 13.311 7.732 1.00 0.00 H new ATOM 388 N HIS A 30 2.919 17.281 6.559 1.00 0.00 N ATOM 389 CA HIS A 30 2.606 18.428 5.713 1.00 0.00 C ATOM 390 C HIS A 30 2.585 18.028 4.241 1.00 0.00 C ATOM 391 O HIS A 30 1.547 18.097 3.584 1.00 0.00 O ATOM 392 CB HIS A 30 3.624 19.546 5.936 1.00 0.00 C ATOM 393 CG HIS A 30 5.042 19.065 5.983 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.572 18.387 7.061 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.041 19.164 5.075 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.836 18.093 6.814 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.145 18.553 5.616 1.00 0.00 N ATOM 0 H HIS A 30 3.571 17.482 7.317 1.00 0.00 H new ATOM 0 HA HIS A 30 1.615 18.790 5.987 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.525 20.281 5.137 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.391 20.057 6.870 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.981 19.636 4.105 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.503 17.566 7.479 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.056 18.468 5.165 1.00 0.00 H new ATOM 406 N ASP A 31 3.738 17.611 3.730 1.00 0.00 N ATOM 407 CA ASP A 31 3.853 17.200 2.336 1.00 0.00 C ATOM 408 C ASP A 31 4.420 15.788 2.231 1.00 0.00 C ATOM 409 O ASP A 31 5.178 15.478 1.310 1.00 0.00 O ATOM 410 CB ASP A 31 4.740 18.178 1.565 1.00 0.00 C ATOM 411 CG ASP A 31 4.174 19.585 1.550 1.00 0.00 C ATOM 412 OD1 ASP A 31 3.556 19.986 2.558 1.00 0.00 O ATOM 413 OD2 ASP A 31 4.349 20.284 0.530 1.00 0.00 O ATOM 0 H ASP A 31 4.607 17.549 4.261 1.00 0.00 H new ATOM 0 HA ASP A 31 2.855 17.205 1.898 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.733 18.194 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.858 17.826 0.540 1.00 0.00 H new ATOM 418 N THR A 32 4.050 14.934 3.180 1.00 0.00 N ATOM 419 CA THR A 32 4.524 13.556 3.196 1.00 0.00 C ATOM 420 C THR A 32 3.568 12.655 3.969 1.00 0.00 C ATOM 421 O THR A 32 2.836 13.117 4.844 1.00 0.00 O ATOM 422 CB THR A 32 5.928 13.451 3.821 1.00 0.00 C ATOM 423 OG1 THR A 32 6.737 14.554 3.396 1.00 0.00 O ATOM 424 CG2 THR A 32 6.598 12.143 3.430 1.00 0.00 C ATOM 0 H THR A 32 3.423 15.173 3.948 1.00 0.00 H new ATOM 0 HA THR A 32 4.571 13.227 2.158 1.00 0.00 H new ATOM 0 HB THR A 32 5.822 13.476 4.906 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.577 14.218 3.019 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.588 12.092 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.994 11.306 3.781 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.692 12.093 2.345 1.00 0.00 H new ATOM 432 N ILE A 33 3.579 11.368 3.640 1.00 0.00 N ATOM 433 CA ILE A 33 2.714 10.402 4.305 1.00 0.00 C ATOM 434 C ILE A 33 3.302 8.997 4.236 1.00 0.00 C ATOM 435 O ILE A 33 3.713 8.534 3.171 1.00 0.00 O ATOM 436 CB ILE A 33 1.305 10.387 3.683 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.612 11.733 3.904 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.477 9.255 4.274 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.762 11.815 3.277 1.00 0.00 C ATOM 0 H ILE A 33 4.178 10.970 2.917 1.00 0.00 H new ATOM 0 HA ILE A 33 2.640 10.711 5.348 1.00 0.00 H new ATOM 0 HB ILE A 33 1.399 10.220 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.525 11.916 4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.237 12.526 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.516 9.258 3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.965 8.302 4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.388 9.394 5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.194 12.796 3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.680 11.663 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.404 11.044 3.704 1.00 0.00 H new ATOM 451 N THR A 34 3.340 8.320 5.380 1.00 0.00 N ATOM 452 CA THR A 34 3.878 6.967 5.450 1.00 0.00 C ATOM 453 C THR A 34 2.787 5.959 5.796 1.00 0.00 C ATOM 454 O THR A 34 2.240 5.976 6.899 1.00 0.00 O ATOM 455 CB THR A 34 5.006 6.864 6.494 1.00 0.00 C ATOM 456 OG1 THR A 34 6.086 7.733 6.134 1.00 0.00 O ATOM 457 CG2 THR A 34 5.513 5.434 6.603 1.00 0.00 C ATOM 0 H THR A 34 3.004 8.687 6.271 1.00 0.00 H new ATOM 0 HA THR A 34 4.283 6.737 4.465 1.00 0.00 H new ATOM 0 HB THR A 34 4.605 7.165 7.462 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.869 8.651 6.399 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.309 5.386 7.346 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.695 4.780 6.905 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.899 5.110 5.636 1.00 0.00 H new ATOM 465 N VAL A 35 2.476 5.082 4.847 1.00 0.00 N ATOM 466 CA VAL A 35 1.452 4.065 5.053 1.00 0.00 C ATOM 467 C VAL A 35 2.075 2.727 5.436 1.00 0.00 C ATOM 468 O VAL A 35 3.000 2.250 4.778 1.00 0.00 O ATOM 469 CB VAL A 35 0.589 3.874 3.791 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.479 2.817 4.029 1.00 0.00 C ATOM 471 CG2 VAL A 35 -0.040 5.194 3.372 1.00 0.00 C ATOM 0 H VAL A 35 2.918 5.055 3.928 1.00 0.00 H new ATOM 0 HA VAL A 35 0.819 4.414 5.868 1.00 0.00 H new ATOM 0 HB VAL A 35 1.232 3.530 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.079 2.696 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.003 1.869 4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.122 3.128 4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.646 5.041 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.670 5.569 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.745 5.919 3.158 1.00 0.00 H new ATOM 481 N HIS A 36 1.562 2.126 6.504 1.00 0.00 N ATOM 482 CA HIS A 36 2.067 0.841 6.975 1.00 0.00 C ATOM 483 C HIS A 36 1.065 -0.274 6.692 1.00 0.00 C ATOM 484 O HIS A 36 -0.097 -0.193 7.092 1.00 0.00 O ATOM 485 CB HIS A 36 2.366 0.905 8.473 1.00 0.00 C ATOM 486 CG HIS A 36 3.346 1.976 8.843 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.393 1.770 9.716 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.433 3.269 8.452 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.082 2.890 9.846 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.520 3.815 9.090 1.00 0.00 N ATOM 0 H HIS A 36 0.797 2.508 7.060 1.00 0.00 H new ATOM 0 HA HIS A 36 2.989 0.622 6.437 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.435 1.073 9.014 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.754 -0.060 8.799 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.603 0.890 10.188 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.771 3.777 7.766 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.956 3.026 10.465 1.00 0.00 H new ATOM 499 N TRP A 37 1.521 -1.311 6.000 1.00 0.00 N ATOM 500 CA TRP A 37 0.664 -2.442 5.663 1.00 0.00 C ATOM 501 C TRP A 37 1.154 -3.718 6.340 1.00 0.00 C ATOM 502 O TRP A 37 2.357 -3.974 6.405 1.00 0.00 O ATOM 503 CB TRP A 37 0.618 -2.640 4.147 1.00 0.00 C ATOM 504 CG TRP A 37 1.971 -2.598 3.502 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.847 -3.637 3.367 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.601 -1.459 2.905 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.984 -3.212 2.723 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.857 -1.880 2.428 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.225 -0.125 2.726 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.738 -1.014 1.786 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.100 0.734 2.089 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.345 0.287 1.624 1.00 0.00 C ATOM 0 H TRP A 37 2.480 -1.393 5.661 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.341 -2.224 6.025 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.148 -3.598 3.927 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.011 -1.867 3.706 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.672 -4.644 3.715 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.792 -3.794 2.501 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.268 0.228 3.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.698 -1.357 1.