USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 618 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 60 THR OG1 : rot -75:sc= 0.762 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -164:sc= -1.26! (180deg=-2.68!) USER MOD Set 2.1: A 36 ASN : amide:sc= -0.0323 K(o=0.085,f=-4.6!) USER MOD Set 2.2: A 40 LYS NZ :NH3+ 149:sc= 0.117 (180deg=0) USER MOD Set 3.1: A 25 GLN : amide:sc= -0.824 K(o=-5,f=-6.1) USER MOD Set 3.2: A 90 HIS : no HD1:sc= -4.18! C(o=-5!,f=-5.9!) USER MOD Single : A 16 SER OG : rot 64:sc= 1.2 USER MOD Single : A 22 ASN : amide:sc= -0.438 K(o=-0.44,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 0.318 (180deg=-0.377) USER MOD Single : A 39 HIS : no HE2:sc= 0.141 K(o=0.14,f=-3.4!) USER MOD Single : A 43 SER OG : rot -22:sc= 0.113 USER MOD Single : A 44 LYS NZ :NH3+ -173:sc=-0.00177 (180deg=-0.0744) USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0329) USER MOD Single : A 49 THR OG1 : rot -150:sc= -0.286 USER MOD Single : A 50 ASN : amide:sc= 0.712 K(o=0.71,f=0.082) USER MOD Single : A 53 TYR OH : rot 130:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 171:sc= 0.586 USER MOD Single : A 70 SER OG : rot -70:sc= -0.305 USER MOD Single : A 73 HIS : no HE2:sc= -8.34! C(o=-8.3!,f=-17!) USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= 1.25 (180deg=1.22) USER MOD Single : A 80 ASN : amide:sc= 1.11 K(o=1.1,f=-0.12) USER MOD Single : A 84 TYR OH : rot -68:sc= 0.0723 USER MOD Single : A 85 LYS NZ :NH3+ 170:sc=-0.00304 (180deg=-0.106) USER MOD Single : A 88 LYS NZ :NH3+ 162:sc= 1.18 (180deg=0.767) USER MOD Single : A 89 GLN : amide:sc= -0.671 X(o=-0.67,f=-0.61) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -3.1! K(o=-3.1!,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 209 N ASP A 15 -11.415 1.127 2.665 1.00 0.00 N ATOM 210 CA ASP A 15 -10.960 0.513 1.424 1.00 0.00 C ATOM 211 C ASP A 15 -9.784 1.266 0.860 1.00 0.00 C ATOM 212 O ASP A 15 -9.174 0.866 -0.087 1.00 0.00 O ATOM 213 CB ASP A 15 -12.143 0.512 0.429 1.00 0.00 C ATOM 214 CG ASP A 15 -11.791 0.152 -1.006 1.00 0.00 C ATOM 215 OD1 ASP A 15 -11.538 -1.029 -1.297 1.00 0.00 O ATOM 216 OD2 ASP A 15 -11.805 1.063 -1.867 1.00 0.00 O ATOM 0 HA ASP A 15 -10.631 -0.509 1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.896 -0.190 0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.601 1.501 0.435 1.00 0.00 H new ATOM 221 N SER A 16 -9.425 2.305 1.505 1.00 0.00 N ATOM 222 CA SER A 16 -8.427 3.169 0.965 1.00 0.00 C ATOM 223 C SER A 16 -7.008 2.799 1.449 1.00 0.00 C ATOM 224 O SER A 16 -6.038 3.342 0.958 1.00 0.00 O ATOM 225 CB SER A 16 -8.792 4.629 1.289 1.00 0.00 C ATOM 226 OG SER A 16 -7.914 5.569 0.698 1.00 0.00 O ATOM 0 H SER A 16 -9.801 2.588 2.410 1.00 0.00 H new ATOM 0 HA SER A 16 -8.405 3.045 -0.118 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.808 4.827 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.786 4.766 2.370 1.00 0.00 H new ATOM 0 HG SER A 16 -7.977 5.507 -0.278 1.00 0.00 H new ATOM 232 N VAL A 17 -6.894 1.853 2.369 1.00 0.00 N ATOM 233 CA VAL A 17 -5.587 1.514 2.930 1.00 0.00 C ATOM 234 C VAL A 17 -5.252 0.047 2.681 1.00 0.00 C ATOM 235 O VAL A 17 -5.933 -0.847 3.184 1.00 0.00 O ATOM 236 CB VAL A 17 -5.512 1.805 4.461 1.00 0.00 C ATOM 237 CG1 VAL A 17 -4.128 1.481 5.012 1.00 0.00 C ATOM 238 CG2 VAL A 17 -5.871 3.251 4.768 1.00 0.00 C ATOM 0 H VAL A 17 -7.675 1.312 2.741 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.858 2.147 2.424 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.242 1.160 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.103 1.693 6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.908 0.426 4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.382 2.092 4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.809 3.421 5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.176 3.915 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.886 3.454 4.426 1.00 0.00 H new ATOM 248 N ILE A 18 -4.221 -0.192 1.904 1.00 0.00 N ATOM 249 CA ILE A 18 -3.773 -1.550 1.622 1.00 0.00 C ATOM 250 C ILE A 18 -2.690 -1.917 2.614 1.00 0.00 C ATOM 251 O ILE A 18 -1.862 -1.076 2.980 1.00 0.00 O ATOM 252 CB ILE A 18 -3.131 -1.700 0.208 1.00 0.00 C ATOM 253 CG1 ILE A 18 -3.949 -1.025 -0.879 1.00 0.00 C ATOM 254 CG2 ILE A 18 -2.907 -3.179 -0.149 1.00 0.00 C ATOM 255 CD1 ILE A 18 -5.332 -1.575 -1.058 1.00 0.00 C ATOM 0 H ILE A 18 -3.669 0.536 1.450 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.655 -2.188 1.684 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.166 -1.195 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.023 0.038 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.413 -1.112 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.459 -3.250 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.241 -3.633 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.863 -3.703 -0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.839 -1.031 -1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.272 -2.631 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.891 -1.463 -0.129 1.00 0.00 H new ATOM 267 N VAL A 19 -2.697 -3.150 3.016 1.00 0.00 N ATOM 268 CA VAL A 19 -1.691 -3.720 3.873 1.00 0.00 C ATOM 269 C VAL A 19 -1.069 -4.885 3.120 1.00 0.00 C ATOM 270 O VAL A 19 -1.778 -5.800 2.673 1.00 0.00 O ATOM 271 CB VAL A 19 -2.282 -4.239 5.201 1.00 0.00 C ATOM 272 CG1 VAL A 19 -1.219 -4.909 6.051 1.00 0.00 C ATOM 273 CG2 VAL A 19 -2.997 -3.139 5.972 1.00 0.00 C ATOM 0 H VAL A 19 -3.425 -3.813 2.751 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.959 -2.952 4.123 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.030 -4.991 4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.666 -5.264 6.980 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.796 -5.753 5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.430 -4.192 6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.398 -3.547 6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.293 -2.339 6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.813 -2.742 5.368 1.00 0.00 H new ATOM 283 N VAL A 20 0.216 -4.838 2.956 1.00 0.00 N ATOM 284 CA VAL A 20 0.938 -5.843 2.197 1.00 0.00 C ATOM 285 C VAL A 20 1.959 -6.554 3.076 1.00 0.00 C ATOM 286 O VAL A 20 2.605 -5.922 3.889 1.00 0.00 O ATOM 287 CB VAL A 20 1.660 -5.184 0.999 1.00 0.00 C ATOM 288 CG1 VAL A 20 2.526 -6.160 0.263 1.00 0.00 C ATOM 289 CG2 VAL A 20 0.670 -4.527 0.059 1.00 0.00 C ATOM 0 H VAL A 20 0.808 -4.103 3.342 1.00 0.00 H new ATOM 0 HA VAL A 20 0.219 -6.576 1.832 1.00 0.00 H new ATOM 0 HB VAL A 20 2.312 -4.410 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.015 -5.656 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.282 -6.558 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.912 -6.977 -0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.206 -4.072 -0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.023 -5.277 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.114 -3.759 0.596 1.00 0.00 H new ATOM 299 N ASP A 21 2.081 -7.861 2.901 1.00 0.00 N ATOM 300 CA ASP A 21 3.050 -8.681 3.640 1.00 0.00 C ATOM 301 C ASP A 21 4.212 -9.114 2.721 1.00 0.00 C ATOM 302 O ASP A 21 3.993 -9.365 1.539 1.00 0.00 O ATOM 303 CB ASP A 21 2.345 -9.906 4.241 1.00 0.00 C ATOM 304 CG ASP A 21 3.273 -10.874 4.946 1.00 0.00 C ATOM 305 OD1 ASP A 21 4.071 -10.444 5.801 1.00 0.00 O ATOM 306 OD2 ASP A 21 3.188 -12.089 4.685 1.00 0.00 O ATOM 0 H ASP A 21 1.512 -8.392 2.242 1.00 0.00 H new ATOM 0 HA ASP A 21 3.469 -8.085 4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.589 -9.565 4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.822 -10.436 3.445 1.00 0.00 H new ATOM 311 N ASN A 22 5.413 -9.207 3.318 1.00 0.00 N ATOM 312 CA ASN A 22 6.739 -9.499 2.672 1.00 0.00 C ATOM 313 C ASN A 22 6.960 -9.017 1.242 1.00 0.00 C ATOM 314 O ASN A 22 6.512 -9.623 0.256 1.00 0.00 O ATOM 315 CB ASN A 22 7.393 -10.873 2.967 1.00 0.00 C ATOM 316 CG ASN A 22 6.593 -12.107 2.619 1.00 0.00 C ATOM 317 OD1 ASN A 22 6.792 -13.149 3.216 1.00 0.00 O ATOM 318 ND2 ASN A 22 5.708 -12.021 1.684 1.00 0.00 N ATOM 0 H ASN A 22 5.508 -9.075 4.325 1.00 0.00 H new ATOM 0 HA ASN A 22 7.326 -8.798 3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.339 -10.920 2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.631 -10.913 4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.154 -12.839 1.429 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.562 -11.135 1.200 1.00 0.00 H new ATOM 325 N VAL A 23 7.734 -7.968 1.164 1.00 0.00 N ATOM 326 CA VAL A 23 8.030 -7.244 -0.055 1.00 0.00 C ATOM 327 C VAL A 23 9.500 -7.508 -0.512 1.00 0.00 C ATOM 328 O VAL A 23 10.216 -8.302 0.134 1.00 0.00 O ATOM 329 CB VAL A 23 7.829 -5.717 0.222 1.00 0.00 C ATOM 330 CG1 VAL A 23 6.374 -5.414 0.557 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.720 -5.275 1.377 1.00 0.00 C ATOM 0 H VAL A 23 8.199 -7.573 1.982 1.00 0.00 H new ATOM 0 HA VAL A 23 7.364 -7.580 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 23 8.102 -5.169 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.259 -4.347 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.740 -5.705 -0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.081 -5.973 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.574 -4.211 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.461 -5.839 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.764 -5.459 1.122 1.00 0.00 H new ATOM 341 