USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 775 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 TYR OH : rot 90:sc= 0 USER MOD Set 1.2: B 13 ASN : amide:sc= 0.557 K(o=0.56,f=-3.9!) USER MOD Set 2.1: A 80 CYS SG : rot -77:sc= 0.372 USER MOD Set 2.2: A 82 THR OG1 : rot 137:sc= 0.343 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.325 K(o=-0.21,f=-5.8!) USER MOD Set 3.2: A 19 THR OG1 : rot -19:sc= 0.115 USER MOD Single : A 20 LYS NZ :NH3+ 150:sc= 1.25 (180deg=0.0588) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 1.2 F(o=-0.051,f=1.2) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00108 USER MOD Single : A 38 MET CE :methyl -163:sc=-0.00748 (180deg=-0.62) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.537 K(o=0.54,f=-3.7!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 1.04 K(o=1,f=-3.1!) USER MOD Single : A 59 TYR OH : rot -177:sc= 1.18 USER MOD Single : A 61 CYS SG : rot 170:sc= -0.526 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.174 X(o=0.17,f=-0.072) USER MOD Single : A 73 SER OG : rot 35:sc= 0.0874 USER MOD Single : A 76 SER OG : rot 12:sc= 0.417 USER MOD Single : A 81 GLN : amide:sc= 0.885 K(o=0.89,f=-2.5!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 90 LYS NZ :NH3+ 141:sc= 0.747 (180deg=0.0831) USER MOD Single : A 91 CYS SG : rot -130:sc= 0.399 USER MOD Single : A 92 SER OG : rot -39:sc= 0.0692 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 102 GLN : amide:sc= 0.783 K(o=0.78,f=0) USER MOD Single : A 105 MET CE :methyl 170:sc= -0.0533 (180deg=-0.318) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 9 CYS SG : rot 93:sc= 0.313 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 17 -4.151 -16.116 -6.653 1.00 0.00 N ATOM 203 CA HIS A 17 -3.726 -15.165 -7.694 1.00 0.00 C ATOM 204 C HIS A 17 -2.861 -13.999 -7.128 1.00 0.00 C ATOM 205 O HIS A 17 -3.111 -13.549 -6.004 1.00 0.00 O ATOM 206 CB HIS A 17 -4.980 -14.632 -8.411 1.00 0.00 C ATOM 207 CG HIS A 17 -4.704 -14.028 -9.754 1.00 0.00 C ATOM 208 ND1 HIS A 17 -4.304 -12.710 -9.975 1.00 0.00 N ATOM 209 CD2 HIS A 17 -4.749 -14.692 -10.943 1.00 0.00 C ATOM 210 CE1 HIS A 17 -4.134 -12.612 -11.306 1.00 0.00 C ATOM 211 NE2 HIS A 17 -4.394 -13.783 -11.911 1.00 0.00 N ATOM 0 HA HIS A 17 -3.085 -15.690 -8.402 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.692 -15.449 -8.531 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.457 -13.883 -7.778 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.012 -15.728 -11.095 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.829 -11.712 -11.820 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -4.338 -13.966 -12.913 1.00 0.00 H new ATOM 219 N PRO A 18 -1.860 -13.480 -7.873 1.00 0.00 N ATOM 220 CA PRO A 18 -1.000 -12.387 -7.408 1.00 0.00 C ATOM 221 C PRO A 18 -1.670 -11.001 -7.336 1.00 0.00 C ATOM 222 O PRO A 18 -1.081 -10.107 -6.729 1.00 0.00 O ATOM 223 CB PRO A 18 0.201 -12.378 -8.363 1.00 0.00 C ATOM 224 CG PRO A 18 -0.367 -12.967 -9.651 1.00 0.00 C ATOM 225 CD PRO A 18 -1.330 -14.024 -9.119 1.00 0.00 C ATOM 0 HA PRO A 18 -0.723 -12.573 -6.370 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.584 -11.369 -8.517 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.026 -12.977 -7.977 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.878 -12.215 -10.253 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.411 -13.402 -10.278 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.130 -14.220 -9.833 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.817 -14.970 -8.947 1.00 0.00 H new ATOM 233 N THR A 19 -2.874 -10.801 -7.906 1.00 0.00 N ATOM 234 CA THR A 19 -3.597 -9.504 -7.878 1.00 0.00 C ATOM 235 C THR A 19 -5.065 -9.603 -7.468 1.00 0.00 C ATOM 236 O THR A 19 -5.653 -8.596 -7.069 1.00 0.00 O ATOM 237 CB THR A 19 -3.486 -8.752 -9.212 1.00 0.00 C ATOM 238 OG1 THR A 19 -4.148 -9.468 -10.227 1.00 0.00 O ATOM 239 CG2 THR A 19 -2.039 -8.531 -9.648 1.00 0.00 C ATOM 0 H THR A 19 -3.379 -11.535 -8.402 1.00 0.00 H new ATOM 0 HA THR A 19 -3.090 -8.938 -7.097 1.00 0.00 H new ATOM 0 HB THR A 19 -3.948 -7.777 -9.055 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.258 -10.402 -9.950 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.023 -7.995 -10.597 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.516 -7.946 -8.892 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.544 -9.495 -9.767 1.00 0.00 H new ATOM 247 N LYS A 20 -5.644 -10.805 -7.504 1.00 0.00 N ATOM 248 CA LYS A 20 -6.992 -11.097 -7.000 1.00 0.00 C ATOM 249 C LYS A 20 -6.948 -12.039 -5.787 1.00 0.00 C ATOM 250 O LYS A 20 -6.096 -12.922 -5.691 1.00 0.00 O ATOM 251 CB LYS A 20 -7.858 -11.691 -8.125 1.00 0.00 C ATOM 252 CG LYS A 20 -8.281 -10.669 -9.183 1.00 0.00 C ATOM 253 CD LYS A 20 -7.388 -10.802 -10.424 1.00 0.00 C ATOM 254 CE LYS A 20 -7.325 -9.483 -11.175 1.00 0.00 C ATOM 255 NZ LYS A 20 -8.590 -9.161 -11.883 1.00 0.00 N ATOM 0 H LYS A 20 -5.178 -11.625 -7.894 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.441 -10.161 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.305 -12.495 -8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.751 -12.137 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.324 -10.826 -9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.206 -9.660 -8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.385 -11.107 -10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.777 -11.582 -11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.093 -8.682 -10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.509 -9.520 -11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.706 -8.129 -11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.559 -9.555 -12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.392 -9.574 -11.365 1.00 0.00 H new ATOM 269 N PHE A 21 -7.899 -11.876 -4.869 1.00 0.00 N ATOM 270 CA PHE A 21 -7.974 -12.639 -3.628 1.00 0.00 C ATOM 271 C PHE A 21 -9.438 -12.967 -3.338 1.00 0.00 C ATOM 272 O PHE A 21 -10.259 -12.068 -3.161 1.00 0.00 O ATOM 273 CB PHE A 21 -7.335 -11.825 -2.487 1.00 0.00 C ATOM 274 CG PHE A 21 -5.880 -11.435 -2.704 1.00 0.00 C ATOM 275 CD1 PHE A 21 -5.560 -10.254 -3.404 1.00 0.00 C ATOM 276 CD2 PHE A 21 -4.842 -12.239 -2.194 1.00 0.00 C ATOM 277 CE1 PHE A 21 -4.217 -9.885 -3.598 1.00 0.00 C ATOM 278 CE2 PHE A 21 -3.499 -11.861 -2.373 1.00 0.00 C ATOM 279 CZ PHE A 21 -3.185 -10.684 -3.076 1.00 0.00 C ATOM 0 H PHE A 21 -8.653 -11.196 -4.971 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.424 -13.576 -3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.919 -10.917 -2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.406 -12.404 -1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.350 -9.629 -3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.078 -13.149 -1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.978 -8.987 -4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.708 -12.476 -1.970 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.154 -10.395 -3.214 1.00 0.00 H new ATOM 289 N LYS A 22 -9.783 -14.253 -3.287 1.00 0.00 N ATOM 290 CA LYS A 22 -11.105 -14.690 -2.829 1.00 0.00 C ATOM 291 C LYS A 22 -11.261 -14.386 -1.327 1.00 0.00 C ATOM 292 O LYS A 22 -10.408 -14.753 -0.516 1.00 0.00 O ATOM 293 CB LYS A 22 -11.300 -16.180 -3.161 1.00 0.00 C ATOM 294 CG LYS A 22 -11.655 -16.356 -4.644 1.00 0.00 C ATOM 295 CD LYS A 22 -11.605 -17.830 -5.069 1.00 0.00 C ATOM 296 CE LYS A 22 -12.030 -18.009 -6.534 1.00 0.00 C ATOM 297 NZ LYS A 22 -13.504 -17.930 -6.718 1.00 0.00 N ATOM 0 H LYS A 22 -9.163 -15.016 -3.559 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.889 -14.140 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.389 -16.733 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.092 -16.597 -2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.653 -15.958 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.962 -15.777 -5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.594 -18.215 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.259 -18.418 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.550 -17.243 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.674 -18.973 -6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.736 -18.057 -7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.964 -18.677 -6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.844 -17.000 -6.399 1.00 0.00 H new ATOM 311 N VAL A 23 -12.339 -13.691 -0.975 1.00 0.00 N ATOM 312 CA VAL A 23 -12.609 -13.143 0.367 1.00 0.00 C ATOM 313 C VAL A 23 -14.055 -13.421 0.783 1.00 0.00 C ATOM 314 O VAL A 23 -14.915 -13.642 -0.070 1.00 0.00 O ATOM 315 CB VAL A 23 -12.328 -11.619 0.453 1.00 0.00 C ATOM 316 CG1 VAL A 23 -10.841 -11.266 0.300 1.00 0.00 C ATOM 317 CG2 VAL A 23 -13.145 -10.777 -0.540 1.00 0.00 C ATOM 0 H VAL A 23 -13.084 -13.481 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.927 -13.647 1.052 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.650 -11.362 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.714 -10.186 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.269 -11.750 1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.483 -11.611 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.892 -9.724 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.914 -11.090 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.209 -10.919 -0.349 1.00 0.00 H new ATOM 327 N THR A 24 -14.331 -13.364 2.089 1.00 0.00 N ATOM 328 CA THR A 24 -15.679 -13.504 2.654 1.00 0.00 C ATOM 329 C THR A 24 -15.886 -12.437 3.708 1.00 0.00 C ATOM 330 O THR A 24 -15.157 -12.395 4.691 1.00 0.00 O ATOM 331 CB THR A 24 -15.869 -14.915 3.216 1.00 0.00 C ATOM 332 OG1 THR A 24 -15.854 -15.819 2.130 1.00 0.00 O ATOM 333 CG2 THR A 24 -17.207 -15.086 3.934 1.00 0.00 C ATOM 0 H THR A 24 -13.612 -13.217 2.797 1.00 0.00 H new ATOM 0 HA THR A 24 -16.431 -13.365 1.877 1.00 0.00 H new ATOM 0 HB THR A 24 -15.070 -15.099 3.934 1.00 0.00 H new ATOM 0 HG1 THR A 24 -15.973 -16.733 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.289 -16.105 4.313 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.266 -14.384 4.766 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.022 -14.891 3.237 1.00 0.00 H new ATOM 341 N ASN A 25 -16.872 -11.564 3.507 1.00 0.00 N ATOM 342 CA ASN A 25 -17.212 -10.504 4.455 1.00 0.00 C ATOM 343 C ASN A 25 -17.744 -11.111 5.765 1.00 0.00 C ATOM 344 O ASN A 25 -18.597 -12.003 5.729 1.00 0.00 O ATOM 345 CB ASN A 25 -18.223 -9.550 3.791 1.00 0.00 C ATOM 346 CG ASN A 25 -18.537 -8.306 4.620 1.00 0.00 C ATOM 347 OD1 ASN A 25 -17.540 -7.577 5.086 1.00 0.00 O flip ATOM 348 ND2 ASN A 25 -19.691 -7.960 4.841 1.00 0.00 N flip ATOM 0 H ASN A 25 -17.462 -11.573 2.675 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.325 -9.927 4.718 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.832 -9.240 2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.150 -10.092 3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.468 -8.517 4.485 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -19.875 -7.115 5.381 1.00 0.00 H new ATOM 355 N VAL A 26 -17.235 -10.637 6.908 1.00 0.00 N ATOM 356 CA VAL A 26 -17.570 -11.156 8.242 1.00 0.00 C ATOM 357 C VAL A 26 -18.009 -10.056 9.209 1.00 0.00 C ATOM 358 O VAL A 26 -17.664 -8.886 9.042 1.00 0.00 O ATOM 359 CB VAL A 26 -16.435 -11.997 8.875 1.00 0.00 C ATOM 360 CG1 VAL A 26 -16.108 -13.248 8.049 1.00 0.00 C ATOM 361 CG2 VAL A 26 -15.139 -11.208 9.126 1.00 0.00 C ATOM 0 H VAL A 26 -16.566 -9.867 6.934 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.417 -11.821 8.074 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.834 -12.295 9.845 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.306 -13.805 8.534 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.995 -13.878 7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.791 -12.951 7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.393 -11.866 9.571 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.762 -10.818 8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.343 -10.380 9.805 1.00 0.00 H new ATOM 371 N ASP A 27 -18.786 -10.455 10.218 1.00 0.00 N ATOM 372 CA ASP A 27 -19.361 -9.568 11.234 1.00 0.00 C ATOM 373 C ASP A 27 -18.480 -9.386 12.495 1.00 0.00 C ATOM 374 O