USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 698 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 84 MET CE :methyl -103:sc= -1.91 (180deg=-6.66!) USER MOD Set 1.2: A 86 CYS SG : rot -64:sc= -2.06 USER MOD Set 2.1: A 50 ASN :FLIP amide:sc=-0.00121 F(o=-0.65,f=-0.0012) USER MOD Set 2.2: A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.904 K(o=0.9,f=-4!) USER MOD Single : A 28 ASN : amide:sc= -0.253 K(o=-0.25,f=-3.6!) USER MOD Single : A 30 THR OG1 : rot -176:sc= -0.637 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -3! F(o=-3.8,f=-3!) USER MOD Single : A 33 SER OG : rot -17:sc= 0.0658 USER MOD Single : A 35 THR OG1 : rot 83:sc= 0.686 USER MOD Single : A 37 GLN : amide:sc= -0.0415 X(o=-0.041,f=-0.23) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0279) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.524 K(o=-0.52,f=-2.1) USER MOD Single : A 65 CYS SG : rot 180:sc= -0.019 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot 110:sc= 0.331 USER MOD Single : A 68 TYR OH : rot 30:sc= -0.727 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 178:sc= 0.0543 USER MOD Single : A 94 ASN : amide:sc= -1.57 K(o=-1.6,f=-8.6!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 99 SER OG : rot -67:sc= 0.185 USER MOD Single : A 102 SER OG : rot 176:sc= 0.684 USER MOD Single : A 107 TYR OH : rot 165:sc= -0.428 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -166:sc= 1.03 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 1.522 13.388 -0.888 1.00 0.00 N ATOM 215 CA PRO A 18 0.860 12.670 -1.981 1.00 0.00 C ATOM 216 C PRO A 18 -0.403 11.949 -1.522 1.00 0.00 C ATOM 217 O PRO A 18 -0.696 11.891 -0.327 1.00 0.00 O ATOM 218 CB PRO A 18 1.918 11.659 -2.433 1.00 0.00 C ATOM 219 CG PRO A 18 2.777 11.448 -1.234 1.00 0.00 C ATOM 220 CD PRO A 18 2.799 12.763 -0.504 1.00 0.00 C ATOM 0 HA PRO A 18 0.530 13.345 -2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.460 10.726 -2.761 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.498 12.042 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.376 10.657 -0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.783 11.145 -1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.869 12.623 0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.651 13.374 -0.802 1.00 0.00 H new ATOM 228 N ASP A 19 -1.147 11.402 -2.477 1.00 0.00 N ATOM 229 CA ASP A 19 -2.378 10.684 -2.169 1.00 0.00 C ATOM 230 C ASP A 19 -2.075 9.269 -1.684 1.00 0.00 C ATOM 231 O ASP A 19 -1.107 8.647 -2.122 1.00 0.00 O ATOM 232 CB ASP A 19 -3.284 10.631 -3.400 1.00 0.00 C ATOM 233 CG ASP A 19 -4.755 10.590 -3.036 1.00 0.00 C ATOM 234 OD1 ASP A 19 -5.146 11.281 -2.072 1.00 0.00 O ATOM 235 OD2 ASP A 19 -5.515 9.867 -3.714 1.00 0.00 O ATOM 0 H ASP A 19 -0.919 11.442 -3.470 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.892 11.220 -1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.092 11.502 -4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.035 9.751 -3.993 1.00 0.00 H new ATOM 240 N ILE A 20 -2.909 8.769 -0.778 1.00 0.00 N ATOM 241 CA ILE A 20 -2.730 7.429 -0.234 1.00 0.00 C ATOM 242 C ILE A 20 -2.803 6.375 -1.334 1.00 0.00 C ATOM 243 O ILE A 20 -3.820 6.215 -2.009 1.00 0.00 O ATOM 244 CB ILE A 20 -3.789 7.110 0.837 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.747 8.155 1.954 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.568 5.715 1.402 1.00 0.00 C ATOM 247 CD1 ILE A 20 -5.064 8.315 2.681 1.00 0.00 C ATOM 0 H ILE A 20 -3.715 9.272 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.742 7.404 0.225 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.775 7.141 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.976 7.876 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.456 9.116 1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.325 5.505 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.643 4.981 0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.578 5.658 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.961 9.071 3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.834 8.624 1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.347 7.365 3.134 1.00 0.00 H new ATOM 259 N PRO A 21 -1.698 5.636 -1.520 1.00 0.00 N ATOM 260 CA PRO A 21 -1.612 4.583 -2.535 1.00 0.00 C ATOM 261 C PRO A 21 -2.480 3.376 -2.194 1.00 0.00 C ATOM 262 O PRO A 21 -2.793 3.135 -1.029 1.00 0.00 O ATOM 263 CB PRO A 21 -0.131 4.197 -2.522 1.00 0.00 C ATOM 264 CG PRO A 21 0.342 4.559 -1.156 1.00 0.00 C ATOM 265 CD PRO A 21 -0.449 5.773 -0.752 1.00 0.00 C ATOM 0 HA PRO A 21 -1.969 4.924 -3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.003 3.133 -2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.425 4.735 -3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.181 3.738 -0.457 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.411 4.772 -1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.637 5.791 0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.076 6.696 -0.999 1.00 0.00 H new ATOM 273 N ASN A 22 -2.866 2.622 -3.218 1.00 0.00 N ATOM 274 CA ASN A 22 -3.698 1.440 -3.026 1.00 0.00 C ATOM 275 C ASN A 22 -2.968 0.389 -2.195 1.00 0.00 C ATOM 276 O ASN A 22 -1.738 0.339 -2.155 1.00 0.00 O ATOM 277 CB ASN A 22 -4.100 0.848 -4.378 1.00 0.00 C ATOM 278 CG ASN A 22 -4.217 1.905 -5.460 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.235 2.558 -5.813 1.00 0.00 O ATOM 280 ND2 ASN A 22 -5.421 2.076 -5.992 1.00 0.00 N ATOM 0 H ASN A 22 -2.616 2.809 -4.189 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.596 1.743 -2.488 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.363 0.104 -4.679 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.053 0.330 -4.276 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.561 2.772 -6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.207 1.512 -5.668 1.00 0.00 H new ATOM 287 N PRO A 23 -3.741 -0.471 -1.517 1.00 0.00 N ATOM 288 CA PRO A 23 -3.190 -1.538 -0.676 1.00 0.00 C ATOM 289 C PRO A 23 -2.519 -2.634 -1.496 1.00 0.00 C ATOM 290 O PRO A 23 -2.932 -2.949 -2.612 1.00 0.00 O ATOM 291 CB PRO A 23 -4.419 -2.089 0.050 1.00 0.00 C ATOM 292 CG PRO A 23 -5.564 -1.769 -0.848 1.00 0.00 C ATOM 293 CD PRO A 23 -5.214 -0.470 -1.519 1.00 0.00 C ATOM 0 HA PRO A 23 -2.413 -1.169 -0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.333 -3.163 0.215 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.542 -1.625 1.029 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.716 -2.559 -1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.491 -1.678 -0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.614 -0.420 -2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.616 0.385 -0.975 1.00 0.00 H new ATOM 301 N PRO A 24 -1.459 -3.233 -0.931 1.00 0.00 N ATOM 302 CA PRO A 24 -0.710 -4.305 -1.593 1.00 0.00 C ATOM 303 C PRO A 24 -1.512 -5.598 -1.690 1.00 0.00 C ATOM 304 O PRO A 24 -2.257 -5.948 -0.774 1.00 0.00 O ATOM 305 CB PRO A 24 0.508 -4.498 -0.686 1.00 0.00 C ATOM 306 CG PRO A 24 0.061 -4.026 0.654 1.00 0.00 C ATOM 307 CD PRO A 24 -0.912 -2.909 0.397 1.00 0.00 C ATOM 0 HA PRO A 24 -0.457 -4.050 -2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.817 -5.543 -0.655 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.363 -3.924 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.411 -4.833 1.214 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.907 -3.678 1.247 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.694 -2.874 1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.419 -1.937 0.402 1.00 0.00 H new ATOM 315 N ARG A 25 -1.354 -6.304 -2.805 1.00 0.00 N ATOM 316 CA ARG A 25 -2.065 -7.559 -3.021 1.00 0.00 C ATOM 317 C ARG A 25 -1.124 -8.750 -2.866 1.00 0.00 C ATOM 318 O ARG A 25 0.093 -8.585 -2.773 1.00 0.00 O ATOM 319 CB ARG A 25 -2.701 -7.576 -4.412 1.00 0.00 C ATOM 320 CG ARG A 25 -1.738 -7.203 -5.527 1.00 0.00 C ATOM 321 CD ARG A 25 -2.357 -7.432 -6.897 1.00 0.00 C ATOM 322 NE ARG A 25 -1.343 -7.625 -7.930 1.00 0.00 N ATOM 323 CZ ARG A 25 -1.602 -8.139 -9.127 1.00 0.00 C ATOM 324 NH1 ARG A 25 -2.837 -8.509 -9.441 1.00 0.00 N ATOM 325 NH2 ARG A 25 -0.626 -8.284 -10.014 1.00 0.00 N ATOM 0 H ARG A 25 -0.741 -6.029 -3.572 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.850 -7.637 -2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.101 -8.571 -4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.544 -6.885 -4.425 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.451 -6.156 -5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.827 -7.794 -5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.007 -8.306 -6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.984 -6.579 -7.159 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.383 -7.350 -7.721 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.590 -8.399 -8.762 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.033 -8.903 -10.361 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.325 -8.001 -9.777 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.826 -8.679 -10.933 1.00 0.00 H new ATOM 339 N ILE A 26 -1.696 -9.949 -2.838 1.00 0.00 N ATOM 340 CA ILE A 26 -0.908 -11.167 -2.694 1.00 0.00 C ATOM 341 C ILE A 26 -0.691 -11.844 -4.044 1.00 0.00 C ATOM 342 O ILE A 26 -1.643 -12.110 -4.776 1.00 0.00 O ATOM 343 CB ILE A 26 -1.584 -12.165 -1.735 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.257 -11.811 -0.283 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.142 -13.586 -2.052 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.172 -12.120 0.107 1.00 0.00 C ATOM 0 H ILE A 26 -2.702 -10.103 -2.913 1.00 0.00 H new ATOM 0 HA ILE A 26 0.056 -10.872 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.664 -12.102 -1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.447 -10.749 -0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.931 -12.357 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.628 -14.280 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.420 -13.834 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.060 -13.664 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.333 -11.844 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.361 -13.186 -0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.853 -11.553 -0.528 1.00 0.00 H new ATOM 358 N ALA A 27 0.568 -12.121 -4.365 1.00 0.00 N ATOM 359 CA ALA A 27 0.910 -12.770 -5.624 1.00 0.00 C ATOM 360 C ALA A 27 1.470 -14.169 -5.387 1.00 0.00 C ATOM 361 O ALA A 27 1.533 -14.986 -6.304 1.00 0.00 O ATOM 362 CB ALA A 27 1.909 -11.925 -6.400 1.00 0.00 C ATOM 0 H ALA A 27 1.368 -11.906 -3.770 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.002 -12.867 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.155 -12.422 -7.338 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.473 -10.948 -6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.815 -11.798 -5.808 1.00 0.00 H new ATOM 368 N ASN A 28 1.876 -14.436 -4.150 1.00 0.00 N ATOM 369 CA ASN A 28 2.432 -15.736 -3.793 1.00 0.00 C ATOM 370 C