N PRO A 24 9.930 -6.939 -1.692 1.00 0.00 N ATOM 342 CA PRO A 24 11.334 -6.936 -2.137 1.00 0.00 C ATOM 343 C PRO A 24 12.312 -6.588 -1.009 1.00 0.00 C ATOM 344 O PRO A 24 12.058 -5.686 -0.204 1.00 0.00 O ATOM 345 CB PRO A 24 11.375 -5.856 -3.239 1.00 0.00 C ATOM 346 CG PRO A 24 9.969 -5.346 -3.364 1.00 0.00 C ATOM 347 CD PRO A 24 9.084 -6.371 -2.738 1.00 0.00 C ATOM 0 HA PRO A 24 11.642 -7.923 -2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.061 -5.052 -2.973 1.00 0.00 H new ATOM 0 HB3 PRO A 24 11.725 -6.274 -4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.861 -4.384 -2.864 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.704 -5.193 -4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.178 -5.926 -2.327 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.769 -7.127 -3.458 1.00 0.00 H new ATOM 355 N GLN A 25 13.414 -7.306 -0.966 1.00 0.00 N ATOM 356 CA GLN A 25 14.380 -7.157 0.085 1.00 0.00 C ATOM 357 C GLN A 25 15.389 -6.072 -0.290 1.00 0.00 C ATOM 358 O GLN A 25 15.418 -5.617 -1.438 1.00 0.00 O ATOM 359 CB GLN A 25 15.095 -8.498 0.359 1.00 0.00 C ATOM 360 CG GLN A 25 16.192 -8.895 -0.648 1.00 0.00 C ATOM 361 CD GLN A 25 15.690 -9.155 -2.058 1.00 0.00 C ATOM 362 OE1 GLN A 25 15.344 -10.279 -2.400 1.00 0.00 O ATOM 363 NE2 GLN A 25 15.626 -8.129 -2.867 1.00 0.00 N ATOM 0 H GLN A 25 13.660 -8.009 -1.663 1.00 0.00 H new ATOM 0 HA GLN A 25 13.866 -6.858 0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.540 -8.453 1.353 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.346 -9.289 0.381 1.00 0.00 H new ATOM 0 HG2 GLN A 25 16.939 -8.102 -0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.694 -9.791 -0.284 1.00 0.00 H new ATOM 0 HE21 GLN A 25 15.923 -7.207 -2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.279 -8.251 -3.818 1.00 0.00 H new ATOM 372 N VAL A 26 16.240 -5.707 0.625 1.00 0.00 N ATOM 373 CA VAL A 26 17.176 -4.653 0.372 1.00 0.00 C ATOM 374 C VAL A 26 18.611 -5.147 0.437 1.00 0.00 C ATOM 375 O VAL A 26 18.960 -6.056 1.200 1.00 0.00 O ATOM 376 CB VAL A 26 16.987 -3.447 1.363 1.00 0.00 C ATOM 377 CG1 VAL A 26 17.252 -3.859 2.791 1.00 0.00 C ATOM 378 CG2 VAL A 26 17.872 -2.264 1.003 1.00 0.00 C ATOM 0 H VAL A 26 16.304 -6.125 1.553 1.00 0.00 H new ATOM 0 HA VAL A 26 16.972 -4.303 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 26 15.946 -3.136 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.112 -3.001 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 26 16.560 -4.651 3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.276 -4.222 2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.707 -1.456 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.918 -2.569 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.627 -1.918 -0.001 1.00 0.00 H new ATOM 388 N GLY A 27 19.380 -4.606 -0.431 1.00 0.00 N ATOM 389 CA GLY A 27 20.791 -4.680 -0.378 1.00 0.00 C ATOM 390 C GLY A 27 21.192 -3.242 -0.310 1.00 0.00 C ATOM 391 O GLY A 27 20.389 -2.416 -0.751 1.00 0.00 O ATOM 0 H GLY A 27 19.030 -4.078 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 27 21.135 -5.238 0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.204 -5.175 -1.257 1.00 0.00 H new ATOM 395 N PRO A 28 22.348 -2.877 0.218 1.00 0.00 N ATOM 396 CA PRO A 28 22.695 -1.462 0.449 1.00 0.00 C ATOM 397 C PRO A 28 22.452 -0.557 -0.752 1.00 0.00 C ATOM 398 O PRO A 28 22.944 -0.815 -1.872 1.00 0.00 O ATOM 399 CB PRO A 28 24.169 -1.534 0.763 1.00 0.00 C ATOM 400 CG PRO A 28 24.295 -2.839 1.435 1.00 0.00 C ATOM 401 CD PRO A 28 23.421 -3.771 0.656 1.00 0.00 C ATOM 0 HA PRO A 28 22.076 -1.023 1.232 1.00 0.00 H new ATOM 0 HB2 PRO A 28 24.778 -1.483 -0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 28 24.486 -0.714 1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.330 -3.181 1.439 1.00 0.00 H new ATOM 0 HG3 PRO A 28 23.976 -2.778 2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 28 23.949 -4.220 -0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 28 23.046 -4.590 1.270 1.00 0.00 H new ATOM 409 N ASP A 29 21.669 0.490 -0.483 1.00 0.00 N ATOM 410 CA ASP A 29 21.278 1.545 -1.429 1.00 0.00 C ATOM 411 C ASP A 29 20.579 0.965 -2.684 1.00 0.00 C ATOM 412 O ASP A 29 20.538 1.581 -3.747 1.00 0.00 O ATOM 413 CB ASP A 29 22.489 2.448 -1.756 1.00 0.00 C ATOM 414 CG ASP A 29 22.132 3.744 -2.474 1.00 0.00 C ATOM 415 OD1 ASP A 29 21.425 4.594 -1.898 1.00 0.00 O ATOM 416 OD2 ASP A 29 22.616 3.969 -3.594 1.00 0.00 O ATOM 0 H ASP A 29 21.270 0.635 0.444 1.00 0.00 H new ATOM 0 HA ASP A 29 20.529 2.180 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 29 23.006 2.692 -0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 29 23.190 1.886 -2.373 1.00 0.00 H new ATOM 421 N ARG A 30 19.984 -0.217 -2.536 1.00 0.00 N ATOM 422 CA ARG A 30 19.256 -0.833 -3.645 1.00 0.00 C ATOM 423 C ARG A 30 17.770 -0.589 -3.532 1.00 0.00 C ATOM 424 O ARG A 30 17.036 -0.741 -4.507 1.00 0.00 O ATOM 425 CB ARG A 30 19.514 -2.341 -3.726 1.00 0.00 C ATOM 426 CG ARG A 30 20.885 -2.736 -4.248 1.00 0.00 C ATOM 427 CD ARG A 30 21.112 -4.237 -4.103 1.00 0.00 C ATOM 428 NE ARG A 30 20.016 -5.057 -4.667 1.00 0.00 N ATOM 429 CZ ARG A 30 19.687 -6.309 -4.239 1.00 0.00 C ATOM 430 NH1 ARG A 30 20.415 -6.908 -3.291 1.00 0.00 N ATOM 431 NH2 ARG A 30 18.663 -6.973 -4.790 1.00 0.00 N ATOM 0 H ARG A 30 19.990 -0.761 -1.673 1.00 0.00 H new ATOM 0 HA ARG A 30 19.627 -0.364 -4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.384 -2.769 -2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.756 -2.789 -4.368 1.00 0.00 H new ATOM 0 HG2 ARG A 30 20.975 -2.450 -5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.657 -2.193 -3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 30 22.046 -4.505 -4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 30 21.229 -4.478 -3.047 1.00 0.00 H new ATOM 0 HE ARG A 30 19.469 -4.657 -5.429 1.00 0.00 H new ATOM 0 HH11 ARG A 30 21.219 -6.428 -2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.166 -7.845 -2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.120 -6.543 -5.538 1.00 0.00 H new ATOM 0 HH22 ARG A 30 18.426 -7.909 -4.461 1.00 0.00 H new ATOM 445 N LEU A 31 17.321 -0.172 -2.363 1.00 0.00 N ATOM 446 CA LEU A 31 15.888 -0.036 -2.130 1.00 0.00 C ATOM 447 C LEU A 31 15.384 1.266 -2.746 1.00 0.00 C ATOM 448 O LEU A 31 14.204 1.418 -3.000 1.00 0.00 O ATOM 449 CB LEU A 31 15.560 -0.099 -0.613 1.00 0.00 C ATOM 450 CG LEU A 31 14.195 -0.725 -0.171 1.00 0.00 C ATOM 451 CD1 LEU A 31 13.002 0.086 -0.635 1.00 0.00 C ATOM 452 CD2 LEU A 31 14.073 -2.161 -0.662 1.00 0.00 C ATOM 0 H LEU A 31 17.913 0.076 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 31 15.376 -0.870 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.356 -0.661 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.601 0.918 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 31 14.190 -0.715 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.083 -0.395 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.060 1.090 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.004 0.147 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.116 -2.575 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.131 -2.180 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.884 -2.758 -0.245 1.00 0.00 H new ATOM 464 N GLU A 32 16.291 2.182 -3.023 1.00 0.00 N ATOM 465 CA GLU A 32 15.924 3.476 -3.582 1.00 0.00 C ATOM 466 C GLU A 32 15.150 3.324 -4.903 1.00 0.00 C ATOM 467 O GLU A 32 14.145 4.001 -5.117 1.00 0.00 O ATOM 468 CB GLU A 32 17.142 4.374 -3.756 1.00 0.00 C ATOM 469 CG GLU A 32 16.790 5.810 -4.113 1.00 0.00 C ATOM 470 CD GLU A 32 17.994 6.681 -4.246 1.00 0.00 C ATOM 471 OE1 GLU A 32 18.591 7.058 -3.211 1.00 0.00 O ATOM 472 OE2 GLU A 32 18.376 7.007 -5.377 1.00 0.00 O ATOM 0 H GLU A 32 17.292 2.057 -2.871 1.00 0.00 H new ATOM 0 HA GLU A 32 15.258 3.959 -2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 32 17.722 4.369 -2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.781 3.960 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.233 5.821 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.133 6.220 -3.346 1.00 0.00 H new ATOM 479 N LYS A 33 15.587 2.425 -5.775 1.00 0.00 N ATOM 480 CA LYS A 33 14.842 2.191 -7.011 1.00 0.00 C ATOM 481 C LYS A 33 13.625 1.320 -6.739 1.00 0.00 C ATOM 482 O LYS A 33 12.588 1.454 -7.390 1.00 0.00 O ATOM 483 CB LYS A 33 15.706 1.564 -8.125 1.00 0.00 C ATOM 484 CG LYS A 33 16.285 0.187 -7.809 1.00 0.00 C ATOM 485 CD LYS A 33 16.948 -0.428 -9.037 1.00 0.00 C ATOM 486 CE LYS A 33 18.146 0.380 -9.523 1.00 0.00 C ATOM 487 NZ LYS A 33 18.691 -0.163 -10.780 1.00 0.00 N ATOM 0 H LYS A 33 16.428 1.859 -5.659 1.00 0.00 H new ATOM 0 HA LYS A 33 14.520 3.168 -7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.102 1.487 -9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.529 2.243 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.014 0.272 -7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.492 -0.471 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.270 -1.442 -8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.216 -0.504 -9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.849 1.418 -9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.922 0.377 -8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.504 0.410 -11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.997 -1.146 -10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.957 -0.137 -11.516 1.00 