USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 804 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 54 THR OG1 : rot 14:sc= -0.356! USER MOD Set 1.2: A 57 SER OG : rot -52:sc= 0.756 USER MOD Set 2.1: A 27 GLN : amide:sc= -5.83! C(o=-3!,f=-9.1!) USER MOD Set 2.2: A 101 LYS NZ :NH3+ -136:sc= 2.82 (180deg=0.148) USER MOD Single : A 17 THR OG1 : rot 38:sc= 0.829 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.2!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00713) USER MOD Single : A 33 LYS NZ :NH3+ -156:sc= -0.0105 (180deg=-0.89) USER MOD Single : A 35 TYR OH : rot 130:sc= -1.15 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 70:sc= -1.21 USER MOD Single : A 42 HIS : no HD1:sc= 0.651 K(o=0.65,f=-3.1!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -28:sc= 0.557 USER MOD Single : A 48 ASN :FLIP amide:sc= -2.89! C(o=-3.5!,f=-2.9!) USER MOD Single : A 50 GLN : amide:sc= -2.72! C(o=-2.7!,f=-12!) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc=-0.00745 X(o=-0.0074,f=-0.33) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.938 F(o=-1.9!,f=-0.94) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= -1.61 USER MOD Single : A 71 SER OG : rot -40:sc= 1.05 USER MOD Single : A 72 MET CE :methyl -137:sc= -8.65! (180deg=-13.3!) USER MOD Single : A 75 ASN : amide:sc= -0.0681 X(o=-0.068,f=0) USER MOD Single : A 76 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -175:sc= -3.05 USER MOD Single : A 86 SER OG : rot 61:sc= 1.08 USER MOD Single : A 87 SER OG : rot 180:sc= -0.359 USER MOD Single : A 88 LYS NZ :NH3+ -133:sc= -1.4 (180deg=-3.61!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -16:sc= 0.199 USER MOD Single : A 99 CYS SG : rot 180:sc= -0.819 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.257 K(o=-0.26,f=-2.4!) USER MOD Single : A 106 THR OG1 : rot 72:sc= 0.785 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N THR A 17 -8.091 -6.513 9.770 1.00 0.00 N ATOM 198 CA THR A 17 -7.835 -5.678 8.609 1.00 0.00 C ATOM 199 C THR A 17 -7.692 -6.540 7.353 1.00 0.00 C ATOM 200 O THR A 17 -7.205 -7.668 7.422 1.00 0.00 O ATOM 201 CB THR A 17 -6.599 -4.825 8.904 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.540 -4.780 10.327 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.785 -3.363 8.492 1.00 0.00 C ATOM 0 HA THR A 17 -8.672 -5.008 8.412 1.00 0.00 H new ATOM 0 HB THR A 17 -5.737 -5.242 8.383 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.808 -5.649 10.693 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.879 -2.802 8.723 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.982 -3.309 7.421 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.626 -2.935 9.038 1.00 0.00 H new ATOM 211 N VAL A 18 -8.126 -5.977 6.235 1.00 0.00 N ATOM 212 CA VAL A 18 -8.054 -6.680 4.966 1.00 0.00 C ATOM 213 C VAL A 18 -6.614 -6.643 4.449 1.00 0.00 C ATOM 214 O VAL A 18 -5.862 -5.720 4.761 1.00 0.00 O ATOM 215 CB VAL A 18 -9.059 -6.083 3.978 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.782 -6.568 2.554 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.495 -6.403 4.397 1.00 0.00 C ATOM 0 H VAL A 18 -8.529 -5.041 6.182 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.328 -7.727 5.094 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.940 -5.000 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.510 -6.129 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.778 -6.267 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.860 -7.655 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.189 -5.967 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.633 -7.484 4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.687 -5.986 5.386 1.00 0.00 H new ATOM 227 N LYS A 19 -6.273 -7.657 3.668 1.00 0.00 N ATOM 228 CA LYS A 19 -4.937 -7.752 3.105 1.00 0.00 C ATOM 229 C LYS A 19 -4.983 -7.367 1.624 1.00 0.00 C ATOM 230 O LYS A 19 -5.658 -8.021 0.830 1.00 0.00 O ATOM 231 CB LYS A 19 -4.345 -9.139 3.361 1.00 0.00 C ATOM 232 CG LYS A 19 -3.429 -9.566 2.212 1.00 0.00 C ATOM 233 CD LYS A 19 -2.672 -10.849 2.561 1.00 0.00 C ATOM 234 CE LYS A 19 -1.170 -10.583 2.683 1.00 0.00 C ATOM 235 NZ LYS A 19 -0.513 -11.668 3.445 1.00 0.00 N ATOM 0 H LYS A 19 -6.899 -8.420 3.412 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.266 -7.048 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.783 -9.132 4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.149 -9.865 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.020 -9.723 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.719 -8.769 1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.050 -11.255 3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.851 -11.601 1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.726 -10.507 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.003 -9.628 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.506 -11.473 3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.925 -11.722 4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.657 -12.573 2.954 1.00 0.00 H new ATOM 249 N ILE A 20 -4.257 -6.309 1.298 1.00 0.00 N ATOM 250 CA ILE A 20 -4.207 -5.829 -0.073 1.00 0.00 C ATOM 251 C ILE A 20 -3.286 -6.736 -0.892 1.00 0.00 C ATOM 252 O ILE A 20 -2.078 -6.509 -0.952 1.00 0.00 O ATOM 253 CB ILE A 20 -3.807 -4.353 -0.110 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.651 -3.532 0.868 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.882 -3.800 -1.535 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.256 -2.055 0.827 1.00 0.00 C ATOM 0 H ILE A 20 -3.698 -5.770 1.959 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.195 -5.879 -0.531 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.769 -4.272 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.707 -3.637 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.522 -3.919 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.593 -2.749 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.205 -4.361 -2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.901 -3.895 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.871 -1.494 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.206 -1.952 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.409 -1.665 -0.179 1.00 0.00 H new ATOM 268 N SER A 21 -3.891 -7.743 -1.503 1.00 0.00 N ATOM 269 CA SER A 21 -3.141 -8.685 -2.317 1.00 0.00 C ATOM 270 C SER A 21 -2.865 -8.082 -3.696 1.00 0.00 C ATOM 271 O SER A 21 -1.721 -8.050 -4.146 1.00 0.00 O ATOM 272 CB SER A 21 -3.891 -10.011 -2.457 1.00 0.00 C ATOM 273 OG SER A 21 -3.283 -11.052 -1.697 1.00 0.00 O ATOM 0 H SER A 21 -4.893 -7.928 -1.451 1.00 0.00 H new ATOM 0 HA SER A 21 -2.192 -8.887 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.923 -9.880 -2.131 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.923 -10.300 -3.507 1.00 0.00 H new ATOM 0 HG SER A 21 -3.793 -11.881 -1.812 1.00 0.00 H new ATOM 279 N ASN A 22 -3.934 -7.619 -4.328 1.00 0.00 N ATOM 280 CA ASN A 22 -3.821 -7.019 -5.646 1.00 0.00 C ATOM 281 C ASN A 22 -3.558 -5.519 -5.498 1.00 0.00 C ATOM 282 O ASN A 22 -4.369 -4.797 -4.921 1.00 0.00 O ATOM 283 CB ASN A 22 -5.115 -7.196 -6.444 1.00 0.00 C ATOM 284 CG ASN A 22 -4.855 -7.951 -7.749 1.00 0.00 C ATOM 285 OD1 ASN A 22 -3.963 -8.777 -7.852 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.682 -7.622 -8.738 1.00 0.00 N ATOM 0 H ASN A 22 -4.882 -7.647 -3.952 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.003 -7.511 -6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.845 -7.740 -5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.547 -6.220 -6.664 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.590 -8.070 -9.650 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.408 -6.922 -8.584 1.00 0.00 H new ATOM 293 N TYR A 23 -2.421 -5.095 -6.030 1.00 0.00 N ATOM 294 CA TYR A 23 -2.041 -3.694 -5.964 1.00 0.00 C ATOM 295 C TYR A 23 -1.187 -3.301 -7.171 1.00 0.00 C ATOM 296 O TYR A 23 -0.283 -4.037 -7.564 1.00 0.00 O ATOM 297 CB TYR A 23 -1.204 -3.543 -4.692 1.00 0.00 C ATOM 298 CG TYR A 23 0.021 -4.458 -4.641 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.149 -4.142 -5.372 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.001 -5.598 -3.864 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.302 -5.003 -5.324 1.00 0.00 C ATOM 302 CE2 TYR A 23 1.152 -6.459 -3.816 1.00 0.00 C ATOM 303 CZ TYR A 23 2.247 -6.119 -4.548 1.00 0.00 C ATOM 304 OH TYR A 23 3.336 -6.932 -4.503 1.00 0.00 O ATOM 0 H TYR A 23 -1.751 -5.697 -6.509 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.925 -3.056 -5.961 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.875 -2.507 -4.607 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.835 -3.749 -3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.166 -3.249 -5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.883 -5.844 -3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.191 -4.768 -5.891 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.148 -7.355 -3.212 1.00 0.00 H new ATOM 0 HH TYR A 23 3.154 -7.690 -3.908 1.00 0.00 H new ATOM 314 N GLY A 24 -1.503 -2.140 -7.727 1.00 0.00 N ATOM 315 CA GLY A 24 -0.776 -1.640 -8.881 1.00 0.00 C ATOM 316 C GLY A 24 0.424 -0.795 -8.449 1.00 0.00 C ATOM 317 O GLY A 24 0.289 0.103 -7.619 1.00 0.00 O ATOM 0 H GLY A 24 -2.253 -1.531 -7.399 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.435 -2.477 -9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.441 -1.042 -9.503 1.00 0.00 H new ATOM 321 N TRP A 25 1.570 -1.111 -9.033 1.00 0.00 N ATOM 322 CA TRP A 25 2.793 -0.392 -8.719 1.00 0.00 C ATOM 323 C TRP A 25 3.483 -0.035 -10.037 1.00 0.00 C ATOM 324 O TRP A 25 3.283 -0.706 -11.048 1.00 0.00 O ATOM 325 CB TRP A 25 3.684 -1.208 -7.780 1.00 0.00 C ATOM 326 CG TRP A 25 4.389 -2.385 -8.457 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.872 -3.575 -8.792 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.770 -2.436 -8.872 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.815 -4.386 -9.389 1.00 0.00 N ATOM 330 CE2 TRP A 25 6.006 -3.671 -9.440 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.787 -1.470 -8.772 1.00 0.00 C ATOM 332 CZ2 TRP A 25 7.252 -4.055 -9.951 1.00 0.00 C ATOM 333 CZ3 TRP A 25 8.026 -1.868 -9.287 1.00 0.00 C ATOM 334 CH2 TRP A 25 8.280 -3.108 -9.861 1.00 0.00 C ATOM 0 H TRP A 25 1.678 -1.855 -9.722 1.00 0.00 H new ATOM 0 HA TRP A 25 2.571 0.530 -8.181 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.436 -0.549 -7.345 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.077 -1.586 -6.957 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.846 -3.863 -8.617 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.666 -5.336 -9.730 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.625 -0.497 -8.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.412 -5.028 -10.