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.820 1.767 1.947 1.00 0.00 H new ATOM 0 HH2 TRP A 37 5.006 0.982 1.129 1.00 0.00 H new ATOM 523 N ILE A 38 0.216 -4.513 6.842 1.00 0.00 N ATOM 524 CA ILE A 38 0.553 -5.763 7.512 1.00 0.00 C ATOM 525 C ILE A 38 0.185 -6.966 6.651 1.00 0.00 C ATOM 526 O ILE A 38 -0.867 -6.986 6.012 1.00 0.00 O ATOM 527 CB ILE A 38 -0.159 -5.882 8.873 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.208 -7.204 9.550 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.665 -5.772 8.693 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.528 -7.160 10.287 1.00 0.00 C ATOM 0 H ILE A 38 -0.783 -4.314 6.798 1.00 0.00 H new ATOM 0 HA ILE A 38 1.631 -5.753 7.675 1.00 0.00 H new ATOM 0 HB ILE A 38 0.171 -5.064 9.513 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.581 -7.475 10.251 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.248 -7.990 8.796 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.155 -5.858 9.663 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.909 -4.807 8.248 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.013 -6.572 8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.723 -8.131 10.742 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.328 -6.920 9.587 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.485 -6.397 11.064 1.00 0.00 H new ATOM 542 N SER A 39 1.057 -7.969 6.640 1.00 0.00 N ATOM 543 CA SER A 39 0.825 -9.176 5.856 1.00 0.00 C ATOM 544 C SER A 39 1.222 -10.421 6.644 1.00 0.00 C ATOM 545 O SER A 39 2.135 -10.381 7.469 1.00 0.00 O ATOM 546 CB SER A 39 1.610 -9.117 4.545 1.00 0.00 C ATOM 547 OG SER A 39 2.961 -8.756 4.775 1.00 0.00 O ATOM 0 H SER A 39 1.931 -7.969 7.166 1.00 0.00 H new ATOM 0 HA SER A 39 -0.240 -9.234 5.631 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.569 -10.087 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.147 -8.395 3.872 1.00 0.00 H new ATOM 0 HG SER A 39 3.211 -8.024 4.173 1.00 0.00 H new ATOM 553 N ASP A 40 0.529 -11.524 6.383 1.00 0.00 N ATOM 554 CA ASP A 40 0.809 -12.782 7.066 1.00 0.00 C ATOM 555 C ASP A 40 2.051 -13.450 6.486 1.00 0.00 C ATOM 556 O ASP A 40 2.788 -14.136 7.195 1.00 0.00 O ATOM 557 CB ASP A 40 -0.391 -13.724 6.957 1.00 0.00 C ATOM 558 CG ASP A 40 -0.496 -14.667 8.139 1.00 0.00 C ATOM 559 OD1 ASP A 40 0.031 -14.326 9.219 1.00 0.00 O ATOM 560 OD2 ASP A 40 -1.106 -15.746 7.985 1.00 0.00 O ATOM 0 H ASP A 40 -0.230 -11.573 5.704 1.00 0.00 H new ATOM 0 HA ASP A 40 0.994 -12.563 8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.306 -13.136 6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.311 -14.305 6.038 1.00 0.00 H new ATOM 565 N ASP A 41 2.277 -13.247 5.193 1.00 0.00 N ATOM 566 CA ASP A 41 3.430 -13.830 4.517 1.00 0.00 C ATOM 567 C ASP A 41 3.793 -13.028 3.272 1.00 0.00 C ATOM 568 O ASP A 41 3.063 -13.036 2.282 1.00 0.00 O ATOM 569 CB ASP A 41 3.144 -15.284 4.136 1.00 0.00 C ATOM 570 CG ASP A 41 3.444 -16.248 5.267 1.00 0.00 C ATOM 571 OD1 ASP A 41 2.598 -16.380 6.176 1.00 0.00 O ATOM 572 OD2 ASP A 41 4.526 -16.872 5.242 1.00 0.00 O ATOM 0 H ASP A 41 1.677 -12.683 4.592 1.00 0.00 H new ATOM 0 HA ASP A 41 4.275 -13.802 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.098 -15.382 3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.742 -15.553 3.265 1.00 0.00 H new ATOM 577 N GLU A 42 4.926 -12.334 3.330 1.00 0.00 N ATOM 578 CA GLU A 42 5.384 -11.525 2.207 1.00 0.00 C ATOM 579 C GLU A 42 6.613 -12.150 1.552 1.00 0.00 C ATOM 580 O GLU A 42 7.385 -11.468 0.878 1.00 0.00 O ATOM 581 CB GLU A 42 5.709 -10.104 2.673 1.00 0.00 C ATOM 582 CG GLU A 42 6.926 -10.023 3.578 1.00 0.00 C ATOM 583 CD GLU A 42 7.509 -8.625 3.649 1.00 0.00 C ATOM 584 OE1 GLU A 42 7.411 -7.889 2.645 1.00 0.00 O ATOM 585 OE2 GLU A 42 8.063 -8.267 4.710 1.00 0.00 O ATOM 0 H GLU A 42 5.543 -12.316 4.142 1.00 0.00 H new ATOM 0 HA GLU A 42 4.582 -11.484 1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.874 -9.473 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.846 -9.698 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.650 -10.349 4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.689 -10.713 3.217 1.00 0.00 H new ATOM 592 N PHE A 43 6.786 -13.452 1.754 1.00 0.00 N ATOM 593 CA PHE A 43 7.921 -14.169 1.184 1.00 0.00 C ATOM 594 C PHE A 43 7.654 -14.541 -0.271 1.00 0.00 C ATOM 595 O PHE A 43 8.533 -14.423 -1.125 1.00 0.00 O ATOM 596 CB PHE A 43 8.214 -15.431 1.999 1.00 0.00 C ATOM 597 CG PHE A 43 7.997 -15.255 3.475 1.00 0.00 C ATOM 598 CD1 PHE A 43 8.491 -14.141 4.134 1.00 0.00 C ATOM 599 CD2 PHE A 43 7.298 -16.204 4.203 1.00 0.00 C ATOM 600 CE1 PHE A 43 8.293 -13.977 5.492 1.00 0.00 C ATOM 601 CE2 PHE A 43 7.097 -16.046 5.562 1.00 0.00 C ATOM 602 CZ PHE A 43 7.594 -14.930 6.206 1.00 0.00 C ATOM 0 H PHE A 43 6.155 -14.032 2.308 1.00 0.00 H new ATOM 0 HA PHE A 43 8.790 -13.511 1.219 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.579 -16.241 1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.246 -15.735 1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.037 -13.392 3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.906 -17.077 3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.684 -13.105 5.994 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.552 -16.794 6.119 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.436 -14.803 7.267 1.00 0.00 H new ATOM 612 N SER A 44 6.434 -14.992 -0.547 1.00 0.00 N ATOM 613 CA SER A 44 6.051 -15.386 -1.897 1.00 0.00 C ATOM 614 C SER A 44 5.838 -14.160 -2.781 1.00 0.00 C ATOM 615 O SER A 44 6.169 -14.171 -3.967 1.00 0.00 O ATOM 616 CB SER A 44 4.777 -16.232 -1.863 1.00 0.00 C ATOM 617 OG SER A 44 4.884 -17.276 -0.911 1.00 0.00 O ATOM 0 H SER A 44 5.694 -15.093 0.147 1.00 0.00 H new ATOM 0 HA SER A 44 6.861 -15.980 -2.319 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.923 -15.600 -1.620 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.590 -16.654 -2.851 1.00 0.00 H new ATOM 0 HG SER A 44 4.057 -17.801 -0.907 1.00 0.00 H new ATOM 623 N ILE A 45 5.283 -13.105 -2.194 1.00 0.00 N ATOM 624 CA ILE A 45 5.026 -11.871 -2.926 1.00 0.00 C ATOM 625 C ILE A 45 6.293 -11.361 -3.604 1.00 0.00 C ATOM 626 O ILE A 45 7.304 -11.113 -2.947 1.00 0.00 O ATOM 627 CB ILE A 45 4.474 -10.772 -2.000 1.00 0.00 C ATOM 628 CG1 ILE A 45 3.157 -11.223 -1.365 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.278 -9.477 -2.774 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.587 -10.225 -0.382 1.00 0.00 C ATOM 0 H ILE A 45 5.003 -13.080 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 45 4.279 -12.103 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 45 5.196 -10.592 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.426 -11.403 -2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.316 -12.173 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.887 -8.709 -2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.234 -9.150 -3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.572 -9.643 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.654 -10.611 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.300 -10.063 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.396 -9.281 -0.892 1.00 0.00 H new ATOM 642 N SER A 46 6.229 -11.203 -4.922 1.00 0.00 N ATOM 643 CA SER A 46 7.372 -10.723 -5.691 1.00 0.00 C ATOM 644 C SER A 46 7.714 -9.285 -5.314 1.00 0.00 C ATOM 645 O SER A 46 8.883 -8.935 -5.152 1.00 0.00 O ATOM 646 CB SER A 46 7.080 -10.814 -7.190 1.00 0.00 C ATOM 647 OG SER A 46 8.274 -10.996 -7.931 1.00 0.00 O ATOM 0 H SER A 46 5.398 -11.400 -5.480 1.00 0.00 H new ATOM 0 HA SER A 46 8.228 -11.355 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.399 -11.643 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.577 -9.906 -7.522 1.00 0.00 H new ATOM 0 HG SER A 46 8.061 -11.053 -8.886 1.00 0.00 H new ATOM 653 N SER A 47 6.685 -8.455 -5.177 1.00 0.00 N ATOM 654 CA SER A 47 6.875 -7.053 -4.823 1.00 0.00 C ATOM 655 C SER A 47 5.544 -6.396 -4.469 1.00 0.00 C ATOM 656 O SER A 47 4.478 -6.900 -4.822 1.00 0.00 O ATOM 657 CB SER A 47 7.537 -6.299 -5.978 1.00 0.00 C ATOM 658 OG SER A 47 6.734 -6.345 -7.144 1.00 0.00 O ATOM 0 H SER A 47 5.711 -8.729 -5.306 1.00 0.00 H new ATOM 0 HA SER A 47 7.525 -7.010 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.706 -5.261 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.514 -6.734 -6.188 1.00 0.00 H new ATOM 0 HG SER A 47 7.178 -5.855 -7.867 1.00 0.00 H new ATOM 664 N TYR A 48 5.616 -5.270 -3.770 1.00 0.00 N ATOM 665 CA TYR A 48 4.417 -4.544 -3.365 1.00 0.00 C ATOM 666 C TYR A 48 4.214 -3.303 -4.228 1.00 0.00 C ATOM 667 O TYR A 48 5.167 -2.758 -4.784 1.00 0.00 O ATOM 668 CB TYR A 48 4.511 -4.144 -1.891 1.00 0.00 C ATOM 669 CG TYR A 48 3.894 -5.153 -0.950 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.519 -5.347 -0.912 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.686 -5.913 -0.097 1.00 0.00 C ATOM 672 CE1 TYR A 48 1.950 -6.267 -0.053 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.126 -6.836 0.764 1.00 0.00 C ATOM 674 CZ TYR A 48 2.758 -7.010 0.783 1.00 0.00 C ATOM 675 OH TYR A 48 2.196 -7.928 1.641 1.00 0.00 O ATOM 0 H TYR A 48 6.491 -4.839 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 48 3.560 -5.204 -3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.559 -4.007 -1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.019 -3.182 -1.752 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.883 -4.768 -1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.758 -5.779 -0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.879 -6.404 -0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.756 -7.419 1.419 1.00 0.00 H new ATOM 0 HH TYR A 48 2.903 -8.367 2.159 1.00 0.00 H new ATOM 685 N GLU A 49 2.965 -2.862 -4.335 1.00 0.00 N ATOM 686 CA