0.00 H new ATOM 501 N LEU A 34 13.740 0.466 -5.739 1.00 0.00 N ATOM 502 CA LEU A 34 12.678 -0.453 -5.396 1.00 0.00 C ATOM 503 C LEU A 34 11.477 0.281 -4.809 1.00 0.00 C ATOM 504 O LEU A 34 10.363 -0.175 -4.928 1.00 0.00 O ATOM 505 CB LEU A 34 13.182 -1.571 -4.474 1.00 0.00 C ATOM 506 CG LEU A 34 14.288 -2.472 -5.068 1.00 0.00 C ATOM 507 CD1 LEU A 34 14.748 -3.514 -4.063 1.00 0.00 C ATOM 508 CD2 LEU A 34 13.811 -3.151 -6.348 1.00 0.00 C ATOM 0 H LEU A 34 14.567 0.392 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 34 12.339 -0.930 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.559 -1.120 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.335 -2.199 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 34 15.136 -1.831 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.526 -4.132 -4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.144 -3.016 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 34 13.904 -4.142 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.608 -3.779 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.938 -3.767 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.545 -2.393 -7.085 1.00 0.00 H new ATOM 520 N LYS A 35 11.724 1.432 -4.196 1.00 0.00 N ATOM 521 CA LYS A 35 10.654 2.310 -3.709 1.00 0.00 C ATOM 522 C LYS A 35 9.755 2.740 -4.868 1.00 0.00 C ATOM 523 O LYS A 35 8.540 2.764 -4.762 1.00 0.00 O ATOM 524 CB LYS A 35 11.240 3.593 -3.094 1.00 0.00 C ATOM 525 CG LYS A 35 11.907 3.488 -1.723 1.00 0.00 C ATOM 526 CD LYS A 35 10.901 3.195 -0.622 1.00 0.00 C ATOM 527 CE LYS A 35 11.396 3.669 0.747 1.00 0.00 C ATOM 528 NZ LYS A 35 12.675 3.050 1.181 1.00 0.00 N ATOM 0 H LYS A 35 12.664 1.786 -4.021 1.00 0.00 H new ATOM 0 HA LYS A 35 10.090 1.751 -2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.974 3.994 -3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.436 4.326 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.660 2.700 -1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.427 4.420 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.955 3.684 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.705 2.123 -0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.520 4.752 0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.630 3.454 1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.063 3.582 1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.504 2.065 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.354 3.069 0.394 1.00 0.00 H new ATOM 542 N ASN A 36 10.373 3.016 -5.989 1.00 0.00 N ATOM 543 CA ASN A 36 9.680 3.606 -7.107 1.00 0.00 C ATOM 544 C ASN A 36 8.987 2.553 -7.938 1.00 0.00 C ATOM 545 O ASN A 36 7.940 2.808 -8.543 1.00 0.00 O ATOM 546 CB ASN A 36 10.663 4.447 -7.941 1.00 0.00 C ATOM 547 CG ASN A 36 10.026 5.143 -9.130 1.00 0.00 C ATOM 548 OD1 ASN A 36 10.018 4.613 -10.239 1.00 0.00 O ATOM 549 ND2 ASN A 36 9.481 6.316 -8.906 1.00 0.00 N ATOM 0 H ASN A 36 11.364 2.840 -6.152 1.00 0.00 H new ATOM 0 HA ASN A 36 8.899 4.268 -6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.121 5.197 -7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.465 3.801 -8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.029 6.822 -9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.509 6.721 -7.970 1.00 0.00 H new ATOM 556 N VAL A 37 9.534 1.350 -7.927 1.00 0.00 N ATOM 557 CA VAL A 37 8.959 0.285 -8.700 1.00 0.00 C ATOM 558 C VAL A 37 7.619 -0.160 -8.085 1.00 0.00 C ATOM 559 O VAL A 37 6.693 -0.513 -8.810 1.00 0.00 O ATOM 560 CB VAL A 37 9.938 -0.921 -8.895 1.00 0.00 C ATOM 561 CG1 VAL A 37 10.113 -1.763 -7.642 1.00 0.00 C ATOM 562 CG2 VAL A 37 9.518 -1.770 -10.071 1.00 0.00 C ATOM 0 H VAL A 37 10.366 1.097 -7.395 1.00 0.00 H new ATOM 0 HA VAL A 37 8.768 0.676 -9.699 1.00 0.00 H new ATOM 0 HB VAL A 37 10.917 -0.491 -9.106 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.804 -2.581 -7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.513 -1.143 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.148 -2.170 -7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.213 -2.601 -10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.514 -2.158 -9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.523 -1.164 -10.977 1.00 0.00 H new ATOM 572 N ILE A 38 7.513 -0.077 -6.746 1.00 0.00 N ATOM 573 CA ILE A 38 6.280 -0.426 -6.035 1.00 0.00 C ATOM 574 C ILE A 38 5.151 0.456 -6.522 1.00 0.00 C ATOM 575 O ILE A 38 4.120 -0.033 -6.968 1.00 0.00 O ATOM 576 CB ILE A 38 6.403 -0.197 -4.508 1.00 0.00 C ATOM 577 CG1 ILE A 38 7.611 -0.899 -3.914 1.00 0.00 C ATOM 578 CG2 ILE A 38 5.139 -0.653 -3.791 1.00 0.00 C ATOM 579 CD1 ILE A 38 7.619 -2.398 -4.109 1.00 0.00 C ATOM 0 H ILE A 38 8.272 0.230 -6.138 1.00 0.00 H new ATOM 0 HA ILE A 38 6.090 -1.481 -6.230 1.00 0.00 H new ATOM 0 HB ILE A 38 6.537 0.875 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.514 -0.482 -4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.653 -0.683 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.247 -0.483 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.285 -0.087 -4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.979 -1.715 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.516 -2.819 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.736 -2.831 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.611 -2.626 -5.175 1.00 0.00 H new ATOM 591 N HIS A 39 5.396 1.756 -6.475 1.00 0.00 N ATOM 592 CA HIS A 39 4.433 2.782 -6.865 1.00 0.00 C ATOM 593 C HIS A 39 3.906 2.517 -8.292 1.00 0.00 C ATOM 594 O HIS A 39 2.732 2.727 -8.583 1.00 0.00 O ATOM 595 CB HIS A 39 5.112 4.173 -6.745 1.00 0.00 C ATOM 596 CG HIS A 39 4.219 5.377 -6.965 1.00 0.00 C ATOM 597 ND1 HIS A 39 3.752 6.201 -5.947 1.00 0.00 N ATOM 598 CD2 HIS A 39 3.762 5.922 -8.116 1.00 0.00 C ATOM 599 CE1 HIS A 39 3.054 7.187 -6.502 1.00 0.00 C ATOM 600 NE2 HIS A 39 3.026 7.067 -7.826 1.00 0.00 N ATOM 0 H HIS A 39 6.287 2.138 -6.159 1.00 0.00 H new ATOM 0 HA HIS A 39 3.568 2.757 -6.202 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.555 4.253 -5.752 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.930 4.218 -7.464 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.916 6.072 -4.949 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.941 5.529 -9.106 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.573 7.981 -5.950 1.00 0.00 H new ATOM 608 N LYS A 40 4.771 2.009 -9.153 1.00 0.00 N ATOM 609 CA LYS A 40 4.399 1.700 -10.511 1.00 0.00 C ATOM 610 C LYS A 40 3.654 0.373 -10.640 1.00 0.00 C ATOM 611 O LYS A 40 2.661 0.292 -11.369 1.00 0.00 O ATOM 612 CB LYS A 40 5.614 1.754 -11.394 1.00 0.00 C ATOM 613 CG LYS A 40 6.174 3.146 -11.448 1.00 0.00 C ATOM 614 CD LYS A 40 7.439 3.220 -12.242 1.00 0.00 C ATOM 615 CE LYS A 40 7.853 4.664 -12.405 1.00 0.00 C ATOM 616 NZ LYS A 40 9.130 4.830 -13.123 1.00 0.00 N ATOM 0 H LYS A 40 5.744 1.802 -8.926 1.00 0.00 H new ATOM 0 HA LYS A 40 3.690 2.458 -10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.372 1.067 -11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.353 1.423 -12.399 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.434 3.816 -11.885 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.363 3.498 -10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.228 2.660 -11.740 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.294 2.760 -13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.071 5.200 -12.942 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.936 5.124 -11.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.117 5.725 -13.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.914 4.843 -12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.262 4.039 -13.785 1.00 0.00 H new ATOM 630 N ILE A 41 4.105 -0.657 -9.934 1.00 0.00 N ATOM 631 CA ILE A 41 3.426 -1.964 -9.967 1.00 0.00 C ATOM 632 C ILE A 41 2.040 -1.834 -9.370 1.00 0.00 C ATOM 633 O ILE A 41 1.051 -2.317 -9.914 1.00 0.00 O ATOM 634 CB ILE A 41 4.201 -3.058 -9.170 1.00 0.00 C ATOM 635 CG1 ILE A 41 5.596 -3.312 -9.770 1.00 0.00 C ATOM 636 CG2 ILE A 41 3.390 -4.360 -9.078 1.00 0.00 C ATOM 637 CD1 ILE A 41 5.591 -3.758 -11.217 1.00 0.00 C ATOM 0 H ILE A 41 4.929 -0.622 -9.334 1.00 0.00 H new ATOM 0 HA ILE A 41 3.378 -2.270 -11.012 1.00 0.00 H new ATOM 0 HB ILE A 41 4.344 -2.683 -8.156 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.184 -2.398 -9.688 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.101 -4.070 -9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.957 -5.103 -8.517 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.445 -4.165 -8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.192 -4.737 -10.081 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.616 -3.912 -11.554 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.035 -4.691 -11.308 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.119 -2.992 -11.832 1.00 0.00 H new ATOM 649 N PHE A 42 1.969 -1.121 -8.288 1.00 0.00 N ATOM 650 CA PHE A 42 0.739 -0.959 -7.562 1.00 0.00 C ATOM 651 C PHE A 42 -0.193 0.027 -8.236 1.00 0.00 C ATOM 652 O PHE A 42 -1.344 0.162 -7.853 1.00 0.00 O ATOM 653 CB PHE A 42 1.014 -0.587 -6.118 1.00 0.00 C ATOM 654 CG PHE A 42 1.454 -1.734 -5.257 1.00 0.00 C ATOM 655 CD1 PHE A 42 2.677 -2.353 -5.441 1.00 0.00 C ATOM 656 CD2 PHE A 42 0.646 -2.170 -4.243 1.00 0.00 C ATOM 657 CE1 PHE A 42 3.076 -3.388 -4.623 1.00 0.00 C ATOM 658 CE2 PHE A 42 1.029 -3.194 -3.423 1.00 0.00 C ATOM 659 CZ PHE A 42 2.251 -3.809 -3.606 1.00 0.00 