ASP A 27 -17.326 -9.816 12.550 1.00 0.00 O ATOM 375 CB ASP A 27 -20.765 -10.083 11.594 1.00 0.00 C ATOM 376 CG ASP A 27 -20.765 -11.172 12.673 1.00 0.00 C ATOM 377 OD1 ASP A 27 -19.824 -12.003 12.699 1.00 0.00 O ATOM 378 OD2 ASP A 27 -21.676 -11.144 13.526 1.00 0.00 O ATOM 0 H ASP A 27 -19.041 -11.433 10.356 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.420 -8.569 10.802 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -21.373 -9.245 11.936 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.240 -10.475 10.695 1.00 0.00 H new ATOM 383 N ASP A 28 -19.060 -8.778 13.536 1.00 0.00 N ATOM 384 CA ASP A 28 -18.453 -8.545 14.855 1.00 0.00 C ATOM 385 C ASP A 28 -18.099 -9.842 15.625 1.00 0.00 C ATOM 386 O ASP A 28 -17.214 -9.819 16.483 1.00 0.00 O ATOM 387 CB ASP A 28 -19.435 -7.664 15.650 1.00 0.00 C ATOM 388 CG ASP A 28 -18.813 -6.960 16.865 1.00 0.00 C ATOM 389 OD1 ASP A 28 -18.779 -7.552 17.967 1.00 0.00 O ATOM 390 OD2 ASP A 28 -18.443 -5.768 16.744 1.00 0.00 O ATOM 0 H ASP A 28 -20.012 -8.417 13.481 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.492 -8.049 14.719 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -19.851 -6.910 14.982 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -20.266 -8.282 15.989 1.00 0.00 H new ATOM 395 N GLU A 29 -18.726 -10.981 15.291 1.00 0.00 N ATOM 396 CA GLU A 29 -18.414 -12.311 15.846 1.00 0.00 C ATOM 397 C GLU A 29 -17.455 -13.124 14.955 1.00 0.00 C ATOM 398 O GLU A 29 -16.978 -14.186 15.365 1.00 0.00 O ATOM 399 CB GLU A 29 -19.692 -13.147 16.063 1.00 0.00 C ATOM 400 CG GLU A 29 -20.823 -12.415 16.791 1.00 0.00 C ATOM 401 CD GLU A 29 -21.805 -13.406 17.433 1.00 0.00 C ATOM 402 OE1 GLU A 29 -22.762 -13.855 16.760 1.00 0.00 O ATOM 403 OE2 GLU A 29 -21.631 -13.742 18.631 1.00 0.00 O ATOM 0 H GLU A 29 -19.484 -11.005 14.609 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.924 -12.115 16.800 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -20.060 -13.481 15.093 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -19.432 -14.041 16.630 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -20.404 -11.766 17.559 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -21.356 -11.774 16.089 1.00 0.00 H new ATOM 410 N GLY A 30 -17.188 -12.658 13.728 1.00 0.00 N ATOM 411 CA GLY A 30 -16.426 -13.380 12.707 1.00 0.00 C ATOM 412 C GLY A 30 -17.247 -14.406 11.917 1.00 0.00 C ATOM 413 O GLY A 30 -16.637 -15.255 11.266 1.00 0.00 O ATOM 0 H GLY A 30 -17.506 -11.742 13.412 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.000 -12.658 12.010 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.591 -13.891 13.187 1.00 0.00 H new ATOM 417 N VAL A 31 -18.586 -14.361 11.945 1.00 0.00 N ATOM 418 CA VAL A 31 -19.414 -15.254 11.108 1.00 0.00 C ATOM 419 C VAL A 31 -19.463 -14.773 9.665 1.00 0.00 C ATOM 420 O VAL A 31 -19.384 -13.578 9.389 1.00 0.00 O ATOM 421 CB VAL A 31 -20.859 -15.505 11.591 1.00 0.00 C ATOM 422 CG1 VAL A 31 -20.853 -16.388 12.841 1.00 0.00 C ATOM 423 CG2 VAL A 31 -21.720 -14.259 11.789 1.00 0.00 C ATOM 0 H VAL A 31 -19.121 -13.721 12.533 1.00 0.00 H new ATOM 0 HA VAL A 31 -18.899 -16.211 11.195 1.00 0.00 H new ATOM 0 HB VAL A 31 -21.348 -16.026 10.768 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -21.878 -16.558 13.172 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.384 -17.344 12.609 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.293 -15.892 13.634 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -22.713 -14.553 12.129 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -21.258 -13.612 12.535 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -21.804 -13.721 10.845 1.00 0.00 H new ATOM 433 N GLU A 32 -19.603 -15.733 8.757 1.00 0.00 N ATOM 434 CA GLU A 32 -19.515 -15.522 7.314 1.00 0.00 C ATOM 435 C GLU A 32 -20.868 -15.110 6.723 1.00 0.00 C ATOM 436 O GLU A 32 -21.881 -15.787 6.924 1.00 0.00 O ATOM 437 CB GLU A 32 -19.009 -16.810 6.642 1.00 0.00 C ATOM 438 CG GLU A 32 -17.568 -17.175 7.032 1.00 0.00 C ATOM 439 CD GLU A 32 -17.173 -18.541 6.448 1.00 0.00 C ATOM 440 OE1 GLU A 32 -17.454 -19.579 7.094 1.00 0.00 O ATOM 441 OE2 GLU A 32 -16.574 -18.590 5.349 1.00 0.00 O ATOM 0 H GLU A 32 -19.785 -16.704 9.009 1.00 0.00 H new ATOM 0 HA GLU A 32 -18.814 -14.709 7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.670 -17.634 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.066 -16.693 5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -16.883 -16.408 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.475 -17.198 8.118 1.00 0.00 H new ATOM 448 N LEU A 33 -20.875 -13.993 5.987 1.00 0.00 N ATOM 449 CA LEU A 33 -22.096 -13.331 5.511 1.00 0.00 C ATOM 450 C LEU A 33 -22.281 -13.487 3.997 1.00 0.00 C ATOM 451 O LEU A 33 -23.347 -13.905 3.538 1.00 0.00 O ATOM 452 CB LEU A 33 -22.030 -11.841 5.890 1.00 0.00 C ATOM 453 CG LEU A 33 -21.688 -11.552 7.365 1.00 0.00 C ATOM 454 CD1 LEU A 33 -21.623 -10.036 7.535 1.00 0.00 C ATOM 455 CD2 LEU A 33 -22.701 -12.183 8.329 1.00 0.00 C ATOM 0 H LEU A 33 -20.020 -13.516 5.701 1.00 0.00 H new ATOM 0 HA LEU A 33 -22.955 -13.805 5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.285 -11.355 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -22.991 -11.381 5.660 1.00 0.00 H new ATOM 0 HG LEU A 33 -20.727 -12.003 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -21.382 -9.796 8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.853 -9.629 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -22.587 -9.599 7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -22.418 -11.952 9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -23.694 -11.782 8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -22.711 -13.264 8.190 1.00 0.00 H new ATOM 467 N GLY A 34 -21.235 -13.158 3.234 1.00 0.00 N ATOM 468 CA GLY A 34 -21.202 -13.260 1.768 1.00 0.00 C ATOM 469 C GLY A 34 -19.792 -13.309 1.184 1.00 0.00 C ATOM 470 O GLY A 34 -18.884 -12.634 1.670 1.00 0.00 O ATOM 0 H GLY A 34 -20.363 -12.804 3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.742 -14.156 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.732 -12.408 1.342 1.00 0.00 H new ATOM 474 N SER A 35 -19.610 -14.093 0.125 1.00 0.00 N ATOM 475 CA SER A 35 -18.335 -14.270 -0.588 1.00 0.00 C ATOM 476 C SER A 35 -18.145 -13.259 -1.740 1.00 0.00 C ATOM 477 O SER A 35 -19.108 -12.794 -2.359 1.00 0.00 O ATOM 478 CB SER A 35 -18.229 -15.718 -1.097 1.00 0.00 C ATOM 479 OG SER A 35 -19.364 -16.118 -1.863 1.00 0.00 O ATOM 0 H SER A 35 -20.367 -14.644 -0.279 1.00 0.00 H new ATOM 0 HA SER A 35 -17.530 -14.071 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.331 -15.820 -1.706 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.115 -16.390 -0.246 1.00 0.00 H new ATOM 0 HG SER A 35 -19.246 -17.043 -2.164 1.00 0.00 H new ATOM 485 N GLY A 36 -16.883 -12.925 -2.035 1.00 0.00 N ATOM 486 CA GLY A 36 -16.459 -11.957 -3.049 1.00 0.00 C ATOM 487 C GLY A 36 -15.011 -12.157 -3.499 1.00 0.00 C ATOM 488 O GLY A 36 -14.272 -12.949 -2.907 1.00 0.00 O ATOM 0 H GLY A 36 -16.091 -13.345 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.117 -12.035 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.574 -10.949 -2.651 1.00 0.00 H new ATOM 492 N VAL A 37 -14.588 -11.420 -4.525 1.00 0.00 N ATOM 493 CA VAL A 37 -13.181 -11.327 -4.948 1.00 0.00 C ATOM 494 C VAL A 37 -12.711 -9.890 -4.737 1.00 0.00 C ATOM 495 O VAL A 37 -13.271 -8.961 -5.317 1.00 0.00 O ATOM 496 CB VAL A 37 -12.975 -11.755 -6.419 1.00 0.00 C ATOM 497 CG1 VAL A 37 -11.491 -11.679 -6.818 1.00 0.00 C ATOM 498 CG2 VAL A 37 -13.479 -13.182 -6.672 1.00 0.00 C ATOM 0 H VAL A 37 -15.219 -10.860 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.591 -12.017 -4.345 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.554 -11.060 -7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.378 -11.986 -7.858 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.135 -10.656 -6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.908 -12.342 -6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.316 -13.445 -7.717 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.935 -13.878 -6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.544 -13.237 -6.445 1.00 0.00 H new ATOM 508 N MET A 38 -11.675 -9.717 -3.920 1.00 0.00 N ATOM 509 CA MET A 38 -10.971 -8.447 -3.756 1.00 0.00 C ATOM 510 C MET A 38 -9.884 -8.328 -4.826 1.00 0.00 C ATOM 511 O MET A 38 -9.104 -9.256 -5.040 1.00 0.00 O ATOM 512 CB MET A 38 -10.397 -8.349 -2.334 1.00 0.00 C ATOM 513 CG MET A 38 -9.844 -6.946 -2.051 1.00 0.00 C ATOM 514 SD MET A 38 -11.101 -5.643 -1.967 1.00 0.00 S ATOM 515 CE MET A 38 -11.617 -5.880 -0.251 1.00 0.00 C ATOM 0 H MET A 38 -11.294 -10.468 -3.344 1.00 0.00 H new ATOM 0 HA MET A 38 -11.661 -7.613 -3.886 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.174 -8.589 -1.609 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.605 -9.087 -2.208 1.00 0.00 H new ATOM 0 HG2 MET A 38 -9.299 -6.968 -1.107 1.00 0.00 H new ATOM 0 HG3 MET A 38 -9.125 -6.689 -2.829 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.577 -5.390 -0.089 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.714 -6.946 -0.044 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.872 -5.447 0.416 1.00 0.00 H new ATOM 525 N GLU A 39 -9.838 -7.180 -5.492 1.00 0.00 N ATOM 526 CA GLU A 39 -8.884 -6.852 -6.547 1.00 0.00 C ATOM 527 C GLU A 39 -8.048 -5.644 -6.110 1.00 0.00 C ATOM 528 O GLU A 39 -8.596 -4.600 -5.732 1.00 0.00 O ATOM 529 CB GLU A 39 -9.659 -6.573 -7.845 1.00 0.00 C ATOM 530 CG GLU A 39 -8.748 -6.193 -9.021 1.00 0.00 C ATOM 531 CD GLU A 39 -9.531 -6.021 -10.332 1.00 0.00 C ATOM 532 OE1 GLU A 39 -10.637 -5.434 -10.316 1.00 0.00 O ATOM 533 OE2 GLU A 39 -9.044 -6.492 -11.385 1.00 0.00 O ATOM 0 H GLU A 39 -10.492 -6.420 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.202 -7.682 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.238 -7.457 -8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.371 -5.767 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.225 -5.265 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.988 -6.963 -9.153 1.00 0.00 H new ATOM 540 N LEU A 40 -6.723 -5.809 -6.194 1.00 0.00 N ATOM 541 CA LEU A 40 -5.700 -4.798 -5.932 1.00 0.00 C ATOM 542 C LEU A 40 -5.041 -4.435 -7.266 1.00 0.00 C ATOM 543 O LEU A 40 -4.591 -5.307 -8.017 1.00 0.00 O ATOM 544 CB LEU A 40 -4.641 -5.332 -4.944 1.00 0.00 C ATOM 545 CG LEU A 40 -5.024 -5.305 -3.449 1.00 0.00 C ATOM 546 CD1 LEU A 40 -6.122 -6.309 -3.081 1.00 0.00 C ATOM 547 CD2 LEU A 40 -3.779 -5.635 -2.617 1.00 0.00 C ATOM 0 H LEU A 40 -6.316 -6.705 -6.462 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.158 -3.918 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.405 -6.360 -5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.728 -4.750 -5.074 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.410 -4.307 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.340 -6.235 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.023 -6.088 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.784 -7.319 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.035 -5.620 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.413 -6.625 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.003 -4.895 -2.814 1.00 0.00 H new ATOM 559 N THR A 41 -4.992 -3.136 -7.556 1.00 0.00 N ATOM 560 CA THR A 41 -4.581 -2.543 -8.832 1.00 0.00 C ATOM 561 C THR A 41 -4.211 -1.089 -8.578 1.00 0.00 C ATOM 562 O THR A 41 -4.715 -0.487 -7.633 1.00 0.00 O ATOM 563 CB THR A 41 -5.699 -2.733 -9.874 1.00 0.00 C ATOM 564 OG1 THR A 41 -5.438 -1.921 -10.989 1.00 0.00 O ATOM 565 CG2 THR A 41 -7.108 -2.382 -9.379 1.00 0.00 C ATOM 0 H THR A 41 -5.252 -2.428 -6.870 1.00 0.00 H new ATOM 0 HA THR A 41 -3.702 -3.036 -9.248 1.00 0.00 H new ATOM 0 HB THR A 41 -5.691 -3.797 -10.108 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.147 -2.041 -11.655 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.827 -2.547 -10.181 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.362 -3.013 -8.528 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.137 -1.335 -9.076 1.00 0.00 H new ATOM 573 N GLN A 42 -3.317 -0.524 -9.387 1.00 0.00 N ATOM 574 CA GLN A 42 -2.733 0.809 -9.192 1.00 0.00 C ATOM 575 C GLN A 