USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 560 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 Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.164 F(o=-1.7!,f=-0.16) USER MOD Single : A 23 ASN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0573 K(o=-0.057,f=-1.1) USER MOD Single : A 31 SER OG : rot 130:sc= 0.522 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.962 K(o=0.96,f=-5.6!) USER MOD Single : A 44 THR OG1 : rot 19:sc= 0.798 USER MOD Single : A 48 THR OG1 : rot 54:sc= -1.68! USER MOD Single : A 49 SER OG : rot 112:sc= 0.899 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.624 K(o=-0.62,f=-5.6!) USER MOD Single : A 67 GLN : amide:sc= 0.977 K(o=0.98,f=0) USER MOD Single : A 69 MET CE :methyl -109:sc= -1.32 (180deg=-1.77) USER MOD Single : B 81 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 84 MET CE :methyl 178:sc= -0.118 (180deg=-0.144) USER MOD Single : B 85 GLN : amide:sc= -0.867 K(o=-0.87,f=-5.5!) USER MOD Single : B 86 HIS : +bothHN:sc= 0.407 K(o=0.41,f=-8.8!) USER MOD Single : B 90 HIS : no HD1:sc= -0.383 X(o=-0.38,f=0.053) USER MOD Single : B 93 GLN : amide:sc= 1.01 K(o=1,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.772 9.501 -3.078 1.00 0.00 N ATOM 169 CA VAL A 12 -0.283 8.917 -1.810 1.00 0.00 C ATOM 170 C VAL A 12 1.222 9.092 -1.580 1.00 0.00 C ATOM 171 O VAL A 12 1.806 8.394 -0.749 1.00 0.00 O ATOM 172 CB VAL A 12 -0.657 7.417 -1.653 1.00 0.00 C ATOM 173 CG1 VAL A 12 -2.145 7.221 -1.836 1.00 0.00 C ATOM 174 CG2 VAL A 12 0.115 6.524 -2.611 1.00 0.00 C ATOM 0 HA VAL A 12 -0.802 9.494 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.377 7.122 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.390 6.165 -1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.683 7.800 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.436 7.556 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.183 5.486 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.102 6.819 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.184 6.626 -2.422 1.00 0.00 H new ATOM 184 N GLY A 13 1.841 10.036 -2.283 1.00 0.00 N ATOM 185 CA GLY A 13 3.275 10.229 -2.155 1.00 0.00 C ATOM 186 C GLY A 13 4.051 9.034 -2.668 1.00 0.00 C ATOM 187 O GLY A 13 5.194 8.798 -2.270 1.00 0.00 O ATOM 0 H GLY A 13 1.378 10.668 -2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.573 11.120 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.526 10.404 -1.109 1.00 0.00 H new ATOM 191 N TRP A 14 3.417 8.279 -3.551 1.00 0.00 N ATOM 192 CA TRP A 14 4.002 7.075 -4.107 1.00 0.00 C ATOM 193 C TRP A 14 4.986 7.416 -5.220 1.00 0.00 C ATOM 194 O TRP A 14 4.684 8.205 -6.117 1.00 0.00 O ATOM 195 CB TRP A 14 2.883 6.165 -4.633 1.00 0.00 C ATOM 196 CG TRP A 14 3.347 5.025 -5.493 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.833 3.821 -5.076 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.350 4.985 -6.924 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.146 3.038 -6.162 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.857 3.731 -7.307 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.976 5.892 -7.920 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.996 3.359 -8.642 1.00 0.00 C ATOM 203 CZ3 TRP A 14 3.112 5.522 -9.244 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.618 4.266 -9.594 1.00 0.00 C ATOM 0 H TRP A 14 2.482 8.486 -3.901 1.00 0.00 H new ATOM 0 HA TRP A 14 4.554 6.552 -3.326 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.334 5.760 -3.783 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.181 6.771 -5.206 1.00 0.00 H new ATOM 0 HD1 TRP A 14 3.954 3.526 -4.044 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.531 2.094 -6.121 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.587 6.865 -7.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.388 2.390 -8.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.823 6.214 -10.021 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.712 4.007 -10.638 1.00 0.00 H new ATOM 215 N ASP A 15 6.168 6.834 -5.140 1.00 0.00 N ATOM 216 CA ASP A 15 7.166 6.975 -6.184 1.00 0.00 C ATOM 217 C ASP A 15 7.200 5.715 -7.035 1.00 0.00 C ATOM 218 O ASP A 15 7.198 4.602 -6.519 1.00 0.00 O ATOM 219 CB ASP A 15 8.547 7.247 -5.579 1.00 0.00 C ATOM 220 CG ASP A 15 9.657 7.212 -6.611 1.00 0.00 C ATOM 221 OD1 ASP A 15 10.220 6.121 -6.840 1.00 0.00 O ATOM 222 OD2 ASP A 15 9.971 8.272 -7.195 1.00 0.00 O ATOM 0 H ASP A 15 6.462 6.254 -4.355 1.00 0.00 H new ATOM 0 HA ASP A 15 6.898 7.824 -6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.540 8.222 -5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.752 6.507 -4.806 1.00 0.00 H new ATOM 227 N PRO A 16 7.211 5.905 -8.362 1.00 0.00 N ATOM 228 CA PRO A 16 7.181 4.821 -9.354 1.00 0.00 C ATOM 229 C PRO A 16 8.167 3.686 -9.075 1.00 0.00 C ATOM 230 O PRO A 16 7.896 2.536 -9.421 1.00 0.00 O ATOM 231 CB PRO A 16 7.559 5.529 -10.655 1.00 0.00 C ATOM 232 CG PRO A 16 7.113 6.937 -10.471 1.00 0.00 C ATOM 233 CD PRO A 16 7.236 7.233 -9.001 1.00 0.00 C ATOM 0 HA PRO A 16 6.207 4.332 -9.361 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.633 5.476 -10.836 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.068 5.068 -11.512 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.729 7.619 -11.057 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.085 7.066 -10.808 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.161 7.765 -8.778 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.415 7.859 -8.651 1.00 0.00 H new ATOM 241 N GLN A 17 9.311 4.011 -8.477 1.00 0.00 N ATOM 242 CA GLN A 17 10.351 3.019 -8.236 1.00 0.00 C ATOM 243 C GLN A 17 10.422 2.599 -6.767 1.00 0.00 C ATOM 244 O GLN A 17 10.462 1.409 -6.459 1.00 0.00 O ATOM 245 CB GLN A 17 11.703 3.554 -8.691 1.00 0.00 C ATOM 246 CG GLN A 17 11.708 4.023 -10.137 1.00 0.00 C ATOM 247 CD GLN A 17 13.057 4.548 -10.581 1.00 0.00 C ATOM 248 OE1 GLN A 17 13.828 5.078 -9.782 1.00 0.00 O ATOM 249 NE2 GLN A 17 13.346 4.414 -11.864 1.00 0.00 N ATOM 0 H GLN A 17 9.539 4.951 -8.152 1.00 0.00 H new ATOM 0 HA GLN A 17 10.093 2.133 -8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.993 4.383 -8.046 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.455 2.775 -8.566 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.415 3.195 -10.783 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.960 4.806 -10.263 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.678 3.968 -12.493 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.237 4.756 -12.225 1.00 0.00 H new ATOM 258 N ASN A 18 10.447 3.573 -5.862 1.00 0.00 N ATOM 259 CA ASN A 18 10.654 3.282 -4.438 1.00 0.00 C ATOM 260 C ASN A 18 9.349 3.199 -3.662 1.00 0.00 C ATOM 261 O ASN A 18 9.356 2.959 -2.455 1.00 0.00 O ATOM 262 CB ASN A 18 11.574 4.317 -3.798 1.00 0.00 C ATOM 263 CG ASN A 18 13.026 4.133 -4.192 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.429 2.888 -4.411 1.00 0.00 O flip ATOM 265 ND2 ASN A 18 13.782 5.096 -4.288 1.00 0.00 N flip ATOM 0 H ASN A 18 10.328 4.562 -6.081 1.00 0.00 H new ATOM 0 HA ASN A 18 11.127 2.301 -4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.247 5.316 -4.087 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.485 4.254 -2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.433 6.038 -4.111 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.759 4.954 -4.544 1.00 0.00 H new ATOM 272 N GLY A 19 8.241 3.419 -4.342 1.00 0.00 N ATOM 273 CA GLY A 19 6.944 3.211 -3.735 1.00 0.00 C ATOM 274 C GLY A 19 6.567 4.258 -2.706 1.00 0.00 C ATOM 275 O GLY A 19 6.727 5.457 -2.931 1.00 0.00 O ATOM 0 H GLY A 19 8.214 3.740 -5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.186 3.198 -4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.930 2.230 -3.261 1.00 0.00 H new ATOM 279 N PHE A 20 6.082 3.788 -1.571 1.00 0.00 N ATOM 280 CA PHE A 20 5.523 4.649 -0.536 1.00 0.00 C ATOM 281 C PHE A 20 6.609 5.224 0.359 1.00 0.00 C ATOM 282 O PHE A 20 7.612 4.569 0.644 1.00 0.00 O ATOM 283 CB PHE A 20 4.532 3.867 0.331 1.00 0.00 C ATOM 284 CG PHE A 20 3.299 3.411 -0.393 1.00 0.00 C ATOM 285 CD1 PHE A 20 3.294 2.215 -1.087 1.00 0.00 C ATOM 286 CD2 PHE A 20 2.149 4.183 -0.388 1.00 0.00 C ATOM 287 CE1 PHE A 20 2.167 1.795 -1.762 1.00 0.00 C ATOM 288 CE2 PHE A 20 1.018 3.766 -1.060 1.00 0.00 C ATOM 289 CZ PHE A 20 1.009 2.567 -1.715 1.00 0.00 C ATOM 0 H PHE A 20 6.063 2.795 -1.337 1.00 0.00 H new ATOM 0 HA PHE A 20 5.012 5.469 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.039 2.995 0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.234 4.491 1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.183 1.602 -1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.137 5.121 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.182 0.873 -2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.137 4.390 -1.068 