GLU A 49 2.636 -1.685 -5.131 1.00 0.00 C ATOM 687 C GLU A 49 1.889 -0.652 -4.291 1.00 0.00 C ATOM 688 O GLU A 49 0.931 -0.980 -3.590 1.00 0.00 O ATOM 689 CB GLU A 49 1.789 -2.082 -6.342 1.00 0.00 C ATOM 690 CG GLU A 49 1.882 -1.099 -7.497 1.00 0.00 C ATOM 691 CD GLU A 49 1.562 -1.738 -8.834 1.00 0.00 C ATOM 692 OE1 GLU A 49 2.036 -2.867 -9.081 1.00 0.00 O ATOM 693 OE2 GLU A 49 0.838 -1.109 -9.634 1.00 0.00 O ATOM 0 H GLU A 49 2.164 -3.302 -3.881 1.00 0.00 H new ATOM 0 HA GLU A 49 3.568 -1.240 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.103 -3.067 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.747 -2.170 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.195 -0.271 -7.321 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.887 -0.678 -7.531 1.00 0.00 H new ATOM 700 N LEU A 50 2.336 0.597 -4.367 1.00 0.00 N ATOM 701 CA LEU A 50 1.712 1.679 -3.614 1.00 0.00 C ATOM 702 C LEU A 50 0.922 2.601 -4.538 1.00 0.00 C ATOM 703 O LEU A 50 1.480 3.195 -5.460 1.00 0.00 O ATOM 704 CB LEU A 50 2.774 2.482 -2.861 1.00 0.00 C ATOM 705 CG LEU A 50 2.258 3.421 -1.771 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.834 2.632 -0.542 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.319 4.449 -1.406 1.00 0.00 C ATOM 0 H LEU A 50 3.128 0.885 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 50 1.022 1.237 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.476 1.782 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.336 3.072 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 50 1.386 3.949 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.470 3.318 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.040 1.936 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.688 2.076 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.934 5.109 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.210 3.938 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.574 5.037 -2.288 1.00 0.00 H new ATOM 719 N GLN A 51 -0.377 2.715 -4.283 1.00 0.00 N ATOM 720 CA GLN A 51 -1.242 3.565 -5.091 1.00 0.00 C ATOM 721 C GLN A 51 -1.805 4.715 -4.262 1.00 0.00 C ATOM 722 O GLN A 51 -2.502 4.496 -3.271 1.00 0.00 O ATOM 723 CB GLN A 51 -2.386 2.744 -5.689 1.00 0.00 C ATOM 724 CG GLN A 51 -1.927 1.460 -6.360 1.00 0.00 C ATOM 725 CD GLN A 51 -3.075 0.672 -6.960 1.00 0.00 C ATOM 726 OE1 GLN A 51 -4.238 1.059 -6.839 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.754 -0.440 -7.611 1.00 0.00 N ATOM 0 H GLN A 51 -0.853 2.229 -3.523 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.643 3.984 -5.900 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.097 2.498 -4.900 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.918 3.355 -6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.208 1.701 -7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.407 0.839 -5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.777 -0.723 -7.687 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.485 -1.011 -8.035 1.00 0.00 H new ATOM 736 N TYR A 52 -1.497 5.940 -4.673 1.00 0.00 N ATOM 737 CA TYR A 52 -1.970 7.125 -3.966 1.00 0.00 C ATOM 738 C TYR A 52 -2.583 8.130 -4.937 1.00 0.00 C ATOM 739 O TYR A 52 -2.158 8.240 -6.087 1.00 0.00 O ATOM 740 CB TYR A 52 -0.821 7.777 -3.196 1.00 0.00 C ATOM 741 CG TYR A 52 0.223 8.411 -4.088 1.00 0.00 C ATOM 742 CD1 TYR A 52 1.271 7.661 -4.606 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.159 9.760 -4.415 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.227 8.236 -5.421 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.110 10.344 -5.230 1.00 0.00 C ATOM 746 CZ TYR A 52 2.142 9.578 -5.730 1.00 0.00 C ATOM 747 OH TYR A 52 3.092 10.154 -6.542 1.00 0.00 O ATOM 0 H TYR A 52 -0.922 6.139 -5.492 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.740 6.813 -3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.227 8.537 -2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.342 7.025 -2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.340 6.610 -4.368 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.648 10.363 -4.025 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.036 7.638 -5.814 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.045 11.394 -5.474 1.00 0.00 H new ATOM 0 HH TYR A 52 2.650 10.683 -7.238 1.00 0.00 H new ATOM 757 N THR A 53 -3.585 8.864 -4.464 1.00 0.00 N ATOM 758 CA THR A 53 -4.258 9.860 -5.287 1.00 0.00 C ATOM 759 C THR A 53 -4.897 10.944 -4.427 1.00 0.00 C ATOM 760 O THR A 53 -5.363 10.676 -3.320 1.00 0.00 O ATOM 761 CB THR A 53 -5.343 9.218 -6.173 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.861 10.185 -7.092 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.475 8.661 -5.323 1.00 0.00 C ATOM 0 H THR A 53 -3.948 8.787 -3.514 1.00 0.00 H new ATOM 0 HA THR A 53 -3.496 10.308 -5.925 1.00 0.00 H new ATOM 0 HB THR A 53 -4.889 8.397 -6.728 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.549 9.768 -7.652 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.229 8.213 -5.970 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.082 7.903 -4.645 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.926 9.467 -4.744 1.00 0.00 H new ATOM 771 N ILE A 54 -4.915 12.169 -4.944 1.00 0.00 N ATOM 772 CA ILE A 54 -5.499 13.293 -4.222 1.00 0.00 C ATOM 773 C ILE A 54 -7.022 13.233 -4.251 1.00 0.00 C ATOM 774 O ILE A 54 -7.633 13.221 -5.320 1.00 0.00 O ATOM 775 CB ILE A 54 -5.037 14.639 -4.810 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.547 14.855 -4.539 1.00 0.00 C ATOM 777 CG2 ILE A 54 -5.858 15.780 -4.228 1.00 0.00 C ATOM 778 CD1 ILE A 54 -2.896 15.836 -5.489 1.00 0.00 C ATOM 0 H ILE A 54 -4.532 12.408 -5.859 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.155 13.219 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.191 14.620 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.420 15.212 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.031 13.897 -4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.520 16.725 -4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.911 15.630 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.732 15.803 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.840 15.940 -5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.991 15.470 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.386 16.806 -5.403 1.00 0.00 H new ATOM 790 N PHE A 55 -7.630 13.198 -3.070 1.00 0.00 N ATOM 791 CA PHE A 55 -9.083 13.141 -2.960 1.00 0.00 C ATOM 792 C PHE A 55 -9.646 14.480 -2.491 1.00 0.00 C ATOM 793 O PHE A 55 -9.543 14.833 -1.315 1.00 0.00 O ATOM 794 CB PHE A 55 -9.499 12.033 -1.990 1.00 0.00 C ATOM 795 CG PHE A 55 -10.974 11.751 -1.998 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.857 12.594 -1.342 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.478 10.645 -2.662 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.215 12.337 -1.348 1.00 0.00 C ATOM 799 CE2 PHE A 55 -12.835 10.383 -2.671 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.705 11.231 -2.014 1.00 0.00 C ATOM 0 H PHE A 55 -7.139 13.208 -2.176 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.489 12.922 -3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.961 11.119 -2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.196 12.312 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.480 13.461 -0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.803 9.979 -3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.893 13.001 -0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.215 9.516 -3.191 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.766 11.030 -2.021 1.00 0.00 H new ATOM 1050 N MET A 72 -1.482 7.672 -9.221 1.00 0.00 N ATOM 1051 CA MET A 72 -0.028 7.572 -9.168 1.00 0.00 C ATOM 1052 C MET A 72 0.404 6.328 -8.399 1.00 0.00 C ATOM 1053 O MET A 72 -0.004 6.121 -7.256 1.00 0.00 O ATOM 1054 CB MET A 72 0.567 8.822 -8.516 1.00 0.00 C ATOM 1055 CG MET A 72 0.516 10.054 -9.404 1.00 0.00 C ATOM 1056 SD MET A 72 0.353 11.583 -8.463 1.00 0.00 S ATOM 1057 CE MET A 72 -1.232 11.325 -7.669 1.00 0.00 C ATOM 0 HA MET A 72 0.343 7.492 -10.190 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.030 9.029 -7.590 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.604 8.622 -8.245 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.422 10.099 -10.008 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.323 9.965 -10.094 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.888 12.168 -7.885 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.683 10.408 -8.047 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.090 11.242 -6.591 1.00 0.00 H new ATOM 1067 N ILE A 73 1.231 5.503 -9.033 1.00 0.00 N ATOM 1068 CA ILE A 73 1.718 4.281 -8.407 1.00 0.00 C ATOM 1069 C ILE A 73 3.220 4.354 -8.153 1.00 0.00 C ATOM 1070 O ILE A 73 3.923 5.164 -8.756 1.00 0.00 O ATOM 1071 CB ILE A 73 1.415 3.045 -9.274 1.00 