ASN A 28 2.708 -15.817 -2.294 1.00 0.00 C ATOM 371 O ASN A 28 3.568 -15.107 -1.772 1.00 0.00 O ATOM 372 CB ASN A 28 3.722 -15.995 -4.575 1.00 0.00 C ATOM 373 CG ASN A 28 4.201 -17.428 -4.442 1.00 0.00 C ATOM 374 OD1 ASN A 28 3.669 -18.200 -3.644 1.00 0.00 O ATOM 375 ND2 ASN A 28 5.211 -17.789 -5.225 1.00 0.00 N ATOM 0 H ASN A 28 1.830 -13.770 -3.379 1.00 0.00 H new ATOM 0 HA ASN A 28 1.699 -16.500 -4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.558 -15.766 -5.628 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.501 -15.320 -4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.577 -18.740 -5.180 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.621 -17.115 -5.872 1.00 0.00 H new ATOM 382 N ARG A 29 1.974 -16.686 -1.609 1.00 0.00 N ATOM 383 CA ARG A 29 2.139 -16.859 -0.170 1.00 0.00 C ATOM 384 C ARG A 29 2.378 -18.326 0.177 1.00 0.00 C ATOM 385 O ARG A 29 1.734 -19.219 -0.375 1.00 0.00 O ATOM 386 CB ARG A 29 0.905 -16.343 0.572 1.00 0.00 C ATOM 387 CG ARG A 29 -0.400 -16.949 0.080 1.00 0.00 C ATOM 388 CD ARG A 29 -1.578 -16.502 0.931 1.00 0.00 C ATOM 389 NE ARG A 29 -2.685 -17.452 0.875 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.855 -17.253 1.472 1.00 0.00 C ATOM 391 NH1 ARG A 29 -4.069 -16.144 2.166 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.814 -18.165 1.376 1.00 0.00 N ATOM 0 H ARG A 29 1.259 -17.282 -2.026 1.00 0.00 H new ATOM 0 HA ARG A 29 3.010 -16.283 0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.016 -16.555 1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.855 -15.259 0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.569 -16.659 -0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.328 -18.036 0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.254 -16.384 1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.921 -15.525 0.591 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.553 -18.316 0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.334 -15.441 2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.968 -15.994 2.623 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.653 -19.020 0.843 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.712 -18.011 1.835 1.00 0.00 H new ATOM 406 N THR A 30 3.308 -18.567 1.095 1.00 0.00 N ATOM 407 CA THR A 30 3.634 -19.924 1.515 1.00 0.00 C ATOM 408 C THR A 30 3.452 -20.093 3.019 1.00 0.00 C ATOM 409 O THR A 30 3.019 -19.170 3.710 1.00 0.00 O ATOM 410 CB THR A 30 5.081 -20.296 1.140 1.00 0.00 C ATOM 411 OG1 THR A 30 5.967 -19.958 2.212 1.00 0.00 O ATOM 412 CG2 THR A 30 5.513 -19.577 -0.129 1.00 0.00 C ATOM 0 H THR A 30 3.849 -17.840 1.562 1.00 0.00 H new ATOM 0 HA THR A 30 2.948 -20.590 0.991 1.00 0.00 H new ATOM 0 HB THR A 30 5.122 -21.370 0.961 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.891 -20.140 1.942 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.538 -19.855 -0.374 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.854 -19.860 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.457 -18.500 0.026 1.00 0.00 H new ATOM 420 N LYS A 31 3.785 -21.277 3.522 1.00 0.00 N ATOM 421 CA LYS A 31 3.660 -21.568 4.945 1.00 0.00 C ATOM 422 C LYS A 31 4.710 -20.808 5.749 1.00 0.00 C ATOM 423 O LYS A 31 4.526 -20.547 6.937 1.00 0.00 O ATOM 424 CB LYS A 31 3.800 -23.071 5.194 1.00 0.00 C ATOM 425 CG LYS A 31 2.717 -23.901 4.526 1.00 0.00 C ATOM 426 CD LYS A 31 2.513 -25.228 5.239 1.00 0.00 C ATOM 427 CE LYS A 31 1.733 -26.209 4.378 1.00 0.00 C ATOM 428 NZ LYS A 31 1.311 -27.411 5.149 1.00 0.00 N ATOM 0 H LYS A 31 4.144 -22.052 2.964 1.00 0.00 H new ATOM 0 HA LYS A 31 2.672 -21.243 5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.774 -23.402 4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.778 -23.257 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.781 -23.342 4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.986 -24.083 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.482 -25.657 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.981 -25.061 6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.853 -25.713 3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.347 -26.518 3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.782 -28.055 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.152 -27.899 5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.704 -27.120 5.941 1.00 0.00 H new ATOM 442 N ASN A 32 5.811 -20.456 5.093 1.00 0.00 N ATOM 443 CA ASN A 32 6.891 -19.726 5.747 1.00 0.00 C ATOM 444 C ASN A 32 7.370 -18.569 4.877 1.00 0.00 C ATOM 445 O ASN A 32 8.554 -18.230 4.873 1.00 0.00 O ATOM 446 CB ASN A 32 8.058 -20.666 6.054 1.00 0.00 C ATOM 447 CG ASN A 32 7.706 -21.701 7.105 1.00 0.00 C ATOM 448 OD1 ASN A 32 6.790 -22.601 6.766 1.00 0.00 O flip ATOM 449 ND2 ASN A 32 8.252 -21.692 8.208 1.00 0.00 N flip ATOM 0 H ASN A 32 5.979 -20.665 4.109 1.00 0.00 H new ATOM 0 HA ASN A 32 6.506 -19.319 6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.364 -21.172 5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.912 -20.081 6.396 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.951 -20.981 8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.006 -22.395 8.905 1.00 0.00 H new ATOM 456 N SER A 33 6.443 -17.966 4.140 1.00 0.00 N ATOM 457 CA SER A 33 6.771 -16.848 3.262 1.00 0.00 C ATOM 458 C SER A 33 5.507 -16.131 2.800 1.00 0.00 C ATOM 459 O SER A 33 4.417 -16.705 2.802 1.00 0.00 O ATOM 460 CB SER A 33 7.565 -17.340 2.050 1.00 0.00 C ATOM 461 OG SER A 33 8.793 -17.925 2.447 1.00 0.00 O ATOM 0 H SER A 33 5.458 -18.233 4.133 1.00 0.00 H new ATOM 0 HA SER A 33 7.382 -16.143 3.825 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.974 -18.069 1.496 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.757 -16.506 1.375 1.00 0.00 H new ATOM 0 HG SER A 33 9.000 -17.658 3.367 1.00 0.00 H new ATOM 467 N LEU A 34 5.659 -14.872 2.404 1.00 0.00 N ATOM 468 CA LEU A 34 4.531 -14.074 1.938 1.00 0.00 C ATOM 469 C LEU A 34 4.986 -13.022 0.932 1.00 0.00 C ATOM 470 O LEU A 34 5.761 -12.124 1.263 1.00 0.00 O ATOM 471 CB LEU A 34 3.836 -13.398 3.121 1.00 0.00 C ATOM 472 CG LEU A 34 2.683 -14.176 3.756 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.308 -13.573 5.101 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.479 -14.200 2.826 1.00 0.00 C ATOM 0 H LEU A 34 6.553 -14.382 2.396 1.00 0.00 H new ATOM 0 HA LEU A 34 3.826 -14.742 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.582 -13.201 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.457 -12.431 2.790 1.00 0.00 H new ATOM 0 HG LEU A 34 3.011 -15.203 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.486 -14.140 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.169 -13.610 5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.000 -12.537 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.668 -14.758 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.151 -13.179 2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.754 -14.680 1.887 1.00 0.00 H new ATOM 486 N THR A 35 4.497 -13.137 -0.300 1.00 0.00 N ATOM 487 CA THR A 35 4.853 -12.196 -1.354 1.00 0.00 C ATOM 488 C THR A 35 3.755 -11.158 -1.558 1.00 0.00 C ATOM 489 O THR A 35 2.583 -11.503 -1.716 1.00 0.00 O ATOM 490 CB THR A 35 5.113 -12.920 -2.689 1.00 0.00 C ATOM 491 OG1 THR A 35 5.978 -14.042 -2.477 1.00 0.00 O ATOM 492 CG2 THR A 35 5.740 -11.975 -3.703 1.00 0.00 C ATOM 0 H THR A 35 3.853 -13.873 -0.591 1.00 0.00 H new ATOM 0 HA THR A 35 5.768 -11.696 -1.036 1.00 0.00 H new ATOM 0 HB THR A 35 4.157 -13.267 -3.081 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.450 -14.809 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.915 -12.508 -4.638 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.067 -11.137 -3.884 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.688 -11.602 -3.315 1.00 0.00 H new ATOM 500 N LEU A 36 4.141 -9.887 -1.553 1.00 0.00 N ATOM 501 CA LEU A 36 3.188 -8.798 -1.739 1.00 0.00 C ATOM 502 C LEU A 36 3.642 -7.862 -2.854 1.00 0.00 C ATOM 503 O LEU A 36 4.827 -7.549 -2.970 1.00 0.00 O ATOM 504 CB LEU A 36 3.020 -8.014 -0.436 1.00 0.00 C ATOM 505 CG LEU A 36 2.539 -8.818 0.773 1.00 0.00 C ATOM 506 CD1 LEU A 36 2.996 -8.160 2.066 1.00 0.00 C ATOM 507 CD2 LEU A 36 1.024 -8.960 0.751 1.00 0.00 C ATOM 0 H LEU A 36 5.106 -9.585 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 36 2.229 -9.231 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.977 -7.555 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.314 -7.202 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 36 2.978 -9.815 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.645 -8.745 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.085 -8.111 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.586 -7.152 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.700 -9.535 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.565 -7.972 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.720 -9.476 -0.160 1.00 0.00 H new ATOM 519 N GLN A 37 2.692 -7.416 -3.669 1.00 0.00 N ATOM 520 CA GLN A 37 2.995 -6.514 -4.774 1.00 0.00 C ATOM 521 C GLN A 37 2.054 -5.314 -4.770 1.00 0.00 C ATOM 522 O GLN A 37 0.841 -5.465 -4.628 1.00 0.00 O ATOM 523 CB GLN A 37 2.890 -7.255 -6.109 1.00 0.00 C ATOM 524 CG GLN A 37 3.963 -8.315 -6.302 1.00 0.00 C ATOM 525 CD GLN A 37 4.217 -8.629 -7.763 1.00 0.00 C ATOM 526 OE1 GLN A 37 4.451 -7.730 -8.571 1.00 0.00 O ATOM 527 NE2 GLN A 37 4.172 -9.910 -8.110 1.00 0.00 N ATOM 0 H GLN A 37 1.706 -7.664 -3.585 1.00 0.00 H new ATOM 0 HA GLN A 37 4.016 -6.153 -4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.909 -7.726 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.954 -6.532 -6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.890 -7.976 -5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.665 -9.227 -5.785 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.975 -10.622 -7.407 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.335 -10.182 -9.080 1.00 0.00 H new ATOM 536 N TRP A 38 2.621 -4.124 -4.927 1.00 0.00 N ATOM 537 CA TRP A 38 1.833 -2.897 -4.941 1.00 0.00 C ATOM 538 C TRP A 38 2.289 -1.969 -6.062 1.00 0.00 C ATOM 539 O TRP A 38 3.398 -2.103 -6.580 1.00 0.00 O ATOM 540 CB TRP A 38 1.941 -2.181 -3.594 1.00 0.00 C ATOM 541 CG TRP A 38 3.354 -1.887 -3.190 1.00 0.00 C ATOM 542 CD1 TRP A 38 4.068 -0.756 -3.468 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.224 -2.737 -2.435 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.329 -0.853 -2.933 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.450 -2.058 -2.293 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.087 -4.005 -1.864 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.529 -2.607 -1.605 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.159 -4.548 -1.182 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.367 -3.850 -1.056 1.00 0.00 C ATOM 0 H TRP A 38 3.624 -3.982 -5.046 1.00 0.00 H new ATOM 0 HA TRP A 38 0.792 -3.166 -5.119 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.382 -1.246 -3.641 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.471 -2.795 -2.826 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.695 0.090 -4.026 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.058 -0.143 -3.001 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.160 -4.551 -1.