USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=22 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 74 THR OG1 : rot 180:sc= 0.0463 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 105 MET CE :methyl -122:sc= -0.655 (180deg=-3.2!) USER MOD Single : A 22 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.32 K(o=-1.3,f=-1.9!) USER MOD Single : A 37 THR OG1 : rot 8:sc= -0.997! USER MOD Single : A 39 THR OG1 : rot -177:sc= -3.12! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0596 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.232 USER MOD Single : A 55 GLN : amide:sc= -0.0978 K(o=-0.098,f=-3.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 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 50:sc= 0.397 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -2.79! C(o=-4.4!,f=-2.8!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.00041) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.4) USER MOD Single : A 87 TYR OH : rot 165:sc= 0.467 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 136:sc= 1.07 USER MOD Single : A 95 ASN : amide:sc= -4.71! C(o=-4.7!,f=-6.6!) 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 114:sc= -0.104 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 99:sc= 1.21 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N GLY A 19 -14.819 -12.294 -3.434 1.00 0.00 N ATOM 224 CA GLY A 19 -14.852 -10.859 -3.657 1.00 0.00 C ATOM 225 C GLY A 19 -13.447 -10.259 -3.576 1.00 0.00 C ATOM 226 O GLY A 19 -12.457 -10.990 -3.550 1.00 0.00 O ATOM 0 HA2 GLY A 19 -15.285 -10.649 -4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.496 -10.387 -2.915 1.00 0.00 H new ATOM 230 N PRO A 20 -13.402 -8.900 -3.538 1.00 0.00 N ATOM 231 CA PRO A 20 -12.134 -8.195 -3.461 1.00 0.00 C ATOM 232 C PRO A 20 -11.539 -8.289 -2.054 1.00 0.00 C ATOM 233 O PRO A 20 -12.188 -8.783 -1.134 1.00 0.00 O ATOM 234 CB PRO A 20 -12.452 -6.769 -3.878 1.00 0.00 C ATOM 235 CG PRO A 20 -13.957 -6.614 -3.724 1.00 0.00 C ATOM 236 CD PRO A 20 -14.553 -8.003 -3.567 1.00 0.00 C ATOM 0 HA PRO A 20 -11.372 -8.625 -4.111 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.920 -6.052 -3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.144 -6.585 -4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.191 -5.998 -2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.380 -6.113 -4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.139 -8.081 -2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.221 -8.243 -4.394 1.00 0.00 H new ATOM 241 N PRO A 21 -10.278 -7.794 -1.930 1.00 0.00 N ATOM 242 CA PRO A 21 -9.588 -7.817 -0.651 1.00 0.00 C ATOM 243 C PRO A 21 -10.140 -6.743 0.288 1.00 0.00 C ATOM 244 O PRO A 21 -10.913 -5.882 -0.131 1.00 0.00 O ATOM 245 CB PRO A 21 -8.122 -7.611 -0.992 1.00 0.00 C ATOM 246 CG PRO A 21 -8.099 -7.019 -2.392 1.00 0.00 C ATOM 247 CD PRO A 21 -9.480 -7.202 -2.999 1.00 0.00 C ATOM 0 HA PRO A 21 -9.730 -8.754 -0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.645 -6.941 -0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.577 -8.554 -0.958 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.835 -5.962 -2.355 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.345 -7.514 -3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.899 -6.250 -3.325 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.445 -7.851 -3.874 1.00 0.00 H new ATOM 252 N GLN A 22 -9.723 -6.829 1.544 1.00 0.00 N ATOM 253 CA GLN A 22 -10.166 -5.876 2.546 1.00 0.00 C ATOM 254 C GLN A 22 -9.722 -4.461 2.167 1.00 0.00 C ATOM 255 O GLN A 22 -10.543 -3.550 2.085 1.00 0.00 O ATOM 256 CB GLN A 22 -9.648 -6.259 3.934 1.00 0.00 C ATOM 257 CG GLN A 22 -10.659 -7.139 4.672 1.00 0.00 C ATOM 258 CD GLN A 22 -10.681 -6.811 6.167 1.00 0.00 C ATOM 259 OE1 GLN A 22 -11.725 -6.627 6.772 1.00 0.00 O ATOM 260 NE2 GLN A 22 -9.476 -6.749 6.726 1.00 0.00 N ATOM 0 H GLN A 22 -9.083 -7.544 1.889 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.255 -5.897 2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.700 -6.789 3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.453 -5.358 4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.653 -6.991 4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.405 -8.189 4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.643 -6.914 6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.385 -6.537 7.720 1.00 0.00 H new ATOM 267 N ILE A 23 -8.423 -4.323 1.946 1.00 0.00 N ATOM 268 CA ILE A 23 -7.859 -3.035 1.577 1.00 0.00 C ATOM 269 C ILE A 23 -6.532 -3.253 0.848 1.00 0.00 C ATOM 270 O ILE A 23 -5.841 -4.241 1.092 1.00 0.00 O ATOM 271 CB ILE A 23 -7.744 -2.129 2.805 1.00 0.00 C ATOM 272 CG1 ILE A 23 -7.929 -0.660 2.421 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.424 -2.368 3.540 1.00 0.00 C ATOM 274 CD1 ILE A 23 -7.358 0.264 3.499 1.00 0.00 C ATOM 0 H ILE A 23 -7.745 -5.082 2.015 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.521 -2.514 0.885 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.548 -2.385 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.435 -0.464 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.989 -0.448 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.367 -1.712 4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.372 -3.407 3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.591 -2.156 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.502 1.303 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.871 0.082 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.293 0.066 3.621 1.00 0.00 H new ATOM 285 N VAL A 24 -6.217 -2.315 -0.033 1.00 0.00 N ATOM 286 CA VAL A 24 -4.985 -2.393 -0.800 1.00 0.00 C ATOM 287 C VAL A 24 -4.264 -1.045 -0.737 1.00 0.00 C ATOM 288 O VAL A 24 -4.734 -0.059 -1.303 1.00 0.00 O ATOM 289 CB VAL A 24 -5.287 -2.843 -2.231 1.00 0.00 C ATOM 290 CG1 VAL A 24 -4.004 -2.935 -3.059 1.00 0.00 C ATOM 291 CG2 VAL A 24 -6.042 -4.175 -2.239 1.00 0.00 C ATOM 0 H VAL A 24 -6.793 -1.497 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.316 -3.140 -0.373 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.929 -2.091 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.247 -3.257 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.523 -1.958 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.327 -3.656 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.244 -4.472 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.436 -4.940 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.984 -4.063 -1.702 1.00 0.00 H new ATOM 301 N LYS A 25 -3.135 -1.045 -0.045 1.00 0.00 N ATOM 302 CA LYS A 25 -2.345 0.165 0.099 1.00 0.00 C ATOM 303 C LYS A 25 -0.908 -0.112 -0.346 1.00 0.00 C ATOM 304 O LYS A 25 -0.554 -1.255 -0.635 1.00 0.00 O ATOM 305 CB LYS A 25 -2.453 0.709 1.526 1.00 0.00 C ATOM 306 CG LYS A 25 -2.130 -0.379 2.552 1.00 0.00 C ATOM 307 CD LYS A 25 -1.473 0.220 3.798 1.00 0.00 C ATOM 308 CE LYS A 25 -2.217 -0.202 5.067 1.00 0.00 C ATOM 309 NZ LYS A 25 -1.327 -0.986 5.952 1.00 0.00 N ATOM 0 H LYS A 25 -2.748 -1.865 0.423 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.733 0.952 -0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.769 1.548 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.460 1.090 1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.044 -0.901 2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.465 -1.119 2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.434 -0.104 3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.464 1.307 3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.579 0.681 5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.092 -0.796 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.847 -1.265 6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.002 -1.838 5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.505 -0.407 6.219 1.00 0.00 H new ATOM 319 N ILE A 26 -0.119 0.952 -0.388 1.00 0.00 N ATOM 320 CA ILE A 26 1.272 0.836 -0.794 1.00 0.00 C ATOM 321 C ILE A 26 2.174 1.133 0.405 1.00 0.00 C ATOM 322 O ILE A 26 2.292 2.282 0.829 1.00 0.00 O ATOM 323 CB ILE A 26 1.550 1.723 -2.009 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.934 1.128 -3.276 1.00 0.00 C ATOM 325 CG2 ILE A 26 3.050 1.980 -2.167 1.00 0.00 C ATOM 326 CD1 ILE A 26 0.028 2.144 -3.974 1.00 0.00 C ATOM 0 H ILE A 26 -0.416 1.898 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 26 1.493 -0.182 -1.115 1.00 0.00 H new ATOM 0 HB ILE A 26 1.073 2.689 -1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.725 0.813 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.359 0.237 -3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.221 2.613 -3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.430 2.479 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.570 1.031 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.397 1.696 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.776 2.438 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.611 3.023 -4.249 1.00 0.00 H new ATOM 337 N GLU A 27 2.789 0.078 0.919 1.00 0.00 N ATOM 338 CA GLU A 27 3.678 0.211 2.061 1.00 0.00 C ATOM 339 C GLU A 27 4.565 1.447 1.900 1.00 0.00 C ATOM 340 O GLU A 27 4.704 2.240 2.831 1.00 0.00 O ATOM 341 CB GLU A 27 4.522 -1.050 2.248 1.00 0.00 C ATOM 342 CG GLU A 27 4.399 -1.586 3.676 1.00 0.00 C ATOM 343 CD GLU A 27 5.571 -1.116 4.541 1.00 0.00 C ATOM 344 OE1 GLU A 27 5.727 0.118 4.663 1.00 0.00 O ATOM 345 OE2 GLU A 27 6.284 -2.002 5.059 1.00 0.00 O ATOM 0 H GLU A 27 2.689 -0.873 0.565 1.00 0.00 H new ATOM 0 HA GLU A 27 3.071 0.337 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.202 -1.814 1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.566 -0.829 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.460 -1.249 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.370 -2.675 3.658 1.00 0.00 H new ATOM 350 N ASP A 28 5.142 1.572 0.715 1.00 0.00 N ATOM 351 CA ASP A 28 6.013 2.698 0.421 1.00 0.00 C ATOM 352 C ASP A 28 6.574 2.548 -0.994 1.00 0.00 C ATOM 353 O ASP A 28 6.284 1.569 -1.679 1.00 0.00 O ATOM 354 CB ASP A 28 7.192 2.751 1.395 1.00 0.00 C ATOM 355 CG ASP A 28 7.517 4.142 1.941 1.00 0.00 C ATOM 356 OD1 ASP A 28 6.790 5.085 1.562 1.00 0.00 O ATOM 357 OD2 ASP A 28 8.487 4.232 2.725 1.00 0.00 O ATOM 0 H ASP A 28 5.024 0.912 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 28 5.426 3.612 0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.981 2.088 2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.076 2.358 0.893 1.00 0.00 H new ATOM 361 N VAL A 29 7.366 3.533 -1.390 1.00 0.00 N ATOM 362 CA VAL A 29 7.971 3.524 -2.711 1.00 0.00 C ATOM 363 C VAL A 29 9.333 4.217 -2.649 1.00 0.00 C ATOM 364 O VAL A 29 9.428 5.372 -2.237 1.00 0.00 O ATOM 365 CB VAL A 29 7.021 4.161 -3.726 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.456 5.481 -3.194 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.715 4.367 -5.074 1.00 0.00 C ATOM 0 H VAL A 29 7.603 4.344 -0.818 1.00 0.00 H new ATOM 0 HA VAL A 29 8.143 2.501 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 29 6.187 