42 -3.776 1.944 -9.110 1.00 0.00 C ATOM 576 O GLN A 42 -3.464 3.014 -8.595 1.00 0.00 O ATOM 577 CB GLN A 42 -1.718 1.097 -10.320 1.00 0.00 C ATOM 578 CG GLN A 42 -0.367 0.364 -10.184 1.00 0.00 C ATOM 579 CD GLN A 42 -0.386 -1.141 -10.481 1.00 0.00 C ATOM 580 OE1 GLN A 42 -1.330 -1.706 -11.019 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.665 -1.858 -10.138 1.00 0.00 N ATOM 0 H GLN A 42 -2.966 -0.992 -10.222 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.235 0.792 -8.223 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.169 0.822 -11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.530 2.170 -10.354 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.350 0.838 -10.855 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.002 0.509 -9.169 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.463 -1.410 -9.689 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.680 -2.861 -10.322 1.00 0.00 H new ATOM 590 N SER A 43 -5.012 1.727 -9.569 1.00 0.00 N ATOM 591 CA SER A 43 -6.097 2.714 -9.485 1.00 0.00 C ATOM 592 C SER A 43 -6.740 2.803 -8.083 1.00 0.00 C ATOM 593 O SER A 43 -6.843 3.903 -7.535 1.00 0.00 O ATOM 594 CB SER A 43 -7.144 2.401 -10.566 1.00 0.00 C ATOM 595 OG SER A 43 -8.082 3.458 -10.727 1.00 0.00 O ATOM 0 H SER A 43 -5.292 0.853 -10.014 1.00 0.00 H new ATOM 0 HA SER A 43 -5.665 3.699 -9.662 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.640 2.217 -11.515 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.673 1.485 -10.303 1.00 0.00 H new ATOM 0 HG SER A 43 -8.728 3.219 -11.424 1.00 0.00 H new ATOM 601 N GLU A 44 -7.170 1.674 -7.492 1.00 0.00 N ATOM 602 CA GLU A 44 -7.976 1.597 -6.256 1.00 0.00 C ATOM 603 C GLU A 44 -8.265 0.140 -5.828 1.00 0.00 C ATOM 604 O GLU A 44 -7.964 -0.799 -6.570 1.00 0.00 O ATOM 605 CB GLU A 44 -9.302 2.381 -6.402 1.00 0.00 C ATOM 606 CG GLU A 44 -10.285 1.828 -7.441 1.00 0.00 C ATOM 607 CD GLU A 44 -11.493 2.764 -7.630 1.00 0.00 C ATOM 608 OE1 GLU A 44 -11.979 3.358 -6.639 1.00 0.00 O ATOM 609 OE2 GLU A 44 -11.964 2.911 -8.782 1.00 0.00 O ATOM 0 H GLU A 44 -6.958 0.753 -7.876 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.377 2.058 -5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.799 2.403 -5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.067 3.413 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.773 1.697 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.632 0.843 -7.127 1.00 0.00 H new ATOM 616 N LEU A 45 -8.898 -0.059 -4.659 1.00 0.00 N ATOM 617 CA LEU A 45 -9.434 -1.359 -4.231 1.00 0.00 C ATOM 618 C LEU A 45 -10.857 -1.561 -4.766 1.00 0.00 C ATOM 619 O LEU A 45 -11.667 -0.633 -4.723 1.00 0.00 O ATOM 620 CB LEU A 45 -9.464 -1.445 -2.688 1.00 0.00 C ATOM 621 CG LEU A 45 -8.207 -2.038 -2.035 1.00 0.00 C ATOM 622 CD1 LEU A 45 -8.393 -2.110 -0.516 1.00 0.00 C ATOM 623 CD2 LEU A 45 -7.932 -3.458 -2.536 1.00 0.00 C ATOM 0 H LEU A 45 -9.052 0.686 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.784 -2.137 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.622 -0.443 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.324 -2.045 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.370 -1.391 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.498 -2.532 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.564 -1.108 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.250 -2.742 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.035 -3.847 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.780 -4.099 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.784 -3.441 -3.616 1.00 0.00 H new ATOM 635 N VAL A 46 -11.170 -2.779 -5.222 1.00 0.00 N ATOM 636 CA VAL A 46 -12.501 -3.148 -5.739 1.00 0.00 C ATOM 637 C VAL A 46 -12.931 -4.541 -5.257 1.00 0.00 C ATOM 638 O VAL A 46 -12.152 -5.489 -5.339 1.00 0.00 O ATOM 639 CB VAL A 46 -12.536 -3.095 -7.289 1.00 0.00 C ATOM 640 CG1 VAL A 46 -13.950 -3.377 -7.824 1.00 0.00 C ATOM 641 CG2 VAL A 46 -12.074 -1.736 -7.851 1.00 0.00 C ATOM 0 H VAL A 46 -10.501 -3.549 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.206 -2.416 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.842 -3.867 -7.622 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.942 -3.333 -8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.269 -4.369 -7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.642 -2.630 -7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.120 -1.758 -8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.726 -0.947 -7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.049 -1.541 -7.535 1.00 0.00 H new ATOM 651 N LEU A 47 -14.184 -4.664 -4.799 1.00 0.00 N ATOM 652 CA LEU A 47 -14.869 -5.933 -4.531 1.00 0.00 C ATOM 653 C LEU A 47 -15.807 -6.290 -5.684 1.00 0.00 C ATOM 654 O LEU A 47 -16.668 -5.499 -6.085 1.00 0.00 O ATOM 655 CB LEU A 47 -15.718 -5.883 -3.247 1.00 0.00 C ATOM 656 CG LEU A 47 -14.974 -6.131 -1.927 1.00 0.00 C ATOM 657 CD1 LEU A 47 -15.981 -6.056 -0.774 1.00 0.00 C ATOM 658 CD2 LEU A 47 -14.297 -7.501 -1.836 1.00 0.00 C ATOM 0 H LEU A 47 -14.768 -3.853 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.084 -6.680 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -16.196 -4.905 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.514 -6.622 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.196 -5.370 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.466 -6.230 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -16.443 -5.069 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.751 -6.815 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.794 -7.595 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.048 -8.285 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.566 -7.599 -2.638 1.00 0.00 H new ATOM 670 N HIS A 48 -15.678 -7.539 -6.115 1.00 0.00 N ATOM 671 CA HIS A 48 -16.538 -8.237 -7.069 1.00 0.00 C ATOM 672 C HIS A 48 -17.340 -9.346 -6.367 1.00 0.00 C ATOM 673 O HIS A 48 -16.793 -10.052 -5.516 1.00 0.00 O ATOM 674 CB HIS A 48 -15.651 -8.828 -8.172 1.00 0.00 C ATOM 675 CG HIS A 48 -14.833 -7.801 -8.907 1.00 0.00 C ATOM 676 ND1 HIS A 48 -15.339 -6.833 -9.777 1.00 0.00 N ATOM 677 CD2 HIS A 48 -13.479 -7.656 -8.812 1.00 0.00 C ATOM 678 CE1 HIS A 48 -14.272 -6.124 -10.182 1.00 0.00 C ATOM 679 NE2 HIS A 48 -13.143 -6.591 -9.620 1.00 0.00 N ATOM 0 H HIS A 48 -14.918 -8.134 -5.786 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.254 -7.539 -7.502 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.980 -9.565 -7.730 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.280 -9.358 -8.887 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.804 -8.257 -8.221 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.315 -5.290 -10.867 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.203 -6.222 -9.766 1.00 0.00 H new ATOM 687 N LEU A 49 -18.618 -9.512 -6.719 1.00 0.00 N ATOM 688 CA LEU A 49 -19.565 -10.421 -6.069 1.00 0.00 C ATOM 689 C LEU A 49 -20.655 -10.884 -7.064 1.00 0.00 C ATOM 690 O LEU A 49 -20.389 -10.992 -8.262 1.00 0.00 O ATOM 691 CB LEU A 49 -20.074 -9.793 -4.749 1.00 0.00 C ATOM 692 CG LEU A 49 -20.731 -8.393 -4.819 1.00 0.00 C ATOM 693 CD1 LEU A 49 -21.750 -8.246 -3.678 1.00 0.00 C ATOM 694 CD2 LEU A 49 -19.687 -7.268 -4.692 1.00 0.00 C ATOM 0 H LEU A 49 -19.037 -8.997 -7.494 1.00 0.00 H new ATOM 0 HA LEU A 49 -19.072 -11.346 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -20.797 -10.480 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -19.231 -9.733 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 49 -21.221 -8.306 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -22.212 -7.260 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -22.519 -9.013 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -21.243 -8.361 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -20.186 -6.301 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -19.170 -7.357 -3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -18.964 -7.349 -5.504 1.00 0.00 H new ATOM 786 N ALA A 54 -21.196 -3.831 -7.592 1.00 0.00 N ATOM 787 CA ALA A 54 -19.788 -3.876 -7.183 1.00 0.00 C ATOM 788 C ALA A 54 -19.423 -2.664 -6.301 1.00 0.00 C ATOM 789 O ALA A 54 -20.109 -1.636 -6.334 1.00 0.00 O ATOM 790 CB ALA A 54 -18.917 -3.959 -8.444 1.00 0.00 C ATOM 0 HA ALA A 54 -19.607 -4.759 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.866 -3.993 -8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -19.171 -4.860 -9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -19.095 -3.083 -9.068 1.00 0.00 H new ATOM 796 N VAL A 55 -18.342 -2.770 -5.521 1.00 0.00 N ATOM 797 CA VAL A 55 -18.003 -1.776 -4.481 1.00 0.00 C ATOM 798 C VAL A 55 -16.529 -1.380 -4.542 1.00 0.00 C ATOM 799 O VAL A 55 -15.665 -2.241 -4.672 1.00 0.00 O ATOM 800 CB VAL A 55 -18.363 -2.258 -3.057 1.00 0.00 C ATOM 801 CG1 VAL A 55 -18.315 -1.083 -2.071 1.00 0.00 C ATOM 802 CG2 VAL A 55 -19.772 -2.861 -2.961 1.00 0.00 C ATOM 0 H VAL A 55 -17.677 -3.540 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 55 -18.612 -0.898 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 55 -17.629 -3.027 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.571 -1.436 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -17.311 -0.658 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -19.029 -0.320 -2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -19.962 -3.180 -1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -20.509 -2.112 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.846 -3.720 -3.628 1.00 0.00 H new ATOM 812 N ARG A 56 -16.265 -0.073 -4.462 1.00 0.00 N ATOM 813 CA ARG A 56 -14.961 0.550 -4.704 1.00 0.00 C ATOM 814 C ARG A 56 -14.491 1.427 -3.530 1.00 0.00 C ATOM 815 O ARG A 56 -15.304 2.105 -2.893 1.00 0.00 O ATOM 816 CB ARG A 56 -15.076 1.437 -5.951 1.00 0.00 C ATOM 817 CG ARG A 56 -15.585 0.723 -7.214 1.00 0.00 C ATOM 818 CD ARG A 56 -15.707 1.756 -8.335 1.00 0.00 C ATOM 819 NE ARG A 56 -16.103 1.136 -9.611 1.00 0.00 N ATOM 820 CZ ARG A 56 -16.225 1.762 -10.777 1.00 0.00 C ATOM 821 NH1 ARG A 56 -15.960 3.046 -10.908 1.00 0.00 N ATOM 822 NH2 ARG A 56 -16.621 1.100 -11.842 1.00 0.00 N ATOM 0 H ARG A 56 -16.984 0.608 -4.217 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.231 -0.250 -4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.746 2.267 -5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.097 1.866 -6.164 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.898 -0.072 -7.504 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.551 0.255 -7.022 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.441 2.511 -8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.754 2.270 -8.461 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.302 0.136 -9.599 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.652 3.588 -10.101 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.063 3.498 -11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.835 0.105 -11.774 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.714 1.582 -12.736 1.00 0.00 H new ATOM 836 N TRP A 57 -13.174 1.482 -3.303 1.00 0.00 N ATOM 837 CA TRP A 57 -12.517 2.352 -2.315 1.00 0.00 C ATOM 838 C TRP A 57 -11.153 2.866 -2.833 1.00 0.00 C ATOM 839 O TRP A 57 -10.248 2.046 -3.027 1.00 0.00 O ATOM 840 CB TRP A 57 -12.301 1.597 -0.992 1.00 0.00 C ATOM 841 CG TRP A 57 -13.528 1.109 -0.284 1.00 0.00 C ATOM 842 CD1 TRP A 57 -14.222 1.763 0.677 1.00 0.00 C ATOM 843 CD2 TRP A 57 -14.207 -0.167 -0.465 1.00 0.00 C ATOM 844 NE1 TRP A 57 -15.268 0.972 1.117 1.00 0.00 N ATOM 845 CE2 TRP A 57 -15.302 -0.233 0.451 1.00 0.00 C ATOM 846 CE3 TRP A 57 -14.001 -1.275 -1.315 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -16.132 -1.359 0.539 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -14.858 -2.387 -1.266 1.00 0.00 C ATOM 849 CH2 TRP A 57 -15.912 -2.431 -0.337 1.00 0.00 C ATOM 0 H TRP A 57 -12.511 0.903 -3.819 1.00 0.00 H new ATOM 0 HA TRP A 57 -13.173 3.206 -2.148 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.660 0.738 -1.192 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.755 2.251 -0.313 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.994 2.753 1.044 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -15.930 1.246 1.843 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -13.175 -1.268 -2.