USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 590 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 62 MET CE :methyl -156:sc= -0.0672 (180deg=-0.761) USER MOD Set 1.2: A 105 MET CE :methyl -116:sc= -2.62 (180deg=-6.2!) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 55 GLN : amide:sc= -0.936 K(o=-0.93,f=-3.7!) USER MOD Set 3.2: A 66 THR OG1 : rot 180:sc= 0.00561 USER MOD Single : A 22 GLN : amide:sc= -2.57! C(o=-2.6!,f=-4.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.0078) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 39 THR OG1 : rot 38:sc= -4.9 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -127:sc= 0.636 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 31:sc= 0.0316 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.41 F(o=-4.1,f=-1.4) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0857 X(o=-0.086,f=-0.019) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.36! USER MOD Single : A 85 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.2) USER MOD Single : A 87 TYR OH : rot -8:sc= 1.43 USER MOD Single : A 93 SER OG : rot 131:sc= 1.05 USER MOD Single : A 95 ASN : amide:sc= -1.85! C(o=-1.8!,f=-9!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 123:sc= 1.17 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 100:sc= 1.24 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -168:sc= 0.301 USER MOD ----------------------------------------------------------------- ATOM 223 N GLY A 19 -14.562 -12.212 -3.339 1.00 0.00 N ATOM 224 CA GLY A 19 -14.622 -10.863 -3.877 1.00 0.00 C ATOM 225 C GLY A 19 -13.272 -10.156 -3.734 1.00 0.00 C ATOM 226 O GLY A 19 -12.227 -10.804 -3.708 1.00 0.00 O ATOM 0 HA2 GLY A 19 -14.908 -10.899 -4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.392 -10.294 -3.356 1.00 0.00 H new ATOM 230 N PRO A 20 -13.340 -8.801 -3.641 1.00 0.00 N ATOM 231 CA PRO A 20 -12.138 -7.998 -3.501 1.00 0.00 C ATOM 232 C PRO A 20 -11.572 -8.101 -2.083 1.00 0.00 C ATOM 233 O PRO A 20 -12.242 -8.597 -1.178 1.00 0.00 O ATOM 234 CB PRO A 20 -12.561 -6.586 -3.871 1.00 0.00 C ATOM 235 CG PRO A 20 -14.076 -6.561 -3.754 1.00 0.00 C ATOM 236 CD PRO A 20 -14.561 -8.000 -3.667 1.00 0.00 C ATOM 0 HA PRO A 20 -11.328 -8.338 -4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.106 -5.854 -3.204 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.243 -6.336 -4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.381 -6.001 -2.870 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.517 -6.061 -4.616 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.161 -8.162 -2.771 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.187 -8.259 -4.521 1.00 0.00 H new ATOM 241 N PRO A 21 -10.313 -7.611 -1.930 1.00 0.00 N ATOM 242 CA PRO A 21 -9.650 -7.642 -0.637 1.00 0.00 C ATOM 243 C PRO A 21 -10.217 -6.572 0.297 1.00 0.00 C ATOM 244 O PRO A 21 -10.960 -5.694 -0.139 1.00 0.00 O ATOM 245 CB PRO A 21 -8.175 -7.439 -0.946 1.00 0.00 C ATOM 246 CG PRO A 21 -8.121 -6.840 -2.342 1.00 0.00 C ATOM 247 CD PRO A 21 -9.489 -7.016 -2.978 1.00 0.00 C ATOM 0 HA PRO A 21 -9.807 -8.581 -0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.711 -6.774 -0.217 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.634 -8.384 -0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.855 -5.784 -2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.356 -7.334 -2.940 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.898 -6.061 -3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.438 -7.661 -3.855 1.00 0.00 H new ATOM 252 N GLN A 22 -9.846 -6.679 1.563 1.00 0.00 N ATOM 253 CA GLN A 22 -10.309 -5.731 2.563 1.00 0.00 C ATOM 254 C GLN A 22 -9.845 -4.317 2.207 1.00 0.00 C ATOM 255 O GLN A 22 -10.614 -3.363 2.313 1.00 0.00 O ATOM 256 CB GLN A 22 -9.831 -6.130 3.960 1.00 0.00 C ATOM 257 CG GLN A 22 -10.902 -6.936 4.697 1.00 0.00 C ATOM 258 CD GLN A 22 -10.980 -6.529 6.170 1.00 0.00 C ATOM 259 OE1 GLN A 22 -11.934 -5.916 6.621 1.00 0.00 O ATOM 260 NE2 GLN A 22 -9.927 -6.902 6.891 1.00 0.00 N ATOM 0 H GLN A 22 -9.229 -7.408 1.921 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.399 -5.744 2.571 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.917 -6.719 3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.585 -5.236 4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.870 -6.780 4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.677 -8.000 4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.162 -7.413 6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.884 -6.677 7.885 1.00 0.00 H new ATOM 267 N ILE A 23 -8.590 -4.227 1.794 1.00 0.00 N ATOM 268 CA ILE A 23 -8.015 -2.945 1.422 1.00 0.00 C ATOM 269 C ILE A 23 -6.677 -3.177 0.718 1.00 0.00 C ATOM 270 O ILE A 23 -6.080 -4.243 0.848 1.00 0.00 O ATOM 271 CB ILE A 23 -7.917 -2.028 2.643 1.00 0.00 C ATOM 272 CG1 ILE A 23 -7.958 -0.556 2.227 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.676 -2.354 3.476 1.00 0.00 C ATOM 274 CD1 ILE A 23 -6.548 -0.019 1.971 1.00 0.00 C ATOM 0 H ILE A 23 -7.955 -5.020 1.709 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.662 -2.427 0.714 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.786 -2.208 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.562 -0.446 1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.439 0.033 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.631 -1.688 4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.729 -3.387 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.783 -2.220 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.606 1.029 1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.954 -0.109 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.079 -0.594 1.173 1.00 0.00 H new ATOM 285 N VAL A 24 -6.244 -2.159 -0.013 1.00 0.00 N ATOM 286 CA VAL A 24 -4.988 -2.238 -0.736 1.00 0.00 C ATOM 287 C VAL A 24 -4.221 -0.925 -0.564 1.00 0.00 C ATOM 288 O VAL A 24 -4.650 0.118 -1.055 1.00 0.00 O ATOM 289 CB VAL A 24 -5.251 -2.588 -2.203 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.970 -2.474 -3.032 1.00 0.00 C ATOM 291 CG2 VAL A 24 -5.865 -3.982 -2.332 1.00 0.00 C ATOM 0 H VAL A 24 -6.742 -1.275 -0.119 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.364 -3.034 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.969 -1.868 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.185 -2.728 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.592 -1.453 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.220 -3.160 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.042 -4.206 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.181 -4.721 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.810 -4.015 -1.790 1.00 0.00 H new ATOM 301 N LYS A 25 -3.099 -1.020 0.136 1.00 0.00 N ATOM 302 CA LYS A 25 -2.269 0.146 0.380 1.00 0.00 C ATOM 303 C LYS A 25 -0.870 -0.102 -0.185 1.00 0.00 C ATOM 304 O LYS A 25 -0.560 -1.209 -0.622 1.00 0.00 O ATOM 305 CB LYS A 25 -2.276 0.508 1.867 1.00 0.00 C ATOM 306 CG LYS A 25 -3.408 1.486 2.189 1.00 0.00 C ATOM 307 CD LYS A 25 -2.971 2.501 3.247 1.00 0.00 C ATOM 308 CE LYS A 25 -3.503 2.115 4.628 1.00 0.00 C ATOM 309 NZ LYS A 25 -4.460 3.132 5.118 1.00 0.00 N ATOM 0 H LYS A 25 -2.746 -1.887 0.541 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.673 1.016 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.391 -0.396 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.319 0.951 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.711 2.009 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.279 0.936 2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.883 2.557 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.334 3.493 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.992 1.142 4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.674 2.019 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.811 2.854 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.983 4.054 5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.259 3.204 4.456 1.00 0.00 H new ATOM 319 N ILE A 26 -0.060 0.947 -0.159 1.00 0.00 N ATOM 320 CA ILE A 26 1.300 0.857 -0.664 1.00 0.00 C ATOM 321 C ILE A 26 2.282 1.059 0.491 1.00 0.00 C ATOM 322 O ILE A 26 2.418 2.168 1.008 1.00 0.00 O ATOM 323 CB ILE A 26 1.505 1.831 -1.825 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.664 1.425 -3.037 1.00 0.00 C ATOM 325 CG2 ILE A 26 2.989 1.961 -2.176 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.186 2.598 -3.531 1.00 0.00 C ATOM 0 H ILE A 26 -0.320 1.864 0.204 1.00 0.00 H new ATOM 0 HA ILE A 26 1.490 -0.135 -1.074 1.00 0.00 H new ATOM 0 HB ILE A 26 1.161 2.816 -1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.317 1.081 -3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.017 0.589 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.107 2.659 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.537 2.330 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.381 0.986 -2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.774 2.283 -4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.855 2.923 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.465 3.424 -3.818 1.00 0.00 H new ATOM 337 N GLU A 27 2.943 -0.027 0.862 1.00 0.00 N ATOM 338 CA GLU A 27 3.908 0.018 1.946 1.00 0.00 C ATOM 339 C GLU A 27 4.847 1.213 1.771 1.00 0.00 C ATOM 340 O GLU A 27 5.100 1.952 2.722 1.00 0.00 O ATOM 341 CB GLU A 27 4.697 -1.291 2.033 1.00 0.00 C ATOM 342 CG GLU A 27 4.552 -1.929 3.416 1.00 0.00 C ATOM 343 CD GLU A 27 5.725 -1.545 4.322 1.00 0.00 C ATOM 344 OE1 GLU A 27 6.762 -2.236 4.229 1.00 0.00 O ATOM 345 OE2 GLU A 27 5.556 -0.571 5.085 1.00 0.00 O ATOM 0 H GLU A 27 2.829 -0.944 0.431 1.00 0.00 H new ATOM 0 HA GLU A 27 3.366 0.140 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.343 -1.984 1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.750 -1.099 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.615 -1.609 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.504 -3.013 3.317 1.00 0.00 H new ATOM 350 N ASP A 28 5.339 1.366 0.550 1.00 0.00 N ATOM 351 CA ASP A 28 6.244 2.458 0.239 1.00 0.00 C ATOM 352 C ASP A 28 6.753 2.300 -1.195 1.00 0.00 C ATOM 353 O ASP A 28 6.394 1.346 -1.883 1.00 0.00 O ATOM 354 CB ASP A 28 7.455 2.454 1.174 1.00 0.00 C ATOM 355 CG ASP A 28 7.869 3.829 1.701 1.00 0.00 C ATOM 356 OD1 ASP A 28 7.311 4.824 1.192 1.00 0.00 O ATOM 357 OD2 ASP A 28 8.737 3.853 2.601 1.00 0.00 O ATOM 0 H ASP A 28 5.127 0.751 -0.236 1.00 0.00 H new ATOM 0 HA ASP A 28 5.698 3.393 0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.237 1.806 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.301 2.014 0.646 1.00 0.00 H new ATOM 361 N VAL A 29 7.580 3.251 -1.604 1.00 0.00 N ATOM 362 CA VAL A 29 8.142 3.230 -2.944 1.00 0.00 C ATOM 363 C VAL A 29 9.549 3.829 -2.912 1.00 0.00 C ATOM 364 O VAL A 29 9.753 4.914 -2.370 1.00 0.00 O ATOM 365 CB VAL A 29 7.207 3.953 -3.915 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.688 5.258 -3.308 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.899 4.208 -5.255 1.00 0.00 C ATOM 0 