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.106 2.219 -2.195 1.00 0.00 H new ATOM 299 N ASP A 21 6.399 6.453 0.794 1.00 0.00 N ATOM 300 CA ASP A 21 7.279 7.077 1.771 1.00 0.00 C ATOM 301 C ASP A 21 6.889 6.607 3.167 1.00 0.00 C ATOM 302 O ASP A 21 5.820 6.951 3.668 1.00 0.00 O ATOM 303 CB ASP A 21 7.184 8.597 1.680 1.00 0.00 C ATOM 304 CG ASP A 21 8.255 9.285 2.493 1.00 0.00 C ATOM 305 OD1 ASP A 21 9.372 9.469 1.980 1.00 0.00 O ATOM 306 OD2 ASP A 21 7.986 9.627 3.663 1.00 0.00 O ATOM 0 H ASP A 21 5.625 7.042 0.486 1.00 0.00 H new ATOM 0 HA ASP A 21 8.309 6.788 1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.269 8.903 0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.203 8.920 2.028 1.00 0.00 H new ATOM 311 N VAL A 22 7.758 5.822 3.791 1.00 0.00 N ATOM 312 CA VAL A 22 7.411 5.123 5.025 1.00 0.00 C ATOM 313 C VAL A 22 7.684 5.954 6.275 1.00 0.00 C ATOM 314 O VAL A 22 7.208 5.613 7.359 1.00 0.00 O ATOM 315 CB VAL A 22 8.145 3.770 5.143 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.691 2.816 4.050 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.655 3.954 5.096 1.00 0.00 C ATOM 0 H VAL A 22 8.709 5.652 3.464 1.00 0.00 H new ATOM 0 HA VAL A 22 6.337 4.946 4.964 1.00 0.00 H new ATOM 0 HB VAL A 22 7.890 3.337 6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.220 1.869 4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.618 2.644 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.908 3.251 3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.143 2.983 5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.936 4.419 4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.970 4.592 5.922 1.00 0.00 H new ATOM 327 N ASN A 23 8.446 7.032 6.142 1.00 0.00 N ATOM 328 CA ASN A 23 8.685 7.912 7.279 1.00 0.00 C ATOM 329 C ASN A 23 7.586 8.964 7.361 1.00 0.00 C ATOM 330 O ASN A 23 7.359 9.562 8.412 1.00 0.00 O ATOM 331 CB ASN A 23 10.077 8.568 7.222 1.00 0.00 C ATOM 332 CG ASN A 23 10.263 9.526 6.062 1.00 0.00 C ATOM 333 OD1 ASN A 23 10.685 9.127 4.978 1.00 0.00 O ATOM 334 ND2 ASN A 23 9.989 10.801 6.291 1.00 0.00 N ATOM 0 H ASN A 23 8.902 7.315 5.275 1.00 0.00 H new ATOM 0 HA ASN A 23 8.663 7.304 8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.252 9.105 8.154 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.833 7.786 7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.126 11.493 5.554 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.640 11.092 7.204 1.00 0.00 H new ATOM 341 N ASN A 24 6.897 9.174 6.247 1.00 0.00 N ATOM 342 CA ASN A 24 5.748 10.070 6.213 1.00 0.00 C ATOM 343 C ASN A 24 4.535 9.349 5.643 1.00 0.00 C ATOM 344 O ASN A 24 3.899 9.814 4.695 1.00 0.00 O ATOM 345 CB ASN A 24 6.052 11.327 5.394 1.00 0.00 C ATOM 346 CG ASN A 24 6.902 12.331 6.151 1.00 0.00 C ATOM 347 OD1 ASN A 24 6.800 12.462 7.373 1.00 0.00 O ATOM 348 ND2 ASN A 24 7.751 13.046 5.434 1.00 0.00 N ATOM 0 H ASN A 24 7.114 8.735 5.352 1.00 0.00 H new ATOM 0 HA ASN A 24 5.529 10.378 7.235 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.566 11.042 4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.115 11.799 5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.350 13.734 5.890 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.807 12.910 4.425 1.00 0.00 H new ATOM 355 N LEU A 25 4.235 8.196 6.222 1.00 0.00 N ATOM 356 CA LEU A 25 3.084 7.409 5.810 1.00 0.00 C ATOM 357 C LEU A 25 1.804 7.958 6.424 1.00 0.00 C ATOM 358 O LEU A 25 1.765 8.296 7.606 1.00 0.00 O ATOM 359 CB LEU A 25 3.272 5.941 6.201 1.00 0.00 C ATOM 360 CG LEU A 25 3.868 5.050 5.117 1.00 0.00 C ATOM 361 CD1 LEU A 25 4.154 3.669 5.673 1.00 0.00 C ATOM 362 CD2 LEU A 25 2.932 4.959 3.923 1.00 0.00 C ATOM 0 H LEU A 25 4.776 7.784 6.982 1.00 0.00 H new ATOM 0 HA LEU A 25 2.999 7.475 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.915 5.896 7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.304 5.533 6.493 1.00 0.00 H new ATOM 0 HG LEU A 25 4.806 5.493 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.579 3.042 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.862 3.748 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.227 3.222 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.376 4.319 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.978 4.538 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.770 5.955 3.511 1.00 0.00 H new ATOM 374 N ASP A 26 0.770 8.059 5.597 1.00 0.00 N ATOM 375 CA ASP A 26 -0.545 8.521 6.034 1.00 0.00 C ATOM 376 C ASP A 26 -1.092 7.624 7.138 1.00 0.00 C ATOM 377 O ASP A 26 -1.023 6.404 7.016 1.00 0.00 O ATOM 378 CB ASP A 26 -1.509 8.535 4.841 1.00 0.00 C ATOM 379 CG ASP A 26 -2.965 8.705 5.238 1.00 0.00 C ATOM 380 OD1 ASP A 26 -3.585 7.720 5.684 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.487 9.834 5.131 1.00 0.00 O ATOM 0 H ASP A 26 0.818 7.824 4.606 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.447 9.531 6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.228 9.344 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.399 7.604 4.285 1.00 0.00 H new ATOM 386 N PRO A 27 -1.608 8.212 8.232 1.00 0.00 N ATOM 387 CA PRO A 27 -2.088 7.460 9.401 1.00 0.00 C ATOM 388 C PRO A 27 -2.914 6.225 9.042 1.00 0.00 C ATOM 389 O PRO A 27 -2.607 5.112 9.488 1.00 0.00 O ATOM 390 CB PRO A 27 -2.946 8.488 10.134 1.00 0.00 C ATOM 391 CG PRO A 27 -2.305 9.794 9.820 1.00 0.00 C ATOM 392 CD PRO A 27 -1.754 9.668 8.422 1.00 0.00 C ATOM 0 HA PRO A 27 -1.261 7.058 9.987 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.980 8.460 9.791 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.961 8.300 11.208 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.028 10.607 9.881 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.511 10.019 10.532 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.430 10.102 7.685 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.799 10.183 8.321 1.00 0.00 H new ATOM 400 N ASP A 28 -3.938 6.416 8.215 1.00 0.00 N ATOM 401 CA ASP A 28 -4.840 5.330 7.853 1.00 0.00 C ATOM 402 C ASP A 28 -4.127 4.311 6.977 1.00 0.00 C ATOM 403 O ASP A 28 -4.267 3.105 7.183 1.00 0.00 O ATOM 404 CB ASP A 28 -6.090 5.851 7.132 1.00 0.00 C ATOM 405 CG ASP A 28 -6.983 6.694 8.020 1.00 0.00 C ATOM 406 OD1 ASP A 28 -7.507 6.163 9.023 1.00 0.00 O ATOM 407 OD2 ASP A 28 -7.153 7.898 7.736 1.00 0.00 O ATOM 0 H ASP A 28 -4.163 7.313 7.784 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.157 4.849 8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.784 6.442 6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.662 5.004 6.752 1.00 0.00 H new ATOM 412 N LEU A 29 -3.354 4.791 6.006 1.00 0.00 N ATOM 413 CA LEU A 29 -2.581 3.903 5.148 1.00 0.00 C ATOM 414 C LEU A 29 -1.585 3.095 5.972 1.00 0.00 C ATOM 415 O LEU A 29 -1.414 1.898 5.755 1.00 0.00 O ATOM 416 CB LEU A 29 -1.842 4.703 4.079 1.00 0.00 C ATOM 417 CG LEU A 29 -2.734 5.482 3.113 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.877 6.243 2.121 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.698 4.552 2.389 1.00 0.00 C ATOM 0 H LEU A 29 -3.248 5.783 5.796 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.272 3.216 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.170 5.405 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.220 4.019 3.502 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.328 6.194 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.519 6.796 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.232 6.940 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.263 5.541 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.321 5.132 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.133 3.812 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.331 4.046 3.117 1.00 0.00 H new ATOM 431 N ARG A 30 -0.946 3.762 6.928 1.00 0.00 N ATOM 432 CA ARG A 30 0.010 3.125 7.824 1.00 0.00 C ATOM 433 C ARG A 30 -0.681 2.000 8.586 1.00 0.00 C ATOM 434 O ARG A 30 -0.139 0.902 8.715 1.00 0.00 O ATOM 435 CB ARG A 30 0.598 4.171 8.784 1.00 0.00 C ATOM 436 CG ARG A 30 1.834 3.718 9.557 1.00 0.00 C ATOM 437 CD ARG A 30 1.486 2.828 10.739 1.00 0.00 C ATOM 438 NE ARG A 30 2.653 2.539 11.568 1.00 0.00 N ATOM 439 CZ ARG A 30 2.672 1.624 12.537 1.00 0.00 C ATOM 440 NH1 ARG A 30 1.601 0.880 12.778 1.00 0.00 N ATOM 441 NH2 ARG A 30 3.765 1.453 13.267 1.00 0.00 N ATOM 0 H ARG A 30 -1.077 4.758 7.102 1.00 0.00 H new ATOM 0 HA ARG A 30 0.831 2.696 7.249 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.853 5.063 8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.173 4.460 9.499 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.502 3.179 8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.377 4.593 9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.721 3.313 11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.059 1.893 10.376 1.00 