0.00 C ATOM 1072 CG1 ILE A 73 -0.013 3.116 -9.821 1.00 0.00 C ATOM 1073 CG2 ILE A 73 1.617 1.770 -8.469 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -1.045 3.462 -8.771 1.00 0.00 C ATOM 0 H ILE A 73 1.577 5.659 -9.980 1.00 0.00 H new ATOM 0 HA ILE A 73 1.195 4.184 -7.455 1.00 0.00 H new ATOM 0 HB ILE A 73 2.107 3.032 -10.116 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.052 3.860 -10.617 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.270 2.156 -10.269 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.399 0.905 -9.096 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.650 1.717 -8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.947 1.773 -7.609 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.033 3.495 -9.229 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.034 2.705 -7.987 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.813 4.436 -8.339 1.00 0.00 H new ATOM 1086 N VAL A 74 3.705 3.500 -7.258 1.00 0.00 N ATOM 1087 CA VAL A 74 5.125 3.465 -6.926 1.00 0.00 C ATOM 1088 C VAL A 74 5.642 2.032 -6.875 1.00 0.00 C ATOM 1089 O VAL A 74 5.644 1.383 -5.828 1.00 0.00 O ATOM 1090 CB VAL A 74 5.402 4.147 -5.573 1.00 0.00 C ATOM 1091 CG1 VAL A 74 6.871 4.020 -5.201 1.00 0.00 C ATOM 1092 CG2 VAL A 74 4.980 5.608 -5.618 1.00 0.00 C ATOM 0 H VAL A 74 3.136 2.823 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 74 5.647 4.009 -7.713 1.00 0.00 H new ATOM 0 HB VAL A 74 4.813 3.645 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.047 4.508 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.138 2.966 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.483 4.495 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.183 6.075 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.541 6.125 -6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.914 5.672 -5.835 1.00 0.00 H new ATOM 1102 N PRO A 75 6.093 1.524 -8.031 1.00 0.00 N ATOM 1103 CA PRO A 75 6.623 0.162 -8.145 1.00 0.00 C ATOM 1104 C PRO A 75 7.964 0.001 -7.438 1.00 0.00 C ATOM 1105 O PRO A 75 8.522 0.966 -6.917 1.00 0.00 O ATOM 1106 CB PRO A 75 6.787 -0.031 -9.654 1.00 0.00 C ATOM 1107 CG PRO A 75 6.953 1.347 -10.196 1.00 0.00 C ATOM 1108 CD PRO A 75 6.121 2.240 -9.317 1.00 0.00 C ATOM 0 HA PRO A 75 5.966 -0.571 -7.678 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.653 -0.653 -9.882 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.917 -0.525 -10.087 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.000 1.649 -10.180 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.621 1.401 -11.233 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.565 3.230 -9.216 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.118 2.380 -9.721 1.00 0.00 H new ATOM 1116 N ASN A 76 8.478 -1.225 -7.424 1.00 0.00 N ATOM 1117 CA ASN A 76 9.755 -1.512 -6.781 1.00 0.00 C ATOM 1118 C ASN A 76 9.683 -1.236 -5.282 1.00 0.00 C ATOM 1119 O ASN A 76 10.489 -0.479 -4.741 1.00 0.00 O ATOM 1120 CB ASN A 76 10.867 -0.673 -7.413 1.00 0.00 C ATOM 1121 CG ASN A 76 11.096 -1.020 -8.871 1.00 0.00 C ATOM 1122 OD1 ASN A 76 10.580 -2.019 -9.371 1.00 0.00 O ATOM 1123 ND2 ASN A 76 11.874 -0.193 -9.561 1.00 0.00 N ATOM 0 H ASN A 76 8.029 -2.036 -7.851 1.00 0.00 H new ATOM 0 HA ASN A 76 9.979 -2.569 -6.927 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.613 0.384 -7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.792 -0.823 -6.857 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.064 -0.375 -10.546 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.281 0.624 -9.105 1.00 0.00 H new ATOM 1130 N ILE A 77 8.713 -1.856 -4.618 1.00 0.00 N ATOM 1131 CA ILE A 77 8.537 -1.678 -3.182 1.00 0.00 C ATOM 1132 C ILE A 77 8.847 -2.966 -2.427 1.00 0.00 C ATOM 1133 O ILE A 77 8.112 -3.949 -2.525 1.00 0.00 O ATOM 1134 CB ILE A 77 7.104 -1.229 -2.842 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.752 0.049 -3.605 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.958 -1.015 -1.342 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.370 0.579 -3.291 1.00 0.00 C ATOM 0 H ILE A 77 8.037 -2.486 -5.051 1.00 0.00 H new ATOM 0 HA ILE A 77 9.235 -0.901 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 77 6.411 -2.013 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.489 0.817 -3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.823 -0.145 -4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.940 -0.698 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.172 -1.947 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.658 -0.247 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.189 1.486 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.624 -0.172 -3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.300 0.805 -2.227 1.00 0.00 H new ATOM 1149 N LYS A 78 9.940 -2.955 -1.672 1.00 0.00 N ATOM 1150 CA LYS A 78 10.348 -4.120 -0.896 1.00 0.00 C ATOM 1151 C LYS A 78 10.373 -3.800 0.595 1.00 0.00 C ATOM 1152 O LYS A 78 11.286 -4.209 1.311 1.00 0.00 O ATOM 1153 CB LYS A 78 11.728 -4.603 -1.349 1.00 0.00 C ATOM 1154 CG LYS A 78 11.849 -4.776 -2.853 1.00 0.00 C ATOM 1155 CD LYS A 78 11.519 -6.197 -3.279 1.00 0.00 C ATOM 1156 CE LYS A 78 10.030 -6.370 -3.537 1.00 0.00 C ATOM 1157 NZ LYS A 78 9.301 -6.801 -2.313 1.00 0.00 N ATOM 0 H LYS A 78 10.560 -2.150 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 78 9.619 -4.912 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.481 -3.891 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.948 -5.554 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.178 -4.079 -3.355 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.862 -4.526 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.077 -6.446 -4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.838 -6.894 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.612 -5.430 -3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.882 -7.107 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.898 -7.748 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.960 -6.830 -1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.535 -6.127 -2.109 1.00 0.00 H new ATOM 1171 N GLN A 79 9.364 -3.067 1.055 1.00 0.00 N ATOM 1172 CA GLN A 79 9.272 -2.693 2.462 1.00 0.00 C ATOM 1173 C GLN A 79 7.836 -2.811 2.963 1.00 0.00 C ATOM 1174 O GLN A 79 6.915 -3.058 2.185 1.00 0.00 O ATOM 1175 CB GLN A 79 9.781 -1.266 2.666 1.00 0.00 C ATOM 1176 CG GLN A 79 9.020 -0.227 1.858 1.00 0.00 C ATOM 1177 CD GLN A 79 9.832 1.030 1.612 1.00 0.00 C ATOM 1178 OE1 GLN A 79 10.930 1.188 2.146 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.294 1.933 0.801 1.00 0.00 N ATOM 0 H GLN A 79 8.600 -2.721 0.475 1.00 0.00 H new ATOM 0 HA GLN A 79 9.895 -3.378 3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.713 -1.013 3.724 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.836 -1.223 2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.728 -0.659 0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.102 0.035 2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.381 1.761 0.380 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.794 2.799 0.599 1.00 0.00 H new ATOM 1188 N ASN A 80 7.653 -2.632 4.267 1.00 0.00 N ATOM 1189 CA ASN A 80 6.329 -2.719 4.872 1.00 0.00 C ATOM 1190 C ASN A 80 5.742 -1.329 5.098 1.00 0.00 C ATOM 1191 O ASN A 80 4.745 -1.171 5.804 1.00 0.00 O ATOM 1192 CB ASN A 80 6.401 -3.476 6.200 1.00 0.00 C ATOM 1193 CG ASN A 80 6.862 -4.910 6.023 1.00 0.00 C ATOM 1194 OD1 ASN A 80 8.011 -5.165 5.665 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.963 -5.855 6.275 1.00 0.00 N ATOM 0 H ASN A 80 8.405 -2.426 4.925 1.00 0.00 H new ATOM 0 HA ASN A 80 5.679 -3.262 4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.084 -2.958 6.874 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.419 -3.469 6.673 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.215 -6.838 6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.021 -5.597 6.570 1.00 0.00 H new ATOM 1202 N HIS A 81 6.367 -0.323 4.494 1.00 0.00 N ATOM 1203 CA HIS A 81 5.906 1.054 4.628 1.00 0.00 C ATOM 1204 C HIS A 81 6.670 1.977 3.683 1.00 0.00 C ATOM 1205 O HIS A 81 7.896 2.066 3.743 1.00 0.00 O ATOM 1206 CB HIS A 81 6.072 1.532 6.071 1.00 0.00 C ATOM 1207 CG HIS A 81 7.383 1.143 6.683 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.494 0.213 7.695 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.642 1.563 6.420 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.765 0.078 8.029 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.483 0.886 7.270 1.00 0.00 N ATOM 0 H HIS A 81 7.194 -0.436 3.907 1.00 0.00 H new ATOM 0 HA HIS A 81 4.849 1.085 4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.975 2.617 6.099 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.262 1.124 6.676 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.932 2.294 5.680 