H VAL A 29 7.875 4.041 -1.031 1.00 0.00 H new ATOM 0 HA VAL A 29 8.233 2.205 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 29 6.350 3.306 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.026 5.752 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.139 5.040 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.529 5.913 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.212 4.723 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.783 4.826 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.195 3.257 -5.698 1.00 0.00 H new ATOM 377 N TRP A 30 10.483 3.095 -3.499 1.00 0.00 N ATOM 378 CA TRP A 30 11.866 3.540 -3.544 1.00 0.00 C ATOM 379 C TRP A 30 12.389 3.314 -4.964 1.00 0.00 C ATOM 380 O TRP A 30 11.931 2.411 -5.662 1.00 0.00 O ATOM 381 CB TRP A 30 12.705 2.832 -2.478 1.00 0.00 C ATOM 382 CG TRP A 30 12.700 1.306 -2.594 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.654 0.515 -3.102 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.647 0.416 -2.171 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.295 -0.816 -3.037 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.035 -0.879 -2.453 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.406 0.695 -1.570 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.241 -1.996 -2.169 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.625 -0.434 -1.292 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.001 -1.743 -1.570 1.00 0.00 C ATOM 0 H TRP A 30 10.309 2.195 -3.947 1.00 0.00 H new ATOM 0 HA TRP A 30 11.937 4.603 -3.312 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.733 3.188 -2.544 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.333 3.112 -1.492 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.587 0.874 -3.511 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.852 -1.608 -3.358 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.081 1.699 -1.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.567 -2.999 -2.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.662 -0.276 -0.829 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.340 -2.561 -1.325 1.00 0.00 H new ATOM 400 N GLY A 31 13.342 4.151 -5.350 1.00 0.00 N ATOM 401 CA GLY A 31 13.932 4.053 -6.674 1.00 0.00 C ATOM 402 C GLY A 31 12.877 3.683 -7.719 1.00 0.00 C ATOM 403 O GLY A 31 11.916 4.423 -7.926 1.00 0.00 O ATOM 0 H GLY A 31 13.720 4.899 -4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.395 5.003 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.723 3.303 -6.669 1.00 0.00 H new ATOM 407 N GLU A 32 13.091 2.537 -8.349 1.00 0.00 N ATOM 408 CA GLU A 32 12.171 2.060 -9.367 1.00 0.00 C ATOM 409 C GLU A 32 11.414 0.830 -8.863 1.00 0.00 C ATOM 410 O GLU A 32 11.100 -0.071 -9.639 1.00 0.00 O ATOM 411 CB GLU A 32 12.909 1.753 -10.672 1.00 0.00 C ATOM 412 CG GLU A 32 13.542 3.017 -11.255 1.00 0.00 C ATOM 413 CD GLU A 32 14.299 2.705 -12.548 1.00 0.00 C ATOM 414 OE1 GLU A 32 14.961 1.646 -12.577 1.00 0.00 O ATOM 415 OE2 GLU A 32 14.199 3.534 -13.478 1.00 0.00 O ATOM 0 H GLU A 32 13.888 1.925 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 32 11.447 2.848 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.682 1.006 -10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.215 1.324 -11.394 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.767 3.758 -11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.224 3.456 -10.527 1.00 0.00 H new ATOM 420 N ASN A 33 11.142 0.833 -7.566 1.00 0.00 N ATOM 421 CA ASN A 33 10.427 -0.271 -6.949 1.00 0.00 C ATOM 422 C ASN A 33 9.286 0.281 -6.092 1.00 0.00 C ATOM 423 O ASN A 33 9.377 1.390 -5.570 1.00 0.00 O ATOM 424 CB ASN A 33 11.350 -1.086 -6.040 1.00 0.00 C ATOM 425 CG ASN A 33 12.598 -1.545 -6.795 1.00 0.00 C ATOM 426 OD1 ASN A 33 12.681 -2.657 -7.292 1.00 0.00 O ATOM 427 ND2 ASN A 33 13.561 -0.630 -6.855 1.00 0.00 N ATOM 0 H ASN A 33 11.404 1.583 -6.926 1.00 0.00 H new ATOM 0 HA ASN A 33 10.046 -0.912 -7.744 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.642 -0.484 -5.179 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.814 -1.954 -5.655 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.434 -0.840 -7.339 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.426 0.281 -6.417 1.00 0.00 H new ATOM 433 N VAL A 34 8.237 -0.519 -5.974 1.00 0.00 N ATOM 434 CA VAL A 34 7.079 -0.125 -5.189 1.00 0.00 C ATOM 435 C VAL A 34 6.714 -1.254 -4.223 1.00 0.00 C ATOM 436 O VAL A 34 6.984 -2.422 -4.498 1.00 0.00 O ATOM 437 CB VAL A 34 5.926 0.264 -6.117 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.575 -0.064 -5.479 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.007 1.742 -6.502 1.00 0.00 C ATOM 0 H VAL A 34 8.164 -1.439 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 34 7.307 0.755 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 34 6.017 -0.325 -7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.773 0.222 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.517 -1.134 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.471 0.486 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.176 1.992 -7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.954 2.356 -5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.949 1.933 -7.016 1.00 0.00 H new ATOM 449 N ALA A 35 6.107 -0.865 -3.112 1.00 0.00 N ATOM 450 CA ALA A 35 5.703 -1.829 -2.103 1.00 0.00 C ATOM 451 C ALA A 35 4.185 -1.767 -1.923 1.00 0.00 C ATOM 452 O ALA A 35 3.644 -0.730 -1.542 1.00 0.00 O ATOM 453 CB ALA A 35 6.456 -1.552 -0.801 1.00 0.00 C ATOM 0 H ALA A 35 5.885 0.105 -2.888 1.00 0.00 H new ATOM 0 HA ALA A 35 5.957 -2.842 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.153 -2.275 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.528 -1.638 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.224 -0.545 -0.454 1.00 0.00 H new ATOM 459 N LEU A 36 3.541 -2.889 -2.206 1.00 0.00 N ATOM 460 CA LEU A 36 2.096 -2.975 -2.080 1.00 0.00 C ATOM 461 C LEU A 36 1.743 -3.710 -0.785 1.00 0.00 C ATOM 462 O LEU A 36 2.518 -4.538 -0.307 1.00 0.00 O ATOM 463 CB LEU A 36 1.486 -3.609 -3.331 1.00 0.00 C ATOM 464 CG LEU A 36 1.305 -2.681 -4.534 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.388 -3.461 -5.847 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.002 -1.886 -4.421 1.00 0.00 C ATOM 0 H LEU A 36 3.993 -3.747 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 36 1.661 -1.978 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.116 -4.445 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.513 -4.022 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 36 2.123 -1.961 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.256 -2.777 -6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.362 -3.944 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.605 -4.219 -5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.103 -1.234 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.842 -2.575 -4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.022 -1.282 -3.514 1.00 0.00 H new ATOM 477 N THR A 37 0.576 -3.380 -0.254 1.00 0.00 N ATOM 478 CA THR A 37 0.112 -3.997 0.976 1.00 0.00 C ATOM 479 C THR A 37 -1.416 -4.073 0.992 1.00 0.00 C ATOM 480 O THR A 37 -2.091 -3.056 1.146 1.00 0.00 O ATOM 481 CB THR A 37 0.692 -3.206 2.151 1.00 0.00 C ATOM 482 OG1 THR A 37 0.751 -1.866 1.671 1.00 0.00 O ATOM 483 CG2 THR A 37 2.152 -3.565 2.433 1.00 0.00 C ATOM 0 H THR A 37 -0.063 -2.693 -0.653 1.00 0.00 H new ATOM 0 HA THR A 37 0.459 -5.027 1.056 1.00 0.00 H new ATOM 0 HB THR A 37 0.094 -3.389 3.043 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.114 -1.284 2.371 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.515 -2.976 3.275 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.226 -4.626 2.673 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.756 -3.349 1.552 1.00 0.00 H new ATOM 491 N TRP A 38 -1.918 -5.289 0.830 1.00 0.00 N ATOM 492 CA TRP A 38 -3.354 -5.511 0.823 1.00 0.00 C ATOM 493 C TRP A 38 -3.707 -6.364 2.043 1.00 0.00 C ATOM 494 O TRP A 38 -2.838 -7.018 2.619 1.00 0.00 O ATOM 495 CB TRP A 38 -3.806 -6.141 -0.497 1.00 0.00 C ATOM 496 CG TRP A 38 -3.181 -7.509 -0.779 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.685 -8.719 -0.499 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.908 -7.759 -1.412 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.833 -9.727 -0.904 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.718 -9.124 -1.476 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.949 -6.861 -1.913 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.577 -9.714 -2.035 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.185 -7.466 -2.468 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.391 -8.840 -2.541 1.00 0.00 C ATOM 0 H TRP A 38 -1.356 -6.130 0.703 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.890 -4.564 0.893 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.891 -6.244 -0.486 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.558 -5.464 -1.315 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.637 -8.885 -0.017 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.992 -10.729 -0.802 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.077 -5.789 -1.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.451 -10.786 -2.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.954 -6.821 -2.867 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.294 -9.230 -2.986 1.00 0.00 H new ATOM 514 N THR A 39 -4.981 -6.330 2.401 1.00 0.00 N ATOM 515 CA THR A 39 -5.460 -7.091 3.543 1.00 0.00 C ATOM 516 C THR A 39 -6.208 -8.340 3.075 1.00 0.00 C ATOM 517 O THR A 39 -6.668 -8.403 1.935 1.00 0.00 O ATOM 518 CB THR A 39 -6.311 -6.161 4.409 1.00 0.00 C ATOM 519 OG1 THR A 39 -7.159 -5.498 3.477 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.491 -5.031 5.036 1.00 0.00 C ATOM 0 H THR A 39 -5.698 -5.787 1.920 1.00 0.00 H new ATOM 0 HA THR A 39 -4.632 -7.455 4.151 1.00 0.00 H new ATOM 0 HB THR A 39 -6.793 -6.740 5.197 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.432 -6.128 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.143 -4.400 5.640 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.710 -5.455 5.667 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.035 -4.432 4.248 1.00 0.00 H new ATOM 528 N PRO A 40 -6.311 -9.330 4.001 1.00 0.00 N ATOM 529 CA PRO A 40 -6.997 -10.574 3.696 1.00 0.00 C ATOM 530 C PRO A 40 -8.514 -10.377 3.688 1.00 0.00 C ATOM 531 O PRO A 40 -9.009 -9.333 4.111 1.00 0.00 O ATOM 532 CB PRO A 40 -6.530 -11.553 4.761 1.00 0.00 C ATOM 533 CG PRO A 40 -5.968 -10.704 5.889 1.00 0.00 C ATOM 534 CD PRO A 40 -5.779 -9.292 5.360 1.00 0.00 C ATOM 0 HA PRO A 40 -6.763 -10.949 2.700 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.356 -12.172 5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.772 -12.228 4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.647 -10.704 6.742 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.019 -11.111 6.237 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.311 -8.565 5.973 