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.927 -1.400 1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.706 -3.212 -1.946 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.557 -3.297 -0.298 1.00 0.00 H new ATOM 860 N PRO A 58 -10.960 4.190 -3.021 1.00 0.00 N ATOM 861 CA PRO A 58 -9.666 4.754 -3.395 1.00 0.00 C ATOM 862 C PRO A 58 -8.688 4.670 -2.226 1.00 0.00 C ATOM 863 O PRO A 58 -9.081 4.784 -1.065 1.00 0.00 O ATOM 864 CB PRO A 58 -9.942 6.207 -3.785 1.00 0.00 C ATOM 865 CG PRO A 58 -11.155 6.571 -2.937 1.00 0.00 C ATOM 866 CD PRO A 58 -11.937 5.258 -2.846 1.00 0.00 C ATOM 0 HA PRO A 58 -9.208 4.207 -4.219 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.090 6.851 -3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.151 6.305 -4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.861 6.932 -1.951 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.747 7.359 -3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.441 5.171 -1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.708 5.210 -3.615 1.00 0.00 H new ATOM 874 N TYR A 59 -7.395 4.519 -2.527 1.00 0.00 N ATOM 875 CA TYR A 59 -6.344 4.443 -1.505 1.00 0.00 C ATOM 876 C TYR A 59 -6.263 5.707 -0.627 1.00 0.00 C ATOM 877 O TYR A 59 -5.940 5.612 0.556 1.00 0.00 O ATOM 878 CB TYR A 59 -4.999 4.144 -2.180 1.00 0.00 C ATOM 879 CG TYR A 59 -4.947 2.817 -2.918 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.178 1.612 -2.225 1.00 0.00 C ATOM 881 CD2 TYR A 59 -4.673 2.781 -4.300 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.167 0.383 -2.905 1.00 0.00 C ATOM 883 CE2 TYR A 59 -4.643 1.551 -4.985 1.00 0.00 C ATOM 884 CZ TYR A 59 -4.909 0.349 -4.291 1.00 0.00 C ATOM 885 OH TYR A 59 -4.929 -0.840 -4.950 1.00 0.00 O ATOM 0 H TYR A 59 -7.047 4.446 -3.483 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.600 3.630 -0.825 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.773 4.946 -2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.216 4.155 -1.422 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.365 1.634 -1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.485 3.700 -4.836 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.356 -0.534 -2.367 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.417 1.526 -6.041 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.693 -0.697 -5.890 1.00 0.00 H new ATOM 895 N LEU A 60 -6.669 6.865 -1.168 1.00 0.00 N ATOM 896 CA LEU A 60 -6.814 8.142 -0.454 1.00 0.00 C ATOM 897 C LEU A 60 -7.761 8.026 0.750 1.00 0.00 C ATOM 898 O LEU A 60 -7.477 8.582 1.810 1.00 0.00 O ATOM 899 CB LEU A 60 -7.347 9.215 -1.426 1.00 0.00 C ATOM 900 CG LEU A 60 -6.350 9.859 -2.410 1.00 0.00 C ATOM 901 CD1 LEU A 60 -5.390 10.842 -1.737 1.00 0.00 C ATOM 902 CD2 LEU A 60 -5.599 8.858 -3.301 1.00 0.00 C ATOM 0 H LEU A 60 -6.915 6.940 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.831 8.425 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.151 8.767 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.792 10.013 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.985 10.436 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.715 11.260 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.960 11.646 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.810 10.321 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.920 9.397 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.028 8.171 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.315 8.294 -3.899 1.00 0.00 H new ATOM 914 N CYS A 61 -8.863 7.277 0.607 1.00 0.00 N ATOM 915 CA CYS A 61 -9.814 7.027 1.701 1.00 0.00 C ATOM 916 C CYS A 61 -9.293 6.059 2.779 1.00 0.00 C ATOM 917 O CYS A 61 -9.832 6.059 3.888 1.00 0.00 O ATOM 918 CB CYS A 61 -11.149 6.532 1.121 1.00 0.00 C ATOM 919 SG CYS A 61 -12.023 7.920 0.345 1.00 0.00 S ATOM 0 H CYS A 61 -9.121 6.827 -0.271 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.956 7.978 2.214 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.970 5.746 0.388 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.762 6.098 1.911 1.00 0.00 H new ATOM 0 HG CYS A 61 -13.040 7.470 -0.328 1.00 0.00 H new ATOM 925 N LEU A 62 -8.251 5.265 2.505 1.00 0.00 N ATOM 926 CA LEU A 62 -7.731 4.250 3.429 1.00 0.00 C ATOM 927 C LEU A 62 -6.745 4.870 4.429 1.00 0.00 C ATOM 928 O LEU A 62 -5.525 4.766 4.292 1.00 0.00 O ATOM 929 CB LEU A 62 -7.109 3.071 2.656 1.00 0.00 C ATOM 930 CG LEU A 62 -8.002 2.401 1.596 1.00 0.00 C ATOM 931 CD1 LEU A 62 -7.252 1.191 1.028 1.00 0.00 C ATOM 932 CD2 LEU A 62 -9.371 1.962 2.134 1.00 0.00 C ATOM 0 H LEU A 62 -7.739 5.310 1.624 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.565 3.852 4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.202 3.425 2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.806 2.312 3.377 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.207 3.141 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.869 0.702 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.318 1.522 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.035 0.487 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.945 1.498 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.231 1.244 2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.910 2.831 2.510 1.00 0.00 H new ATOM 944 N ARG A 63 -7.295 5.487 5.480 1.00 0.00 N ATOM 945 CA ARG A 63 -6.522 6.024 6.612 1.00 0.00 C ATOM 946 C ARG A 63 -5.695 4.954 7.341 1.00 0.00 C ATOM 947 O ARG A 63 -4.611 5.246 7.849 1.00 0.00 O ATOM 948 CB ARG A 63 -7.424 6.777 7.605 1.00 0.00 C ATOM 949 CG ARG A 63 -8.645 6.016 8.158 1.00 0.00 C ATOM 950 CD ARG A 63 -9.939 6.176 7.340 1.00 0.00 C ATOM 951 NE ARG A 63 -10.559 7.498 7.536 1.00 0.00 N ATOM 952 CZ ARG A 63 -10.615 8.509 6.676 1.00 0.00 C ATOM 953 NH1 ARG A 63 -10.200 8.430 5.434 1.00 0.00 N ATOM 954 NH2 ARG A 63 -11.108 9.671 7.032 1.00 0.00 N ATOM 0 H ARG A 63 -8.301 5.631 5.573 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.814 6.730 6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.810 7.091 8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.782 7.683 7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.398 4.956 8.214 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.833 6.354 9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.719 6.033 6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.647 5.398 7.626 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.999 7.656 8.443 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.808 7.557 5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.269 9.242 4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.455 9.808 7.981 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.144 10.437 6.360 1.00 0.00 H new ATOM 968 N ARG A 64 -6.194 3.712 7.354 1.00 0.00 N ATOM 969 CA ARG A 64 -5.520 2.535 7.913 1.00 0.00 C ATOM 970 C ARG A 64 -5.969 1.238 7.212 1.00 0.00 C ATOM 971 O ARG A 64 -7.123 1.125 6.790 1.00 0.00 O ATOM 972 CB ARG A 64 -5.693 2.495 9.449 1.00 0.00 C ATOM 973 CG ARG A 64 -6.955 1.763 9.934 1.00 0.00 C ATOM 974 CD ARG A 64 -7.120 1.754 11.457 1.00 0.00 C ATOM 975 NE ARG A 64 -7.471 3.079 12.001 1.00 0.00 N ATOM 976 CZ ARG A 64 -7.757 3.343 13.271 1.00 0.00 C ATOM 977 NH1 ARG A 64 -7.698 2.417 14.207 1.00 0.00 N ATOM 978 NH2 ARG A 64 -8.115 4.558 13.623 1.00 0.00 N ATOM 0 H ARG A 64 -7.110 3.492 6.962 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.451 2.616 7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.819 2.013 9.887 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.715 3.518 9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.831 2.233 9.486 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.927 0.734 9.575 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.895 1.037 11.730 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.193 1.412 11.916 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.496 3.860 11.346 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.426 1.464 13.965 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.924 2.653 15.173 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.173 5.296 12.921 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.335 4.763 14.598 1.00 0.00 H new ATOM 992 N TYR A 65 -5.069 0.256 7.126 1.00 0.00 N ATOM 993 CA TYR A 65 -5.275 -1.040 6.458 1.00 0.00 C ATOM 994 C TYR A 65 -4.502 -2.154 7.195 1.00 0.00 C ATOM 995 O TYR A 65 -3.272 -2.153 7.241 1.00 0.00 O ATOM 996 CB TYR A 65 -4.896 -0.932 4.968 1.00 0.00 C ATOM 997 CG TYR A 65 -3.470 -0.493 4.651 1.00 0.00 C ATOM 998 CD1 TYR A 65 -3.120 0.872 4.707 1.00 0.00 C ATOM 999 CD2 TYR A 65 -2.496 -1.444 4.282 1.00 0.00 C ATOM 1000 CE1 TYR A 65 -1.812 1.285 4.393 1.00 0.00 C ATOM 1001 CE2 TYR A 65 -1.185 -1.037 3.963 1.00 0.00 C ATOM 1002 CZ TYR A 65 -0.842 0.334 4.009 1.00 0.00 C ATOM 1003 OH TYR A 65 0.417 0.741 3.686 1.00 0.00 O ATOM 0 H TYR A 65 -4.138 0.341 7.535 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.330 -1.312 6.500 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.063 -1.904 4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.581 -0.230 4.493 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.860 1.605 4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.757 -2.491 4.244 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.550 2.331 4.446 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.444 -1.771 3.684 1.00 0.00 H new ATOM 0 HH TYR A 65 0.976 0.745 4.491 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.233 -3.080 7.825 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.703 -4.066 8.774 1.00 0.00 C ATOM 1015 C GLY A 66 -4.883 -5.518 8.346 1.00 0.00 C ATOM 1016 O GLY A 66 -5.722 -5.846 7.503 1.00 0.00 O ATOM 0 H GLY A 66 -6.240 -3.167 7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.640 -3.874 8.922 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.191 -3.922 9.738 1.00 0.00 H new ATOM 1020 N TYR A 67 -4.116 -6.395 8.991 1.00 0.00 N ATOM 1021 CA TYR A 67 -4.117 -7.841 8.767 1.00 0.00 C ATOM 1022 C TYR A 67 -3.856 -8.626 10.072 1.00 0.00 C ATOM 1023 O TYR A 67 -3.064 -8.220 10.927 1.00 0.00 O ATOM 1024 CB TYR A 67 -3.097 -8.209 7.671 1.00 0.00 C ATOM 1025 CG TYR A 67 -1.717 -8.572 8.190 1.00 0.00 C ATOM 1026 CD1 TYR A 67 -0.836 -7.569 8.639 1.00 0.00 C ATOM 1027 CD2 TYR A 67 -1.352 -9.928 8.308 1.00 0.00 C ATOM 1028 CE1 TYR A 67 0.411 -7.916 9.192 1.00 0.00 C ATOM 1029 CE2 TYR A 67 -0.108 -10.282 8.861 1.00 0.00 C ATOM 1030 CZ TYR A 67 0.782 -9.276 9.298 1.00 0.00 C ATOM 1031 OH TYR A 67 1.988 -9.620 9.832 1.00 0.00 O ATOM 0 H TYR A 67 -3.452 -6.108 9.710 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.111 -8.130 8.424 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.488 -9.049 7.096 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.003 -7.369 6.983 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.118 -6.530 8.559 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.030 -10.699 7.972 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.084 -7.144 9.535 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.167 -11.323 8.951 1.00 0.00 H new ATOM 0 HH TYR A 67 2.080 -10.596 9.830 1.00 0.00 H new ATOM 1041 N ASP A 68 -4.497 -9.784 10.201 1.00 0.00 N ATOM 1042 CA ASP A 68 -4.356 -10.724 11.315 1.00 0.00 C ATOM 1043 C ASP A 68 -4.455 -12.171 10.796 1.00 0.00 C ATOM 1044 O ASP A 68 -4.558 -12.398 9.587 1.00 0.00 O ATOM 1045 CB ASP A 68 -5.418 -10.420 12.393 1.00 0.00 C ATOM 1046 CG ASP A 68 -4.863 -10.625 13.811 1.00 0.00 C ATOM 1047 OD1 ASP A 68 -4.587 -11.793 14.177 1.00 0.00 O ATOM 1048 OD2 ASP A 68 -4.703 -9.626 14.551 1.00 0.00 O ATOM 0 H ASP A 68 -5.161 -10.111 9.499 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.375 -10.608 11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.765 -9.392 12.283 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.283 -11.066 12.244 1.00 0.00 H new ATOM 1053 N SER A 69 -4.435 -13.162 11.689 1.00 0.00 N ATOM 1054 CA SER A 69 -4.585 -14.575 11.325 1.00 0.00 C ATOM 1055 C SER A 69 -5.898 -14.805 10.555 1.00 0.00 C ATOM 1056 O SER A 69 -6.999 -14.629 11.081 1.00 0.00 O ATOM 1057 CB SER A 69 -4.548 -15.479 12.560 1.00 0.00 C ATOM 1058 OG SER A 69 -3.359 -15.285 13.320 1.00 0.00 O ATOM 0 H SER