0.00 H new ATOM 0 HE ARG A 30 3.506 3.070 11.395 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.756 1.006 12.220 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.622 0.181 13.521 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.592 2.022 13.087 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.779 0.753 14.008 1.00 0.00 H new ATOM 455 N SER A 31 -1.887 2.281 9.067 1.00 0.00 N ATOM 456 CA SER A 31 -2.682 1.286 9.768 1.00 0.00 C ATOM 457 C SER A 31 -3.001 0.129 8.831 1.00 0.00 C ATOM 458 O SER A 31 -2.786 -1.038 9.162 1.00 0.00 O ATOM 459 CB SER A 31 -3.988 1.907 10.277 1.00 0.00 C ATOM 460 OG SER A 31 -4.561 1.124 11.315 1.00 0.00 O ATOM 0 H SER A 31 -2.335 3.194 8.983 1.00 0.00 H new ATOM 0 HA SER A 31 -2.109 0.919 10.620 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.795 2.915 10.643 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.696 1.997 9.453 1.00 0.00 H new ATOM 0 HG SER A 31 -4.777 1.700 12.078 1.00 0.00 H new ATOM 466 N LEU A 32 -3.486 0.479 7.648 1.00 0.00 N ATOM 467 CA LEU A 32 -3.920 -0.493 6.659 1.00 0.00 C ATOM 468 C LEU A 32 -2.805 -1.444 6.257 1.00 0.00 C ATOM 469 O LEU A 32 -2.913 -2.656 6.438 1.00 0.00 O ATOM 470 CB LEU A 32 -4.440 0.224 5.412 1.00 0.00 C ATOM 471 CG LEU A 32 -4.667 -0.685 4.206 1.00 0.00 C ATOM 472 CD1 LEU A 32 -5.501 -1.881 4.595 1.00 0.00 C ATOM 473 CD2 LEU A 32 -5.341 0.060 3.075 1.00 0.00 C ATOM 0 H LEU A 32 -3.589 1.448 7.348 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.715 -1.081 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.379 0.720 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.731 1.004 5.135 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.690 -1.024 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.653 -2.518 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.986 -2.446 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.467 -1.544 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.488 -0.615 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.307 0.436 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.714 0.896 2.765 1.00 0.00 H new ATOM 485 N PHE A 33 -1.743 -0.888 5.703 1.00 0.00 N ATOM 486 CA PHE A 33 -0.686 -1.689 5.102 1.00 0.00 C ATOM 487 C PHE A 33 -0.054 -2.617 6.135 1.00 0.00 C ATOM 488 O PHE A 33 0.343 -3.739 5.815 1.00 0.00 O ATOM 489 CB PHE A 33 0.372 -0.789 4.466 1.00 0.00 C ATOM 490 CG PHE A 33 -0.173 0.212 3.470 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.392 -0.029 2.854 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.512 1.391 3.151 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.916 0.864 1.944 1.00 0.00 C ATOM 494 CE2 PHE A 33 -0.018 2.283 2.238 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.119 2.085 1.642 1.00 0.00 C ATOM 0 H PHE A 33 -1.587 0.119 5.656 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.128 -2.306 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.894 -0.249 5.256 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.111 -1.415 3.966 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.939 -0.930 3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.460 1.605 3.621 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.869 0.685 1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.530 3.188 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.478 2.800 0.917 1.00 0.00 H new ATOM 505 N SER A 34 0.004 -2.155 7.377 1.00 0.00 N ATOM 506 CA SER A 34 0.519 -2.962 8.471 1.00 0.00 C ATOM 507 C SER A 34 -0.387 -4.164 8.730 1.00 0.00 C ATOM 508 O SER A 34 0.093 -5.281 8.938 1.00 0.00 O ATOM 509 CB SER A 34 0.656 -2.107 9.730 1.00 0.00 C ATOM 510 OG SER A 34 1.045 -2.885 10.850 1.00 0.00 O ATOM 0 H SER A 34 -0.301 -1.221 7.651 1.00 0.00 H new ATOM 0 HA SER A 34 1.504 -3.338 8.194 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.392 -1.322 9.559 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.293 -1.614 9.941 1.00 0.00 H new ATOM 0 HG SER A 34 1.125 -2.307 11.638 1.00 0.00 H new ATOM 516 N ARG A 35 -1.699 -3.936 8.698 1.00 0.00 N ATOM 517 CA ARG A 35 -2.667 -5.014 8.878 1.00 0.00 C ATOM 518 C ARG A 35 -2.551 -6.016 7.736 1.00 0.00 C ATOM 519 O ARG A 35 -2.752 -7.215 7.913 1.00 0.00 O ATOM 520 CB ARG A 35 -4.090 -4.478 8.895 1.00 0.00 C ATOM 521 CG ARG A 35 -4.369 -3.507 10.011 1.00 0.00 C ATOM 522 CD ARG A 35 -5.751 -2.891 9.851 1.00 0.00 C ATOM 523 NE ARG A 35 -5.925 -1.682 10.655 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.103 -1.093 10.871 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.222 -1.614 10.375 1.00 0.00 N ATOM 526 NH2 ARG A 35 -7.160 0.030 11.575 1.00 0.00 N ATOM 0 H ARG A 35 -2.114 -3.016 8.549 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.449 -5.494 9.832 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.294 -3.988 7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.782 -5.317 8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.302 -4.019 10.971 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.613 -2.722 10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.919 -2.652 8.801 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.506 -3.624 10.135 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.096 -1.263 11.076 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.185 -2.471 9.824 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.117 -1.156 10.546 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.305 0.441 11.950 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.059 0.482 11.742 1.00 0.00 H new ATOM 540 N ALA A 36 -2.215 -5.493 6.562 1.00 0.00 N ATOM 541 CA ALA A 36 -2.197 -6.271 5.332 1.00 0.00 C ATOM 542 C ALA A 36 -0.966 -7.173 5.235 1.00 0.00 C ATOM 543 O ALA A 36 -0.864 -7.998 4.326 1.00 0.00 O ATOM 544 CB ALA A 36 -2.274 -5.332 4.135 1.00 0.00 C ATOM 0 H ALA A 36 -1.947 -4.517 6.438 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.066 -6.928 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.260 -5.915 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.197 -4.754 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.420 -4.655 4.148 1.00 0.00 H new ATOM 550 N GLY A 37 -0.031 -7.013 6.164 1.00 0.00 N ATOM 551 CA GLY A 37 1.153 -7.857 6.170 1.00 0.00 C ATOM 552 C GLY A 37 2.253 -7.302 5.295 1.00 0.00 C ATOM 553 O GLY A 37 3.306 -7.921 5.132 1.00 0.00 O ATOM 0 H GLY A 37 -0.069 -6.319 6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.520 -7.959 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.887 -8.856 5.826 1.00 0.00 H new ATOM 557 N ILE A 38 1.998 -6.142 4.716 1.00 0.00 N ATOM 558 CA ILE A 38 2.978 -5.457 3.903 1.00 0.00 C ATOM 559 C ILE A 38 4.094 -4.900 4.777 1.00 0.00 C ATOM 560 O ILE A 38 3.889 -3.953 5.537 1.00 0.00 O ATOM 561 CB ILE A 38 2.318 -4.308 3.125 1.00 0.00 C ATOM 562 CG1 ILE A 38 1.036 -4.800 2.449 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.285 -3.747 2.094 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.126 -3.687 1.991 1.00 0.00 C ATOM 0 H ILE A 38 1.107 -5.652 4.798 1.00 0.00 H new ATOM 0 HA ILE A 38 3.398 -6.174 3.197 1.00 0.00 H new ATOM 0 HB ILE A 38 2.059 -3.511 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.302 -5.416 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.492 -5.440 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.805 -2.934 1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.176 -3.371 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.568 -4.534 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.761 -4.112 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.171 -3.084 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.652 -3.060 1.271 1.00 0.00 H new ATOM 576 N SER A 39 5.263 -5.510 4.676 1.00 0.00 N ATOM 577 CA SER A 39 6.435 -5.055 5.398 1.00 0.00 C ATOM 578 C SER A 39 6.812 -3.647 4.956 1.00 0.00 C ATOM 579 O SER A 39 6.483 -3.235 3.840 1.00 0.00 O ATOM 580 CB SER A 39 7.595 -6.019 5.151 1.00 0.00 C ATOM 581 OG SER A 39 8.789 -5.584 5.783 1.00 0.00 O ATOM 0 H SER A 39 5.424 -6.331 4.093 1.00 0.00 H new ATOM 0 HA SER A 39 6.212 -5.032 6.465 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.329 -7.009 5.520 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.766 -6.114 4.079 1.00 0.00 H new ATOM 0 HG SER A 39 9.507 -6.227 5.604 1.00 0.00 H new ATOM 587 N GLU A 40 7.498 -2.909 5.816 1.00 0.00 N ATOM 588 CA GLU A 40 7.959 -1.576 5.459 1.00 0.00 C ATOM 589 C GLU A 40 8.834 -1.650 4.206 1.00 0.00 C ATOM 590 O GLU A 40 8.820 -0.750 3.369 1.00 0.00 O ATOM 591 CB GLU A 40 8.736 -0.945 6.615 1.00 0.00 C ATOM 592 CG GLU A 40 9.060 0.520 6.394 1.00 0.00 C ATOM 593 CD GLU A 40 9.876 1.116 7.518 1.00 0.00 C ATOM 594 OE1 GLU A 40 11.122 1.056 7.452 1.00 0.00 O ATOM 595 OE2 GLU A 40 9.271 1.650 8.471 1.00 0.00 O ATOM 0 H GLU A 40 7.746 -3.208 6.759 1.00 0.00 H new ATOM 0 HA GLU A 40 7.092 -0.949 