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.842 -1.162 -9.235 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.266 -3.340 -10.236 1.00 0.00 H new ATOM 345 N ASP A 26 4.282 1.021 -9.982 1.00 0.00 N ATOM 346 CA ASP A 26 5.003 1.475 -11.159 1.00 0.00 C ATOM 347 C ASP A 26 6.048 2.512 -10.743 1.00 0.00 C ATOM 348 O ASP A 26 5.739 3.450 -10.010 1.00 0.00 O ATOM 349 CB ASP A 26 4.056 2.135 -12.165 1.00 0.00 C ATOM 350 CG ASP A 26 2.588 1.723 -12.037 1.00 0.00 C ATOM 351 OD1 ASP A 26 2.035 1.928 -10.935 1.00 0.00 O ATOM 352 OD2 ASP A 26 2.052 1.213 -13.044 1.00 0.00 O ATOM 0 H ASP A 26 4.446 1.575 -9.141 1.00 0.00 H new ATOM 0 HA ASP A 26 5.473 0.607 -11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.125 3.217 -12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.398 1.898 -13.173 1.00 0.00 H new ATOM 357 N GLN A 27 7.263 2.309 -11.230 1.00 0.00 N ATOM 358 CA GLN A 27 8.356 3.215 -10.918 1.00 0.00 C ATOM 359 C GLN A 27 9.177 3.508 -12.174 1.00 0.00 C ATOM 360 O GLN A 27 9.053 2.810 -13.179 1.00 0.00 O ATOM 361 CB GLN A 27 9.239 2.646 -9.806 1.00 0.00 C ATOM 362 CG GLN A 27 9.667 1.212 -10.125 1.00 0.00 C ATOM 363 CD GLN A 27 10.487 1.160 -11.416 1.00 0.00 C ATOM 364 OE1 GLN A 27 11.317 2.011 -11.690 1.00 0.00 O ATOM 365 NE2 GLN A 27 10.210 0.115 -12.191 1.00 0.00 N ATOM 0 H GLN A 27 7.515 1.530 -11.839 1.00 0.00 H new ATOM 0 HA GLN A 27 7.933 4.153 -10.557 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.122 3.273 -9.681 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.697 2.666 -8.860 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.256 0.812 -9.299 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.785 0.579 -10.224 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.503 -0.561 -11.902 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.705 -0.010 -13.074 1.00 0.00 H new ATOM 374 N SER A 28 9.999 4.543 -12.077 1.00 0.00 N ATOM 375 CA SER A 28 10.841 4.938 -13.194 1.00 0.00 C ATOM 376 C SER A 28 12.224 5.351 -12.686 1.00 0.00 C ATOM 377 O SER A 28 12.433 5.481 -11.481 1.00 0.00 O ATOM 378 CB SER A 28 10.204 6.081 -13.987 1.00 0.00 C ATOM 379 OG SER A 28 9.819 5.672 -15.296 1.00 0.00 O ATOM 0 H SER A 28 10.100 5.120 -11.242 1.00 0.00 H new ATOM 0 HA SER A 28 10.946 4.083 -13.862 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.330 6.451 -13.451 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.909 6.910 -14.059 1.00 0.00 H new ATOM 0 HG SER A 28 9.415 6.429 -15.770 1.00 0.00 H new ATOM 385 N ASP A 29 13.132 5.545 -13.631 1.00 0.00 N ATOM 386 CA ASP A 29 14.489 5.941 -13.294 1.00 0.00 C ATOM 387 C ASP A 29 14.469 7.336 -12.667 1.00 0.00 C ATOM 388 O ASP A 29 14.710 8.331 -13.349 1.00 0.00 O ATOM 389 CB ASP A 29 15.372 5.996 -14.542 1.00 0.00 C ATOM 390 CG ASP A 29 15.580 4.655 -15.248 1.00 0.00 C ATOM 391 OD1 ASP A 29 14.901 3.688 -14.840 1.00 0.00 O ATOM 392 OD2 ASP A 29 16.414 4.626 -16.178 1.00 0.00 O ATOM 0 H ASP A 29 12.955 5.435 -14.630 1.00 0.00 H new ATOM 0 HA ASP A 29 14.892 5.205 -12.599 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.931 6.697 -15.250 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.346 6.397 -14.262 1.00 0.00 H new ATOM 397 N LYS A 30 14.178 7.364 -11.374 1.00 0.00 N ATOM 398 CA LYS A 30 14.123 8.621 -10.647 1.00 0.00 C ATOM 399 C LYS A 30 13.526 8.377 -9.260 1.00 0.00 C ATOM 400 O LYS A 30 14.152 8.689 -8.248 1.00 0.00 O ATOM 401 CB LYS A 30 13.374 9.678 -11.461 1.00 0.00 C ATOM 402 CG LYS A 30 14.350 10.631 -12.154 1.00 0.00 C ATOM 403 CD LYS A 30 14.223 12.049 -11.594 1.00 0.00 C ATOM 404 CE LYS A 30 14.599 13.091 -12.650 1.00 0.00 C ATOM 405 NZ LYS A 30 16.042 13.010 -12.966 1.00 0.00 N ATOM 0 H LYS A 30 13.978 6.537 -10.812 1.00 0.00 H new ATOM 0 HA LYS A 30 15.127 9.019 -10.497 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.746 9.190 -12.206 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.711 10.244 -10.806 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.371 10.273 -12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.155 10.641 -13.226 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.201 12.220 -11.257 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.869 12.159 -10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.013 12.929 -13.555 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.355 14.090 -12.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.294 13.767 -13.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.595 13.120 -12.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.252 12.086 -13.395 1.00 0.00 H new ATOM 419 N PHE A 31 12.324 7.821 -9.257 1.00 0.00 N ATOM 420 CA PHE A 31 11.636 7.531 -8.010 1.00 0.00 C ATOM 421 C PHE A 31 10.701 6.331 -8.166 1.00 0.00 C ATOM 422 O PHE A 31 10.465 5.863 -9.279 1.00 0.00 O ATOM 423 CB PHE A 31 10.806 8.768 -7.659 1.00 0.00 C ATOM 424 CG PHE A 31 11.631 10.045 -7.494 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.589 10.116 -6.531 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.407 11.110 -8.310 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.355 11.302 -6.378 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.173 12.296 -8.156 1.00 0.00 C ATOM 429 CZ PHE A 31 13.131 12.367 -7.194 1.00 0.00 C ATOM 0 H PHE A 31 11.808 7.563 -10.098 1.00 0.00 H new ATOM 0 HA PHE A 31 12.361 7.293 -7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.062 8.927 -8.439 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.262 8.577 -6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.767 9.271 -5.883 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.647 11.054 -9.075 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.116 11.358 -5.613 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.994 13.142 -8.803 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.714 13.269 -7.078 1.00 0.00 H new ATOM 439 N VAL A 32 10.193 5.866 -7.034 1.00 0.00 N ATOM 440 CA VAL A 32 9.289 4.729 -7.030 1.00 0.00 C ATOM 441 C VAL A 32 7.948 5.150 -6.426 1.00 0.00 C ATOM 442 O VAL A 32 7.911 5.868 -5.428 1.00 0.00 O ATOM 443 CB VAL A 32 9.932 3.551 -6.295 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.899 2.462 -5.995 1.00 0.00 C ATOM 445 CG2 VAL A 32 11.110 2.985 -7.091 1.00 0.00 C ATOM 0 H VAL A 32 10.391 6.257 -6.113 1.00 0.00 H new ATOM 0 HA VAL A 32 9.095 4.393 -8.049 1.00 0.00 H new ATOM 0 HB VAL A 32 10.317 3.919 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.382 1.636 -5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.107 2.874 -5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.471 2.099 -6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.549 2.149 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.760 2.640 -8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.862 3.762 -7.230 1.00 0.00 H new ATOM 455 N LYS A 33 6.879 4.686 -7.057 1.00 0.00 N ATOM 456 CA LYS A 33 5.539 5.007 -6.594 1.00 0.00 C ATOM 457 C LYS A 33 4.614 3.818 -6.861 1.00 0.00 C ATOM 458 O LYS A 33 4.810 3.078 -7.824 1.00 0.00 O ATOM 459 CB LYS A 33 5.055 6.315 -7.220 1.00 0.00 C ATOM 460 CG LYS A 33 3.542 6.477 -7.053 1.00 0.00 C ATOM 461 CD LYS A 33 3.126 7.940 -7.212 1.00 0.00 C ATOM 462 CE LYS A 33 3.579 8.496 -8.563 1.00 0.00 C ATOM 463 NZ LYS A 33 3.663 9.973 -8.515 1.00 0.00 N ATOM 0 H LYS A 33 6.913 4.091 -7.885 1.00 0.00 H new ATOM 0 HA LYS A 33 5.538 5.177 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.568 7.157 -6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.311 6.332 -8.279 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.024 5.866 -7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.240 6.114 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.043 8.025 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.558 8.534 -6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.551 8.079 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.879 8.191 -9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.566 10.358 -9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.899 10.345 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.582 10.256 -8.120 1.00 0.00 H new ATOM 477 N ILE A 34 3.626 3.670 -5.991 1.00 0.00 N ATOM 478 CA ILE A 34 2.670 2.584 -6.120 1.00 0.00 C ATOM 479 C ILE A 34 1.252 3.158 -6.143 1.00 0.00 C ATOM 480 O ILE A 34 0.997 4.215 -5.568 1.00 0.00 O ATOM 481 CB ILE A 34 2.894 1.540 -5.024 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.274 0.893 -5.156 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.771 0.500 -5.020 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.239 1.440 -4.102 1.00 0.00 C ATOM 0 H ILE A 34 3.467 4.285 -5.193 1.00 0.00 H new ATOM 0 HA ILE A 34 2.816 2.058 -7.063 1.00 0.00 H new ATOM 0 HB ILE A 34 2.868 2.047 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.185 -0.188 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.674 1.081 -6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.954 -0.230 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.817 0.996 -4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.741 -0.007 -5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.213 0.964 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.345 2.517 -4.230 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.848 1.229 -3.107 1.00 0.00 H new ATOM 496 N TYR A 35 0.367 2.435 -6.814 1.00 0.00 N ATOM 497 CA TYR A 35 -1.019 2.860 -6.919 1.00 0.00 C ATOM 498 C TYR A 35 -1.972 1.699 -6.624 1.00 0.00 C ATOM 499 O TYR A 35 -2.108 0.782 -7.432 1.00 0.00 O ATOM 500 CB TYR A 35 -1.214 3.307 -8.369 1.00 0.00 C ATOM 501 CG TYR A 35 -0.042 4.112 -8.934 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.179 3.503 -9.138 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.207 5.448 -9.241 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.282 4.261 -9.670 1.00 0.00 C ATOM 505 CE2 TYR A 35 0.896 6.206 -9.773 1.00 0.00 C ATOM 506 CZ TYR A 35 2.086 5.575 -9.961 1.00 0.00 C ATOM 507 OH TYR A 35 3.128 6.291 -10.464 1.00 0.00 O ATOM 0 H TYR A 35 0.582 1.559 -7.290 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.232 3.655 -6.204 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.371 2.426 -8.992 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.120 3.909 -8.434 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.308 2.458 -8.899 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.163 5.925 -9.082 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.243 3.796 -9.834 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.781 7.252 -10.017 1.00 0.00 H new ATOM 0 HH TYR A 35 2.838 6.771 -11.268 1.00 0.00 H new ATOM 517 N ILE A 36 -2.606 1.777 -5.463 1.00 0.00 N ATOM 518 CA ILE A 36 -3.541 0.744 -5.051 1.00 0.00 C ATOM 519 C ILE A 36 -4.971 1.268 -5.203 1.00 0.00 C ATOM 520 O ILE A 36 -5.228 2.452 -4.992 1.00 0.00 O ATOM 521 CB ILE A 36 -3.212 0.256 -3.639 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.850 -0.440 -3.603 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.327 -0.640 -3.095 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.831 0.392 -2.822 1.00 0.00 C ATOM 0 H ILE A 36 -2.491 2.539 -4.795 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.451 -0.131 -5.695 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.148 1.125 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.952 -1.423 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.492 -0.600 -4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.068 -0.973 -2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.261 -0.079 -3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.447 -1.507 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.129 -0.125 -2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.714 1.365 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.181 0.529 -1.799 1.00 0.00 H new ATOM 536 N THR A 37 -5.864 0.360 -5.567 1.00 0.00 N ATOM 537 CA THR A 37 -7.261 0.715 -5.750 1.00 0.00 C ATOM 538 C THR A 37 -8.046 0.475 -4.459 1.00 0.00 C ATOM 539 O THR A 37 -8.398 -0.661 -4.144 1.00 0.00 O ATOM 540 CB THR A 37 -7.798 -0.077 -6.944 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.282 0.612 -8.079 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.316 0.045 -7.092 1.00 0.00 C ATOM 0 H THR A 37 -5.647 -0.622 -5.740 1.00 0.00 H new ATOM 0 HA THR A 37 -7.374 1.777 -5.969 1.00 0.00 H new ATOM 0 HB THR A 37 -7.527 -1.127 -6.834 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.581 0.164 -8.898 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.645 -0.535 -7.954 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.801 -0.334 -6.192 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.585 1.092 -7.235 1.00 0.00 H new ATOM 550 N LEU A 38 -8.296 1.563 -3.745 1.00 0.00 N ATOM 551 CA LEU A 38 -9.033 1.485 -2.495 1.00 0.00 C ATOM 552 C LEU A 38 -10.110 2.571 -2.474 1.00 0.00 C ATOM 553 O LEU A 38 -9.805 3.749 -2.298 1.00 0.00 O ATOM 554 CB LEU A 38 -8.075 1.546 -1.304 1.00 0.00 C ATOM 555 CG LEU A 38 -8.311 0.515 -0.199 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.807 0.288 0.028 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.573 -0.791 -0.500 1.00 0.00 C ATOM 0 H LEU A 38 -8.001 2.503 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.545 0.526 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.057 1.425 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.137 2.541 -0.864 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.900 0.910 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.947 -0.449 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.277 1.227 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.264 -0.076 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.758 -1.506 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.932 -1.202 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.503 -0.596 -0.573 1.00 0.00 H new ATOM 569 N THR A 39 -11.348 2.135 -2.657 1.00 0.00 N ATOM 570 CA THR A 39 -12.472 3.055 -2.661 1.00 0.00 C ATOM 571 C