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.728 -9.005 5.366 1.00 0.00 H new ATOM 539 N PRO A 41 -9.228 -11.422 3.191 1.00 0.00 N ATOM 540 CA PRO A 41 -10.679 -11.373 3.124 1.00 0.00 C ATOM 541 C PRO A 41 -11.298 -11.565 4.510 1.00 0.00 C ATOM 542 O PRO A 41 -10.738 -12.261 5.355 1.00 0.00 O ATOM 543 CB PRO A 41 -11.063 -12.471 2.145 1.00 0.00 C ATOM 544 CG PRO A 41 -9.858 -13.393 2.057 1.00 0.00 C ATOM 545 CD PRO A 41 -8.675 -12.674 2.682 1.00 0.00 C ATOM 0 HA PRO A 41 -11.053 -10.407 2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.944 -13.012 2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.308 -12.055 1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.055 -14.329 2.579 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.646 -13.646 1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.231 -13.265 3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.890 -12.491 1.948 1.00 0.00 H new ATOM 550 N LYS A 42 -12.446 -10.933 4.701 1.00 0.00 N ATOM 551 CA LYS A 42 -13.149 -11.024 5.970 1.00 0.00 C ATOM 552 C LYS A 42 -13.865 -12.373 6.055 1.00 0.00 C ATOM 553 O LYS A 42 -14.407 -12.728 7.102 1.00 0.00 O ATOM 554 CB LYS A 42 -14.078 -9.823 6.157 1.00 0.00 C ATOM 555 CG LYS A 42 -13.414 -8.745 7.016 1.00 0.00 C ATOM 556 CD LYS A 42 -14.462 -7.827 7.649 1.00 0.00 C ATOM 557 CE LYS A 42 -14.864 -6.708 6.686 1.00 0.00 C ATOM 558 NZ LYS A 42 -16.139 -7.037 6.013 1.00 0.00 N ATOM 0 H LYS A 42 -12.908 -10.355 3.998 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.443 -10.983 6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.341 -9.407 5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.007 -10.147 6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.817 -9.214 7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.731 -8.156 6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.342 -8.409 7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.065 -7.396 8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.965 -5.770 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.081 -6.561 5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.397 -6.267 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.030 -7.921 5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.887 -7.154 6.725 1.00 0.00 H new ATOM 630 N ILE A 49 -8.836 -19.147 -0.591 1.00 0.00 N ATOM 631 CA ILE A 49 -8.235 -18.179 -1.493 1.00 0.00 C ATOM 632 C ILE A 49 -6.987 -18.791 -2.134 1.00 0.00 C ATOM 633 O ILE A 49 -5.911 -18.784 -1.538 1.00 0.00 O ATOM 634 CB ILE A 49 -7.967 -16.861 -0.763 1.00 0.00 C ATOM 635 CG1 ILE A 49 -9.274 -16.125 -0.461 1.00 0.00 C ATOM 636 CG2 ILE A 49 -6.986 -15.989 -1.548 1.00 0.00 C ATOM 637 CD1 ILE A 49 -9.627 -16.221 1.025 1.00 0.00 C ATOM 0 HA ILE A 49 -8.923 -17.935 -2.303 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.499 -17.090 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.181 -15.078 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -10.081 -16.550 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.813 -15.059 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.042 -16.520 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.403 -15.766 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.560 -15.690 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.743 -17.268 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.829 -15.774 1.618 1.00 0.00 H new ATOM 648 N THR A 50 -7.174 -19.305 -3.341 1.00 0.00 N ATOM 649 CA THR A 50 -6.077 -19.920 -4.070 1.00 0.00 C ATOM 650 C THR A 50 -4.817 -19.059 -3.963 1.00 0.00 C ATOM 651 O THR A 50 -3.724 -19.577 -3.743 1.00 0.00 O ATOM 652 CB THR A 50 -6.537 -20.149 -5.511 1.00 0.00 C ATOM 653 OG1 THR A 50 -7.176 -21.422 -5.474 1.00 0.00 O ATOM 654 CG2 THR A 50 -5.366 -20.348 -6.475 1.00 0.00 C ATOM 0 H THR A 50 -8.068 -19.308 -3.832 1.00 0.00 H new ATOM 0 HA THR A 50 -5.809 -20.886 -3.642 1.00 0.00 H new ATOM 0 HB THR A 50 -7.137 -19.300 -5.839 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.506 -21.648 -6.368 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.748 -20.506 -7.484 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.730 -19.463 -6.463 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.784 -21.217 -6.167 1.00 0.00 H new ATOM 662 N GLY A 51 -5.012 -17.759 -4.126 1.00 0.00 N ATOM 663 CA GLY A 51 -3.905 -16.820 -4.051 1.00 0.00 C ATOM 664 C GLY A 51 -4.384 -15.387 -4.288 1.00 0.00 C ATOM 665 O GLY A 51 -5.556 -15.078 -4.080 1.00 0.00 O ATOM 0 H GLY A 51 -5.920 -17.333 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.429 -16.891 -3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.150 -17.082 -4.793 1.00 0.00 H new ATOM 669 N TYR A 52 -3.453 -14.549 -4.721 1.00 0.00 N ATOM 670 CA TYR A 52 -3.765 -13.156 -4.989 1.00 0.00 C ATOM 671 C TYR A 52 -2.995 -12.646 -6.208 1.00 0.00 C ATOM 672 O TYR A 52 -1.769 -12.553 -6.178 1.00 0.00 O ATOM 673 CB TYR A 52 -3.312 -12.378 -3.753 1.00 0.00 C ATOM 674 CG TYR A 52 -3.791 -12.978 -2.429 1.00 0.00 C ATOM 675 CD1 TYR A 52 -3.238 -14.155 -1.966 1.00 0.00 C ATOM 676 CD2 TYR A 52 -4.774 -12.344 -1.698 1.00 0.00 C ATOM 677 CE1 TYR A 52 -3.689 -14.721 -0.720 1.00 0.00 C ATOM 678 CE2 TYR A 52 -5.225 -12.909 -0.453 1.00 0.00 C ATOM 679 CZ TYR A 52 -4.659 -14.069 -0.025 1.00 0.00 C ATOM 680 OH TYR A 52 -5.085 -14.604 1.151 1.00 0.00 O ATOM 0 H TYR A 52 -2.482 -14.809 -4.893 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.828 -13.034 -5.194 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.223 -12.330 -3.745 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.675 -11.353 -3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.468 -14.651 -2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.206 -11.423 -2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.266 -15.642 -0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.995 -12.423 0.128 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.779 -14.031 1.538 1.00 0.00 H new ATOM 689 N THR A 53 -3.746 -12.328 -7.253 1.00 0.00 N ATOM 690 CA THR A 53 -3.149 -11.831 -8.480 1.00 0.00 C ATOM 691 C THR A 53 -2.858 -10.333 -8.362 1.00 0.00 C ATOM 692 O THR A 53 -3.701 -9.569 -7.895 1.00 0.00 O ATOM 693 CB THR A 53 -4.088 -12.178 -9.638 1.00 0.00 C ATOM 694 OG1 THR A 53 -3.831 -13.556 -9.892 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.694 -11.479 -10.940 1.00 0.00 C ATOM 0 H THR A 53 -4.763 -12.405 -7.274 1.00 0.00 H new ATOM 0 HA THR A 53 -2.186 -12.304 -8.671 1.00 0.00 H new ATOM 0 HB THR A 53 -5.109 -11.903 -9.373 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.629 -13.681 -10.843 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.392 -11.759 -11.729 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.723 -10.399 -10.796 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.686 -11.780 -11.224 1.00 0.00 H new ATOM 703 N ILE A 54 -1.662 -9.959 -8.793 1.00 0.00 N ATOM 704 CA ILE A 54 -1.249 -8.567 -8.741 1.00 0.00 C ATOM 705 C ILE A 54 -1.024 -8.053 -10.165 1.00 0.00 C ATOM 706 O ILE A 54 -0.516 -8.781 -11.017 1.00 0.00 O ATOM 707 CB ILE A 54 -0.033 -8.403 -7.828 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.407 -8.655 -6.366 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.620 -7.033 -8.025 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.489 -9.729 -5.747 1.00 0.00 C ATOM 0 H ILE A 54 -0.966 -10.596 -9.180 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.034 -7.952 -8.300 1.00 0.00 H new ATOM 0 HB ILE A 54 0.706 -9.155 -8.105 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.315 -7.729 -5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.450 -8.966 -6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.482 -6.942 -7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.944 -6.930 -9.061 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.101 -6.249 -7.791 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.201 -9.888 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.376 -10.661 -6.301 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.529 -9.405 -5.790 1.00 0.00 H new ATOM 721 N GLN A 55 -1.412 -6.805 -10.378 1.00 0.00 N ATOM 722 CA GLN A 55 -1.258 -6.186 -11.683 1.00 0.00 C ATOM 723 C GLN A 55 -0.879 -4.711 -11.530 1.00 0.00 C ATOM 724 O GLN A 55 -1.383 -4.027 -10.641 1.00 0.00 O ATOM 725 CB GLN A 55 -2.532 -6.340 -12.517 1.00 0.00 C ATOM 726 CG GLN A 55 -2.818 -7.814 -12.812 1.00 0.00 C ATOM 727 CD GLN A 55 -3.329 -7.997 -14.243 1.00 0.00 C ATOM 728 OE1 GLN A 55 -3.108 -7.176 -15.118 1.00 0.00 O ATOM 729 NE2 GLN A 55 -4.024 -9.116 -14.430 1.00 0.00 N ATOM 0 H GLN A 55 -1.833 -6.205 -9.668 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.452 -6.695 -12.212 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.376 -5.902 -11.984 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.427 -5.792 -13.453 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.910 -8.400 -12.668 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.557 -8.193 -12.107 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.172 -9.760 -13.653 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.409 -9.329 -15.350 1.00 0.00 H new ATOM 736 N LYS A 56 0.007 -4.267 -12.410 1.00 0.00 N ATOM 737 CA LYS A 56 0.460 -2.887 -12.383 1.00 0.00 C ATOM 738 C LYS A 56 -0.006 -2.177 -13.656 1.00 0.00 C ATOM 739 O LYS A 56 -0.291 -2.824 -14.663 1.00 0.00 O ATOM 740 CB LYS A 56 1.973 -2.823 -12.162 1.00 0.00 C ATOM 741 CG LYS A 56 2.729 -3.195 -13.438 1.00 0.00 C ATOM 742 CD LYS A 56 4.075 -3.845 -13.109 1.00 0.00 C ATOM 743 CE LYS A 56 4.572 -4.699 -14.276 1.00 0.00 C ATOM 744 NZ LYS A 56 5.871 -5.325 -13.944 1.00 0.00 N ATOM 0 H LYS A 56 0.423 -4.838 -13.146 1.00 0.00 H new ATOM 0 HA LYS A 56 0.016 -2.357 -11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.256 -1.819 -11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.256 -3.501 -11.357 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.127 -3.880 -14.035 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.890 -2.302 -14.043 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.809 -3.073 -12.880 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.975 -4.464 -12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.838 -5.471 -14.508 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.677 -4.081 -15.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.194 -5.901 -14.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.573 -4.584 -13.