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 17:sc= 0.289 USER MOD Set 1.2: A 57 SER OG : rot 57:sc= 0.673 USER MOD Single : A 17 THR OG1 : rot 15:sc= 0.766 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc=-0.000873 USER MOD Single : A 22 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.9!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.48! C(o=-1.5!,f=-14!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 165:sc= -0.24 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -2.7! USER MOD Single : A 42 HIS : no HD1:sc= -2.01 K(o=-2,f=-4.6!) USER MOD Single : A 43 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.042) USER MOD Single : A 46 THR OG1 : rot -15:sc= 0.599! USER MOD Single : A 48 ASN :FLIP amide:sc= -2.69 F(o=-3.3!,f=-2.7) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 52 HIS : no HE2:sc= -0.0161 X(o=-0.016,f=-0.39) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc=-0.00937 X(o=-0.0094,f=-0.28) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.622 F(o=-2.2,f=-0.62) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.183 USER MOD Single : A 70 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 71 SER OG : rot -6:sc= 1.13 USER MOD Single : A 72 MET CE :methyl -131:sc= -8.78! (180deg=-13.4!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.17 F(o=-0.89,f=-0.17) USER MOD Single : A 76 ASN : amide:sc= -5.4! C(o=-5.4!,f=-9.8!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 66:sc= 1.2 USER MOD Single : A 87 SER OG : rot 180:sc= -0.42 USER MOD Single : A 88 LYS NZ :NH3+ -134:sc= -0.676 (180deg=-1.76) 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 -5:sc= 0.383! USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -134:sc= 0.779 (180deg=-0.289) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc=-0.000714 X(o=-0.00071,f=0.094) USER MOD Single : A 106 THR OG1 : rot -140:sc= -0.784 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 -8.127 -6.569 9.736 1.00 0.00 N ATOM 198 CA THR A 17 -7.843 -5.737 8.580 1.00 0.00 C ATOM 199 C THR A 17 -7.714 -6.598 7.322 1.00 0.00 C ATOM 200 O THR A 17 -7.259 -7.739 7.390 1.00 0.00 O ATOM 201 CB THR A 17 -6.589 -4.915 8.885 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.491 -4.946 10.306 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.766 -3.432 8.555 1.00 0.00 C ATOM 0 HA THR A 17 -8.661 -5.045 8.380 1.00 0.00 H new ATOM 0 HB THR A 17 -5.747 -5.314 8.319 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.078 -5.647 10.659 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.847 -2.895 8.790 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.991 -3.320 7.494 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.586 -3.023 9.145 1.00 0.00 H new ATOM 211 N VAL A 18 -8.123 -6.019 6.202 1.00 0.00 N ATOM 212 CA VAL A 18 -8.059 -6.719 4.931 1.00 0.00 C ATOM 213 C VAL A 18 -6.619 -6.700 4.415 1.00 0.00 C ATOM 214 O VAL A 18 -5.843 -5.810 4.761 1.00 0.00 O ATOM 215 CB VAL A 18 -9.055 -6.105 3.945 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.719 -6.504 2.506 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.491 -6.496 4.301 1.00 0.00 C ATOM 0 H VAL A 18 -8.500 -5.073 6.149 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.346 -7.763 5.055 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.975 -5.021 4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.442 -6.054 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.718 -6.153 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.757 -7.589 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.179 -6.047 3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.591 -7.581 4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.727 -6.139 5.304 1.00 0.00 H new ATOM 227 N LYS A 19 -6.304 -7.693 3.596 1.00 0.00 N ATOM 228 CA LYS A 19 -4.971 -7.802 3.029 1.00 0.00 C ATOM 229 C LYS A 19 -5.020 -7.431 1.546 1.00 0.00 C ATOM 230 O LYS A 19 -5.667 -8.113 0.753 1.00 0.00 O ATOM 231 CB LYS A 19 -4.387 -9.190 3.297 1.00 0.00 C ATOM 232 CG LYS A 19 -3.525 -9.659 2.122 1.00 0.00 C ATOM 233 CD LYS A 19 -2.826 -10.980 2.448 1.00 0.00 C ATOM 234 CE LYS A 19 -1.999 -11.470 1.257 1.00 0.00 C ATOM 235 NZ LYS A 19 -1.465 -12.825 1.520 1.00 0.00 N ATOM 0 H LYS A 19 -6.950 -8.430 3.312 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.293 -7.098 3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.787 -9.166 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.195 -9.902 3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.148 -9.782 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.781 -8.898 1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.179 -10.849 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.568 -11.732 2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.617 -11.484 0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.177 -10.779 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.906 -13.143 0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.859 -12.801 2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.254 -13.484 1.678 1.00 0.00 H new ATOM 249 N ILE A 20 -4.328 -6.350 1.215 1.00 0.00 N ATOM 250 CA ILE A 20 -4.284 -5.881 -0.159 1.00 0.00 C ATOM 251 C ILE A 20 -3.362 -6.789 -0.975 1.00 0.00 C ATOM 252 O ILE A 20 -2.141 -6.653 -0.917 1.00 0.00 O ATOM 253 CB ILE A 20 -3.893 -4.403 -0.208 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.733 -3.580 0.771 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.980 -3.859 -1.635 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.481 -2.082 0.586 1.00 0.00 C ATOM 0 H ILE A 20 -3.793 -5.786 1.875 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.273 -5.941 -0.613 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.853 -4.315 0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.791 -3.796 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.493 -3.869 1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.697 -2.806 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.304 -4.420 -2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.001 -3.962 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.090 -1.520 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.427 -1.866 0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.745 -1.791 -0.431 1.00 0.00 H new ATOM 268 N SER A 21 -3.982 -7.695 -1.717 1.00 0.00 N ATOM 269 CA SER A 21 -3.232 -8.625 -2.543 1.00 0.00 C ATOM 270 C SER A 21 -2.928 -7.991 -3.902 1.00 0.00 C ATOM 271 O SER A 21 -1.771 -7.917 -4.312 1.00 0.00 O ATOM 272 CB SER A 21 -3.997 -9.937 -2.729 1.00 0.00 C ATOM 273 OG SER A 21 -4.165 -10.636 -1.499 1.00 0.00 O ATOM 0 H SER A 21 -4.995 -7.805 -1.763 1.00 0.00 H new ATOM 0 HA SER A 21 -2.294 -8.851 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.975 -9.728 -3.164 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.463 -10.571 -3.436 1.00 0.00 H new ATOM 0 HG SER A 21 -4.659 -11.467 -1.660 1.00 0.00 H new ATOM 279 N ASN A 22 -3.988 -7.549 -4.563 1.00 0.00 N ATOM 280 CA ASN A 22 -3.850 -6.923 -5.867 1.00 0.00 C ATOM 281 C ASN A 22 -3.597 -5.425 -5.684 1.00 0.00 C ATOM 282 O ASN A 22 -4.418 -4.719 -5.101 1.00 0.00 O ATOM 283 CB ASN A 22 -5.125 -7.089 -6.696 1.00 0.00 C ATOM 284 CG ASN A 22 -4.814 -7.707 -8.061 1.00 0.00 C ATOM 285 OD1 ASN A 22 -3.689 -7.702 -8.532 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.872 -8.237 -8.668 1.00 0.00 N ATOM 0 H ASN A 22 -4.946 -7.612 -4.220 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.019 -7.402 -6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.833 -7.721 -6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.604 -6.119 -6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.769 -8.673 -9.584 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.787 -8.207 -8.217 1.00 0.00 H new ATOM 293 N TYR A 23 -2.456 -4.984 -6.194 1.00 0.00 N ATOM 294 CA TYR A 23 -2.084 -3.582 -6.094 1.00 0.00 C ATOM 295 C TYR A 23 -1.233 -3.155 -7.291 1.00 0.00 C ATOM 296 O TYR A 23 -0.336 -3.884 -7.711 1.00 0.00 O ATOM 297 CB TYR A 23 -1.249 -3.457 -4.818 1.00 0.00 C ATOM 298 CG TYR A 23 -0.052 -4.408 -4.762 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.071 -4.149 -5.521 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.095 -5.525 -3.953 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.198 -5.044 -5.469 1.00 0.00 C ATOM 302 CE2 TYR A 23 1.032 -6.420 -3.901 1.00 0.00 C ATOM 303 CZ TYR A 23 2.123 -6.136 -4.661 1.00 0.00 C ATOM 304 OH TYR A 23 3.187 -6.981 -4.611 1.00 0.00 O ATOM 0 H TYR A 23 -1.777 -5.572 -6.677 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.971 -2.949 -6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.890 -2.432 -4.730 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.890 -3.645 -3.957 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.105 -3.275 -6.154 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.974 -5.728 -3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.083 -4.853 -6.058 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.011 -7.298 -3.272 1.00 0.00 H new ATOM 0 HH TYR A 23 2.993 -7.716 -3.992 1.00 0.00 H new ATOM 314 N GLY A 24 -1.543 -1.974 -7.806 1.00 0.00 N ATOM 315 CA GLY A 24 -0.818 -1.441 -8.946 1.00 0.00 C ATOM 316 C GLY A 24 0.429 -0.678 -8.494 1.00 0.00 C ATOM 317 O GLY A 24 0.375 0.100 -7.544 1.00 0.00 O ATOM 0 H GLY A 24 -2.287 -1.371 -7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.530 -2.255 -9.611 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.468 -0.778 -9.517 1.00 0.00 H new ATOM 321 N TRP A 25 1.524 -0.929 -9.197 1.00 0.00 N ATOM 322 CA TRP A 25 2.783 -0.276 -8.881 1.00 0.00 C ATOM 323 C TRP A 25 3.462 0.106 -10.197 1.00 0.00 C ATOM 324 O TRP A 25 3.252 -0.545 -11.220 1.00 0.00 O ATOM 325 CB TRP A 25 3.655 -1.168 -7.995 1.00 0.00 C ATOM 326 CG TRP A 25 4.251 -2.375 -8.721 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.686 -3.572 -8.933 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.558 -2.455 -9.328 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.529 -4.414 -9.628 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.704 -3.713 -9.877 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.582 -1.496 -9.411 1.00 0.00 C ATOM 332 CZ2 TRP A 25 6.861 -4.128 -10.546 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.733 -1.926 -10.083 1.00 0.00 C ATOM 334 CH2 TRP A 25 7.896 -3.189 -10.641 1.00 0.00 C ATOM 0 H TRP A 25 1.565 -1.576 -9.985 1.00 0.00 H new ATOM 0 HA TRP A 25 2.612 0.632 -8.302 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.466 -0.569 -7.581 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.058 -1.521 -7.154 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.695 -3.843 -8.601 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.328 -5.374 -9.908 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.489 -0.506 -8.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.951 -5.119 -10.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.552 -1.227 -10.174 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.816 -3.445 -11.145 1.00 0.00 H new ATOM 345 N ASP A 26 4.262 1.160 -10.130 1.00 0.00 N ATOM 346 CA ASP A 26 4.973 1.636 -11.304 1.00 0.00 C ATOM 347 C ASP A 26 6.398 2.028 -10.908 1.00 0.00 C ATOM 348 O ASP A 26 6.790 1.871 -9.753 1.00 0.00 O ATOM 349 CB ASP A 26 4.291 2.870 -11.898 1.00 0.00 C ATOM 350 CG ASP A 26 2.764 2.802 -11.952 1.00 0.00 C ATOM 351 OD1 ASP A 26 2.186 2.241 -10.995 1.00 0.00 O ATOM 352 OD2 ASP A 26 2.208 3.313 -12.948 1.00 0.00 O ATOM 0 H ASP A 26 4.433 1.698 -9.280 1.00 0.00 H new ATOM 0 HA ASP A 26 4.977 0.835 -12.043 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.580 3.743 -11.313 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.669 3.024 -12.909 1.00 0.00 H new ATOM 357 N GLN A 27 7.134 2.530 -11.889 1.00 0.00 N ATOM 358 CA GLN A 27 8.507 2.946 -11.657 1.00 0.00 C ATOM 359 C GLN A 27 8.990 3.841 -12.799 1.00 0.00 C ATOM 360 O GLN A 27 8.744 3.549 -13.969 1.00 0.00 O ATOM 361 CB GLN A 27 9.424 1.734 -11.484 1.00 0.00 C ATOM 362 CG GLN A 27 9.639 1.014 -12.816 1.00 0.00 C ATOM 363 CD GLN A 27 10.625 -0.146 -12.660 1.00 0.00 C ATOM 364 OE1 GLN A 27 11.787 0.033 -12.334 1.00 0.00 O ATOM 365 NE2 GLN A 27 10.099 -1.341 -12.911 1.00 0.00 N ATOM 0 H GLN A 27 6.805 2.658 -12.846 1.00 0.00 H new ATOM 0 HA GLN A 27 8.541 3.521 -10.732 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.385 2.055 -11.081 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.989 1.045 -10.760 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.686 0.638 -13.188 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.015 1.719 -13.558 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.118 -1.420 -13.179 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.676 -2.178 -12.835 1.00 0.00 H new ATOM 374 N SER A 28 9.670 4.913 -12.421 1.00 0.00 N ATOM 375 CA SER A 28 10.191 5.853 -13.399 1.00 0.00 C ATOM 376 C SER A 28 11.579 6.335 -12.975 1.00 0.00 C ATOM 377 O SER A 28 11.768 6.776 -11.842 1.00 0.00 O ATOM 378 CB SER A 28 9.246 7.044 -13.576 1.00 0.00 C ATOM 379 OG SER A 28 9.494 7.746 -14.791 1.00 0.00 O ATOM 0 H SER A 28 9.872 5.152 -11.450 1.00 0.00 H new ATOM 0 HA SER A 28 10.269 5.340 -14.358 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.214 6.693 -13.564 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.360 7.726 -12.733 1.00 0.00 H new ATOM 0 HG SER A 28 8.870 8.498 -14.868 1.00 0.00 H new ATOM 385 N ASP A 29 12.516 6.235 -13.907 1.00 0.00 N ATOM 386 CA ASP A 29 13.881 6.655 -13.643 1.00 0.00 C ATOM 387 C ASP A 29 13.864 7.966 -12.853 1.00 0.00 C ATOM 388 O ASP A 29 13.840 9.047 -13.439 1.00 0.00 O ATOM 389 CB ASP A 29 14.644 6.900 -14.947 1.00 0.00 C ATOM 390 CG ASP A 29 14.348 5.900 -16.066 1.00 0.00 C ATOM 391 OD1 ASP A 29 14.200 4.704 -15.734 1.00 0.00 O ATOM 392 OD2 ASP A 29 14.276 6.354 -17.229 1.00 0.00 O ATOM 0 H ASP A 29 12.356 5.869 -14.846 1.00 0.00 H new ATOM 0 HA ASP A 29 14.374 5.863 -13.079 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.410 7.903 -15.305 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.713 6.879 -14.735 1.00 0.00 H new ATOM 397 N LYS A 30 13.876 7.825 -11.536 1.00 0.00 N ATOM 398 CA LYS A 30 13.861 8.985 -10.660 1.00 0.00 C ATOM 399 C LYS A 30 13.379 8.562 -9.270 1.00 0.00 C ATOM 400 O LYS A 30 14.069 8.783 -8.276 1.00 0.00 O ATOM 401 CB LYS A 30 13.037 10.115 -11.280 1.00 0.00 C ATOM 402 CG LYS A 30 13.943 11.151 -11.948 1.00 0.00 C ATOM 403 CD LYS A 30 14.272 12.294 -10.986 1.00 0.00 C ATOM 404 CE LYS A 30 13.611 13.598 -11.437 1.00 0.00 C ATOM 405 NZ LYS A 30 14.637 14.597 -11.809 1.00 0.00 N ATOM 0 H LYS A 30 13.896 6.926 -11.054 1.00 0.00 H new ATOM 0 HA LYS A 30 14.868 9.386 -10.541 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.345 9.704 -12.015 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.435 10.596 -10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.865 10.673 -12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.453 11.549 -12.837 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.933 12.038 -9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.352 12.429 -10.932 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.957 13.406 -12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.985 13.992 -10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.172 15.476 -12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.245 14.793 -10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.217 14.225 -12.588 1.00 0.00 H new ATOM 419 N PHE A 31 12.198 7.963 -9.246 1.00 0.00 N ATOM 420 CA PHE A 31 11.616 7.508 -7.995 1.00 0.00 C ATOM 421 C PHE A 31 10.607 6.383 -8.237 1.00 0.00 C ATOM 422 O PHE A 31 10.197 6.146 -9.372 1.00 0.00 O ATOM 423 CB PHE A 31 10.890 8.705 -7.378 1.00 0.00 C ATOM 424 CG PHE A 31 11.748 9.967 -7.273 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.797 10.005 -6.408 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.463 11.050 -8.044 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.594 11.176 -6.310 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.259 12.221 -7.946 1.00 0.00 C ATOM 429 CZ PHE A 31 13.308 12.260 -7.081 1.00 0.00 C ATOM 0 H PHE A 31 11.628 7.782 -10.073 1.00 0.00 H new ATOM 0 HA PHE A 31 12.397 7.124 -7.339 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.006 8.928 -7.975 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.541 8.431 -6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 31 13.024 9.145 -5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.631 11.019 -8.731 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.427 11.206 -5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.032 13.081 -8.558 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.914 13.151 -7.006 1.00 0.00 H new ATOM 439 N VAL A 32 10.235 5.721 -7.151 1.00 0.00 N ATOM 440 CA VAL A 32 9.281 4.628 -7.231 1.00 0.00 C ATOM 441 C VAL A 32 7.979 5.041 -6.542 1.00 0.00 C ATOM 442 O VAL A 32 8.005 5.685 -5.494 1.00 0.00 O ATOM 443 CB VAL A 32 9.893 3.356 -6.641 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.834 2.264 -6.475 1.00 0.00 C ATOM 445 CG2 VAL A 32 11.062 2.862 -7.495 1.00 0.00 C ATOM 0 H VAL A 32 10.577 5.921 -6.211 1.00 0.00 H new ATOM 0 HA VAL A 32 9.041 4.405 -8.271 1.00 0.00 H new ATOM 0 HB VAL A 32 10.281 3.599 -5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.295 1.371 -6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.049 2.617 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.402 2.025 -7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.478 1.957 -7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.710 2.644 -8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.832 3.632 -7.538 1.00 0.00 H new ATOM 455 N LYS A 33 6.872 4.653 -7.158 1.00 0.00 N ATOM 456 CA LYS A 33 5.563 4.975 -6.616 1.00 0.00 C ATOM 457 C LYS A 33 4.600 3.821 -6.902 1.00 0.00 C ATOM 458 O LYS A 33 4.728 3.138 -7.917 1.00 0.00 O ATOM 459 CB LYS A 33 5.080 6.325 -7.149 1.00 0.00 C ATOM 460 CG LYS A 33 3.595 6.536 -6.845 1.00 0.00 C ATOM 461 CD LYS A 33 3.235 8.023 -6.874 1.00 0.00 C ATOM 462 CE LYS A 33 4.013 8.754 -7.970 1.00 0.00 C ATOM 463 NZ LYS A 33 3.223 9.890 -8.495 1.00 0.00 N ATOM 0 H LYS A 33 6.855 4.119 -8.027 1.00 0.00 H new ATOM 0 HA LYS A 33 5.616 5.086 -5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.664 7.128 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.245 6.375 -8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.991 5.998 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.358 6.120 -5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.165 8.138 -7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.454 8.473 -5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.961 9.116 -7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.250 8.063 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.765 10.376 -9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.329 9.537 -8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.019 10.557 -7.723 1.00 0.00 H new ATOM 477 N ILE A 34 3.657 3.639 -5.989 1.00 0.00 N ATOM 478 CA ILE A 34 2.673 2.579 -6.130 1.00 0.00 C ATOM 479 C ILE A 34 1.270 3.189 -6.132 1.00 0.00 C ATOM 480 O ILE A 34 1.036 4.218 -5.500 1.00 0.00 O ATOM 481 CB ILE A 34 2.878 1.511 -5.055 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.251 0.850 -5.193 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.743 0.485 -5.077 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.217 1.362 -4.123 1.00 0.00 C ATOM 0 H ILE A 34 3.554 4.208 -5.149 1.00 0.00 H new ATOM 0 HA ILE A 34 2.799 2.066 -7.083 1.00 0.00 H new ATOM 0 HB ILE A 34 2.852 1.999 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.148 -0.232 -5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.659 1.054 -6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.914 -0.263 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.794 0.988 -4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.712 -0.002 -6.052 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.185 0.876 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.337 2.440 -4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.818 1.135 -3.134 1.00 0.00 H new ATOM 496 N TYR A 35 0.373 2.529 -6.849 1.00 0.00 N ATOM 497 CA TYR A 35 -1.001 2.993 -6.941 1.00 0.00 C ATOM 498 C TYR A 35 -1.985 1.841 -6.727 1.00 0.00 C ATOM 499 O TYR A 35 -2.192 1.022 -7.622 1.00 0.00 O ATOM 500 CB TYR A 35 -1.169 3.534 -8.363 1.00 0.00 C ATOM 501 CG TYR A 35 0.042 4.313 -8.879 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.237 3.660 -9.107 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.060 5.668 -9.118 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.377 4.394 -9.593 1.00 0.00 C ATOM 505 CE2 TYR A 35 1.080 6.402 -9.604 1.00 0.00 C ATOM 506 CZ TYR A 35 2.242 5.728 -9.818 1.00 0.00 C ATOM 507 OH TYR A 35 3.319 6.421 -10.277 1.00 0.00 O ATOM 0 H TYR A 35 0.571 1.676 -7.372 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.203 3.747 -6.180 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.366 2.700 -9.037 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.045 4.182 -8.393 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.317 2.599 -8.921 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.995 6.179 -8.941 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.318 3.896 -9.775 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.014 7.463 -9.794 1.00 0.00 H new ATOM 0 HH TYR A 35 3.027 7.292 -10.617 1.00 0.00 H new ATOM 517 N ILE A 36 -2.565 1.814 -5.536 1.00 0.00 N ATOM 518 CA ILE A 36 -3.522 0.776 -5.193 1.00 0.00 C ATOM 519 C ILE A 36 -4.941 1.318 -5.371 1.00 0.00 C ATOM 520 O ILE A 36 -5.192 2.500 -5.141 1.00 0.00 O ATOM 521 CB ILE A 36 -3.242 0.232 -3.791 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.866 -0.434 -3.725 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.358 -0.711 -3.336 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.909 0.371 -2.843 1.00 0.00 C ATOM 0 H ILE A 36 -2.391 2.494 -4.796 