C ATOM 0 H PHE A 42 2.765 -0.631 -7.879 1.00 0.00 H new ATOM 0 HA PHE A 42 0.222 -1.919 -7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.783 0.185 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.111 -0.152 -5.689 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.328 -2.021 -6.236 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.312 -1.696 -4.088 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.032 -3.866 -4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.374 -3.523 -2.630 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.557 -4.615 -2.955 1.00 0.00 H new ATOM 669 N SER A 43 0.291 0.677 -9.273 1.00 0.00 N ATOM 670 CA SER A 43 -0.519 1.584 -10.047 1.00 0.00 C ATOM 671 C SER A 43 -1.524 0.778 -10.910 1.00 0.00 C ATOM 672 O SER A 43 -2.415 1.340 -11.544 1.00 0.00 O ATOM 673 CB SER A 43 0.367 2.508 -10.912 1.00 0.00 C ATOM 674 OG SER A 43 -0.396 3.522 -11.572 1.00 0.00 O ATOM 0 H SER A 43 1.253 0.590 -9.600 1.00 0.00 H new ATOM 0 HA SER A 43 -1.086 2.225 -9.372 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.124 2.976 -10.283 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.895 1.911 -11.655 1.00 0.00 H new ATOM 0 HG SER A 43 -1.330 3.234 -11.643 1.00 0.00 H new ATOM 680 N LYS A 44 -1.383 -0.543 -10.905 1.00 0.00 N ATOM 681 CA LYS A 44 -2.322 -1.408 -11.593 1.00 0.00 C ATOM 682 C LYS A 44 -3.654 -1.436 -10.853 1.00 0.00 C ATOM 683 O LYS A 44 -4.701 -1.636 -11.452 1.00 0.00 O ATOM 684 CB LYS A 44 -1.772 -2.828 -11.713 1.00 0.00 C ATOM 685 CG LYS A 44 -0.523 -2.965 -12.581 1.00 0.00 C ATOM 686 CD LYS A 44 -0.767 -2.557 -14.033 1.00 0.00 C ATOM 687 CE LYS A 44 -1.873 -3.385 -14.688 1.00 0.00 C ATOM 688 NZ LYS A 44 -1.595 -4.838 -14.650 1.00 0.00 N ATOM 0 H LYS A 44 -0.625 -1.034 -10.431 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.474 -1.008 -12.596 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.544 -3.199 -10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.552 -3.470 -12.121 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.274 -2.349 -12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.176 -3.998 -12.551 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.035 -1.501 -14.072 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.156 -2.673 -14.601 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.818 -3.186 -14.183 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.993 -3.069 -15.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.312 -5.343 -15.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.653 -5.022 -15.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.625 -5.171 -13.665 1.00 0.00 H new ATOM 702 N PHE A 45 -3.606 -1.224 -9.548 1.00 0.00 N ATOM 703 CA PHE A 45 -4.822 -1.237 -8.733 1.00 0.00 C ATOM 704 C PHE A 45 -5.500 0.135 -8.735 1.00 0.00 C ATOM 705 O PHE A 45 -6.674 0.272 -8.363 1.00 0.00 O ATOM 706 CB PHE A 45 -4.509 -1.671 -7.297 1.00 0.00 C ATOM 707 CG PHE A 45 -3.849 -3.019 -7.203 1.00 0.00 C ATOM 708 CD1 PHE A 45 -4.589 -4.182 -7.357 1.00 0.00 C ATOM 709 CD2 PHE A 45 -2.488 -3.122 -6.954 1.00 0.00 C ATOM 710 CE1 PHE A 45 -3.983 -5.420 -7.271 1.00 0.00 C ATOM 711 CE2 PHE A 45 -1.876 -4.357 -6.867 1.00 0.00 C ATOM 712 CZ PHE A 45 -2.626 -5.509 -7.024 1.00 0.00 C ATOM 0 H PHE A 45 -2.748 -1.042 -9.028 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.509 -1.959 -9.173 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.861 -0.926 -6.835 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.435 -1.689 -6.722 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.650 -4.119 -7.546 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.900 -2.225 -6.827 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.569 -6.318 -7.397 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.815 -4.423 -6.677 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.152 -6.477 -6.954 1.00 0.00 H new ATOM 722 N GLY A 46 -4.775 1.137 -9.167 1.00 0.00 N ATOM 723 CA GLY A 46 -5.294 2.471 -9.201 1.00 0.00 C ATOM 724 C GLY A 46 -4.179 3.463 -9.140 1.00 0.00 C ATOM 725 O GLY A 46 -3.028 3.108 -9.373 1.00 0.00 O ATOM 0 H GLY A 46 -3.816 1.047 -9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.873 2.620 -10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.974 2.626 -8.363 1.00 0.00 H new ATOM 729 N LYS A 47 -4.482 4.679 -8.825 1.00 0.00 N ATOM 730 CA LYS A 47 -3.452 5.668 -8.718 1.00 0.00 C ATOM 731 C LYS A 47 -3.072 5.766 -7.268 1.00 0.00 C ATOM 732 O LYS A 47 -3.950 5.943 -6.401 1.00 0.00 O ATOM 733 CB LYS A 47 -3.920 7.041 -9.226 1.00 0.00 C ATOM 734 CG LYS A 47 -2.780 8.044 -9.423 1.00 0.00 C ATOM 735 CD LYS A 47 -3.297 9.418 -9.814 1.00 0.00 C ATOM 736 CE LYS A 47 -2.168 10.370 -10.219 1.00 0.00 C ATOM 737 NZ LYS A 47 -1.133 10.527 -9.169 1.00 0.00 N ATOM 0 H LYS A 47 -5.427 5.014 -8.638 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.603 5.373 -9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.444 6.909 -10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.639 7.455 -8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.202 8.122 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.103 7.677 -10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.999 9.318 -10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.849 9.847 -8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.699 10.000 -11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.591 11.347 -10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.433 11.233 -9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.581 10.842 -8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.658 9.615 -9.011 1.00 0.00 H new ATOM 751 N ILE A 48 -1.798 5.681 -6.992 1.00 0.00 N ATOM 752 CA ILE A 48 -1.308 5.730 -5.662 1.00 0.00 C ATOM 753 C ILE A 48 -1.443 7.163 -5.208 1.00 0.00 C ATOM 754 O ILE A 48 -0.775 8.057 -5.725 1.00 0.00 O ATOM 755 CB ILE A 48 0.198 5.377 -5.625 1.00 0.00 C ATOM 756 CG1 ILE A 48 0.522 4.088 -6.407 1.00 0.00 C ATOM 757 CG2 ILE A 48 0.684 5.266 -4.195 1.00 0.00 C ATOM 758 CD1 ILE A 48 -0.079 2.841 -5.842 1.00 0.00 C ATOM 0 H ILE A 48 -1.072 5.575 -7.700 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.858 5.028 -5.035 1.00 0.00 H new ATOM 0 HB ILE A 48 0.727 6.192 -6.119 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.177 4.207 -7.434 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.605 3.967 -6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.745 5.017 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.532 6.217 -3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.125 4.484 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.204 1.988 -6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.285 2.690 -4.826 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.165 2.934 -5.829 1.00 0.00 H new ATOM 770 N THR A 49 -2.352 7.382 -4.314 1.00 0.00 N ATOM 771 CA THR A 49 -2.608 8.683 -3.809 1.00 0.00 C ATOM 772 C THR A 49 -1.581 8.985 -2.725 1.00 0.00 C ATOM 773 O THR A 49 -0.915 10.023 -2.756 1.00 0.00 O ATOM 774 CB THR A 49 -4.041 8.729 -3.268 1.00 0.00 C ATOM 775 OG1 THR A 49 -4.903 8.176 -4.282 1.00 0.00 O ATOM 776 CG2 THR A 49 -4.474 10.160 -2.969 1.00 0.00 C ATOM 0 H THR A 49 -2.941 6.652 -3.913 1.00 0.00 H new ATOM 0 HA THR A 49 -2.519 9.440 -4.588 1.00 0.00 H new ATOM 0 HB THR A 49 -4.098 8.162 -2.339 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.788 8.591 -4.221 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.495 10.159 -2.587 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.808 10.593 -2.223 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.429 10.752 -3.883 1.00 0.00 H new ATOM 784 N ASN A 50 -1.412 8.051 -1.810 1.00 0.00 N ATOM 785 CA ASN A 50 -0.404 8.169 -0.772 1.00 0.00 C ATOM 786 C ASN A 50 0.286 6.836 -0.694 1.00 0.00 C ATOM 787 O ASN A 50 -0.363 5.798 -0.893 1.00 0.00 O ATOM 788 CB ASN A 50 -0.990 8.460 0.641 1.00 0.00 C ATOM 789 CG ASN A 50 -1.948 9.633 0.749 1.00 0.00 C ATOM 790 OD1 ASN A 50 -1.881 10.601 -0.004 1.00 0.00 O ATOM 791 ND2 ASN A 50 -2.825 9.569 1.714 1.00 0.00 N ATOM 0 H ASN A 50 -1.964 7.195 -1.764 1.00 0.00 H new ATOM 0 HA ASN A 50 0.248 9.002 -1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.507 7.565 0.987 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.160 8.634 1.326 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.480 10.337 1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.855 8.751 2.322 1.00 0.00 H new ATOM 798 N ASP A 51 1.557 6.830 -0.440 1.00 0.00 N ATOM 799 CA ASP A 51 2.264 5.580 -0.259 1.00 0.00 C ATOM 800 C ASP A 51 3.202 5.663 0.891 1.00 0.00 C ATOM 801 O ASP A 51 3.936 6.652 1.062 1.00 0.00 O ATOM 802 CB ASP A 51 2.959 5.021 -1.534 1.00 0.00 C ATOM 803 CG ASP A 51 4.040 5.895 -2.170 1.00 0.00 C ATOM 804 OD1 ASP A 51 5.210 5.874 -1.702 1.00 0.00 O ATOM 805 OD2 ASP A 51 3.756 6.558 -3.187 1.00 0.00 O ATOM 0 H ASP A 51 2.133 7.667 -0.352 1.00 0.00 H new ATOM 0 HA ASP A 51 1.491 4.845 -0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.405 4.058 -1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.191 4.831 -2.284 1.00 0.00 H new ATOM 810 N PHE A 52 3.152 4.664 1.719 1.00 0.00 N ATOM 811 CA PHE A 52 3.984 4.615 2.881 1.00 0.00 C ATOM 812 C PHE A 52 4.753 3.344 2.879 1.00 0.00 C ATOM 813 O PHE A 52 4.218 2.268 3.190 1.00 0.00 O ATOM 814 CB PHE A 52 3.154 4.719 4.170 1.00 0.00 C ATOM 815 CG PHE A 52 2.395 5.998 4.298 1.00 0.00 C ATOM 816 CD1 PHE A 52 2.986 7.107 4.864 1.00 0.00 C ATOM 817 CD2 