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.760 -5.931 -13.106 1.00 0.00 H new ATOM 754 N ALA A 57 -0.068 -0.857 -13.570 1.00 0.00 N ATOM 755 CA ALA A 57 -0.494 -0.052 -14.704 1.00 0.00 C ATOM 756 C ALA A 57 0.049 1.369 -14.546 1.00 0.00 C ATOM 757 O ALA A 57 0.437 1.772 -13.451 1.00 0.00 O ATOM 758 CB ALA A 57 -2.020 -0.085 -14.808 1.00 0.00 C ATOM 0 H ALA A 57 0.169 -0.324 -12.733 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.095 -0.456 -15.634 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.340 0.518 -15.658 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.353 -1.113 -14.947 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.456 0.317 -13.893 1.00 0.00 H new ATOM 764 N ASP A 58 0.059 2.091 -15.658 1.00 0.00 N ATOM 765 CA ASP A 58 0.548 3.459 -15.658 1.00 0.00 C ATOM 766 C ASP A 58 -0.592 4.403 -16.045 1.00 0.00 C ATOM 767 O ASP A 58 -1.701 3.957 -16.333 1.00 0.00 O ATOM 768 CB ASP A 58 1.677 3.640 -16.674 1.00 0.00 C ATOM 769 CG ASP A 58 2.936 4.315 -16.128 1.00 0.00 C ATOM 770 OD1 ASP A 58 2.805 5.015 -15.101 1.00 0.00 O ATOM 771 OD2 ASP A 58 4.002 4.116 -16.749 1.00 0.00 O ATOM 0 H ASP A 58 -0.264 1.754 -16.565 1.00 0.00 H new ATOM 0 HA ASP A 58 0.922 3.684 -14.659 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.950 2.662 -17.069 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.301 4.229 -17.511 1.00 0.00 H new ATOM 775 N LYS A 59 -0.280 5.691 -16.037 1.00 0.00 N ATOM 776 CA LYS A 59 -1.264 6.702 -16.384 1.00 0.00 C ATOM 777 C LYS A 59 -1.204 6.972 -17.889 1.00 0.00 C ATOM 778 O LYS A 59 -1.681 8.004 -18.358 1.00 0.00 O ATOM 779 CB LYS A 59 -1.071 7.954 -15.527 1.00 0.00 C ATOM 780 CG LYS A 59 -2.018 7.948 -14.325 1.00 0.00 C ATOM 781 CD LYS A 59 -3.321 8.680 -14.651 1.00 0.00 C ATOM 782 CE LYS A 59 -4.316 7.747 -15.343 1.00 0.00 C ATOM 783 NZ LYS A 59 -5.687 7.986 -14.838 1.00 0.00 N ATOM 0 H LYS A 59 0.641 6.057 -15.796 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.270 6.345 -16.164 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.039 8.006 -15.181 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.250 8.843 -16.131 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.237 6.920 -14.035 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.533 8.424 -13.473 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.761 9.071 -13.734 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.111 9.535 -15.294 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.286 7.908 -16.421 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.033 6.709 -15.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.350 7.345 -15.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.715 7.810 -13.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.960 8.971 -15.028 1.00 0.00 H new ATOM 793 N LYS A 60 -0.614 6.025 -18.604 1.00 0.00 N ATOM 794 CA LYS A 60 -0.485 6.148 -20.046 1.00 0.00 C ATOM 795 C LYS A 60 -1.823 5.804 -20.704 1.00 0.00 C ATOM 796 O LYS A 60 -2.395 6.623 -21.421 1.00 0.00 O ATOM 797 CB LYS A 60 0.686 5.304 -20.554 1.00 0.00 C ATOM 798 CG LYS A 60 1.983 6.115 -20.564 1.00 0.00 C ATOM 799 CD LYS A 60 3.149 5.291 -20.012 1.00 0.00 C ATOM 800 CE LYS A 60 4.343 5.323 -20.967 1.00 0.00 C ATOM 801 NZ LYS A 60 5.310 6.364 -20.554 1.00 0.00 N ATOM 0 H LYS A 60 -0.220 5.170 -18.212 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.249 7.176 -20.321 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.807 4.425 -19.920 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.470 4.944 -21.560 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.208 6.435 -21.581 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.856 7.018 -19.967 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.447 5.682 -19.039 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.830 4.260 -19.858 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.832 4.349 -20.980 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.999 5.520 -21.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.114 6.372 -21.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.845 7.294 -20.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.652 6.159 -19.593 1.00 0.00 H new ATOM 811 N SER A 61 -2.282 4.590 -20.437 1.00 0.00 N ATOM 812 CA SER A 61 -3.541 4.127 -20.994 1.00 0.00 C ATOM 813 C SER A 61 -4.205 3.137 -20.035 1.00 0.00 C ATOM 814 O SER A 61 -5.065 2.356 -20.441 1.00 0.00 O ATOM 815 CB SER A 61 -3.333 3.479 -22.365 1.00 0.00 C ATOM 816 OG SER A 61 -3.493 4.416 -23.427 1.00 0.00 O ATOM 0 H SER A 61 -1.804 3.913 -19.842 1.00 0.00 H new ATOM 0 HA SER A 61 -4.194 4.990 -21.126 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.335 3.044 -22.413 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.044 2.662 -22.492 1.00 0.00 H new ATOM 0 HG SER A 61 -3.217 5.306 -23.123 1.00 0.00 H new ATOM 821 N MET A 62 -3.782 3.202 -18.781 1.00 0.00 N ATOM 822 CA MET A 62 -4.325 2.321 -17.762 1.00 0.00 C ATOM 823 C MET A 62 -4.145 0.853 -18.153 1.00 0.00 C ATOM 824 O MET A 62 -5.014 0.024 -17.885 1.00 0.00 O ATOM 825 CB MET A 62 -5.813 2.619 -17.568 1.00 0.00 C ATOM 826 CG MET A 62 -6.025 4.049 -17.068 1.00 0.00 C ATOM 827 SD MET A 62 -5.162 4.289 -15.523 1.00 0.00 S ATOM 828 CE MET A 62 -6.154 3.263 -14.452 1.00 0.00 C ATOM 0 H MET A 62 -3.069 3.851 -18.448 1.00 0.00 H new ATOM 0 HA MET A 62 -3.786 2.498 -16.831 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.342 2.477 -18.511 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.239 1.914 -16.854 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.663 4.760 -17.811 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.089 4.242 -16.934 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.049 3.604 -13.422 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.200 3.329 -14.752 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.820 2.228 -14.527 1.00 0.00 H new ATOM 836 N GLU A 63 -3.011 0.575 -18.779 1.00 0.00 N ATOM 837 CA GLU A 63 -2.705 -0.778 -19.210 1.00 0.00 C ATOM 838 C GLU A 63 -2.308 -1.640 -18.010 1.00 0.00 C ATOM 839 O GLU A 63 -1.438 -1.258 -17.228 1.00 0.00 O ATOM 840 CB GLU A 63 -1.607 -0.780 -20.275 1.00 0.00 C ATOM 841 CG GLU A 63 -1.962 0.158 -21.430 1.00 0.00 C ATOM 842 CD GLU A 63 -1.818 -0.552 -22.778 1.00 0.00 C ATOM 843 OE1 GLU A 63 -0.665 -0.642 -23.253 1.00 0.00 O ATOM 844 OE2 GLU A 63 -2.864 -0.990 -23.302 1.00 0.00 O ATOM 0 H GLU A 63 -2.292 1.265 -18.998 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.601 -1.206 -19.660 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.662 -0.471 -19.828 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.465 -1.792 -20.654 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.985 0.516 -21.311 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.313 1.033 -21.405 1.00 0.00 H new ATOM 849 N TRP A 64 -2.964 -2.786 -17.902 1.00 0.00 N ATOM 850 CA TRP A 64 -2.689 -3.705 -16.811 1.00 0.00 C ATOM 851 C TRP A 64 -1.943 -4.912 -17.384 1.00 0.00 C ATOM 852 O TRP A 64 -2.347 -5.467 -18.405 1.00 0.00 O ATOM 853 CB TRP A 64 -3.977 -4.091 -16.081 1.00 0.00 C ATOM 854 CG TRP A 64 -4.767 -2.897 -15.541 1.00 0.00 C ATOM 855 CD1 TRP A 64 -5.732 -2.199 -16.156 1.00 0.00 C ATOM 856 CD2 TRP A 64 -4.621 -2.286 -14.241 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.215 -1.187 -15.352 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.518 -1.242 -14.151 1.00 0.00 C ATOM 859 CE3 TRP A 64 -3.759 -2.606 -13.177 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.640 -0.432 -13.015 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -3.892 -1.787 -12.050 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.791 -0.732 -11.943 1.00 0.00 C ATOM 0 H TRP A 64 -3.685 -3.099 -18.552 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.058 -3.231 -16.059 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.613 -4.657 -16.762 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.728 -4.754 -15.252 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.087 -2.403 -17.155 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.949 -0.521 -15.595 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.050 -3.420 -13.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.351 0.380 -12.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.251 -1.989 -11.204 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.834 -0.146 -11.037 1.00 0.00 H new ATOM 872 N PHE A 65 -0.868 -5.281 -16.703 1.00 0.00 N ATOM 873 CA PHE A 65 -0.063 -6.412 -17.133 1.00 0.00 C ATOM 874 C PHE A 65 0.220 -7.358 -15.964 1.00 0.00 C ATOM 875 O PHE A 65 0.862 -6.971 -14.989 1.00 0.00 O ATOM 876 CB PHE A 65 1.262 -5.846 -17.648 1.00 0.00 C ATOM 877 CG PHE A 65 1.399 -5.871 -19.172 1.00 0.00 C ATOM 878 CD1 PHE A 65 1.483 -7.060 -19.828 1.00 0.00 C ATOM 879 CD2 PHE A 65 1.435 -4.705 -19.871 1.00 0.00 C ATOM 880 CE1 PHE A 65 1.610 -7.083 -21.242 1.00 0.00 C ATOM 881 CE2 PHE A 65 1.563 -4.728 -21.285 1.00 0.00 C ATOM 882 CZ PHE A 65 1.647 -5.917 -21.941 1.00 0.00 C ATOM 0 H PHE A 65 -0.536 -4.817 -15.857 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.591 -6.975 -17.902 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.365 -4.818 -17.301 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.083 -6.414 -17.210 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.453 -7.986 -19.273 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.366 -3.761 -19.350 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.677 -8.027 -21.763 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.594 -3.802 -21.840 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.743 -5.935 -23.017 1.00 0.00 H new ATOM 891 N THR A 66 -0.272 -8.579 -16.102 1.00 0.00 N ATOM 892 CA THR A 66 -0.079 -9.585 -15.070 1.00 0.00 C ATOM 893 C THR A 66 1.316 -9.459 -14.456 1.00 0.00 C ATOM 894 O THR A 66 2.318 -9.519 -15.167 1.00 0.00 O ATOM 895 CB THR A 66 -0.349 -10.957 -15.691 1.00 0.00 C ATOM 896 OG1 THR A 66 -1.712 -10.892 -16.101 1.00 0.00 O ATOM 897 CG2 THR A 66 -0.325 -12.083 -14.655 1.00 0.00 C ATOM 0 H THR A 66 -0.804 -8.896 -16.912 1.00 0.00 H new ATOM 0 HA THR A 66 -0.776 -9.443 -14.244 1.00 0.00 H new ATOM 0 HB THR A 66 0.394 -11.158 -16.463 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.970 -11.742 -16.516 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.522 -13.035 -15.148 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.654 -12.117 -14.178 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.090 -11.900 -13.901 1.00 0.00 H new ATOM 905 N VAL A 67 1.336 -9.288 -13.143 1.00 0.00 N ATOM 906 CA VAL A 67 2.593 -9.153 -12.425 1.00 0.00 C ATOM 907 C VAL A 67 2.925 -10.476 -11.733 1.00 0.00 C ATOM 908 O VAL A 67 4.058 -10.948 -11.800 1.00 0.00 O ATOM 909 CB VAL A 67 2.517 -7.973 -11.454 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.629 -8.053 -10.406 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.567 -6.641 -12.204 1.00 0.00 C ATOM 0 H VAL A 67 0.503 -9.240 -12.557 1.00 0.00 H new ATOM 0 HA VAL A 67 3.406 -8.935 -13.117 1.00 0.00 H new ATOM 0 HB VAL A 67 1.561 -8.029 -10.934 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.552 -7.203 -9.728 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.529 -8.979 -9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.599 -8.035 -10.903 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.511 -5.819 -11.490 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.500 -6.573 -12.763 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.725 -6.580 -12.894 1.00 0.00 H new ATOM 921 N ILE A 68 1.915 -11.038 -11.085 1.00 0.00 N ATOM 922 CA ILE A 68 2.085 -12.298 -10.382 1.00 0.00 C ATOM 923 C ILE A 68 0.732 -13.004 -10.275 1.00 0.00 C ATOM 924 O ILE A 68 -0.277 -12.376 -9.958 