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.419 -0.075 -5.866 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.226 1.072 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.966 -1.445 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.453 -0.523 -4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.134 -1.084 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.305 -0.172 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.430 -1.550 -4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.062 -0.124 -2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.792 1.374 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.314 0.437 -1.833 1.00 0.00 H new ATOM 536 N THR A 37 -5.834 0.428 -5.779 1.00 0.00 N ATOM 537 CA THR A 37 -7.222 0.802 -5.990 1.00 0.00 C ATOM 538 C THR A 37 -8.044 0.535 -4.728 1.00 0.00 C ATOM 539 O THR A 37 -8.410 -0.606 -4.451 1.00 0.00 O ATOM 540 CB THR A 37 -7.733 0.048 -7.219 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.090 0.694 -8.315 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.224 0.282 -7.472 1.00 0.00 C ATOM 0 H THR A 37 -5.623 -0.552 -5.969 1.00 0.00 H new ATOM 0 HA THR A 37 -7.319 1.870 -6.183 1.00 0.00 H new ATOM 0 HB THR A 37 -7.549 -1.019 -7.092 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.364 0.266 -9.153 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.535 -0.276 -8.355 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.797 -0.056 -6.609 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.403 1.345 -7.632 1.00 0.00 H new ATOM 550 N LEU A 38 -8.311 1.607 -3.997 1.00 0.00 N ATOM 551 CA LEU A 38 -9.083 1.502 -2.770 1.00 0.00 C ATOM 552 C LEU A 38 -10.120 2.627 -2.729 1.00 0.00 C ATOM 553 O LEU A 38 -9.779 3.781 -2.476 1.00 0.00 O ATOM 554 CB LEU A 38 -8.156 1.476 -1.554 1.00 0.00 C ATOM 555 CG LEU A 38 -8.404 0.351 -0.546 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.899 0.188 -0.263 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.764 -0.957 -1.016 1.00 0.00 C ATOM 0 H LEU A 38 -8.007 2.552 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.631 0.560 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.128 1.400 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.245 2.430 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.926 0.624 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.047 -0.618 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.295 1.117 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.421 -0.052 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.955 -1.740 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.192 -1.247 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.689 -0.817 -1.126 1.00 0.00 H new ATOM 569 N THR A 39 -11.365 2.250 -2.981 1.00 0.00 N ATOM 570 CA THR A 39 -12.454 3.213 -2.975 1.00 0.00 C ATOM 571 C THR A 39 -12.891 3.515 -1.540 1.00 0.00 C ATOM 572 O THR A 39 -13.569 2.705 -0.910 1.00 0.00 O ATOM 573 CB THR A 39 -13.580 2.657 -3.849 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.281 3.147 -5.154 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.938 3.280 -3.520 1.00 0.00 C ATOM 0 H THR A 39 -11.644 1.292 -3.191 1.00 0.00 H new ATOM 0 HA THR A 39 -12.140 4.169 -3.393 1.00 0.00 H new ATOM 0 HB THR A 39 -13.636 1.576 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.961 2.833 -5.785 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.702 2.851 -4.168 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.189 3.076 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.892 4.358 -3.678 1.00 0.00 H new ATOM 583 N GLY A 40 -12.485 4.684 -1.066 1.00 0.00 N ATOM 584 CA GLY A 40 -12.826 5.103 0.282 1.00 0.00 C ATOM 585 C GLY A 40 -11.588 5.598 1.033 1.00 0.00 C ATOM 586 O GLY A 40 -11.693 6.434 1.929 1.00 0.00 O ATOM 0 H GLY A 40 -11.923 5.354 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.573 5.896 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.275 4.270 0.823 1.00 0.00 H new ATOM 590 N VAL A 41 -10.443 5.059 0.639 1.00 0.00 N ATOM 591 CA VAL A 41 -9.186 5.435 1.263 1.00 0.00 C ATOM 592 C VAL A 41 -8.996 6.949 1.147 1.00 0.00 C ATOM 593 O VAL A 41 -8.193 7.535 1.871 1.00 0.00 O ATOM 594 CB VAL A 41 -8.035 4.639 0.643 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.729 5.130 -0.773 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.787 4.701 1.527 1.00 0.00 C ATOM 0 H VAL A 41 -10.360 4.365 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.199 5.189 2.325 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.346 3.597 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.907 4.548 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.613 5.010 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.448 6.183 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.984 4.127 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.473 5.739 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.014 4.281 2.507 1.00 0.00 H new ATOM 606 N HIS A 42 -9.748 7.539 0.229 1.00 0.00 N ATOM 607 CA HIS A 42 -9.673 8.973 0.009 1.00 0.00 C ATOM 608 C HIS A 42 -10.684 9.684 0.909 1.00 0.00 C ATOM 609 O HIS A 42 -10.714 10.913 0.966 1.00 0.00 O ATOM 610 CB HIS A 42 -9.861 9.305 -1.473 1.00 0.00 C ATOM 611 CG HIS A 42 -11.304 9.330 -1.918 1.00 0.00 C ATOM 612 ND1 HIS A 42 -12.027 8.180 -2.180 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.149 10.377 -2.144 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.251 8.530 -2.547 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.324 9.892 -2.525 1.00 0.00 N ATOM 0 H HIS A 42 -10.412 7.050 -0.371 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.681 9.335 0.280 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.412 10.277 -1.677 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.320 8.572 -2.071 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.903 11.423 -2.032 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -14.050 7.856 -2.816 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.147 10.446 -2.762 1.00 0.00 H new ATOM 623 N GLN A 43 -11.489 8.882 1.591 1.00 0.00 N ATOM 624 CA GLN A 43 -12.499 9.420 2.486 1.00 0.00 C ATOM 625 C GLN A 43 -12.037 9.302 3.940 1.00 0.00 C ATOM 626 O GLN A 43 -12.532 10.015 4.812 1.00 0.00 O ATOM 627 CB GLN A 43 -13.843 8.719 2.279 1.00 0.00 C ATOM 628 CG GLN A 43 -14.413 9.023 0.892 1.00 0.00 C ATOM 629 CD GLN A 43 -15.925 8.788 0.857 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.687 9.367 1.614 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.314 7.910 -0.063 1.00 0.00 N ATOM 0 H GLN A 43 -11.462 7.864 1.542 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.637 10.476 2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.718 7.643 2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.548 9.043 3.045 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.196 10.057 0.624 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.926 8.392 0.148 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.623 7.461 -0.664 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.303 7.685 -0.167 1.00 0.00 H new ATOM 640 N VAL A 44 -11.094 8.397 4.156 1.00 0.00 N ATOM 641 CA VAL A 44 -10.560 8.177 5.489 1.00 0.00 C ATOM 642 C VAL A 44 -9.491 9.231 5.786 1.00 0.00 C ATOM 643 O VAL A 44 -8.821 9.715 4.876 1.00 0.00 O ATOM 644 CB VAL A 44 -10.036 6.744 5.613 