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.151 -0.581 8.793 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.497 0.990 7.309 1.00 0.00 H new ATOM 1220 N TYR A 82 5.937 2.661 2.811 1.00 0.00 N ATOM 1221 CA TYR A 82 6.545 3.574 1.851 1.00 0.00 C ATOM 1222 C TYR A 82 6.169 5.020 2.160 1.00 0.00 C ATOM 1223 O TYR A 82 4.989 5.365 2.234 1.00 0.00 O ATOM 1224 CB TYR A 82 6.112 3.215 0.428 1.00 0.00 C ATOM 1225 CG TYR A 82 6.785 4.049 -0.638 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.537 5.412 -0.742 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.669 3.474 -1.543 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.149 6.178 -1.715 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.287 4.232 -2.518 1.00 0.00 C ATOM 1230 CZ TYR A 82 8.023 5.583 -2.601 1.00 0.00 C ATOM 1231 OH TYR A 82 8.636 6.342 -3.572 1.00 0.00 O ATOM 0 H TYR A 82 4.921 2.600 2.750 1.00 0.00 H new ATOM 0 HA TYR A 82 7.628 3.475 1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.330 2.163 0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.032 3.336 0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.854 5.881 -0.050 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.876 2.416 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.944 7.236 -1.782 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.973 3.769 -3.212 1.00 0.00 H new ATOM 0 HH TYR A 82 9.221 5.771 -4.112 1.00 0.00 H new ATOM 1241 N THR A 83 7.181 5.862 2.340 1.00 0.00 N ATOM 1242 CA THR A 83 6.958 7.271 2.642 1.00 0.00 C ATOM 1243 C THR A 83 6.860 8.098 1.365 1.00 0.00 C ATOM 1244 O THR A 83 7.858 8.327 0.683 1.00 0.00 O ATOM 1245 CB THR A 83 8.086 7.841 3.523 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.356 6.949 4.611 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.707 9.211 4.066 1.00 0.00 C ATOM 0 H THR A 83 8.163 5.593 2.282 1.00 0.00 H new ATOM 0 HA THR A 83 6.015 7.333 3.185 1.00 0.00 H new ATOM 0 HB THR A 83 8.980 7.945 2.909 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.655 7.039 5.290 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.518 9.594 4.685 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.530 9.895 3.236 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.801 9.127 4.666 1.00 0.00 H new ATOM 1255 N VAL A 84 5.649 8.544 1.047 1.00 0.00 N ATOM 1256 CA VAL A 84 5.419 9.348 -0.148 1.00 0.00 C ATOM 1257 C VAL A 84 5.726 10.818 0.112 1.00 0.00 C ATOM 1258 O VAL A 84 5.018 11.488 0.864 1.00 0.00 O ATOM 1259 CB VAL A 84 3.966 9.217 -0.642 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.747 10.065 -1.886 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.625 7.760 -0.913 1.00 0.00 C ATOM 0 H VAL A 84 4.812 8.362 1.600 1.00 0.00 H new ATOM 0 HA VAL A 84 6.091 8.970 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 84 3.300 9.582 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.715 9.960 -2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.949 11.111 -1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.420 9.733 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.595 7.686 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.295 7.365 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.740 7.183 0.004 1.00 0.00 H new ATOM 1271 N HIS A 85 6.787 11.315 -0.516 1.00 0.00 N ATOM 1272 CA HIS A 85 7.188 12.708 -0.354 1.00 0.00 C ATOM 1273 C HIS A 85 6.709 13.552 -1.532 1.00 0.00 C ATOM 1274 O HIS A 85 6.589 13.060 -2.653 1.00 0.00 O ATOM 1275 CB HIS A 85 8.708 12.812 -0.223 1.00 0.00 C ATOM 1276 CG HIS A 85 9.208 12.546 1.164 1.00 0.00 C ATOM 1277 ND1 HIS A 85 9.774 13.520 1.959 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.224 11.409 1.896 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.118 12.993 3.120 1.00 0.00 C ATOM 1280 NE2 HIS A 85 9.794 11.712 3.108 1.00 0.00 N ATOM 0 H HIS A 85 7.384 10.774 -1.141 1.00 0.00 H new ATOM 0 HA HIS A 85 6.725 13.089 0.556 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.173 12.105 -0.910 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.024 13.809 -0.529 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.857 10.442 1.585 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.585 13.519 3.940 1.00 0.00 H new ATOM 0 HE2 HIS A 85 9.943 11.055 3.874 1.00 0.00 H new ATOM 1289 N GLY A 86 6.436 14.827 -1.268 1.00 0.00 N ATOM 1290 CA GLY A 86 5.972 15.718 -2.316 1.00 0.00 C ATOM 1291 C GLY A 86 4.460 15.799 -2.380 1.00 0.00 C ATOM 1292 O GLY A 86 3.878 15.833 -3.466 1.00 0.00 O ATOM 0 H GLY A 86 6.528 15.258 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.379 16.715 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.355 15.375 -3.277 1.00 0.00 H new ATOM 1296 N LEU A 87 3.820 15.828 -1.216 1.00 0.00 N ATOM 1297 CA LEU A 87 2.365 15.904 -1.145 1.00 0.00 C ATOM 1298 C LEU A 87 1.911 17.313 -0.776 1.00 0.00 C ATOM 1299 O LEU A 87 2.732 18.208 -0.580 1.00 0.00 O ATOM 1300 CB LEU A 87 1.832 14.900 -0.121 1.00 0.00 C ATOM 1301 CG LEU A 87 2.150 13.429 -0.395 1.00 0.00 C ATOM 1302 CD1 LEU A 87 1.892 12.587 0.844 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.331 12.917 -1.571 1.00 0.00 C ATOM 0 H LEU A 87 4.286 15.800 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 87 1.964 15.659 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.234 15.162 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.749 15.012 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 87 3.206 13.347 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.124 11.544 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.523 12.939 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.844 12.674 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.570 11.869 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.269 13.013 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.567 13.502 -2.460 1.00 0.00 H new ATOM 1315 N GLN A 88 0.598 17.500 -0.682 1.00 0.00 N ATOM 1316 CA GLN A 88 0.035 18.800 -0.336 1.00 0.00 C ATOM 1317 C GLN A 88 -0.349 18.851 1.140 1.00 0.00 C ATOM 1318 O GLN A 88 -0.720 17.836 1.730 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.188 19.097 -1.204 1.00 0.00 C ATOM 1320 CG GLN A 88 -0.914 18.999 -2.696 1.00 0.00 C ATOM 1321 CD GLN A 88 0.256 19.859 -3.132 1.00 0.00 C ATOM 1322 OE1 GLN A 88 0.525 20.906 -2.543 1.00 0.00 O ATOM 1323 NE2 GLN A 88 0.958 19.421 -4.170 1.00 0.00 N ATOM 0 H GLN A 88 -0.095 16.768 -0.840 1.00 0.00 H new ATOM 0 HA GLN A 88 0.796 19.559 -0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.986 18.401 -0.943 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.551 20.099 -0.975 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.714 17.960 -2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.806 19.300 -3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.699 18.547 -4.628 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.756 19.958 -4.509 1.00 0.00 H new ATOM 1332 N SER A 89 -0.257 20.038 1.729 1.00 0.00 N ATOM 1333 CA SER A 89 -0.590 20.220 3.137 1.00 0.00 C ATOM 1334 C SER A 89 -2.099 20.354 3.325 1.00 0.00 C ATOM 1335 O SER A 89 -2.785 20.972 2.512 1.00 0.00 O ATOM 1336 CB SER A 89 0.116 21.458 3.695 1.00 0.00 C ATOM 1337 OG SER A 89 -0.072 22.577 2.846 1.00 0.00 O ATOM 0 H SER A 89 0.045 20.888 1.254 1.00 0.00 H new ATOM 0 HA SER A 89 -0.249 19.340 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.269 21.683 4.690 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.181 21.255 3.804 1.00 0.00 H new ATOM 0 HG SER A 89 0.387 23.356 3.225 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.608 19.768 4.404 1.00 0.00 N ATOM 1344 CA GLY A 90 -4.032 19.832 4.681 1.00 0.00 C ATOM 1345 C GLY A 90 -4.871 19.353 3.513 1.00 0.00 C ATOM 1346 O GLY A 90 -5.721 20.087 3.006 1.00 0.00 O ATOM 0 H GLY A 90 -2.060 19.250 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.256 19.225 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.306 20.858 4.925 1.00 0.00 H new ATOM 1350 N THR A 91 -4.633 18.119 3.081 1.00 0.00 N ATOM 1351 CA THR A 91 -5.371 17.544 1.964 1.00 0.00 C ATOM 1352 C THR A 91 -5.542 16.039 2.134 1.00 0.00 C ATOM 1353 O THR A 91 -4.636 15.351 2.606 1.00 0.00 O ATOM 1354 CB THR A 91 -4.666 17.820 0.623 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.464 19.228 0.457 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.484 17.280 -0.540 1.00 0.00 C ATOM 0 H THR A 91 -3.934 17.498 3.488 1.00 0.00 H new ATOM 0 HA THR A 91 -6.352 18.020 1.956 1.00 0.00 H new ATOM 0 HB THR A 91 -3.701 17.313 0.634 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.014 19.395 -0.397 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.966 17.487 -1.476 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.612 16.204 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.462 17.762 -0.552 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.708 15.532 1.746 1.00 0.00 N ATOM 1365 