1.00 0.00 O ATOM 925 CB ILE A 68 2.769 -12.070 -9.032 1.00 0.00 C ATOM 926 CG1 ILE A 68 3.951 -13.024 -8.849 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.764 -12.176 -7.884 1.00 0.00 C ATOM 928 CD1 ILE A 68 5.065 -12.365 -8.032 1.00 0.00 C ATOM 0 H ILE A 68 0.976 -10.644 -11.032 1.00 0.00 H new ATOM 0 HA ILE A 68 2.747 -12.960 -10.941 1.00 0.00 H new ATOM 0 HB ILE A 68 3.168 -11.056 -9.018 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.616 -13.932 -8.348 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.337 -13.322 -9.824 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.276 -12.010 -6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.985 -11.425 -8.012 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.314 -13.169 -7.885 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.893 -13.064 -7.916 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.414 -11.471 -8.548 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.682 -12.091 -7.049 1.00 0.00 H new ATOM 939 N GLU A 69 0.754 -14.301 -10.544 1.00 0.00 N ATOM 940 CA GLU A 69 -0.458 -15.099 -10.482 1.00 0.00 C ATOM 941 C GLU A 69 -0.255 -16.302 -9.557 1.00 0.00 C ATOM 942 O GLU A 69 0.801 -16.931 -9.574 1.00 0.00 O ATOM 943 CB GLU A 69 -0.891 -15.549 -11.879 1.00 0.00 C ATOM 944 CG GLU A 69 -1.228 -14.347 -12.762 1.00 0.00 C ATOM 945 CD GLU A 69 -2.692 -14.384 -13.204 1.00 0.00 C ATOM 946 OE1 GLU A 69 -2.983 -15.164 -14.136 1.00 0.00 O ATOM 947 OE2 GLU A 69 -3.486 -13.630 -12.600 1.00 0.00 O ATOM 0 H GLU A 69 1.593 -14.819 -10.806 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.256 -14.480 -10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.094 -16.132 -12.341 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.760 -16.203 -11.801 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.033 -13.424 -12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.580 -14.342 -13.638 1.00 0.00 H new ATOM 952 N HIS A 70 -1.285 -16.584 -8.772 1.00 0.00 N ATOM 953 CA HIS A 70 -1.232 -17.699 -7.842 1.00 0.00 C ATOM 954 C HIS A 70 -0.163 -17.433 -6.781 1.00 0.00 C ATOM 955 O HIS A 70 0.741 -18.245 -6.589 1.00 0.00 O ATOM 956 CB HIS A 70 -1.014 -19.018 -8.587 1.00 0.00 C ATOM 957 CG HIS A 70 -1.751 -19.109 -9.902 1.00 0.00 C ATOM 958 ND1 HIS A 70 -1.469 -18.565 -11.121 1.00 0.00 N flip ATOM 959 CD2 HIS A 70 -2.923 -19.829 -10.057 1.00 0.00 C flip ATOM 960 CE1 HIS A 70 -2.418 -18.932 -11.973 1.00 0.00 C flip ATOM 961 NE2 HIS A 70 -3.320 -19.715 -11.316 1.00 0.00 N flip ATOM 0 H HIS A 70 -2.160 -16.060 -8.761 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.188 -17.793 -7.327 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.053 -19.148 -8.770 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.330 -19.842 -7.947 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.428 -20.388 -9.283 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.468 -18.656 -13.016 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.154 -20.139 -11.722 1.00 0.00 H new ATOM 968 N TYR A 71 -0.301 -16.293 -6.120 1.00 0.00 N ATOM 969 CA TYR A 71 0.642 -15.910 -5.083 1.00 0.00 C ATOM 970 C TYR A 71 0.255 -16.523 -3.736 1.00 0.00 C ATOM 971 O TYR A 71 -0.565 -17.438 -3.679 1.00 0.00 O ATOM 972 CB TYR A 71 0.560 -14.385 -4.981 1.00 0.00 C ATOM 973 CG TYR A 71 1.874 -13.718 -4.573 1.00 0.00 C ATOM 974 CD1 TYR A 71 3.044 -14.039 -5.229 1.00 0.00 C ATOM 975 CD2 TYR A 71 1.888 -12.793 -3.548 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.281 -13.410 -4.845 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.125 -12.164 -3.164 1.00 0.00 C ATOM 978 CZ TYR A 71 4.261 -12.503 -3.831 1.00 0.00 C ATOM 979 OH TYR A 71 5.429 -11.909 -3.468 1.00 0.00 O ATOM 0 H TYR A 71 -1.052 -15.622 -6.283 1.00 0.00 H new ATOM 0 HA TYR A 71 1.645 -16.259 -5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.244 -13.983 -5.944 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.210 -14.120 -4.257 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.032 -14.762 -6.031 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.972 -12.541 -3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.204 -13.653 -5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.150 -11.439 -2.364 1.00 0.00 H new ATOM 0 HH TYR A 71 5.263 -11.284 -2.732 1.00 0.00 H new ATOM 988 N HIS A 72 0.863 -15.993 -2.685 1.00 0.00 N ATOM 989 CA HIS A 72 0.592 -16.477 -1.342 1.00 0.00 C ATOM 990 C HIS A 72 0.550 -15.295 -0.370 1.00 0.00 C ATOM 991 O HIS A 72 -0.514 -14.943 0.137 1.00 0.00 O ATOM 992 CB HIS A 72 1.610 -17.544 -0.933 1.00 0.00 C ATOM 993 CG HIS A 72 1.676 -17.791 0.556 1.00 0.00 C ATOM 994 ND1 HIS A 72 0.788 -18.621 1.218 1.00 0.00 N ATOM 995 CD2 HIS A 72 2.533 -17.310 1.501 1.00 0.00 C ATOM 996 CE1 HIS A 72 1.104 -18.631 2.504 1.00 0.00 C ATOM 997 NE2 HIS A 72 2.186 -17.818 2.678 1.00 0.00 N ATOM 0 H HIS A 72 1.542 -15.234 -2.736 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.385 -16.960 -1.316 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.363 -18.479 -1.436 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.597 -17.244 -1.285 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.354 -16.631 1.323 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.595 -19.185 3.279 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.652 -17.631 3.566 1.00 0.00 H new ATOM 1004 N ARG A 73 1.718 -14.716 -0.140 1.00 0.00 N ATOM 1005 CA ARG A 73 1.828 -13.582 0.761 1.00 0.00 C ATOM 1006 C ARG A 73 0.792 -12.515 0.400 1.00 0.00 C ATOM 1007 O ARG A 73 0.103 -12.632 -0.612 1.00 0.00 O ATOM 1008 CB ARG A 73 3.227 -12.966 0.703 1.00 0.00 C ATOM 1009 CG ARG A 73 3.751 -12.662 2.109 1.00 0.00 C ATOM 1010 CD ARG A 73 4.745 -13.731 2.565 1.00 0.00 C ATOM 1011 NE ARG A 73 6.026 -13.099 2.952 1.00 0.00 N ATOM 1012 CZ ARG A 73 7.184 -13.763 3.079 1.00 0.00 C ATOM 1013 NH1 ARG A 73 7.227 -15.083 2.851 1.00 0.00 N ATOM 1014 NH2 ARG A 73 8.297 -13.107 3.433 1.00 0.00 N ATOM 0 H ARG A 73 2.598 -15.011 -0.563 1.00 0.00 H new ATOM 0 HA ARG A 73 1.645 -13.943 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.909 -13.650 0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.200 -12.049 0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.233 -11.684 2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.917 -12.613 2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.334 -14.285 3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.912 -14.450 1.763 1.00 0.00 H new ATOM 0 HE ARG A 73 6.028 -12.095 3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.379 -15.582 2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.108 -15.589 2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.264 -12.102 3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.178 -13.612 3.530 1.00 0.00 H new ATOM 1025 N THR A 74 0.717 -11.499 1.246 1.00 0.00 N ATOM 1026 CA THR A 74 -0.223 -10.412 1.029 1.00 0.00 C ATOM 1027 C THR A 74 0.515 -9.153 0.572 1.00 0.00 C ATOM 1028 O THR A 74 -0.084 -8.085 0.456 1.00 0.00 O ATOM 1029 CB THR A 74 -1.023 -10.214 2.318 1.00 0.00 C ATOM 1030 OG1 THR A 74 -0.026 -10.060 3.325 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.783 -11.475 2.735 1.00 0.00 C ATOM 0 H THR A 74 1.292 -11.405 2.083 1.00 0.00 H new ATOM 0 HA THR A 74 -0.924 -10.649 0.228 1.00 0.00 H new ATOM 0 HB THR A 74 -1.728 -9.393 2.185 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.457 -9.925 4.194 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.334 -11.280 3.655 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.481 -11.756 1.947 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.076 -12.288 2.901 1.00 0.00 H new ATOM 1039 N SER A 75 1.807 -9.319 0.325 1.00 0.00 N ATOM 1040 CA SER A 75 2.633 -8.209 -0.117 1.00 0.00 C ATOM 1041 C SER A 75 3.600 -8.677 -1.205 1.00 0.00 C ATOM 1042 O SER A 75 4.063 -9.816 -1.180 1.00 0.00 O ATOM 1043 CB SER A 75 3.405 -7.597 1.054 1.00 0.00 C ATOM 1044 OG SER A 75 3.486 -8.488 2.163 1.00 0.00 O ATOM 0 H SER A 75 2.301 -10.206 0.423 1.00 0.00 H new ATOM 0 HA SER A 75 1.980 -7.439 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.411 -7.333 0.727 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.918 -6.673 1.366 1.00 0.00 H new ATOM 0 HG SER A 75 3.987 -8.062 2.889 1.00 0.00 H new ATOM 1049 N ALA A 76 3.878 -7.774 -2.134 1.00 0.00 N ATOM 1050 CA ALA A 76 4.783 -8.081 -3.229 1.00 0.00 C ATOM 1051 C ALA A 76 5.452 -6.792 -3.709 1.00 0.00 C ATOM 1052 O ALA A 76 4.785 -5.776 -3.901 1.00 0.00 O ATOM 1053 CB ALA A 76 4.011 -8.788 -4.346 1.00 0.00 C ATOM 0 H ALA A 76 3.493 -6.830 -2.151 1.00 0.00 H new ATOM 0 HA ALA A 76 5.571 -8.757 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.689 -9.018 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.580 -9.712 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.214 -8.137 -4.705 1.00 0.00 H new ATOM 1059 N THR A 77 6.762 -6.875 -3.889 1.00 0.00 N ATOM 1060 CA THR A 77 7.529 -5.727 -4.342 1.00 0.00 C ATOM 1061 C THR A 77 7.444 -5.596 -5.863 1.00 0.00 C ATOM 1062 O THR A 77 7.666 -6.565 -6.587 1.00 0.00 O ATOM 1063 CB THR A 77 8.961 -5.882 -3.825 1.00 0.00 C ATOM 1064 OG1 THR A 77 8.838 -5.736 -2.412 1.00 0.00 O ATOM 1065 CG2 THR A 77 9.863 -4.718 -4.242 1.00 0.00 C ATOM 0 H THR A 77 7.312 -7.719 -3.729 1.00 0.00 H new ATOM 0 HA THR A 77 7.122 -4.797 -3.944 1.00 0.00 H new ATOM 0 HB THR A 77 9.381 -6.818 -4.194 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.721 -5.824 -1.996 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.867 -4.877 -3.850 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.903 -4.661 -5.330 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.462 -3.786 -3.844 1.00 0.00 H new ATOM 1073 N ILE A 78 7.122 -4.388 -6.304 1.00 0.00 N ATOM 1074 CA ILE A 78 7.005 -4.117 -7.726 1.00 0.00 C ATOM 1075 C ILE A 78 8.290 -3.450 -8.222 1.00 0.00 C ATOM 1076 O ILE A 78 9.105 -2.995 -7.422 1.00 0.00 O ATOM 1077 CB ILE A 78 5.739 -3.306 -8.015 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.526 -3.913 -7.308 1.00 0.00 C ATOM 1079 CG2 ILE A 78 5.513 -3.161 -9.521 1.00 0.00 C ATOM 1080 CD1 ILE A 78 3.932 -5.060 -8.127 1.00 0.00 C ATOM 0 H ILE A 78 6.939 -3.586 -5.701 1.00 0.00 H new ATOM 0 HA ILE A 78 6.894 -5.047 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 78 5.876 -2.302 -7.613 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.819 -4.278 -6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.770 -3.144 -7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.607 -2.581 -9.699 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.365 -2.650 -9.969 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.405 -4.149 -9.969 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.071 -5.474 -7.602 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.618 -4.687 -9.102 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.683 -5.838 -8.262 1.00 0.00 H new ATOM 1091 N THR A 79 8.429 -3.412 -9.539 1.00 0.00 N ATOM 1092 CA THR A 79 9.601 -2.808 -10.151 1.00 0.00 C ATOM 1093 C THR A 79 9.278 -2.337 -11.570 1.00 0.00 C ATOM 1094 O THR A 79 