A 69 -4.314 -13.008 12.690 1.00 0.00 H new ATOM 0 HA SER A 69 -3.743 -14.834 10.682 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.417 -15.276 13.186 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.615 -16.522 12.250 1.00 0.00 H new ATOM 0 HG SER A 69 -3.370 -15.877 14.101 1.00 0.00 H new ATOM 1064 N ASN A 70 -5.755 -15.148 9.273 1.00 0.00 N ATOM 1065 CA ASN A 70 -6.809 -15.295 8.260 1.00 0.00 C ATOM 1066 C ASN A 70 -7.824 -14.124 8.138 1.00 0.00 C ATOM 1067 O ASN A 70 -8.944 -14.339 7.662 1.00 0.00 O ATOM 1068 CB ASN A 70 -7.453 -16.697 8.343 1.00 0.00 C ATOM 1069 CG ASN A 70 -8.279 -16.960 9.601 1.00 0.00 C ATOM 1070 OD1 ASN A 70 -7.877 -17.709 10.486 1.00 0.00 O ATOM 1071 ND2 ASN A 70 -9.464 -16.385 9.707 1.00 0.00 N ATOM 0 H ASN A 70 -4.833 -15.345 8.885 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.300 -15.217 7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.093 -16.838 7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.663 -17.446 8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.046 -16.563 10.525 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.797 -15.763 8.970 1.00 0.00 H new ATOM 1078 N LEU A 71 -7.471 -12.896 8.553 1.00 0.00 N ATOM 1079 CA LEU A 71 -8.367 -11.734 8.639 1.00 0.00 C ATOM 1080 C LEU A 71 -7.728 -10.492 8.000 1.00 0.00 C ATOM 1081 O LEU A 71 -6.605 -10.126 8.340 1.00 0.00 O ATOM 1082 CB LEU A 71 -8.678 -11.506 10.137 1.00 0.00 C ATOM 1083 CG LEU A 71 -9.924 -10.676 10.511 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -9.742 -9.166 10.307 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -11.169 -11.181 9.774 1.00 0.00 C ATOM 0 H LEU A 71 -6.519 -12.679 8.848 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.289 -11.919 8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.777 -12.484 10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.810 -11.023 10.586 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.066 -10.822 11.582 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.658 -8.648 10.590 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.918 -8.812 10.927 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.520 -8.965 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.030 -10.576 10.058 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.011 -11.104 8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.352 -12.222 10.041 1.00 0.00 H new ATOM 1097 N PHE A 72 -8.460 -9.824 7.108 1.00 0.00 N ATOM 1098 CA PHE A 72 -8.095 -8.552 6.482 1.00 0.00 C ATOM 1099 C PHE A 72 -9.197 -7.507 6.732 1.00 0.00 C ATOM 1100 O PHE A 72 -10.380 -7.823 6.668 1.00 0.00 O ATOM 1101 CB PHE A 72 -7.870 -8.788 4.979 1.00 0.00 C ATOM 1102 CG PHE A 72 -7.696 -7.499 4.207 1.00 0.00 C ATOM 1103 CD1 PHE A 72 -6.575 -6.685 4.453 1.00 0.00 C ATOM 1104 CD2 PHE A 72 -8.706 -7.056 3.330 1.00 0.00 C ATOM 1105 CE1 PHE A 72 -6.489 -5.410 3.870 1.00 0.00 C ATOM 1106 CE2 PHE A 72 -8.603 -5.793 2.725 1.00 0.00 C ATOM 1107 CZ PHE A 72 -7.508 -4.961 3.011 1.00 0.00 C ATOM 0 H PHE A 72 -9.364 -10.170 6.787 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.174 -8.166 6.918 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.987 -9.412 4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.717 -9.340 4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.780 -7.041 5.091 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.558 -7.687 3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.641 -4.775 4.081 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.367 -5.461 2.038 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.449 -3.976 2.571 1.00 0.00 H new ATOM 1117 N SER A 73 -8.836 -6.259 7.026 1.00 0.00 N ATOM 1118 CA SER A 73 -9.779 -5.184 7.359 1.00 0.00 C ATOM 1119 C SER A 73 -9.244 -3.778 7.032 1.00 0.00 C ATOM 1120 O SER A 73 -8.030 -3.546 7.001 1.00 0.00 O ATOM 1121 CB SER A 73 -10.137 -5.289 8.845 1.00 0.00 C ATOM 1122 OG SER A 73 -11.190 -4.401 9.167 1.00 0.00 O ATOM 0 H SER A 73 -7.862 -5.957 7.041 1.00 0.00 H new ATOM 0 HA SER A 73 -10.665 -5.316 6.737 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.431 -6.311 9.083 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.262 -5.059 9.453 1.00 0.00 H new ATOM 0 HG SER A 73 -11.807 -4.336 8.408 1.00 0.00 H new ATOM 1128 N PHE A 74 -10.157 -2.822 6.820 1.00 0.00 N ATOM 1129 CA PHE A 74 -9.852 -1.427 6.494 1.00 0.00 C ATOM 1130 C PHE A 74 -10.918 -0.447 7.026 1.00 0.00 C ATOM 1131 O PHE A 74 -12.102 -0.775 7.130 1.00 0.00 O ATOM 1132 CB PHE A 74 -9.613 -1.291 4.977 1.00 0.00 C ATOM 1133 CG PHE A 74 -10.767 -1.701 4.071 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -11.780 -0.776 3.759 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -10.812 -2.994 3.504 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -12.825 -1.140 2.894 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -11.851 -3.353 2.619 1.00 0.00 C ATOM 1138 CZ PHE A 74 -12.861 -2.422 2.320 1.00 0.00 C ATOM 0 H PHE A 74 -11.159 -3.006 6.873 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.933 -1.144 7.008 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.362 -0.252 4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.742 -1.890 4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.754 0.216 4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.045 -3.714 3.750 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.606 -0.429 2.668 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.870 -4.337 2.174 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.664 -2.692 1.650 1.00 0.00 H new ATOM 1148 N GLU A 75 -10.469 0.764 7.375 1.00 0.00 N ATOM 1149 CA GLU A 75 -11.279 1.897 7.854 1.00 0.00 C ATOM 1150 C GLU A 75 -11.463 2.891 6.689 1.00 0.00 C ATOM 1151 O GLU A 75 -10.576 3.041 5.844 1.00 0.00 O ATOM 1152 CB GLU A 75 -10.534 2.550 9.040 1.00 0.00 C ATOM 1153 CG GLU A 75 -11.311 3.286 10.147 1.00 0.00 C ATOM 1154 CD GLU A 75 -12.372 4.284 9.673 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -13.475 3.837 9.291 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -12.109 5.508 9.715 1.00 0.00 O ATOM 0 H GLU A 75 -9.477 0.996 7.329 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.264 1.576 8.192 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.952 1.766 9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.823 3.261 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.797 2.542 10.778 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.595 3.818 10.774 1.00 0.00 H new ATOM 1163 N SER A 76 -12.591 3.594 6.620 1.00 0.00 N ATOM 1164 CA SER A 76 -12.929 4.528 5.535 1.00 0.00 C ATOM 1165 C SER A 76 -13.925 5.606 5.988 1.00 0.00 C ATOM 1166 O SER A 76 -14.928 5.321 6.650 1.00 0.00 O ATOM 1167 CB SER A 76 -13.490 3.768 4.322 1.00 0.00 C ATOM 1168 OG SER A 76 -12.452 3.092 3.630 1.00 0.00 O ATOM 0 H SER A 76 -13.318 3.532 7.333 1.00 0.00 H new ATOM 0 HA SER A 76 -12.006 5.032 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.241 3.050 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.989 4.465 3.649 1.00 0.00 H new ATOM 0 HG SER A 76 -11.638 3.096 4.176 1.00 0.00 H new ATOM 1174 N GLY A 77 -13.645 6.863 5.615 1.00 0.00 N ATOM 1175 CA GLY A 77 -14.438 8.036 6.003 1.00 0.00 C ATOM 1176 C GLY A 77 -15.757 8.163 5.240 1.00 0.00 C ATOM 1177 O GLY A 77 -16.000 7.475 4.244 1.00 0.00 O ATOM 0 H GLY A 77 -12.847 7.096 5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.649 7.984 7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.845 8.936 5.839 1.00 0.00 H new ATOM 1181 N ARG A 78 -16.607 9.096 5.690 1.00 0.00 N ATOM 1182 CA ARG A 78 -17.967 9.314 5.159 1.00 0.00 C ATOM 1183 C ARG A 78 -18.054 9.673 3.656 1.00 0.00 C ATOM 1184 O ARG A 78 -19.141 9.627 3.079 1.00 0.00 O ATOM 1185 CB ARG A 78 -18.744 10.338 6.019 1.00 0.00 C ATOM 1186 CG ARG A 78 -18.317 11.818 5.936 1.00 0.00 C ATOM 1187 CD ARG A 78 -17.039 12.154 6.719 1.00 0.00 C ATOM 1188 NE ARG A 78 -16.882 13.611 6.875 1.00 0.00 N ATOM 1189 CZ ARG A 78 -16.133 14.234 7.779 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -15.357 13.583 8.621 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -16.160 15.548 7.854 1.00 0.00 N ATOM 0 H ARG A 78 -16.367 9.735 6.448 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.442 8.336 5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.797 10.277 5.743 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.669 10.026 7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -18.167 12.082 4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -19.131 12.440 6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.075 11.682 7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -16.172 11.745 6.200 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.400 14.201 6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.316 12.564 8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.797 14.098 9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.754 16.083 7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.587 16.031 8.546 1.00 0.00 H new ATOM 1205 N ARG A 79 -16.924 10.017 3.024 1.00 0.00 N ATOM 1206 CA ARG A 79 -16.826 10.488 1.633 1.00 0.00 C ATOM 1207 C ARG A 79 -16.930 9.398 0.544 1.00 0.00 C ATOM 1208 O ARG A 79 -17.132 9.728 -0.626 1.00 0.00 O ATOM 1209 CB ARG A 79 -15.535 11.306 1.475 1.00 0.00 C ATOM 1210 CG ARG A 79 -14.246 10.468 1.559 1.00 0.00 C ATOM 1211 CD ARG A 79 -12.978 11.327 1.468 1.00 0.00 C ATOM 1212 NE ARG A 79 -12.909 12.069 0.195 1.00 0.00 N ATOM 1213 CZ ARG A 79 -12.215 13.179 -0.024 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -11.307 13.623 0.814 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -12.444 13.886 -1.107 1.00 0.00 N ATOM 0 H ARG A 79 -16.015 9.974 3.485 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.708 11.105 1.462 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.559 11.821 0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.507 12.074 2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.238 9.913 2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.241 9.733 0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.955 12.030 2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.099 10.689 1.565 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.444 11.695 -0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.112 13.110 1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.797 14.481 0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.152 13.581 -1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.914 14.740 -1.280 1.00 0.00 H new ATOM 1229 N CYS A 80 -16.762 8.121 0.901 1.00 0.00 N ATOM 1230 CA CYS A 80 -16.709 6.992 -0.051 1.00 0.00 C ATOM 1231 C CYS A 80 -18.102 6.415 -0.416 1.00 0.00 C ATOM 1232 O CYS A 80 -19.124 6.845 0.122 1.00 0.00 O ATOM 1233 CB CYS A 80 -15.722 5.941 0.496 1.00 0.00 C ATOM 1234 SG CYS A 80 -16.405 5.092 1.948 1.00 0.00 S ATOM 0 H CYS A 80 -16.657 7.831 1.873 1.00 0.00 H new ATOM 0 HA CYS A 80 -16.340 7.356 -1.010 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -15.495 5.212 -0.282 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -14.782 6.425 0.763 1.00 0.00 H new ATOM 0 HG CYS A 80 -16.316 5.869 2.987 1.00 0.00 H new ATOM 1240 N GLN A 81 -18.137 5.432 -1.328 1.00 0.00 N ATOM 1241 CA GLN A 81 -19.360 4.796 -1.862 1.00 0.00 C ATOM 1242 C GLN A 81 -20.274 4.209 -0.771 1.00 0.00 C ATOM 1243 O GLN A 81 -21.499 4.327 -0.855 1.00 0.00 O ATOM 1244 CB GLN A 81 -18.932 3.691 -2.856 1.00 0.00 C ATOM 1245 CG GLN A 81 -20.099 2.824 -3.380 1.00 0.00 C ATOM 1246 CD GLN A 81 -19.688 1.786 -4.432 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -18.551 1.714 -4.883 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -20.591 0.920 -4.848 1.00 0.00 N ATOM 0 H GLN A 81 -17.286 5.041 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.951 5.567 -2.357 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -18.430 4.156 -3.705 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.203 3.043 -2.370 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.560 2.308 -2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.859 3.478 -3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.543 0.962 -4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.337 0.208 -5.533 1.00 0.00 H new