PHE A 52 1.094 6.095 3.841 1.00 0.00 C ATOM 818 CE1 PHE A 52 2.296 8.288 4.975 1.00 0.00 C ATOM 819 CE2 PHE A 52 0.402 7.274 3.948 1.00 0.00 C ATOM 820 CZ PHE A 52 1.004 8.373 4.516 1.00 0.00 C ATOM 0 H PHE A 52 2.533 3.861 1.608 1.00 0.00 H new ATOM 0 HA PHE A 52 4.666 5.465 2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.452 3.886 4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.818 4.614 5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.002 7.046 5.224 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.618 5.234 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.768 9.150 5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.614 7.340 3.587 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.461 9.303 4.601 1.00 0.00 H new ATOM 830 N TYR A 53 5.960 3.424 2.427 1.00 0.00 N ATOM 831 CA TYR A 53 6.829 2.308 2.502 1.00 0.00 C ATOM 832 C TYR A 53 7.839 2.655 3.547 1.00 0.00 C ATOM 833 O TYR A 53 8.708 3.511 3.298 1.00 0.00 O ATOM 834 CB TYR A 53 7.560 2.032 1.177 1.00 0.00 C ATOM 835 CG TYR A 53 6.721 2.138 -0.084 1.00 0.00 C ATOM 836 CD1 TYR A 53 5.370 1.810 -0.109 1.00 0.00 C ATOM 837 CD2 TYR A 53 7.291 2.606 -1.241 1.00 0.00 C ATOM 838 CE1 TYR A 53 4.631 1.947 -1.255 1.00 0.00 C ATOM 839 CE2 TYR A 53 6.566 2.754 -2.383 1.00 0.00 C ATOM 840 CZ TYR A 53 5.235 2.426 -2.395 1.00 0.00 C ATOM 841 OH TYR A 53 4.496 2.588 -3.545 1.00 0.00 O ATOM 0 H TYR A 53 6.364 4.257 2.000 1.00 0.00 H new ATOM 0 HA TYR A 53 6.255 1.410 2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.394 2.729 1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.986 1.030 1.222 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.896 1.442 0.789 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.340 2.863 -1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 53 3.584 1.681 -1.263 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.039 3.129 -3.279 1.00 0.00 H new ATOM 0 HH TYR A 53 4.645 3.487 -3.906 1.00 0.00 H new ATOM 851 N PRO A 54 7.743 2.083 4.725 1.00 0.00 N ATOM 852 CA PRO A 54 8.695 2.357 5.754 1.00 0.00 C ATOM 853 C PRO A 54 9.913 1.488 5.589 1.00 0.00 C ATOM 854 O PRO A 54 9.936 0.601 4.773 1.00 0.00 O ATOM 855 CB PRO A 54 7.961 1.989 7.029 1.00 0.00 C ATOM 856 CG PRO A 54 7.017 0.902 6.627 1.00 0.00 C ATOM 857 CD PRO A 54 6.697 1.131 5.168 1.00 0.00 C ATOM 0 HA PRO A 54 9.043 3.390 5.743 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.653 1.647 7.799 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.426 2.846 7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.468 -0.079 6.776 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.111 0.931 7.232 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.734 0.202 4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.697 1.545 5.037 1.00 0.00 H new ATOM 865 N GLU A 55 10.896 1.765 6.330 1.00 0.00 N ATOM 866 CA GLU A 55 12.064 1.017 6.368 1.00 0.00 C ATOM 867 C GLU A 55 12.414 0.966 7.811 1.00 0.00 C ATOM 868 O GLU A 55 11.884 1.774 8.593 1.00 0.00 O ATOM 869 CB GLU A 55 13.120 1.729 5.587 1.00 0.00 C ATOM 870 CG GLU A 55 13.801 0.868 4.574 1.00 0.00 C ATOM 871 CD GLU A 55 12.853 0.197 3.573 1.00 0.00 C ATOM 872 OE1 GLU A 55 12.501 0.817 2.530 1.00 0.00 O ATOM 873 OE2 GLU A 55 12.460 -0.968 3.794 1.00 0.00 O ATOM 0 H GLU A 55 10.906 2.566 6.962 1.00 0.00 H new ATOM 0 HA GLU A 55 11.962 0.020 5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.671 2.584 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.866 2.123 6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.520 1.475 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.367 0.095 5.094 1.00 0.00 H new ATOM 936 N THR A 60 15.142 -3.618 5.186 1.00 0.00 N ATOM 937 CA THR A 60 13.842 -3.630 4.633 1.00 0.00 C ATOM 938 C THR A 60 12.777 -4.010 5.632 1.00 0.00 C ATOM 939 O THR A 60 12.972 -4.845 6.546 1.00 0.00 O ATOM 940 CB THR A 60 13.726 -4.538 3.365 1.00 0.00 C ATOM 941 OG1 THR A 60 12.399 -4.423 2.778 1.00 0.00 O ATOM 942 CG2 THR A 60 13.992 -6.001 3.723 1.00 0.00 C ATOM 0 HA THR A 60 13.666 -2.598 4.329 1.00 0.00 H new ATOM 0 HB THR A 60 14.472 -4.204 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.754 -4.915 3.328 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.906 -6.616 2.827 1.00 0.00 H new ATOM 0 HG22 THR A 60 14.996 -6.098 4.135 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.263 -6.333 4.462 1.00 0.00 H new ATOM 950 N LYS A 61 11.703 -3.328 5.473 1.00 0.00 N ATOM 951 CA LYS A 61 10.415 -3.602 6.067 1.00 0.00 C ATOM 952 C LYS A 61 9.933 -5.005 5.629 1.00 0.00 C ATOM 953 O LYS A 61 10.542 -5.667 4.754 1.00 0.00 O ATOM 954 CB LYS A 61 9.473 -2.604 5.424 1.00 0.00 C ATOM 955 CG LYS A 61 9.544 -2.775 3.911 1.00 0.00 C ATOM 956 CD LYS A 61 9.049 -1.615 3.140 1.00 0.00 C ATOM 957 CE LYS A 61 9.627 -1.659 1.733 1.00 0.00 C ATOM 958 NZ LYS A 61 11.107 -1.867 1.758 1.00 0.00 N ATOM 0 H LYS A 61 11.683 -2.497 4.882 1.00 0.00 H new ATOM 0 HA LYS A 61 10.455 -3.545 7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.454 -2.765 5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.750 -1.588 5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.579 -2.969 3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.966 -3.656 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.960 -1.630 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.336 -0.687 3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.154 -2.463 1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.398 -0.728 1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.507 -1.626 0.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.531 -1.258 2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.314 -2.863 1.976 1.00 0.00 H new ATOM 972 N GLY A 62 8.825 -5.399 6.155 1.00 0.00 N ATOM 973 CA GLY A 62 8.217 -6.635 5.754 1.00 0.00 C ATOM 974 C GLY A 62 6.774 -6.404 5.443 1.00 0.00 C ATOM 975 O GLY A 62 5.965 -7.329 5.455 1.00 0.00 O ATOM 0 H GLY A 62 8.312 -4.883 6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.728 -7.037 4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.315 -7.375 6.548 1.00 0.00 H new ATOM 979 N TYR A 63 6.455 -5.152 5.169 1.00 0.00 N ATOM 980 CA TYR A 63 5.105 -4.713 4.913 1.00 0.00 C ATOM 981 C TYR A 63 5.151 -3.294 4.381 1.00 0.00 C ATOM 982 O TYR A 63 6.162 -2.610 4.561 1.00 0.00 O ATOM 983 CB TYR A 63 4.271 -4.756 6.219 1.00 0.00 C ATOM 984 CG TYR A 63 4.830 -3.881 7.338 1.00 0.00 C ATOM 985 CD1 TYR A 63 5.775 -4.383 8.223 1.00 0.00 C ATOM 986 CD2 TYR A 63 4.436 -2.559 7.485 1.00 0.00 C ATOM 987 CE1 TYR A 63 6.309 -3.598 9.222 1.00 0.00 C ATOM 988 CE2 TYR A 63 4.974 -1.762 8.480 1.00 0.00 C ATOM 989 CZ TYR A 63 5.909 -2.289 9.345 1.00 0.00 C ATOM 990 OH TYR A 63 6.459 -1.499 10.326 1.00 0.00 O ATOM 0 H TYR A 63 7.144 -4.401 5.118 1.00 0.00 H new ATOM 0 HA TYR A 63 4.637 -5.373 4.182 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.252 -4.440 5.998 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.216 -5.787 6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.098 -5.409 8.127 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.698 -2.146 6.813 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.038 -4.009 9.905 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.663 -0.732 8.578 1.00 0.00 H new ATOM 0 HH TYR A 63 6.071 -0.600 10.278 1.00 0.00 H new ATOM 1000 N ILE A 64 4.091 -2.873 3.727 1.00 0.00 N ATOM 1001 CA ILE A 64 3.936 -1.507 3.219 1.00 0.00 C ATOM 1002 C ILE A 64 2.467 -1.132 3.284 1.00 0.00 C ATOM 1003 O ILE A 64 1.614 -2.000 3.547 1.00 0.00 O ATOM 1004 CB ILE A 64 4.413 -1.321 1.743 1.00 0.00 C ATOM 1005 CG1 ILE A 64 3.678 -2.271 0.811 1.00 0.00 C ATOM 1006 CG2 ILE A 64 5.915 -1.461 1.603 1.00 0.00 C ATOM 1007 CD1 ILE A 64 4.058 -2.143 -0.650 1.00 0.00 C ATOM 0 H ILE A 64 3.292 -3.473 3.524 1.00 0.00 H new ATOM 0 HA ILE A 64 4.563 -0.870 3.844 1.00 0.00 H new ATOM 0 HB ILE A 64 4.166 -0.300 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.868 -3.295 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.606 -2.099 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.198 -1.324 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.409 -0.707 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.220 -2.454 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.484 -2.859 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.841 -1.132 -0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.122 -2.346 -0.768 1.00 0.00 H new ATOM 1019 N PHE A 65 2.179 0.125 3.016 1.00 0.00 N ATOM 1020 CA PHE A 65 0.825 0.650 3.022 1.00 0.00 C ATOM 1021 C PHE A 65 0.604 1.495 1.782 1.00 0.00 C ATOM 1022 O PHE A 65 1.481 2.280 1.376 1.00 0.00 O ATOM 1023 CB PHE A 65 0.546 1.494 4.280 1.00 0.00 C ATOM 1024 CG PHE A 65 0.617 0.733 5.575 1.00 0.00 C ATOM 1025 CD1 PHE A 65 -0.497 0.072 6.065 1.00 0.00 C ATOM 1026 CD2 PHE A 65 1.795 0.682 6.301 1.00 0.00 C ATOM 1027 CE1 PHE A 65 -0.438 -0.626 7.253 1.00 0.00 C ATOM 1028 CE2 PHE A 65 1.860 -0.016 7.488 1.00 0.00 C ATOM 1029 CZ PHE A 65 0.742 -0.671 7.965 1.00 0.00 C ATOM 0 H PHE A 65 2.887 0.822 2.784 1.00 0.00 H new ATOM 0 HA PHE A 65 0.137 -0.195 3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.262 2.315 4.317 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.445 1.940 4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.423 0.104 5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.672 1.194 5.934 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.314 -1.136 