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.136 5.730 5.295 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.815 6.528 4.718 1.00 0.00 C ATOM 0 H VAL A 44 -10.686 7.808 3.430 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.344 8.289 6.238 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.725 6.588 6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.738 4.720 5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.964 5.861 5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.491 5.886 4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.462 5.502 4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.089 6.711 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.022 7.216 5.011 1.00 0.00 H new ATOM 656 N PRO A 45 -9.363 9.565 7.098 1.00 0.00 N ATOM 657 CA PRO A 45 -8.388 10.554 7.527 1.00 0.00 C ATOM 658 C PRO A 45 -6.972 9.974 7.500 1.00 0.00 C ATOM 659 O PRO A 45 -6.794 8.769 7.329 1.00 0.00 O ATOM 660 CB PRO A 45 -8.834 10.968 8.920 1.00 0.00 C ATOM 661 CG PRO A 45 -9.764 9.868 9.404 1.00 0.00 C ATOM 662 CD PRO A 45 -10.140 9.013 8.205 1.00 0.00 C ATOM 0 HA PRO A 45 -8.345 11.418 6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.979 11.078 9.587 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.346 11.930 8.896 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.274 9.262 10.166 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.656 10.296 9.862 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.897 7.964 8.375 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.210 9.064 8.002 1.00 0.00 H new ATOM 670 N THR A 46 -6.001 10.860 7.673 1.00 0.00 N ATOM 671 CA THR A 46 -4.607 10.451 7.670 1.00 0.00 C ATOM 672 C THR A 46 -4.273 9.686 8.952 1.00 0.00 C ATOM 673 O THR A 46 -3.190 9.116 9.075 1.00 0.00 O ATOM 674 CB THR A 46 -3.749 11.702 7.468 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.410 11.222 7.558 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.870 12.689 8.630 1.00 0.00 C ATOM 0 H THR A 46 -6.153 11.858 7.816 1.00 0.00 H new ATOM 0 HA THR A 46 -4.399 9.760 6.853 1.00 0.00 H new ATOM 0 HB THR A 46 -4.040 12.196 6.541 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.410 10.326 7.955 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.241 13.558 8.436 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.908 13.007 8.731 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.547 12.206 9.552 1.00 0.00 H new ATOM 684 N GLU A 47 -5.224 9.697 9.875 1.00 0.00 N ATOM 685 CA GLU A 47 -5.045 9.011 11.143 1.00 0.00 C ATOM 686 C GLU A 47 -5.305 7.513 10.977 1.00 0.00 C ATOM 687 O GLU A 47 -4.837 6.705 11.779 1.00 0.00 O ATOM 688 CB GLU A 47 -5.950 9.609 12.222 1.00 0.00 C ATOM 689 CG GLU A 47 -7.406 9.191 12.010 1.00 0.00 C ATOM 690 CD GLU A 47 -8.351 10.380 12.197 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.958 11.489 11.774 1.00 0.00 O ATOM 692 OE2 GLU A 47 -9.444 10.153 12.759 1.00 0.00 O ATOM 0 H GLU A 47 -6.121 10.171 9.769 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.013 9.147 11.465 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.614 9.282 13.206 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.874 10.696 12.204 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.528 8.779 11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.667 8.400 12.713 1.00 0.00 H new ATOM 699 N ASN A 48 -6.051 7.186 9.932 1.00 0.00 N ATOM 700 CA ASN A 48 -6.378 5.799 9.651 1.00 0.00 C ATOM 701 C ASN A 48 -5.369 5.233 8.650 1.00 0.00 C ATOM 702 O ASN A 48 -5.213 4.018 8.539 1.00 0.00 O ATOM 703 CB ASN A 48 -7.774 5.676 9.035 1.00 0.00 C ATOM 704 CG ASN A 48 -8.859 5.951 10.078 1.00 0.00 C ATOM 705 OD1 ASN A 48 -10.088 6.023 9.574 1.00 0.00 O flip ATOM 706 ND2 ASN A 48 -8.598 6.087 11.262 1.00 0.00 N flip ATOM 0 H ASN A 48 -6.438 7.858 9.270 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.348 5.249 10.592 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.874 6.378 8.207 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.906 4.676 8.622 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.632 6.020 11.582 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.346 6.268 11.932 1.00 0.00 H new ATOM 713 N VAL A 49 -4.709 6.142 7.946 1.00 0.00 N ATOM 714 CA VAL A 49 -3.719 5.749 6.958 1.00 0.00 C ATOM 715 C VAL A 49 -2.320 5.886 7.561 1.00 0.00 C ATOM 716 O VAL A 49 -1.770 6.985 7.619 1.00 0.00 O ATOM 717 CB VAL A 49 -3.902 6.568 5.679 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.840 6.206 4.639 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.311 6.390 5.110 1.00 0.00 C ATOM 0 H VAL A 49 -4.841 7.149 8.041 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.852 4.703 6.680 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.775 7.620 5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.993 6.803 3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.849 6.409 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.920 5.148 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.414 6.983 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.480 5.338 4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.045 6.722 5.845 1.00 0.00 H new ATOM 729 N GLN A 50 -1.784 4.756 7.996 1.00 0.00 N ATOM 730 CA GLN A 50 -0.459 4.736 8.593 1.00 0.00 C ATOM 731 C GLN A 50 0.514 3.964 7.701 1.00 0.00 C ATOM 732 O GLN A 50 0.386 2.751 7.541 1.00 0.00 O ATOM 733 CB GLN A 50 -0.502 4.142 10.002 1.00 0.00 C ATOM 734 CG GLN A 50 -0.705 5.235 11.053 1.00 0.00 C ATOM 735 CD GLN A 50 -0.207 4.776 12.425 1.00 0.00 C ATOM 736 OE1 GLN A 50 -0.439 3.659 12.857 1.00 0.00 O ATOM 737 NE2 GLN A 50 0.489 5.698 13.084 1.00 0.00 N ATOM 0 H GLN A 50 -2.243 3.847 7.947 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.105 5.763 8.678 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.310 3.414 10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.426 3.607 10.203 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.172 6.137 10.752 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.762 5.494 11.114 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.647 6.614 12.665 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.865 5.489 14.009 1.00 0.00 H new ATOM 746 N VAL A 51 1.465 4.698 7.143 1.00 0.00 N ATOM 747 CA VAL A 51 2.460 4.097 6.271 1.00 0.00 C ATOM 748 C VAL A 51 3.855 4.548 6.708 1.00 0.00 C ATOM 749 O VAL A 51 4.073 5.727 6.981 1.00 0.00 O ATOM 750 CB VAL A 51 2.151 4.438 4.812 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.508 5.821 4.697 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.411 4.345 3.949 1.00 0.00 C ATOM 0 H VAL A 51 1.568 5.704 7.278 1.00 0.00 H new ATOM 0 HA VAL A 51 2.431 3.010 6.350 1.00 0.00 H new ATOM 0 HB VAL A 51 1.436 3.704 4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.298 6.039 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.577 5.838 5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.189 6.573 5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.164 4.592 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.159 5.045 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.809 3.331 3.994 1.00 0.00 H new ATOM 762 N HIS A 52 4.764 3.585 6.762 1.00 0.00 N ATOM 763 CA HIS A 52 6.132 3.869 7.162 1.00 0.00 C ATOM 764 C HIS A 52 7.094 3.390 6.073 1.00 0.00 C ATOM 765 O HIS A 52 6.956 2.280 5.562 1.00 0.00 O ATOM 