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.461 -2.070 -1.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.064 -5.528 -0.738 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.186 -4.301 -0.515 1.00 0.00 H new ATOM 560 N LYS A 39 1.427 -1.028 -6.432 1.00 0.00 N ATOM 561 CA LYS A 39 1.742 -0.076 -7.491 1.00 0.00 C ATOM 562 C LYS A 39 2.104 1.287 -6.908 1.00 0.00 C ATOM 563 O LYS A 39 2.035 1.492 -5.697 1.00 0.00 O ATOM 564 CB LYS A 39 0.556 0.066 -8.447 1.00 0.00 C ATOM 565 CG LYS A 39 0.222 -1.213 -9.196 1.00 0.00 C ATOM 566 CD LYS A 39 -1.136 -1.126 -9.871 1.00 0.00 C ATOM 567 CE LYS A 39 -2.256 -1.531 -8.925 1.00 0.00 C ATOM 568 NZ LYS A 39 -3.591 -1.451 -9.580 1.00 0.00 N ATOM 0 H LYS A 39 0.505 -0.904 -6.014 1.00 0.00 H new ATOM 0 HA LYS A 39 2.602 -0.456 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.319 0.385 -7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.774 0.853 -9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.990 -1.408 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.232 -2.054 -8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.305 -0.108 -10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.149 -1.771 -10.749 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.084 -2.548 -8.573 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.242 -0.884 -8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.328 -1.735 -8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.766 -0.475 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.613 -2.088 -10.402 1.00 0.00 H new ATOM 582 N ALA A 40 2.488 2.215 -7.778 1.00 0.00 N ATOM 583 CA ALA A 40 2.857 3.558 -7.350 1.00 0.00 C ATOM 584 C ALA A 40 1.696 4.531 -7.532 1.00 0.00 C ATOM 585 O ALA A 40 1.008 4.528 -8.553 1.00 0.00 O ATOM 586 CB ALA A 40 4.078 4.040 -8.118 1.00 0.00 C ATOM 0 H ALA A 40 2.552 2.061 -8.784 1.00 0.00 H new ATOM 0 HA ALA A 40 3.101 3.520 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.342 5.045 -7.788 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.914 3.366 -7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.854 4.056 -9.185 1.00 0.00 H new ATOM 592 N PRO A 41 1.473 5.382 -6.521 1.00 0.00 N ATOM 593 CA PRO A 41 0.395 6.376 -6.546 1.00 0.00 C ATOM 594 C PRO A 41 0.657 7.489 -7.555 1.00 0.00 C ATOM 595 O PRO A 41 1.527 7.366 -8.418 1.00 0.00 O ATOM 596 CB PRO A 41 0.394 6.935 -5.122 1.00 0.00 C ATOM 597 CG PRO A 41 1.782 6.714 -4.627 1.00 0.00 C ATOM 598 CD PRO A 41 2.254 5.442 -5.274 1.00 0.00 C ATOM 0 HA PRO A 41 -0.557 5.938 -6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.134 7.994 -5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.336 6.422 -4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.429 7.550 -4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.800 6.629 -3.540 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.326 5.466 -5.472 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.066 4.575 -4.640 1.00 0.00 H new ATOM 606 N SER A 42 -0.100 8.576 -7.441 1.00 0.00 N ATOM 607 CA SER A 42 0.049 9.710 -8.346 1.00 0.00 C ATOM 608 C SER A 42 1.024 10.735 -7.776 1.00 0.00 C ATOM 609 O SER A 42 0.731 11.402 -6.783 1.00 0.00 O ATOM 610 CB SER A 42 -1.309 10.367 -8.601 1.00 0.00 C ATOM 611 OG SER A 42 -1.955 9.786 -9.720 1.00 0.00 O ATOM 0 H SER A 42 -0.823 8.695 -6.731 1.00 0.00 H new ATOM 0 HA SER A 42 0.449 9.340 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.939 10.261 -7.718 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.174 11.435 -8.770 1.00 0.00 H new ATOM 0 HG SER A 42 -2.821 10.222 -9.861 1.00 0.00 H new ATOM 617 N ASP A 43 2.185 10.855 -8.411 1.00 0.00 N ATOM 618 CA ASP A 43 3.204 11.799 -7.970 1.00 0.00 C ATOM 619 C ASP A 43 2.773 13.235 -8.250 1.00 0.00 C ATOM 620 O ASP A 43 2.854 13.708 -9.383 1.00 0.00 O ATOM 621 CB ASP A 43 4.535 11.508 -8.665 1.00 0.00 C ATOM 622 CG ASP A 43 4.362 11.194 -10.138 1.00 0.00 C ATOM 623 OD1 ASP A 43 3.672 11.969 -10.833 1.00 0.00 O ATOM 624 OD2 ASP A 43 4.915 10.172 -10.596 1.00 0.00 O ATOM 0 H ASP A 43 2.443 10.310 -9.233 1.00 0.00 H new ATOM 0 HA ASP A 43 3.332 11.681 -6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.195 12.369 -8.555 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.023 10.667 -8.172 1.00 0.00 H new ATOM 661 N LYS A 47 8.618 14.072 -6.869 1.00 0.00 N ATOM 662 CA LYS A 47 8.833 12.642 -7.052 1.00 0.00 C ATOM 663 C LYS A 47 8.956 11.934 -5.706 1.00 0.00 C ATOM 664 O LYS A 47 9.747 12.338 -4.852 1.00 0.00 O ATOM 665 CB LYS A 47 10.093 12.397 -7.886 1.00 0.00 C ATOM 666 CG LYS A 47 11.329 13.088 -7.338 1.00 0.00 C ATOM 667 CD LYS A 47 12.585 12.647 -8.070 1.00 0.00 C ATOM 668 CE LYS A 47 13.020 11.254 -7.641 1.00 0.00 C ATOM 669 NZ LYS A 47 13.670 11.263 -6.302 1.00 0.00 N ATOM 0 HA LYS A 47 7.971 12.235 -7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.280 11.325 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.917 12.741 -8.905 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.214 14.168 -7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.430 12.867 -6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.404 12.658 -9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.389 13.357 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.153 10.594 -7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.712 10.847 -8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.042 10.315 -6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.451 11.950 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.972 11.530 -5.579 1.00 0.00 H new ATOM 683 N ILE A 48 8.172 10.877 -5.524 1.00 0.00 N ATOM 684 CA ILE A 48 8.196 10.113 -4.284 1.00 0.00 C ATOM 685 C ILE A 48 9.578 9.522 -4.029 1.00 0.00 C ATOM 686 O ILE A 48 10.123 8.808 -4.870 1.00 0.00 O ATOM 687 CB ILE A 48 7.159 8.974 -4.304 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.749 9.542 -4.474 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.254 8.149 -3.029 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.727 8.508 -4.893 1.00 0.00 C ATOM 0 H ILE A 48 7.512 10.530 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 48 7.946 10.807 -3.481 1.00 0.00 H new ATOM 0 HB ILE A 48 7.372 8.323 -5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.432 9.994 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.774 10.338 -5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.515 7.348 -3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.252 7.719 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.063 8.788 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.751 8.982 -4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.020 8.073 -5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.673 7.723 -4.138 1.00 0.00 H new ATOM 702 N GLN A 49 10.139 9.824 -2.862 1.00 0.00 N ATOM 703 CA GLN A 49 11.458 9.321 -2.496 1.00 0.00 C ATOM 704 C GLN A 49 11.480 7.796 -2.501 1.00 0.00 C ATOM 705 O GLN A 49 12.191 7.179 -3.292 1.00 0.00 O ATOM 706 CB GLN A 49 11.862 9.844 -1.116 1.00 0.00 C ATOM 707 CG GLN A 49 11.856 11.361 -1.016 1.00 0.00 C ATOM 708 CD GLN A 49 12.008 11.852 0.411 1.00 0.00 C ATOM 709 OE1 GLN A 49 11.402 11.309 1.334 1.00 0.00 O ATOM 710 NE2 GLN A 49 12.821 12.885 0.598 1.00 0.00 N ATOM 0 H GLN A 49 9.701 10.414 -2.155 1.00 0.00 H new ATOM 0 HA GLN A 49 12.174 9.679 -3.236 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.182 9.436 -0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.859 9.476 -0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.666 11.765 -1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.924 11.745 -1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.304 13.305 -0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.963 13.259 1.536 1.00 0.00 H new ATOM 719 N ASN A 50 10.696 7.195 -1.612 1.00 0.00 N ATOM 720 CA ASN A 50 10.627 5.742 -1.513 1.00 0.00 C ATOM 721 C ASN A 50 9.334 5.304 -0.832 1.00 0.00 C ATOM 722 O ASN A 50 8.549 6.134 -0.373 1.00 0.00 O ATOM 723 CB ASN A 50 11.832 5.204 -0.739 1.00 0.00 C ATOM 724 CG ASN A 50 12.339 6.189 0.297 1.00 0.00 C ATOM 725 OD1 ASN A 50 11.445 6.646 1.166 1.00 0.00 O flip ATOM 726 ND2 ASN A 50 13.521 6.533 0.316 1.00 0.00 N flip ATOM 0 H ASN A 50 10.100 7.692 -0.950 1.00 0.00 H new ATOM 0 HA ASN A 50 10.641 5.333 -2.523 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.557 4.271 -0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.635 4.970 -1.438 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.173 6.156 -0.372 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.848 7.195 1.020 1.00 0.00 H new ATOM 733 N PHE A 51 9.119 3.994 -0.769 1.00 0.00 N ATOM 734 CA PHE A 51 7.921 3.445 -0.144 1.00 0.00 C ATOM 735 C PHE A 51 8.218 2.964 1.273 1.00 0.00 C ATOM 736 O PHE A 51 9.333 2.538 1.575 1.00 0.00 O ATOM 737 CB PHE A 51 7.367 2.290 -0.981 1.00 0.00 C ATOM 738 CG PHE A 51 6.679 2.737 -2.239 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.519 3.492 -2.179 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.192 2.403 -3.482 1.00 0.00 C ATOM 741 CE1 PHE A 51 4.883 3.904 -3.335 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.561 2.813 -4.642 1.00 0.00 C ATOM 743 CZ PHE A 51 5.406 3.565 -4.568 1.00 0.00 C ATOM 0 H PHE A 51 9.759 3.293 -1.143 1.00 0.00 H new ATOM 0 HA PHE A 51 7.174 4.237 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.184 1.617 -1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.664 1.718 -0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.107 3.762 -1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.096 1.815 -3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.978 4.490 -3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.971 2.545 -5.604 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.912 3.888 -5.472 1.00 0.00 H new ATOM 753 N VAL A 52 7.213 3.037 2.139 1.00 0.00 N ATOM 754 CA VAL A 52 7.365 2.609 3.525 1.00 0.00 C ATOM 755 C VAL A 52 6.328 1.553 3.891 1.00 0.00 C ATOM 756 O VAL A 52 5.165 1.870 4.143 1.00 0.00 O ATOM 757 CB VAL A 52 7.237 3.797 4.496 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.473 3.343 5.929 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.206 4.905 4.113 1.00 0.00 C ATOM 0 H VAL A 52 6.284 3.389 1.906 1.00 0.00 H new ATOM 0 HA VAL A 52 8.363 2.181 3.617 1.00 0.00 H new ATOM 0 HB VAL A 52 6.224 4.192 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.379 4.196 6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.736 2.586 6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.474 2.921 6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.102 5.737 4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.227 4.525 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.985 