7.625 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.785 -0.050 8.045 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.792 -1.218 8.895 1.00 0.00 H new ATOM 1039 N LEU A 66 -0.535 1.316 1.182 1.00 0.00 N ATOM 1040 CA LEU A 66 -0.915 2.019 -0.028 1.00 0.00 C ATOM 1041 C LEU A 66 -2.225 2.714 0.228 1.00 0.00 C ATOM 1042 O LEU A 66 -3.091 2.137 0.876 1.00 0.00 O ATOM 1043 CB LEU A 66 -1.174 1.030 -1.195 1.00 0.00 C ATOM 1044 CG LEU A 66 -0.026 0.212 -1.824 1.00 0.00 C ATOM 1045 CD1 LEU A 66 1.010 1.079 -2.501 1.00 0.00 C ATOM 1046 CD2 LEU A 66 0.611 -0.760 -0.847 1.00 0.00 C ATOM 0 H LEU A 66 -1.246 0.667 1.519 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.110 2.705 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.919 0.315 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.634 1.603 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.494 -0.388 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.792 0.448 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.538 1.656 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.448 1.759 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.411 -1.306 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.021 -0.209 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.141 -1.464 -0.491 1.00 0.00 H new ATOM 1058 N GLU A 67 -2.367 3.927 -0.241 1.00 0.00 N ATOM 1059 CA GLU A 67 -3.641 4.605 -0.186 1.00 0.00 C ATOM 1060 C GLU A 67 -4.011 5.085 -1.558 1.00 0.00 C ATOM 1061 O GLU A 67 -3.192 5.716 -2.246 1.00 0.00 O ATOM 1062 CB GLU A 67 -3.660 5.787 0.775 1.00 0.00 C ATOM 1063 CG GLU A 67 -3.462 5.443 2.236 1.00 0.00 C ATOM 1064 CD GLU A 67 -3.684 6.640 3.119 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -4.842 6.926 3.479 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -2.716 7.337 3.463 1.00 0.00 O ATOM 0 H GLU A 67 -1.615 4.469 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.363 3.879 0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.881 6.488 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.613 6.305 0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.151 4.647 2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.453 5.060 2.387 1.00 0.00 H new ATOM 1073 N TYR A 68 -5.208 4.787 -1.977 1.00 0.00 N ATOM 1074 CA TYR A 68 -5.694 5.226 -3.268 1.00 0.00 C ATOM 1075 C TYR A 68 -7.013 5.964 -3.064 1.00 0.00 C ATOM 1076 O TYR A 68 -7.574 5.953 -1.966 1.00 0.00 O ATOM 1077 CB TYR A 68 -6.000 4.046 -4.198 1.00 0.00 C ATOM 1078 CG TYR A 68 -4.928 3.001 -4.438 1.00 0.00 C ATOM 1079 CD1 TYR A 68 -4.604 2.053 -3.469 1.00 0.00 C ATOM 1080 CD2 TYR A 68 -4.291 2.922 -5.651 1.00 0.00 C ATOM 1081 CE1 TYR A 68 -3.678 1.084 -3.719 1.00 0.00 C ATOM 1082 CE2 TYR A 68 -3.371 1.943 -5.907 1.00 0.00 C ATOM 1083 CZ TYR A 68 -3.068 1.028 -4.934 1.00 0.00 C ATOM 1084 OH TYR A 68 -2.158 0.046 -5.184 1.00 0.00 O ATOM 0 H TYR A 68 -5.878 4.235 -1.441 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.920 5.851 -3.713 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.876 3.533 -3.801 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.282 4.456 -5.168 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.093 2.086 -2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.521 3.647 -6.418 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -3.429 0.363 -2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.886 1.892 -6.871 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.921 0.054 -6.135 1.00 0.00 H new ATOM 1094 N ALA A 69 -7.493 6.588 -4.109 1.00 0.00 N ATOM 1095 CA ALA A 69 -8.807 7.233 -4.136 1.00 0.00 C ATOM 1096 C ALA A 69 -9.633 6.553 -5.226 1.00 0.00 C ATOM 1097 O ALA A 69 -10.675 7.039 -5.662 1.00 0.00 O ATOM 1098 CB ALA A 69 -8.652 8.720 -4.419 1.00 0.00 C ATOM 0 H ALA A 69 -6.982 6.671 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.308 7.133 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.635 9.191 -4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.044 9.178 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.166 8.858 -5.385 1.00 0.00 H new ATOM 1104 N SER A 70 -9.120 5.425 -5.641 1.00 0.00 N ATOM 1105 CA SER A 70 -9.601 4.642 -6.751 1.00 0.00 C ATOM 1106 C SER A 70 -10.960 3.867 -6.475 1.00 0.00 C ATOM 1107 O SER A 70 -11.376 3.719 -5.328 1.00 0.00 O ATOM 1108 CB SER A 70 -8.448 3.688 -7.108 1.00 0.00 C ATOM 1109 OG SER A 70 -7.273 4.435 -7.396 1.00 0.00 O ATOM 0 H SER A 70 -8.309 5.003 -5.188 1.00 0.00 H new ATOM 0 HA SER A 70 -9.866 5.299 -7.579 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.261 3.004 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.722 3.079 -7.969 1.00 0.00 H new ATOM 0 HG SER A 70 -7.388 4.911 -8.245 1.00 0.00 H new ATOM 1115 N PRO A 71 -11.574 3.325 -7.579 1.00 0.00 N ATOM 1116 CA PRO A 71 -12.867 2.526 -7.704 1.00 0.00 C ATOM 1117 C PRO A 71 -13.353 1.499 -6.611 1.00 0.00 C ATOM 1118 O PRO A 71 -14.327 0.800 -6.906 1.00 0.00 O ATOM 1119 CB PRO A 71 -12.684 1.774 -9.039 1.00 0.00 C ATOM 1120 CG PRO A 71 -11.372 2.220 -9.585 1.00 0.00 C ATOM 1121 CD PRO A 71 -11.108 3.540 -8.963 1.00 0.00 C ATOM 0 HA PRO A 71 -13.660 3.266 -7.596 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.696 0.695 -8.884 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.494 2.005 -9.731 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.584 1.508 -9.342 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.406 2.299 -10.672 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.051 3.805 -9.001 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.656 4.342 -9.458 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.735 1.410 -5.413 1.00 0.00 N ATOM 1130 CA ALA A 72 -12.810 0.236 -4.484 1.00 0.00 C ATOM 1131 C ALA A 72 -11.746 -0.698 -4.889 1.00 0.00 C ATOM 1132 O ALA A 72 -11.935 -1.777 -5.456 1.00 0.00 O ATOM 1133 CB ALA A 72 -14.183 -0.443 -4.363 1.00 0.00 C ATOM 0 H ALA A 72 -12.154 2.164 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.659 0.601 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.116 -1.278 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.914 0.278 -3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.494 -0.812 -5.340 1.00 0.00 H new ATOM 1139 N HIS A 73 -10.594 -0.139 -4.686 1.00 0.00 N ATOM 1140 CA HIS A 73 -9.315 -0.614 -5.091 1.00 0.00 C ATOM 1141 C HIS A 73 -8.767 -1.642 -4.136 1.00 0.00 C ATOM 1142 O HIS A 73 -8.126 -2.587 -4.563 1.00 0.00 O ATOM 1143 CB HIS A 73 -8.384 0.591 -5.206 1.00 0.00 C ATOM 1144 CG HIS A 73 -8.422 1.508 -3.994 1.00 0.00 C ATOM 1145 ND1 HIS A 73 -9.316 2.561 -3.835 1.00 0.00 N ATOM 1146 CD2 HIS A 73 -7.662 1.513 -2.886 1.00 0.00 C ATOM 1147 CE1 HIS A 73 -9.055 3.143 -2.671 1.00 0.00 C ATOM 1148 NE2 HIS A 73 -8.061 2.553 -2.061 1.00 0.00 N ATOM 0 H HIS A 73 -10.523 0.746 -4.184 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.400 -1.117 -6.054 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.363 0.238 -5.352 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.653 1.164 -6.093 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -10.043 2.837 -4.495 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.865 0.816 -2.672 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.594 3.993 -2.279 1.00 0.00 H new ATOM 1156 N ALA A 74 -9.012 -1.478 -2.844 1.00 0.00 N ATOM 1157 CA ALA A 74 -8.588 -2.493 -1.917 1.00 0.00 C ATOM 1158 C ALA A 74 -9.447 -3.715 -2.124 1.00 0.00 C ATOM 1159 O ALA A 74 -8.963 -4.854 -2.071 1.00 0.00 O ATOM 1160 CB ALA A 74 -8.651 -1.999 -0.508 1.00 0.00 C ATOM 0 H ALA A 74 -9.488 -0.675 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.546 -2.753 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.325 -2.788 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.999 -1.133 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.676 -1.715 -0.267 1.00 0.00 H new ATOM 1166 N VAL A 75 -10.725 -3.462 -2.399 1.00 0.00 N ATOM 1167 CA VAL A 75 -11.661 -4.497 -2.810 1.00 0.00 C ATOM 1168 C VAL A 75 -11.099 -5.195 -4.043 1.00 0.00 C ATOM 1169 O VAL A 75 -10.987 -6.417 -4.084 1.00 0.00 O ATOM 1170 CB VAL A 75 -13.059 -3.896 -3.188 1.00 0.00 C ATOM 1171 CG1 VAL A 75 -14.031 -4.977 -3.650 1.00 0.00 C ATOM 1172 CG2 VAL A 75 -13.661 -3.106 -2.037 1.00 0.00 C ATOM 0 H VAL A 75 -11.138 -2.531 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.792 -5.188 -1.977 1.00 0.00 H new ATOM 0 HB VAL A 75 -12.890 -3.212 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.988 -4.521 -3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.625 -5.480 -4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.175 -5.703 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.629 -2.705 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -13.791 -3.761 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.995 -2.285 -1.772 1.00 0.00 H new ATOM 1182 N ASP A 76 -10.675 -4.385 -5.004 1.00 0.00 N ATOM 1183 CA ASP A 76 -10.189 -4.864 -6.291 1.00 0.00 C ATOM 1184 C ASP A 76 -8.894 -5.663 -6.133 1.00 0.00 C ATOM 1185 O ASP A 76 -8.676 -6.639 -6.831 1.00 0.00 O ATOM 1186 CB ASP A 76 -9.982 -3.694 -7.255 1.00 0.00 C ATOM 1187 CG ASP A 76 -10.091 -4.104 -8.709 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -11.246 -4.278 -9.202 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -9.065 -4.225 -9.391 1.00 0.00 O ATOM 0 H ASP A 76 -10.659 -3.369 -4.911 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.945 -5.530 -6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.721 -2.921 -7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.000 -3.254 -7.079 1.00 0.00 H new ATOM 1194 N ALA A 77 -8.054 -5.251 -5.202 1.00 0.00 N ATOM 1195 CA ALA A 77 -6.807 -5.953 -4.906 1.00 0.00 C ATOM 1196 C ALA A 77 -7.085 -7.374 -4.412 1.00 0.00 C ATOM 1197 O ALA A 77 -6.552 -8.348 -4.960 1.00 0.00 O ATOM 1198 CB ALA A 77 -5.987 -5.179 -3.882 1.00 0.00 C ATOM 0 H ALA A 77 -8.211 -4.423 -4.628 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.229 -6.022 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.062 -5.717 -3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.751 -4.191 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.560 -5.074 -2.961 1.00 0.00 H new ATOM 1204 N VAL A 78 -7.968 -7.482 -3.416 1.00 0.00 N ATOM 1205 CA VAL A 78 -8.357 -8.727 -2.832 1.00 0.00 C ATOM 1206 C VAL A 78 -9.080 -9.595 -3.888 1.00 0.00 C ATOM 1207 O VAL A 78 -8.916 -10.815 -3.944 1.00 0.00 O ATOM 1208 CB VAL A 78 -9.288 -8.433 -1.632 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -9.828 -9.684 -1.055 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -8.553 -7.647 -0.557 1.00 0.00 C ATOM 0 H VAL A 78 -8.432 -6.676 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.482 -9.276 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.120 -7.834 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.479 -9.445 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.398 -10.219 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.005 -10.311 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.228 -7.452 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.698 -8.224 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.206 -6.701 -0.972 1.00 0.00 H new ATOM 1220 N LYS A 79 -9.863 -8.932 -4.707 1.00 0.00 N ATOM 1221 CA LYS A 79 -10.588 -9.505 -5.825 1.00 0.00 C ATOM 1222 C LYS A 79 -9.637 -10.150 -6.841 1.00 0.00 C ATOM 1223 O LYS A 79 -9.942 -11.191 -7.422 1.00 0.00 O ATOM 1224 CB LYS A 79 -11.322 -8.355 -6.456 1.00 0.00 C ATOM 1225 CG LYS A 79 -11.975 -8.577 -7.781 1.00 0.00 C ATOM 1226 CD LYS A 79 -12.492 -7.250 -8.227 1.00 0.00 C ATOM 1227 CE LYS A 79 -12.979 -7.253 -9.636 1.00 0.00 C ATOM 1228 NZ LYS A 79 -13.342 -5.882 -10.061 1.00 0.00 N ATOM 0 H LYS A 79 -10.022 -7.929 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.262 -10.294 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.091 -8.027 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.618 -7.530 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.263 -8.978 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.786 -9.301 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.305 -6.944 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.702 -6.506 -8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.206 -7.651 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.844 -7.910 -9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.301 -5.818 -11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.306 -5.662 -9.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.674 -5.202 -9.646 1.00 0.00 H new ATOM 1242 N ASN A 80 -8.485 -9.539 -7.032 1.00 0.00 N ATOM 1243 CA ASN A 80 -7.516 -10.015 -8.006 1.00 0.00 C ATOM 1244 C ASN A 80 -6.663 -11.140 -7.495 1.00 0.00 C ATOM 1245 O ASN A 80 -6.911 -12.314 -7.814 1.00 0.00 O ATOM 1246 CB ASN A 80 -6.628 -8.893 -8.548 1.00 0.00 C ATOM 1247 CG ASN A 80 -7.253 -8.134 -9.688 1.00 0.00 C ATOM 1248 OD1 ASN A 80 -7.073 -8.489 -10.850 1.00 0.00 O ATOM 1249 ND2 ASN A 80 -7.973 -7.098 -9.389 1.00 0.00 N ATOM 0 H ASN A 80 -8.193 -8.705 -6.522 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.119 -10.404 -8.826 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.400 -8.198 -7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.681 -9.318 -8.880 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.410 -6.550 -10.130 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.102 -6.831 -8.413 1.00 0.00 H new ATOM 1256 N ALA A 81 -5.690 -10.824 -6.681 1.00 0.00 N ATOM 1257 CA ALA A 81 -4.741 -11.817 -6.278 1.00 0.00 C ATOM 1258 C ALA A 81 -4.138 -11.510 -4.944 1.00 0.00 C ATOM 1259 O ALA A 81 -3.444 -10.513 -4.773 1.00 0.00 O ATOM 1260 CB ALA A 81 -3.644 -11.973 -7.331 1.00 0.00 C ATOM 0 H ALA A 81 -5.538 -9.895 -6.289 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.282 -12.759 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.933 -12.732 -7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.090 -12.275 -8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.126 -11.023 -7.461 1.00 0.00 H new ATOM 1266 N ASP A 82 -4.452 -12.332 -4.006 1.00 0.00 N ATOM 1267 CA ASP A 82 -3.831 -12.304 -2.719 1.00 0.00 C ATOM 1268 C ASP A 82 -2.697 -13.285 -2.705 1.00 0.00 C ATOM 1269 O ASP A 82 -2.841 -14.425 -3.183 1.00 0.00 O ATOM 1270 CB ASP A 82 -4.826 -12.628 -1.617 1.00 0.00 C ATOM 1271 CG ASP A 82 -4.149 -13.063 -0.336 1.00 0.00 C ATOM 1272 OD1 ASP A 82 -3.412 -12.271 0.263 1.00 0.00 O ATOM 1273 OD2 ASP A 82 -4.323 -14.233 0.066 1.00 0.00 O ATOM 0 H ASP A 82 -5.161 -13.059 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.454 -11.299 -2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.442 -11.751 -1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.496 -13.418 -1.957 1.00 0.00 H new ATOM 1278 N GLY A 83 -1.575 -12.852 -2.199 1.00 0.00 N ATOM 1279 CA GLY A 83 -0.425 -13.702 -2.144 1.00 0.00 C ATOM 1280 C GLY A 83 0.178 -13.898 -3.507 1.00 0.00 C ATOM 1281 O GLY A 83 0.442 -15.025 -3.921 1.00 0.00 O ATOM 0 H GLY A 83 -1.436 -11.915 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.318 -13.268 -1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.705 -14.669 -1.726 1.00 0.00 H new ATOM 1285 N TYR A 84 0.384 -12.813 -4.221 1.00 0.00 N ATOM 1286 CA TYR A 84 0.981 -12.909 -5.520 1.00 0.00 C ATOM 1287 C TYR A 84 2.483 -12.831 -5.399 1.00 0.00 C ATOM 1288 O TYR A 84 3.030 -11.910 -4.774 1.00 0.00 O ATOM 1289 CB TYR A 84 0.367 -11.922 -6.547 1.00 0.00 C ATOM 1290 CG TYR A 84 0.450 -10.434 -6.231 1.00 0.00 C ATOM 1291 CD1 TYR A 84 -0.357 -9.858 -5.257 1.00 0.00 C ATOM 1292 CD2 TYR A 84 1.317 -9.605 -6.933 1.00 0.00 C ATOM 1293 CE1 TYR A 84 -0.301 -8.506 -4.986 1.00 0.00 C ATOM 1294 CE2 TYR A 84 1.376 -8.251 -6.673 1.00 0.00 C ATOM 1295 CZ TYR A 84 0.567 -7.708 -5.698 1.00 0.00 C ATOM 1296 OH TYR A 84 0.630 -6.362 -5.429 1.00 0.00 O ATOM 0 H TYR A 84 0.147 -11.867 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 84 0.744 -13.886 -5.940 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.855 -12.089 -7.507 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.684 -12.180 -6.674 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.042 -10.481 -4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.955 -10.028 -7.695 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.933 -8.077 -4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.052 -7.620 -7.231 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.205 -5.933 -5.710 1.00 0.00 H new ATOM 1306 N LYS A 85 3.138 -13.821 -5.942 1.00 0.00 N ATOM 1307 CA LYS A 85 4.546 -13.979 -5.788 1.00 0.00 C ATOM 1308 C LYS A 85 5.279 -13.562 -7.015 1.00 0.00 C ATOM 1309 O LYS A 85 4.935 -13.958 -8.127 1.00 0.00 O ATOM 1310 CB LYS A 85 4.946 -15.424 -5.376 1.00 0.00 C ATOM 1311 CG LYS A 85 4.342 -16.548 -6.216 1.00 0.00 C ATOM 1312 CD LYS A 85 2.911 -16.898 -5.809 1.00 0.00 C ATOM 1313 CE LYS A 85 2.344 -18.000 -6.679 1.00 0.00 C ATOM 1314 NZ LYS A 85 3.045 -19.291 -6.484 1.00 0.00 N ATOM 0 H LYS A 85 2.698 -14.545 -6.509 1.00 0.00 H new ATOM 0 HA LYS A 85 4.838 -13.320 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.032 -15.506 -5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.657 -15.578 -4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.353 -16.255 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.967 -17.437 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.894 -17.211 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.282 -16.011 -5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.285 -18.127 -6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.415 -17.706 -7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.520 -20.048 -6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.005 -19.228 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.103 -19.505 -5.468 1.00 0.00 H new ATOM 1328 N LEU A 86 6.250 -12.735 -6.819 1.00 0.00 N ATOM 1329 CA LEU A 86 7.102 -12.313 -7.904 1.00 0.00 C ATOM 1330 C LEU A 86 8.217 -13.327 -8.055 1.00 0.00 C ATOM 1331 O LEU A 86 8.263 -14.094 -9.035 1.00 0.00 O ATOM 1332 CB LEU A 86 7.713 -10.918 -7.659 1.00 0.00 C ATOM 1333 CG LEU A 86 6.752 -9.745 -7.435 1.00 0.00 C ATOM 1334 CD1 LEU A 86 7.540 -8.449 -7.319 1.00 0.00 C ATOM 1335 CD2 LEU A 86 5.724 -9.648 -8.555 1.00 0.00 C ATOM 0 H LEU A 86 6.483 -12.329 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 86 6.498 -12.249 -8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.366 -10.987 -6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.345 -10.675 -8.513 1.00 0.00 H new ATOM 0 HG LEU A 86 6.209 -9.919 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.853 -7.618 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.229 -8.516 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.104 -8.283 -8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.058 -8.806 -8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.235 -9.500 -9.506 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.142 -10.569 -8.596 1.00 