3.476 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.783 5.914 -3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.908 5.296 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.274 6.174 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.017 4.821 -5.777 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.576 5.022 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.047 3.404 -5.463 1.00 0.00 H new ATOM 377 N TRP A 30 10.355 3.483 -3.065 1.00 0.00 N ATOM 378 CA TRP A 30 11.707 4.013 -3.063 1.00 0.00 C ATOM 379 C TRP A 30 12.321 3.749 -4.439 1.00 0.00 C ATOM 380 O TRP A 30 12.033 2.731 -5.067 1.00 0.00 O ATOM 381 CB TRP A 30 12.528 3.416 -1.918 1.00 0.00 C ATOM 382 CG TRP A 30 12.627 1.889 -1.954 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.670 1.139 -2.336 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.598 0.952 -1.576 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.389 -0.208 -2.233 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.088 -0.325 -1.756 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.294 1.175 -1.099 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.343 -1.479 -1.483 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.562 0.013 -0.830 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.042 -1.280 -1.005 1.00 0.00 C ATOM 0 H TRP A 30 10.273 2.525 -3.406 1.00 0.00 H new ATOM 0 HA TRP A 30 11.699 5.089 -2.886 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.533 3.836 -1.948 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.084 3.719 -0.970 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.612 1.539 -2.681 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.019 -0.976 -2.464 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.889 2.165 -0.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.750 -2.468 -1.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.554 0.129 -0.461 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.414 -2.128 -0.773 1.00 0.00 H new ATOM 400 N GLY A 31 13.156 4.684 -4.868 1.00 0.00 N ATOM 401 CA GLY A 31 13.813 4.567 -6.160 1.00 0.00 C ATOM 402 C GLY A 31 12.851 4.020 -7.216 1.00 0.00 C ATOM 403 O GLY A 31 11.825 4.634 -7.505 1.00 0.00 O ATOM 0 H GLY A 31 13.393 5.526 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.185 5.543 -6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.677 3.909 -6.074 1.00 0.00 H new ATOM 407 N GLU A 32 13.216 2.869 -7.764 1.00 0.00 N ATOM 408 CA GLU A 32 12.398 2.233 -8.782 1.00 0.00 C ATOM 409 C GLU A 32 11.757 0.959 -8.228 1.00 0.00 C ATOM 410 O GLU A 32 11.570 -0.013 -8.957 1.00 0.00 O ATOM 411 CB GLU A 32 13.221 1.931 -10.037 1.00 0.00 C ATOM 412 CG GLU A 32 14.029 3.156 -10.470 1.00 0.00 C ATOM 413 CD GLU A 32 14.678 2.930 -11.837 1.00 0.00 C ATOM 414 OE1 GLU A 32 15.397 1.914 -11.963 1.00 0.00 O ATOM 415 OE2 GLU A 32 14.441 3.776 -12.725 1.00 0.00 O ATOM 0 H GLU A 32 14.067 2.361 -7.522 1.00 0.00 H new ATOM 0 HA GLU A 32 11.603 2.923 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.895 1.097 -9.842 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.558 1.624 -10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.378 4.029 -10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.799 3.369 -9.729 1.00 0.00 H new ATOM 420 N ASN A 33 11.439 1.006 -6.943 1.00 0.00 N ATOM 421 CA ASN A 33 10.823 -0.132 -6.283 1.00 0.00 C ATOM 422 C ASN A 33 9.610 0.344 -5.480 1.00 0.00 C ATOM 423 O ASN A 33 9.705 1.304 -4.717 1.00 0.00 O ATOM 424 CB ASN A 33 11.798 -0.800 -5.312 1.00 0.00 C ATOM 425 CG ASN A 33 13.117 -1.140 -6.008 1.00 0.00 C ATOM 426 OD1 ASN A 33 13.381 -2.273 -6.378 1.00 0.00 O ATOM 427 ND2 ASN A 33 13.929 -0.099 -6.166 1.00 0.00 N ATOM 0 H ASN A 33 11.596 1.814 -6.341 1.00 0.00 H new ATOM 0 HA ASN A 33 10.530 -0.848 -7.051 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.988 -0.137 -4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.350 -1.708 -4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.834 -0.222 -6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.647 0.823 -5.833 1.00 0.00 H new ATOM 433 N VAL A 34 8.498 -0.348 -5.681 1.00 0.00 N ATOM 434 CA VAL A 34 7.269 -0.008 -4.985 1.00 0.00 C ATOM 435 C VAL A 34 6.901 -1.141 -4.025 1.00 0.00 C ATOM 436 O VAL A 34 7.181 -2.306 -4.299 1.00 0.00 O ATOM 437 CB VAL A 34 6.163 0.300 -5.997 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.791 -0.095 -5.448 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.188 1.776 -6.403 1.00 0.00 C ATOM 0 H VAL A 34 8.423 -1.143 -6.316 1.00 0.00 H new ATOM 0 HA VAL A 34 7.406 0.893 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 34 6.350 -0.297 -6.890 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.023 0.135 -6.187 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.779 -1.163 -5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.591 0.462 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.392 1.969 -7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.038 2.399 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.151 2.013 -6.855 1.00 0.00 H new ATOM 449 N ALA A 35 6.278 -0.758 -2.920 1.00 0.00 N ATOM 450 CA ALA A 35 5.869 -1.726 -1.918 1.00 0.00 C ATOM 451 C ALA A 35 4.341 -1.810 -1.889 1.00 0.00 C ATOM 452 O ALA A 35 3.668 -0.822 -1.603 1.00 0.00 O ATOM 453 CB ALA A 35 6.456 -1.336 -0.560 1.00 0.00 C ATOM 0 H ALA A 35 6.047 0.210 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 35 6.250 -2.717 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.149 -2.063 0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.544 -1.319 -0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.094 -0.347 -0.278 1.00 0.00 H new ATOM 459 N LEU A 36 3.840 -2.999 -2.190 1.00 0.00 N ATOM 460 CA LEU A 36 2.405 -3.225 -2.203 1.00 0.00 C ATOM 461 C LEU A 36 1.978 -3.842 -0.870 1.00 0.00 C ATOM 462 O LEU A 36 2.734 -4.598 -0.262 1.00 0.00 O ATOM 463 CB LEU A 36 2.004 -4.057 -3.422 1.00 0.00 C ATOM 464 CG LEU A 36 2.018 -3.327 -4.767 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.900 -4.315 -5.929 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.932 -2.251 -4.817 1.00 0.00 C ATOM 0 H LEU A 36 4.403 -3.816 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 36 1.872 -2.279 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.675 -4.913 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.001 -4.450 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 36 2.978 -2.821 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.912 -3.770 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.738 -5.011 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.965 -4.869 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.963 -1.747 -5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.045 -2.714 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.103 -1.524 -4.023 1.00 0.00 H new ATOM 477 N THR A 37 0.768 -3.497 -0.454 1.00 0.00 N ATOM 478 CA THR A 37 0.232 -4.008 0.796 1.00 0.00 C ATOM 479 C THR A 37 -1.292 -4.125 0.714 1.00 0.00 C ATOM 480 O THR A 37 -1.989 -3.120 0.591 1.00 0.00 O ATOM 481 CB THR A 37 0.712 -3.094 1.925 1.00 0.00 C ATOM 482 OG1 THR A 37 0.852 -1.819 1.304 1.00 0.00 O ATOM 483 CG2 THR A 37 2.127 -3.437 2.395 1.00 0.00 C ATOM 0 H THR A 37 0.144 -2.870 -0.961 1.00 0.00 H new ATOM 0 HA THR A 37 0.593 -5.016 0.999 1.00 0.00 H new ATOM 0 HB THR A 37 0.023 -3.165 2.767 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.487 -1.856 0.395 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.419 -2.759 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.150 -4.463 2.762 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.822 -3.334 1.562 1.00 0.00 H new ATOM 491 N TRP A 38 -1.763 -5.361 0.787 1.00 0.00 N ATOM 492 CA TRP A 38 -3.191 -5.623 0.724 1.00 0.00 C ATOM 493 C TRP A 38 -3.551 -6.562 1.877 1.00 0.00 C ATOM 494 O TRP A 38 -2.716 -7.343 2.331 1.00 0.00 O ATOM 495 CB TRP A 38 -3.585 -6.180 -0.646 1.00 0.00 C ATOM 496 CG TRP A 38 -2.892 -7.496 -1.006 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.344 -8.744 -0.821 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.597 -7.644 -1.625 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.439 -9.682 -1.273 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.342 -8.992 -1.777 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.671 -6.672 -2.042 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.165 -9.490 -2.348 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.501 -7.186 -2.610 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.772 -8.540 -2.770 1.00 0.00 C ATOM 0 H TRP A 38 -1.181 -6.192 0.889 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.758 -4.699 0.838 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.664 -6.332 -0.668 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.352 -5.438 -1.409 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.297 -8.985 -0.374 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.553 -10.695 -1.243 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.850 -5.612 -1.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 0.011 -10.550 -2.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.247 -6.481 -2.947 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.702 -8.858 -3.218 1.00 0.00 H new ATOM 514 N THR A 39 -4.796 -6.453 2.318 1.00 0.00 N ATOM 515 CA THR A 39 -5.278 -7.281 3.410 1.00 0.00 C ATOM 516 C THR A 39 -6.039 -8.491 2.865 1.00 0.00 C ATOM 517 O THR A 39 -6.530 -8.465 1.737 1.00 0.00 O ATOM 518 CB THR A 39 -6.118 -6.401 4.337 1.00 0.00 C ATOM 519 OG1 THR A 39 -6.903 -5.612 3.448 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.272 -5.377 5.097 1.00 0.00 C ATOM 0 H THR A 39 -5.485 -5.804 1.939 1.00 0.00 H new ATOM 0 HA THR A 39 -4.451 -7.691 3.990 1.00 0.00 H new ATOM 0 HB THR A 39 -6.653 -7.030 5.049 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.445 -4.979 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.917 -4.778 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.533 -5.896 5.706 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.763 -4.726 4.386 1.00 0.00 H new ATOM 528 N PRO A 40 -6.117 -9.551 3.714 1.00 0.00 N ATOM 529 CA PRO A 40 -6.811 -10.768 3.330 1.00 0.00 C ATOM 530 C PRO A 40 -8.328 -10.574 3.379 1.00 0.00 C ATOM 531 O PRO A 40 -8.813 -9.592 3.938 1.00 0.00 O ATOM 532 CB PRO A 40 -6.317 -11.828 4.302 1.00 0.00 C ATOM 533 CG PRO A 40 -5.725 -11.068 5.478 1.00 0.00 C ATOM 534 CD PRO A 40 -5.549 -9.619 5.057 1.00 0.00 C ATOM 0 HA PRO A 40 -6.603 -11.062 2.301 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.134 -12.474 4.625 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.570 -12.469 3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.381 -11.136 6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.767 -11.500 5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.064 -8.943 5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.498 -9.332 5.057 1.00 0.00 H new ATOM 539 N PRO A 41 -9.053 -11.549 2.769 1.00 0.00 N ATOM 540 CA PRO A 41 -10.505 -11.495 2.738 1.00 