CA ARG A 92 -6.997 14.108 1.857 1.00 0.00 C ATOM 1366 C ARG A 92 -6.203 13.310 0.827 1.00 0.00 C ATOM 1367 O ARG A 92 -6.038 13.742 -0.315 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.494 13.853 1.671 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.316 14.114 2.922 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.723 13.550 2.792 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.696 14.325 3.557 1.00 0.00 N ATOM 1372 CZ ARG A 92 -13.005 14.290 3.331 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -13.494 13.520 2.368 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -13.827 15.024 4.069 1.00 0.00 N ATOM 0 H ARG A 92 -7.468 16.087 1.352 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.700 13.780 2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.864 14.486 0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.642 12.819 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.821 13.666 3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.369 15.187 3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.014 13.539 1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.732 12.516 3.136 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.352 14.926 4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.865 12.953 1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.499 13.495 2.196 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.455 15.616 4.811 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.832 14.996 3.894 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.713 12.146 1.237 1.00 0.00 N ATOM 1389 CA TYR A 93 -4.933 11.290 0.351 1.00 0.00 C ATOM 1390 C TYR A 93 -5.282 9.820 0.568 1.00 0.00 C ATOM 1391 O TYR A 93 -5.105 9.284 1.662 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.437 11.510 0.581 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.856 12.635 -0.246 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.835 13.938 0.235 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.330 12.394 -1.509 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -2.306 14.969 -0.517 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -1.798 13.419 -2.268 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.788 14.704 -1.768 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.261 15.728 -2.521 1.00 0.00 O ATOM 0 H TYR A 93 -5.842 11.773 2.178 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.178 11.555 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.268 11.721 1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.903 10.588 0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.239 14.149 1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.337 11.389 -1.904 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.298 15.976 -0.128 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.392 13.215 -3.248 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.731 15.354 -3.256 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.777 9.175 -0.482 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.149 7.768 -0.408 1.00 0.00 C ATOM 1411 C ILE A 94 -4.973 6.869 -0.772 1.00 0.00 C ATOM 1412 O ILE A 94 -4.218 7.161 -1.700 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.333 7.449 -1.341 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.551 8.294 -0.963 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.670 5.966 -1.280 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.748 8.063 -1.858 1.00 0.00 C ATOM 0 H ILE A 94 -5.930 9.604 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.446 7.574 0.622 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.048 7.695 -2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.830 8.074 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.277 9.348 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.508 5.756 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.804 5.383 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.939 5.696 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.574 8.695 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.486 8.311 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.048 7.017 -1.802 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.823 5.772 -0.036 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.739 4.829 -0.282 1.00 0.00 C ATOM 1430 C PHE A 95 -4.274 3.404 -0.398 1.00 0.00 C ATOM 1431 O PHE A 95 -5.098 2.972 0.408 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.703 4.907 0.841 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.031 6.246 0.945 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.574 7.250 1.729 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.855 6.501 0.257 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -1.958 8.484 1.827 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -0.234 7.732 0.351 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.787 8.725 1.136 1.00 0.00 C ATOM 0 H PHE A 95 -5.439 5.515 0.735 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.263 5.098 -1.225 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.189 4.679 1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.945 4.141 0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.490 7.067 2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.419 5.729 -0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.392 9.258 2.443 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.683 7.917 -0.189 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.304 9.688 1.209 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.799 2.681 -1.406 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.228 1.305 -1.627 1.00 0.00 C ATOM 1450 C ILE A 96 -3.042 0.406 -1.956 1.00 0.00 C ATOM 1451 O ILE A 96 -2.461 0.496 -3.038 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.259 1.214 -2.768 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.589 1.832 -2.332 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.455 -0.234 -3.190 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.456 2.277 -3.489 1.00 0.00 C ATOM 0 H ILE A 96 -3.117 3.024 -2.083 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.692 0.966 -0.701 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.883 1.774 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.139 1.105 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.389 2.688 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.186 -0.282 -3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.506 -0.644 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.813 -0.815 -2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.382 2.705 -3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -6.924 3.027 -4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.687 1.420 -4.121 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.687 -0.465 -1.016 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.572 -1.384 -1.207 1.00 0.00 C ATOM 1469 C VAL A 97 -2.005 -2.619 -1.989 1.00 0.00 C ATOM 1470 O VAL A 97 -3.058 -3.199 -1.722 1.00 0.00 O ATOM 1471 CB VAL A 97 -0.973 -1.828 0.141 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.032 -2.950 -0.065 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.329 -0.647 0.852 1.00 0.00 C ATOM 0 H VAL A 97 -3.156 -0.553 -0.115 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.813 -0.846 -1.774 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.779 -2.206 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.444 -3.250 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.464 -3.802 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.837 -2.603 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.089 -0.978 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.466 -0.237 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.080 0.122 1.034 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.186 -3.017 -2.957 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.482 -4.185 -3.779 1.00 0.00 C ATOM 1485 C LYS A 98 -0.346 -5.200 -3.711 1.00 0.00 C ATOM 1486 O LYS A 98 0.819 -4.855 -3.908 1.00 0.00 O ATOM 1487 CB LYS A 98 -1.720 -3.765 -5.231 1.00 0.00 C ATOM 1488 CG LYS A 98 -1.799 -4.934 -6.197 1.00 0.00 C ATOM 1489 CD LYS A 98 -1.249 -4.566 -7.565 1.00 0.00 C ATOM 1490 CE LYS A 98 -2.301 -3.875 -8.420 1.00 0.00 C ATOM 1491 NZ LYS A 98 -1.707 -3.263 -9.642 1.00 0.00 N ATOM 0 H LYS A 98 -0.311 -2.548 -3.192 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.386 -4.653 -3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.647 -3.194 -5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.916 -3.099 -5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.240 -5.778 -5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.836 -5.256 -6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.386 -3.911 -7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.899 -5.465 -8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.065 -4.596 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.798 -3.103 -7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.443 -2.744 -10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.949 -2.606 -9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.315 -4.011 -10.249 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.693 -6.452 -3.434 1.00 0.00 N ATOM 1506 CA ALA A 99 0.298 -7.517 -3.345 1.00 0.00 C ATOM 1507 C ALA A 99 0.344 -8.333 -4.632 1.00 0.00 C ATOM 1508 O ALA A 99 -0.598 -9.059 -4.952 1.00 0.00 O ATOM 1509 CB ALA A 99 -0.002 -8.419 -2.156 1.00 0.00 C ATOM 0 H ALA A 99 -1.653 -6.754 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 99 1.276 -7.058 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.746 -9.210 -2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.024 -7.832 -1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.991 -8.862 -2.276 1.00 0.00 H new ATOM 1515 N ILE A 100 1.445 -8.210 -5.366 1.00 0.00 N ATOM 1516 CA ILE A 100 1.613 -8.937 -6.618 1.00 0.00 C ATOM 1517 C ILE A 100 2.605 -10.084 -6.459 1.00 0.00 C ATOM 1518 O ILE A 100 3.705 -9.899 -5.940 1.00 0.00 O ATOM 1519 CB ILE A 100 2.096 -8.008 -7.748 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.137 -6.828 -7.913 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.223 -8.781 -9.052 1.00 0.00 C ATOM 1522 CD1 ILE A 100 1.814 -5.559 -8.381 1.00 0.00 C ATOM 0 H ILE A 100 2.234 -7.614 -5.115 1.00 0.00 H new ATOM 0 HA ILE A 100 0.635 -9.340 -6.883 1.00 0.00 H new ATOM 0 HB ILE A 100 3.079 -7.618 -7.482 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.359 -7.100 -8.627 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.643 -6.636 -6.961 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.565 -8.111 -9.840 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.942 -9.591 -8.927 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.253 -9.196 -9.325 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.073 -4.765 -8.476 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.573 -5.263 -7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.285 -5.733 -9.349 1.00 0.00 H new ATOM 1534 N ASN A 101 2.209 -11.269 -6.912 1.00 0.00 N ATOM 1535 CA ASN A 101 3.064 -12.447 -6.821 1.00 0.00 C ATOM 1536 C ASN A 101 3.029 -13.246 -8.120 1.00 0.00 C ATOM 1537 O ASN A 101 2.415 -12.827 -9.101 1.00 0.00 O ATOM 1538 CB ASN A 101 2.625 -13.332 -5.653 1.00 0.00 C ATOM 1539 CG ASN A 101 1.179 -13.773 -5.772 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.332 -13.031 -6.270 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.890 -14.985 -5.314 1.00 0.00 N ATOM 0 H ASN A 101 1.302 -11.439 -7.346 1.00 0.00 H new ATOM 0 HA ASN A 101 4.087 -12.111 -6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.267 -14.211 -5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.760 -12.788 -4.718 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.066 -15.336 -5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.624 -15.566 -4.909 1.00 0.00 H new ATOM 1548 N GLN A 102 3.691 -14.399 -8.118 1.00 0.00 N ATOM 1549 CA GLN A 102 3.735 -15.256 -9.296 1.00 0.00 C ATOM 1550 C GLN A 102 2.328 -15.581 -9.786 1.00 0.00 C ATOM 1551 O GLN A 102 2.079 -15.645 -10.989 1.00 0.00 O ATOM 1552 CB GLN A 102 4.491 -16.549 -8.984 1.00 0.00 C ATOM 1553 CG GLN A 102 4.061 -17.727 -9.842 1.00 0.00 C ATOM 1554 CD GLN A 102 4.928 -18.952 -9.628 1.00 0.00 C ATOM 1555 OE1 GLN A 102 5.844 -19.222 -10.404 1.00 0.00 O ATOM 1556 NE2 GLN A 102 4.642 -19.702 -8.570 1.00 0.00 N ATOM 0 H GLN A 102 4.204 -14.760 -7.314 1.00 0.00 H new ATOM 0 HA GLN A 102 4.259 -14.718 -10.086 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.558 -16.379 -9.124 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.344 -16.802 -7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.024 -17.977 -9.617 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.098 -17.439 -10.893 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.873 -19.441 -7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.191 -20.539 -8.375 1.00 0.00 H new ATOM 1565 N ALA A 103 1.412 -15.787 -8.845 1.00 0.00 N ATOM 1566 CA ALA A 103 0.030 -16.104 -9.181 1.00 0.00 C ATOM 1567 C ALA A 103 -0.670 -14.906 -9.812 1.00 0.00 C ATOM 1568 O ALA A 103 -0.928 -14.888 -11.015 1.00 0.00 O ATOM 1569 CB ALA A 103 -0.722 -16.565 -7.941 1.00 0.00 C ATOM 0 H ALA A 103 1.603 -15.740 -7.844 1.00 0.00 H new ATOM 0 HA ALA A 103 0.036 -16.914 -9.911 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.753 -16.798 -8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.242 -17.455 -7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.711 -15.772 -7.193 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.978 -13.906 -8.992 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.647 -12.718 -9.489 1.00 0.00 C ATOM 1577 C GLY A 104 -1.448 -11.519 -8.583 1.00 0.00 C ATOM 1578 O GLY A 104 -0.355 -11.302 -8.059 1.00 0.00 O ATOM 0 H GLY A 104 -0.776 -13.897 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.272 -12.483 -10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.713 -12.920 -9.590 1.00 0.00 H new ATOM 1582 N SER A 105 -2.507 -10.737 -8.398 1.00 0.00 N ATOM 1583 CA SER A 105 -2.443 -9.550 -7.553 1.00 0.00 C ATOM 1584 C SER A 105 -3.723 -9.393 -6.738 1.00 0.00 C ATOM 1585 O SER A 105 -4.788 -9.863 -7.139 1.00 0.00 O ATOM 1586 CB SER A 105 -2.212 -8.302 -8.407 1.00 0.00 C ATOM 1587 OG SER A 105 -3.095 -8.272 -9.515 1.00 0.00 O ATOM 0 H SER A 105 -3.420 -10.904 -8.822 1.00 0.00 H new ATOM 0 HA SER A 105 -1.607 -9.670 -6.864 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.356 -7.409 -7.799 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.181 -8.284 -8.759 1.00 0.00 H new ATOM 0 HG SER A 105 -2.929 -7.464 -10.044 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.610 -8.728 -5.593 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.758 -8.510 -4.721 1.00 0.00 C ATOM 1595 C ARG A 106 -4.754 -7.089 -4.164 1.00 0.00 C ATOM 1596 O ARG A 106 -3.972 -6.764 -3.271 1.00 0.00 O ATOM 1597 CB ARG A 106 -4.751 -9.519 -3.572 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.036 -9.526 -2.759 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.202 -10.078 -3.566 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.471 -9.939 -2.857 1.00 0.00 N ATOM 1601 CZ ARG A 106 -8.891 -10.790 -1.928 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -8.146 -11.835 -1.596 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -10.058 -10.596 -1.328 1.00 0.00 N ATOM 0 H ARG A 106 -2.736 -8.331 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.664 -8.649 -5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.582 -10.517 -3.977 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.914 -9.297 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.896 -10.127 -1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.266 -8.512 -2.431 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.261 -9.556 -4.521 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.024 -11.130 -3.788 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.068 -9.145 -3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.248 -11.987 -2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.471 -12.487 -0.882 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.634 -9.793 -1.580 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.380 -11.250 -0.615 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.633 -6.247 -4.698 1.00 0.00 N ATOM 1618 CA ASN A 107 -5.730 -4.861 -4.255 1.00 0.00 C ATOM 1619 C ASN A 107 -6.524 -4.760 -2.956 1.00 0.00 C ATOM 1620 O ASN A 107 -7.615 -5.316 -2.838 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.390 -4.003 -5.336 1.00 0.00 C ATOM 1622 CG ASN A 107 -7.846 -4.368 -5.556 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -8.159 -5.460 -6.031 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -8.743 -3.453 -5.210 1.00 0.00 N ATOM 0 H ASN A 107 -6.288 -6.500 -5.438 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.720 -4.492 -4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.320 -2.952 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.844 -4.119 -6.272 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.738 -3.641 -5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.438 -2.561 -4.820 1.00 0.00 H new ATOM 1631 N SER A 108 -5.967 -4.045 -1.983 1.00 0.00 N ATOM 1632 CA SER A 108 -6.620 -3.873 -0.691 1.00 0.00 C ATOM 1633 C SER A 108 -7.636 -2.736 -0.743 1.00 0.00 C ATOM 1634 O SER A 108 -7.752 -2.040 -1.751 1.00 0.00 O ATOM 1635 CB SER A 108 -5.581 -3.595 0.397 1.00 0.00 C ATOM 1636 OG SER A 108 -4.958 -2.337 0.198 1.00 0.00 O ATOM 0 H SER A 108 -5.065 -3.576 -2.065 1.00 0.00 H new ATOM 0 HA SER A 108 -7.147 -4.797 