5.249 3.103 1.00 0.00 H new ATOM 769 N LEU A 53 6.756 0.296 3.919 1.00 0.00 N ATOM 770 CA LEU A 53 5.865 -0.809 4.255 1.00 0.00 C ATOM 771 C LEU A 53 5.938 -1.134 5.744 1.00 0.00 C ATOM 772 O LEU A 53 7.001 -1.043 6.357 1.00 0.00 O ATOM 773 CB LEU A 53 6.223 -2.048 3.433 1.00 0.00 C ATOM 774 CG LEU A 53 5.344 -3.279 3.656 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.950 -3.048 3.093 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.979 -4.509 3.025 1.00 0.00 C ATOM 0 H LEU A 53 7.715 0.016 3.713 1.00 0.00 H new ATOM 0 HA LEU A 53 4.845 -0.506 4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.181 -1.783 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.256 -2.319 3.653 1.00 0.00 H new ATOM 0 HG LEU A 53 5.257 -3.450 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.338 -3.934 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.494 -2.193 3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.018 -2.851 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.340 -5.376 3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.097 -4.348 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.956 -4.686 3.475 1.00 0.00 H new ATOM 788 N GLU A 54 4.801 -1.515 6.318 1.00 0.00 N ATOM 789 CA GLU A 54 4.738 -1.854 7.735 1.00 0.00 C ATOM 790 C GLU A 54 3.815 -3.048 7.967 1.00 0.00 C ATOM 791 O GLU A 54 2.893 -3.293 7.190 1.00 0.00 O ATOM 792 CB GLU A 54 4.252 -0.654 8.549 1.00 0.00 C ATOM 793 CG GLU A 54 5.355 0.331 8.900 1.00 0.00 C ATOM 794 CD GLU A 54 4.834 1.555 9.628 1.00 0.00 C ATOM 795 OE1 GLU A 54 3.665 1.928 9.398 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.596 2.140 10.426 1.00 0.00 O ATOM 0 H GLU A 54 3.912 -1.597 5.824 1.00 0.00 H new ATOM 0 HA GLU A 54 5.742 -2.123 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.477 -0.133 7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.791 -1.013 9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.098 -0.168 9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.862 0.644 7.987 1.00 0.00 H new ATOM 803 N TRP A 55 4.072 -3.785 9.041 1.00 0.00 N ATOM 804 CA TRP A 55 3.266 -4.953 9.377 1.00 0.00 C ATOM 805 C TRP A 55 3.357 -5.269 10.865 1.00 0.00 C ATOM 806 O TRP A 55 4.300 -4.855 11.540 1.00 0.00 O ATOM 807 CB TRP A 55 3.718 -6.163 8.558 1.00 0.00 C ATOM 808 CG TRP A 55 5.022 -6.739 9.021 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.134 -6.046 9.406 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.350 -8.128 9.145 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.133 -6.919 9.762 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.677 -8.202 9.612 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.651 -9.315 8.910 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.316 -9.417 9.845 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.287 -10.519 9.141 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.608 -10.563 9.606 1.00 0.00 C ATOM 0 H TRP A 55 4.832 -3.595 9.694 1.00 0.00 H new ATOM 0 HA TRP A 55 2.227 -4.727 9.136 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.950 -6.935 8.608 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.809 -5.871 7.512 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.216 -4.969 9.427 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.064 -6.655 10.086 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.632 -9.291 8.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.335 -9.453 10.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.757 -11.442 8.960 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.077 -11.521 9.779 1.00 0.00 H new ATOM 827 N ASP A 56 2.372 -6.003 11.372 1.00 0.00 N ATOM 828 CA ASP A 56 2.342 -6.375 12.781 1.00 0.00 C ATOM 829 C ASP A 56 3.088 -7.685 13.014 1.00 0.00 C ATOM 830 O ASP A 56 2.696 -8.492 13.856 1.00 0.00 O ATOM 831 CB ASP A 56 0.898 -6.503 13.267 1.00 0.00 C ATOM 832 CG ASP A 56 0.207 -7.732 12.710 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.433 -8.055 11.524 1.00 0.00 O ATOM 834 OD2 ASP A 56 -0.560 -8.372 13.459 1.00 0.00 O ATOM 0 H ASP A 56 1.583 -6.352 10.827 1.00 0.00 H new ATOM 0 HA ASP A 56 2.840 -5.589 13.349 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.887 -6.546 14.356 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.340 -5.613 12.977 1.00 0.00 H new ATOM 839 N GLU A 57 4.164 -7.890 12.260 1.00 0.00 N ATOM 840 CA GLU A 57 4.962 -9.104 12.383 1.00 0.00 C ATOM 841 C GLU A 57 4.071 -10.321 12.611 1.00 0.00 C ATOM 842 O GLU A 57 4.473 -11.285 13.261 1.00 0.00 O ATOM 843 CB GLU A 57 5.963 -8.968 13.532 1.00 0.00 C ATOM 844 CG GLU A 57 7.206 -8.174 13.167 1.00 0.00 C ATOM 845 CD GLU A 57 8.400 -8.529 14.032 1.00 0.00 C ATOM 846 OE1 GLU A 57 8.380 -9.609 14.657 1.00 0.00 O ATOM 847 OE2 GLU A 57 9.354 -7.724 14.084 1.00 0.00 O ATOM 0 H GLU A 57 4.503 -7.232 11.558 1.00 0.00 H new ATOM 0 HA GLU A 57 5.507 -9.245 11.450 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.470 -8.487 14.377 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.262 -9.963 13.862 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.454 -8.354 12.121 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.994 -7.109 13.266 1.00 0.00 H new ATOM 854 N GLY A 58 2.857 -10.268 12.071 1.00 0.00 N ATOM 855 CA GLY A 58 1.927 -11.371 12.227 1.00 0.00 C ATOM 856 C GLY A 58 1.841 -11.858 13.660 1.00 0.00 C ATOM 857 O GLY A 58 1.904 -13.060 13.920 1.00 0.00 O ATOM 0 H GLY A 58 2.501 -9.481 11.528 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.938 -11.058 11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.235 -12.196 11.584 1.00 0.00 H new ATOM 861 N LYS A 59 1.698 -10.924 14.593 1.00 0.00 N ATOM 862 CA LYS A 59 1.603 -11.264 16.008 1.00 0.00 C ATOM 863 C LYS A 59 0.152 -11.247 16.476 1.00 0.00 C ATOM 864 O LYS A 59 -0.303 -12.168 17.153 1.00 0.00 O ATOM 865 CB LYS A 59 2.431 -10.285 16.845 1.00 0.00 C ATOM 866 CG LYS A 59 3.876 -10.714 17.029 1.00 0.00 C ATOM 867 CD LYS A 59 4.669 -9.683 17.814 1.00 0.00 C ATOM 868 CE LYS A 59 6.167 -9.904 17.672 1.00 0.00 C ATOM 869 NZ LYS A 59 6.629 -11.084 18.454 1.00 0.00 N ATOM 0 H LYS A 59 1.645 -9.925 14.395 1.00 0.00 H new ATOM 0 HA LYS A 59 1.997 -12.271 16.141 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.410 -9.305 16.369 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.966 -10.174 17.825 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.909 -11.672 17.548 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.339 -10.864 16.054 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.413 -8.683 17.464 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.391 -9.733 18.867 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.415 -10.045 16.620 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.699 -9.014 18.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.655 -11.201 18.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.415 -10.938 19.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.140 -11.937 18.116 1.00 0.00 H new ATOM 883 N GLY A 60 -0.572 -10.193 16.109 1.00 0.00 N ATOM 884 CA GLY A 60 -1.965 -10.078 16.499 1.00 0.00 C ATOM 885 C GLY A 60 -2.152 -9.216 17.732 1.00 0.00 C ATOM 886 O GLY A 60 -2.949 -9.544 18.611 1.00 0.00 O ATOM 0 H GLY A 60 -0.218 -9.417 15.549 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.537 -9.655 15.673 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.369 -11.072 16.690 1.00 0.00 H new ATOM 890 N ASN A 61 -1.416 -8.112 17.798 1.00 0.00 N ATOM 891 CA ASN A 61 -1.503 -7.202 18.934 1.00 0.00 C ATOM 892 C ASN A 61 -1.983 -5.823 18.490 1.00 0.00 C ATOM 893 O ASN A 61 -2.821 -5.205 19.146 1.00 0.00 O ATOM 894 CB ASN A 61 -0.143 -7.082 19.624 1.00 0.00 C ATOM 895 CG ASN A 61 0.592 -8.407 19.687 1.00 0.00 C ATOM 896 OD1 ASN A 61 -0.027 -9.470 19.757 1.00 0.00 O ATOM 897 ND2 ASN A 61 1.918 -8.350 19.663 1.00 0.00 N ATOM 0 H ASN A 61 -0.752 -7.826 17.078 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.226 -7.610 19.640 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.469 -6.355 19.090 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.284 -6.699 20.635 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.466 -9.209 19.703 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.389 -7.447 19.604 1.00 0.00 H new ATOM 904 N GLY A 62 -1.447 -5.347 17.370 1.00 0.00 N ATOM 905 CA GLY A 62 -1.833 -4.045 16.858 1.00 0.00 C ATOM 906 C GLY A 62 -0.676 -3.066 16.833 1.00 0.00 C ATOM 907 O GLY A 62 -0.875 -1.859 16.968 1.00 0.00 O ATOM 0 H GLY A 62 -0.753 -5.840 16.808 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.231 -4.158 15.850 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.635 -3.639 17.474 1.00 0.00 H new ATOM 911 N GLU A 63 0.535 -3.586 16.661 1.00 0.00 N ATOM 912 CA GLU A 63 1.727 -2.748 16.622 1.00 0.00 C ATOM 913 C GLU A 63 2.452 -2.895 15.287 1.00 0.00 C ATOM 914 O GLU A 63 3.099 -3.910 15.027 1.00 0.00 O ATOM 915 CB GLU A 63 2.671 -3.112 17.770 1.00 0.00 C ATOM 916 CG GLU A 63 2.255 -2.527 19.109 1.00 0.00 C ATOM 917 CD GLU A 63 2.832 -1.145 19.346 1.00 0.00 C ATOM 918 OE1 GLU A 63 3.964 -1.056 19.866 1.00 0.00 O ATOM 919 OE2 GLU A 63 2.151 -0.153 19.012 1.00 0.00 O ATOM 0 H GLU A 63 0.716 -4.583 16.547 1.00 0.00 H new ATOM 0 HA GLU A 63 1.414 -1.710 16.734 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.722 -4.197 17.857 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.675 -2.764 17.527 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.167 -2.476 19.157 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.578 -3.194 19.909 1.00 0.00 H new ATOM 926 N PHE A 64 2.338 -1.875 14.443 1.00 0.00 N ATOM 927 CA PHE A 64 2.980 -1.890 13.134 1.00 0.00 C ATOM 928 C PHE A 64 4.414 -1.376 13.226 1.00 0.00 C ATOM 929 O PHE A 64 4.687 -0.384 13.902 1.00 0.00 O ATOM 930 CB PHE A 64 2.184 -1.039 12.142 1.00 0.00 C ATOM 931 CG PHE A 64 0.982 -1.742 11.578 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.148 -1.942 12.355 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.982 -2.203 10.272 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.254 -2.590 11.839 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.122 -2.851 9.750 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.242 -3.044 10.535 1.00 0.00 C ATOM 0 H PHE A 64 1.807 -1.027 14.642 1.00 0.00 H new ATOM 0 HA PHE A 64 3.004 -2.921 12.780 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.860 -0.124 12.638 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.839 -0.742 11.323 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.164 -1.587 13.375 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.855 -2.054 9.654 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.128 -2.741 12.456 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.109 -3.206 8.730 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.106 -3.549 10.130 1.00 0.00 H new ATOM 946 N CYS A 65 5.325 -2.059 12.541 1.00 0.00 N ATOM 947 CA CYS A 65 6.732 -1.673 12.545 1.00 0.00 C ATOM 948 C CYS