8.130 -2.017 -11.875 1.00 0.00 O ATOM 1095 CB THR A 79 10.741 -3.825 -10.094 1.00 0.00 C ATOM 1096 OG1 THR A 79 11.858 -3.127 -10.637 1.00 0.00 O ATOM 1097 CG2 THR A 79 10.531 -4.997 -11.056 1.00 0.00 C ATOM 0 H THR A 79 7.750 -3.790 -10.200 1.00 0.00 H new ATOM 0 HA THR A 79 9.915 -1.916 -9.609 1.00 0.00 H new ATOM 0 HB THR A 79 10.837 -4.204 -9.076 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.643 -3.714 -10.636 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.369 -5.689 -10.975 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.607 -5.515 -10.801 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.467 -4.622 -12.078 1.00 0.00 H new ATOM 1105 N GLU A 80 10.311 -2.308 -12.399 1.00 0.00 N ATOM 1106 CA GLU A 80 10.152 -1.880 -13.778 1.00 0.00 C ATOM 1107 C GLU A 80 9.379 -0.561 -13.840 1.00 0.00 C ATOM 1108 O GLU A 80 8.500 -0.392 -14.683 1.00 0.00 O ATOM 1109 CB GLU A 80 9.459 -2.961 -14.611 1.00 0.00 C ATOM 1110 CG GLU A 80 10.483 -3.824 -15.350 1.00 0.00 C ATOM 1111 CD GLU A 80 10.151 -3.911 -16.841 1.00 0.00 C ATOM 1112 OE1 GLU A 80 8.981 -4.227 -17.145 1.00 0.00 O ATOM 1113 OE2 GLU A 80 11.077 -3.661 -17.644 1.00 0.00 O ATOM 0 H GLU A 80 11.262 -2.574 -12.142 1.00 0.00 H new ATOM 0 HA GLU A 80 11.142 -1.718 -14.204 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.849 -3.590 -13.962 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.785 -2.495 -15.329 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.480 -3.404 -15.220 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.500 -4.825 -14.918 1.00 0.00 H new ATOM 1118 N LEU A 81 9.734 0.339 -12.935 1.00 0.00 N ATOM 1119 CA LEU A 81 9.086 1.638 -12.875 1.00 0.00 C ATOM 1120 C LEU A 81 10.046 2.707 -13.400 1.00 0.00 C ATOM 1121 O LEU A 81 11.250 2.637 -13.159 1.00 0.00 O ATOM 1122 CB LEU A 81 8.569 1.914 -11.462 1.00 0.00 C ATOM 1123 CG LEU A 81 7.446 1.001 -10.968 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.124 1.273 -9.496 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.207 1.125 -11.857 1.00 0.00 C ATOM 0 H LEU A 81 10.463 0.194 -12.236 1.00 0.00 H new ATOM 0 HA LEU A 81 8.207 1.656 -13.519 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.406 1.835 -10.768 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.217 2.945 -11.420 1.00 0.00 H new ATOM 0 HG LEU A 81 7.791 -0.031 -11.037 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.322 0.610 -9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.012 1.093 -8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.808 2.310 -9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.424 0.465 -11.484 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.851 2.155 -11.843 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.462 0.843 -12.878 1.00 0.00 H new ATOM 1136 N VAL A 82 9.476 3.672 -14.106 1.00 0.00 N ATOM 1137 CA VAL A 82 10.267 4.755 -14.666 1.00 0.00 C ATOM 1138 C VAL A 82 10.045 6.023 -13.840 1.00 0.00 C ATOM 1139 O VAL A 82 8.971 6.622 -13.891 1.00 0.00 O ATOM 1140 CB VAL A 82 9.927 4.940 -16.147 1.00 0.00 C ATOM 1141 CG1 VAL A 82 10.558 6.219 -16.699 1.00 0.00 C ATOM 1142 CG2 VAL A 82 10.355 3.719 -16.963 1.00 0.00 C ATOM 0 H VAL A 82 8.477 3.727 -14.303 1.00 0.00 H new ATOM 0 HA VAL A 82 11.329 4.516 -14.617 1.00 0.00 H new ATOM 0 HB VAL A 82 8.845 5.038 -16.233 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.301 6.326 -17.753 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.182 7.079 -16.144 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.642 6.165 -16.594 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.102 3.875 -18.012 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.431 3.576 -16.866 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.837 2.834 -16.593 1.00 0.00 H new ATOM 1152 N ILE A 83 11.077 6.395 -13.097 1.00 0.00 N ATOM 1153 CA ILE A 83 11.008 7.582 -12.260 1.00 0.00 C ATOM 1154 C ILE A 83 10.323 8.709 -13.036 1.00 0.00 C ATOM 1155 O ILE A 83 10.441 8.786 -14.258 1.00 0.00 O ATOM 1156 CB ILE A 83 12.398 7.951 -11.738 1.00 0.00 C ATOM 1157 CG1 ILE A 83 12.980 6.822 -10.885 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.365 9.281 -10.983 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.506 6.785 -10.991 1.00 0.00 C ATOM 0 H ILE A 83 11.966 5.896 -13.057 1.00 0.00 H new ATOM 0 HA ILE A 83 10.401 7.389 -11.375 1.00 0.00 H new ATOM 0 HB ILE A 83 13.060 8.083 -12.593 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.688 6.960 -9.844 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.566 5.867 -11.208 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.366 9.520 -10.623 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.022 10.071 -11.652 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.684 9.202 -10.136 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.894 5.974 -10.375 1.00 0.00 H new ATOM 0 HD12 ILE A 83 14.795 6.622 -12.029 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.918 7.733 -10.644 1.00 0.00 H new ATOM 1170 N GLY A 84 9.624 9.556 -12.295 1.00 0.00 N ATOM 1171 CA GLY A 84 8.921 10.674 -12.898 1.00 0.00 C ATOM 1172 C GLY A 84 7.628 10.211 -13.572 1.00 0.00 C ATOM 1173 O GLY A 84 7.398 10.500 -14.746 1.00 0.00 O ATOM 0 H GLY A 84 9.530 9.490 -11.282 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.691 11.418 -12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.564 11.159 -13.632 1.00 0.00 H new ATOM 1177 N ASN A 85 6.819 9.499 -12.802 1.00 0.00 N ATOM 1178 CA ASN A 85 5.556 8.993 -13.311 1.00 0.00 C ATOM 1179 C ASN A 85 4.785 8.320 -12.172 1.00 0.00 C ATOM 1180 O ASN A 85 5.359 8.009 -11.129 1.00 0.00 O ATOM 1181 CB ASN A 85 5.781 7.950 -14.408 1.00 0.00 C ATOM 1182 CG ASN A 85 5.676 8.584 -15.796 1.00 0.00 C ATOM 1183 OD1 ASN A 85 4.686 9.202 -16.150 1.00 0.00 O ATOM 1184 ND2 ASN A 85 6.749 8.396 -16.559 1.00 0.00 N ATOM 0 H ASN A 85 7.013 9.260 -11.830 1.00 0.00 H new ATOM 0 HA ASN A 85 4.998 9.834 -13.722 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.764 7.494 -14.286 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.045 7.152 -14.312 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.777 8.780 -17.504 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.544 7.868 -16.200 1.00 0.00 H new ATOM 1190 N GLU A 86 3.498 8.117 -12.410 1.00 0.00 N ATOM 1191 CA GLU A 86 2.644 7.488 -11.418 1.00 0.00 C ATOM 1192 C GLU A 86 2.023 6.209 -11.986 1.00 0.00 C ATOM 1193 O GLU A 86 1.642 6.166 -13.154 1.00 0.00 O ATOM 1194 CB GLU A 86 1.561 8.455 -10.934 1.00 0.00 C ATOM 1195 CG GLU A 86 0.514 8.696 -12.025 1.00 0.00 C ATOM 1196 CD GLU A 86 -0.284 9.972 -11.747 1.00 0.00 C ATOM 1197 OE1 GLU A 86 -0.953 10.003 -10.692 1.00 0.00 O ATOM 1198 OE2 GLU A 86 -0.205 10.887 -12.595 1.00 0.00 O ATOM 0 H GLU A 86 3.026 8.377 -13.276 1.00 0.00 H new ATOM 0 HA GLU A 86 3.257 7.220 -10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.078 8.050 -10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.017 9.403 -10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.005 8.774 -12.995 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.163 7.844 -12.079 1.00 0.00 H new ATOM 1203 N TYR A 87 1.940 5.200 -11.131 1.00 0.00 N ATOM 1204 CA TYR A 87 1.373 3.925 -11.532 1.00 0.00 C ATOM 1205 C TYR A 87 0.300 3.466 -10.543 1.00 0.00 C ATOM 1206 O TYR A 87 0.306 3.872 -9.382 1.00 0.00 O ATOM 1207 CB TYR A 87 2.530 2.923 -11.511 1.00 0.00 C ATOM 1208 CG TYR A 87 3.749 3.365 -12.322 1.00 0.00 C ATOM 1209 CD1 TYR A 87 4.662 4.242 -11.773 1.00 0.00 C ATOM 1210 CD2 TYR A 87 3.938 2.884 -13.602 1.00 0.00 C ATOM 1211 CE1 TYR A 87 5.811 4.658 -12.536 1.00 0.00 C ATOM 1212 CE2 TYR A 87 5.086 3.300 -14.366 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.966 4.166 -13.795 1.00 0.00 C ATOM 1214 OH TYR A 87 7.050 4.559 -14.515 1.00 0.00 O ATOM 0 H TYR A 87 2.256 5.240 -10.162 1.00 0.00 H new ATOM 0 HA TYR A 87 0.906 4.005 -12.514 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.835 2.757 -10.478 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.176 1.967 -11.897 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.515 4.617 -10.771 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.225 2.196 -14.031 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.533 5.344 -12.118 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.244 2.933 -15.369 1.00 0.00 H new ATOM 0 HH TYR A 87 7.519 5.274 -14.037 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.597 2.627 -11.040 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.675 2.109 -10.213 1.00 0.00 C ATOM 1225 C TYR A 88 -1.477 0.620 -9.924 1.00 0.00 C ATOM 1226 O TYR A 88 -0.557 -0.002 -10.453 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.956 2.293 -11.029 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.498 3.723 -11.024 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.941 4.290 -9.846 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.544 4.448 -12.198 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.450 5.636 -9.840 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -4.053 5.795 -12.193 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.481 6.322 -11.015 1.00 0.00 C ATOM 1234 OH TYR A 88 -4.963 7.595 -11.010 1.00 0.00 O ATOM 0 H TYR A 88 -0.600 2.293 -12.004 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.710 2.630 -9.256 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.765 1.992 -12.059 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.722 1.624 -10.638 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.906 3.723 -8.928 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.198 4.005 -13.120 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.799 6.091 -8.925 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.094 6.373 -13.104 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.924 7.963 -11.917 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.358 0.090 -9.088 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.291 -1.315 -8.722 1.00 0.00 C ATOM 1245 C PHE A 89 -3.636 -1.804 -8.181 1.00 0.00 C ATOM 1246 O PHE A 89 -4.330 -1.072 -7.478 1.00 0.00 O ATOM 1247 CB PHE A 89 -1.236 -1.442 -7.621 1.00 0.00 C ATOM 1248 CG PHE A 89 0.111 -0.808 -7.975 1.00 0.00 C ATOM 1249 CD1 PHE A 89 0.919 -1.398 -8.896 1.00 0.00 C ATOM 1250 CD2 PHE A 89 0.501 0.345 -7.368 1.00 0.00 C ATOM 1251 CE1 PHE A 89 2.169 -0.811 -9.224 1.00 0.00 C ATOM 1252 CE2 PHE A 89 1.751 0.932 -7.695 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.559 0.342 -8.617 1.00 0.00 C ATOM 0 H PHE A 89 -3.122 0.608 -8.654 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.040 -1.915 -9.596 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.617 -0.978 -6.711 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.082 -2.498 -7.399 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.609 -2.314 -9.378 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.141 0.814 -6.637 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.810 -1.280 -9.956 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.061 1.847 -7.212 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.510 