0.00 C ATOM 541 C PRO A 41 -11.097 -11.859 4.101 1.00 0.00 C ATOM 542 O PRO A 41 -10.879 -12.961 4.602 1.00 0.00 O ATOM 543 CB PRO A 41 -10.911 -12.461 1.637 1.00 0.00 C ATOM 544 CG PRO A 41 -9.709 -13.364 1.409 1.00 0.00 C ATOM 545 CD PRO A 41 -8.512 -12.727 2.096 1.00 0.00 C ATOM 0 HA PRO A 41 -10.884 -10.494 2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.786 -13.042 1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.175 -11.925 0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.897 -14.359 1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.518 -13.484 0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.053 -13.413 2.807 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.742 -12.452 1.375 1.00 0.00 H new ATOM 550 N LYS A 42 -11.832 -10.912 4.663 1.00 0.00 N ATOM 551 CA LYS A 42 -12.457 -11.118 5.959 1.00 0.00 C ATOM 552 C LYS A 42 -13.846 -11.727 5.758 1.00 0.00 C ATOM 553 O LYS A 42 -14.511 -12.095 6.725 1.00 0.00 O ATOM 554 CB LYS A 42 -12.467 -9.816 6.763 1.00 0.00 C ATOM 555 CG LYS A 42 -11.289 -9.766 7.738 1.00 0.00 C ATOM 556 CD LYS A 42 -11.732 -9.243 9.106 1.00 0.00 C ATOM 557 CE LYS A 42 -10.781 -8.154 9.610 1.00 0.00 C ATOM 558 NZ LYS A 42 -11.226 -7.648 10.928 1.00 0.00 N ATOM 0 H LYS A 42 -12.009 -9.999 4.245 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.879 -11.827 6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.418 -8.965 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.404 -9.731 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.860 -10.762 7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.506 -9.124 7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.744 -8.844 9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.762 -10.065 9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.770 -8.554 9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.744 -7.334 8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.571 -6.910 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.182 -7.248 10.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.238 -8.430 11.614 1.00 0.00 H new ATOM 630 N ILE A 49 -9.963 -18.617 -0.827 1.00 0.00 N ATOM 631 CA ILE A 49 -8.915 -17.932 -1.563 1.00 0.00 C ATOM 632 C ILE A 49 -7.600 -18.696 -1.401 1.00 0.00 C ATOM 633 O ILE A 49 -7.153 -18.940 -0.280 1.00 0.00 O ATOM 634 CB ILE A 49 -8.830 -16.465 -1.133 1.00 0.00 C ATOM 635 CG1 ILE A 49 -10.167 -15.753 -1.351 1.00 0.00 C ATOM 636 CG2 ILE A 49 -7.678 -15.752 -1.842 1.00 0.00 C ATOM 637 CD1 ILE A 49 -11.029 -15.805 -0.089 1.00 0.00 C ATOM 0 HA ILE A 49 -9.146 -17.916 -2.628 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.618 -16.433 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.989 -14.715 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -10.700 -16.219 -2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.640 -14.712 -1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.738 -16.244 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.834 -15.791 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -11.973 -15.292 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.226 -16.844 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.503 -15.316 0.731 1.00 0.00 H new ATOM 648 N THR A 50 -7.016 -19.053 -2.535 1.00 0.00 N ATOM 649 CA THR A 50 -5.761 -19.784 -2.534 1.00 0.00 C ATOM 650 C THR A 50 -4.578 -18.815 -2.493 1.00 0.00 C ATOM 651 O THR A 50 -3.690 -18.948 -1.651 1.00 0.00 O ATOM 652 CB THR A 50 -5.749 -20.706 -3.755 1.00 0.00 C ATOM 653 OG1 THR A 50 -6.028 -19.837 -4.848 1.00 0.00 O ATOM 654 CG2 THR A 50 -6.918 -21.693 -3.755 1.00 0.00 C ATOM 0 H THR A 50 -7.390 -18.849 -3.462 1.00 0.00 H new ATOM 0 HA THR A 50 -5.665 -20.402 -1.641 1.00 0.00 H new ATOM 0 HB THR A 50 -4.809 -21.257 -3.785 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.038 -20.352 -5.681 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.862 -22.323 -4.643 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.867 -22.317 -2.863 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.859 -21.143 -3.760 1.00 0.00 H new ATOM 662 N GLY A 51 -4.603 -17.861 -3.412 1.00 0.00 N ATOM 663 CA GLY A 51 -3.544 -16.870 -3.492 1.00 0.00 C ATOM 664 C GLY A 51 -4.117 -15.477 -3.757 1.00 0.00 C ATOM 665 O GLY A 51 -5.261 -15.194 -3.406 1.00 0.00 O ATOM 0 H GLY A 51 -5.341 -17.753 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.976 -16.863 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.849 -17.139 -4.287 1.00 0.00 H new ATOM 669 N TYR A 52 -3.294 -14.641 -4.375 1.00 0.00 N ATOM 670 CA TYR A 52 -3.704 -13.284 -4.693 1.00 0.00 C ATOM 671 C TYR A 52 -2.963 -12.761 -5.925 1.00 0.00 C ATOM 672 O TYR A 52 -1.736 -12.672 -5.924 1.00 0.00 O ATOM 673 CB TYR A 52 -3.318 -12.433 -3.480 1.00 0.00 C ATOM 674 CG TYR A 52 -3.809 -12.995 -2.145 1.00 0.00 C ATOM 675 CD1 TYR A 52 -5.141 -12.888 -1.799 1.00 0.00 C ATOM 676 CD2 TYR A 52 -2.920 -13.608 -1.285 1.00 0.00 C ATOM 677 CE1 TYR A 52 -5.603 -13.416 -0.541 1.00 0.00 C ATOM 678 CE2 TYR A 52 -3.382 -14.137 -0.028 1.00 0.00 C ATOM 679 CZ TYR A 52 -4.700 -14.014 0.282 1.00 0.00 C ATOM 680 OH TYR A 52 -5.136 -14.514 1.470 1.00 0.00 O ATOM 0 H TYR A 52 -2.345 -14.878 -4.664 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.772 -13.246 -4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.233 -12.339 -3.446 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.721 -11.429 -3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.837 -12.408 -2.472 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.878 -13.691 -1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.642 -13.339 -0.258 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.697 -14.620 0.653 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.383 -14.913 1.953 1.00 0.00 H new ATOM 689 N THR A 53 -3.739 -12.427 -6.945 1.00 0.00 N ATOM 690 CA THR A 53 -3.172 -11.915 -8.181 1.00 0.00 C ATOM 691 C THR A 53 -3.007 -10.396 -8.103 1.00 0.00 C ATOM 692 O THR A 53 -3.851 -9.705 -7.534 1.00 0.00 O ATOM 693 CB THR A 53 -4.066 -12.371 -9.336 1.00 0.00 C ATOM 694 OG1 THR A 53 -3.823 -13.771 -9.432 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.605 -11.819 -10.687 1.00 0.00 C ATOM 0 H THR A 53 -4.756 -12.501 -6.941 1.00 0.00 H new ATOM 0 HA THR A 53 -2.171 -12.311 -8.351 1.00 0.00 H new ATOM 0 HB THR A 53 -5.092 -12.056 -9.146 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.365 -14.148 -10.156 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.273 -12.173 -11.472 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.622 -10.729 -10.660 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.591 -12.161 -10.893 1.00 0.00 H new ATOM 703 N ILE A 54 -1.913 -9.922 -8.681 1.00 0.00 N ATOM 704 CA ILE A 54 -1.626 -8.497 -8.684 1.00 0.00 C ATOM 705 C ILE A 54 -1.546 -8.000 -10.129 1.00 0.00 C ATOM 706 O ILE A 54 -1.266 -8.777 -11.041 1.00 0.00 O ATOM 707 CB ILE A 54 -0.371 -8.202 -7.861 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.582 -8.565 -6.390 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.069 -6.746 -8.035 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.454 -9.591 -5.924 1.00 0.00 C ATOM 0 H ILE A 54 -1.215 -10.499 -9.150 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.432 -7.945 -8.201 1.00 0.00 H new ATOM 0 HB ILE A 54 0.438 -8.830 -8.235 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.511 -7.667 -5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.585 -8.967 -6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.963 -6.562 -7.439 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.287 -6.555 -9.086 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.730 -6.082 -7.704 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.281 -9.832 -4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.364 -10.497 -6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.455 -9.176 -6.041 1.00 0.00 H new ATOM 721 N GLN A 55 -1.796 -6.710 -10.292 1.00 0.00 N ATOM 722 CA GLN A 55 -1.755 -6.100 -11.610 1.00 0.00 C ATOM 723 C GLN A 55 -1.316 -4.638 -11.506 1.00 0.00 C ATOM 724 O GLN A 55 -1.812 -3.896 -10.658 1.00 0.00 O ATOM 725 CB GLN A 55 -3.111 -6.217 -12.311 1.00 0.00 C ATOM 726 CG GLN A 55 -3.461 -7.681 -12.586 1.00 0.00 C ATOM 727 CD GLN A 55 -4.650 -7.790 -13.543 1.00 0.00 C ATOM 728 OE1 GLN A 55 -5.043 -6.836 -14.196 1.00 0.00 O ATOM 729 NE2 GLN A 55 -5.198 -9.000 -13.589 1.00 0.00 N ATOM 0 H GLN A 55 -2.028 -6.069 -9.533 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.023 -6.636 -12.214 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.885 -5.764 -11.691 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.089 -5.662 -13.249 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.598 -8.191 -13.013 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.697 -8.185 -11.648 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.819 -9.754 -13.016 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.998 -9.175 -14.198 1.00 0.00 H new ATOM 736 N LYS A 56 -0.391 -4.268 -12.378 1.00 0.00 N ATOM 737 CA LYS A 56 0.120 -2.908 -12.395 1.00 0.00 C ATOM 738 C LYS A 56 -0.346 -2.208 -13.674 1.00 0.00 C ATOM 739 O LYS A 56 -0.651 -2.864 -14.669 1.00 0.00 O ATOM 740 CB LYS A 56 1.639 -2.904 -12.211 1.00 0.00 C ATOM 741 CG LYS A 56 2.356 -3.009 -13.559 1.00 0.00 C ATOM 742 CD LYS A 56 3.726 -3.671 -13.401 1.00 0.00 C ATOM 743 CE LYS A 56 4.255 -4.164 -14.749 1.00 0.00 C ATOM 744 NZ LYS A 56 5.622 -3.650 -14.990 1.00 0.00 N ATOM 0 H LYS A 56 0.018 -4.886 -13.078 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.281 -2.340 -11.556 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.945 -1.989 -11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.934 -3.737 -11.573 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.747 -3.586 -14.255 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.476 -2.015 -13.990 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.430 -2.960 -12.968 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.651 -4.508 -12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.262 -5.254 -14.767 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.591 -3.836 -15.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.965 -3.994 -15.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.606 -2.610 -14.