766 CB HIS A 52 6.435 3.259 8.531 1.00 0.00 C ATOM 767 CG HIS A 52 7.899 3.277 8.901 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.574 4.440 9.231 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.809 2.265 8.991 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.833 4.129 9.504 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.976 2.781 9.355 1.00 0.00 N ATOM 0 H HIS A 52 4.580 2.608 6.535 1.00 0.00 H new ATOM 0 HA HIS A 52 6.268 4.945 7.271 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.872 3.800 9.291 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.080 2.229 8.545 1.00 0.00 H new ATOM 0 HD1 HIS A 52 8.171 5.377 9.259 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.613 1.221 8.799 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.609 4.822 9.794 1.00 0.00 H new ATOM 779 N PHE A 53 8.048 4.251 5.750 1.00 0.00 N ATOM 780 CA PHE A 53 9.033 3.930 4.731 1.00 0.00 C ATOM 781 C PHE A 53 10.366 3.527 5.365 1.00 0.00 C ATOM 782 O PHE A 53 10.756 4.070 6.398 1.00 0.00 O ATOM 783 CB PHE A 53 9.241 5.195 3.896 1.00 0.00 C ATOM 784 CG PHE A 53 7.960 5.738 3.259 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.217 4.944 2.443 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.565 7.015 3.509 1.00 0.00 C ATOM 787 CE1 PHE A 53 6.028 5.447 1.852 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.377 7.519 2.918 1.00 0.00 C ATOM 789 CZ PHE A 53 5.633 6.725 2.102 1.00 0.00 C ATOM 0 H PHE A 53 8.160 5.171 6.176 1.00 0.00 H new ATOM 0 HA PHE A 53 8.682 3.095 4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.676 5.968 4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.965 4.983 3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.531 3.930 2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.155 7.646 4.157 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.438 4.816 1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.064 8.533 3.116 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.729 7.109 1.653 1.00 0.00 H new ATOM 799 N THR A 54 11.027 2.577 4.721 1.00 0.00 N ATOM 800 CA THR A 54 12.308 2.094 5.209 1.00 0.00 C ATOM 801 C THR A 54 13.361 2.164 4.101 1.00 0.00 C ATOM 802 O THR A 54 13.142 2.797 3.070 1.00 0.00 O ATOM 803 CB THR A 54 12.102 0.683 5.763 1.00 0.00 C ATOM 804 OG1 THR A 54 11.424 -0.006 4.716 1.00 0.00 O ATOM 805 CG2 THR A 54 11.113 0.651 6.931 1.00 0.00 C ATOM 0 H THR A 54 10.700 2.128 3.865 1.00 0.00 H new ATOM 0 HA THR A 54 12.687 2.723 6.015 1.00 0.00 H new ATOM 0 HB THR A 54 13.060 0.277 6.087 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.519 0.496 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.003 -0.373 7.287 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.486 1.278 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.145 1.025 6.598 1.00 0.00 H new ATOM 813 N GLU A 55 14.482 1.504 4.353 1.00 0.00 N ATOM 814 CA GLU A 55 15.570 1.484 3.390 1.00 0.00 C ATOM 815 C GLU A 55 15.221 0.569 2.214 1.00 0.00 C ATOM 816 O GLU A 55 15.485 0.907 1.061 1.00 0.00 O ATOM 817 CB GLU A 55 16.880 1.050 4.051 1.00 0.00 C ATOM 818 CG GLU A 55 17.207 -0.407 3.717 1.00 0.00 C ATOM 819 CD GLU A 55 18.447 -0.879 4.479 1.00 0.00 C ATOM 820 OE1 GLU A 55 18.294 -1.179 5.682 1.00 0.00 O ATOM 821 OE2 GLU A 55 19.520 -0.929 3.840 1.00 0.00 O ATOM 0 H GLU A 55 14.660 0.980 5.209 1.00 0.00 H new ATOM 0 HA GLU A 55 15.711 2.496 3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.692 1.695 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.804 1.171 5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.357 -1.041 3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.374 -0.509 2.645 1.00 0.00 H new ATOM 828 N ARG A 56 14.633 -0.570 2.546 1.00 0.00 N ATOM 829 CA ARG A 56 14.244 -1.536 1.532 1.00 0.00 C ATOM 830 C ARG A 56 12.902 -2.175 1.894 1.00 0.00 C ATOM 831 O ARG A 56 12.815 -3.391 2.059 1.00 0.00 O ATOM 832 CB ARG A 56 15.301 -2.633 1.383 1.00 0.00 C ATOM 833 CG ARG A 56 16.621 -2.056 0.868 1.00 0.00 C ATOM 834 CD ARG A 56 16.908 -2.532 -0.557 1.00 0.00 C ATOM 835 NE ARG A 56 17.865 -3.661 -0.531 1.00 0.00 N ATOM 836 CZ ARG A 56 18.121 -4.453 -1.581 1.00 0.00 C ATOM 837 NH1 ARG A 56 17.495 -4.243 -2.747 1.00 0.00 N ATOM 838 NH2 ARG A 56 19.004 -5.454 -1.466 1.00 0.00 N ATOM 0 H ARG A 56 14.416 -0.846 3.504 1.00 0.00 H new ATOM 0 HA ARG A 56 14.152 -1.004 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.463 -3.120 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.942 -3.398 0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.579 -0.967 0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.435 -2.357 1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.981 -2.842 -1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.316 -1.712 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 56 18.361 -3.848 0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.824 -3.480 -2.835 1.00 0.00 H new ATOM 0 HH12 ARG A 56 17.690 -4.846 -3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 56 19.482 -5.613 -0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.199 -6.057 -2.266 1.00 0.00 H new ATOM 852 N SER A 57 11.890 -1.328 2.006 1.00 0.00 N ATOM 853 CA SER A 57 10.557 -1.795 2.346 1.00 0.00 C ATOM 854 C SER A 57 9.652 -0.605 2.670 1.00 0.00 C ATOM 855 O SER A 57 10.126 0.524 2.794 1.00 0.00 O ATOM 856 CB SER A 57 10.598 -2.768 3.526 1.00 0.00 C ATOM 857 OG SER A 57 11.593 -2.408 4.480 1.00 0.00 O ATOM 0 H SER A 57 11.966 -0.320 1.867 1.00 0.00 H new ATOM 0 HA SER A 57 10.152 -2.327 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.622 -2.791 4.011 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.795 -3.775 3.159 1.00 0.00 H new ATOM 0 HG SER A 57 11.435 -1.491 4.787 1.00 0.00 H new ATOM 863 N PHE A 58 8.366 -0.897 2.798 1.00 0.00 N ATOM 864 CA PHE A 58 7.391 0.135 3.106 1.00 0.00 C ATOM 865 C PHE A 58 6.059 -0.481 3.540 1.00 0.00 C ATOM 866 O PHE A 58 5.510 -1.334 2.845 1.00 0.00 O ATOM 867 CB PHE A 58 7.173 0.941 1.824 1.00 0.00 C ATOM 868 CG PHE A 58 5.925 0.534 1.038 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.690 0.750 1.563 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.051 -0.044 -0.187 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.532 0.373 0.834 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.893 -0.422 -0.917 1.00 0.00 C ATOM 873 CZ PHE A 58 3.658 -0.205 -0.391 1.00 0.00 C ATOM 0 H PHE A 58 7.977 -1.834 2.694 1.00 0.00 H new ATOM 0 HA PHE A 58 7.755 0.759 3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.100 1.998 2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.047 0.828 1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.590 1.209 2.536 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.032 -0.215 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.551 0.545 1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.993 -0.881 -1.889 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.777 -0.492 -0.946 1.00 0.00 H new ATOM 883 N ASP A 59 5.578 -0.024 4.687 1.00 0.00 N ATOM 884 CA ASP A 59 4.321 -0.519 5.221 1.00 0.00 C ATOM 885 C ASP A 59 3.237 0.543 5.030 1.00 0.00 C ATOM 886 O ASP A 59 3.519 1.739 5.080 1.00 0.00 O ATOM 887 CB ASP A 59 4.437 -0.813 6.719 1.00 0.00 C ATOM 888 CG ASP A 59 5.121 0.282 7.541 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.341 0.464 7.340 