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.060 -3.616 1.376 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.827 -4.382 0.394 1.00 0.00 H new ATOM 0 HG SER A 108 -4.249 -2.425 -0.473 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.368 -2.554 0.352 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.375 -1.502 0.431 1.00 0.00 C ATOM 1644 C GLU A 109 -8.719 -0.128 0.526 1.00 0.00 C ATOM 1645 O GLU A 109 -7.613 0.026 1.045 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.288 -1.729 1.638 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.172 -2.958 1.510 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.401 -2.887 2.395 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -12.238 -2.767 3.628 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -13.526 -2.951 1.856 1.00 0.00 O ATOM 0 H GLU A 109 -8.283 -3.121 1.196 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.973 -1.537 -0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.675 -1.825 2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.919 -0.851 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.483 -3.071 0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.594 -3.845 1.768 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.416 0.897 0.013 1.00 0.00 N ATOM 1658 CA PRO A 110 -8.922 2.277 0.027 1.00 0.00 C ATOM 1659 C PRO A 110 -8.898 2.869 1.432 1.00 0.00 C ATOM 1660 O PRO A 110 -9.933 2.972 2.092 1.00 0.00 O ATOM 1661 CB PRO A 110 -9.929 3.023 -0.851 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.179 2.218 -0.762 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.741 0.787 -0.621 1.00 0.00 C ATOM 0 HA PRO A 110 -7.894 2.346 -0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.087 4.041 -0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.578 3.097 -1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.782 2.527 0.091 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.794 2.352 -1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.434 0.213 -0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.684 0.287 -1.588 1.00 0.00 H new ATOM 1671 N THR A 111 -7.710 3.258 1.885 1.00 0.00 N ATOM 1672 CA THR A 111 -7.552 3.840 3.212 1.00 0.00 C ATOM 1673 C THR A 111 -7.466 5.360 3.139 1.00 0.00 C ATOM 1674 O THR A 111 -6.445 5.915 2.732 1.00 0.00 O ATOM 1675 CB THR A 111 -6.293 3.299 3.916 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.358 1.871 4.007 1.00 0.00 O ATOM 1677 CG2 THR A 111 -6.152 3.896 5.308 1.00 0.00 C ATOM 0 H THR A 111 -6.844 3.180 1.352 1.00 0.00 H new ATOM 0 HA THR A 111 -8.432 3.556 3.789 1.00 0.00 H new ATOM 0 HB THR A 111 -5.422 3.585 3.326 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.491 1.609 4.942 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.256 3.499 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 111 -6.073 4.980 5.232 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.026 3.637 5.905 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.543 6.029 3.538 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.589 7.486 3.517 1.00 0.00 C ATOM 1687 C ARG A 112 -7.725 8.073 4.630 1.00 0.00 C ATOM 1688 O ARG A 112 -7.872 7.714 5.799 1.00 0.00 O ATOM 1689 CB ARG A 112 -10.031 7.974 3.665 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.833 7.903 2.376 1.00 0.00 C ATOM 1691 CD ARG A 112 -11.930 8.956 2.344 1.00 0.00 C ATOM 1692 NE ARG A 112 -12.867 8.803 3.453 1.00 0.00 N ATOM 1693 CZ ARG A 112 -14.097 9.307 3.451 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -14.535 9.991 2.404 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.891 9.126 4.499 1.00 0.00 N ATOM 0 H ARG A 112 -9.395 5.585 3.880 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.195 7.823 2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.531 7.377 4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.022 9.004 4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.168 8.043 1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.275 6.912 2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.481 9.949 2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.471 8.888 1.400 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.561 8.281 4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.928 10.132 1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.479 10.376 2.405 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.557 8.600 5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.835 9.513 4.497 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.825 8.976 4.259 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.937 9.613 5.225 1.00 0.00 C ATOM 1711 C LEU A 113 -5.909 11.125 5.026 1.00 0.00 C ATOM 1712 O LEU A 113 -6.239 11.626 3.950 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.522 9.045 5.099 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.376 7.544 5.355 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.953 7.090 5.068 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.768 7.207 6.786 1.00 0.00 C ATOM 0 H LEU A 113 -6.691 9.284 3.296 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.319 9.404 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.154 9.260 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.875 9.577 5.797 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.048 7.012 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.868 6.020 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.708 7.296 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.262 7.628 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.658 6.135 6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.122 7.748 7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.805 7.496 6.957 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.513 11.847 6.068 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.438 13.302 6.008 1.00 0.00 C ATOM 1730 C LYS A 114 -4.107 13.802 6.559 1.00 0.00 C ATOM 1731 O LYS A 114 -3.611 13.298 7.568 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.594 13.925 6.794 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.838 14.166 5.956 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.835 15.054 6.683 1.00 0.00 C ATOM 1735 CE LYS A 114 -8.391 16.508 6.682 1.00 0.00 C ATOM 1736 NZ LYS A 114 -9.318 17.372 7.464 1.00 0.00 N ATOM 0 H LYS A 114 -5.239 11.448 6.966 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.513 13.602 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.849 13.272 7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.264 14.872 7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.557 14.630 5.011 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.307 13.212 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.812 14.971 6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.950 14.708 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.387 16.581 7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.336 16.870 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.980 18.355 7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.271 17.322 7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.351 17.043 8.450 1.00 0.00 H new ATOM 1750 N THR A 115 -3.532 14.797 5.892 1.00 0.00 N ATOM 1751 CA THR A 115 -2.258 15.366 6.315 1.00 0.00 C ATOM 1752 C THR A 115 -2.462 16.447 7.370 1.00 0.00 C ATOM 1753 O THR A 115 -3.593 16.822 7.678 1.00 0.00 O ATOM 1754 CB THR A 115 -1.487 15.965 5.124 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.326 16.877 4.406 1.00 0.00 O ATOM 1756 CG2 THR A 115 -1.001 14.870 4.187 1.00 0.00 C ATOM 0 H THR A 115 -3.928 15.226 5.056 1.00 0.00 H new ATOM 0 HA THR A 115 -1.674 14.551 6.743 1.00 0.00 H new ATOM 0 HB THR A 115 -0.620 16.499 5.513 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.863 17.180 3.597 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.459 15.318 3.354 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.339 14.195 4.729 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.856 14.311 3.806 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.360 16.946 7.920 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.418 17.985 8.942 1.00 0.00 C ATOM 1766 C ASN A 116 -1.466 19.371 8.305 1.00 0.00 C ATOM 1767 O ASN A 116 -0.961 19.576 7.201 1.00 0.00 O ATOM 1768 CB ASN A 116 -0.210 17.882 9.874 1.00 0.00 C ATOM 1769 CG ASN A 116 -0.178 16.570 10.636 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -1.215 15.946 10.862 1.00 0.00 O ATOM 1771 ND2 ASN A 116 1.015 16.147 11.035 1.00 0.00 N ATOM 0 H ASN A 116 -0.416 16.648 7.675 1.00 0.00 H new ATOM 0 HA ASN A 116 -2.329 17.838 9.522 1.00 0.00 H new ATOM 0 HB2 ASN A 116 0.705 17.983 9.291 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -0.229 18.710 10.582 1.00 0.00 H new ATOM 0 HD21 ASN A 116 1.099 15.272 11.552 1.00 0.00 H new ATOM 0 HD22 ASN A 116 1.848 16.697 10.825 1.00 0.00 H new