A 65 7.312 -1.716 11.136 1.00 0.00 C ATOM 949 O CYS A 65 6.923 -2.552 10.320 1.00 0.00 O ATOM 950 CB CYS A 65 7.531 -2.595 13.467 1.00 0.00 C ATOM 951 SG CYS A 65 7.011 -2.540 15.198 1.00 0.00 S ATOM 0 H CYS A 65 5.115 -2.882 11.976 1.00 0.00 H new ATOM 0 HA CYS A 65 6.802 -0.650 12.915 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.442 -3.619 13.105 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.586 -2.326 13.407 1.00 0.00 H new ATOM 0 HG CYS A 65 7.744 -3.355 15.897 1.00 0.00 H new ATOM 957 N GLN A 66 8.242 -0.809 10.856 1.00 0.00 N ATOM 958 CA GLN A 66 8.874 -0.742 9.544 1.00 0.00 C ATOM 959 C GLN A 66 9.446 -2.099 9.145 1.00 0.00 C ATOM 960 O GLN A 66 10.332 -2.630 9.815 1.00 0.00 O ATOM 961 CB GLN A 66 9.982 0.312 9.540 1.00 0.00 C ATOM 962 CG GLN A 66 10.205 0.955 8.181 1.00 0.00 C ATOM 963 CD GLN A 66 10.869 2.314 8.281 1.00 0.00 C ATOM 964 OE1 GLN A 66 10.197 3.341 8.385 1.00 0.00 O ATOM 965 NE2 GLN A 66 12.197 2.329 8.249 1.00 0.00 N ATOM 0 H GLN A 66 8.575 -0.110 11.520 1.00 0.00 H new ATOM 0 HA GLN A 66 8.112 -0.460 8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.736 1.089 10.264 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.912 -0.149 9.871 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.822 0.297 7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.247 1.059 7.671 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.715 1.455 8.162 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.699 3.215 8.312 1.00 0.00 H new ATOM 974 N CYS A 67 8.933 -2.654 8.053 1.00 0.00 N ATOM 975 CA CYS A 67 9.392 -3.950 7.566 1.00 0.00 C ATOM 976 C CYS A 67 10.332 -3.782 6.377 1.00 0.00 C ATOM 977 O CYS A 67 11.408 -4.379 6.334 1.00 0.00 O ATOM 978 CB CYS A 67 8.199 -4.821 7.169 1.00 0.00 C ATOM 979 SG CYS A 67 8.511 -6.598 7.285 1.00 0.00 S ATOM 0 H CYS A 67 8.199 -2.227 7.488 1.00 0.00 H new ATOM 0 HA CYS A 67 9.938 -4.440 8.372 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.351 -4.570 7.806 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.911 -4.580 6.146 1.00 0.00 H new ATOM 0 HG CYS A 67 7.836 -7.093 8.279 1.00 0.00 H new ATOM 985 N TYR A 68 9.918 -2.967 5.413 1.00 0.00 N ATOM 986 CA TYR A 68 10.722 -2.723 4.221 1.00 0.00 C ATOM 987 C TYR A 68 10.566 -1.282 3.744 1.00 0.00 C ATOM 988 O TYR A 68 9.455 -0.760 3.662 1.00 0.00 O ATOM 989 CB TYR A 68 10.319 -3.688 3.103 1.00 0.00 C ATOM 990 CG TYR A 68 11.077 -3.470 1.813 1.00 0.00 C ATOM 991 CD1 TYR A 68 12.283 -4.117 1.575 1.00 0.00 C ATOM 992 CD2 TYR A 68 10.587 -2.616 0.833 1.00 0.00 C ATOM 993 CE1 TYR A 68 12.979 -3.920 0.398 1.00 0.00 C ATOM 994 CE2 TYR A 68 11.276 -2.414 -0.348 1.00 0.00 C ATOM 995 CZ TYR A 68 12.472 -3.068 -0.560 1.00 0.00 C ATOM 996 OH TYR A 68 13.161 -2.869 -1.734 1.00 0.00 O ATOM 0 H TYR A 68 9.031 -2.464 5.434 1.00 0.00 H new ATOM 0 HA TYR A 68 11.768 -2.890 4.478 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.481 -4.711 3.442 1.00 0.00 H new ATOM 0 HB3 TYR A 68 9.252 -3.582 2.910 1.00 0.00 H new ATOM 0 HD1 TYR A 68 12.683 -4.785 2.323 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.652 -2.101 0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.915 -4.431 0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.880 -1.748 -1.101 1.00 0.00 H new ATOM 0 HH TYR A 68 13.668 -3.678 -1.957 1.00 0.00 H new ATOM 1006 N MET A 69 11.690 -0.646 3.430 1.00 0.00 N ATOM 1007 CA MET A 69 11.680 0.734 2.959 1.00 0.00 C ATOM 1008 C MET A 69 12.654 0.921 1.800 1.00 0.00 C ATOM 1009 O MET A 69 13.868 0.840 1.978 1.00 0.00 O ATOM 1010 CB MET A 69 12.039 1.688 4.101 1.00 0.00 C ATOM 1011 CG MET A 69 12.226 3.128 3.654 1.00 0.00 C ATOM 1012 SD MET A 69 12.494 4.255 5.035 1.00 0.00 S ATOM 1013 CE MET A 69 12.440 5.837 4.197 1.00 0.00 C ATOM 0 H MET A 69 12.618 -1.064 3.493 1.00 0.00 H new ATOM 0 HA MET A 69 10.675 0.963 2.606 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.254 1.650 4.856 1.00 0.00 H new ATOM 0 HB3 MET A 69 12.956 1.342 4.578 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.075 3.186 2.973 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.347 3.448 3.095 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.591 6.638 4.921 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.227 5.877 3.443 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.470 5.961 3.716 1.00 0.00 H new ATOM 1023 N GLY A 70 12.112 1.170 0.612 1.00 0.00 N ATOM 1024 CA GLY A 70 12.948 1.363 -0.559 1.00 0.00 C ATOM 1025 C GLY A 70 12.147 1.747 -1.787 1.00 0.00 C ATOM 1026 O GLY A 70 10.975 2.110 -1.683 1.00 0.00 O ATOM 0 H GLY A 70 11.109 1.242 0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.684 2.140 -0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.501 0.446 -0.762 1.00 0.00 H new ATOM 1030 N SER A 71 12.779 1.669 -2.953 1.00 0.00 N ATOM 1031 CA SER A 71 12.119 2.016 -4.206 1.00 0.00 C ATOM 1032 C SER A 71 11.237 0.870 -4.691 1.00 0.00 C ATOM 1033 O SER A 71 10.055 1.061 -4.975 1.00 0.00 O ATOM 1034 CB SER A 71 13.157 2.364 -5.274 1.00 0.00 C ATOM 1035 OG SER A 71 12.536 2.866 -6.445 1.00 0.00 O ATOM 0 H SER A 71 13.748 1.368 -3.056 1.00 0.00 H new ATOM 0 HA SER A 71 11.487 2.886 -4.027 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.853 3.105 -4.881 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.741 1.477 -5.520 1.00 0.00 H new ATOM 0 HG SER A 71 13.221 3.082 -7.111 1.00 0.00 H new ATOM 1041 N GLN A 72 11.822 -0.320 -4.783 1.00 0.00 N ATOM 1042 CA GLN A 72 11.089 -1.498 -5.235 1.00 0.00 C ATOM 1043 C GLN A 72 9.663 -1.491 -4.696 1.00 0.00 C ATOM 1044 O GLN A 72 9.384 -0.899 -3.653 1.00 0.00 O ATOM 1045 CB GLN A 72 11.809 -2.773 -4.792 1.00 0.00 C ATOM 1046 CG GLN A 72 12.884 -3.233 -5.763 1.00 0.00 C ATOM 1047 CD GLN A 72 12.349 -4.177 -6.822 1.00 0.00 C ATOM 1048 OE1 GLN A 72 11.929 -5.295 -6.519 1.00 0.00 O ATOM 1049 NE2 GLN A 72 12.359 -3.732 -8.073 1.00 0.00 N ATOM 0 H GLN A 72 12.800 -0.494 -4.551 1.00 0.00 H new ATOM 0 HA GLN A 72 11.046 -1.473 -6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.262 -2.604 -3.815 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.076 -3.570 -4.670 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.327 -2.363 -6.248 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.681 -3.729 -5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.716 -2.799 -8.280 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.010 -4.323 -8.827 1.00 0.00 H new ATOM 1058 N LYS A 73 8.762 -2.154 -5.413 1.00 0.00 N ATOM 1059 CA LYS A 73 7.363 -2.226 -5.007 1.00 0.00 C ATOM 1060 C LYS A 73 6.953 -3.668 -4.723 1.00 0.00 C ATOM 1061 O LYS A 73 5.771 -4.006 -4.773 1.00 0.00 O ATOM 1062 CB LYS A 73 6.464 -1.634 -6.095 1.00 0.00 C ATOM 1063 CG LYS A 73 6.687 -0.149 -6.326 1.00 0.00 C ATOM 1064 CD LYS A 73 5.920 0.348 -7.540 1.00 0.00 C ATOM 1065 CE LYS A 73 6.729 0.181 -8.817 1.00 0.00 C ATOM 1066 NZ LYS A 73 5.862 0.190 -10.028 1.00 0.00 N ATOM 0 H LYS A 73 8.976 -2.649 -6.279 1.00 0.00 H new ATOM 0 HA LYS A 73 7.245 -1.646 -4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.638 -2.169 -7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.421 -1.798 -5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.374 0.408 -5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.751 0.043 -6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.982 -0.200 -7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.664 1.399 -7.405 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.463 0.984 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.285 -0.756 -8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.451 0.074 -10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.178 -0.591 -9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.351 1.094 -10.082 1.00 0.00 H new ATOM 1080 N GLN A 74 7.936 -4.510 -4.425 1.00 0.00 N ATOM 1081 CA GLN A 74 7.676 -5.915 -4.133 1.00 0.00 C ATOM 1082 C GLN A 74 8.664 -6.448 -3.101 1.00 0.00 C ATOM 1083 O GLN A 74 9.875 -6.266 -3.234 1.00 0.00 O ATOM 1084 CB GLN A 74 7.758 -6.748 -5.413 1.00 0.00 C ATOM 1085 CG GLN A 74 7.732 -8.247 -5.166 1.00 0.00 C ATOM 1086 CD GLN A 74 8.354 -9.037 -6.301 1.00 0.00 C ATOM 1087 OE1 GLN A 74 9.539 -8.887 -6.600 1.00 0.00 O ATOM 1088 NE2 GLN A 74 7.556 -9.884 -6.940 1.00 0.00 N ATOM 0 H GLN A 74 8.920 -4.245 -4.379 1.00 0.00 H new ATOM 0 HA GLN A 74 6.670 -5.994 -3.721 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.926 -6.481 -6.064 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.674 -6.492 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.264 -8.468 -4.241 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.701 -8.570 -5.026 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.580 -9.976 -6.658 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.919 -10.443 -7.712 1.00 0.00 H new ATOM 1097 N PHE A 75 8.141 -7.107 -2.073 1.00 0.00 N ATOM 1098 CA PHE A 75 8.977 -7.666 -1.017 1.00 0.00 C ATOM 1099 C PHE A 75 8.398 -8.981 -0.503 1.00 0.00 C ATOM 1100 O PHE A 75 7.220 -9.060 -0.154 1.00 0.00 O ATOM 1101 CB PHE A 75 9.112 -6.670 0.137 1.00 0.00 C ATOM 1102 CG PHE A 75 9.694 -7.272 1.384 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.852 -8.031 1.327 1.00 0.00 C ATOM 1104 CD2 PHE A 75 9.083 -7.080 2.612 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.389 -8.587 2.473 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.616 -7.633 3.761 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.771 -8.387 3.692 1.00 0.00 C ATOM 0 H PHE A 75 7.141 -7.267 -1.948 1.00 0.00 H new ATOM 0 HA PHE A 75 9.964 -7.863 -1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.740 -5.839 -0.183 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.130 -6.257 0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.340 -8.190 0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.180 -6.491 2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.291 -9.178 2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.130 -7.476 4.712 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.190 -8.819 4.589 1.00 0.00 H new ATOM 1117 N LYS A 76 9.234 -10.012 -0.461 1.00 0.00 N ATOM 1118 CA LYS A 76 8.808 -11.325 0.010 1.00 0.00 C ATOM 1119 C LYS A 76 9.305 -11.581 1.430 1.00 0.00 C ATOM 1120 O LYS A 76 10.500 -11.772 1.654 1.00 0.00 O ATOM 1121 CB LYS A 76 9.325 -12.419 -0.927 1.00 0.00 C ATOM 1122 CG LYS A 76 9.238 -13.816 -0.338 1.00 0.00 C ATOM 1123 CD LYS A 76 9.385 -14.883 -1.410 1.00 0.00 C ATOM 1124 CE LYS A 76 9.713 -16.239 -0.804 1.00 0.00 C ATOM 1125 NZ LYS A 76 10.444 -17.113 -1.763 1.00 0.00 N ATOM 0 H LYS A 76 10.212 -9.964 -0.748 1.00 0.00 H new ATOM 0 HA LYS A 76 7.718 -11.345 0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.755 -12.389 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.363 -12.206 -1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.017 -13.944 0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.282 -13.939 0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.461 -14.954 -1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.172 -14.594 -2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.317 -16.100 0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.791 -16.731 -0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.649 -18.028 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.858 -17.267 -2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.336 -16.655 -2.039 1.00 0.00 H new ATOM 1139 N ILE A 77 8.380 -11.585 2.384 1.00 0.00 N ATOM 1140 CA ILE A 77 8.724 -11.820 3.780 1.00 0.00 C ATOM 1141 C ILE A 77 8.838 -13.312 4.074 1.00 0.00 C ATOM 1142 O ILE A 77 7.835 -14.022 4.142 1.00 0.00 O ATOM 1143 CB ILE A 77 7.682 -11.200 4.729 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.661 -9.678 4.574 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.981 -11.586 6.170 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.308 -9.061 4.851 1.00 0.00 C ATOM 0 H ILE A 77 7.386 -11.428 2.215 1.00 0.00 H new ATOM 0 HA ILE A 77 9.689 -11.343 3.952 1.00 0.00 H new ATOM 0 HB ILE A 77 6.698 -11.588 4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.396 -9.242 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.968 -9.420 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.236 -11.140 6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.951 -12.671 6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.972 -11.224 6.446 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.368 -7.980 4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.573 -9.469 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.007 -9.288 5.874 1.00 0.00 H new ATOM 1158 N THR A 78 10.069 -13.782 4.250 1.00 0.00 N ATOM 1159 CA THR A 78 10.316 -15.190 4.538 1.00 0.00 C ATOM 1160 C THR A 78 10.416 -15.435 6.039 1.00 0.00 C ATOM 1161 O THR A 78 10.227 -14.520 6.842 1.00 0.00 O ATOM 1162 CB THR A 78 11.609 -15.683 3.862 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.669 -14.749 4.092 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.402 -15.865 2.366 1.00 0.00 C ATOM 0 H THR A 78 10.911 -13.208 4.198 1.00 0.00 H new ATOM 0 HA THR A 78 9.470 -15.748 4.137 1.00 0.00 H new ATOM 0 HB THR A 78 11.875 -16.647 4.296 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.488 -15.071 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.329 -16.214 1.910 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.615 -16.599 2.194 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.114 -14.913 1.920 1.00 0.00 H new ATOM 1172 N LYS A 79 10.714 -16.674 6.413 1.00 0.00 N ATOM 1173 CA LYS A 79 10.841 -17.040 7.819 1.00 0.00 C ATOM 1174 C LYS A 79 9.530 -16.809 8.562 1.00 0.00 C ATOM 1175 O LYS A 79 9.509 -16.196 9.630 1.00 0.00 O ATOM 1176 CB LYS A 79 11.962 -16.233 8.478 1.00 0.00 C ATOM 1177 CG LYS A 79 13.321 -16.437 7.830 1.00 0.00 C ATOM 1178 CD LYS A 79 14.048 -17.632 8.425 1.00 0.00 C ATOM 1179 CE LYS A 79 15.350 -17.914 7.691 1.00 0.00 C ATOM 1180 NZ LYS A 79 15.125 -18.691 6.441 1.00 0.00 N ATOM 0 H LYS A 79 10.872 -17.443 5.762 1.00 0.00 H new ATOM 0 HA LYS A 79 11.086 -18.101 7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.706 -15.174 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.026 -16.508 9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.195 -16.583 6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.926 -15.540 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.256 -17.445 9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.405 -18.511 8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.842 -16.972 7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.024 -18.467 8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.036 -18.863 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.679 -19.601 6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.503 -18.153 5.805 1.00 0.00 H new ATOM 1194 N LEU A 80 8.437 -17.305 7.992 1.00 0.00 N ATOM 1195 CA LEU A 80 7.120 -17.154 8.602 1.00 0.00 C ATOM 1196 C LEU A 80 6.528 -18.513 8.963 1.00 0.00 C ATOM 1197 O LEU A 80 7.170 -19.548 8.783 1.00 0.00 O ATOM 1198 CB LEU A 80 6.179 -16.411 7.652 1.00 0.00 C ATOM 1199 CG LEU A 80 6.510 -14.941 7.394 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.428 -14.292 6.544 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.679 -14.193 8.708 1.00 0.00 C ATOM 0 H LEU A 80 8.437 -17.815 7.109 1.00 0.00 H new ATOM 0 HA LEU A 80 7.235 -16.574 9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.172 -16.935 6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.168 -16.470 8.055 1.00 0.00 H new ATOM 0 HG LEU A 80 7.452 -14.891 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.680 -13.246 6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.356 -14.811 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.472 -14.353 7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.914 -13.148 8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.754 -14.252 9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.490 -14.643 9.281 1.00 0.00 H new ATOM 1213 N SER A 81 5.300 -18.502 9.470 1.00 0.00 N ATOM 1214 CA SER A 81 4.622 -19.733 9.858 1.00 0.00 C ATOM 1215 C SER A 81 3.236 -19.812 9.225 1.00 0.00 C ATOM 1216 O SER A 81 2.591 -18.799 8.952 1.00 0.00 O ATOM 1217 CB SER A 81 4.505 -19.819 11.381 1.00 0.00 C ATOM 1218 OG SER A 81 3.903 -18.651 11.912 1.00 0.00 O ATOM 0 H SER A 81 4.754 -17.654 9.622 1.00 0.00 H new ATOM 0 HA SER A 81 5.216 -20.574 9.499 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.914 -20.693 11.655 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.494 -19.953 11.818 1.00 0.00 H new ATOM 0 HG SER A 81 3.838 -18.731 12.887 1.00 0.00 H new ATOM 1224 N PRO A 82 2.765 -21.045 8.985 1.00 0.00 N ATOM 1225 CA PRO A 82 1.451 -21.287 8.383 1.00 0.00 C ATOM 1226 C PRO A 82 0.306 -20.927 9.323 1.00 0.00 C ATOM 1227 O PRO A 82 0.421 -21.071 10.540 1.00 0.00 O ATOM 1228 CB PRO A 82 1.460 -22.793 8.105 1.00 0.00 C ATOM 1229 CG PRO A 82 2.427 -23.354 9.090 1.00 0.00 C ATOM 1230 CD PRO A 82 3.479 -22.298 9.285 1.00 0.00 C ATOM 0 HA PRO A 82 1.292 -20.676 7.495 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.468 -23.225 8.234 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.769 -23.005 7.082 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.932 -23.590 10.032 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.867 -24.280 8.720 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.870 -22.304 10.302 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.327 -22.447 8.616 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.798 -20.458 8.751 1.00 0.00 N ATOM 1239 CA ALA A 83 -1.965 -20.079 9.539 1.00 0.00 C ATOM 1240 C ALA A 83 -1.639 -18.927 10.484 1.00 0.00 C ATOM 1241 O ALA A 83 -2.100 -18.899 11.625 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.484 -21.276 10.323 1.00 0.00 C ATOM 0 H ALA A 83 -0.909 -20.331 7.745 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.742 -19.743 8.853 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.355 -20.979 10.907 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.765 -22.070 9.631 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.704 -21.638 10.993 1.00 0.00 H new ATOM 1248 N MET A 84 -0.841 -17.980 10.001 1.00 0.00 N ATOM 1249 CA MET A 84 -0.454 -16.825 10.804 1.00 0.00 C ATOM 1250 C MET A 84 -0.977 -15.533 10.184 1.00 0.00 C ATOM 1251 O MET A 84 -0.395 -15.009 9.235 1.00 0.00 O ATOM 1252 CB MET A 84 1.068 -16.760 10.941 1.00 0.00 C ATOM 1253 CG MET A 84 1.566 -15.468 11.568 1.00 0.00 C ATOM 1254 SD MET A 84 3.330 -15.203 11.304 1.00 0.00 S ATOM 1255 CE MET A 84 3.302 -14.159 9.849 1.00 0.00 C ATOM 0 H MET A 84 -0.450 -17.989 9.059 1.00 0.00 H new ATOM 0 HA MET A 84 -0.896 -16.937 11.794 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.407 -17.602 11.545 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.519 -16.873 9.955 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.010 -14.628 11.151 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.361 -15.486 12.638 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.562 -14.751 8.971 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.304 -13.740 9.721 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.023 -13.350 9.968 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.079 -15.024 10.727 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.661 -13.798 10.214 1.00 0.00 C ATOM 1267 C GLY A 85 -1.767 -12.594 10.437 1.00 0.00 C ATOM 1268 O GLY A 85 -1.449 -12.251 11.577 1.00 0.00 O ATOM 0 H GLY A 85 -2.579 -15.439 11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.855 -13.910 9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.623 -13.627 10.697 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.358 -11.953 9.348 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.492 -10.782 9.430 1.00 0.00 C ATOM 1274 C CYS A 86 -1.045 -9.638 8.586 1.00 0.00 C ATOM 1275 O CYS A 86 -1.447 -9.835 7.439 1.00 0.00 O ATOM 1276 CB CYS A 86 0.923 -11.134 8.969 1.00 0.00 C ATOM 1277 SG CYS A 86 0.981 -12.319 7.605 1.00 0.00 S ATOM 0 H CYS A 86 -1.612 -12.224 8.398 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.457 -10.459 10.470 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.432 -10.220 8.664 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.478 -11.541 9.814 1.00 0.00 H new ATOM 0 HG CYS A 86 0.495 -13.458 7.999 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.063 -8.440 9.162 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.566 -7.263 8.465 1.00 0.00 C ATOM 1285 C LYS A 87 -0.420 -6.449 7.874 1.00 0.00 C ATOM 1286 O LYS A 87 0.735 -6.607 8.269 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.386 -6.391 9.419 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.729 -6.994 9.792 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.548 -6.044 10.650 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.717 -6.758 11.311 1.00 0.00 C ATOM 1291 NZ LYS A 87 -5.298 -7.490 12.538 1.00 0.00 N ATOM 0 H LYS A 87 -0.735 -8.259 10.111 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.206 -7.601 7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.809 -6.220 10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.550 -5.417 8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.284 -7.237 8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.572 -7.929 10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.910 -5.602 11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.921 -5.226 10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.488 -6.032 11.567 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.161 -7.459 10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.123 -7.963 12.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.580 -8.201 12.