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.407 0.911 8.352 1.00 0.00 O ATOM 0 H ASP A 59 6.036 0.684 5.261 1.00 0.00 H new ATOM 0 HA ASP A 59 4.068 -1.438 4.692 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.437 -0.977 7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.989 -1.743 6.850 1.00 0.00 H new ATOM 895 N LEU A 60 2.019 0.068 4.816 1.00 0.00 N ATOM 896 CA LEU A 60 0.891 0.962 4.617 1.00 0.00 C ATOM 897 C LEU A 60 -0.360 0.344 5.244 1.00 0.00 C ATOM 898 O LEU A 60 -0.828 -0.705 4.801 1.00 0.00 O ATOM 899 CB LEU A 60 0.732 1.302 3.134 1.00 0.00 C ATOM 900 CG LEU A 60 -0.248 2.430 2.805 1.00 0.00 C ATOM 901 CD1 LEU A 60 -1.013 2.133 1.514 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.190 2.697 3.981 1.00 0.00 C ATOM 0 H LEU A 60 1.788 -0.925 4.776 1.00 0.00 H new ATOM 0 HA LEU A 60 1.064 1.913 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.711 1.571 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.410 0.403 2.608 1.00 0.00 H new ATOM 0 HG LEU A 60 0.325 3.342 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.703 2.950 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.308 2.031 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.574 1.206 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.876 3.503 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.758 1.794 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.607 2.984 4.856 1.00 0.00 H new ATOM 914 N LEU A 61 -0.867 1.020 6.264 1.00 0.00 N ATOM 915 CA LEU A 61 -2.055 0.550 6.956 1.00 0.00 C ATOM 916 C LEU A 61 -3.228 1.481 6.637 1.00 0.00 C ATOM 917 O LEU A 61 -3.034 2.676 6.418 1.00 0.00 O ATOM 918 CB LEU A 61 -1.779 0.401 8.454 1.00 0.00 C ATOM 919 CG LEU A 61 -3.010 0.279 9.354 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.816 1.579 9.360 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.866 -0.924 8.952 1.00 0.00 C ATOM 0 H LEU A 61 -0.477 1.889 6.628 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.331 -0.444 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.156 -0.481 8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.197 1.262 8.783 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.670 0.106 10.375 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.685 1.465 10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.192 2.392 9.730 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.146 1.807 8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.735 -0.988 9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.198 -0.806 7.920 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.276 -1.836 9.041 1.00 0.00 H new ATOM 933 N VAL A 62 -4.417 0.898 6.621 1.00 0.00 N ATOM 934 CA VAL A 62 -5.620 1.660 6.333 1.00 0.00 C ATOM 935 C VAL A 62 -6.777 1.117 7.175 1.00 0.00 C ATOM 936 O VAL A 62 -7.325 0.058 6.875 1.00 0.00 O ATOM 937 CB VAL A 62 -5.910 1.631 4.831 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.209 2.373 4.508 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.737 2.207 4.035 1.00 0.00 C ATOM 0 H VAL A 62 -4.573 -0.093 6.803 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.483 2.707 6.605 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.037 0.590 4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.391 2.337 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.039 1.899 5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.124 3.412 4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.969 2.175 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.564 3.240 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.841 1.617 4.229 1.00 0.00 H new ATOM 949 N LYS A 63 -7.113 1.868 8.213 1.00 0.00 N ATOM 950 CA LYS A 63 -8.194 1.476 9.101 1.00 0.00 C ATOM 951 C LYS A 63 -9.468 2.229 8.710 1.00 0.00 C ATOM 952 O LYS A 63 -9.409 3.224 7.990 1.00 0.00 O ATOM 953 CB LYS A 63 -7.787 1.676 10.563 1.00 0.00 C ATOM 954 CG LYS A 63 -7.553 0.331 11.255 1.00 0.00 C ATOM 955 CD LYS A 63 -6.249 0.345 12.054 1.00 0.00 C ATOM 956 CE LYS A 63 -5.617 -1.048 12.098 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.481 -1.511 13.497 1.00 0.00 N ATOM 0 H LYS A 63 -6.656 2.746 8.459 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.406 0.412 8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.879 2.278 10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.565 2.229 11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.388 0.110 11.919 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.519 -0.464 10.510 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.551 1.051 11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.444 0.692 13.069 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.231 -1.750 11.534 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.638 -1.025 11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.051 -2.458 13.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.877 -0.849 14.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.420 -1.552 13.942 1.00 0.00 H new ATOM 971 N ASN A 64 -10.590 1.724 9.203 1.00 0.00 N ATOM 972 CA ASN A 64 -11.876 2.336 8.914 1.00 0.00 C ATOM 973 C ASN A 64 -11.907 2.780 7.450 1.00 0.00 C ATOM 974 O ASN A 64 -11.513 3.900 7.129 1.00 0.00 O ATOM 975 CB ASN A 64 -12.107 3.571 9.787 1.00 0.00 C ATOM 976 CG ASN A 64 -13.593 3.748 10.104 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.450 3.685 9.238 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.849 3.973 11.389 1.00 0.00 N ATOM 0 H ASN A 64 -10.635 0.898 9.800 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.653 1.600 9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.542 3.476 10.715 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.732 4.458 9.275 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.811 4.105 11.702 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.084 4.013 12.062 1.00 0.00 H new ATOM 985 N LEU A 65 -12.379 1.878 6.601 1.00 0.00 N ATOM 986 CA LEU A 65 -12.467 2.163 5.179 1.00 0.00 C ATOM 987 C LEU A 65 -13.926 2.060 4.732 1.00 0.00 C ATOM 988 O LEU A 65 -14.786 2.780 5.238 1.00 0.00 O ATOM 989 CB LEU A 65 -11.517 1.257 4.392 1.00 0.00 C ATOM 990 CG LEU A 65 -11.286 1.639 2.928 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.719 3.082 2.663 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.832 1.393 2.521 1.00 0.00 C ATOM 0 H LEU A 65 -12.704 0.950 6.871 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.142 3.183 4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.553 1.245 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.907 0.240 4.424 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.908 0.997 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.544 3.328 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.780 3.191 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.142 3.757 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.694 1.672 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.172 1.994 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.592 0.337 2.649 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.161 1.160 3.789 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.502 0.954 3.268 1.00 0.00 C ATOM 1006 C ASN A 66 -16.175 -0.182 4.040 1.00 0.00 C ATOM 1007 O ASN A 66 -16.257 -1.307 3.549 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.464 0.564 1.789 