THR A 39 -12.864 3.425 -1.229 1.00 0.00 C ATOM 572 O THR A 39 -13.372 2.588 -0.485 1.00 0.00 O ATOM 573 CB THR A 39 -13.610 2.409 -3.455 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.287 2.688 -4.814 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.950 3.114 -3.237 1.00 0.00 C ATOM 0 H THR A 39 -11.597 1.157 -2.804 1.00 0.00 H new ATOM 0 HA THR A 39 -12.211 3.995 -3.146 1.00 0.00 H new ATOM 0 HB THR A 39 -13.702 1.361 -3.170 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.500 2.166 -5.077 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.723 2.616 -3.823 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.214 3.075 -2.180 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.869 4.154 -3.552 1.00 0.00 H new ATOM 583 N GLY A 40 -12.613 4.680 -0.887 1.00 0.00 N ATOM 584 CA GLY A 40 -12.933 5.171 0.443 1.00 0.00 C ATOM 585 C GLY A 40 -11.683 5.703 1.147 1.00 0.00 C ATOM 586 O GLY A 40 -11.778 6.558 2.026 1.00 0.00 O ATOM 0 H GLY A 40 -12.192 5.372 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.679 5.962 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.374 4.369 1.034 1.00 0.00 H new ATOM 590 N VAL A 41 -10.540 5.176 0.733 1.00 0.00 N ATOM 591 CA VAL A 41 -9.273 5.587 1.312 1.00 0.00 C ATOM 592 C VAL A 41 -9.115 7.101 1.162 1.00 0.00 C ATOM 593 O VAL A 41 -8.339 7.723 1.885 1.00 0.00 O ATOM 594 CB VAL A 41 -8.126 4.800 0.674 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.919 5.218 -0.783 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.835 4.962 1.480 1.00 0.00 C ATOM 0 H VAL A 41 -10.465 4.468 0.003 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.250 5.362 2.378 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.397 3.744 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.098 4.644 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.831 5.028 -1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.680 6.281 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.036 4.393 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.558 6.016 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.990 4.593 2.494 1.00 0.00 H new ATOM 606 N HIS A 42 -9.865 7.651 0.217 1.00 0.00 N ATOM 607 CA HIS A 42 -9.818 9.081 -0.037 1.00 0.00 C ATOM 608 C HIS A 42 -10.863 9.790 0.827 1.00 0.00 C ATOM 609 O HIS A 42 -10.976 11.015 0.790 1.00 0.00 O ATOM 610 CB HIS A 42 -9.986 9.373 -1.530 1.00 0.00 C ATOM 611 CG HIS A 42 -11.407 9.248 -2.024 1.00 0.00 C ATOM 612 ND1 HIS A 42 -12.008 8.027 -2.280 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.340 10.202 -2.306 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.245 8.249 -2.697 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.449 9.598 -2.713 1.00 0.00 N ATOM 0 H HIS A 42 -10.508 7.132 -0.381 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.840 9.472 0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.628 10.382 -1.735 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.354 8.690 -2.097 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.200 11.269 -2.214 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.966 7.495 -2.976 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.312 10.065 -2.992 1.00 0.00 H new ATOM 623 N GLN A 43 -11.600 8.991 1.584 1.00 0.00 N ATOM 624 CA GLN A 43 -12.632 9.527 2.455 1.00 0.00 C ATOM 625 C GLN A 43 -12.187 9.444 3.917 1.00 0.00 C ATOM 626 O GLN A 43 -12.689 10.181 4.765 1.00 0.00 O ATOM 627 CB GLN A 43 -13.960 8.798 2.244 1.00 0.00 C ATOM 628 CG GLN A 43 -14.528 9.085 0.853 1.00 0.00 C ATOM 629 CD GLN A 43 -16.058 9.065 0.870 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.718 10.091 0.854 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.582 7.843 0.903 1.00 0.00 N ATOM 0 H GLN A 43 -11.503 7.976 1.612 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.787 10.576 2.201 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.813 7.725 2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.675 9.111 3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.177 10.057 0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.159 8.343 0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.971 7.026 0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.595 7.723 0.916 1.00 0.00 H new ATOM 640 N VAL A 44 -11.250 8.541 4.167 1.00 0.00 N ATOM 641 CA VAL A 44 -10.732 8.353 5.512 1.00 0.00 C ATOM 642 C VAL A 44 -9.653 9.401 5.789 1.00 0.00 C ATOM 643 O VAL A 44 -8.989 9.873 4.868 1.00 0.00 O ATOM 644 CB VAL A 44 -10.230 6.918 5.683 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.348 5.910 5.409 1.00 0.00 C ATOM 646 CG2 VAL A 44 -9.019 6.651 4.787 1.00 0.00 C ATOM 0 H VAL A 44 -10.836 7.932 3.461 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.522 8.497 6.249 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.914 6.794 6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.965 4.898 5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.169 6.078 6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.708 6.035 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.682 5.624 4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.298 6.802 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.214 7.337 5.050 1.00 0.00 H new ATOM 656 N PRO A 45 -9.508 9.744 7.097 1.00 0.00 N ATOM 657 CA PRO A 45 -8.520 10.728 7.508 1.00 0.00 C ATOM 658 C PRO A 45 -7.109 10.138 7.470 1.00 0.00 C ATOM 659 O PRO A 45 -6.942 8.932 7.295 1.00 0.00 O ATOM 660 CB PRO A 45 -8.948 11.156 8.902 1.00 0.00 C ATOM 661 CG PRO A 45 -9.882 10.067 9.405 1.00 0.00 C ATOM 662 CD PRO A 45 -10.277 9.207 8.216 1.00 0.00 C ATOM 0 HA PRO A 45 -8.477 11.586 6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.085 11.265 9.559 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.453 12.122 8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.389 9.463 10.166 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.765 10.506 9.869 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.041 8.157 8.391 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.348 9.265 8.024 1.00 0.00 H new ATOM 670 N THR A 46 -6.131 11.015 7.639 1.00 0.00 N ATOM 671 CA THR A 46 -4.740 10.595 7.626 1.00 0.00 C ATOM 672 C THR A 46 -4.396 9.850 8.918 1.00 0.00 C ATOM 673 O THR A 46 -3.279 9.359 9.077 1.00 0.00 O ATOM 674 CB THR A 46 -3.874 11.835 7.391 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.551 11.318 7.280 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.816 12.749 8.616 1.00 0.00 C ATOM 0 H THR A 46 -6.274 12.014 7.786 1.00 0.00 H new ATOM 0 HA THR A 46 -4.548 9.888 6.819 1.00 0.00 H new ATOM 0 HB THR A 46 -4.263 12.394 6.540 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.481 10.486 7.793 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.189 13.613 8.396 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.822 13.085 8.867 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.395 12.201 9.459 1.00 0.00 H new ATOM 684 N GLU A 47 -5.376 9.789 9.807 1.00 0.00 N ATOM 685 CA GLU A 47 -5.191 9.113 11.079 1.00 0.00 C ATOM 686 C GLU A 47 -5.431 7.610 10.921 1.00 0.00 C ATOM 687 O GLU A 47 -4.927 6.811 11.708 1.00 0.00 O ATOM 688 CB GLU A 47 -6.107 9.704 12.153 1.00 0.00 C ATOM 689 CG GLU A 47 -7.571 9.357 11.877 1.00 0.00 C ATOM 690 CD GLU A 47 -8.264 8.855 13.145 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.709 7.922 13.764 1.00 0.00 O ATOM 692 OE2 GLU A 47 -9.334 9.417 13.467 1.00 0.00 O ATOM 0 H GLU A 47 -6.301 10.197 9.671 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.161 9.265 11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.818 9.323 13.132 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.986 10.787 12.184 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.092 10.236 11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.627 8.594 11.101 1.00 0.00 H new ATOM 699 N ASN A 48 -6.201 7.270 9.898 1.00 0.00 N ATOM 700 CA ASN A 48 -6.514 5.878 9.626 1.00 0.00 C ATOM 701 C ASN A 48 -5.514 5.324 8.610 1.00 0.00 C ATOM 702 O ASN A 48 -5.512 4.127 8.324 1.00 0.00 O ATOM 703 CB ASN A 48 -7.918 5.734 9.035 1.00 0.00 C ATOM 704 CG ASN A 48 -8.989 5.952 10.105 1.00 0.00 C ATOM 705 OD1 ASN A 48 -10.198 6.209 9.616 1.00 0.00 O flip ATOM 706 ND2 ASN A 48 -8.734 5.890 11.297 1.00 0.00 N flip ATOM 0 H ASN A 48 -6.618 7.936 9.247 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.461 5.331 10.567 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.053 6.455 8.229 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.032 4.742 8.598 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.783 5.688 11.605 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.472 6.040 11.985 1.00 0.00 H new ATOM 713 N VAL A 49 -4.687 6.220 8.092 1.00 0.00 N ATOM 714 CA VAL A 49 -3.684 5.836 7.114 1.00 0.00 C ATOM 715 C VAL A 49 -2.291 5.993 7.728 1.00 0.00 C ATOM 716 O VAL A 49 -1.797 7.110 7.877 1.00 0.00 O ATOM 717 CB VAL A 49 -3.866 6.648 5.830 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.904 6.174 4.740 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.316 6.590 5.346 1.00 0.00 C ATOM 0 H VAL A 49 -4.691 7.211 8.332 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.802 4.788 6.839 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.629 7.688 6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.055 6.768 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.877 6.292 5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.094 5.124 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.418 7.175 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.592 5.555 5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.973 6.999 6.114 1.00 0.00 H new ATOM 729 N GLN A 50 -1.698 4.859 8.069 1.00 0.00 N ATOM 730 CA GLN A 50 -0.372 4.857 8.665 1.00 0.00 C ATOM 731 C GLN A 50 0.607 4.085 7.777 1.00 0.00 C ATOM 732 O GLN A 50 0.563 2.857 7.721 1.00 0.00 O ATOM 733 CB GLN A 50 -0.407 4.274 10.079 1.00 0.00 C ATOM 734 CG GLN A 50 0.959 3.710 10.473 1.00 0.00 C ATOM 735 CD GLN A 50 2.031 4.802 10.445 1.00 0.00 C ATOM 736 OE1 GLN A 50 2.453 5.267 9.398 1.00 0.00 O ATOM 737 NE2 GLN A 50 2.447 5.184 11.649 1.00 0.00 N ATOM 0 H GLN A 50 -2.111 3.935 7.944 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.027 5.888 8.742 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.703 5.047 10.788 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.159 3.487 10.133 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.903 3.276 11.471 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.235 2.906 9.791 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.052 4.754 12.485 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.161 5.907 11.736 1.00 0.00 H new ATOM 746 N VAL A 51 1.467 4.837 7.107 1.00 0.00 N ATOM 747 CA VAL A 51 2.455 4.240 6.225 1.00 0.00 C ATOM 748 C VAL A 51 3.854 4.682 6.659 1.00 0.00 C ATOM 749 O VAL A 51 4.094 5.868 6.875 1.00 0.00 O ATOM 750 CB VAL A 51 2.141 4.594 4.770 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.528 5.992 4.667 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.390 4.478 3.895 1.00 0.00 C ATOM 0 H VAL A 51 1.500 5.855 7.157 1.00 0.00 H new ATOM 0 HA VAL A 51 2.421 3.153 6.295 1.00 0.00 H new ATOM 0 HB VAL A 51 1.407 3.877 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.314 6.219 3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.603 6.027 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.229 6.727 5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.139 4.735 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.156 5.160 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.766 3.456 3.932 1.00 0.00 H new ATOM 762 N HIS A 52 4.739 3.703 6.776 1.00 0.00 N ATOM 763 CA HIS A 52 6.107 3.976 7.181 1.00 0.00 C ATOM 764 C HIS A 52 7.070 3.507 6.088 1.00 0.00 C ATOM 765 O HIS A 52 6.920 2.409 5.553 1.00 0.00 O ATOM 766 CB HIS A 52 6.407 3.348 8.543 1.00 0.00 C ATOM 767 CG HIS A 52 7.845 3.488 8.982 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.588 2.426 9.466 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.668 4.575 9.003 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.802 2.865 9.764 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.849 4.198 9.476 1.00 0.00 N ATOM 0 H HIS A 52 4.535 2.720 6.597 1.00 0.00 H new ATOM 0 HA HIS A 52 6.245 5.050 7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.763 3.807 9.293 