5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.155 -1.047 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.664 -1.497 6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.606 0.629 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.131 1.081 6.289 1.00 0.00 H new ATOM 602 N ALA A 41 9.563 -2.758 4.067 1.00 0.00 N ATOM 603 CA ALA A 41 10.430 -2.980 2.911 1.00 0.00 C ATOM 604 C ALA A 41 9.610 -3.177 1.638 1.00 0.00 C ATOM 605 O ALA A 41 10.101 -2.998 0.526 1.00 0.00 O ATOM 606 CB ALA A 41 11.329 -4.182 3.159 1.00 0.00 C ATOM 0 H ALA A 41 9.569 -3.519 4.746 1.00 0.00 H new ATOM 0 HA ALA A 41 11.052 -2.095 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.972 -4.341 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.945 -4.000 4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.715 -5.068 3.322 1.00 0.00 H new ATOM 612 N GLN A 42 8.347 -3.499 1.823 1.00 0.00 N ATOM 613 CA GLN A 42 7.460 -3.777 0.701 1.00 0.00 C ATOM 614 C GLN A 42 6.803 -2.499 0.224 1.00 0.00 C ATOM 615 O GLN A 42 6.417 -2.378 -0.936 1.00 0.00 O ATOM 616 CB GLN A 42 6.395 -4.799 1.082 1.00 0.00 C ATOM 617 CG GLN A 42 6.926 -6.208 1.231 1.00 0.00 C ATOM 618 CD GLN A 42 5.828 -7.204 1.535 1.00 0.00 C ATOM 619 OE1 GLN A 42 5.514 -7.460 2.694 1.00 0.00 O ATOM 620 NE2 GLN A 42 5.249 -7.783 0.498 1.00 0.00 N ATOM 0 H GLN A 42 7.906 -3.576 2.740 1.00 0.00 H new ATOM 0 HA GLN A 42 8.060 -4.195 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.932 -4.494 2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.612 -4.794 0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.436 -6.501 0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.668 -6.232 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.540 -7.541 -0.449 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.511 -8.472 0.645 1.00 0.00 H new ATOM 629 N LEU A 43 6.687 -1.541 1.127 1.00 0.00 N ATOM 630 CA LEU A 43 6.191 -0.227 0.773 1.00 0.00 C ATOM 631 C LEU A 43 7.292 0.558 0.076 1.00 0.00 C ATOM 632 O LEU A 43 7.071 1.652 -0.423 1.00 0.00 O ATOM 633 CB LEU A 43 5.695 0.516 2.013 1.00 0.00 C ATOM 634 CG LEU A 43 4.508 -0.138 2.721 1.00 0.00 C ATOM 635 CD1 LEU A 43 4.132 0.644 3.968 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.321 -0.228 1.778 1.00 0.00 C ATOM 0 H LEU A 43 6.930 -1.651 2.111 1.00 0.00 H new ATOM 0 HA LEU A 43 5.346 -0.335 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.519 0.603 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.415 1.529 1.724 1.00 0.00 H new ATOM 0 HG LEU A 43 4.796 -1.145 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.285 0.163 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.981 0.669 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.860 1.662 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.482 -0.695 2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.036 0.773 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.592 -0.827 0.908 1.00 0.00 H new ATOM 648 N THR A 44 8.485 -0.016 0.056 1.00 0.00 N ATOM 649 CA THR A 44 9.593 0.554 -0.687 1.00 0.00 C ATOM 650 C THR A 44 9.935 -0.324 -1.893 1.00 0.00 C ATOM 651 O THR A 44 10.874 -0.042 -2.641 1.00 0.00 O ATOM 652 CB THR A 44 10.831 0.736 0.211 1.00 0.00 C ATOM 653 OG1 THR A 44 11.111 -0.487 0.911 1.00 0.00 O ATOM 654 CG2 THR A 44 10.612 1.870 1.208 1.00 0.00 C ATOM 0 H THR A 44 8.709 -0.880 0.549 1.00 0.00 H new ATOM 0 HA THR A 44 9.287 1.538 -1.043 1.00 0.00 H new ATOM 0 HB THR A 44 11.682 0.992 -0.420 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.666 -1.233 0.457 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.498 1.982 1.832 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.429 2.799 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.752 1.641 1.837 1.00 0.00 H new ATOM 662 N ASP A 45 9.158 -1.393 -2.065 1.00 0.00 N ATOM 663 CA ASP A 45 9.307 -2.287 -3.210 1.00 0.00 C ATOM 664 C ASP A 45 8.694 -1.654 -4.451 1.00 0.00 C ATOM 665 O ASP A 45 7.773 -0.844 -4.338 1.00 0.00 O ATOM 666 CB ASP A 45 8.631 -3.636 -2.939 1.00 0.00 C ATOM 667 CG ASP A 45 8.765 -4.604 -4.100 1.00 0.00 C ATOM 668 OD1 ASP A 45 9.852 -5.212 -4.249 1.00 0.00 O ATOM 669 OD2 ASP A 45 7.792 -4.770 -4.858 1.00 0.00 O ATOM 0 H ASP A 45 8.414 -1.661 -1.420 1.00 0.00 H new ATOM 0 HA ASP A 45 10.372 -2.454 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.068 -4.084 -2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.574 -3.472 -2.729 1.00 0.00 H new ATOM 674 N ALA A 46 9.184 -2.022 -5.624 1.00 0.00 N ATOM 675 CA ALA A 46 8.697 -1.438 -6.863 1.00 0.00 C ATOM 676 C ALA A 46 7.272 -1.886 -7.172 1.00 0.00 C ATOM 677 O ALA A 46 6.355 -1.060 -7.240 1.00 0.00 O ATOM 678 CB ALA A 46 9.622 -1.790 -8.014 1.00 0.00 C ATOM 0 H ALA A 46 9.917 -2.721 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 46 8.685 -0.355 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.243 -1.345 -8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.621 -1.405 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.667 -2.873 -8.126 1.00 0.00 H new ATOM 684 N GLU A 47 7.071 -3.190 -7.336 1.00 0.00 N ATOM 685 CA GLU A 47 5.777 -3.684 -7.786 1.00 0.00 C ATOM 686 C GLU A 47 4.785 -3.733 -6.632 1.00 0.00 C ATOM 687 O GLU A 47 3.617 -3.392 -6.808 1.00 0.00 O ATOM 688 CB GLU A 47 5.892 -5.057 -8.474 1.00 0.00 C ATOM 689 CG GLU A 47 5.790 -6.264 -7.549 1.00 0.00 C ATOM 690 CD GLU A 47 5.804 -7.571 -8.313 1.00 0.00 C ATOM 691 OE1 GLU A 47 6.904 -8.035 -8.685 1.00 0.00 O ATOM 692 OE2 GLU A 47 4.720 -8.132 -8.570 1.00 0.00 O ATOM 0 H GLU A 47 7.773 -3.910 -7.168 1.00 0.00 H new ATOM 0 HA GLU A 47 5.403 -2.982 -8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.109 -5.132 -9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.846 -5.103 -8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.619 -6.249 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.872 -6.196 -6.965 1.00 0.00 H new ATOM 699 N THR A 48 5.249 -4.131 -5.450 1.00 0.00 N ATOM 700 CA THR A 48 4.385 -4.210 -4.283 1.00 0.00 C ATOM 701 C THR A 48 3.668 -2.886 -4.046 1.00 0.00 C ATOM 702 O THR A 48 2.442 -2.844 -3.937 1.00 0.00 O ATOM 703 CB THR A 48 5.171 -4.603 -3.022 1.00 0.00 C ATOM 704 OG1 THR A 48 5.942 -5.782 -3.282 1.00 0.00 O ATOM 705 CG2 THR A 48 4.214 -4.856 -1.864 1.00 0.00 C ATOM 0 H THR A 48 6.217 -4.403 -5.279 1.00 0.00 H new ATOM 0 HA THR A 48 3.646 -4.986 -4.485 1.00 0.00 H new ATOM 0 HB THR A 48 5.841 -3.786 -2.753 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.499 -5.640 -4.076 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.782 -5.134 -0.976 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.642 -3.951 -1.660 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.532 -5.665 -2.126 1.00 0.00 H new ATOM 713 N SER A 49 4.436 -1.808 -4.007 1.00 0.00 N ATOM 714 CA SER A 49 3.881 -0.482 -3.797 1.00 0.00 C ATOM 715 C SER A 49 2.924 -0.102 -4.922 1.00 0.00 C ATOM 716 O SER A 49 1.871 0.489 -4.679 1.00 0.00 O ATOM 717 CB SER A 49 5.005 0.541 -3.708 1.00 0.00 C ATOM 718 OG SER A 49 5.937 0.183 -2.709 1.00 0.00 O ATOM 0 H SER A 49 5.450 -1.827 -4.119 1.00 0.00 H new ATOM 0 HA SER A 49 3.321 -0.491 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.510 0.617 -4.671 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.590 1.524 -3.488 1.00 0.00 H new ATOM 0 HG SER A 49 6.786 -0.068 -3.129 1.00 0.00 H new ATOM 724 N LYS A 50 3.287 -0.448 -6.152 1.00 0.00 N ATOM 725 CA LYS A 50 2.466 -0.107 -7.304 1.00 0.00 C ATOM 726 C LYS A 50 1.128 -0.836 -7.251 1.00 0.00 C ATOM 727 O LYS A 50 0.085 -0.248 -7.528 1.00 0.00 O ATOM 728 CB LYS A 50 3.196 -0.426 -8.610 1.00 0.00 C ATOM 729 CG LYS A 50 2.426 0.002 -9.850 1.00 0.00 C ATOM 730 CD LYS A 50 3.248 -0.168 -11.117 1.00 0.00 C ATOM 731 CE LYS A 50 2.493 0.337 -12.334 1.00 0.00 C ATOM 732 NZ LYS A 50 3.315 0.271 -13.569 1.00 0.00 N ATOM 0 H LYS A 50 4.140 -0.961 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 50 2.275 0.966 -7.272 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.167 0.069 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.385 -1.498 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.511 -0.586 -9.930 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.127 1.045 -9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.189 0.374 -11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.499 -1.220 -11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.588 -0.255 -12.470 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.178 1.366 -12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.761 0.625 -14.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.167 0.856 -13.