ATOM 1257 N THR A 82 -19.674 3.567 0.236 1.00 0.00 N ATOM 1258 CA THR A 82 -20.365 2.821 1.308 1.00 0.00 C ATOM 1259 C THR A 82 -20.670 3.656 2.544 1.00 0.00 C ATOM 1260 O THR A 82 -21.508 3.268 3.363 1.00 0.00 O ATOM 1261 CB THR A 82 -19.535 1.609 1.730 1.00 0.00 C ATOM 1262 OG1 THR A 82 -18.206 1.985 2.017 1.00 0.00 O ATOM 1263 CG2 THR A 82 -19.493 0.582 0.611 1.00 0.00 C ATOM 0 H THR A 82 -18.659 3.548 0.336 1.00 0.00 H new ATOM 0 HA THR A 82 -21.320 2.514 0.881 1.00 0.00 H new ATOM 0 HB THR A 82 -20.004 1.187 2.619 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.909 1.537 2.836 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.898 -0.275 0.926 1.00 0.00 H new ATOM 0 HG22 THR A 82 -20.507 0.255 0.379 1.00 0.00 H new ATOM 0 HG23 THR A 82 -19.044 1.029 -0.276 1.00 0.00 H new ATOM 1271 N GLY A 83 -19.997 4.798 2.657 1.00 0.00 N ATOM 1272 CA GLY A 83 -20.059 5.723 3.784 1.00 0.00 C ATOM 1273 C GLY A 83 -19.081 5.342 4.897 1.00 0.00 C ATOM 1274 O GLY A 83 -18.209 4.487 4.735 1.00 0.00 O ATOM 0 H GLY A 83 -19.361 5.119 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.837 6.732 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -21.073 5.739 4.183 1.00 0.00 H new ATOM 1278 N GLN A 84 -19.222 6.008 6.038 1.00 0.00 N ATOM 1279 CA GLN A 84 -18.345 5.830 7.193 1.00 0.00 C ATOM 1280 C GLN A 84 -18.530 4.432 7.809 1.00 0.00 C ATOM 1281 O GLN A 84 -19.654 4.042 8.143 1.00 0.00 O ATOM 1282 CB GLN A 84 -18.657 6.936 8.212 1.00 0.00 C ATOM 1283 CG GLN A 84 -17.532 7.113 9.240 1.00 0.00 C ATOM 1284 CD GLN A 84 -17.872 8.109 10.357 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -19.021 8.424 10.645 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -16.882 8.658 11.033 1.00 0.00 N ATOM 0 H GLN A 84 -19.959 6.697 6.190 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.302 5.905 6.884 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -18.817 7.877 7.686 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -19.586 6.698 8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -17.302 6.145 9.685 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -16.631 7.449 8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.917 8.413 10.813 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -17.082 9.328 11.776 1.00 0.00 H new ATOM 1295 N GLY A 85 -17.436 3.679 7.979 1.00 0.00 N ATOM 1296 CA GLY A 85 -17.470 2.340 8.572 1.00 0.00 C ATOM 1297 C GLY A 85 -16.199 1.522 8.353 1.00 0.00 C ATOM 1298 O GLY A 85 -15.392 1.798 7.464 1.00 0.00 O ATOM 0 H GLY A 85 -16.501 3.984 7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.647 2.434 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.316 1.793 8.156 1.00 0.00 H new ATOM 1302 N ILE A 86 -16.059 0.474 9.166 1.00 0.00 N ATOM 1303 CA ILE A 86 -14.979 -0.521 9.085 1.00 0.00 C ATOM 1304 C ILE A 86 -15.545 -1.815 8.500 1.00 0.00 C ATOM 1305 O ILE A 86 -16.591 -2.286 8.956 1.00 0.00 O ATOM 1306 CB ILE A 86 -14.365 -0.764 10.484 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -13.679 0.524 10.981 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -13.352 -1.927 10.473 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -13.349 0.509 12.475 1.00 0.00 C ATOM 0 H ILE A 86 -16.714 0.285 9.925 1.00 0.00 H new ATOM 0 HA ILE A 86 -14.184 -0.153 8.437 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.175 -1.038 11.161 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.759 0.676 10.416 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.327 1.375 10.770 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.945 -2.064 11.475 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.852 -2.842 10.156 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.542 -1.698 9.780 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.868 1.448 12.751 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.268 0.389 13.049 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.675 -0.320 12.691 1.00 0.00 H new ATOM 1321 N PHE A 87 -14.834 -2.397 7.534 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.254 -3.587 6.795 1.00 0.00 C ATOM 1323 C PHE A 87 -14.163 -4.664 6.882 1.00 0.00 C ATOM 1324 O PHE A 87 -13.011 -4.408 6.524 1.00 0.00 O ATOM 1325 CB PHE A 87 -15.550 -3.188 5.339 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.520 -2.029 5.184 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -17.907 -2.246 5.295 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.038 -0.727 4.940 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.804 -1.174 5.146 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -16.936 0.346 4.806 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.319 0.124 4.910 1.00 0.00 C ATOM 0 H PHE A 87 -13.925 -2.044 7.236 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.162 -4.006 7.228 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.612 -2.927 4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -15.953 -4.054 4.814 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.283 -3.239 5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.975 -0.553 4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -19.868 -1.348 5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.562 1.343 4.623 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.008 0.949 4.809 1.00 0.00 H new ATOM 1341 N ALA A 88 -14.527 -5.862 7.355 1.00 0.00 N ATOM 1342 CA ALA A 88 -13.599 -6.964 7.626 1.00 0.00 C ATOM 1343 C ALA A 88 -13.966 -8.245 6.865 1.00 0.00 C ATOM 1344 O ALA A 88 -15.143 -8.584 6.681 1.00 0.00 O ATOM 1345 CB ALA A 88 -13.543 -7.211 9.135 1.00 0.00 C ATOM 0 H ALA A 88 -15.497 -6.096 7.564 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.612 -6.675 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.854 -8.030 9.344 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.197 -6.308 9.639 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.537 -7.471 9.498 1.00 0.00 H new ATOM 1351 N PHE A 89 -12.927 -8.963 6.436 1.00 0.00 N ATOM 1352 CA PHE A 89 -13.036 -10.082 5.509 1.00 0.00 C ATOM 1353 C PHE A 89 -12.095 -11.224 5.896 1.00 0.00 C ATOM 1354 O PHE A 89 -10.888 -11.035 6.053 1.00 0.00 O ATOM 1355 CB PHE A 89 -12.735 -9.603 4.076 1.00 0.00 C ATOM 1356 CG PHE A 89 -13.537 -8.404 3.606 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -13.123 -7.102 3.951 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -14.706 -8.582 2.842 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -13.901 -5.993 3.584 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -15.473 -7.468 2.460 1.00 0.00 C ATOM 1361 CZ PHE A 89 -15.077 -6.175 2.842 1.00 0.00 C ATOM 0 H PHE A 89 -11.969 -8.776 6.731 1.00 0.00 H new ATOM 0 HA PHE A 89 -14.056 -10.465 5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.675 -9.358 4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.915 -10.430 3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.204 -6.957 4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -15.014 -9.575 2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.594 -4.999 3.873 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -16.368 -7.606 1.872 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.678 -5.322 2.564 1.00 0.00 H new ATOM 1371 N LYS A 90 -12.645 -12.431 6.008 1.00 0.00 N ATOM 1372 CA LYS A 90 -11.860 -13.656 6.139 1.00 0.00 C ATOM 1373 C LYS A 90 -11.188 -14.007 4.799 1.00 0.00 C ATOM 1374 O LYS A 90 -11.810 -13.908 3.737 1.00 0.00 O ATOM 1375 CB LYS A 90 -12.758 -14.788 6.669 1.00 0.00 C ATOM 1376 CG LYS A 90 -12.790 -14.774 8.202 1.00 0.00 C ATOM 1377 CD LYS A 90 -13.572 -15.975 8.755 1.00 0.00 C ATOM 1378 CE LYS A 90 -13.569 -15.920 10.289 1.00 0.00 C ATOM 1379 NZ LYS A 90 -14.377 -17.014 10.886 1.00 0.00 N ATOM 0 H LYS A 90 -13.653 -12.587 6.010 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.057 -13.509 6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.769 -14.672 6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.387 -15.750 6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.771 -14.791 8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.248 -13.848 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.596 -15.960 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.121 -16.906 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.543 -15.987 10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.962 -14.958 10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.898 -17.376 11.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.316 -16.650 11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.484 -17.783 10.195 1.00 0.00 H new ATOM 1393 N CYS A 91 -9.911 -14.395 4.858 1.00 0.00 N ATOM 1394 CA CYS A 91 -9.036 -14.631 3.704 1.00 0.00 C ATOM 1395 C CYS A 91 -7.797 -15.435 4.120 1.00 0.00 C ATOM 1396 O CYS A 91 -7.115 -15.069 5.073 1.00 0.00 O ATOM 1397 CB CYS A 91 -8.632 -13.265 3.127 1.00 0.00 C ATOM 1398 SG CYS A 91 -7.605 -13.509 1.649 1.00 0.00 S ATOM 0 H CYS A 91 -9.438 -14.560 5.747 1.00 0.00 H new ATOM 0 HA CYS A 91 -9.562 -15.214 2.948 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -9.522 -12.688 2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.083 -12.691 3.874 1.00 0.00 H new ATOM 0 HG CYS A 91 -6.528 -12.787 1.745 1.00 0.00 H new ATOM 1404 N SER A 92 -7.455 -16.494 3.385 1.00 0.00 N ATOM 1405 CA SER A 92 -6.274 -17.331 3.674 1.00 0.00 C ATOM 1406 C SER A 92 -4.928 -16.633 3.367 1.00 0.00 C ATOM 1407 O SER A 92 -3.865 -17.156 3.710 1.00 0.00 O ATOM 1408 CB SER A 92 -6.395 -18.656 2.902 1.00 0.00 C ATOM 1409 OG SER A 92 -5.528 -19.660 3.416 1.00 0.00 O ATOM 0 H SER A 92 -7.985 -16.802 2.570 1.00 0.00 H new ATOM 0 HA SER A 92 -6.264 -17.519 4.748 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.425 -19.009 2.950 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.165 -18.484 1.850 1.00 0.00 H new ATOM 0 HG SER A 92 -4.672 -19.255 3.669 1.00 0.00 H new ATOM 1415 N ARG A 93 -4.965 -15.450 2.728 1.00 0.00 N ATOM 1416 CA ARG A 93 -3.805 -14.698 2.219 1.00 0.00 C ATOM 1417 C ARG A 93 -3.803 -13.224 2.670 1.00 0.00 C ATOM 1418 O ARG A 93 -3.218 -12.366 2.007 1.00 0.00 O ATOM 1419 CB ARG A 93 -3.758 -14.840 0.686 1.00 0.00 C ATOM 1420 CG ARG A 93 -3.576 -16.299 0.237 1.00 0.00 C ATOM 1421 CD ARG A 93 -3.582 -16.425 -1.288 1.00 0.00 C ATOM 1422 NE ARG A 93 -2.368 -15.867 -1.919 1.00 0.00 N ATOM 1423 CZ ARG A 93 -1.186 -16.464 -2.037 1.00 0.00 C ATOM 1424 NH1 ARG A 93 -0.948 -17.657 -1.530 1.00 0.00 N ATOM 1425 NH2 ARG A 93 -0.211 -15.859 -2.677 1.00 0.00 N ATOM 0 H ARG A 93 -5.846 -14.970 2.544 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.897 -15.123 2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.679 -14.444 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.939 -14.237 0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.637 -16.687 0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.374 -16.911 0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.675 -17.476 -1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.459 -15.914 -1.686 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.445 -14.926 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.684 -18.153 -1.027 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.028 -18.084 -1.640 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.362 -14.935 -3.081 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.697 -16.314 -2.770 1.00 0.00 H new ATOM 1439 N ALA A 94 -4.438 -12.910 3.805 1.00 0.00 N ATOM 1440 CA ALA A 94 -4.540 -11.556 4.366 1.00 0.00 C ATOM 1441 C ALA A 94 -3.195 -10.810 4.498 1.00 0.00 C ATOM 1442 O ALA A 94 -3.138 -9.609 4.242 1.00 0.00 O ATOM 1443 CB ALA A 94 -5.243 -11.664 5.724 1.00 0.00 C ATOM 0 H ALA A 94 -4.909 -13.611 4.376 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.114 -10.950 3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.334 -10.672 6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.236 -12.092 5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.660 -12.305 6.386 1.00 0.00 H new ATOM 1449 N GLU A 95 -2.104 -11.513 4.827 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.757 -10.935 4.884 1.00 0.00 C ATOM 1451 C GLU A 95 -0.201 -10.584 3.494 1.00 0.00 C ATOM 1452 O GLU A 95 0.428 -9.543 3.332 1.00 0.00 O ATOM 1453 CB GLU A 95 0.173 -11.910 5.616 1.00 