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.256 -3.984 -14.236 1.00 0.00 H new ATOM 754 N ALA A 57 -0.387 -0.885 -13.605 1.00 0.00 N ATOM 755 CA ALA A 57 -0.810 -0.089 -14.744 1.00 0.00 C ATOM 756 C ALA A 57 -0.127 1.278 -14.688 1.00 0.00 C ATOM 757 O ALA A 57 0.113 1.812 -13.606 1.00 0.00 O ATOM 758 CB ALA A 57 -2.336 0.021 -14.752 1.00 0.00 C ATOM 0 H ALA A 57 -0.134 -0.345 -12.778 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.513 -0.567 -15.677 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.653 0.618 -15.607 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.772 -0.975 -14.824 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.671 0.498 -13.831 1.00 0.00 H new ATOM 764 N ASP A 58 0.166 1.807 -15.867 1.00 0.00 N ATOM 765 CA ASP A 58 0.816 3.103 -15.965 1.00 0.00 C ATOM 766 C ASP A 58 -0.231 4.171 -16.287 1.00 0.00 C ATOM 767 O ASP A 58 -1.370 3.848 -16.620 1.00 0.00 O ATOM 768 CB ASP A 58 1.860 3.112 -17.083 1.00 0.00 C ATOM 769 CG ASP A 58 3.233 3.653 -16.682 1.00 0.00 C ATOM 770 OD1 ASP A 58 3.329 4.176 -15.551 1.00 0.00 O ATOM 771 OD2 ASP A 58 4.157 3.531 -17.516 1.00 0.00 O ATOM 0 H ASP A 58 -0.035 1.362 -16.762 1.00 0.00 H new ATOM 0 HA ASP A 58 1.305 3.308 -15.013 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.982 2.094 -17.454 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.478 3.710 -17.911 1.00 0.00 H new ATOM 775 N LYS A 59 0.193 5.422 -16.177 1.00 0.00 N ATOM 776 CA LYS A 59 -0.693 6.540 -16.452 1.00 0.00 C ATOM 777 C LYS A 59 -0.558 6.941 -17.923 1.00 0.00 C ATOM 778 O LYS A 59 -0.759 8.103 -18.274 1.00 0.00 O ATOM 779 CB LYS A 59 -0.429 7.686 -15.475 1.00 0.00 C ATOM 780 CG LYS A 59 -1.639 7.925 -14.570 1.00 0.00 C ATOM 781 CD LYS A 59 -2.820 8.479 -15.369 1.00 0.00 C ATOM 782 CE LYS A 59 -2.967 9.987 -15.155 1.00 0.00 C ATOM 783 NZ LYS A 59 -3.873 10.568 -16.171 1.00 0.00 N ATOM 0 H LYS A 59 1.139 5.686 -15.901 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.732 6.251 -16.294 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.445 7.455 -14.866 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.200 8.596 -16.030 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.927 6.991 -14.088 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.372 8.624 -13.777 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.676 8.271 -16.429 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.737 7.974 -15.067 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.358 10.182 -14.156 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.990 10.466 -15.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.962 11.592 -16.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.484 10.398 -17.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.810 10.123 -16.096 1.00 0.00 H new ATOM 793 N LYS A 60 -0.220 5.957 -18.743 1.00 0.00 N ATOM 794 CA LYS A 60 -0.057 6.194 -20.168 1.00 0.00 C ATOM 795 C LYS A 60 -1.313 5.724 -20.906 1.00 0.00 C ATOM 796 O LYS A 60 -1.715 6.328 -21.899 1.00 0.00 O ATOM 797 CB LYS A 60 1.233 5.544 -20.675 1.00 0.00 C ATOM 798 CG LYS A 60 1.172 4.021 -20.532 1.00 0.00 C ATOM 799 CD LYS A 60 0.603 3.375 -21.797 1.00 0.00 C ATOM 800 CE LYS A 60 1.719 2.778 -22.656 1.00 0.00 C ATOM 801 NZ LYS A 60 1.958 3.617 -23.852 1.00 0.00 N ATOM 0 H LYS A 60 -0.055 4.995 -18.449 1.00 0.00 H new ATOM 0 HA LYS A 60 0.050 7.260 -20.367 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.391 5.809 -21.720 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.084 5.932 -20.115 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.171 3.630 -20.337 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.553 3.757 -19.674 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.107 2.595 -21.523 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.053 4.119 -22.374 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.635 2.700 -22.070 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.449 1.767 -22.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.718 3.197 -24.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.087 3.670 -24.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.236 4.574 -23.555 1.00 0.00 H new ATOM 811 N SER A 61 -1.896 4.653 -20.392 1.00 0.00 N ATOM 812 CA SER A 61 -3.098 4.095 -20.989 1.00 0.00 C ATOM 813 C SER A 61 -3.702 3.038 -20.062 1.00 0.00 C ATOM 814 O SER A 61 -4.303 2.070 -20.527 1.00 0.00 O ATOM 815 CB SER A 61 -2.800 3.489 -22.362 1.00 0.00 C ATOM 816 OG SER A 61 -3.182 4.361 -23.423 1.00 0.00 O ATOM 0 H SER A 61 -1.559 4.155 -19.568 1.00 0.00 H new ATOM 0 HA SER A 61 -3.818 4.902 -21.126 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.735 3.269 -22.438 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.329 2.541 -22.463 1.00 0.00 H new ATOM 0 HG SER A 61 -2.814 5.254 -23.261 1.00 0.00 H new ATOM 821 N MET A 62 -3.522 3.260 -18.768 1.00 0.00 N ATOM 822 CA MET A 62 -4.041 2.339 -17.772 1.00 0.00 C ATOM 823 C MET A 62 -3.986 0.895 -18.278 1.00 0.00 C ATOM 824 O MET A 62 -5.004 0.204 -18.305 1.00 0.00 O ATOM 825 CB MET A 62 -5.488 2.708 -17.440 1.00 0.00 C ATOM 826 CG MET A 62 -6.048 1.800 -16.342 1.00 0.00 C ATOM 827 SD MET A 62 -7.382 2.624 -15.490 1.00 0.00 S ATOM 828 CE MET A 62 -6.458 3.501 -14.239 1.00 0.00 C ATOM 0 H MET A 62 -3.024 4.064 -18.387 1.00 0.00 H new ATOM 0 HA MET A 62 -3.423 2.415 -16.878 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.537 3.748 -17.117 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.103 2.623 -18.336 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.405 0.867 -16.777 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.259 1.541 -15.636 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.144 4.072 -13.613 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.913 2.787 -13.622 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.752 4.180 -14.717 1.00 0.00 H new ATOM 836 N GLU A 63 -2.789 0.484 -18.668 1.00 0.00 N ATOM 837 CA GLU A 63 -2.589 -0.864 -19.172 1.00 0.00 C ATOM 838 C GLU A 63 -2.285 -1.823 -18.019 1.00 0.00 C ATOM 839 O GLU A 63 -1.235 -1.724 -17.384 1.00 0.00 O ATOM 840 CB GLU A 63 -1.474 -0.898 -20.220 1.00 0.00 C ATOM 841 CG GLU A 63 -1.412 0.420 -20.995 1.00 0.00 C ATOM 842 CD GLU A 63 -0.509 0.290 -22.224 1.00 0.00 C ATOM 843 OE1 GLU A 63 0.607 -0.247 -22.055 1.00 0.00 O ATOM 844 OE2 GLU A 63 -0.956 0.731 -23.304 1.00 0.00 O ATOM 0 H GLU A 63 -1.948 1.060 -18.645 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.510 -1.189 -19.657 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.517 -1.083 -19.732 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.644 -1.723 -20.911 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.415 0.711 -21.305 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.037 1.211 -20.345 1.00 0.00 H new ATOM 849 N TRP A 64 -3.223 -2.729 -17.782 1.00 0.00 N ATOM 850 CA TRP A 64 -3.069 -3.704 -16.715 1.00 0.00 C ATOM 851 C TRP A 64 -2.409 -4.951 -17.307 1.00 0.00 C ATOM 852 O TRP A 64 -2.968 -5.588 -18.200 1.00 0.00 O ATOM 853 CB TRP A 64 -4.412 -3.999 -16.044 1.00 0.00 C ATOM 854 CG TRP A 64 -5.084 -2.769 -15.429 1.00 0.00 C ATOM 855 CD1 TRP A 64 -6.025 -1.985 -15.972 1.00 0.00 C ATOM 856 CD2 TRP A 64 -4.826 -2.212 -14.123 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.391 -0.966 -15.116 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.638 -1.108 -13.956 1.00 0.00 C ATOM 859 CE3 TRP A 64 -3.935 -2.624 -13.117 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.641 -0.328 -12.794 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -3.949 -1.834 -11.963 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.761 -0.720 -11.778 1.00 0.00 C ATOM 0 H TRP A 64 -4.092 -2.808 -18.310 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.429 -3.313 -15.924 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.085 -4.438 -16.780 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.261 -4.746 -15.264 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.445 -2.132 -16.956 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.086 -0.242 -15.300 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.290 -3.483 -13.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.288 0.530 -12.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.282 -2.108 -11.159 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.713 -0.160 -10.856 1.00 0.00 H new ATOM 872 N PHE A 65 -1.232 -5.263 -16.786 1.00 0.00 N ATOM 873 CA PHE A 65 -0.491 -6.422 -17.253 1.00 0.00 C ATOM 874 C PHE A 65 -0.210 -7.392 -16.103 1.00 0.00 C ATOM 875 O PHE A 65 0.483 -7.043 -15.148 1.00 0.00 O ATOM 876 CB PHE A 65 0.839 -5.911 -17.809 1.00 0.00 C ATOM 877 CG PHE A 65 0.917 -5.914 -19.336 1.00 0.00 C ATOM 878 CD1 PHE A 65 -0.069 -5.331 -20.069 1.00 0.00 C ATOM 879 CD2 PHE A 65 1.973 -6.499 -19.962 1.00 0.00 C ATOM 880 CE1 PHE A 65 0.004 -5.334 -21.487 1.00 0.00 C ATOM 881 CE2 PHE A 65 2.047 -6.503 -21.380 1.00 0.00 C ATOM 882 CZ PHE A 65 1.060 -5.920 -22.113 1.00 0.00 C ATOM 0 H PHE A 65 -0.773 -4.733 -16.045 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.070 -6.953 -18.009 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.005 -4.896 -17.449 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.647 -6.526 -17.413 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.908 -4.866 -19.573 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.756 -6.961 -19.380 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.779 -4.871 -22.069 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.886 -6.968 -21.876 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.115 -5.922 -23.192 1.00 0.00 H new ATOM 891 N THR A 66 -0.762 -8.590 -16.232 1.00 0.00 N ATOM 892 CA THR A 66 -0.579 -9.612 -15.216 1.00 0.00 C ATOM 893 C THR A 66 0.846 -9.564 -14.661 1.00 0.00 C ATOM 894 O THR A 66 1.798 -9.914 -15.356 1.00 0.00 O ATOM 895 CB THR A 66 -0.946 -10.963 -15.833 1.00 0.00 C ATOM 896 OG1 THR A 66 -2.285 -10.786 -16.285 1.00 0.00 O ATOM 897 CG2 THR A 66 -1.049 -12.075 -14.788 1.00 0.00 C ATOM 0 H THR A 66 -1.336 -8.875 -17.025 1.00 0.00 H new ATOM 0 HA THR A 66 -1.233 -9.441 -14.361 1.00 0.00 H new ATOM 0 HB THR A 66 -0.200 -11.235 -16.580 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.602 -11.615 -16.701 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.312 -13.012 -15.279 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.091 -12.187 -14.280 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.818 -11.819 -14.059 1.00 0.00 H new ATOM 905 N VAL A 67 0.948 -9.128 -13.415 1.00 0.00 N ATOM 906 CA VAL A 67 2.240 -9.028 -12.759 1.00 0.00 C ATOM 907 C VAL A 67 2.582 -10.371 -12.109 1.00 0.00 C ATOM 908 O VAL A 67 3.685 -10.886 -12.281 1.00 0.00 O ATOM 909 CB VAL A 67 2.235 -7.868 -11.763 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.352 -8.025 -10.730 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.343 -6.524 -12.487 1.00 0.00 C ATOM 0 H VAL A 67 0.156 -8.839 -12.841 1.00 0.00 H new ATOM 0 HA VAL A 67 3.021 -8.809 -13.487 1.00 0.00 H new ATOM 0 HB VAL A 67 1.284 -7.888 -11.232 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.325 -7.186 -10.034 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.212 -8.956 -10.181 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.317 -8.045 -11.237 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.337 -5.715 -11.756 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.272 -6.491 -13.057 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.497 -6.407 -13.164 1.00 0.00 H new ATOM 921 N ILE A 68 1.612 -10.901 -11.376 1.00 0.00 N ATOM 922 CA ILE A 68 1.796 -12.174 -10.700 1.00 0.00 C ATOM 923 C ILE A 68 0.444 -12.878 -10.572 1.00 0.00 C ATOM 924 O ILE A 68 -0.561 -12.246 -10.254 1.00 0.00 O ATOM 925 CB ILE A 68 2.513 -11.972 -9.363 1.00 0.00 C ATOM 926 CG1 ILE A 68 3.627 -13.004 -9.177 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.520 -11.986 -8.200 1.00 0.00 C ATOM 928 CD1 ILE A 68 5.001 -12.330 -9.152 1.00 0.00 C ATOM 0 H ILE A 68 0.697 -10.472 -11.236 1.00 0.00 H new ATOM 0 HA ILE A 68 2.442 -12.827 -11.287 1.00 0.00 H new ATOM 0 HB ILE A 68 2.983 -10.988 -9.373 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.469 -13.551 -8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.591 -13.733 -9.986 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.056 -11.840 -7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.794 -11.183 -8.332 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.001 -12.944 -8.176 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.775 -13.086 -9.019 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.166 -11.804 -10.093 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.043 -11.619 -8.327 1.00 0.00 H new ATOM 939 N GLU A 69 0.464 -14.179 -10.826 1.00 0.00 N ATOM 940 CA GLU A 69 -0.748 -14.976 -10.744 1.00 0.00 C ATOM 941 C GLU A 69 -0.679 -15.922 -9.543 1.00 0.00 C ATOM 942 O GLU A 69 0.360 -16.525 -9.282 1.00 0.00 O ATOM 943 CB GLU A 69 -0.983 -15.752 -12.041 1.00 0.00 C ATOM 944 CG GLU A 69 -1.369 -14.809 -13.182 1.00 0.00 C ATOM 945 CD GLU A 69 -1.792 -15.596 -14.424 1.00 0.00 C ATOM 946 OE1 GLU A 69 -2.931 -16.110 -14.410 1.00 0.00 O ATOM 947 OE2 GLU A 69 -0.966 -15.664 -15.360 1.00 0.00 O ATOM 0 H GLU A 69 1.300 -14.700 -11.089 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.594 -14.303 -10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.081 -16.302 -12.308 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.772 -16.488 -11.890 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.185 -14.161 -12.863 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.526 -14.163 -13.426 1.00 0.00 H new ATOM 952 N HIS A 70 -1.801 -16.023 -8.846 1.00 0.00 N ATOM 953 CA HIS A 70 -1.882 -16.886 -7.679 1.00 0.00 C ATOM 954 C HIS A 70 -0.590 -16.773 -6.867 1.00 0.00 C ATOM 955 O HIS A 70 0.252 -17.669 -6.907 1.00 0.00 O ATOM 956 CB HIS A 70 -2.202 -18.324 -8.088 1.00 0.00 C ATOM 957 CG HIS A 70 -1.586 -18.740 -9.403 1.00 0.00 C ATOM 958 ND1 HIS A 70 -1.977 -18.497 -10.687 1.00 0.00 N flip ATOM 959 CD2 HIS A 70 -0.430 -19.497 -9.484 1.00 0.00 C flip ATOM 960 CE1 HIS A 70 -1.107 -19.072 -11.507 1.00 0.00 C flip ATOM 961 NE2 HIS A 70 -0.148 -19.694 -10.763 1.00 0.00 N flip ATOM 0 H HIS A 70 -2.662 -15.522 -9.067 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.702 -16.562 -7.038 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.855 -18.999 -7.306 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.284 -18.440 -8.152 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.144 -19.865 -8.647 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.151 -19.051 -12.586 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.647 -20.219 -11.128 1.00 0.00 H new ATOM 968 N TYR A 71 -0.475 -15.665 -6.149 1.00 0.00 N ATOM 969 CA TYR A 71 0.700 -15.424 -5.329 1.00 0.00 C ATOM 970 C TYR A 71 0.562 -16.097 -3.962 1.00 0.00 C ATOM 971 O TYR A 71 -0.307 -16.947 -3.769 1.00 0.00 O ATOM 972 CB TYR A 71 0.773 -13.909 -5.132 1.00 0.00 C ATOM 973 CG TYR A 71 2.192 -13.376 -4.920 1.00 0.00 C ATOM 974 CD1 TYR A 71 3.235 -13.869 -5.678 1.00 0.00 C ATOM 975 CD2 TYR A 71 2.430 -12.404 -3.970 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.570 -13.368 -5.479 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.764 -11.903 -3.771 1.00 0.00 C ATOM 978 CZ TYR A 71 4.769 -12.410 -4.534 1.00 0.00 C ATOM 979 OH TYR A 71 6.030 -11.937 -4.345 1.00 0.00 O ATOM 0 H TYR A 71 -1.176 -14.925 -6.118 1.00 0.00 H new ATOM 0 HA TYR A 71 1.592 -15.827 -5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.338 -13.418 -6.003 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.161 -13.635 -4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.050 -14.631 -6.421 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.615 -12.019 -3.376 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.394 -13.744 -6.066 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.963 -11.141 -3.032 1.00 0.00 H new ATOM 0 HH TYR A 71 6.022 -11.257 -3.640 1.00 0.00 H new ATOM 988 N HIS A 72 1.431 -15.691 -3.048 1.00 0.00 N ATOM 989 CA HIS A 72 1.417 -16.245 -1.704 1.00 0.00 C ATOM 990 C HIS A 72 1.369 -15.109 -0.682 1.00 0.00 C ATOM 991 O HIS A 72 0.341 -14.885 -0.044 1.00 0.00 O ATOM 992 CB HIS A 72 2.606 -17.184 -1.491 1.00 0.00 C ATOM 993 CG HIS A 72 2.474 -18.513 -2.197 1.00 0.00 C ATOM 994 ND1 HIS A 72 3.298 -18.890 -3.244 1.00 0.00 N ATOM 995 CD2 HIS A 72 1.608 -19.546 -1.996 1.00 0.00 C ATOM 996 CE1 HIS A 72 2.934 -20.098 -3.647 1.00 0.00 C ATOM 997 NE2 HIS A 72 1.886 -20.503 -2.873 1.00 0.00 N ATOM 0 H HIS A 72 2.149 -14.985 -3.211 1.00 0.00 H new ATOM 0 HA HIS A 72 0.521 -16.850 -1.565 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.513 -16.689 -1.837 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.728 -17.362 -0.423 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.828 -19.580 -1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.387 -20.663 -4.448 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.397 -21.394 -2.955 1.00 0.00 H new ATOM 1004 N ARG A 73 2.494 -14.419 -0.556 1.00 0.00 N ATOM 1005 CA ARG A 73 2.593 -13.311 0.378 1.00 0.00 C ATOM 1006 C ARG A 73 1.486 -12.289 0.108 1.00 0.00 C ATOM 1007 O ARG A 73 0.850 -12.321 -0.944 1.00 0.00 O ATOM 1008 CB ARG A 73 3.954 -12.620 0.270 1.00 0.00 C ATOM 1009 CG ARG A 73 4.936 -13.181 1.301 1.00 0.00 C ATOM 1010 CD ARG A 73 4.900 -12.363 2.594 1.00 0.00 C ATOM 1011 NE ARG A 73 6.267 -11.921 2.951 1.00 0.00 N ATOM 1012 CZ ARG A 73 6.546 -11.094 3.967 1.00 0.00 C ATOM 1013 NH1 ARG A 73 5.557 -10.614 4.734 1.00 0.00 N ATOM 1014 NH2 ARG A 73 7.816 -10.745 4.218 1.00 0.00 N ATOM 0 H ARG A 73 3.345 -14.607 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 73 2.482 -13.714 1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.357 -12.757 -0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.835 -11.547 0.422 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.688 -14.220 1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.945 -13.173 0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.250 -11.497 2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.480 -12.962 3.402 1.00 0.00 H new ATOM 0 HE ARG A 73 7.044 -12.268 2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.590 -10.878 4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.771 -9.984 5.507 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.570 -11.109 3.635 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.028 -10.115 4.992 1.00 0.00 H new ATOM 1025 N THR A 74 1.292 -11.406 1.076 1.00 0.00 N ATOM 1026 CA THR A 74 0.275 -10.376 0.956 1.00 0.00 C ATOM 1027 C THR A 74 0.902 -9.054 0.509 1.00 0.00 C ATOM 1028 O THR A 74 0.207 -8.051 0.363 1.00 0.00 O ATOM 1029 CB THR A 74 -0.459 -10.277 2.296 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.585 -10.304 3.265 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.286 -11.529 2.604 1.00 0.00 C ATOM 0 H THR A 74 1.822 -11.383 1.947 1.00 0.00 H new ATOM 0 HA THR A 74 -0.454 -10.630 0.186 1.00 0.00 H new ATOM 0 HB THR A 74 -1.111 -9.403 2.290 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.199 -10.242 4.164 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.786 -11.407 3.565 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.032 -11.674 1.822 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.629 -12.398 2.644 1.00 0.00 H new ATOM 1039 N SER A 75 2.211 -9.098 0.305 1.00 0.00 N ATOM 1040 CA SER A 75 2.941 -7.916 -0.123 1.00 0.00 C ATOM 1041 C SER A 75 3.996 -8.300 -1.161 1.00 0.00 C ATOM 1042 O SER A 75 4.618 -9.357 -1.059 1.00 0.00 O ATOM 1043 CB SER A 75 3.598 -7.214 1.067 1.00 0.00 C ATOM 1044 OG SER A 75 3.483 -7.976 2.266 1.00 0.00 O ATOM 0 H SER A 75 2.784 -9.933 0.428 1.00 0.00 H new ATOM 0 HA SER A 75 2.233 -7.221 -0.574 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.651 -7.039 0.848 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.136 -6.238 1.212 1.00 0.00 H new ATOM 0 HG SER A 75 3.916 -7.495 3.002 1.00 0.00 H new ATOM 1049 N ALA A 76 4.166 -7.422 -2.139 1.00 0.00 N ATOM 1050 CA ALA A 76 5.136 -7.655 -3.195 1.00 0.00 C ATOM 1051 C ALA A 76 5.910 -6.364 -3.466 1.00 0.00 C ATOM 1052 O ALA A 76 5.472 -5.281 -3.081 1.00 0.00 O ATOM 1053 CB ALA A 76 4.417 -8.176 -4.441 1.00 0.00 C ATOM 0 H ALA A 76 3.648 -6.547 -2.222 1.00 0.00 H new ATOM 0 HA ALA A 76 5.858 -8.414 -2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.144 -8.351 -5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.907 -9.110 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.687 -7.439 -4.775 1.00 0.00 H new ATOM 1059 N THR A 77 7.048 -6.521 -4.126 1.00 0.00 N ATOM 1060 CA THR A 77 7.888 -5.382 -4.452 1.00 0.00 C ATOM 1061 C THR A 77 8.000 -5.219 -5.969 1.00 0.00 C ATOM 1062 O THR A 77 8.687 -5.995 -6.632 1.00 0.00 O ATOM 1063 CB THR A 77 9.239 -5.576 -3.761 1.00 0.00 C ATOM 1064 OG1 THR A 77 8.915 -5.622 -2.373 1.00 0.00 O ATOM 1065 CG2 THR A 77 10.145 -4.350 -3.891 1.00 0.00 C ATOM 0 H THR A 77 7.408 -7.421 -4.444 1.00 0.00 H new ATOM 0 HA THR A 77 7.451 -4.452 -4.087 1.00 0.00 H new ATOM 0 HB THR A 77 9.742 -6.445 -4.185 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.734 -5.748 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.090 -4.541 -3.383 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.334 -4.147 -4.945 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.657 -3.487 -3.437 1.00 0.00 H new ATOM 1073 N ILE A 78 7.314 -4.204 -6.476 1.00 0.00 N ATOM 1074 CA ILE A 78 7.328 -3.930 -7.902 1.00 0.00 C ATOM 1075 C ILE A 78 8.677 -3.321 -8.287 1.00 0.00 C ATOM 1076 O ILE A 78 9.241 -2.526 -7.536 1.00 0.00 O ATOM 1077 CB ILE A 78 6.128 -3.065 -8.294 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.829 -3.640 -7.726 1.00 0.00 C ATOM 1079 CG2 ILE A 78 6.058 -2.878 -9.811 1.00 0.00 C ATOM 1080 CD1 ILE A 78 4.282 -4.750 -8.625 1.00 0.00 C ATOM 0 H ILE A 78 6.745 -3.562 -5.924 1.00 0.00 H new ATOM 0 HA ILE A 78 7.223 -4.855 -8.468 1.00 0.00 H new ATOM 0 HB ILE A 78 6.262 -2.076 -7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.008 -4.033 -6.725 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.088 -2.847 -7.629 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.196 -2.260 -10.062 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.968 -2.391 -10.160 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.959 -3.851 -10.293 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.358 -5.142 -8.199 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.081 -4.348 -9.618 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.016 -5.552 -8.700 1.00 0.00 H new ATOM 1091 N THR A 79 9.158 -3.717 -9.457 1.00 0.00 N ATOM 1092 CA THR A 79 10.430 -3.220 -9.951 1.00 0.00 C ATOM 1093 C THR A 79 10.293 -2.747 -11.400 1.00 0.00 C ATOM 1094 O THR A 79 9.224 -2.866 -11.996 1.00 0.00 O ATOM 1095 CB THR