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.150 2.289 8.508 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.403 5.574 8.688 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.611 2.272 10.164 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.659 4.805 9.603 1.00 0.00 H new ATOM 779 N PHE A 53 8.036 4.363 5.787 1.00 0.00 N ATOM 780 CA PHE A 53 9.022 4.050 4.768 1.00 0.00 C ATOM 781 C PHE A 53 10.353 3.636 5.400 1.00 0.00 C ATOM 782 O PHE A 53 10.736 4.159 6.446 1.00 0.00 O ATOM 783 CB PHE A 53 9.236 5.323 3.946 1.00 0.00 C ATOM 784 CG PHE A 53 7.960 5.869 3.302 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.231 5.084 2.464 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.554 7.140 3.568 1.00 0.00 C ATOM 787 CE1 PHE A 53 6.047 5.591 1.867 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.370 7.647 2.971 1.00 0.00 C ATOM 789 CZ PHE A 53 5.642 6.862 2.133 1.00 0.00 C ATOM 0 H PHE A 53 8.156 5.273 6.232 1.00 0.00 H new ATOM 0 HA PHE A 53 8.670 3.222 4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.663 6.092 4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.967 5.120 3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.553 4.075 2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.133 7.763 4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.468 4.968 1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.048 8.656 3.182 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.742 7.248 1.678 1.00 0.00 H new ATOM 799 N THR A 54 11.020 2.702 4.739 1.00 0.00 N ATOM 800 CA THR A 54 12.299 2.212 5.224 1.00 0.00 C ATOM 801 C THR A 54 13.358 2.307 4.124 1.00 0.00 C ATOM 802 O THR A 54 13.158 2.993 3.122 1.00 0.00 O ATOM 803 CB THR A 54 12.094 0.789 5.747 1.00 0.00 C ATOM 804 OG1 THR A 54 11.379 0.135 4.702 1.00 0.00 O ATOM 805 CG2 THR A 54 11.138 0.737 6.941 1.00 0.00 C ATOM 0 H THR A 54 10.699 2.271 3.872 1.00 0.00 H new ATOM 0 HA THR A 54 12.671 2.825 6.045 1.00 0.00 H new ATOM 0 HB THR A 54 13.056 0.365 6.033 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.413 0.683 3.890 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.027 -0.295 7.274 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.540 1.339 7.756 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.165 1.130 6.645 1.00 0.00 H new ATOM 813 N GLU A 55 14.462 1.609 4.347 1.00 0.00 N ATOM 814 CA GLU A 55 15.553 1.607 3.387 1.00 0.00 C ATOM 815 C GLU A 55 15.227 0.678 2.216 1.00 0.00 C ATOM 816 O GLU A 55 15.519 0.999 1.065 1.00 0.00 O ATOM 817 CB GLU A 55 16.870 1.206 4.055 1.00 0.00 C ATOM 818 CG GLU A 55 17.158 -0.283 3.850 1.00 0.00 C ATOM 819 CD GLU A 55 18.318 -0.744 4.734 1.00 0.00 C ATOM 820 OE1 GLU A 55 18.072 -0.925 5.946 1.00 0.00 O ATOM 821 OE2 GLU A 55 19.426 -0.905 4.177 1.00 0.00 O ATOM 0 H GLU A 55 14.624 1.041 5.178 1.00 0.00 H new ATOM 0 HA GLU A 55 15.673 2.619 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.687 1.798 3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.823 1.428 5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.266 -0.865 4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.397 -0.470 2.803 1.00 0.00 H new ATOM 828 N ARG A 56 14.626 -0.454 2.550 1.00 0.00 N ATOM 829 CA ARG A 56 14.257 -1.432 1.540 1.00 0.00 C ATOM 830 C ARG A 56 12.910 -2.069 1.884 1.00 0.00 C ATOM 831 O ARG A 56 12.795 -3.292 1.949 1.00 0.00 O ATOM 832 CB ARG A 56 15.317 -2.529 1.422 1.00 0.00 C ATOM 833 CG ARG A 56 16.613 -1.978 0.825 1.00 0.00 C ATOM 834 CD ARG A 56 16.683 -2.252 -0.679 1.00 0.00 C ATOM 835 NE ARG A 56 17.079 -3.658 -0.920 1.00 0.00 N ATOM 836 CZ ARG A 56 18.342 -4.101 -0.874 1.00 0.00 C ATOM 837 NH1 ARG A 56 19.341 -3.252 -0.596 1.00 0.00 N ATOM 838 NH2 ARG A 56 18.608 -5.394 -1.105 1.00 0.00 N ATOM 0 H ARG A 56 14.385 -0.716 3.506 1.00 0.00 H new ATOM 0 HA ARG A 56 14.182 -0.910 0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.517 -2.953 2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.940 -3.338 0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.674 -0.905 1.006 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.469 -2.434 1.322 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.714 -2.055 -1.138 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.401 -1.578 -1.147 1.00 0.00 H new ATOM 0 HE ARG A 56 16.344 -4.332 -1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.140 -2.268 -0.419 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.303 -3.590 -0.561 1.00 0.00 H new ATOM 0 HH21 ARG A 56 17.848 -6.041 -1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.570 -5.731 -1.070 1.00 0.00 H new ATOM 852 N SER A 57 11.923 -1.210 2.096 1.00 0.00 N ATOM 853 CA SER A 57 10.587 -1.674 2.433 1.00 0.00 C ATOM 854 C SER A 57 9.675 -0.479 2.716 1.00 0.00 C ATOM 855 O SER A 57 10.132 0.663 2.745 1.00 0.00 O ATOM 856 CB SER A 57 10.618 -2.615 3.638 1.00 0.00 C ATOM 857 OG SER A 57 10.261 -1.949 4.846 1.00 0.00 O ATOM 0 H SER A 57 12.022 -0.196 2.041 1.00 0.00 H new ATOM 0 HA SER A 57 10.193 -2.231 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.934 -3.446 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.616 -3.040 3.740 1.00 0.00 H new ATOM 0 HG SER A 57 10.807 -1.141 4.948 1.00 0.00 H new ATOM 863 N PHE A 58 8.401 -0.783 2.918 1.00 0.00 N ATOM 864 CA PHE A 58 7.420 0.252 3.198 1.00 0.00 C ATOM 865 C PHE A 58 6.077 -0.360 3.601 1.00 0.00 C ATOM 866 O PHE A 58 5.544 -1.215 2.895 1.00 0.00 O ATOM 867 CB PHE A 58 7.235 1.054 1.908 1.00 0.00 C ATOM 868 CG PHE A 58 5.990 0.667 1.108 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.752 0.890 1.625 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.121 0.099 -0.121 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.597 0.531 0.882 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.966 -0.260 -0.864 1.00 0.00 C ATOM 873 CZ PHE A 58 3.728 -0.037 -0.347 1.00 0.00 C ATOM 0 H PHE A 58 8.026 -1.731 2.893 1.00 0.00 H new ATOM 0 HA PHE A 58 7.765 0.878 4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.180 2.114 2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.115 0.919 1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.648 1.340 2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.104 -0.079 -0.532 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.614 0.709 1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.070 -0.710 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.849 -0.311 -0.912 1.00 0.00 H new ATOM 883 N ASP A 59 5.569 0.102 4.734 1.00 0.00 N ATOM 884 CA ASP A 59 4.298 -0.390 5.239 1.00 0.00 C ATOM 885 C ASP A 59 3.226 0.684 5.042 1.00 0.00 C ATOM 886 O ASP A 59 3.530 1.876 5.038 1.00 0.00 O ATOM 887 CB ASP A 59 4.384 -0.704 6.734 1.00 0.00 C ATOM 888 CG ASP A 59 5.088 0.359 7.579 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.338 0.371 7.550 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.361 1.137 8.234 1.00 0.00 O ATOM 0 H ASP A 59 6.014 0.811 5.316 1.00 0.00 H new ATOM 0 HA ASP A 59 4.047 -1.300 4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.374 -0.842 7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.906 -1.652 6.861 1.00 0.00 H new ATOM 895 N LEU A 60 1.994 0.223 4.884 1.00 0.00 N ATOM 896 CA LEU A 60 0.876 1.130 4.687 1.00 0.00 C ATOM 897 C LEU A 60 -0.355 0.579 5.411 1.00 0.00 C ATOM 898 O LEU A 60 -0.889 -0.462 5.030 1.00 0.00 O ATOM 899 CB LEU A 60 0.649 1.385 3.196 1.00 0.00 C ATOM 900 CG LEU A 60 -0.309 2.527 2.849 1.00 0.00 C ATOM 901 CD1 LEU A 60 -1.104 2.210 1.581 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.222 2.855 4.032 1.00 0.00 C ATOM 0 H LEU A 60 1.745 -0.766 4.888 1.00 0.00 H new ATOM 0 HA LEU A 60 1.094 2.105 5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.613 1.593 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.269 0.469 2.745 1.00 0.00 H new ATOM 0 HG LEU A 60 0.283 3.419 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.777 3.038 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.417 2.065 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.685 1.301 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.893 3.670 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.809 1.974 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.616 3.155 4.887 1.00 0.00 H new ATOM 914 N LEU A 61 -0.769 1.302 6.441 1.00 0.00 N ATOM 915 CA LEU A 61 -1.926 0.898 7.221 1.00 0.00 C ATOM 916 C LEU A 61 -3.155 1.673 6.741 1.00 0.00 C ATOM 917 O LEU A 61 -3.046 2.831 6.340 1.00 0.00 O ATOM 918 CB LEU A 61 -1.646 1.056 8.717 1.00 0.00 C ATOM 919 CG LEU A 61 -2.703 0.482 9.662 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.914 1.412 9.760 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.101 -0.935 9.243 1.00 0.00 C ATOM 0 H LEU A 61 -0.324 2.165 6.753 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.136 -0.161 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.691 0.580 8.940 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.531 2.118 8.935 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.269 0.413 10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.650 0.980 10.438 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.597 2.383 10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.359 1.536 8.773 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.854 -1.320 9.931 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.510 -0.914 8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.224 -1.581 9.266 1.00 0.00 H new ATOM 933 N VAL A 62 -4.297 1.003 6.797 1.00 0.00 N ATOM 934 CA VAL A 62 -5.545 1.615 6.372 1.00 0.00 C ATOM 935 C VAL A 62 -6.692 1.063 7.220 1.00 0.00 C ATOM 936 O VAL A 62 -7.153 -0.055 6.995 1.00 0.00 O ATOM 937 CB VAL A 62 -5.751 1.396 4.872 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.072 2.010 4.405 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.573 1.954 4.070 1.00 0.00 C ATOM 0 H VAL A 62 -4.384 0.043 7.130 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.515 2.693 6.528 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.799 0.322 4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.194 1.840 3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.899 1.546 4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.066 3.082 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.744 1.785 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.479 3.024 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.655 1.451 4.374 1.00 0.00 H new ATOM 949 N LYS A 63 -7.121 1.872 8.177 1.00 0.00 N ATOM 950 CA LYS A 63 -8.206 1.478 9.060 1.00 0.00 C ATOM 951 C LYS A 63 -9.476 2.238 8.670 1.00 0.00 C ATOM 952 O LYS A 63 -9.417 3.204 7.911 1.00 0.00 O ATOM 953 CB LYS A 63 -7.802 1.667 10.523 1.00 0.00 C ATOM 954 CG LYS A 63 -7.594 0.317 11.213 1.00 0.00 C ATOM 955 CD LYS A 63 -6.273 0.293 11.985 1.00 0.00 C ATOM 956 CE LYS A 63 -5.652 -1.104 11.965 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.960 -1.827 13.219 1.00 0.00 N ATOM 0 H LYS A 63 -6.737 2.799 8.361 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.422 0.415 8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.884 2.253 10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.573 2.232 11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.421 0.122 11.895 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.599 -0.480 10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.579 1.010 11.547 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.444 0.604 13.016 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.033 -1.665 11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.572 -1.026 11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.531 -2.774 13.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.575 -1.298 14.