0.00 C ATOM 1454 CG GLU A 95 1.564 -11.305 5.840 1.00 0.00 C ATOM 1455 CD GLU A 95 2.495 -12.172 6.710 1.00 0.00 C ATOM 1456 OE1 GLU A 95 2.033 -13.117 7.395 1.00 0.00 O ATOM 1457 OE2 GLU A 95 3.724 -11.919 6.698 1.00 0.00 O ATOM 0 H GLU A 95 -2.132 -12.505 5.062 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.815 -9.994 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.266 -12.180 6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.265 -12.829 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.037 -11.141 4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.452 -10.328 6.309 1.00 0.00 H new ATOM 1464 N GLU A 96 -0.464 -11.405 2.476 1.00 0.00 N ATOM 1465 CA GLU A 96 -0.079 -11.116 1.087 1.00 0.00 C ATOM 1466 C GLU A 96 -0.861 -9.922 0.520 1.00 0.00 C ATOM 1467 O GLU A 96 -0.301 -9.131 -0.240 1.00 0.00 O ATOM 1468 CB GLU A 96 -0.268 -12.351 0.189 1.00 0.00 C ATOM 1469 CG GLU A 96 0.644 -13.530 0.557 1.00 0.00 C ATOM 1470 CD GLU A 96 2.123 -13.220 0.273 1.00 0.00 C ATOM 1471 OE1 GLU A 96 2.591 -13.491 -0.858 1.00 0.00 O ATOM 1472 OE2 GLU A 96 2.826 -12.712 1.178 1.00 0.00 O ATOM 0 H GLU A 96 -0.952 -12.294 2.589 1.00 0.00 H new ATOM 0 HA GLU A 96 0.979 -10.854 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.307 -12.675 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.080 -12.068 -0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.519 -13.770 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.343 -14.412 -0.008 1.00 0.00 H new ATOM 1479 N ILE A 97 -2.122 -9.737 0.936 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.887 -8.510 0.647 1.00 0.00 C ATOM 1481 C ILE A 97 -2.197 -7.309 1.301 1.00 0.00 C ATOM 1482 O ILE A 97 -1.908 -6.328 0.619 1.00 0.00 O ATOM 1483 CB ILE A 97 -4.368 -8.627 1.094 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -5.089 -9.746 0.312 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -5.093 -7.282 0.888 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -6.484 -10.089 0.846 1.00 0.00 C ATOM 0 H ILE A 97 -2.640 -10.428 1.479 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.904 -8.364 -0.433 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.388 -8.882 2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.176 -9.446 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.473 -10.645 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.132 -7.376 1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.602 -6.509 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.059 -7.008 -0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.920 -10.884 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.406 -10.423 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.120 -9.205 0.797 1.00 0.00 H new ATOM 1498 N PHE A 98 -1.882 -7.391 2.597 1.00 0.00 N ATOM 1499 CA PHE A 98 -1.222 -6.318 3.346 1.00 0.00 C ATOM 1500 C PHE A 98 0.170 -5.964 2.777 1.00 0.00 C ATOM 1501 O PHE A 98 0.526 -4.785 2.703 1.00 0.00 O ATOM 1502 CB PHE A 98 -1.196 -6.721 4.826 1.00 0.00 C ATOM 1503 CG PHE A 98 0.010 -6.270 5.619 1.00 0.00 C ATOM 1504 CD1 PHE A 98 0.047 -4.989 6.197 1.00 0.00 C ATOM 1505 CD2 PHE A 98 1.089 -7.155 5.796 1.00 0.00 C ATOM 1506 CE1 PHE A 98 1.158 -4.605 6.966 1.00 0.00 C ATOM 1507 CE2 PHE A 98 2.199 -6.769 6.561 1.00 0.00 C ATOM 1508 CZ PHE A 98 2.230 -5.497 7.153 1.00 0.00 C ATOM 0 H PHE A 98 -2.081 -8.216 3.163 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.788 -5.392 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.090 -6.322 5.305 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.259 -7.807 4.887 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.775 -4.304 6.051 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.062 -8.134 5.341 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.189 -3.623 7.415 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.028 -7.449 6.694 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.078 -5.202 7.753 1.00 0.00 H new ATOM 1518 N ASN A 99 0.932 -6.963 2.319 1.00 0.00 N ATOM 1519 CA ASN A 99 2.231 -6.786 1.665 1.00 0.00 C ATOM 1520 C ASN A 99 2.114 -6.148 0.270 1.00 0.00 C ATOM 1521 O ASN A 99 3.019 -5.415 -0.131 1.00 0.00 O ATOM 1522 CB ASN A 99 2.960 -8.140 1.566 1.00 0.00 C ATOM 1523 CG ASN A 99 3.527 -8.647 2.892 1.00 0.00 C ATOM 1524 OD1 ASN A 99 3.877 -7.886 3.788 1.00 0.00 O ATOM 1525 ND2 ASN A 99 3.686 -9.952 3.039 1.00 0.00 N ATOM 0 H ASN A 99 0.654 -7.942 2.395 1.00 0.00 H new ATOM 0 HA ASN A 99 2.808 -6.097 2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.268 -8.884 1.172 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.774 -8.049 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.098 -10.322 3.895 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.396 -10.588 2.296 1.00 0.00 H new ATOM 1532 N LEU A 100 1.009 -6.373 -0.458 1.00 0.00 N ATOM 1533 CA LEU A 100 0.777 -5.757 -1.768 1.00 0.00 C ATOM 1534 C LEU A 100 0.170 -4.354 -1.655 1.00 0.00 C ATOM 1535 O LEU A 100 0.567 -3.478 -2.417 1.00 0.00 O ATOM 1536 CB LEU A 100 -0.077 -6.694 -2.643 1.00 0.00 C ATOM 1537 CG LEU A 100 -0.270 -6.184 -4.090 1.00 0.00 C ATOM 1538 CD1 LEU A 100 1.055 -5.935 -4.832 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -1.093 -7.203 -4.890 1.00 0.00 C ATOM 0 H LEU A 100 0.254 -6.987 -0.153 1.00 0.00 H new ATOM 0 HA LEU A 100 1.743 -5.619 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.392 -7.677 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.055 -6.821 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.787 -5.228 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.846 -5.579 -5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.637 -5.185 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.622 -6.864 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.228 -6.842 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.569 -8.159 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.067 -7.333 -4.419 1.00 0.00 H new ATOM 1551 N LEU A 101 -0.729 -4.104 -0.695 1.00 0.00 N ATOM 1552 CA LEU A 101 -1.354 -2.789 -0.495 1.00 0.00 C ATOM 1553 C LEU A 101 -0.317 -1.685 -0.357 1.00 0.00 C ATOM 1554 O LEU A 101 -0.335 -0.725 -1.120 1.00 0.00 O ATOM 1555 CB LEU A 101 -2.250 -2.804 0.757 1.00 0.00 C ATOM 1556 CG LEU A 101 -3.637 -3.409 0.527 1.00 0.00 C ATOM 1557 CD1 LEU A 101 -4.409 -3.433 1.844 1.00 0.00 C ATOM 1558 CD2 LEU A 101 -4.437 -2.614 -0.512 1.00 0.00 C ATOM 0 H LEU A 101 -1.045 -4.811 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.958 -2.583 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.747 -3.366 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.367 -1.783 1.119 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.500 -4.422 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.397 -3.864 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.867 -4.036 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.515 -2.416 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.416 -3.074 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.563 -1.588 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.901 -2.614 -1.461 1.00 0.00 H new ATOM 1570 N GLN A 102 0.615 -1.860 0.575 1.00 0.00 N ATOM 1571 CA GLN A 102 1.699 -0.907 0.819 1.00 0.00 C ATOM 1572 C GLN A 102 2.592 -0.664 -0.414 1.00 0.00 C ATOM 1573 O GLN A 102 3.116 0.436 -0.557 1.00 0.00 O ATOM 1574 CB GLN A 102 2.503 -1.328 2.063 1.00 0.00 C ATOM 1575 CG GLN A 102 3.228 -2.677 1.942 1.00 0.00 C ATOM 1576 CD GLN A 102 3.751 -3.148 3.299 1.00 0.00 C ATOM 1577 OE1 GLN A 102 4.847 -2.813 3.731 1.00 0.00 O ATOM 1578 NE2 GLN A 102 2.977 -3.925 4.031 1.00 0.00 N ATOM 0 H GLN A 102 0.642 -2.674 1.189 1.00 0.00 H new ATOM 0 HA GLN A 102 1.243 0.062 1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.240 -0.555 2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.827 -1.371 2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.547 -3.423 1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.058 -2.585 1.242 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.062 -4.210 3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.293 -4.241 4.948 1.00 0.00 H new ATOM 1587 N ASP A 103 2.707 -1.623 -1.345 1.00 0.00 N ATOM 1588 CA ASP A 103 3.473 -1.490 -2.597 1.00 0.00 C ATOM 1589 C ASP A 103 2.809 -0.531 -3.603 1.00 0.00 C ATOM 1590 O ASP A 103 3.498 0.138 -4.378 1.00 0.00 O ATOM 1591 CB ASP A 103 3.619 -2.874 -3.262 1.00 0.00 C ATOM 1592 CG ASP A 103 4.899 -2.998 -4.103 1.00 0.00 C ATOM 1593 OD1 ASP A 103 6.012 -2.911 -3.534 1.00 0.00 O ATOM 1594 OD2 ASP A 103 4.804 -3.249 -5.327 1.00 0.00 O ATOM 0 H ASP A 103 2.260 -2.535 -1.248 1.00 0.00 H new ATOM 0 HA ASP A 103 4.445 -1.076 -2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.620 -3.644 -2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.753 -3.060 -3.897 1.00 0.00 H new ATOM 1599 N LEU A 104 1.473 -0.459 -3.567 1.00 0.00 N ATOM 1600 CA LEU A 104 0.641 0.408 -4.410 1.00 0.00 C ATOM 1601 C LEU A 104 0.377 1.757 -3.726 1.00 0.00 C ATOM 1602 O LEU A 104 0.428 2.806 -4.366 1.00 0.00 O ATOM 1603 CB LEU A 104 -0.680 -0.322 -4.740 1.00 0.00 C ATOM 1604 CG LEU A 104 -0.532 -1.748 -5.318 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -1.913 -2.315 -5.667 1.00 0.00 C ATOM 1606 CD2 LEU A 104 0.385 -1.802 -6.547 1.00 0.00 C ATOM 0 H LEU A 104 0.920 -1.026 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 104 1.171 0.621 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.279 -0.379 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.240 0.283 -5.453 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.062 -2.358 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.801 -3.320 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.528 -2.354 -4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.393 -1.675 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.450 -2.829 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.022 -1.166 -7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.380 -1.450 -6.274 1.00 0.00 H new ATOM 1618 N MET A 105 0.170 1.744 -2.408 1.00 0.00 N ATOM 1619 CA MET A 105 -0.119 2.925 -1.585 1.00 0.00 C ATOM 1620 C MET A 105 1.100 3.839 -1.398 1.00 0.00 C ATOM 1621 O MET A 105 0.941 5.054 -1.279 1.00 0.00 O ATOM 1622 CB MET A 105 -0.713 2.459 -0.247 1.00 0.00 C ATOM 1623 CG MET A 105 -2.115 1.870 -0.478 1.00 0.00 C ATOM 1624 SD MET A 105 -2.967 1.222 0.979 1.00 0.00 S ATOM 1625 CE MET A 105 -3.401 2.781 1.784 1.00 0.00 C ATOM 0 H MET A 105 0.199 0.882 -1.863 1.00 0.00 H new ATOM 0 HA MET A 105 -0.849 3.544 -2.107 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.064 1.711 0.209 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.770 3.297 0.448 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.741 2.643 -0.924 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.031 1.067 -1.210 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.086 2.586 2.609 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.498 3.257 2.167 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.881 3.442 1.062 1.00 0.00 H new ATOM 2271 N PHE B 2 -20.788 -5.561 6.156 1.00 0.00 N ATOM 2272 CA PHE B 2 -21.029 -5.331 7.586 1.00 0.00 C ATOM 2273 C PHE B 2 -20.173 -4.171 8.112 1.00 0.00 C ATOM 2274 O PHE B 2 -18.960 -4.158 7.898 1.00 0.00 O ATOM 2275 CB PHE B 2 -20.731 -6.626 8.351 1.00 0.00 C ATOM 2276 CG PHE B 2 -21.252 -6.632 9.775 1.00 0.00 C ATOM 2277 CD1 PHE B 2 -20.485 -6.085 10.824 1.00 0.00 C ATOM 2278 CD2 PHE B 2 -22.518 -7.182 10.050 1.00 0.00 C ATOM 2279 CE1 PHE B 2 -20.994 -6.075 12.136 1.00 0.00 C ATOM 2280 CE2 PHE B 2 -23.020 -7.183 11.363 1.00 0.00 C ATOM 2281 CZ PHE B 2 -22.261 -6.623 12.406 1.00 0.00 C ATOM 0 HA PHE B 2 -22.072 -5.052 7.737 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -21.170 -7.465 7.811 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -19.653 -6.786 8.368 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -19.507 -5.674 10.621 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -23.106 -7.605 9.249 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -20.411 -5.646 12.937 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -23.988 -7.614 11.571 1.00 0.00 H new ATOM 0 HZ PHE B 2 -22.650 -6.614 13.413 1.00 0.00 H new ATOM 2291 N ARG B 3 -20.798 -3.223 8.823 1.00 0.00 N