A 79 11.473 -4.325 -9.768 1.00 0.00 C ATOM 1096 OG1 THR A 79 10.768 -5.522 -10.082 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.884 -4.507 -8.306 1.00 0.00 C ATOM 0 H THR A 79 8.689 -4.377 -10.077 1.00 0.00 H new ATOM 0 HA THR A 79 10.758 -2.347 -9.388 1.00 0.00 H new ATOM 0 HB THR A 79 12.355 -4.094 -10.366 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.370 -6.290 -9.991 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.625 -5.303 -8.233 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.311 -3.577 -7.930 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.009 -4.771 -7.712 1.00 0.00 H new ATOM 1105 N GLU A 80 11.391 -2.223 -11.924 1.00 0.00 N ATOM 1106 CA GLU A 80 11.407 -1.732 -13.291 1.00 0.00 C ATOM 1107 C GLU A 80 10.428 -0.567 -13.449 1.00 0.00 C ATOM 1108 O GLU A 80 9.493 -0.639 -14.245 1.00 0.00 O ATOM 1109 CB GLU A 80 11.085 -2.854 -14.280 1.00 0.00 C ATOM 1110 CG GLU A 80 12.320 -3.719 -14.549 1.00 0.00 C ATOM 1111 CD GLU A 80 12.002 -4.831 -15.551 1.00 0.00 C ATOM 1112 OE1 GLU A 80 11.387 -5.828 -15.115 1.00 0.00 O ATOM 1113 OE2 GLU A 80 12.381 -4.658 -16.729 1.00 0.00 O ATOM 0 H GLU A 80 12.276 -2.128 -11.426 1.00 0.00 H new ATOM 0 HA GLU A 80 12.411 -1.371 -13.514 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.282 -3.474 -13.883 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.725 -2.427 -15.216 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.127 -3.097 -14.935 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.673 -4.156 -13.615 1.00 0.00 H new ATOM 1118 N LEU A 81 10.677 0.481 -12.676 1.00 0.00 N ATOM 1119 CA LEU A 81 9.829 1.661 -12.719 1.00 0.00 C ATOM 1120 C LEU A 81 10.668 2.870 -13.137 1.00 0.00 C ATOM 1121 O LEU A 81 11.811 3.016 -12.706 1.00 0.00 O ATOM 1122 CB LEU A 81 9.102 1.846 -11.387 1.00 0.00 C ATOM 1123 CG LEU A 81 8.163 0.711 -10.971 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.690 0.893 -9.527 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.991 0.585 -11.946 1.00 0.00 C ATOM 0 H LEU A 81 11.453 0.537 -12.017 1.00 0.00 H new ATOM 0 HA LEU A 81 9.046 1.542 -13.468 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.848 1.979 -10.604 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.524 2.769 -11.436 1.00 0.00 H new ATOM 0 HG LEU A 81 8.719 -0.226 -11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.024 0.074 -9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.552 0.896 -8.860 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.157 1.839 -9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.339 -0.228 -11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.427 1.518 -11.960 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.371 0.376 -12.946 1.00 0.00 H new ATOM 1136 N VAL A 82 10.067 3.708 -13.969 1.00 0.00 N ATOM 1137 CA VAL A 82 10.744 4.900 -14.449 1.00 0.00 C ATOM 1138 C VAL A 82 10.532 6.039 -13.450 1.00 0.00 C ATOM 1139 O VAL A 82 9.401 6.320 -13.054 1.00 0.00 O ATOM 1140 CB VAL A 82 10.261 5.244 -15.860 1.00 0.00 C ATOM 1141 CG1 VAL A 82 10.779 6.616 -16.296 1.00 0.00 C ATOM 1142 CG2 VAL A 82 10.670 4.161 -16.859 1.00 0.00 C ATOM 0 H VAL A 82 9.118 3.585 -14.323 1.00 0.00 H new ATOM 0 HA VAL A 82 11.818 4.727 -14.521 1.00 0.00 H new ATOM 0 HB VAL A 82 9.172 5.287 -15.841 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.422 6.837 -17.302 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.416 7.378 -15.606 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.869 6.612 -16.291 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.314 4.430 -17.854 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.756 4.071 -16.874 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.231 3.208 -16.563 1.00 0.00 H new ATOM 1152 N ILE A 83 11.637 6.664 -13.070 1.00 0.00 N ATOM 1153 CA ILE A 83 11.585 7.766 -12.124 1.00 0.00 C ATOM 1154 C ILE A 83 10.953 8.984 -12.801 1.00 0.00 C ATOM 1155 O ILE A 83 11.444 9.455 -13.826 1.00 0.00 O ATOM 1156 CB ILE A 83 12.974 8.039 -11.543 1.00 0.00 C ATOM 1157 CG1 ILE A 83 13.602 6.754 -10.999 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.919 9.144 -10.486 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.958 7.039 -10.348 1.00 0.00 C ATOM 0 H ILE A 83 12.573 6.428 -13.400 1.00 0.00 H new ATOM 0 HA ILE A 83 10.953 7.509 -11.274 1.00 0.00 H new ATOM 0 HB ILE A 83 13.617 8.396 -12.347 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.933 6.299 -10.269 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.727 6.035 -11.809 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.919 9.318 -10.089 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.543 10.062 -10.938 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.255 8.840 -9.676 1.00 0.00 H new ATOM 0 HD11 ILE A 83 15.383 6.109 -9.970 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.633 7.472 -11.087 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.826 7.739 -9.523 1.00 0.00 H new ATOM 1170 N GLY A 84 9.871 9.460 -12.199 1.00 0.00 N ATOM 1171 CA GLY A 84 9.167 10.614 -12.731 1.00 0.00 C ATOM 1172 C GLY A 84 7.867 10.193 -13.420 1.00 0.00 C ATOM 1173 O GLY A 84 7.593 10.609 -14.545 1.00 0.00 O ATOM 0 H GLY A 84 9.466 9.067 -11.349 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.946 11.313 -11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.806 11.139 -13.441 1.00 0.00 H new ATOM 1177 N ASN A 85 7.101 9.371 -12.717 1.00 0.00 N ATOM 1178 CA ASN A 85 5.837 8.890 -13.247 1.00 0.00 C ATOM 1179 C ASN A 85 5.073 8.155 -12.143 1.00 0.00 C ATOM 1180 O ASN A 85 5.662 7.739 -11.147 1.00 0.00 O ATOM 1181 CB ASN A 85 6.061 7.909 -14.399 1.00 0.00 C ATOM 1182 CG ASN A 85 6.092 8.639 -15.744 1.00 0.00 C ATOM 1183 OD1 ASN A 85 5.183 9.369 -16.102 1.00 0.00 O ATOM 1184 ND2 ASN A 85 7.185 8.401 -16.463 1.00 0.00 N ATOM 0 H ASN A 85 7.332 9.026 -11.785 1.00 0.00 H new ATOM 0 HA ASN A 85 5.274 9.750 -13.609 1.00 0.00 H new ATOM 0 HB2 ASN A 85 7.000 7.375 -14.249 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.267 7.162 -14.405 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.301 8.841 -17.376 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.907 7.778 -16.102 1.00 0.00 H new ATOM 1190 N GLU A 86 3.772 8.020 -12.358 1.00 0.00 N ATOM 1191 CA GLU A 86 2.921 7.344 -11.393 1.00 0.00 C ATOM 1192 C GLU A 86 2.456 5.997 -11.949 1.00 0.00 C ATOM 1193 O GLU A 86 2.537 5.757 -13.152 1.00 0.00 O ATOM 1194 CB GLU A 86 1.728 8.220 -11.006 1.00 0.00 C ATOM 1195 CG GLU A 86 0.824 8.479 -12.214 1.00 0.00 C ATOM 1196 CD GLU A 86 0.635 9.980 -12.444 1.00 0.00 C ATOM 1197 OE1 GLU A 86 1.636 10.628 -12.814 1.00 0.00 O ATOM 1198 OE2 GLU A 86 -0.509 10.444 -12.245 1.00 0.00 O ATOM 0 H GLU A 86 3.287 8.367 -13.186 1.00 0.00 H new ATOM 0 HA GLU A 86 3.502 7.161 -10.489 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.156 7.733 -10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.084 9.168 -10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.259 8.023 -13.103 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.145 8.007 -12.056 1.00 0.00 H new ATOM 1203 N TYR A 87 1.978 5.154 -11.046 1.00 0.00 N ATOM 1204 CA TYR A 87 1.499 3.837 -11.431 1.00 0.00 C ATOM 1205 C TYR A 87 0.347 3.386 -10.529 1.00 0.00 C ATOM 1206 O TYR A 87 0.252 3.812 -9.379 1.00 0.00 O ATOM 1207 CB TYR A 87 2.682 2.886 -11.241 1.00 0.00 C ATOM 1208 CG TYR A 87 3.900 3.229 -12.099 1.00 0.00 C ATOM 1209 CD1 TYR A 87 4.012 2.717 -13.376 1.00 0.00 C ATOM 1210 CD2 TYR A 87 4.889 4.051 -11.597 1.00 0.00 C ATOM 1211 CE1 TYR A 87 5.158 3.041 -14.184 1.00 0.00 C ATOM 1212 CE2 TYR A 87 6.037 4.374 -12.405 1.00 0.00 C ATOM 1213 CZ TYR A 87 6.115 3.854 -13.659 1.00 0.00 C ATOM 1214 OH TYR A 87 7.198 4.159 -14.421 1.00 0.00 O ATOM 0 H TYR A 87 1.912 5.357 -10.049 1.00 0.00 H new ATOM 0 HA TYR A 87 1.131 3.848 -12.457 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.976 2.894 -10.191 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.360 1.871 -11.474 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.239 2.073 -13.769 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.802 4.452 -10.598 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.256 2.648 -15.185 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.818 5.015 -12.023 1.00 0.00 H new ATOM 0 HH TYR A 87 7.671 4.921 -14.027 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.499 2.532 -11.086 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.639 2.019 -10.346 1.00 0.00 C ATOM 1225 C TYR A 88 -1.510 0.513 -10.113 1.00 0.00 C ATOM 1226 O TYR A 88 -0.872 -0.187 -10.898 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.864 2.284 -11.223 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.358 3.732 -11.183 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.815 4.272 -9.997 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.346 4.498 -12.330 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.280 5.634 -9.959 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -3.811 5.861 -12.292 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.255 6.361 -11.108 1.00 0.00 C ATOM 1234 OH TYR A 88 -4.694 7.648 -11.072 1.00 0.00 O ATOM 0 H TYR A 88 -0.418 2.183 -12.041 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.711 2.500 -9.370 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.624 2.021 -12.253 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.673 1.626 -10.907 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.824 3.673 -9.098 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.988 4.076 -13.257 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.641 6.069 -9.038 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.807 6.471 -13.183 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.617 8.045 -11.965 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.125 0.059 -9.031 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.087 -1.352 -8.685 1.00 0.00 C ATOM 1245 C PHE A 89 -3.398 -1.792 -8.032 1.00 0.00 C ATOM 1246 O PHE A 89 -4.123 -0.971 -7.471 1.00 0.00 O ATOM 1247 CB PHE A 89 -0.945 -1.535 -7.682 1.00 0.00 C ATOM 1248 CG PHE A 89 0.346 -0.812 -8.071 1.00 0.00 C ATOM 1249 CD1 PHE A 89 0.428 0.541 -7.958 1.00 0.00 C ATOM 1250 CD2 PHE A 89 1.412 -1.523 -8.527 1.00 0.00 C ATOM 1251 CE1 PHE A 89 1.626 1.213 -8.318 1.00 0.00 C ATOM 1252 CE2 PHE A 89 2.610 -0.851 -8.887 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.692 0.502 -8.775 1.00 0.00 C ATOM 0 H PHE A 89 -2.653 0.643 -8.382 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.941 -1.952 -9.583 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.271 -1.175 -6.706 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.735 -2.599 -7.576 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.419 1.104 -7.594 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.347 -2.597 -8.615 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.691 2.287 -8.229 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.457 -1.415 -9.250 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.604 1.012 -9.049 