0.00 H new ATOM 1347 N ASP A 87 9.067 -13.374 -7.042 1.00 0.00 N ATOM 1348 CA ASP A 87 10.227 -14.235 -7.005 1.00 0.00 C ATOM 1349 C ASP A 87 10.716 -14.187 -5.556 1.00 0.00 C ATOM 1350 O ASP A 87 10.049 -13.544 -4.733 1.00 0.00 O ATOM 1351 CB ASP A 87 11.313 -13.672 -7.947 1.00 0.00 C ATOM 1352 CG ASP A 87 12.291 -14.715 -8.455 1.00 0.00 C ATOM 1353 OD1 ASP A 87 12.848 -15.491 -7.657 1.00 0.00 O ATOM 1354 OD2 ASP A 87 12.501 -14.788 -9.678 1.00 0.00 O ATOM 0 H ASP A 87 8.963 -12.799 -6.206 1.00 0.00 H new ATOM 0 HA ASP A 87 10.001 -15.252 -7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.829 -13.197 -8.800 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.867 -12.894 -7.422 1.00 0.00 H new ATOM 1359 N LYS A 88 11.865 -14.803 -5.263 1.00 0.00 N ATOM 1360 CA LYS A 88 12.482 -14.857 -3.920 1.00 0.00 C ATOM 1361 C LYS A 88 11.479 -15.020 -2.748 1.00 0.00 C ATOM 1362 O LYS A 88 10.911 -16.102 -2.546 1.00 0.00 O ATOM 1363 CB LYS A 88 13.442 -13.674 -3.698 1.00 0.00 C ATOM 1364 CG LYS A 88 14.939 -13.856 -4.057 1.00 0.00 C ATOM 1365 CD LYS A 88 15.216 -14.199 -5.519 1.00 0.00 C ATOM 1366 CE LYS A 88 15.225 -15.701 -5.770 1.00 0.00 C ATOM 1367 NZ LYS A 88 15.464 -16.012 -7.192 1.00 0.00 N ATOM 0 H LYS A 88 12.413 -15.294 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 88 13.062 -15.780 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.064 -12.829 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.385 -13.395 -2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.471 -12.938 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.354 -14.645 -3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.459 -13.732 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.178 -13.778 -5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.998 -16.168 -5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.272 -16.128 -5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.765 -17.003 -7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.587 -15.864 -7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.209 -15.388 -7.563 1.00 0.00 H new ATOM 1381 N GLN A 89 11.226 -13.934 -2.041 1.00 0.00 N ATOM 1382 CA GLN A 89 10.359 -13.929 -0.871 1.00 0.00 C ATOM 1383 C GLN A 89 9.229 -12.953 -1.107 1.00 0.00 C ATOM 1384 O GLN A 89 8.424 -12.673 -0.219 1.00 0.00 O ATOM 1385 CB GLN A 89 11.169 -13.476 0.364 1.00 0.00 C ATOM 1386 CG GLN A 89 11.741 -12.052 0.241 1.00 0.00 C ATOM 1387 CD GLN A 89 12.581 -11.621 1.432 1.00 0.00 C ATOM 1388 OE1 GLN A 89 13.217 -12.436 2.093 1.00 0.00 O ATOM 1389 NE2 GLN A 89 12.586 -10.340 1.718 1.00 0.00 N ATOM 0 H GLN A 89 11.620 -13.020 -2.263 1.00 0.00 H new ATOM 0 HA GLN A 89 9.961 -14.929 -0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.529 -13.526 1.245 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.990 -14.175 0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.350 -11.992 -0.661 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.917 -11.349 0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.046 -9.688 1.148 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.130 -9.996 2.510 1.00 0.00 H new ATOM 1398 N HIS A 90 9.149 -12.463 -2.316 1.00 0.00 N ATOM 1399 CA HIS A 90 8.244 -11.382 -2.626 1.00 0.00 C ATOM 1400 C HIS A 90 6.910 -11.941 -2.979 1.00 0.00 C ATOM 1401 O HIS A 90 6.672 -12.355 -4.111 1.00 0.00 O ATOM 1402 CB HIS A 90 8.744 -10.525 -3.788 1.00 0.00 C ATOM 1403 CG HIS A 90 10.234 -10.317 -3.831 1.00 0.00 C ATOM 1404 ND1 HIS A 90 11.003 -9.969 -2.744 1.00 0.00 N ATOM 1405 CD2 HIS A 90 11.103 -10.511 -4.851 1.00 0.00 C ATOM 1406 CE1 HIS A 90 12.283 -9.974 -3.131 1.00 0.00 C ATOM 1407 NE2 HIS A 90 12.394 -10.295 -4.399 1.00 0.00 N ATOM 0 H HIS A 90 9.701 -12.795 -3.107 1.00 0.00 H new ATOM 0 HA HIS A 90 8.178 -10.746 -1.743 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.430 -10.989 -4.723 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.258 -9.551 -3.737 1.00 0.00 H new ATOM 0 HD2 HIS A 90 10.832 -10.790 -5.858 1.00 0.00 H new ATOM 0 HE1 HIS A 90 13.117 -9.744 -2.484 1.00 0.00 H new ATOM 0 HE2 HIS A 90 13.255 -10.370 -4.941 1.00 0.00 H new ATOM 1415 N THR A 91 6.104 -12.057 -2.011 1.00 0.00 N ATOM 1416 CA THR A 91 4.781 -12.544 -2.179 1.00 0.00 C ATOM 1417 C THR A 91 3.870 -11.625 -1.434 1.00 0.00 C ATOM 1418 O THR A 91 3.817 -11.662 -0.229 1.00 0.00 O ATOM 1419 CB THR A 91 4.652 -13.971 -1.649 1.00 0.00 C ATOM 1420 OG1 THR A 91 5.794 -14.736 -2.086 1.00 0.00 O ATOM 1421 CG2 THR A 91 3.409 -14.602 -2.217 1.00 0.00 C ATOM 0 H THR A 91 6.339 -11.813 -1.049 1.00 0.00 H new ATOM 0 HA THR A 91 4.521 -12.571 -3.237 1.00 0.00 H new ATOM 0 HB THR A 91 4.599 -13.955 -0.560 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.721 -15.654 -1.749 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.314 -15.621 -1.841 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.537 -14.021 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.475 -14.622 -3.305 1.00 0.00 H new ATOM 1429 N PHE A 92 3.169 -10.809 -2.131 1.00 0.00 N ATOM 1430 CA PHE A 92 2.398 -9.790 -1.488 1.00 0.00 C ATOM 1431 C PHE A 92 1.081 -10.342 -1.013 1.00 0.00 C ATOM 1432 O PHE A 92 0.175 -10.594 -1.809 1.00 0.00 O ATOM 1433 CB PHE A 92 2.195 -8.605 -2.422 1.00 0.00 C ATOM 1434 CG PHE A 92 3.477 -8.107 -3.027 1.00 0.00 C ATOM 1435 CD1 PHE A 92 4.398 -7.437 -2.262 1.00 0.00 C ATOM 1436 CD2 PHE A 92 3.754 -8.322 -4.360 1.00 0.00 C ATOM 1437 CE1 PHE A 92 5.574 -6.984 -2.812 1.00 0.00 C ATOM 1438 CE2 PHE A 92 4.925 -7.875 -4.920 1.00 0.00 C ATOM 1439 CZ PHE A 92 5.839 -7.200 -4.147 1.00 0.00 C ATOM 0 H PHE A 92 3.108 -10.820 -3.149 1.00 0.00 H new ATOM 0 HA PHE A 92 2.947 -9.438 -0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.511 -8.892 -3.220 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.720 -7.793 -1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.197 -7.263 -1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.039 -8.850 -4.973 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.290 -6.459 -2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.127 -8.053 -5.966 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.759 -6.841 -4.583 1.00 0.00 H new ATOM 1449 N ARG A 93 1.009 -10.622 0.269 1.00 0.00 N ATOM 1450 CA ARG A 93 -0.237 -11.076 0.861 1.00 0.00 C ATOM 1451 C ARG A 93 -1.028 -9.888 1.266 1.00 0.00 C ATOM 1452 O ARG A 93 -0.468 -8.912 1.812 1.00 0.00 O ATOM 1453 CB ARG A 93 -0.078 -12.066 2.039 1.00 0.00 C ATOM 1454 CG ARG A 93 0.410 -13.442 1.630 1.00 0.00 C ATOM 1455 CD ARG A 93 1.886 -13.478 1.312 1.00 0.00 C ATOM 1456 NE ARG A 93 2.704 -13.587 2.506 1.00 0.00 N ATOM 1457 CZ ARG A 93 3.557 -14.573 2.749 1.00 0.00 C ATOM 1458 NH1 ARG A 93 3.650 -15.602 1.911 1.00 0.00 N ATOM 1459 NH2 ARG A 93 4.293 -14.529 3.836 1.00 0.00 N ATOM 0 H ARG A 93 1.790 -10.545 0.921 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.758 -11.653 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.621 -11.645 2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.038 -12.168 2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.200 -14.149 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.152 -13.775 0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.093 -14.322 0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.160 -12.574 0.768 1.00 0.00 H new ATOM 0 HE ARG A 93 2.617 -12.853 3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.064 -15.635 1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.308 -16.358 2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.204 -13.743 4.481 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.953 -15.280 4.036 1.00 0.00 H new ATOM 1473 N VAL A 94 -2.288 -9.938 0.999 1.00 0.00 N ATOM 1474 CA VAL A 94 -3.134 -8.815 1.195 1.00 0.00 C ATOM 1475 C VAL A 94 -3.990 -9.019 2.436 1.00 0.00 C ATOM 1476 O VAL A 94 -4.492 -10.127 2.698 1.00 0.00 O ATOM 1477 CB VAL A 94 -4.048 -8.566 -0.069 1.00 0.00 C ATOM 1478 CG1 VAL A 94 -3.247 -8.558 -1.360 1.00 0.00 C ATOM 1479 CG2 VAL A 94 -5.204 -9.540 -0.150 1.00 0.00 C ATOM 0 H VAL A 94 -2.762 -10.765 0.636 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.508 -7.934 1.336 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.476 -7.572 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.916 -8.384 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.500 -7.765 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.749 -9.520 -1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.800 -9.324 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.819 -10.558 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.827 -9.440 0.739 1.00 0.00 H new ATOM 1489 N ASN A 95 -4.076 -8.012 3.240 1.00 0.00 N ATOM 1490 CA ASN A 95 -5.017 -8.013 4.318 1.00 0.00 C ATOM 1491 C ASN A 95 -5.447 -6.624 4.543 1.00 0.00 C ATOM 1492 O ASN A 95 -4.672 -5.698 4.306 1.00 0.00 O ATOM 1493 CB ASN A 95 -4.474 -8.713 5.626 1.00 0.00 C ATOM 1494 CG ASN A 95 -4.393 -7.856 6.918 1.00 0.00 C ATOM 1495 OD1 ASN A 95 -4.703 -8.338 8.000 1.00 0.00 O ATOM 1496 ND2 ASN A 95 -3.883 -6.658 6.832 1.00 0.00 N ATOM 0 H ASN A 95 -3.503 -7.171 3.173 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.878 -8.622 4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.108 -9.575 5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -3.476 -9.095 5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.736 -6.105 7.676 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.631 -6.275 5.921 1.00 0.00 H new