0.789 -8.867 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.964 -3.039 -8.532 1.00 0.00 N ATOM 1263 CA ARG A 90 -5.213 -3.636 -8.091 1.00 0.00 C ATOM 1264 C ARG A 90 -5.008 -5.116 -7.763 1.00 0.00 C ATOM 1265 O ARG A 90 -4.596 -5.895 -8.620 1.00 0.00 O ATOM 1266 CB ARG A 90 -6.296 -3.504 -9.164 1.00 0.00 C ATOM 1267 CG ARG A 90 -5.814 -4.070 -10.501 1.00 0.00 C ATOM 1268 CD ARG A 90 -6.876 -4.977 -11.128 1.00 0.00 C ATOM 1269 NE ARG A 90 -7.159 -4.542 -12.513 1.00 0.00 N ATOM 1270 CZ ARG A 90 -6.477 -4.964 -13.587 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -5.470 -5.835 -13.442 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -6.805 -4.516 -14.808 1.00 0.00 N ATOM 0 H ARG A 90 -3.386 -3.643 -9.117 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.537 -3.104 -7.197 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.195 -4.031 -8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.567 -2.455 -9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.580 -3.252 -11.183 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.893 -4.633 -10.351 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.530 -6.011 -11.126 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.790 -4.945 -10.534 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.921 -3.880 -12.660 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.222 -6.178 -12.514 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.951 -6.156 -14.260 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.573 -3.854 -14.919 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.286 -4.837 -15.625 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.307 -5.460 -6.518 1.00 0.00 N ATOM 1284 CA VAL A 91 -5.159 -6.833 -6.066 1.00 0.00 C ATOM 1285 C VAL A 91 -6.515 -7.539 -6.144 1.00 0.00 C ATOM 1286 O VAL A 91 -7.526 -7.001 -5.694 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.552 -6.860 -4.662 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.481 -8.289 -4.123 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.173 -6.199 -4.649 1.00 0.00 C ATOM 0 H VAL A 91 -5.651 -4.812 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.471 -7.376 -6.713 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.204 -6.287 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.046 -8.280 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.485 -8.711 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.862 -8.896 -4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.763 -6.231 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.507 -6.732 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.264 -5.161 -4.971 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.493 -8.732 -6.718 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.707 -9.518 -6.861 1.00 0.00 C ATOM 1301 C PHE A 92 -7.750 -10.653 -5.836 1.00 0.00 C ATOM 1302 O PHE A 92 -6.906 -10.722 -4.946 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.690 -10.116 -8.269 1.00 0.00 C ATOM 1304 CG PHE A 92 -8.117 -9.140 -9.366 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -9.313 -8.498 -9.278 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -7.301 -8.913 -10.430 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -9.710 -7.592 -10.296 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -7.698 -8.007 -11.449 1.00 0.00 C ATOM 1309 CZ PHE A 92 -8.894 -7.365 -11.360 1.00 0.00 C ATOM 0 H PHE A 92 -5.653 -9.174 -7.090 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.580 -8.886 -6.699 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.684 -10.475 -8.488 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.350 -10.983 -8.292 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.961 -8.678 -8.433 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.351 -9.422 -10.500 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.660 -7.083 -10.226 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.050 -7.828 -12.295 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.195 -6.675 -12.134 1.00 0.00 H new ATOM 1318 N SER A 93 -8.743 -11.516 -5.998 1.00 0.00 N ATOM 1319 CA SER A 93 -8.907 -12.645 -5.098 1.00 0.00 C ATOM 1320 C SER A 93 -9.062 -13.937 -5.904 1.00 0.00 C ATOM 1321 O SER A 93 -10.156 -14.255 -6.368 1.00 0.00 O ATOM 1322 CB SER A 93 -10.111 -12.445 -4.177 1.00 0.00 C ATOM 1323 OG SER A 93 -9.932 -11.340 -3.295 1.00 0.00 O ATOM 0 H SER A 93 -9.442 -11.456 -6.739 1.00 0.00 H new ATOM 0 HA SER A 93 -8.016 -12.718 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.006 -12.287 -4.779 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.276 -13.351 -3.594 1.00 0.00 H new ATOM 0 HG SER A 93 -10.728 -10.768 -3.321 1.00 0.00 H new ATOM 1328 N GLU A 94 -7.952 -14.647 -6.043 1.00 0.00 N ATOM 1329 CA GLU A 94 -7.951 -15.896 -6.784 1.00 0.00 C ATOM 1330 C GLU A 94 -8.682 -16.983 -5.992 1.00 0.00 C ATOM 1331 O GLU A 94 -8.800 -16.892 -4.770 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.525 -16.331 -7.125 1.00 0.00 C ATOM 1333 CG GLU A 94 -6.109 -15.813 -8.502 1.00 0.00 C ATOM 1334 CD GLU A 94 -4.625 -16.080 -8.764 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -3.814 -15.661 -7.909 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -4.335 -16.696 -9.811 1.00 0.00 O ATOM 0 H GLU A 94 -7.047 -14.381 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.481 -15.739 -7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.836 -15.956 -6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.458 -17.419 -7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.710 -16.295 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.306 -14.743 -8.567 1.00 0.00 H new ATOM 1341 N ASN A 95 -9.153 -17.986 -6.719 1.00 0.00 N ATOM 1342 CA ASN A 95 -9.867 -19.089 -6.099 1.00 0.00 C ATOM 1343 C ASN A 95 -10.443 -19.995 -7.189 1.00 0.00 C ATOM 1344 O ASN A 95 -10.186 -19.785 -8.374 1.00 0.00 O ATOM 1345 CB ASN A 95 -11.030 -18.580 -5.244 1.00 0.00 C ATOM 1346 CG ASN A 95 -11.901 -17.599 -6.032 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -11.465 -16.960 -6.975 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -13.154 -17.516 -5.593 1.00 0.00 N ATOM 0 H ASN A 95 -9.054 -18.058 -7.732 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.165 -19.633 -5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -11.636 -19.422 -4.909 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.642 -18.091 -4.350 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.815 -16.889 -6.052 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -13.454 -18.080 -4.798 1.00 0.00 H new ATOM 1354 N MET A 96 -11.209 -20.981 -6.750 1.00 0.00 N ATOM 1355 CA MET A 96 -11.823 -21.920 -7.674 1.00 0.00 C ATOM 1356 C MET A 96 -12.499 -21.186 -8.833 1.00 0.00 C ATOM 1357 O MET A 96 -12.364 -21.586 -9.989 1.00 0.00 O ATOM 1358 CB MET A 96 -12.860 -22.764 -6.930 1.00 0.00 C ATOM 1359 CG MET A 96 -12.211 -23.547 -5.787 1.00 0.00 C ATOM 1360 SD MET A 96 -10.868 -24.542 -6.412 1.00 0.00 S ATOM 1361 CE MET A 96 -11.183 -26.069 -5.543 1.00 0.00 C ATOM 0 H MET A 96 -11.419 -21.151 -5.766 1.00 0.00 H new ATOM 0 HA MET A 96 -11.043 -22.563 -8.082 1.00 0.00 H new ATOM 0 HB2 MET A 96 -13.644 -22.118 -6.534 1.00 0.00 H new ATOM 0 HB3 MET A 96 -13.337 -23.455 -7.624 1.00 0.00 H new ATOM 0 HG2 MET A 96 -11.841 -22.858 -5.028 1.00 0.00 H new ATOM 0 HG3 MET A 96 -12.953 -24.184 -5.305 1.00 0.00 H new ATOM 0 HE1 MET A 96 -10.430 -26.807 -5.820 1.00 0.00 H new ATOM 0 HE2 MET A 96 -11.140 -25.892 -4.468 1.00 0.00 H new ATOM 0 HE3 MET A 96 -12.172 -26.442 -5.810 1.00 0.00 H new ATOM 1369 N CYS A 97 -13.212 -20.125 -8.484 1.00 0.00 N ATOM 1370 CA CYS A 97 -13.909 -19.331 -9.483 1.00 0.00 C ATOM 1371 C CYS A 97 -12.869 -18.715 -10.419 1.00 0.00 C ATOM 1372 O CYS A 97 -12.684 -19.185 -11.541 1.00 0.00 O ATOM 1373 CB CYS A 97 -14.797 -18.266 -8.837 1.00 0.00 C ATOM 1374 SG CYS A 97 -16.531 -18.479 -9.385 1.00 0.00 S ATOM 0 H CYS A 97 -13.322 -19.797 -7.525 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.579 -19.971 -10.058 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.738 -18.342 -7.751 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.441 -17.272 -9.107 1.00 0.00 H new ATOM 0 HG CYS A 97 -17.277 -17.571 -8.829 1.00 0.00 H new ATOM 1379 N GLY A 98 -12.215 -17.674 -9.925 1.00 0.00 N ATOM 1380 CA GLY A 98 -11.198 -16.989 -10.705 1.00 0.00 C ATOM 1381 C GLY A 98 -10.782 -15.680 -10.032 1.00 0.00 C ATOM 1382 O GLY A 98 -10.375 -15.675 -8.872 1.00 0.00 O ATOM 0 H GLY A 98 -12.370 -17.288 -8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.328 -17.635 -10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.579 -16.783 -11.705 1.00 0.00 H new ATOM 1386 N LEU A 99 -10.900 -14.599 -10.791 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.540 -13.286 -10.284 1.00 0.00 C ATOM 1388 C LEU A 99 -11.804 -12.565 -9.810 1.00 0.00 C ATOM 1389 O LEU A 99 -12.789 -12.483 -10.542 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.744 -12.506 -11.332 1.00 0.00 C ATOM 1391 CG LEU A 99 -8.351 -13.049 -11.657 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -7.421 -12.931 -10.447 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -8.429 -14.484 -12.181 1.00 0.00 C ATOM 0 H LEU A 99 -11.240 -14.606 -11.753 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.881 -13.378 -9.421 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.325 -12.477 -12.254 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.640 -11.477 -10.989 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.924 -12.439 -12.453 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.437 -13.324 -10.704 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.330 -11.884 -10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.833 -13.501 -9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.425 -14.845 -12.404 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.885 -15.123 -11.425 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.033 -14.508 -13.088 1.00 0.00 H new ATOM 1404 N SER A 100 -11.734 -12.060 -8.586 1.00 0.00 N ATOM 1405 CA SER A 100 -12.860 -11.348 -8.005 1.00 0.00 C ATOM 1406 C SER A 100 -13.451 -10.378 -9.030 1.00 0.00 C ATOM 1407 O SER A 100 -12.728 -9.836 -9.866 1.00 0.00 O ATOM 1408 CB SER A 100 -12.442 -10.596 -6.740 1.00 0.00 C ATOM 1409 OG SER A 100 -11.224 -9.881 -6.922 1.00 0.00 O ATOM 0 H SER A 100 -10.915 -12.130 -7.981 1.00 0.00 H new ATOM 0 HA SER A 100 -13.620 -12.078 -7.726 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.231 -9.901 -6.454 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.328 -11.304 -5.919 1.00 0.00 H new ATOM 0 HG SER A 100 -11.369 -8.932 -6.726 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.758 -10.187 -8.931 1.00 0.00 N ATOM 1415 CA GLU A 101 -15.454 -9.291 -9.840 1.00 0.00 C ATOM 1416 C GLU A 101 -14.623 -8.029 -10.079 1.00 0.00 C ATOM 1417 O GLU A 101 -14.708 -7.419 -11.145 1.00 0.00 O ATOM 1418 CB GLU A 101 -16.844 -8.940 -9.305 1.00 0.00 C ATOM 1419 CG GLU A 101 -17.939 -9.473 -10.232 1.00 0.00 C ATOM 1420 