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.665 -3.086 -8.128 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.877 -3.646 -7.554 1.00 0.00 C ATOM 1264 C ARG A 90 -4.722 -5.155 -7.352 1.00 0.00 C ATOM 1265 O ARG A 90 -4.253 -5.858 -8.245 1.00 0.00 O ATOM 1266 CB ARG A 90 -6.085 -3.380 -8.453 1.00 0.00 C ATOM 1267 CG ARG A 90 -5.814 -3.839 -9.887 1.00 0.00 C ATOM 1268 CD ARG A 90 -7.100 -4.319 -10.562 1.00 0.00 C ATOM 1269 NE ARG A 90 -7.068 -3.990 -12.005 1.00 0.00 N ATOM 1270 CZ ARG A 90 -8.127 -4.083 -12.821 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -9.307 -4.498 -12.341 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -8.005 -3.764 -14.116 1.00 0.00 N ATOM 0 H ARG A 90 -3.062 -3.763 -8.595 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.041 -3.163 -6.591 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.957 -3.902 -8.059 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.320 -2.316 -8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.383 -3.018 -10.460 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.079 -4.644 -9.882 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.211 -5.395 -10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.964 -3.849 -10.093 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.184 -3.673 -12.403 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.399 -4.743 -11.355 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.113 -4.569 -12.961 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.106 -3.450 -14.481 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.811 -3.835 -14.737 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.123 -5.606 -6.174 1.00 0.00 N ATOM 1284 CA VAL A 91 -5.035 -7.018 -5.844 1.00 0.00 C ATOM 1285 C VAL A 91 -6.403 -7.673 -6.048 1.00 0.00 C ATOM 1286 O VAL A 91 -7.436 -7.035 -5.844 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.496 -7.191 -4.422 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.539 -8.660 -3.994 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.080 -6.626 -4.301 1.00 0.00 C ATOM 0 H VAL A 91 -5.510 -5.019 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.332 -7.521 -6.508 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.141 -6.627 -3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.151 -8.755 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.568 -9.018 -4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.929 -9.255 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.720 -6.761 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.419 -7.150 -4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.090 -5.563 -4.544 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.367 -8.935 -6.446 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.591 -9.683 -6.679 1.00 0.00 C ATOM 1301 C PHE A 92 -7.760 -10.795 -5.644 1.00 0.00 C ATOM 1302 O PHE A 92 -7.003 -10.869 -4.677 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.474 -10.310 -8.069 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.603 -9.308 -9.218 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -6.505 -8.638 -9.663 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -8.814 -9.086 -9.795 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -6.625 -7.707 -10.728 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -8.934 -8.156 -10.860 1.00 0.00 C ATOM 1309 CZ PHE A 92 -7.837 -7.485 -11.304 1.00 0.00 C ATOM 0 H PHE A 92 -5.509 -9.460 -6.613 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.452 -9.019 -6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.512 -10.816 -8.148 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.245 -11.073 -8.178 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.543 -8.815 -9.206 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.685 -9.618 -9.442 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.754 -7.175 -11.081 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.896 -7.981 -11.318 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.928 -6.776 -12.114 1.00 0.00 H new ATOM 1318 N SER A 93 -8.759 -11.634 -5.879 1.00 0.00 N ATOM 1319 CA SER A 93 -9.038 -12.738 -4.979 1.00 0.00 C ATOM 1320 C SER A 93 -9.070 -14.054 -5.759 1.00 0.00 C ATOM 1321 O SER A 93 -10.119 -14.455 -6.262 1.00 0.00 O ATOM 1322 CB SER A 93 -10.360 -12.527 -4.239 1.00 0.00 C ATOM 1323 OG SER A 93 -10.208 -11.674 -3.107 1.00 0.00 O ATOM 0 H SER A 93 -9.385 -11.570 -6.681 1.00 0.00 H new ATOM 0 HA SER A 93 -8.241 -12.782 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.093 -12.097 -4.921 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.753 -13.491 -3.916 1.00 0.00 H new ATOM 0 HG SER A 93 -10.943 -11.026 -3.084 1.00 0.00 H new ATOM 1328 N GLU A 94 -7.911 -14.690 -5.835 1.00 0.00 N ATOM 1329 CA GLU A 94 -7.794 -15.952 -6.546 1.00 0.00 C ATOM 1330 C GLU A 94 -8.643 -17.026 -5.862 1.00 0.00 C ATOM 1331 O GLU A 94 -8.827 -16.997 -4.647 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.332 -16.390 -6.646 1.00 0.00 C ATOM 1333 CG GLU A 94 -5.875 -16.444 -8.106 1.00 0.00 C ATOM 1334 CD GLU A 94 -5.911 -17.877 -8.640 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -5.702 -18.795 -7.817 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -6.148 -18.022 -9.859 1.00 0.00 O ATOM 0 H GLU A 94 -7.044 -14.355 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.168 -15.813 -7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.702 -15.696 -6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.210 -17.371 -6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.518 -15.809 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.863 -16.047 -8.189 1.00 0.00 H new ATOM 1341 N ASN A 95 -9.138 -17.949 -6.675 1.00 0.00 N ATOM 1342 CA ASN A 95 -9.963 -19.030 -6.164 1.00 0.00 C ATOM 1343 C ASN A 95 -10.126 -20.096 -7.249 1.00 0.00 C ATOM 1344 O ASN A 95 -9.650 -19.926 -8.370 1.00 0.00 O ATOM 1345 CB ASN A 95 -11.356 -18.527 -5.782 1.00 0.00 C ATOM 1346 CG ASN A 95 -11.879 -17.525 -6.814 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -11.196 -16.598 -7.219 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -13.124 -17.761 -7.214 1.00 0.00 N ATOM 0 H ASN A 95 -8.983 -17.970 -7.683 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.474 -19.440 -5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.043 -19.370 -5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.320 -18.057 -4.799 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.564 -17.148 -7.901 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -13.640 -18.555 -6.835 1.00 0.00 H new ATOM 1354 N MET A 96 -10.802 -21.174 -6.877 1.00 0.00 N ATOM 1355 CA MET A 96 -11.034 -22.268 -7.805 1.00 0.00 C ATOM 1356 C MET A 96 -12.335 -22.061 -8.583 1.00 0.00 C ATOM 1357 O MET A 96 -12.938 -23.021 -9.059 1.00 0.00 O ATOM 1358 CB MET A 96 -11.106 -23.587 -7.031 1.00 0.00 C ATOM 1359 CG MET A 96 -12.312 -23.604 -6.089 1.00 0.00 C ATOM 1360 SD MET A 96 -13.138 -25.183 -6.187 1.00 0.00 S ATOM 1361 CE MET A 96 -14.140 -25.099 -4.711 1.00 0.00 C ATOM 0 H MET A 96 -11.196 -21.313 -5.946 1.00 0.00 H new ATOM 0 HA MET A 96 -10.209 -22.298 -8.516 1.00 0.00 H new ATOM 0 HB2 MET A 96 -11.174 -24.420 -7.730 1.00 0.00 H new ATOM 0 HB3 MET A 96 -10.190 -23.727 -6.457 1.00 0.00 H new ATOM 0 HG2 MET A 96 -11.987 -23.417 -5.065 1.00 0.00 H new ATOM 0 HG3 MET A 96 -13.004 -22.805 -6.355 1.00 0.00 H new ATOM 0 HE1 MET A 96 -14.726 -26.013 -4.616 1.00 0.00 H new ATOM 0 HE2 MET A 96 -13.495 -24.989 -3.839 1.00 0.00 H new ATOM 0 HE3 MET A 96 -14.812 -24.243 -4.775 1.00 0.00 H new ATOM 1369 N CYS A 97 -12.730 -20.800 -8.688 1.00 0.00 N ATOM 1370 CA CYS A 97 -13.948 -20.455 -9.400 1.00 0.00 C ATOM 1371 C CYS A 97 -13.590 -19.469 -10.514 1.00 0.00 C ATOM 1372 O CYS A 97 -13.973 -19.663 -11.667 1.00 0.00 O ATOM 1373 CB CYS A 97 -15.012 -19.888 -8.458 1.00 0.00 C ATOM 1374 SG CYS A 97 -16.650 -20.593 -8.869 1.00 0.00 S ATOM 0 H CYS A 97 -12.228 -20.006 -8.292 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.384 -21.354 -9.837 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.756 -20.120 -7.424 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -15.043 -18.802 -8.542 1.00 0.00 H new ATOM 0 HG CYS A 97 -17.546 -20.107 -8.062 1.00 0.00 H new ATOM 1379 N GLY A 98 -12.859 -18.432 -10.132 1.00 0.00 N ATOM 1380 CA GLY A 98 -12.444 -17.417 -11.084 1.00 0.00 C ATOM 1381 C GLY A 98 -12.028 -16.130 -10.368 1.00 0.00 C ATOM 1382 O GLY A 98 -12.529 -15.829 -9.286 1.00 0.00 O ATOM 0 H GLY A 98 -12.543 -18.273 -9.175 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.611 -17.791 -11.680 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.261 -17.206 -11.774 1.00 0.00 H new ATOM 1386 N LEU A 99 -11.117 -15.407 -11.000 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.628 -14.159 -10.437 1.00 0.00 C ATOM 1388 C LEU A 99 -11.817 -13.270 -10.069 1.00 0.00 C ATOM 1389 O LEU A 99 -12.920 -13.461 -10.578 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.635 -13.494 -11.392 1.00 0.00 C ATOM 1391 CG LEU A 99 -8.156 -13.624 -11.019 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -7.930 -13.285 -9.545 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -7.621 -15.012 -11.377 1.00 0.00 C ATOM 0 H LEU A 99 -10.704 -15.661 -11.897 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.074 -14.347 -9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.777 -13.918 -12.386 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.880 -12.434 -11.460 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.591 -12.900 -11.605 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.871 -13.385 -9.307 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.249 -12.260 -9.354 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.508 -13.967 -8.922 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.568 -15.078 -11.102 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.186 -15.771 -10.835 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.727 -15.177 -12.449 1.00 0.00 H new ATOM 1404 N SER A 100 -11.552 -12.318 -9.187 1.00 0.00 N ATOM 1405 CA SER A 100 -12.587 -11.400 -8.744 1.00 0.00 C ATOM 1406 C SER A 100 -12.925 -10.413 -9.864 1.00 0.00 C ATOM 1407 O SER A 100 -12.029 -9.830 -10.473 1.00 0.00 O ATOM 1408 CB SER A 100 -12.152 -10.645 -7.485 1.00 0.00 C ATOM 1409 OG SER A 100 -10.836 -10.113 -7.609 1.00 0.00 O ATOM 0 H SER A 100 -10.636 -12.162 -8.767 1.00 0.00 H new ATOM 0 HA SER A 100 -13.476 -11.980 -8.498 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.854 -9.834 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.192 -11.317 -6.628 1.00 0.00 H new ATOM 0 HG SER A 100 -10.878 -9.134 -7.617 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.219 -10.257 -10.101 1.00 0.00 N ATOM 1415 CA GLU A 101 -14.686 -9.351 -11.137 1.00 0.00 C ATOM 1416 C GLU A 101 -14.035 -7.976 -10.973 1.00 0.00 C ATOM 1417 O GLU A 101 -13.710 -7.317 -11.959 1.00 0.00 O ATOM 1418 CB GLU A 101 -16.211 -9.241 -11.122 1.00 0.00 C ATOM 1419 CG GLU A 101 -16.820 -9.868 -12.377 1.00 0.00 C ATOM 1420 CD GLU