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.991 -1.918 13.323 1.00 0.00 H new ATOM 971 N ASN A 64 -10.594 1.772 9.207 1.00 0.00 N ATOM 972 CA ASN A 64 -11.876 2.396 8.925 1.00 0.00 C ATOM 973 C ASN A 64 -11.921 2.817 7.455 1.00 0.00 C ATOM 974 O ASN A 64 -11.531 3.933 7.113 1.00 0.00 O ATOM 975 CB ASN A 64 -12.081 3.646 9.782 1.00 0.00 C ATOM 976 CG ASN A 64 -13.561 3.848 10.113 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.434 3.731 9.268 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.793 4.156 11.385 1.00 0.00 N ATOM 0 H ASN A 64 -10.639 0.970 9.836 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.660 1.673 9.150 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.507 3.557 10.705 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.700 4.520 9.253 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.749 4.310 11.706 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.015 4.238 12.040 1.00 0.00 H new ATOM 985 N LEU A 65 -12.399 1.903 6.624 1.00 0.00 N ATOM 986 CA LEU A 65 -12.500 2.166 5.199 1.00 0.00 C ATOM 987 C LEU A 65 -13.946 1.956 4.746 1.00 0.00 C ATOM 988 O LEU A 65 -14.867 2.554 5.301 1.00 0.00 O ATOM 989 CB LEU A 65 -11.485 1.322 4.425 1.00 0.00 C ATOM 990 CG LEU A 65 -11.221 1.747 2.979 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.813 3.130 2.698 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.728 1.686 2.653 1.00 0.00 C ATOM 0 H LEU A 65 -12.721 0.979 6.911 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.246 3.204 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.539 1.341 4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.830 0.288 4.421 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.723 1.041 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.612 3.409 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.890 3.105 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.360 3.862 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.568 1.993 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.183 2.355 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.367 0.666 2.788 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.101 1.104 3.743 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.420 0.808 3.210 1.00 0.00 C ATOM 1006 C ASN A 66 -16.089 -0.259 4.079 1.00 0.00 C ATOM 1007 O ASN A 66 -16.187 -1.418 3.679 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.328 0.265 1.783 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.096 1.158 0.806 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -15.575 2.373 0.659 1.00 0.00 O flip ATOM 1011 ND2 ASN A 66 -17.096 0.770 0.225 1.00 0.00 N flip ATOM 0 H ASN A 66 -13.335 0.609 3.286 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.998 1.732 3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.283 0.203 1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.730 -0.748 1.749 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.443 -0.176 0.383 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.585 1.391 -0.419 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.531 0.170 5.252 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.187 -0.734 6.181 1.00 0.00 C ATOM 1020 C GLY A 67 -16.226 -1.826 6.655 1.00 0.00 C ATOM 1021 O GLY A 67 -16.658 -2.871 7.138 1.00 0.00 O ATOM 0 H GLY A 67 -16.448 1.132 5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.558 -0.173 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.053 -1.190 5.700 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.940 -1.546 6.500 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.914 -2.491 6.907 1.00 0.00 C ATOM 1027 C LYS A 68 -12.559 -1.782 6.945 1.00 0.00 C ATOM 1028 O LYS A 68 -12.492 -0.559 6.833 1.00 0.00 O ATOM 1029 CB LYS A 68 -13.937 -3.727 6.004 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.474 -3.381 4.614 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.741 -4.173 3.530 1.00 0.00 C ATOM 1032 CE LYS A 68 -13.954 -5.677 3.712 1.00 0.00 C ATOM 1033 NZ LYS A 68 -15.198 -6.110 3.038 1.00 0.00 N ATOM 0 H LYS A 68 -14.585 -0.678 6.098 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.110 -2.857 7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.931 -4.137 5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.558 -4.500 6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.541 -3.597 4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.357 -2.313 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.099 -3.868 2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.676 -3.946 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.103 -6.223 3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.006 -5.917 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.327 -7.133 3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.009 -5.603 3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.134 -5.899 2.022 1.00 0.00 H new ATOM 1047 N SER A 69 -11.514 -2.580 7.103 1.00 0.00 N ATOM 1048 CA SER A 69 -10.164 -2.044 7.157 1.00 0.00 C ATOM 1049 C SER A 69 -9.264 -2.791 6.171 1.00 0.00 C ATOM 1050 O SER A 69 -9.558 -3.924 5.792 1.00 0.00 O ATOM 1051 CB SER A 69 -9.592 -2.135 8.573 1.00 0.00 C ATOM 1052 OG SER A 69 -10.518 -1.677 9.554 1.00 0.00 O ATOM 0 H SER A 69 -11.574 -3.594 7.195 1.00 0.00 H new ATOM 0 HA SER A 69 -10.202 -0.991 6.877 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.318 -3.168 8.788 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.678 -1.544 8.633 1.00 0.00 H new ATOM 0 HG SER A 69 -10.116 -1.753 10.444 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.185 -2.127 5.784 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.240 -2.715 4.850 1.00 0.00 C ATOM 1060 C TYR A 70 -5.798 -2.463 5.297 1.00 0.00 C ATOM 1061 O TYR A 70 -5.510 -1.453 5.936 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.476 -2.011 3.512 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.845 -2.298 2.891 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -9.991 -1.826 3.498 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -8.933 -3.030 1.724 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.279 -2.097 2.914 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.222 -3.300 1.140 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.331 -2.820 1.764 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.547 -3.076 1.212 1.00 0.00 O ATOM 0 H TYR A 70 -7.944 -1.188 6.100 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.384 -3.794 4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.372 -0.936 3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.699 -2.316 2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.922 -1.253 4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.036 -3.400 1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.184 -1.734 3.379 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.306 -3.871 0.227 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.430 -3.601 0.393 1.00 0.00 H new ATOM 1079 N SER A 71 -4.931 -3.400 4.943 1.00 0.00 N ATOM 1080 CA SER A 71 -3.526 -3.293 5.300 1.00 0.00 C ATOM 1081 C SER A 71 -2.652 -3.673 4.104 1.00 0.00 C ATOM 1082 O SER A 71 -2.985 -4.589 3.353 1.00 0.00 O ATOM 1083 CB SER A 71 -3.195 -4.178 6.503 1.00 0.00 C ATOM 1084 OG SER A 71 -3.567 -5.536 6.286 1.00 0.00 O ATOM 0 H SER A 71 -5.174 -4.237 4.413 1.00 0.00 H new ATOM 0 HA SER A 71 -3.321 -2.259 5.577 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.126 -4.124 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.710 -3.798 7.385 1.00 0.00 H new ATOM 0 HG SER A 71 -4.433 -5.569 5.828 1.00 0.00 H new ATOM 1090 N MET A 72 -1.550 -2.951 3.963 1.00 0.00 N ATOM 1091 CA MET A 72 -0.625 -3.201 2.871 1.00 0.00 C ATOM 1092 C MET A 72 0.815 -2.901 3.292 1.00 0.00 C ATOM 1093 O MET A 72 1.133 -1.774 3.667 1.00 0.00 O ATOM 1094 CB MET A 72 -1.001 -2.326 1.673 1.00 0.00 C ATOM 1095 CG MET A 72 0.123 -2.306 0.635 1.00 0.00 C ATOM 1096 SD MET A 72 -0.545 -1.952 -0.981 1.00 0.00 S ATOM 1097 CE MET A 72 0.057 -3.370 -1.883 1.00 0.00 C ATOM 0 H MET A 72 -1.277 -2.192 4.588 1.00 0.00 H new ATOM 0 HA MET A 72 -0.691 -4.254 2.598 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.916 -2.702 1.216 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.208 -1.310 2.010 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.864 -1.553 0.904 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.635 -3.268 0.623 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.433 -3.050 -2.855 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.862 -3.844 -1.321 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.755 -4.083 -2.025 1.00 0.00 H new ATOM 1107 N ILE A 73 1.646 -3.930 3.216 1.00 0.00 N ATOM 1108 CA ILE A 73 3.045 -3.790 3.584 1.00 0.00 C ATOM 1109 C ILE A 73 3.913 -4.522 2.559 1.00 0.00 C ATOM 1110 O ILE A 73 3.520 -5.564 2.038 1.00 0.00 O ATOM 1111 CB ILE A 73 3.269 -4.256 5.024 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.546 -3.342 6.015 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.762 -4.375 5.336 1.00 0.00 C ATOM 1114 CD1 ILE A 73 3.071 -3.551 7.437 1.00 0.00 C ATOM 0 H ILE A 73 1.378 -4.864 2.905 1.00 0.00 H new ATOM 0 HA ILE A 73 3.342 -2.741 3.563 1.00 0.00 H new ATOM 0 HB ILE A 73 2.838 -5.251 5.132 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.683 -2.301 5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.475 -3.543 5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.893 -4.708 6.366 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.218 -5.098 4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.240 -3.404 5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.540 -2.889 8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.910 -4.587 7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.137 -3.326 7.468 1.00 0.00 H new ATOM 1126 N VAL A 74 5.079 -3.947 2.300 1.00 0.00 N ATOM 1127 CA VAL A 74 6.006 -4.531 1.346 1.00 0.00 C ATOM 1128 C VAL A 74 7.374 -4.699 2.010 1.00 0.00 C ATOM 1129 O VAL A 74 7.958 -3.730 2.491 1.00 0.00 O ATOM 1130 CB VAL A 74 6.058 -3.678 0.077 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.729 -2.955 -0.153 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.220 -2.685 0.131 1.00 0.00 C ATOM 0 H VAL A 74 5.402 -3.083 2.735 1.00 0.00 H new ATOM 0 HA VAL A 74 5.668 -5.521 1.041 1.00 0.00 H new ATOM 0 HB VAL A 74 6.227 -4.345 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.793 -2.356 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.929 -3.688 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.517 -2.305 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.234 -2.091 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.096 -2.026 0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.160 -3.229 0.225 1.00 0.00 H new ATOM 1142 N ASN A 75 7.846 -5.937 2.013 1.00 0.00 N ATOM 1143 CA ASN A 75 9.135 -6.245 2.610 1.00 0.00 C ATOM 1144 C ASN A 75 10.055 -6.844 1.544 1.00 0.00 C ATOM 1145 O ASN A 75 9.667 -7.769 0.832 1.00 0.00 O ATOM 1146 CB ASN A 75 8.990 -7.268 3.738 1.00 0.00 C ATOM 1147 CG ASN A 75 8.084 -6.733 4.850 1.00 0.00 C ATOM 1148 OD1 ASN A 75 8.496 -5.968 5.706 1.00 0.00 O ATOM 1149 ND2 ASN A 75 6.832 -7.177 4.788 1.00 0.00 N ATOM 0 H ASN A 75 7.359 -6.739 1.612 1.00 0.00 H new ATOM 0 HA ASN A 75 9.549 -5.321 3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.577 -8.196 3.342 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.972 -7.506 4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.150 -6.878 5.485 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.554 -7.817 4.044 1.00 0.00 H new ATOM 1156 N ASN A 76 11.257 -6.293 1.468 1.00 0.00 N ATOM 1157 CA ASN A 76 12.236 -6.761 0.501 1.00 0.00 C ATOM 1158 C ASN A 76 12.001 -6.059 -0.837 1.00 0.00 C ATOM 1159 O ASN A 76 11.341 -6.603 -1.721 1.00 0.00 O ATOM 1160 CB ASN A 76 12.107 -8.269 0.273 1.00 0.00 C ATOM 1161 CG ASN A 76 11.822 -9.000 1.587 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.280 -8.618 2.651 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.043 -10.069 1.453 1.00 0.00 N ATOM 0 H ASN A 76 11.576 -5.526 2.060 1.00 0.00 H new ATOM 0 HA ASN A 76 13.229 -6.539 0.892 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.305 -8.466 -0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.026 -8.653 -0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.795 -10.625 2.271 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.694 -10.333 0.532 1.00 0.00 H new ATOM 1170 N LEU A 77 12.554 -4.859 -0.944 1.00 0.00 N ATOM 1171 CA LEU A 77 12.413 -4.076 -2.160 1.00 0.00 C ATOM 1172 C LEU A 77 13.634 -4.304 -3.053 1.00 0.00 C ATOM 1173 O LEU A 77 14.770 -4.222 -2.590 1.00 0.00 O ATOM 1174 CB LEU A 77 12.163 -2.605 -1.824 1.00 0.00 C ATOM 1175 CG LEU A 77 10.878 -2.302 -1.051 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.882 -0.867 -0.521 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.643 -2.595 -1.904 1.00 0.00 C ATOM 0 H LEU A 77 13.100 -4.410 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 77 11.540 -4.403 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.008 -2.237 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.146 -2.038 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 77 10.836 -2.964 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.957 -0.678 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.732 -0.728 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.959 -0.171 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.743 -2.371 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.665 -1.976 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.639 -3.647 -2.189 1.00 0.00 H new ATOM 1189 N LEU A 78 13.358 -4.586 -4.318 1.00 0.00 N ATOM 1190 CA LEU A 78 14.420 -4.827 -5.280 1.00 0.00 C ATOM 1191 C LEU A 78 15.568 -3.849 -5.021 1.00 0.00 C ATOM 1192 O LEU A 78 16.731 -4.247 -4.985 1.00 0.00 O ATOM 1193 CB LEU A 78 13.873 -4.769 -6.708 1.00 0.00 C ATOM 1194 CG LEU A 78 14.662 -5.551 -7.760 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.521 -7.059 -7.543 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.251 -5.135 -9.174 1.00 0.00 C ATOM 0 H LEU A 78 12.414 -4.653 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 78 14.823 -5.832 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.849 -5.142 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.829 -3.725 -7.017 1.00 0.00 H new ATOM 0 HG LEU A 78 15.718 -5.307 -7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.091 -7.591 -8.304 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.901 -7.322 -6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.470 -7.340 -7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.827 -5.706 -9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.188 -5.331 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.445 -4.071 -9.311 1.00 0.00 H new ATOM 1208 N LYS A 79 15.201 -2.588 -4.848 1.00 0.00 N ATOM 1209 CA LYS A 79 16.185 -1.550 -4.594 1.00 0.00 C ATOM 1210 C LYS A 79 15.782 -0.766 -3.344 1.00 0.00 C ATOM 1211 O LYS A 79 14.623 -0.800 -2.932 1.00 0.00 O ATOM 1212 CB LYS A 79 16.373 -0.675 -5.835 1.00 0.00 C ATOM 1213 CG LYS A 79 16.474 -1.530 -7.100 1.00 0.00 C ATOM 1214 CD LYS A 79 17.921 -1.951 -7.364 1.00 0.00 C ATOM 1215 CE LYS A 79 17.976 -3.267 -8.142 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.220 -4.003 -7.827 1.00 0.00 N ATOM 0 H LYS A 79 14.235 -2.262 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 79 17.161 -1.991 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.536 0.018 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.275 -0.073 -5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.847 -2.416 -6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.093 -0.969 -7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.434 -1.170 -7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.450 -2.062 -6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.110 -3.880 -7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.926 -3.066 -9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.242 -4.894 -8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.042 -3.422 -8.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.252 -4.211 -6.809 1.00 0.00 H new ATOM 1230 N PRO A 80 16.786 -0.059 -2.760 1.00 0.00 N ATOM 1231 CA PRO A 80 16.548 0.733 -1.565 1.00 0.00 C ATOM 1232 C PRO A 80 15.791 2.019 -1.902 1.00 0.00 C ATOM 1233 O PRO A 80 15.696 2.401 -3.067 1.00 0.00 O ATOM 1234 CB PRO A 80 17.928 0.990 -0.982 1.00 0.00 C ATOM 1235 CG PRO A 80 18.912 0.735 -2.112 1.00 0.00 C ATOM 1236 CD PRO A 80 18.170 0.006 -3.220 1.00 0.00 C ATOM 0 HA PRO A 80 15.914 0.222 -0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.012 2.013 -0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.124 0.330 -0.137 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.321 1.675 -2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.753 0.138 -1.759 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.248 0.541 -4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.580 -0.991 -3.382 1.00 0.00 H new ATOM 1244 N ILE A 81 15.272 2.652 -0.860 1.00 0.00 N ATOM 1245 CA ILE A 81 14.526 3.887 -1.030 1.00 0.00 C ATOM 1246 C ILE A 81 14.819 4.821 0.146 1.00 0.00 C ATOM 1247 O ILE A 81 15.077 4.362 1.258 1.00 0.00 O ATOM 1248 CB ILE A 81 13.038 3.593 -1.226 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.535 2.593 -0.182 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.755 3.121 -2.654 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.492 3.235 0.735 1.00 0.00 C ATOM 0 H ILE A 81 15.354 2.332 0.105 1.00 0.00 H new ATOM 0 HA ILE A 81 14.846 4.403 -1.935 1.00 0.00 H new ATOM 0 HB ILE A 81 12.484 4.520 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.101 1.727 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.373 2.230 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.690 2.919 -2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.053 3.897 -3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.320 2.211 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.151 2.503 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.936 4.086 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.644 3.575 0.140 1.00 0.00 H new ATOM 1263 N SER A 82 14.769 6.114 -0.139 1.00 0.00 N ATOM 1264 CA SER A 82 15.025 7.116 0.882 1.00 0.00 C ATOM 1265 C SER A 82 13.767 7.340 1.723 1.00 0.00 C ATOM 1266 O SER A 82 12.696 7.613 1.183 1.00 0.00 O ATOM 1267 CB SER A 82 15.488 8.433 0.257 1.00 0.00 C ATOM 1268 OG SER A 82 14.448 9.407 0.234 1.00 0.00 O ATOM 0 H SER A 82 14.555 6.491 -1.062 1.00 0.00 H new ATOM 0 HA SER A 82 15.824 6.751 1.527 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.337 8.822 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.836 8.250 -0.760 1.00 0.00 H new ATOM 0 HG SER A 82 14.758 10.206 -0.242 1.00 0.00 H new ATOM 1274 N VAL A 83 13.938 7.218 3.031 1.00 0.00 N ATOM 1275 CA VAL A 83 12.829 7.404 3.951 1.00 0.00 C ATOM 1276 C VAL A 83 12.503 8.895 4.055 1.00 0.00 C ATOM 1277 O VAL A 83 11.452 9.338 3.594 1.00 0.00 O ATOM 1278 CB VAL A 83 13.160 6.768 5.304 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.172 7.224 6.379 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.191 5.242 5.199 1.00 0.00 C ATOM 0 H VAL A 83 14.828 6.993 3.476 1.00 0.00 H new ATOM 0 HA VAL A 83 11.936 6.901 3.580 1.00 0.00 H new ATOM 0 HB VAL A 83 14.154 7.103 5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.429 6.758 7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.220 8.308 6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.162 6.931 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.428 4.815 6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.216 4.880 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.951 4.942 4.477 1.00 0.00 H new ATOM 1290 N GLU A 84 13.424 9.628 4.664 1.00 0.00 N ATOM 1291 CA GLU A 84 13.247 11.061 4.834 1.00 0.00 C ATOM 1292 C GLU A 84 12.695 11.684 3.550 1.00 0.00 C ATOM 1293 O GLU A 84 11.871 12.596 3.603 1.00 0.00 O ATOM 1294 CB GLU A 84 14.560 11.730 5.247 1.00 0.00 C ATOM 1295 CG GLU A 84 14.732 11.708 6.767 1.00 0.00 C ATOM 1296 CD GLU A 84 15.415 12.985 7.260 1.00 0.00 C ATOM 1297 OE1 GLU A 84 14.880 14.071 6.949 1.00 0.00 O ATOM 1298 OE2 GLU A 84 16.456 12.846 7.937 1.00 0.00 O ATOM 0 H GLU A 84 14.294 9.257 5.045 1.00 0.00 H new ATOM 0 HA GLU A 84 12.525 11.226 5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.398 11.217 4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.575 12.760 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.758 11.604 7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.324 10.840 7.057 1.00 0.00 H new ATOM 1305 N GLY A 85 13.170 11.166 2.427 1.00 0.00 N ATOM 1306 CA GLY A 85 12.734 11.660 1.132 1.00 0.00 C ATOM 1307 C GLY A 85 11.401 11.029 0.725 1.00 0.00 C ATOM 1308 O GLY A 85 10.592 11.661 0.047 1.00 0.00 O ATOM 0 H GLY A 85 13.853 10.409 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.631 12.745 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.491 11.437 0.380 1.00 0.00 H new ATOM 1312 N SER A 86 11.214 9.790 1.155 1.00 0.00 N ATOM 1313 CA SER A 86 9.993 9.066 0.844 1.00 0.00 C ATOM 1314 C SER A 86 8.776 9.867 1.310 1.00 0.00 C ATOM 1315 O SER A 86 8.887 10.712 2.198 1.00 0.00 O ATOM 1316 CB SER A 86 9.995 7.679 1.491 1.00 0.00 C ATOM 1317 OG SER A 86 10.567 6.692 0.636 1.00 0.00 O ATOM 0 H SER A 86 11.888 9.269 1.716 1.00 0.00 H new ATOM 0 HA SER A 86 9.940 8.933 -0.237 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.553 7.716 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.973 7.394 1.741 1.00 0.00 H new ATOM 0 HG SER A 86 11.500 6.925 0.446 1.00 0.00 H new ATOM 1323 N SER A 87 7.642 9.574 0.691 1.00 0.00 N ATOM 1324 CA SER A 87 6.405 10.257 1.032 1.00 0.00 C ATOM 1325 C SER A 87 5.206 9.375 0.679 1.00 0.00 C ATOM 1326 O SER A 87 5.331 8.437 -0.108 1.00 0.00 O ATOM 1327 CB SER A 87 6.304 11.604 0.313 1.00 0.00 C ATOM 1328 OG SER A 87 7.548 12.298 0.301 1.00 0.00 O ATOM 0 H SER A 87 7.553 8.873 -0.045 1.00 0.00 H new ATOM 0 HA SER A 87 6.404 10.448 2.105 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.969 11.444 -0.712 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.550 12.220 0.802 1.00 0.00 H new ATOM 0 HG SER A 87 7.442 13.152 -0.168 1.00 0.00 H new ATOM 1334 N LYS A 88 4.072 9.706 1.278 1.00 0.00 N ATOM 1335 CA LYS A 88 2.851 8.956 1.037 1.00 0.00 C ATOM 1336 C LYS A 88 1.761 9.908 0.540 1.00 0.00 C ATOM 1337 O LYS A 88 1.641 11.030 1.031 1.00 0.00 O ATOM 1338 CB LYS A 88 2.454 8.164 2.284 1.00 0.00 C ATOM 1339 CG LYS A 88 1.433 8.936 3.122 1.00 0.00 C ATOM 1340 CD LYS A 88 0.040 8.866 2.491 1.00 0.00 C ATOM 1341 CE LYS A 88 -0.912 8.037 3.356 1.00 0.00 C ATOM 1342 NZ LYS A 88 -1.972 8.895 3.929 1.00 0.00 N ATOM 0 H LYS A 88 3.973 10.484 1.930 1.00 0.00 H new ATOM 0 HA LYS A 88 3.008 8.215 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.035 7.202 1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.340 7.956 2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.400 8.525 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.744 9.977 3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.358 9.873 2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.109 8.427 1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.361 7.245 2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.355 7.552 4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.074 8.690 4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.716 9.895 3.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.873 8.704 3.445 1.00 0.00 H new ATOM 1356 N LYS A 89 0.995 9.427 -0.428 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.080 10.222 -0.996 1.00 0.00 C ATOM 1358 C LYS A 89 -1.321 9.343 -1.170 1.00 0.00 C ATOM 1359 O LYS A 89 -1.223 8.117 -1.169 1.00 0.00 O ATOM 1360 CB LYS A 89 0.379 10.899 -2.289 1.00 0.00 C ATOM 1361 CG LYS A 89 0.959 12.286 -2.005 1.00 0.00 C ATOM 1362 CD LYS A 89 0.395 13.325 -2.976 1.00 0.00 C ATOM 1363 CE LYS A 89 0.886 13.066 -4.402 1.00 0.00 C ATOM 1364 NZ LYS A 89 0.009 13.744 -5.383 1.00 0.00 N ATOM 0 H LYS A 89 1.098 8.497 -0.833 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.353 11.031 -0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.130 10.281 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.462 10.986 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.729 12.578 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.045 12.255 -2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.694 13.297 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.695 14.324 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.909 13.425 -4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.901 11.994 -4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.356 13.558 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.962 13.382 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.015 14.769 -5.205 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.460 10.005 -1.314 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.718 9.300 -1.488 1.00 0.00 C ATOM 1380 C VAL A 90 -4.507 9.947 -2.628 1.00 0.00 C ATOM 1381 O VAL A 90 -4.638 11.169 -2.682 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.490 9.272 -0.167 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.867 8.631 -0.350 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.689 8.552 0.920 1.00 0.00 C ATOM 0 H VAL A 90 -2.537 