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.594 -0.715 -13.748 1.00 0.00 H new ATOM 746 N LEU A 51 1.155 -2.111 -6.875 1.00 0.00 N ATOM 747 CA LEU A 51 -0.070 -2.887 -6.763 1.00 0.00 C ATOM 748 C LEU A 51 -0.917 -2.422 -5.586 1.00 0.00 C ATOM 749 O LEU A 51 -2.143 -2.482 -5.649 1.00 0.00 O ATOM 750 CB LEU A 51 0.205 -4.382 -6.671 1.00 0.00 C ATOM 751 CG LEU A 51 0.357 -5.082 -8.020 1.00 0.00 C ATOM 752 CD1 LEU A 51 -0.660 -4.551 -9.018 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.769 -4.949 -8.556 1.00 0.00 C ATOM 0 H LEU A 51 2.006 -2.624 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.635 -2.714 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.115 -4.536 -6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.608 -4.855 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 51 0.164 -6.144 -7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.535 -5.063 -9.972 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.667 -4.728 -8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.508 -3.481 -9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.843 -5.458 -9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.011 -3.894 -8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.469 -5.399 -7.852 1.00 0.00 H new ATOM 765 N ILE A 52 -0.276 -1.979 -4.506 1.00 0.00 N ATOM 766 CA ILE A 52 -1.004 -1.367 -3.401 1.00 0.00 C ATOM 767 C ILE A 52 -1.683 -0.077 -3.850 1.00 0.00 C ATOM 768 O ILE A 52 -2.851 0.159 -3.545 1.00 0.00 O ATOM 769 CB ILE A 52 -0.086 -1.059 -2.208 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.496 -2.348 -1.641 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.857 -0.307 -1.132 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.532 -2.111 -0.574 1.00 0.00 C ATOM 0 H ILE A 52 0.734 -2.032 -4.375 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.756 -2.089 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 52 0.735 -0.430 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.311 -2.952 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.943 -2.925 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.196 -0.095 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.235 0.629 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.693 -0.917 -0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.907 -3.068 -0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.357 -1.532 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.083 -1.561 0.253 1.00 0.00 H new ATOM 784 N TYR A 53 -0.949 0.758 -4.575 1.00 0.00 N ATOM 785 CA TYR A 53 -1.514 1.994 -5.097 1.00 0.00 C ATOM 786 C TYR A 53 -2.653 1.684 -6.063 1.00 0.00 C ATOM 787 O TYR A 53 -3.717 2.290 -5.991 1.00 0.00 O ATOM 788 CB TYR A 53 -0.434 2.835 -5.782 1.00 0.00 C ATOM 789 CG TYR A 53 -0.954 4.130 -6.365 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.518 5.110 -5.554 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.886 4.367 -7.729 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.994 6.292 -6.091 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.360 5.544 -8.273 1.00 0.00 C ATOM 794 CZ TYR A 53 -1.913 6.502 -7.450 1.00 0.00 C ATOM 795 OH TYR A 53 -2.387 7.675 -7.990 1.00 0.00 O ATOM 0 H TYR A 53 0.031 0.603 -4.813 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.914 2.573 -4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.351 3.061 -5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.023 2.246 -6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.585 4.945 -4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.455 3.618 -8.377 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.426 7.045 -5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.298 5.713 -9.338 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.254 7.665 -8.961 1.00 0.00 H new ATOM 805 N ASP A 54 -2.422 0.724 -6.952 1.00 0.00 N ATOM 806 CA ASP A 54 -3.452 0.235 -7.872 1.00 0.00 C ATOM 807 C ASP A 54 -4.642 -0.316 -7.093 1.00 0.00 C ATOM 808 O ASP A 54 -5.781 -0.157 -7.501 1.00 0.00 O ATOM 809 CB ASP A 54 -2.862 -0.855 -8.777 1.00 0.00 C ATOM 810 CG ASP A 54 -3.899 -1.546 -9.641 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.465 -2.570 -9.193 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.128 -1.091 -10.781 1.00 0.00 O ATOM 0 H ASP A 54 -1.519 0.262 -7.058 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.797 1.064 -8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.102 -0.411 -9.420 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.361 -1.599 -8.158 1.00 0.00 H new ATOM 817 N PHE A 55 -4.358 -0.964 -5.968 1.00 0.00 N ATOM 818 CA PHE A 55 -5.393 -1.455 -5.060 1.00 0.00 C ATOM 819 C PHE A 55 -6.267 -0.306 -4.572 1.00 0.00 C ATOM 820 O PHE A 55 -7.493 -0.381 -4.614 1.00 0.00 O ATOM 821 CB PHE A 55 -4.732 -2.166 -3.872 1.00 0.00 C ATOM 822 CG PHE A 55 -5.630 -2.396 -2.690 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.497 -3.482 -2.658 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.623 -1.520 -1.618 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.335 -3.683 -1.581 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.458 -1.720 -0.538 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.266 -2.839 -0.489 1.00 0.00 C ATOM 0 H PHE A 55 -3.407 -1.164 -5.659 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.030 -2.161 -5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.349 -3.129 -4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.873 -1.578 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.515 -4.176 -3.485 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.956 -0.670 -1.627 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.043 -4.498 -1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.480 -1.002 0.268 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.842 -3.054 0.399 1.00 0.00 H new ATOM 837 N ILE A 56 -5.618 0.753 -4.113 1.00 0.00 N ATOM 838 CA ILE A 56 -6.309 1.941 -3.638 1.00 0.00 C ATOM 839 C ILE A 56 -7.076 2.599 -4.785 1.00 0.00 C ATOM 840 O ILE A 56 -8.249 2.958 -4.647 1.00 0.00 O ATOM 841 CB ILE A 56 -5.306 2.940 -3.023 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.570 2.273 -1.859 1.00 0.00 C ATOM 843 CG2 ILE A 56 -6.015 4.200 -2.554 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.483 3.127 -1.257 1.00 0.00 C ATOM 0 H ILE A 56 -4.601 0.813 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.019 1.644 -2.866 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.583 3.229 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.292 2.019 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.133 1.337 -2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.287 4.889 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.509 4.676 -3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.758 3.940 -1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.007 2.587 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.739 3.360 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.916 4.053 -0.878 1.00 0.00 H new ATOM 856 N GLU A 57 -6.404 2.728 -5.921 1.00 0.00 N ATOM 857 CA GLU A 57 -7.010 3.253 -7.140 1.00 0.00 C ATOM 858 C GLU A 57 -8.223 2.423 -7.560 1.00 0.00 C ATOM 859 O GLU A 57 -9.241 2.966 -7.989 1.00 0.00 O ATOM 860 CB GLU A 57 -5.975 3.243 -8.269 1.00 0.00 C ATOM 861 CG GLU A 57 -4.901 4.305 -8.125 1.00 0.00 C ATOM 862 CD GLU A 57 -5.481 5.687 -7.939 1.00 0.00 C ATOM 863 OE1 GLU A 57 -5.983 6.258 -8.921 1.00 0.00 O ATOM 864 OE2 GLU A 57 -5.437 6.213 -6.806 1.00 0.00 O ATOM 0 H GLU A 57 -5.422 2.472 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.343 4.272 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.500 2.262 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.488 3.385 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.266 4.063 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.264 4.297 -9.010 1.00 0.00 H new ATOM 871 N ASP A 58 -8.086 1.109 -7.440 1.00 0.00 N ATOM 872 CA ASP A 58 -9.127 0.155 -7.817 1.00 0.00 C ATOM 873 C ASP A 58 -10.405 0.400 -7.028 1.00 0.00 C ATOM 874 O ASP A 58 -11.509 0.240 -7.548 1.00 0.00 O ATOM 875 CB ASP A 58 -8.616 -1.270 -7.573 1.00 0.00 C ATOM 876 CG ASP A 58 -9.576 -2.348 -8.028 1.00 0.00 C ATOM 877 OD1 ASP A 58 -9.553 -2.695 -9.229 1.00 0.00 O ATOM 878 OD2 ASP A 58 -10.319 -2.886 -7.184 1.00 0.00 O ATOM 0 H ASP A 58 -7.242 0.669 -7.075 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.359 0.286 -8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.666 -1.399 -8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.418 -1.398 -6.509 1.00 0.00 H new ATOM 883 N GLN A 59 -10.247 0.829 -5.783 1.00 0.00 N ATOM 884 CA GLN A 59 -11.385 1.065 -4.902 1.00 0.00 C ATOM 885 C GLN A 59 -12.094 2.366 -5.257 1.00 0.00 C ATOM 886 O GLN A 59 -13.252 2.572 -4.898 1.00 0.00 O ATOM 887 CB GLN A 59 -10.929 1.111 -3.440 1.00 0.00 C ATOM 888 CG GLN A 59 -10.086 -0.082 -3.027 1.00 0.00 C ATOM 889 CD GLN A 59 -10.719 -1.398 -3.418 1.00 0.00 C ATOM 890 OE1 GLN A 59 -11.940 -1.518 -3.473 1.00 0.00 O ATOM 891 NE2 GLN A 59 -9.891 -2.385 -3.714 1.00 0.00 N ATOM 0 H GLN A 59 -9.340 1.021 -5.359 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.085 0.240 -5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.356 2.024 -3.276 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.807 1.165 -2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.101 -0.005 -3.488 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.935 -0.061 -1.948 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.883 -2.240 -3.654 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.260 -3.291 -4.002 1.00 0.00 H new ATOM 900 N GLY A 60 -11.398 3.232 -5.977 1.00 0.00 N ATOM 901 CA GLY A 60 -11.931 4.542 -6.285 1.00 0.00 C ATOM 902 C GLY A 60 -11.065 5.643 -5.715 1.00 0.00 C ATOM 903 O GLY A 60 -11.323 6.829 -5.929 1.00 0.00 O ATOM 0 H GLY A 60 -10.469 3.049 -6.355 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.006 4.660 -7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.941 4.628 -5.884 1.00 0.00 H new ATOM 907 N GLY A 61 -10.034 5.245 -4.981 1.00 0.00 N ATOM 908 CA GLY A 61 -9.096 6.197 -4.436 1.00 0.00 C ATOM 909 C GLY A 61 -8.897 6.020 -2.944 1.00 0.00 C ATOM 910 O GLY A 61 -9.311 5.009 -2.370 1.00 0.00 O ATOM 0 H GLY A 61 -9.833 4.271 -4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.137 6.090 -4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.451 7.208 -4.635 1.00 0.00 H new ATOM 914 N LEU A 62 -8.292 7.016 -2.314 1.00 0.00 N ATOM 915 CA LEU A 62 -7.894 6.925 -0.912 1.00 0.00 C ATOM 916 C LEU A 62 -9.107 6.948 0.002 1.00 0.00 C ATOM 917 O LEU A 62 -9.183 6.202 0.980 1.00 0.00 O ATOM 918 CB LEU A 62 -6.958 8.082 -0.543 1.00 0.00 C ATOM 919 CG LEU A 62 -5.514 7.965 -1.046 1.00 0.00 C ATOM 920 CD1 LEU A 62 -5.456 7.900 -2.566 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.695 9.136 -0.535 1.00 0.00 C ATOM 0 H LEU A 62 -8.063 7.907 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.370 5.979 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.384 9.006 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.937 8.174 0.543 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.094 7.036 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.418 7.818 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.014 7.031 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.895 8.805 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.670 9.048 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.128 10.068 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.698 9.134 0.555 1.00 0.00 H new ATOM 933 N GLU A 63 -10.048 7.812 -0.333 1.00 0.00 N ATOM 934 CA GLU A 63 -11.268 7.992 0.443 1.00 0.00 C ATOM 935 C GLU A 63 -12.018 6.671 0.576 1.00 0.00 C ATOM 936 O GLU A 63 -12.644 6.394 1.600 1.00 0.00 O ATOM 937 CB GLU A 63 -12.177 9.031 -0.229 1.00 0.00 C ATOM 938 CG GLU A 63 -11.452 10.266 -0.742 1.00 0.00 C ATOM 939 CD GLU A 63 -10.779 10.045 -2.088 1.00 0.00 C ATOM 940 OE1 GLU A 63 -11.455 10.202 -3.129 1.00 0.00 O ATOM 941 OE2 GLU A 63 -9.576 9.718 -2.109 1.00 0.00 O ATOM 0 H GLU A 63 -9.990 8.413 -1.155 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.991 8.344 1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.695 8.557 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.940 9.343 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.163 11.088 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.701 10.569 -0.012 1.00 0.00 H new ATOM 948 N ALA A 64 -11.928 5.853 -0.464 1.00 0.00 N ATOM 949 CA ALA A 64 -12.642 4.588 -0.514 1.00 0.00 C ATOM 950 C ALA A 64 -12.065 3.579 0.475 1.00 0.00 C ATOM 951 O ALA A 64 -12.808 2.951 1.230 1.00 0.00 O ATOM 952 CB ALA A 64 -12.617 4.028 -1.927 1.00 0.00 C ATOM 0 H ALA A 64 -11.362 6.047 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.677 4.774 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.155 3.080 -1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.094 4.734 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.584 3.867 -2.237 1.00 0.00 H new ATOM 958 N VAL A 65 -10.741 3.441 0.498 1.00 0.00 N ATOM 959 CA VAL A 65 -10.105 2.433 1.345 1.00 0.00 C ATOM 960 C VAL A 65 -10.271 2.780 2.824 1.00 0.00 C ATOM 961 O VAL A 65 -10.333 1.893 3.676 1.00 0.00 O ATOM 962 CB VAL A 65 -8.602 2.239 1.014 1.00 0.00 C ATOM 963 CG1 VAL A 65 -8.387 2.110 -0.486 1.00 0.00 C ATOM 964 CG2 VAL A 65 -7.751 3.362 1.591 1.00 0.00 C ATOM 0 H VAL A 65 -10.094 4.006 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.611 1.491 1.136 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.281 1.310 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.325 1.975 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.941 1.249 -0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.741 3.013 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.704 3.192 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.075 4.315 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.864 3.384 2.675 1.00 0.00 H new ATOM 974 N ARG A 66 -10.377 4.071 3.124 1.00 0.00 N ATOM 975 CA ARG A 66 -10.563 4.512 4.499 1.00 0.00 C ATOM 976 C ARG A 66 -11.965 4.143 4.975 1.00 0.00 C ATOM 977 O ARG A 66 -12.224 4.032 6.173 1.00 0.00 O ATOM 978 CB ARG A 66 -10.340 6.022 4.617 1.00 0.00 C ATOM 979 CG ARG A 66 -8.980 6.472 4.108 1.00 0.00 C ATOM 980 CD ARG A 66 -8.765 7.964 4.316 1.00 0.00 C ATOM 981 NE ARG A 66 -7.628 8.467 3.542 1.00 0.00 N ATOM 982 CZ ARG A 66 -6.459 8.840 4.072 1.00 0.00 C ATOM 983 NH1 ARG A 66 -6.244 8.753 5.377 1.00 0.00 N ATOM 984 NH2 ARG A 66 -5.492 9.301 3.292 1.00 0.00 N ATOM 0 H ARG A 66 -10.337 4.824 2.437 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.830 4.010 5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.119 6.542 4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.445 6.317 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.197 5.916 4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.893 6.236 3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.667 8.504 4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.599 8.162 5.375 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.735 8.537 2.530 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.976 8.397 5.992 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.347 9.042 5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.639 9.372 2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.601 9.585 3.698 1.00 0.00 H new ATOM 998 N GLN A 67 -12.861 3.936 4.018 1.00 0.00 N ATOM 999 CA GLN A 67 -14.227 3.545 4.321 1.00 0.00 C ATOM 1000 C GLN A 67 -14.350 2.033 4.475 1.00 0.00 C ATOM 1001 O GLN A 67 -15.195 1.562 5.222 1.00 0.00 O ATOM 1002 CB GLN A 67 -15.184 4.058 3.251 1.00 0.00 C ATOM 1003 CG GLN A 67 -15.430 5.558 3.336 1.00 0.00 C ATOM 1004 CD GLN A 67 -16.182 6.091 2.136 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -17.415 6.098 2.106 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -15.442 6.559 1.147 1.00 0.00 N ATOM 0 H GLN A 67 -12.662 4.034 3.022 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.500 3.999 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.781 3.818 2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.136 3.534 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.994 5.780 4.242 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.474 6.075 3.421 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.425 6.533 1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.888 6.946 0.315 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.503 1.273 3.781 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.469 -0.184 3.936 1.00 0.00 C ATOM 1017 C GLU A 68 -13.151 -0.558 5.369 1.00 0.00 C ATOM 1018 O GLU A 68 -13.630 -1.566 5.882 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.424 -0.795 3.021 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.697 -0.539 1.565 1.00 0.00 C ATOM 1021 CD GLU A 68 -13.340 -1.721 0.870 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -12.597 -2.598 0.388 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -14.586 -1.781 0.807 1.00 0.00 O ATOM 0 H GLU A 68 -12.832 1.640 3.107 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.452 -0.571 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.444 -0.392 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.382 -1.870 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.348 0.330 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.761 -0.293 1.063 1.00 0.00 H new ATOM 1030 N MET A 69 -12.344 0.278 6.005 1.00 0.00 N ATOM 1031 CA MET A 69 -11.999 0.114 7.419 1.00 0.00 C ATOM 1032 C MET A 69 -13.250 0.026 8.290 1.00 0.00 C ATOM 1033 O MET A 69 -13.216 -0.521 9.393 1.00 0.00 O ATOM 1034 CB MET A 69 -11.127 1.269 7.899 1.00 0.00 C ATOM 1035 CG MET A 69 -9.689 1.149 7.451 1.00 0.00 C ATOM 1036 SD MET A 69 -8.610 2.330 8.273 1.00 0.00 S ATOM 1037 CE MET A 69 -7.027 