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.897 -6.818 13.223 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.746 -5.577 6.925 1.00 0.00 N ATOM 1306 CA PHE A 88 0.257 -4.738 6.280 1.00 0.00 C ATOM 1307 C PHE A 88 -0.344 -3.402 5.853 1.00 0.00 C ATOM 1308 O PHE A 88 -1.561 -3.215 5.895 1.00 0.00 O ATOM 1309 CB PHE A 88 0.848 -5.456 5.065 1.00 0.00 C ATOM 1310 CG PHE A 88 1.313 -6.853 5.361 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.400 -7.887 5.493 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.662 -7.132 5.508 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.824 -9.174 5.766 1.00 0.00 C ATOM 1314 CE2 PHE A 88 3.092 -8.417 5.780 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.172 -9.439 5.910 1.00 0.00 C ATOM 0 H PHE A 88 -1.697 -5.433 6.586 1.00 0.00 H new ATOM 0 HA PHE A 88 1.051 -4.545 7.001 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.099 -5.491 4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.688 -4.875 4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.655 -7.685 5.381 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.386 -6.336 5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.102 -9.971 5.867 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.147 -8.622 5.891 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.506 -10.444 6.124 1.00 0.00 H new ATOM 1325 N ARG A 89 0.517 -2.476 5.444 1.00 0.00 N ATOM 1326 CA ARG A 89 0.071 -1.157 5.011 1.00 0.00 C ATOM 1327 C ARG A 89 1.125 -0.489 4.133 1.00 0.00 C ATOM 1328 O ARG A 89 2.320 -0.540 4.430 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.232 -0.275 6.223 1.00 0.00 C ATOM 1330 CG ARG A 89 0.987 0.025 7.079 1.00 0.00 C ATOM 1331 CD ARG A 89 0.727 1.178 8.036 1.00 0.00 C ATOM 1332 NE ARG A 89 0.153 0.722 9.299 1.00 0.00 N ATOM 1333 CZ ARG A 89 -0.309 1.544 10.235 1.00 0.00 C ATOM 1334 NH1 ARG A 89 -0.266 2.856 10.050 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -0.816 1.053 11.359 1.00 0.00 N ATOM 0 H ARG A 89 1.527 -2.615 5.403 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.839 -1.282 4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.664 0.665 5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.986 -0.765 6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.262 -0.864 7.646 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.833 0.268 6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.661 1.705 8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.050 1.893 7.567 1.00 0.00 H new ATOM 0 HE ARG A 89 0.104 -0.282 9.472 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.123 3.237 9.187 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.621 3.485 10.770 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.851 0.044 11.505 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.170 1.685 12.077 1.00 0.00 H new ATOM 1349 N LEU A 90 0.676 0.138 3.051 1.00 0.00 N ATOM 1350 CA LEU A 90 1.580 0.816 2.129 1.00 0.00 C ATOM 1351 C LEU A 90 1.379 2.327 2.183 1.00 0.00 C ATOM 1352 O LEU A 90 0.255 2.809 2.325 1.00 0.00 O ATOM 1353 CB LEU A 90 1.359 0.311 0.703 1.00 0.00 C ATOM 1354 CG LEU A 90 2.296 0.880 -0.364 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.661 0.216 -0.284 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.695 0.704 -1.751 1.00 0.00 C ATOM 0 H LEU A 90 -0.309 0.191 2.791 1.00 0.00 H new ATOM 0 HA LEU A 90 2.603 0.593 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.459 -0.774 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.332 0.537 0.414 1.00 0.00 H new ATOM 0 HG LEU A 90 2.422 1.947 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.314 0.633 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.095 0.395 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.554 -0.857 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.375 1.115 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.538 -0.357 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.741 1.228 -1.803 1.00 0.00 H new ATOM 1368 N SER A 91 2.475 3.070 2.065 1.00 0.00 N ATOM 1369 CA SER A 91 2.419 4.527 2.102 1.00 0.00 C ATOM 1370 C SER A 91 3.596 5.134 1.344 1.00 0.00 C ATOM 1371 O SER A 91 4.717 4.632 1.410 1.00 0.00 O ATOM 1372 CB SER A 91 2.419 5.022 3.549 1.00 0.00 C ATOM 1373 OG SER A 91 3.558 4.553 4.249 1.00 0.00 O ATOM 0 H SER A 91 3.412 2.687 1.943 1.00 0.00 H new ATOM 0 HA SER A 91 1.495 4.844 1.618 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.403 6.112 3.564 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.514 4.683 4.053 1.00 0.00 H new ATOM 0 HG SER A 91 3.551 4.909 5.162 1.00 0.00 H new ATOM 1379 N ALA A 92 3.331 6.220 0.625 1.00 0.00 N ATOM 1380 CA ALA A 92 4.367 6.899 -0.144 1.00 0.00 C ATOM 1381 C ALA A 92 4.819 8.177 0.554 1.00 0.00 C ATOM 1382 O ALA A 92 4.003 8.922 1.096 1.00 0.00 O ATOM 1383 CB ALA A 92 3.865 7.209 -1.546 1.00 0.00 C ATOM 0 H ALA A 92 2.408 6.648 0.559 1.00 0.00 H new ATOM 0 HA ALA A 92 5.227 6.233 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.649 7.716 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.598 6.280 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.988 7.853 -1.484 1.00 0.00 H new ATOM 1389 N ARG A 93 6.125 8.425 0.535 1.00 0.00 N ATOM 1390 CA ARG A 93 6.685 9.613 1.168 1.00 0.00 C ATOM 1391 C ARG A 93 7.599 10.363 0.203 1.00 0.00 C ATOM 1392 O ARG A 93 8.487 9.774 -0.411 1.00 0.00 O ATOM 1393 CB ARG A 93 7.463 9.227 2.427 1.00 0.00 C ATOM 1394 CG ARG A 93 8.263 10.374 3.024 1.00 0.00 C ATOM 1395 CD ARG A 93 9.410 9.865 3.883 1.00 0.00 C ATOM 1396 NE ARG A 93 9.757 10.804 4.947 1.00 0.00 N ATOM 1397 CZ ARG A 93 10.756 10.612 5.800 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.505 9.521 5.714 1.00 0.00 N ATOM 1399 NH2 ARG A 93 11.010 11.513 6.741 1.00 0.00 N ATOM 0 H ARG A 93 6.814 7.820 0.089 1.00 0.00 H new ATOM 0 HA ARG A 93 5.860 10.269 1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.764 8.854 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.141 8.408 2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.657 11.000 2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.607 11.002 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.136 8.906 4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.283 9.690 3.255 1.00 0.00 H new ATOM 0 HE ARG A 93 9.201 11.654 5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.314 8.827 4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.272 9.376 6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.437 12.354 6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.778 11.364 7.396 1.00 0.00 H new ATOM 1413 N ASN A 94 7.372 11.667 0.074 1.00 0.00 N ATOM 1414 CA ASN A 94 8.174 12.497 -0.817 1.00 0.00 C ATOM 1415 C ASN A 94 8.856 13.623 -0.045 1.00 0.00 C ATOM 1416 O ASN A 94 8.722 13.722 1.175 1.00 0.00 O ATOM 1417 CB ASN A 94 7.299 13.082 -1.927 1.00 0.00 C ATOM 1418 CG ASN A 94 6.180 13.950 -1.385 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.035 14.110 -0.173 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.381 14.514 -2.283 1.00 0.00 N ATOM 0 H ASN A 94 6.640 12.171 0.575 1.00 0.00 H new ATOM 0 HA ASN A 94 8.944 11.868 -1.263 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.919 13.673 -2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.872 12.270 -2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.610 15.108 -1.978 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.539 14.354 -3.278 1.00 0.00 H new ATOM 1427 N ASP A 95 9.585 14.469 -0.764 1.00 0.00 N ATOM 1428 CA ASP A 95 10.286 15.590 -0.148 1.00 0.00 C ATOM 1429 C ASP A 95 9.485 16.155 1.022 1.00 0.00 C ATOM 1430 O ASP A 95 10.039 16.454 2.079 1.00 0.00 O ATOM 1431 CB ASP A 95 10.546 16.687 -1.181 1.00 0.00 C ATOM 1432 CG ASP A 95 11.609 17.668 -0.728 1.00 0.00 C ATOM 1433 OD1 ASP A 95 12.443 17.290 0.121 1.00 0.00 O ATOM 1434 OD2 ASP A 95 11.607 18.814 -1.223 1.00 0.00 O ATOM 0 H ASP A 95 9.706 14.400 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 95 11.241 15.225 0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.854 16.231 -2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 95 9.619 17.225 -1.376 1.00 0.00 H new ATOM 1439 N TYR A 96 8.180 16.299 0.823 1.00 0.00 N ATOM 1440 CA TYR A 96 7.303 16.831 1.860 1.00 0.00 C ATOM 1441 C TYR A 96 7.256 15.898 3.066 1.00 0.00 C ATOM 1442 O TYR A 96 7.789 16.211 4.129 1.00 0.00 O ATOM 1443 CB TYR A 96 5.892 17.039 1.307 1.00 0.00 C ATOM 1444 CG TYR A 96 5.831 18.020 0.158 1.00 0.00 C ATOM 1445 CD1 TYR A 96 5.988 17.594 -1.155 1.00 0.00 C ATOM 1446 CD2 TYR A 96 5.616 19.374 0.385 1.00 0.00 C ATOM 1447 CE1 TYR A 96 5.934 18.487 -2.208 1.00 0.00 C ATOM 1448 CE2 TYR A 96 5.558 20.274 -0.661 1.00 0.00 C ATOM 1449 CZ TYR A 96 5.718 19.826 -1.956 1.00 0.00 C ATOM 1450 OH TYR A 96 5.662 20.719 -3.001 1.00 0.00 O ATOM 0 H TYR A 96 7.706 16.055 -0.046 1.00 0.00 H new ATOM 0 HA TYR A 96 7.705 17.791 2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.495 16.079 0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.244 17.392 2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.155 16.546 -1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.492 19.729 1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.060 18.139 -3.222 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.388 21.323 -0.466 1.00 0.00 H new ATOM 0 HH TYR A 96 5.502 21.621 -2.652 1.00 0.00 H new ATOM 1460 N GLY A 97 6.613 14.747 2.891 1.00 0.00 N ATOM 1461 CA GLY A 97 6.507 13.784 3.971 1.00 0.00 C ATOM 1462 C GLY A 97 5.704 12.560 3.581 1.00 0.00 C ATOM 1463 O GLY A 97 5.224 12.456 2.451 1.00 0.00 O ATOM 0 H GLY A 97 6.164 14.465 2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.506 13.476 4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.041 14.260 4.834 1.00 0.00 H new ATOM 1467 N THR A 98 5.557 11.627 4.517 1.00 0.00 N ATOM 1468 CA THR A 98 4.808 10.402 4.264 1.00 0.00 C ATOM 1469 C THR A 98 3.309 10.674 4.218 1.00 0.00 C ATOM 1470 O THR A 98 2.739 11.225 5.159 1.00 0.00 O ATOM 1471 CB THR A 98 5.093 9.338 5.340 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.505 9.142 5.474 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.424 8.018 4.987 1.00 0.00 C ATOM 0 H THR A 98 5.947 11.696 5.457 1.00 0.00 H new ATOM 0 HA THR A 98 5.136 10.025 3.295 1.00 0.00 H new ATOM 0 HB THR A 98 4.685 9.692 6.286 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.678 8.465 6.161 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.640 7.282 5.762 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.346 8.164 4.915 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.806 7.661 4.031 1.00 0.00 H new ATOM 1481 N SER A 99 2.675 10.282 3.117 1.00 0.00 N ATOM 1482 CA SER A 99 1.241 10.486 2.947 1.00 0.00 C ATOM 1483 C SER A 99 0.449 9.402 3.671 1.00 0.00 C ATOM 1484 O SER A 99 0.968 8.324 3.958 1.00 0.00 O ATOM 1485 CB SER A 99 0.878 10.493 1.461 1.00 0.00 C ATOM 1486 OG SER A 99 1.309 9.302 0.825 1.00 0.00 O ATOM 0 H SER A 99 3.132 9.822 2.330 1.00 0.00 H new ATOM 0 HA SER A 99 0.982 11.452 3.381 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.201 10.600 1.347 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.336 11.355 0.976 1.00 0.00 H new ATOM 0 HG SER A 99 2.288 9.272 0.816 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.814 