CD GLU A 101 -18.972 -8.388 -10.540 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -19.559 -7.871 -9.565 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -19.152 -8.101 -11.743 1.00 0.00 O ATOM 0 H GLU A 101 -15.354 -10.637 -8.236 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.586 -9.801 -10.794 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.971 -9.361 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.938 -7.858 -9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -17.493 -9.829 -11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -18.431 -10.327 -9.766 1.00 0.00 H new ATOM 1427 N ASP A 102 -13.840 -7.674 -9.072 1.00 0.00 N ATOM 1428 CA ASP A 102 -12.995 -6.495 -9.160 1.00 0.00 C ATOM 1429 C ASP A 102 -11.916 -6.564 -8.077 1.00 0.00 C ATOM 1430 O ASP A 102 -11.955 -7.437 -7.212 1.00 0.00 O ATOM 1431 CB ASP A 102 -13.807 -5.217 -8.938 1.00 0.00 C ATOM 1432 CG ASP A 102 -13.023 -3.915 -9.113 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -12.874 -3.495 -10.280 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -12.592 -3.368 -8.074 1.00 0.00 O ATOM 0 H ASP A 102 -13.773 -8.182 -8.190 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.551 -6.472 -10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.648 -5.213 -9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.224 -5.240 -7.931 1.00 0.00 H new ATOM 1438 N ALA A 103 -10.979 -5.631 -8.160 1.00 0.00 N ATOM 1439 CA ALA A 103 -9.892 -5.575 -7.197 1.00 0.00 C ATOM 1440 C ALA A 103 -9.843 -4.179 -6.570 1.00 0.00 C ATOM 1441 O ALA A 103 -10.155 -3.188 -7.228 1.00 0.00 O ATOM 1442 CB ALA A 103 -8.579 -5.950 -7.887 1.00 0.00 C ATOM 0 H ALA A 103 -10.950 -4.908 -8.879 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.054 -6.292 -6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.764 -5.908 -7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.655 -6.960 -8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.381 -5.250 -8.698 1.00 0.00 H new ATOM 1448 N THR A 104 -9.450 -4.148 -5.305 1.00 0.00 N ATOM 1449 CA THR A 104 -9.356 -2.891 -4.582 1.00 0.00 C ATOM 1450 C THR A 104 -8.133 -2.099 -5.045 1.00 0.00 C ATOM 1451 O THR A 104 -7.003 -2.430 -4.690 1.00 0.00 O ATOM 1452 CB THR A 104 -9.344 -3.206 -3.085 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.724 -3.259 -2.730 1.00 0.00 O ATOM 1454 CG2 THR A 104 -8.787 -2.054 -2.248 1.00 0.00 C ATOM 0 H THR A 104 -9.193 -4.973 -4.762 1.00 0.00 H new ATOM 0 HA THR A 104 -10.215 -2.252 -4.788 1.00 0.00 H new ATOM 0 HB THR A 104 -8.750 -4.102 -2.908 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.809 -3.460 -1.775 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.801 -2.330 -1.194 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.762 -1.844 -2.554 1.00 0.00 H new ATOM 0 HG23 THR A 104 -9.400 -1.165 -2.398 1.00 0.00 H new ATOM 1462 N MET A 105 -8.399 -1.068 -5.833 1.00 0.00 N ATOM 1463 CA MET A 105 -7.334 -0.225 -6.351 1.00 0.00 C ATOM 1464 C MET A 105 -6.898 0.807 -5.308 1.00 0.00 C ATOM 1465 O MET A 105 -7.734 1.388 -4.618 1.00 0.00 O ATOM 1466 CB MET A 105 -7.817 0.493 -7.611 1.00 0.00 C ATOM 1467 CG MET A 105 -6.653 0.764 -8.567 1.00 0.00 C ATOM 1468 SD MET A 105 -7.278 1.266 -10.163 1.00 0.00 S ATOM 1469 CE MET A 105 -6.777 2.979 -10.167 1.00 0.00 C ATOM 0 H MET A 105 -9.338 -0.797 -6.126 1.00 0.00 H new ATOM 0 HA MET A 105 -6.479 -0.857 -6.590 1.00 0.00 H new ATOM 0 HB2 MET A 105 -8.571 -0.113 -8.113 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.294 1.434 -7.337 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.009 1.543 -8.158 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.042 -0.132 -8.672 1.00 0.00 H new ATOM 0 HE1 MET A 105 -7.661 3.617 -10.187 1.00 0.00 H new ATOM 0 HE2 MET A 105 -6.197 3.191 -9.268 1.00 0.00 H new ATOM 0 HE3 MET A 105 -6.166 3.177 -11.048 1.00 0.00 H new ATOM 1477 N THR A 106 -5.590 1.005 -5.229 1.00 0.00 N ATOM 1478 CA THR A 106 -5.033 1.958 -4.284 1.00 0.00 C ATOM 1479 C THR A 106 -5.741 3.308 -4.408 1.00 0.00 C ATOM 1480 O THR A 106 -5.751 3.913 -5.478 1.00 0.00 O ATOM 1481 CB THR A 106 -3.525 2.039 -4.527 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.408 2.196 -5.938 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.814 0.714 -4.241 1.00 0.00 C ATOM 0 H THR A 106 -4.900 0.522 -5.804 1.00 0.00 H new ATOM 0 HA THR A 106 -5.194 1.635 -3.256 1.00 0.00 H new ATOM 0 HB THR A 106 -3.099 2.823 -3.901 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.249 3.139 -6.150 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.746 0.826 -4.429 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.972 0.434 -3.199 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.217 -0.063 -4.891 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.318 3.742 -3.296 1.00 0.00 N ATOM 1492 CA LYS A 107 -7.027 5.010 -3.267 1.00 0.00 C ATOM 1493 C LYS A 107 -6.245 6.045 -4.077 1.00 0.00 C ATOM 1494 O LYS A 107 -6.836 6.923 -4.704 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.302 5.437 -1.824 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.804 5.484 -1.541 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.333 6.917 -1.622 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.826 6.971 -1.291 1.00 0.00 C ATOM 1499 NZ LYS A 107 -11.627 7.102 -2.529 1.00 0.00 N ATOM 0 H LYS A 107 -6.309 3.238 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.005 4.911 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.821 4.740 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.864 6.418 -1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.333 4.856 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.004 5.074 -0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.780 7.552 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.164 7.314 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.119 6.068 -0.755 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.028 7.814 -0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.638 7.137 -2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.359 7.976 -3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.448 6.285 -3.147 1.00 0.00 H new ATOM 1509 N GLU A 108 -4.928 5.910 -4.036 1.00 0.00 N ATOM 1510 CA GLU A 108 -4.058 6.823 -4.759 1.00 0.00 C ATOM 1511 C GLU A 108 -3.023 6.041 -5.570 1.00 0.00 C ATOM 1512 O GLU A 108 -3.026 4.811 -5.565 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.379 7.804 -3.802 1.00 0.00 C ATOM 1514 CG GLU A 108 -2.573 7.061 -2.735 1.00 0.00 C ATOM 1515 CD GLU A 108 -1.839 8.043 -1.819 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -2.539 8.717 -1.033 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -0.595 8.096 -1.925 1.00 0.00 O ATOM 0 H GLU A 108 -4.441 5.182 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.667 7.404 -5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.721 8.468 -4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.132 8.431 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.239 6.434 -2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.853 6.398 -3.214 1.00 0.00 H new ATOM 1522 N SER A 109 -2.163 6.787 -6.246 1.00 0.00 N ATOM 1523 CA SER A 109 -1.124 6.179 -7.061 1.00 0.00 C ATOM 1524 C SER A 109 0.239 6.361 -6.391 1.00 0.00 C ATOM 1525 O SER A 109 0.381 7.169 -5.474 1.00 0.00 O ATOM 1526 CB SER A 109 -1.108 6.775 -8.470 1.00 0.00 C ATOM 1527 OG SER A 109 -0.727 8.148 -8.463 1.00 0.00 O ATOM 0 H SER A 109 -2.164 7.807 -6.247 1.00 0.00 H new ATOM 0 HA SER A 109 -1.339 5.114 -7.150 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.417 6.210 -9.095 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.097 6.675 -8.917 1.00 0.00 H new ATOM 0 HG SER A 109 -0.907 8.542 -9.342 1.00 0.00 H new ATOM 1532 N ALA A 110 1.207 5.597 -6.875 1.00 0.00 N ATOM 1533 CA ALA A 110 2.554 5.665 -6.335 1.00 0.00 C ATOM 1534 C ALA A 110 3.409 6.576 -7.219 1.00 0.00 C ATOM 1535 O ALA A 110 3.639 6.273 -8.389 1.00 0.00 O ATOM 1536 CB ALA A 110 3.132 4.252 -6.224 1.00 0.00 C ATOM 0 H ALA A 110 1.085 4.928 -7.635 1.00 0.00 H new ATOM 0 HA ALA A 110 2.544 6.093 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.143 4.303 -5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.506 3.654 -5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.160 3.792 -7.212 1.00 0.00 H new ATOM 1542 N VAL A 111 3.856 7.673 -6.625 1.00 0.00 N ATOM 1543 CA VAL A 111 4.679 8.631 -7.345 1.00 0.00 C ATOM 1544 C VAL A 111 6.152 8.371 -7.023 1.00 0.00 C ATOM 1545 O VAL A 111 6.553 8.407 -5.860 1.00 0.00 O ATOM 1546 CB VAL A 111 4.236 10.057 -7.012 1.00 0.00 C ATOM 1547 CG1 VAL A 111 5.141 11.085 -7.692 1.00 0.00 C ATOM 1548 CG2 VAL A 111 2.771 10.278 -7.393 1.00 0.00 C ATOM 0 H VAL A 111 3.664 7.920 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 111 4.554 8.511 -8.421 1.00 0.00 H new ATOM 0 HB VAL A 111 4.326 10.193 -5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.804 12.090 -7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.167 10.949 -7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.098 10.949 -8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.481 11.299 -7.146 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.645 10.114 -8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.142 9.579 -6.842 1.00 0.00 H new ATOM 1558 N ILE A 112 6.919 8.118 -8.073 1.00 0.00 N ATOM 1559 CA ILE A 112 8.339 7.854 -7.917 1.00 0.00 C ATOM 1560 C ILE A 112 9.070 9.168 -7.634 1.00 0.00 C ATOM 1561 O ILE A 112 8.768 10.194 -8.243 1.00 0.00 O ATOM 1562 CB ILE A 112 8.880 7.099 -9.132 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.997 5.897 -9.469 1.00 0.00 C ATOM 1564 CG2 ILE A 112 10.342 6.695 -8.921 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.953 4.905 -8.303 1.00 0.00 C ATOM 0 H ILE A 112 6.584 8.090 -9.036 1.00 0.00 H new ATOM 0 HA ILE A 112 8.513 7.201 -7.062 1.00 0.00 H new ATOM 0 HB ILE A 112 8.852 7.770 -9.991 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.987 6.236 -9.701 1.00 0.00 H new ATOM 0 HG13 ILE A 112 8.379 5.399 -10.361 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.702 6.160 -9.800 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.948 7.588 -8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.418 6.049 -8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.318 4.059 -8.568 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.961 4.549 -8.090 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.548 5.399 -7.420 1.00 0.00 H new ATOM 1576 N ALA A 113 10.016 9.095 -6.711 1.00 0.00 N ATOM 1577 CA ALA A 113 10.793 10.267 -6.340 1.00 0.00 C ATOM 1578 C ALA A 113 12.278 9.901 -6.316 1.00 0.00 C ATOM 1579 O ALA A 113 13.109 10.696 -5.876 1.00 0.00 O ATOM 1580 CB ALA A 113 10.301 10.799 -4.992 1.00 0.00 C ATOM 0 H ALA A 113 10.263 8.243 -6.208 1.00 0.00 H new ATOM 0 HA ALA A 113 10.662 11.064 -7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.883 11.677 -4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.248 11.071 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.421 10.028 -4.231 1.00 0.00 H new