1.664 7.783 1.00 0.00 C ATOM 0 H MET A 69 -11.909 1.087 5.562 1.00 0.00 H new ATOM 0 HA MET A 69 -11.444 -0.819 7.511 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.540 2.207 7.529 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.160 1.314 8.988 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.333 0.138 7.649 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.634 1.301 6.373 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.540 1.210 8.646 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.173 0.909 7.011 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.400 2.466 7.393 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.344 0.577 7.787 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.617 0.569 8.478 1.00 0.00 C ATOM 1049 C ARG A 70 -16.702 0.011 7.556 1.00 0.00 C ATOM 1050 O ARG A 70 -17.896 0.233 7.768 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.944 2.002 8.904 1.00 0.00 C ATOM 1052 CG ARG A 70 -16.014 2.970 7.735 1.00 0.00 C ATOM 1053 CD ARG A 70 -15.770 4.404 8.165 1.00 0.00 C ATOM 1054 NE ARG A 70 -16.900 4.974 8.892 1.00 0.00 N ATOM 1055 CZ ARG A 70 -16.905 6.203 9.396 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -15.813 6.954 9.318 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -17.996 6.674 9.984 1.00 0.00 N ATOM 0 H ARG A 70 -14.370 1.045 6.881 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.568 -0.067 9.362 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.898 2.009 9.432 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.187 2.347 9.609 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -15.275 2.686 6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -16.993 2.896 7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -14.881 4.444 8.794 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.565 5.013 7.285 1.00 0.00 H new ATOM 0 HE ARG A 70 -17.731 4.397 9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.972 6.587 8.872 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.815 7.898 9.704 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -18.832 6.093 10.049 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -18.000 7.618 10.371 1.00 0.00 H new ATOM 1203 N VAL B 79 -9.913 -3.176 4.431 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.088 -3.183 3.216 1.00 0.00 C ATOM 1205 C VAL B 79 -7.901 -4.147 3.305 1.00 0.00 C ATOM 1206 O VAL B 79 -7.490 -4.729 2.302 1.00 0.00 O ATOM 1207 CB VAL B 79 -8.513 -1.783 2.928 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.114 -1.164 1.685 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -8.700 -0.845 4.106 1.00 0.00 C ATOM 0 HA VAL B 79 -9.757 -3.507 2.419 1.00 0.00 H new ATOM 0 HB VAL B 79 -7.446 -1.925 2.759 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -8.678 -0.178 1.522 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -8.905 -1.800 0.825 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -10.192 -1.068 1.811 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.281 0.132 3.863 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -9.763 -0.741 4.323 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -8.190 -1.252 4.979 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.357 -4.306 4.502 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.104 -5.026 4.706 1.00 0.00 C ATOM 1221 C ALA B 80 -6.112 -6.437 4.128 1.00 0.00 C ATOM 1222 O ALA B 80 -5.161 -6.846 3.462 1.00 0.00 O ATOM 1223 CB ALA B 80 -5.780 -5.049 6.178 1.00 0.00 C ATOM 0 H ALA B 80 -7.769 -3.941 5.360 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.328 -4.491 4.159 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -4.845 -5.586 6.336 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -5.679 -4.027 6.544 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.582 -5.550 6.719 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.179 -7.177 4.369 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.285 -8.530 3.840 1.00 0.00 C ATOM 1231 C GLN B 81 -7.409 -8.487 2.331 1.00 0.00 C ATOM 1232 O GLN B 81 -6.879 -9.336 1.616 1.00 0.00 O ATOM 1233 CB GLN B 81 -8.494 -9.231 4.430 1.00 0.00 C ATOM 1234 CG GLN B 81 -8.146 -10.523 5.135 1.00 0.00 C ATOM 1235 CD GLN B 81 -7.665 -11.607 4.205 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -8.081 -11.688 3.052 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -6.789 -12.445 4.715 1.00 0.00 N ATOM 0 H GLN B 81 -7.979 -6.870 4.922 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.386 -9.082 4.112 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -8.987 -8.561 5.135 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.210 -9.440 3.635 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -7.374 -10.325 5.879 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -9.023 -10.881 5.674 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -6.477 -12.332 5.679 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -6.422 -13.208 4.146 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.100 -7.468 1.862 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.327 -7.273 0.449 1.00 0.00 C ATOM 1248 C ARG B 82 -7.010 -6.951 -0.257 1.00 0.00 C ATOM 1249 O ARG B 82 -6.842 -7.228 -1.446 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.357 -6.159 0.255 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.801 -5.990 -1.176 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.964 -5.021 -1.287 1.00 0.00 C ATOM 1253 NE ARG B 82 -11.522 -5.004 -2.636 1.00 0.00 N ATOM 1254 CZ ARG B 82 -12.631 -4.348 -2.976 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -13.301 -3.644 -2.070 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -13.063 -4.382 -4.232 1.00 0.00 N ATOM 0 H ARG B 82 -8.520 -6.751 2.454 1.00 0.00 H new ATOM 0 HA ARG B 82 -8.720 -8.188 0.006 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.229 -6.370 0.875 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -8.934 -5.219 0.609 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -8.966 -5.629 -1.777 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -10.092 -6.958 -1.584 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -11.740 -5.300 -0.575 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -10.630 -4.019 -1.018 1.00 0.00 H new ATOM 0 HE ARG B 82 -11.033 -5.526 -3.363 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -12.967 -3.603 -1.107 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -14.149 -3.144 -2.337 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -12.546 -4.910 -4.935 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -13.912 -3.880 -4.493 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.069 -6.388 0.497 1.00 0.00 N ATOM 1271 CA LEU B 83 -4.735 -6.103 -0.023 1.00 0.00 C ATOM 1272 C LEU B 83 -3.969 -7.394 -0.265 1.00 0.00 C ATOM 1273 O LEU B 83 -3.382 -7.579 -1.330 1.00 0.00 O ATOM 1274 CB LEU B 83 -3.945 -5.203 0.931 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.760 -3.768 0.444 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.058 -2.910 1.479 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.988 -3.753 -0.865 1.00 0.00 C ATOM 0 H LEU B 83 -6.206 -6.120 1.472 1.00 0.00 H new ATOM 0 HA LEU B 83 -4.857 -5.576 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -4.453 -5.183 1.895 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -2.963 -5.646 1.098 1.00 0.00 H new ATOM 0 HG LEU B 83 -4.750 -3.343 0.281 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.945 -1.896 1.095 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.649 -2.888 2.395 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -2.075 -3.329 1.692 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.863 -2.724 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -2.009 -4.208 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.538 -4.317 -1.618 1.00 0.00 H new ATOM 1289 N MET B 84 -3.998 -8.286 0.722 1.00 0.00 N ATOM 1290 CA MET B 84 -3.312 -9.573 0.627 1.00 0.00 C ATOM 1291 C MET B 84 -3.716 -10.300 -0.648 1.00 0.00 C ATOM 1292 O MET B 84 -2.875 -10.848 -1.362 1.00 0.00 O ATOM 1293 CB MET B 84 -3.639 -10.454 1.836 1.00 0.00 C ATOM 1294 CG MET B 84 -3.258 -9.842 3.172 1.00 0.00 C ATOM 1295 SD MET B 84 -3.591 -10.951 4.558 1.00 0.00 S ATOM 1296 CE MET B 84 -3.103 -9.924 5.943 1.00 0.00 C ATOM 0 H MET B 84 -4.492 -8.140 1.602 1.00 0.00 H new ATOM 0 HA MET B 84 -2.240 -9.378 0.608 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.708 -10.667 1.838 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.124 -11.408 1.726 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.199 -9.585 3.162 1.00 0.00 H new ATOM 0 HG3 MET B 84 -3.810 -8.913 3.313 1.00 0.00 H new ATOM 0 HE1 MET B 84 -3.285 -10.460 6.875 1.00 0.00 H new ATOM 0 HE2 MET B 84 -2.043 -9.685 5.863 1.00 0.00 H new ATOM 0 HE3 MET B 84 -3.685 -9.002 5.935 1.00 