ATOM 2292 CA ARG B 3 -20.119 -2.095 9.474 1.00 0.00 C ATOM 2293 C ARG B 3 -19.736 -2.483 10.909 1.00 0.00 C ATOM 2294 O ARG B 3 -20.609 -2.623 11.771 1.00 0.00 O ATOM 2295 CB ARG B 3 -21.017 -0.841 9.480 1.00 0.00 C ATOM 2296 CG ARG B 3 -21.143 -0.107 8.134 1.00 0.00 C ATOM 2297 CD ARG B 3 -21.997 -0.828 7.082 1.00 0.00 C ATOM 2298 NE ARG B 3 -22.242 0.048 5.920 1.00 0.00 N ATOM 2299 CZ ARG B 3 -22.962 -0.247 4.845 1.00 0.00 C ATOM 2300 NH1 ARG B 3 -23.453 -1.452 4.639 1.00 0.00 N ATOM 2301 NH2 ARG B 3 -23.198 0.685 3.947 1.00 0.00 N ATOM 0 H ARG B 3 -21.808 -3.219 8.964 1.00 0.00 H new ATOM 0 HA ARG B 3 -19.216 -1.859 8.911 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -22.014 -1.132 9.809 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -20.628 -0.141 10.220 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -21.570 0.880 8.313 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -20.144 0.047 7.726 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -21.492 -1.738 6.758 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -22.947 -1.130 7.523 1.00 0.00 H new ATOM 0 HE ARG B 3 -21.815 0.974 5.946 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -23.284 -2.194 5.318 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -24.002 -1.642 3.801 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -22.828 1.626 4.080 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -23.751 0.466 3.118 1.00 0.00 H new ATOM 2315 N LEU B 4 -18.439 -2.659 11.178 1.00 0.00 N ATOM 2316 CA LEU B 4 -17.913 -2.975 12.514 1.00 0.00 C ATOM 2317 C LEU B 4 -17.920 -1.769 13.462 1.00 0.00 C ATOM 2318 O LEU B 4 -17.878 -0.612 13.034 1.00 0.00 O ATOM 2319 CB LEU B 4 -16.488 -3.544 12.393 1.00 0.00 C ATOM 2320 CG LEU B 4 -16.410 -5.011 11.954 1.00 0.00 C ATOM 2321 CD1 LEU B 4 -14.938 -5.372 11.751 1.00 0.00 C ATOM 2322 CD2 LEU B 4 -16.983 -5.956 13.011 1.00 0.00 C ATOM 0 H LEU B 4 -17.713 -2.585 10.466 1.00 0.00 H new ATOM 0 HA LEU B 4 -18.578 -3.720 12.950 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -15.930 -2.937 11.680 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -15.989 -3.442 13.357 1.00 0.00 H new ATOM 0 HG LEU B 4 -16.992 -5.122 11.039 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -14.859 -6.413 11.438 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -14.508 -4.728 10.984 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.397 -5.232 12.687 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -16.908 -6.985 12.659 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -16.421 -5.848 13.939 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -18.030 -5.710 13.190 1.00 0.00 H new ATOM 2334 N ARG B 5 -17.925 -2.072 14.766 1.00 0.00 N ATOM 2335 CA ARG B 5 -17.922 -1.090 15.864 1.00 0.00 C ATOM 2336 C ARG B 5 -16.532 -0.501 16.159 1.00 0.00 C ATOM 2337 O ARG B 5 -16.427 0.606 16.688 1.00 0.00 O ATOM 2338 CB ARG B 5 -18.467 -1.750 17.143 1.00 0.00 C ATOM 2339 CG ARG B 5 -19.913 -2.255 16.998 1.00 0.00 C ATOM 2340 CD ARG B 5 -20.445 -2.828 18.318 1.00 0.00 C ATOM 2341 NE ARG B 5 -19.750 -4.072 18.704 1.00 0.00 N ATOM 2342 CZ ARG B 5 -19.613 -4.553 19.934 1.00 0.00 C ATOM 2343 NH1 ARG B 5 -20.034 -3.901 20.999 1.00 0.00 N ATOM 2344 NH2 ARG B 5 -19.046 -5.725 20.109 1.00 0.00 N ATOM 0 H ARG B 5 -17.931 -3.036 15.099 1.00 0.00 H new ATOM 0 HA ARG B 5 -18.557 -0.264 15.542 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -17.823 -2.586 17.415 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -18.420 -1.032 17.962 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -20.554 -1.436 16.671 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -19.956 -3.022 16.224 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -20.326 -2.087 19.108 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -21.513 -3.024 18.223 1.00 0.00 H new ATOM 0 HE ARG B 5 -19.333 -4.617 17.950 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -20.484 -2.992 20.895 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -19.910 -4.306 21.927 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -18.716 -6.257 19.304 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -18.936 -6.103 21.050 1.00 0.00 H new ATOM 2358 N HIS B 6 -15.469 -1.232 15.817 1.00 0.00 N ATOM 2359 CA HIS B 6 -14.058 -0.891 16.056 1.00 0.00 C ATOM 2360 C HIS B 6 -13.118 -1.722 15.154 1.00 0.00 C ATOM 2361 O HIS B 6 -13.559 -2.666 14.489 1.00 0.00 O ATOM 2362 CB HIS B 6 -13.719 -1.063 17.550 1.00 0.00 C ATOM 2363 CG HIS B 6 -13.455 -2.488 17.964 1.00 0.00 C ATOM 2364 ND1 HIS B 6 -12.200 -3.000 18.299 1.00 0.00 N ATOM 2365 CD2 HIS B 6 -14.374 -3.494 18.023 1.00 0.00 C ATOM 2366 CE1 HIS B 6 -12.394 -4.304 18.552 1.00 0.00 C ATOM 2367 NE2 HIS B 6 -13.690 -4.631 18.395 1.00 0.00 N ATOM 0 H HIS B 6 -15.571 -2.128 15.340 1.00 0.00 H new ATOM 0 HA HIS B 6 -13.903 0.155 15.791 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -12.841 -0.460 17.784 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -14.543 -0.670 18.146 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -15.431 -3.415 17.818 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -11.617 -4.996 18.842 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -14.095 -5.558 18.528 1.00 0.00 H new ATOM 2375 N PHE B 7 -11.827 -1.374 15.110 1.00 0.00 N ATOM 2376 CA PHE B 7 -10.865 -2.013 14.209 1.00 0.00 C ATOM 2377 C PHE B 7 -10.369 -3.362 14.783 1.00 0.00 C ATOM 2378 O PHE B 7 -9.863 -3.378 15.909 1.00 0.00 O ATOM 2379 CB PHE B 7 -9.725 -1.023 13.906 1.00 0.00 C ATOM 2380 CG PHE B 7 -8.984 -1.334 12.624 1.00 0.00 C ATOM 2381 CD1 PHE B 7 -9.697 -1.414 11.414 1.00 0.00 C ATOM 2382 CD2 PHE B 7 -7.592 -1.536 12.624 1.00 0.00 C ATOM 2383 CE1 PHE B 7 -9.037 -1.750 10.227 1.00 0.00 C ATOM 2384 CE2 PHE B 7 -6.926 -1.845 11.427 1.00 0.00 C ATOM 2385 CZ PHE B 7 -7.651 -1.964 10.230 1.00 0.00 C ATOM 0 H PHE B 7 -11.422 -0.644 15.696 1.00 0.00 H new ATOM 0 HA PHE B 7 -11.349 -2.261 13.264 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -10.136 -0.015 13.844 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -9.018 -1.029 14.736 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -10.758 -1.215 11.401 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -7.035 -1.453 13.546 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.595 -1.845 9.307 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -5.856 -1.991 11.427 1.00 0.00 H new ATOM 0 HZ PHE B 7 -7.142 -2.220 9.313 1.00 0.00 H new ATOM 2395 N PRO B 8 -10.489 -4.490 14.045 1.00 0.00 N ATOM 2396 CA PRO B 8 -10.206 -5.834 14.556 1.00 0.00 C ATOM 2397 C PRO B 8 -8.707 -6.197 14.555 1.00 0.00 C ATOM 2398 O PRO B 8 -8.362 -7.343 14.842 1.00 0.00 O ATOM 2399 CB PRO B 8 -11.014 -6.768 13.648 1.00 0.00 C ATOM 2400 CG PRO B 8 -10.922 -6.067 12.297 1.00 0.00 C ATOM 2401 CD PRO B 8 -11.019 -4.594 12.688 1.00 0.00 C ATOM 0 HA PRO B 8 -10.487 -5.915 15.606 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -10.589 -7.771 13.615 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -12.046 -6.870 13.984 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -9.986 -6.291 11.785 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -11.730 -6.364 11.629 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.448 -3.971 12.000 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -12.052 -4.249 12.647 1.00 0.00 H new ATOM 2409 N CYS B 9 -7.816 -5.252 14.228 1.00 0.00 N ATOM 2410 CA CYS B 9 -6.388 -5.485 14.007 1.00 0.00 C ATOM 2411 C CYS B 9 -5.510 -4.533 14.842 1.00 0.00 C ATOM 2412 O CYS B 9 -5.729 -3.318 14.850 1.00 0.00 O ATOM 2413 CB CYS B 9 -6.157 -5.341 12.497 1.00 0.00 C ATOM 2414 SG CYS B 9 -4.405 -5.590 12.138 1.00 0.00 S ATOM 0 H CYS B 9 -8.080 -4.274 14.107 1.00 0.00 H new ATOM 0 HA CYS B 9 -6.096 -6.481 14.340 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -6.759 -6.070 11.954 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -6.472 -4.353 12.161 1.00 0.00 H new ATOM 0 HG CYS B 9 -4.197 -6.837 11.837 1.00 0.00 H new ATOM 2420 N GLY B 10 -4.502 -5.087 15.532 1.00 0.00 N ATOM 2421 CA GLY B 10 -3.567 -4.348 16.399 1.00 0.00 C ATOM 2422 C GLY B 10 -2.259 -3.911 15.724 1.00 0.00 C ATOM 2423 O GLY B 10 -1.583 -3.022 16.242 1.00 0.00 O ATOM 0 H GLY B 10 -4.308 -6.088 15.503 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -4.074 -3.462 16.782 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.323 -4.972 17.259 1.00 0.00 H new ATOM 2427 N ASN B 11 -1.904 -4.503 14.578 1.00 0.00 N ATOM 2428 CA ASN B 11 -0.684 -4.203 13.811 1.00 0.00 C ATOM 2429 C ASN B 11 -1.047 -3.566 12.460 1.00 0.00 C ATOM 2430 O ASN B 11 -1.639 -4.222 11.603 1.00 0.00 O ATOM 2431 CB ASN B 11 0.129 -5.495 13.610 1.00 0.00 C ATOM 2432 CG ASN B 11 0.734 -6.016 14.913 1.00 0.00 C ATOM 2433 OD1 ASN B 11 1.376 -5.289 15.662 1.00 0.00 O ATOM 2434 ND2 ASN B 11 0.556 -7.289 15.220 1.00 0.00 N ATOM 0 H ASN B 11 -2.475 -5.228 14.143 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.074 -3.489 14.365 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -0.515 -6.262 13.180 1.00 0.00 H new ATOM 0 HB3 ASN B 11 0.927 -5.310 12.891 1.00 0.00 H new ATOM 0 HD21 ASN B 11 0.953 -7.666 16.080 1.00 0.00 H new ATOM 0 HD22 ASN B 11 0.022 -7.894 14.597 1.00 0.00 H new ATOM 2441 N VAL B 12 -0.710 -2.290 12.262 1.00 0.00 N ATOM 2442 CA VAL B 12 -1.181 -1.496 11.120 1.00 0.00 C ATOM 2443 C VAL B 12 -0.224 -0.348 10.786 1.00 0.00 C ATOM 2444 O VAL B 12 0.243 0.380 11.659 1.00 0.00 O ATOM 2445 CB VAL B 12 -2.632 -1.008 11.355 1.00 0.00 C ATOM 2446 CG1 VAL B 12 -2.826 -0.184 12.639 1.00 0.00 C ATOM 2447 CG2 VAL B 12 -3.140 -0.195 10.164 1.00 0.00 C ATOM 0 H VAL B 12 -0.098 -1.773 12.893 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.192 -2.142 10.242 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.214 -1.923 11.471 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.870 0.116 12.724 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.550 -0.788 13.504 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.195 0.704 12.600 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.161 0.134 10.357 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.500 0.675 10.018 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.122 -0.814 9.267 1.00 0.00 H new ATOM 2457 N ASN B 13 0.047 -0.213 9.489 1.00 0.00 N ATOM 2458 CA ASN B 13 0.771 0.883 8.851 1.00 0.00 C ATOM 2459 C ASN B 13 -0.217 1.954 8.347 1.00 0.00 C ATOM 2460 O ASN B 13 -1.090 1.688 7.521 1.00 0.00 O ATOM 2461 CB ASN B 13 1.696 0.352 7.729 1.00 0.00 C ATOM 2462 CG ASN B 13 1.143 -0.735 6.794 1.00 0.00 C ATOM 2463 OD1 ASN B 13 0.027 -1.224 6.911 1.00 0.00 O ATOM 2464 ND2 ASN B 13 1.948 -1.196 5.852 1.00 0.00 N ATOM 0 H ASN B 13 -0.254 -0.914 8.812 1.00 0.00 H new ATOM 0 HA ASN B 13 1.417 1.361 9.588 1.00 0.00 H new ATOM 0 HB2 ASN B 13 1.997 1.200 7.114 1.00 0.00 H new ATOM 0 HB3 ASN B 13 2.600 -0.038 8.197 1.00 0.00 H new ATOM 0 HD21 ASN B 13 1.636 -1.947 5.237 1.00 0.00 H new ATOM 0 HD22 ASN B 13 2.881 -0.800 5.740 1.00 0.00 H new ATOM 2471 N TYR B 14 -0.082 3.184 8.853 1.00 0.00 N ATOM 2472 CA TYR B 14 -0.909 4.328 8.450 1.00 0.00 C ATOM 2473 C TYR B 14 -0.341 4.972 7.171 1.00 0.00 C ATOM 2474 O TYR B 14 0.754 5.543 7.184 1.00 0.00 O ATOM 2475 CB TYR B 14 -1.003 5.327 9.611 1.00 0.00 C ATOM 2476 CG TYR B 14 -1.554 4.736 10.898 1.00 0.00 C ATOM 2477 CD1 TYR B 14 -2.923 4.420 10.995 1.00 0.00 C ATOM 2478 CD2 TYR B 14 -0.703 4.488 11.992 1.00 0.00 C ATOM 2479 CE1 TYR B 14 -3.443 3.856 12.175 1.00 0.00 C ATOM 2480 CE2 TYR B 14 -1.215 3.927 13.179 1.00 0.00 C ATOM 2481 CZ TYR B 14 -2.590 3.608 13.273 1.00 0.00 C ATOM 2482 OH TYR B 14 -3.097 3.070 14.417 1.00 0.00 O ATOM 0 H TYR B 14 0.613 3.417 9.563 1.00 0.00 H new ATOM 0 HA TYR B 14 -1.919 3.992 8.217 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -0.011 5.734 9.807 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.635 6.161 9.307 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.578 4.612 10.158 1.00 0.00 H new ATOM 0 HD2 TYR B 14 0.347 4.729 11.921 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -4.493 3.613 12.241 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -0.558 3.741 14.016 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.378 2.962 15.074 1.00 0.00 H new