11.022 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.538 8.261 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.641 10.302 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.395 8.624 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.441 9.204 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.748 7.608 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.260 8.546 1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.493 7.526 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.743 9.070 1.079 1.00 0.00 H new ATOM 1394 N LYS A 91 -5.013 9.099 -3.511 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.785 9.573 -4.647 1.00 0.00 C ATOM 1396 C LYS A 91 -7.228 9.081 -4.518 1.00 0.00 C ATOM 1397 O LYS A 91 -7.563 8.370 -3.571 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.112 9.167 -5.960 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.096 8.046 -5.732 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.536 7.535 -7.060 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.728 8.624 -7.770 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.262 8.863 -9.129 1.00 0.00 N ATOM 0 H LYS A 91 -4.903 8.086 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.818 10.662 -4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.868 8.838 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.613 10.031 -6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.281 8.410 -5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.570 7.225 -5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.903 6.666 -6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.354 7.207 -7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.764 9.547 -7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.681 8.327 -7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.702 9.605 -9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.205 7.985 -9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.254 9.168 -9.063 1.00 0.00 H new ATOM 1416 N THR A 92 -8.044 9.479 -5.483 1.00 0.00 N ATOM 1417 CA THR A 92 -9.443 9.087 -5.489 1.00 0.00 C ATOM 1418 C THR A 92 -9.570 7.563 -5.524 1.00 0.00 C ATOM 1419 O THR A 92 -9.075 6.916 -6.446 1.00 0.00 O ATOM 1420 CB THR A 92 -10.124 9.781 -6.670 1.00 0.00 C ATOM 1421 OG1 THR A 92 -10.038 11.168 -6.354 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.627 9.503 -6.726 1.00 0.00 C ATOM 0 H THR A 92 -7.763 10.069 -6.266 1.00 0.00 H new ATOM 0 HA THR A 92 -9.946 9.402 -4.575 1.00 0.00 H new ATOM 0 HB THR A 92 -9.660 9.453 -7.600 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.455 11.693 -7.069 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.061 10.019 -7.583 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.795 8.431 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.098 9.861 -5.810 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.237 7.033 -4.509 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.435 5.596 -4.413 1.00 0.00 C ATOM 1432 C ASP A 93 -9.114 4.883 -4.708 1.00 0.00 C ATOM 1433 O ASP A 93 -9.109 3.777 -5.246 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.470 5.114 -5.431 1.00 0.00 C ATOM 1435 CG ASP A 93 -11.102 5.362 -6.895 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -10.203 4.644 -7.383 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -11.728 6.264 -7.493 1.00 0.00 O ATOM 0 H ASP A 93 -10.647 7.572 -3.746 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.787 5.370 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.628 4.045 -5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.420 5.607 -5.222 1.00 0.00 H new ATOM 1442 N THR A 94 -8.026 5.544 -4.342 1.00 0.00 N ATOM 1443 CA THR A 94 -6.702 4.987 -4.560 1.00 0.00 C ATOM 1444 C THR A 94 -5.698 5.600 -3.582 1.00 0.00 C ATOM 1445 O THR A 94 -5.812 6.770 -3.221 1.00 0.00 O ATOM 1446 CB THR A 94 -6.333 5.207 -6.028 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.230 4.361 -6.743 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.947 4.657 -6.372 1.00 0.00 C ATOM 0 H THR A 94 -8.034 6.461 -3.895 1.00 0.00 H new ATOM 0 HA THR A 94 -6.686 3.915 -4.363 1.00 0.00 H new ATOM 0 HB THR A 94 -6.367 6.273 -6.255 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.628 3.711 -6.127 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.734 4.839 -7.425 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.196 5.155 -5.759 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.922 3.585 -6.177 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.736 4.781 -3.182 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.712 5.228 -2.253 1.00 0.00 C ATOM 1458 C VAL A 95 -2.353 5.221 -2.956 1.00 0.00 C ATOM 1459 O VAL A 95 -1.963 4.217 -3.550 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.736 4.362 -0.991 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.524 2.887 -1.334 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.698 4.844 0.024 1.00 0.00 C ATOM 0 H VAL A 95 -4.644 3.811 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.908 6.251 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.721 4.461 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.546 2.294 -0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.317 2.551 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.559 2.763 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.736 4.212 0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.703 4.789 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.914 5.875 0.304 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.670 6.353 -2.866 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.364 6.490 -3.486 1.00 0.00 C ATOM 1474 C LEU A 96 0.722 6.223 -2.442 1.00 0.00 C ATOM 1475 O LEU A 96 0.537 6.511 -1.261 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.236 7.852 -4.172 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.391 7.854 -5.694 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.118 9.165 -6.295 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.293 6.635 -6.316 1.00 0.00 C ATOM 0 H LEU A 96 -1.997 7.184 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.238 5.749 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.986 8.521 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.740 8.270 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.453 7.783 -5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.004 9.140 -7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.452 9.999 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.173 9.292 -6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.168 6.661 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.355 6.650 -6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.156 5.724 -5.920 1.00 0.00 H new ATOM 1491 N ILE A 97 1.832 5.676 -2.916 1.00 0.00 N ATOM 1492 CA ILE A 97 2.948 5.367 -2.038 1.00 0.00 C ATOM 1493 C ILE A 97 4.254 5.797 -2.709 1.00 0.00 C ATOM 1494 O ILE A 97 4.871 5.016 -3.432 1.00 0.00 O ATOM 1495 CB ILE A 97 2.920 3.891 -1.636 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.536 3.487 -1.125 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.020 3.579 -0.618 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.244 4.129 0.233 1.00 0.00 C ATOM 0 H ILE A 97 1.982 5.439 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 97 2.868 5.929 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 97 3.123 3.292 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.776 3.790 -1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.479 2.402 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.978 2.524 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.993 3.804 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.873 4.187 0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.254 3.826 0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.992 3.805 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.278 5.214 0.137 1.00 0.00 H new ATOM 1510 N LEU A 98 4.636 7.038 -2.447 1.00 0.00 N ATOM 1511 CA LEU A 98 5.857 7.581 -3.016 1.00 0.00 C ATOM 1512 C LEU A 98 7.062 7.033 -2.248 1.00 0.00 C ATOM 1513 O LEU A 98 7.192 7.261 -1.046 1.00 0.00 O ATOM 1514 CB LEU A 98 5.797 9.109 -3.055 1.00 0.00 C ATOM 1515 CG LEU A 98 4.697 9.715 -3.929 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.150 11.002 -3.309 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.192 9.934 -5.360 1.00 0.00 C ATOM 0 H LEU A 98 4.121 7.683 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 98 5.967 7.262 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.666 9.474 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.759 9.482 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 98 3.871 9.005 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.370 11.412 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.734 10.784 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.956 11.729 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.391 10.365 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.044 10.613 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.494 8.979 -5.791 1.00 0.00 H new ATOM 1529 N CYS A 99 7.911 6.320 -2.973 1.00 0.00 N ATOM 1530 CA CYS A 99 9.100 5.737 -2.375 1.00 0.00 C ATOM 1531 C CYS A 99 10.326 6.310 -3.087 1.00 0.00 C ATOM 1532 O CYS A 99 10.589 5.978 -4.242 1.00 0.00 O ATOM 1533 CB CYS A 99 9.070 4.208 -2.430 1.00 0.00 C ATOM 1534 SG CYS A 99 8.199 3.545 -0.964 1.00 0.00 S ATOM 0 H CYS A 99 7.799 6.133 -3.969 1.00 0.00 H new ATOM 0 HA CYS A 99 9.142 5.996 -1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.569 3.879 -3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.087 3.817 -2.466 1.00 0.00 H new ATOM 0 HG CYS A 99 8.178 2.246 -1.022 1.00 0.00 H new ATOM 1540 N ARG A 100 11.045 7.161 -2.369 1.00 0.00 N ATOM 1541 CA ARG A 100 12.237 7.783 -2.918 1.00 0.00 C ATOM 1542 C ARG A 100 13.237 6.714 -3.362 1.00 0.00 C ATOM 1543 O ARG A 100 13.318 5.645 -2.759 1.00 0.00 O ATOM 1544 CB ARG A 100 12.904 8.699 -1.889 1.00 0.00 C ATOM 1545 CG ARG A 100 12.443 10.147 -2.065 1.00 0.00 C ATOM 1546 CD ARG A 100 12.538 10.579 -3.530 1.00 0.00 C ATOM 1547 NE ARG A 100 11.204 10.508 -4.166 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.202 11.359 -3.909 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.377 12.352 -3.026 1.00 0.00 N ATOM 1550 NH2 ARG A 100 9.026 11.218 -4.534 1.00 0.00 N ATOM 0 H ARG A 100 10.824 7.434 -1.411 1.00 0.00 H new ATOM 0 HA ARG A 100 11.933 8.381 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.664 8.357 -0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.987 8.643 -1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.415 10.250 -1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.055 10.805 -1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.927 11.595 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.239 9.936 -4.063 1.00 0.00 H new ATOM 0 HE ARG A 100 11.037 9.764 -4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.273 12.459 -2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.614 13.000 -2.830 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.893 10.462 -5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.263 11.866 -4.338 1.00 0.00 H new ATOM 1564 N LYS A 101 13.975 7.039 -4.414 1.00 0.00 N ATOM 1565 CA LYS A 101 14.966 6.120 -4.946 1.00 0.00 C ATOM 1566 C LYS A 101 16.335 6.449 -4.345 1.00 0.00 C ATOM 1567 O LYS A 101 16.656 7.616 -4.126 1.00 0.00 O ATOM 1568 CB LYS A 101 14.946 6.137 -6.475 1.00 0.00 C ATOM 1569 CG LYS A 101 14.189 4.926 -7.027 1.00 0.00 C ATOM 1570 CD LYS A 101 14.506 4.710 -8.508 1.00 0.00 C ATOM 1571 CE LYS A 101 14.017 3.339 -8.979 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.645 3.385 -10.411 1.00 0.00 N ATOM 0 H LYS A 101 13.906 7.927 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 101 14.729 5.096 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.475 7.055 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.967 6.136 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.458 4.035 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.117 5.073 -6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.034 5.492 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.581 4.792 -8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.798 2.595 -8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.158 3.029 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.746 2.882 -10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.538 4.375 -10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.389 2.931 -10.978 1.00 0.00 H new ATOM 1585 N LYS A 102 17.104 5.400 -4.096 1.00 0.00 N ATOM 1586 CA LYS A 102 18.430 5.563 -3.526 1.00 0.00 C ATOM 1587 C LYS A 102 19.450 5.727 -4.655 1.00 0.00 C ATOM 1588 O LYS A 102 20.495 6.348 -4.467 1.00 0.00 O ATOM 1589 CB LYS A 102 18.749 4.410 -2.572 1.00 0.00 C ATOM 1590 CG LYS A 102 19.866 4.794 -1.600 1.00 0.00 C ATOM 1591 CD LYS A 102 20.007 3.754 -0.487 1.00 0.00 C ATOM 1592 CE LYS A 102 21.400 3.811 0.144 1.00 0.00 C ATOM 1593 NZ LYS A 102 21.457 2.959 1.352 1.00 0.00 N ATOM 0 H LYS A 102 16.834 4.433 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 102 18.475 6.469 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.854 4.138 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.047 3.532 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.808 4.883 -2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.654 5.771 -1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.250 3.930 0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.827 2.758 -0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 102 22.146 3.479 -0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 102 21.645 4.840 0.