0.00 H new ATOM 1306 N GLN B 85 -5.011 -10.271 -0.935 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.554 -10.914 -2.121 1.00 0.00 C ATOM 1308 C GLN B 85 -5.015 -10.260 -3.393 1.00 0.00 C ATOM 1309 O GLN B 85 -4.750 -10.939 -4.383 1.00 0.00 O ATOM 1310 CB GLN B 85 -7.086 -10.837 -2.118 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.749 -11.401 -0.864 1.00 0.00 C ATOM 1312 CD GLN B 85 -7.597 -12.907 -0.720 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -6.600 -13.492 -1.136 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -8.601 -13.548 -0.138 1.00 0.00 N ATOM 0 H GLN B 85 -5.709 -9.804 -0.356 1.00 0.00 H new ATOM 0 HA GLN B 85 -5.244 -11.959 -2.104 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -7.384 -9.795 -2.233 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -7.465 -11.375 -2.987 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -7.321 -10.916 0.013 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -8.810 -11.151 -0.880 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -9.413 -13.028 0.195 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -8.561 -14.561 -0.023 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.827 -8.943 -3.348 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.464 -8.182 -4.539 1.00 0.00 C ATOM 1325 C HIS B 86 -2.989 -8.355 -4.895 1.00 0.00 C ATOM 1326 O HIS B 86 -2.646 -8.457 -6.071 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.793 -6.697 -4.361 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.834 -5.932 -5.657 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.603 -6.325 -6.730 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -4.209 -4.792 -6.047 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.455 -5.464 -7.719 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.615 -4.524 -7.334 1.00 0.00 N ATOM 0 H HIS B 86 -4.920 -8.382 -2.501 1.00 0.00 H new ATOM 0 HA HIS B 86 -5.057 -8.577 -5.364 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.758 -6.604 -3.863 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.050 -6.244 -3.704 1.00 0.00 H new ATOM 0 HD1 HIS B 86 -6.196 -7.154 -6.756 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.521 -4.205 -5.457 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -5.941 -5.520 -8.682 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -4.315 -3.729 -7.898 1.00 0.00 H new ATOM 1341 N LEU B 87 -2.110 -8.387 -3.891 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.688 -8.606 -4.161 1.00 0.00 C ATOM 1343 C LEU B 87 -0.465 -10.035 -4.646 1.00 0.00 C ATOM 1344 O LEU B 87 0.440 -10.302 -5.443 1.00 0.00 O ATOM 1345 CB LEU B 87 0.202 -8.338 -2.932 1.00 0.00 C ATOM 1346 CG LEU B 87 0.356 -6.873 -2.487 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.127 -5.907 -3.640 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.563 -6.557 -1.324 1.00 0.00 C ATOM 0 H LEU B 87 -2.349 -8.267 -2.907 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.400 -7.893 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.199 -8.907 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.196 -8.735 -3.140 1.00 0.00 H new ATOM 0 HG LEU B 87 1.385 -6.743 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.245 -4.883 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU B 87 0.853 -6.103 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -0.881 -6.042 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.433 -5.515 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -1.598 -6.724 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.320 -7.204 -0.482 1.00 0.00 H new ATOM 1360 N ALA B 88 -1.310 -10.943 -4.174 1.00 0.00 N ATOM 1361 CA ALA B 88 -1.220 -12.348 -4.548 1.00 0.00 C ATOM 1362 C ALA B 88 -1.599 -12.555 -6.010 1.00 0.00 C ATOM 1363 O ALA B 88 -1.192 -13.534 -6.636 1.00 0.00 O ATOM 1364 CB ALA B 88 -2.107 -13.191 -3.646 1.00 0.00 C ATOM 0 H ALA B 88 -2.070 -10.729 -3.528 1.00 0.00 H new ATOM 0 HA ALA B 88 -0.185 -12.665 -4.422 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -2.030 -14.239 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -1.786 -13.077 -2.611 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -3.142 -12.862 -3.743 1.00 0.00 H new ATOM 1370 N GLU B 89 -2.367 -11.619 -6.556 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.812 -11.696 -7.944 1.00 0.00 C ATOM 1372 C GLU B 89 -1.659 -11.477 -8.920 1.00 0.00 C ATOM 1373 O GLU B 89 -1.782 -11.780 -10.105 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.891 -10.649 -8.224 1.00 0.00 C ATOM 1375 CG GLU B 89 -5.187 -10.850 -7.456 1.00 0.00 C ATOM 1376 CD GLU B 89 -6.189 -9.740 -7.715 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -6.782 -9.704 -8.814 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -6.398 -8.900 -6.819 1.00 0.00 O ATOM 0 H GLU B 89 -2.696 -10.793 -6.056 1.00 0.00 H new ATOM 0 HA GLU B 89 -3.215 -12.698 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -3.492 -9.663 -7.985 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -4.113 -10.652 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -5.628 -11.807 -7.736 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -4.970 -10.899 -6.389 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.542 -10.947 -8.436 1.00 0.00 N ATOM 1386 CA HIS B 90 0.514 -10.506 -9.341 1.00 0.00 C ATOM 1387 C HIS B 90 1.861 -11.170 -9.057 1.00 0.00 C ATOM 1388 O HIS B 90 2.568 -11.556 -9.986 1.00 0.00 O ATOM 1389 CB HIS B 90 0.633 -8.981 -9.305 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.600 -8.295 -9.810 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -0.807 -8.004 -11.137 1.00 0.00 N ATOM 1392 CD2 HIS B 90 -1.721 -7.896 -9.162 1.00 0.00 C ATOM 1393 CE1 HIS B 90 -2.001 -7.463 -11.287 1.00 0.00 C ATOM 1394 NE2 HIS B 90 -2.581 -7.387 -10.105 1.00 0.00 N ATOM 0 H HIS B 90 -0.345 -10.814 -7.444 1.00 0.00 H new ATOM 0 HA HIS B 90 0.229 -10.821 -10.345 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.830 -8.660 -8.282 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.488 -8.673 -9.906 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -1.905 -7.965 -8.100 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -2.432 -7.137 -12.222 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -3.512 -7.013 -9.922 1.00 0.00 H new ATOM 1403 N GLY B 91 2.216 -11.319 -7.788 1.00 0.00 N ATOM 1404 CA GLY B 91 3.474 -11.974 -7.456 1.00 0.00 C ATOM 1405 C GLY B 91 4.419 -11.085 -6.671 1.00 0.00 C ATOM 1406 O GLY B 91 5.639 -11.199 -6.792 1.00 0.00 O ATOM 0 H GLY B 91 1.666 -11.004 -6.989 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.266 -12.874 -6.877 1.00 0.00 H new ATOM 0 HA3 GLY B 91 3.964 -12.293 -8.376 1.00 0.00 H new ATOM 1410 N ILE B 92 3.841 -10.210 -5.865 1.00 0.00 N ATOM 1411 CA ILE B 92 4.584 -9.302 -5.001 1.00 0.00 C ATOM 1412 C ILE B 92 5.618 -10.037 -4.138 1.00 0.00 C ATOM 1413 O ILE B 92 5.377 -11.157 -3.681 1.00 0.00 O ATOM 1414 CB ILE B 92 3.580 -8.533 -4.114 1.00 0.00 C ATOM 1415 CG1 ILE B 92 3.091 -7.287 -4.854 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.164 -8.177 -2.754 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.226 -7.582 -6.063 1.00 0.00 C ATOM 0 H ILE B 92 2.829 -10.107 -5.790 1.00 0.00 H new ATOM 0 HA ILE B 92 5.143 -8.606 -5.627 1.00 0.00 H new ATOM 0 HB ILE B 92 2.731 -9.188 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.526 -6.664 -4.160 1.00 0.00 H new ATOM 0 HG13 ILE B 92 3.956 -6.705 -5.173 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.420 -7.638 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.447 -9.090 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE B 92 5.044 -7.549 -2.889 1.00 0.00 H new ATOM 0 HD11 ILE B 92 1.922 -6.645 -6.530 1.00 0.00 H new ATOM 0 HD12 ILE B 92 2.792 -8.177 -6.779 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.341 -8.136 -5.751 1.00 0.00 H new ATOM 1429 N GLN B 93 6.771 -9.398 -3.931 1.00 0.00 N ATOM 1430 CA GLN B 93 7.847 -9.993 -3.144 1.00 0.00 C ATOM 1431 C GLN B 93 7.629 -9.744 -1.657 1.00 0.00 C ATOM 1432 O GLN B 93 7.634 -8.601 -1.196 1.00 0.00 O ATOM 1433 CB GLN B 93 9.221 -9.458 -3.566 1.00 0.00 C ATOM 1434 CG GLN B 93 9.682 -9.934 -4.938 1.00 0.00 C ATOM 1435 CD GLN B 93 9.143 -9.097 -6.084 1.00 0.00 C ATOM 1436 OE1 GLN B 93 9.770 -8.123 -6.500 1.00 0.00 O ATOM 1437 NE2 GLN B 93 7.992 -9.475 -6.614 1.00 0.00 N ATOM 0 H GLN B 93 6.981 -8.470 -4.298 1.00 0.00 H new ATOM 0 HA GLN B 93 7.829 -11.066 -3.333 1.00 0.00 H new ATOM 0 HB2 GLN B 93 9.191 -8.368 -3.563 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.959 -9.758 -2.823 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.771 -9.921 -4.971 1.00 0.00 H new ATOM 0 HG3 GLN B 93 9.371 -10.969 -5.078 1.00 0.00 H new ATOM 0 HE21 GLN B 93 7.502 -10.288 -6.242 1.00 0.00 H new ATOM 0 HE22 GLN B 93 7.595 -8.953 -7.395 1.00 0.00 H new