9.696 3.964 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.659 8.738 4.652 1.00 0.00 C ATOM 1494 C GLY A 100 -1.348 7.306 4.263 1.00 0.00 C ATOM 1495 O GLY A 100 -0.955 7.035 3.128 1.00 0.00 O ATOM 0 H GLY A 100 -1.267 10.581 3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.533 8.854 5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.704 8.953 4.428 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.522 6.387 5.206 1.00 0.00 N ATOM 1500 CA PHE A 101 -1.254 4.975 4.957 1.00 0.00 C ATOM 1501 C PHE A 101 -2.480 4.285 4.366 1.00 0.00 C ATOM 1502 O PHE A 101 -3.604 4.499 4.818 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.838 4.277 6.254 1.00 0.00 C ATOM 1504 CG PHE A 101 0.521 4.686 6.745 1.00 0.00 C ATOM 1505 CD1 PHE A 101 1.656 4.008 6.330 1.00 0.00 C ATOM 1506 CD2 PHE A 101 0.664 5.749 7.623 1.00 0.00 C ATOM 1507 CE1 PHE A 101 2.907 4.382 6.782 1.00 0.00 C ATOM 1508 CE2 PHE A 101 1.913 6.128 8.077 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.036 5.444 7.655 1.00 0.00 C ATOM 0 H PHE A 101 -1.848 6.594 6.150 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.438 4.907 4.237 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.575 4.494 7.027 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.849 3.198 6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.562 3.178 5.646 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.211 6.287 7.956 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.784 3.844 6.453 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.011 6.958 8.761 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.013 5.739 8.007 1.00 0.00 H new ATOM 1519 N SER A 102 -2.253 3.457 3.351 1.00 0.00 N ATOM 1520 CA SER A 102 -3.338 2.739 2.693 1.00 0.00 C ATOM 1521 C SER A 102 -4.219 2.030 3.717 1.00 0.00 C ATOM 1522 O SER A 102 -3.941 2.058 4.916 1.00 0.00 O ATOM 1523 CB SER A 102 -2.776 1.723 1.697 1.00 0.00 C ATOM 1524 OG SER A 102 -2.119 0.661 2.368 1.00 0.00 O ATOM 0 H SER A 102 -1.327 3.267 2.967 1.00 0.00 H new ATOM 0 HA SER A 102 -3.947 3.465 2.155 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.584 1.325 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.078 2.218 1.022 1.00 0.00 H new ATOM 0 HG SER A 102 -1.826 -0.008 1.714 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.283 1.395 3.235 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.205 0.679 4.108 1.00 0.00 C ATOM 1532 C GLU A 103 -5.573 -0.608 4.630 1.00 0.00 C ATOM 1533 O GLU A 103 -5.138 -1.457 3.853 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.502 0.357 3.363 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.258 1.590 2.896 1.00 0.00 C ATOM 1536 CD GLU A 103 -7.615 2.245 1.689 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -7.853 1.771 0.558 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -6.874 3.233 1.875 1.00 0.00 O ATOM 0 H GLU A 103 -5.527 1.362 2.245 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.432 1.322 4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.270 -0.265 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.149 -0.231 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.283 1.312 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.309 2.311 3.712 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.525 -0.743 5.952 1.00 0.00 N ATOM 1546 CA GLU A 104 -4.944 -1.926 6.577 1.00 0.00 C ATOM 1547 C GLU A 104 -5.486 -3.201 5.938 1.00 0.00 C ATOM 1548 O GLU A 104 -6.696 -3.419 5.889 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.237 -1.931 8.079 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.587 -0.781 8.830 1.00 0.00 C ATOM 1551 CD GLU A 104 -3.167 -0.512 8.370 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -2.997 0.031 7.258 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -2.227 -0.845 9.121 1.00 0.00 O ATOM 0 H GLU A 104 -5.881 -0.049 6.610 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.865 -1.894 6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.316 -1.889 8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.892 -2.873 8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.185 0.120 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.583 -1.005 9.897 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.580 -4.041 5.447 1.00 0.00 N ATOM 1561 CA VAL A 105 -4.965 -5.295 4.811 1.00 0.00 C ATOM 1562 C VAL A 105 -4.555 -6.492 5.662 1.00 0.00 C ATOM 1563 O VAL A 105 -3.435 -6.552 6.170 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.333 -5.433 3.413 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -4.792 -4.302 2.506 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -2.815 -5.462 3.516 1.00 0.00 C ATOM 0 H VAL A 105 -3.574 -3.875 5.478 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.050 -5.278 4.711 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.663 -6.375 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.335 -4.416 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.877 -4.332 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.493 -3.346 2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.385 -5.560 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.464 -4.537 3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.508 -6.310 4.129 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.470 -7.443 5.814 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.204 -8.641 6.604 1.00 0.00 C ATOM 1578 C LEU A 106 -5.045 -9.862 5.704 1.00 0.00 C ATOM 1579 O LEU A 106 -5.922 -10.169 4.896 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.335 -8.875 7.606 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.306 -10.211 8.351 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -5.112 -10.272 9.290 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.603 -10.422 9.118 1.00 0.00 C ATOM 0 H LEU A 106 -6.402 -7.408 5.401 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.271 -8.490 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.314 -8.071 8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.285 -8.798 7.076 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.207 -11.012 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.108 -11.229 9.811 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.192 -10.168 8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.179 -9.463 10.017 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.565 -11.377 9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.733 -9.617 9.841 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.441 -10.424 8.422 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.922 -10.557 5.852 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.648 -11.745 5.052 1.00 0.00 C ATOM 1597 C TYR A 107 -3.296 -12.932 5.944 1.00 0.00 C ATOM 1598 O TYR A 107 -2.902 -12.760 7.098 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.507 -11.473 4.071 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.938 -10.718 2.835 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.549 -11.375 1.773 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.734 -9.348 2.727 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.944 -10.689 0.641 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -3.128 -8.653 1.599 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.732 -9.328 0.559 1.00 0.00 C ATOM 1606 OH TYR A 107 -4.124 -8.641 -0.567 1.00 0.00 O ATOM 0 H TYR A 107 -3.187 -10.318 6.518 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.549 -11.990 4.490 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.729 -10.905 4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -2.064 -12.422 3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.718 -12.440 1.834 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.259 -8.817 3.539 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.416 -11.215 -0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.964 -7.588 1.532 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.128 -7.679 -0.379 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.440 -14.135 5.400 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.139 -15.352 6.145 1.00 0.00 C ATOM 1618 C TYR A 108 -2.307 -16.314 5.304 1.00 0.00 C ATOM 1619 O TYR A 108 -2.774 -16.837 4.291 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.433 -16.035 6.591 1.00 0.00 C ATOM 1621 CG TYR A 108 -4.908 -15.598 7.959 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.476 -14.345 8.151 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.788 -16.439 9.059 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -5.911 -13.942 9.399 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.221 -16.044 10.309 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.782 -14.795 10.475 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.213 -14.398 11.719 1.00 0.00 O ATOM 0 H TYR A 108 -3.763 -14.294 4.446 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.560 -15.074 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.215 -15.826 5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.281 -17.114 6.596 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.579 -13.675 7.311 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.349 -17.418 8.934 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.350 -12.964 9.531 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.121 -16.710 11.153 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.051 -15.116 12.366 1.00 0.00 H new ATOM 1637 N THR A 109 -1.069 -16.544 5.730 1.00 0.00 N ATOM 1638 CA THR A 109 -0.169 -17.442 5.017 1.00 0.00 C ATOM 1639 C THR A 109 -0.893 -18.710 4.578 1.00 0.00 C ATOM 1640 O THR A 109 -1.893 -19.104 5.177 1.00 0.00 O ATOM 1641 CB THR A 109 1.042 -17.831 5.887 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.596 -18.407 7.119 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.913 -16.617 6.174 1.00 0.00 C ATOM 0 H THR A 109 -0.666 -16.120 6.566 1.00 0.00 H new ATOM 0 HA THR A 109 0.183 -16.904 4.137 1.00 0.00 H new ATOM 0 HB THR A 109 1.635 -18.563 5.339 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.344 -18.446 7.752 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.762 -16.915 6.790 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.275 -16.199 5.235 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.327 -15.866 6.704 1.00 0.00 H new ATOM 1651 N SER A 110 -0.380 -19.346 3.530 1.00 0.00 N ATOM 1652 CA SER A 110 -0.979 -20.568 3.008 1.00 0.00 C ATOM 1653 C SER A 110 -1.285 -21.548 4.138 1.00 0.00 C ATOM 1654 O SER A 110 -0.767 -21.416 5.245 1.00 0.00 O ATOM 1655 CB SER A 110 -0.047 -21.224 1.988 1.00 0.00 C ATOM 1656 OG SER A 110 -0.722 -22.230 1.253 1.00 0.00 O ATOM 0 H SER A 110 0.450 -19.035 3.025 1.00 0.00 H new ATOM 0 HA SER A 110 -1.915 -20.303 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.339 -20.468 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.811 -21.658 2.501 1.00 0.00 H new ATOM 0 HG SER A 110 -0.105 -22.633 0.607 1.00 0.00 H new