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.409 3.009 1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 20.758 3.293 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.244 1.975 1.093 1.00 0.00 H new ATOM 1607 N VAL A 103 19.111 5.158 -5.802 1.00 0.00 N ATOM 1608 CA VAL A 103 19.984 5.232 -6.961 1.00 0.00 C ATOM 1609 C VAL A 103 19.133 5.319 -8.230 1.00 0.00 C ATOM 1610 O VAL A 103 18.374 4.401 -8.537 1.00 0.00 O ATOM 1611 CB VAL A 103 20.948 4.045 -6.968 1.00 0.00 C ATOM 1612 CG1 VAL A 103 21.730 3.980 -8.282 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.897 4.102 -5.769 1.00 0.00 C ATOM 0 H VAL A 103 18.243 4.643 -5.954 1.00 0.00 H new ATOM 0 HA VAL A 103 20.599 6.131 -6.919 1.00 0.00 H new ATOM 0 HB VAL A 103 20.356 3.134 -6.885 1.00 0.00 H new ATOM 0 HG11 VAL A 103 22.408 3.127 -8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 103 21.035 3.870 -9.114 1.00 0.00 H new ATOM 0 HG13 VAL A 103 22.305 4.897 -8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.572 3.246 -5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 103 22.478 5.024 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.318 4.077 -4.846 1.00 0.00 H new ATOM 1623 N GLU A 104 19.289 6.430 -8.934 1.00 0.00 N ATOM 1624 CA GLU A 104 18.545 6.648 -10.163 1.00 0.00 C ATOM 1625 C GLU A 104 18.973 5.638 -11.229 1.00 0.00 C ATOM 1626 O GLU A 104 19.755 4.730 -10.951 1.00 0.00 O ATOM 1627 CB GLU A 104 18.722 8.083 -10.664 1.00 0.00 C ATOM 1628 CG GLU A 104 18.096 9.085 -9.692 1.00 0.00 C ATOM 1629 CD GLU A 104 18.745 10.463 -9.831 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.912 10.498 -10.279 1.00 0.00 O ATOM 1631 OE2 GLU A 104 18.061 11.450 -9.486 1.00 0.00 O ATOM 0 H GLU A 104 19.920 7.189 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 104 17.486 6.499 -9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.783 8.302 -10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 104 18.262 8.188 -11.647 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.026 9.162 -9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.212 8.726 -8.669 1.00 0.00 H new ATOM 1638 N ASN A 105 18.442 5.830 -12.428 1.00 0.00 N ATOM 1639 CA ASN A 105 18.759 4.947 -13.537 1.00 0.00 C ATOM 1640 C ASN A 105 18.804 3.502 -13.036 1.00 0.00 C ATOM 1641 O ASN A 105 19.718 2.752 -13.376 1.00 0.00 O ATOM 1642 CB ASN A 105 20.127 5.283 -14.135 1.00 0.00 C ATOM 1643 CG ASN A 105 20.155 6.716 -14.669 1.00 0.00 C ATOM 1644 OD1 ASN A 105 19.813 7.668 -13.987 1.00 0.00 O ATOM 1645 ND2 ASN A 105 20.580 6.816 -15.925 1.00 0.00 N ATOM 0 H ASN A 105 17.794 6.584 -12.655 1.00 0.00 H new ATOM 0 HA ASN A 105 17.991 5.074 -14.300 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.900 5.159 -13.376 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.357 4.586 -14.941 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.635 7.730 -16.374 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.851 5.978 -16.440 1.00 0.00 H new ATOM 1652 N THR A 106 17.806 3.155 -12.237 1.00 0.00 N ATOM 1653 CA THR A 106 17.720 1.813 -11.687 1.00 0.00 C ATOM 1654 C THR A 106 16.331 1.222 -11.937 1.00 0.00 C ATOM 1655 O THR A 106 15.370 1.573 -11.255 1.00 0.00 O ATOM 1656 CB THR A 106 18.090 1.886 -10.204 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.512 1.982 -10.206 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.807 0.577 -9.464 1.00 0.00 C ATOM 0 H THR A 106 17.050 3.780 -11.957 1.00 0.00 H new ATOM 0 HA THR A 106 18.420 1.138 -12.180 1.00 0.00 H new ATOM 0 HB THR A 106 17.536 2.697 -9.732 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.780 2.868 -10.528 1.00 0.00 H new ATOM 0 HG21 THR A 106 18.088 0.683 -8.416 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.745 0.342 -9.533 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.387 -0.228 -9.915 1.00 0.00 H new ATOM 1666 N ARG A 107 16.270 0.333 -12.919 1.00 0.00 N ATOM 1667 CA ARG A 107 15.015 -0.311 -13.268 1.00 0.00 C ATOM 1668 C ARG A 107 14.628 -1.335 -12.199 1.00 0.00 C ATOM 1669 O ARG A 107 15.488 -2.031 -11.661 1.00 0.00 O ATOM 1670 CB ARG A 107 15.115 -1.012 -14.624 1.00 0.00 C ATOM 1671 CG ARG A 107 13.852 -0.779 -15.456 1.00 0.00 C ATOM 1672 CD ARG A 107 14.203 -0.264 -16.853 1.00 0.00 C ATOM 1673 NE ARG A 107 13.800 1.154 -16.985 1.00 0.00 N ATOM 1674 CZ ARG A 107 14.010 1.896 -18.081 1.00 0.00 C ATOM 1675 NH1 ARG A 107 14.621 1.360 -19.146 1.00 0.00 N ATOM 1676 NH2 ARG A 107 13.610 3.175 -18.112 1.00 0.00 N ATOM 0 H ARG A 107 17.069 0.044 -13.483 1.00 0.00 H new ATOM 0 HA ARG A 107 14.250 0.463 -13.327 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.985 -0.641 -15.166 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.264 -2.081 -14.475 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.290 -1.709 -15.538 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.207 -0.060 -14.951 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.274 -0.364 -17.028 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.699 -0.866 -17.609 1.00 0.00 H new ATOM 0 HE ARG A 107 13.333 1.594 -16.192 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.926 0.387 -19.123 1.00 0.00 H new ATOM 0 HH12 ARG A 107 14.781 1.925 -19.980 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.146 3.584 -17.301 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.770 3.739 -18.946 1.00 0.00 H new ATOM 1690 N TRP A 108 13.334 -1.394 -11.923 1.00 0.00 N ATOM 1691 CA TRP A 108 12.822 -2.321 -10.928 1.00 0.00 C ATOM 1692 C TRP A 108 12.093 -3.448 -11.662 1.00 0.00 C ATOM 1693 O TRP A 108 10.951 -3.280 -12.087 1.00 0.00 O ATOM 1694 CB TRP A 108 11.936 -1.599 -9.910 1.00 0.00 C ATOM 1695 CG TRP A 108 12.715 -0.832 -8.841 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.869 -0.164 -8.980 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.348 -0.678 -7.453 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.270 0.406 -7.789 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.316 0.083 -6.831 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.235 -1.167 -6.748 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.268 0.424 -5.474 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 11.202 -0.818 -5.392 1.00 0.00 C ATOM 1703 CH2 TRP A 108 12.168 -0.052 -4.751 1.00 0.00 C ATOM 0 H TRP A 108 12.624 -0.815 -12.371 1.00 0.00 H new ATOM 0 HA TRP A 108 13.638 -2.754 -10.349 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.285 -0.904 -10.439 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.292 -2.330 -9.421 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.416 -0.082 -9.908 1.00 0.00 H new ATOM 0 HE1 TRP A 108 15.112 0.962 -7.639 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.466 -1.765 -7.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.038 1.022 -5.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.367 -1.169 -4.803 1.00 0.00 H new ATOM 0 HH2 TRP A 108 12.071 0.175 -3.700 1.00 0.00 H new ATOM 1714 N ASP A 109 12.784 -4.572 -11.789 1.00 0.00 N ATOM 1715 CA ASP A 109 12.217 -5.726 -12.465 1.00 0.00 C ATOM 1716 C ASP A 109 11.051 -6.273 -11.639 1.00 0.00 C ATOM 1717 O ASP A 109 10.233 -7.041 -12.145 1.00 0.00 O ATOM 1718 CB ASP A 109 13.254 -6.841 -12.616 1.00 0.00 C ATOM 1719 CG ASP A 109 14.476 -6.476 -13.460 1.00 0.00 C ATOM 1720 OD1 ASP A 109 14.368 -6.600 -14.699 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.492 -6.082 -12.847 1.00 0.00 O ATOM 0 H ASP A 109 13.731 -4.708 -11.435 1.00 0.00 H new ATOM 0 HA ASP A 109 11.884 -5.408 -13.453 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.592 -7.139 -11.624 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.769 -7.710 -13.062 1.00 0.00 H new ATOM 1726 N TYR A 110 11.012 -5.857 -10.382 1.00 0.00 N ATOM 1727 CA TYR A 110 9.960 -6.296 -9.480 1.00 0.00 C ATOM 1728 C TYR A 110 9.828 -5.346 -8.288 1.00 0.00 C ATOM 1729 O TYR A 110 10.770 -4.631 -7.952 1.00 0.00 O ATOM 1730 CB TYR A 110 10.387 -7.675 -8.973 1.00 0.00 C ATOM 1731 CG TYR A 110 10.568 -8.716 -10.080 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.467 -9.213 -10.747 1.00 0.00 C ATOM 1733 CD2 TYR A 110 11.833 -9.159 -10.411 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.637 -10.193 -11.788 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.003 -10.139 -11.452 1.00 0.00 C ATOM 1736 CZ TYR A 110 10.897 -10.607 -12.089 1.00 0.00 C ATOM 1737 OH TYR A 110 11.058 -11.533 -13.073 1.00 0.00 O ATOM 0 H TYR A 110 11.692 -5.220 -9.966 1.00 0.00 H new ATOM 0 HA TYR A 110 8.999 -6.319 -9.994 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.324 -7.575 -8.425 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.641 -8.038 -8.266 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.477 -8.867 -10.488 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.695 -8.770 -9.889 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.784 -10.590 -12.318 1.00 0.00 H new ATOM 0 HE2 TYR A 110 12.987 -10.494 -11.721 1.00 0.00 H new ATOM 0 HH TYR A 110 12.011 -11.734 -13.181 1.00 0.00 H new ATOM 1747 N LEU A 111 8.650 -5.370 -7.682 1.00 0.00 N ATOM 1748 CA LEU A 111 8.382 -4.519 -6.535 1.00 0.00 C ATOM 1749 C LEU A 111 9.203 -5.008 -5.340 1.00 0.00 C ATOM 1750 O LEU A 111 9.564 -4.220 -4.467 1.00 0.00 O ATOM 1751 CB LEU A 111 6.878 -4.449 -6.259 1.00 0.00 C ATOM 1752 CG LEU A 111 6.371 -3.150 -5.629 1.00 0.00 C ATOM 1753 CD1 LEU A 111 4.976 -3.339 -5.031 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.369 -2.614 -4.600 1.00 0.00 C ATOM 0 H LEU A 111 7.871 -5.965 -7.963 1.00 0.00 H new ATOM 0 HA LEU A 111 8.694 -3.495 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.349 -4.604 -7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.610 -5.277 -5.602 1.00 0.00 H new ATOM 0 HG LEU A 111 6.285 -2.400 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.639 -2.401 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.282 -3.641 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.012 -4.110 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.985 -1.690 -4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.511 -3.353 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.324 -2.416 -5.088 1.00 0.00 H new ATOM 1766 N THR A 112 9.476 -6.304 -5.341 1.00 0.00 N ATOM 1767 CA THR A 112 10.249 -6.907 -4.268 1.00 0.00 C ATOM 1768 C THR A 112 11.124 -8.038 -4.812 1.00 0.00 C ATOM 1769 O THR A 112 10.790 -8.656 -5.822 1.00 0.00 O ATOM 1770 CB THR A 112 9.273 -7.363 -3.181 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.239 -8.030 -3.900 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.560 -6.190 -2.505 1.00 0.00 C ATOM 0 H THR A 112 9.176 -6.954 -6.068 1.00 0.00 H new ATOM 0 HA THR A 112 10.939 -6.189 -3.825 1.00 0.00 H new ATOM 0 HB THR A 112 9.811 -7.942 -2.430 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.564 -8.360 -3.271 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.879 -6.569 -1.742 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.297 -5.535 -2.041 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.995 -5.630 -3.250 1.00 0.00 H new