A 101 -17.941 -8.994 -12.940 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -19.092 -9.186 -12.489 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -17.624 -8.153 -13.808 1.00 0.00 O ATOM 0 H GLU A 101 -14.959 -10.743 -9.594 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.393 -9.756 -12.106 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.606 -9.737 -10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.503 -8.193 -11.057 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.046 -10.003 -13.132 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -17.210 -10.858 -12.140 1.00 0.00 H new ATOM 1427 N ASP A 102 -13.864 -7.583 -9.719 1.00 0.00 N ATOM 1428 CA ASP A 102 -13.259 -6.299 -9.412 1.00 0.00 C ATOM 1429 C ASP A 102 -12.225 -6.480 -8.299 1.00 0.00 C ATOM 1430 O ASP A 102 -12.319 -7.414 -7.505 1.00 0.00 O ATOM 1431 CB ASP A 102 -14.308 -5.298 -8.925 1.00 0.00 C ATOM 1432 CG ASP A 102 -15.459 -5.906 -8.122 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -15.158 -6.741 -7.242 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -16.614 -5.523 -8.406 1.00 0.00 O ATOM 0 H ASP A 102 -14.134 -8.132 -8.903 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.794 -5.920 -10.322 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.813 -4.547 -8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.722 -4.780 -9.790 1.00 0.00 H new ATOM 1438 N ALA A 103 -11.260 -5.572 -8.279 1.00 0.00 N ATOM 1439 CA ALA A 103 -10.209 -5.620 -7.276 1.00 0.00 C ATOM 1440 C ALA A 103 -10.096 -4.254 -6.596 1.00 0.00 C ATOM 1441 O ALA A 103 -10.445 -3.232 -7.186 1.00 0.00 O ATOM 1442 CB ALA A 103 -8.897 -6.054 -7.932 1.00 0.00 C ATOM 0 H ALA A 103 -11.184 -4.799 -8.941 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.447 -6.353 -6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.109 -6.090 -7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.021 -7.042 -8.375 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.625 -5.340 -8.709 1.00 0.00 H new ATOM 1448 N THR A 104 -9.608 -4.280 -5.365 1.00 0.00 N ATOM 1449 CA THR A 104 -9.445 -3.056 -4.598 1.00 0.00 C ATOM 1450 C THR A 104 -8.202 -2.296 -5.065 1.00 0.00 C ATOM 1451 O THR A 104 -7.083 -2.632 -4.680 1.00 0.00 O ATOM 1452 CB THR A 104 -9.408 -3.429 -3.115 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.781 -3.512 -2.744 1.00 0.00 O ATOM 1454 CG2 THR A 104 -8.853 -2.301 -2.242 1.00 0.00 C ATOM 0 H THR A 104 -9.320 -5.129 -4.879 1.00 0.00 H new ATOM 0 HA THR A 104 -10.282 -2.376 -4.756 1.00 0.00 H new ATOM 0 HB THR A 104 -8.801 -4.324 -2.980 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.850 -3.752 -1.796 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.848 -2.617 -1.199 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.836 -2.066 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 104 -9.479 -1.416 -2.350 1.00 0.00 H new ATOM 1462 N MET A 105 -8.440 -1.285 -5.888 1.00 0.00 N ATOM 1463 CA MET A 105 -7.353 -0.474 -6.410 1.00 0.00 C ATOM 1464 C MET A 105 -6.879 0.544 -5.372 1.00 0.00 C ATOM 1465 O MET A 105 -7.680 1.068 -4.601 1.00 0.00 O ATOM 1466 CB MET A 105 -7.824 0.260 -7.668 1.00 0.00 C ATOM 1467 CG MET A 105 -6.637 0.651 -8.551 1.00 0.00 C ATOM 1468 SD MET A 105 -7.195 0.970 -10.216 1.00 0.00 S ATOM 1469 CE MET A 105 -6.730 2.686 -10.375 1.00 0.00 C ATOM 0 H MET A 105 -9.369 -1.009 -6.206 1.00 0.00 H new ATOM 0 HA MET A 105 -6.518 -1.131 -6.652 1.00 0.00 H new ATOM 0 HB2 MET A 105 -8.506 -0.377 -8.231 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.381 1.153 -7.385 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.148 1.537 -8.146 1.00 0.00 H new ATOM 0 HG3 MET A 105 -5.896 -0.148 -8.554 1.00 0.00 H new ATOM 0 HE1 MET A 105 -7.612 3.282 -10.607 1.00 0.00 H new ATOM 0 HE2 MET A 105 -6.294 3.033 -9.438 1.00 0.00 H new ATOM 0 HE3 MET A 105 -5.999 2.792 -11.177 1.00 0.00 H new ATOM 1477 N THR A 106 -5.578 0.792 -5.385 1.00 0.00 N ATOM 1478 CA THR A 106 -4.987 1.738 -4.453 1.00 0.00 C ATOM 1479 C THR A 106 -5.670 3.102 -4.572 1.00 0.00 C ATOM 1480 O THR A 106 -5.648 3.720 -5.635 1.00 0.00 O ATOM 1481 CB THR A 106 -3.481 1.788 -4.721 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.385 1.965 -6.131 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.797 0.443 -4.466 1.00 0.00 C ATOM 0 H THR A 106 -4.916 0.355 -6.026 1.00 0.00 H new ATOM 0 HA THR A 106 -5.138 1.422 -3.421 1.00 0.00 H new ATOM 0 HB THR A 106 -3.025 2.552 -4.092 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.229 2.911 -6.332 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.730 0.533 -4.671 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.944 0.152 -3.426 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.229 -0.315 -5.119 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.262 3.529 -3.467 1.00 0.00 N ATOM 1492 CA LYS A 107 -6.951 4.809 -3.434 1.00 0.00 C ATOM 1493 C LYS A 107 -6.125 5.847 -4.196 1.00 0.00 C ATOM 1494 O LYS A 107 -6.679 6.773 -4.787 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.265 5.211 -1.992 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.775 5.268 -1.755 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.286 6.709 -1.822 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.149 7.042 -0.602 1.00 0.00 C ATOM 1499 NZ LYS A 107 -11.553 7.273 -1.008 1.00 0.00 N ATOM 0 H LYS A 107 -6.279 3.012 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.915 4.736 -3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.812 4.496 -1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.823 6.184 -1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.287 4.662 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.010 4.840 -0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.441 7.396 -1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.868 6.850 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.102 6.225 0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.758 7.929 -0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.125 7.498 -0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.594 8.067 -1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.928 6.416 -1.463 1.00 0.00 H new ATOM 1509 N GLU A 108 -4.814 5.659 -4.158 1.00 0.00 N ATOM 1510 CA GLU A 108 -3.908 6.567 -4.837 1.00 0.00 C ATOM 1511 C GLU A 108 -2.899 5.781 -5.677 1.00 0.00 C ATOM 1512 O GLU A 108 -2.953 4.554 -5.729 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.195 7.481 -3.837 1.00 0.00 C ATOM 1514 CG GLU A 108 -2.427 6.662 -2.798 1.00 0.00 C ATOM 1515 CD GLU A 108 -1.670 7.575 -1.830 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -0.534 7.957 -2.182 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -2.246 7.869 -0.761 1.00 0.00 O ATOM 0 H GLU A 108 -4.358 4.890 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.493 7.200 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.507 8.140 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.924 8.118 -3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.121 6.032 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.725 5.997 -3.301 1.00 0.00 H new ATOM 1522 N SER A 109 -2.003 6.522 -6.313 1.00 0.00 N ATOM 1523 CA SER A 109 -0.983 5.909 -7.148 1.00 0.00 C ATOM 1524 C SER A 109 0.396 6.096 -6.513 1.00 0.00 C ATOM 1525 O SER A 109 0.555 6.894 -5.589 1.00 0.00 O ATOM 1526 CB SER A 109 -1.001 6.498 -8.560 1.00 0.00 C ATOM 1527 OG SER A 109 -0.866 7.916 -8.549 1.00 0.00 O ATOM 0 H SER A 109 -1.962 7.540 -6.267 1.00 0.00 H new ATOM 0 HA SER A 109 -1.199 4.843 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.192 6.061 -9.145 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.934 6.227 -9.054 1.00 0.00 H new ATOM 0 HG SER A 109 -0.880 8.253 -9.469 1.00 0.00 H new ATOM 1532 N ALA A 110 1.358 5.347 -7.032 1.00 0.00 N ATOM 1533 CA ALA A 110 2.718 5.421 -6.527 1.00 0.00 C ATOM 1534 C ALA A 110 3.536 6.366 -7.410 1.00 0.00 C ATOM 1535 O ALA A 110 3.746 6.093 -8.591 1.00 0.00 O ATOM 1536 CB ALA A 110 3.318 4.014 -6.468 1.00 0.00 C ATOM 0 H ALA A 110 1.222 4.686 -7.797 1.00 0.00 H new ATOM 0 HA ALA A 110 2.729 5.824 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.339 4.069 -6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.718 3.390 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.325 3.579 -7.468 1.00 0.00 H new ATOM 1542 N VAL A 111 3.974 7.460 -6.803 1.00 0.00 N ATOM 1543 CA VAL A 111 4.763 8.447 -7.519 1.00 0.00 C ATOM 1544 C VAL A 111 6.242 8.265 -7.168 1.00 0.00 C ATOM 1545 O VAL A 111 6.621 8.346 -6.001 1.00 0.00 O ATOM 1546 CB VAL A 111 4.246 9.853 -7.212 1.00 0.00 C ATOM 1547 CG1 VAL A 111 5.102 10.916 -7.904 1.00 0.00 C ATOM 1548 CG2 VAL A 111 2.774 9.994 -7.607 1.00 0.00 C ATOM 0 H VAL A 111 3.797 7.684 -5.824 1.00 0.00 H new ATOM 0 HA VAL A 111 4.664 8.306 -8.595 1.00 0.00 H new ATOM 0 HB VAL A 111 4.322 10.010 -6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.712 11.906 -7.669 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.131 10.839 -7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.073 10.761 -8.983 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.431 11.003 -7.378 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.664 9.807 -8.675 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.177 9.273 -7.049 1.00 0.00 H new ATOM 1558 N ILE A 112 7.036 8.022 -8.199 1.00 0.00 N ATOM 1559 CA ILE A 112 8.464 7.827 -8.015 1.00 0.00 C ATOM 1560 C ILE A 112 9.142 9.188 -7.842 1.00 0.00 C ATOM 1561 O ILE A 112 9.006 10.065 -8.693 1.00 0.00 O ATOM 1562 CB ILE A 112 9.043 6.992 -9.159 1.00 0.00 C ATOM 1563 CG1 ILE A 112 8.247 5.700 -9.354 1.00 0.00 C ATOM 1564 CG2 ILE A 112 10.533 6.720 -8.939 1.00 0.00 C ATOM 1565 CD1 ILE A 112 8.234 4.866 -8.071 1.00 0.00 C ATOM 0 H ILE A 112 6.718 7.956 -9.166 1.00 0.00 H new ATOM 0 HA ILE A 112 8.657 7.257 -7.106 1.00 0.00 H new ATOM 0 HB ILE A 112 8.953 7.567 -10.081 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.225 5.939 -9.647 1.00 0.00 H new ATOM 0 HG13 ILE A 112 8.684 5.118 -10.166 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.920 6.125 -9.766 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.072 7.666 -8.889 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.669 6.175 -8.005 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.662 3.953 -8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.256 4.608 -7.794 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.775 5.442 -7.267 1.00 0.00 H new ATOM 1576 N ALA A 113 9.857 9.321 -6.734 1.00 0.00 N ATOM 1577 CA ALA A 113 10.555 10.560 -6.439 1.00 0.00 C ATOM 1578 C ALA A 113 12.024 10.253 -6.139 1.00 0.00 C ATOM 1579 O ALA A 113 12.794 11.152 -5.805 1.00 0.00 O ATOM 1580 CB ALA A 113 9.861 11.273 -5.277 1.00 0.00 C ATOM 0 H ALA A 113 9.968 8.591 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 113 10.526 11.231 -7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.385 12.203 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.829 11.494 -5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.874 10.631 -4.396 1.00 0.00 H new