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.018 1.688 0.911 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -15.309 2.812 0.960 1.00 0.00 O flip ATOM 1011 ND2 ASN A 66 -17.023 1.544 0.234 1.00 0.00 N flip ATOM 0 H ASN A 66 -13.445 0.565 3.372 1.00 0.00 H new ATOM 0 HA ASN A 66 -16.055 1.887 3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.439 0.340 1.495 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -16.046 -0.344 1.634 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.520 0.653 0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.366 2.314 -0.340 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.640 0.151 5.235 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.303 -0.828 6.080 1.00 0.00 C ATOM 1020 C GLY A 67 -16.325 -1.912 6.535 1.00 0.00 C ATOM 1021 O GLY A 67 -16.740 -2.989 6.961 1.00 0.00 O ATOM 0 H GLY A 67 -16.571 1.085 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.732 -0.331 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.129 -1.284 5.535 1.00 0.00 H new ATOM 1025 N LYS A 68 -15.044 -1.591 6.430 1.00 0.00 N ATOM 1026 CA LYS A 68 -14.003 -2.524 6.826 1.00 0.00 C ATOM 1027 C LYS A 68 -12.657 -1.797 6.856 1.00 0.00 C ATOM 1028 O LYS A 68 -12.605 -0.574 6.739 1.00 0.00 O ATOM 1029 CB LYS A 68 -14.015 -3.757 5.920 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.594 -3.420 4.544 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.847 -4.168 3.437 1.00 0.00 C ATOM 1032 CE LYS A 68 -14.088 -5.675 3.535 1.00 0.00 C ATOM 1033 NZ LYS A 68 -15.001 -6.125 2.460 1.00 0.00 N ATOM 0 H LYS A 68 -14.703 -0.697 6.076 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.188 -2.895 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.001 -4.140 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.605 -4.548 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.651 -3.683 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.528 -2.346 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.176 -3.806 2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.779 -3.961 3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.139 -6.207 3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.514 -5.919 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.154 -7.150 2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.912 -5.631 2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.579 -5.910 1.534 1.00 0.00 H new ATOM 1047 N SER A 69 -11.600 -2.581 7.013 1.00 0.00 N ATOM 1048 CA SER A 69 -10.258 -2.027 7.060 1.00 0.00 C ATOM 1049 C SER A 69 -9.336 -2.808 6.121 1.00 0.00 C ATOM 1050 O SER A 69 -9.545 -3.998 5.888 1.00 0.00 O ATOM 1051 CB SER A 69 -9.703 -2.048 8.486 1.00 0.00 C ATOM 1052 OG SER A 69 -10.452 -1.211 9.362 1.00 0.00 O ATOM 0 H SER A 69 -11.646 -3.595 7.109 1.00 0.00 H new ATOM 0 HA SER A 69 -10.305 -0.989 6.732 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.713 -3.070 8.864 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.663 -1.723 8.475 1.00 0.00 H new ATOM 0 HG SER A 69 -10.068 -1.253 10.263 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.337 -2.107 5.606 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.383 -2.720 4.697 1.00 0.00 C ATOM 1060 C TYR A 70 -5.946 -2.465 5.157 1.00 0.00 C ATOM 1061 O TYR A 70 -5.655 -1.428 5.751 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.599 -2.045 3.341 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.969 -2.322 2.719 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -10.112 -1.841 3.325 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -9.061 -3.053 1.553 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.401 -2.102 2.739 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.351 -3.315 0.967 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.457 -2.826 1.589 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.675 -3.073 1.036 1.00 0.00 O ATOM 0 H TYR A 70 -8.167 -1.120 5.801 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.531 -3.799 4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.476 -0.968 3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.824 -2.381 2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -10.040 -1.269 4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.166 -3.429 1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.303 -1.731 3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.438 -3.887 0.055 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.562 -3.600 0.218 1.00 0.00 H new ATOM 1079 N SER A 71 -5.086 -3.430 4.866 1.00 0.00 N ATOM 1080 CA SER A 71 -3.686 -3.323 5.242 1.00 0.00 C ATOM 1081 C SER A 71 -2.796 -3.730 4.067 1.00 0.00 C ATOM 1082 O SER A 71 -3.121 -4.659 3.329 1.00 0.00 O ATOM 1083 CB SER A 71 -3.378 -4.188 6.466 1.00 0.00 C ATOM 1084 OG SER A 71 -3.790 -5.540 6.282 1.00 0.00 O ATOM 0 H SER A 71 -5.331 -4.289 4.374 1.00 0.00 H new ATOM 0 HA SER A 71 -3.480 -2.285 5.503 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.308 -4.160 6.670 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.880 -3.772 7.340 1.00 0.00 H new ATOM 0 HG SER A 71 -4.276 -5.621 5.435 1.00 0.00 H new ATOM 1090 N MET A 72 -1.690 -3.014 3.928 1.00 0.00 N ATOM 1091 CA MET A 72 -0.750 -3.289 2.854 1.00 0.00 C ATOM 1092 C MET A 72 0.684 -2.981 3.289 1.00 0.00 C ATOM 1093 O MET A 72 1.003 -1.842 3.628 1.00 0.00 O ATOM 1094 CB MET A 72 -1.107 -2.439 1.633 1.00 0.00 C ATOM 1095 CG MET A 72 0.030 -2.445 0.609 1.00 0.00 C ATOM 1096 SD MET A 72 -0.602 -2.029 -1.007 1.00 0.00 S ATOM 1097 CE MET A 72 0.002 -3.424 -1.944 1.00 0.00 C ATOM 0 H MET A 72 -1.423 -2.244 4.541 1.00 0.00 H new ATOM 0 HA MET A 72 -0.814 -4.348 2.602 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.018 -2.822 1.173 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.314 -1.416 1.946 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.799 -1.730 0.903 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.501 -3.427 0.582 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.496 -3.068 -2.848 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.713 -3.988 -1.340 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.834 -4.068 -2.217 1.00 0.00 H new ATOM 1107 N ILE A 73 1.511 -4.015 3.264 1.00 0.00 N ATOM 1108 CA ILE A 73 2.904 -3.870 3.651 1.00 0.00 C ATOM 1109 C ILE A 73 3.789 -4.598 2.638 1.00 0.00 C ATOM 1110 O ILE A 73 3.409 -5.644 2.114 1.00 0.00 O ATOM 1111 CB ILE A 73 3.111 -4.334 5.094 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.398 -3.404 6.077 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.599 -4.477 5.416 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.906 -3.620 7.504 1.00 0.00 C ATOM 0 H ILE A 73 1.243 -4.958 2.981 1.00 0.00 H new ATOM 0 HA ILE A 73 3.196 -2.820 3.634 1.00 0.00 H new ATOM 0 HB ILE A 73 2.662 -5.321 5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.559 -2.367 5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.324 -3.583 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.718 -4.808 6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.047 -5.210 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.094 -3.515 5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.383 -2.946 8.182 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.722 -4.652 7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.976 -3.416 7.544 1.00 0.00 H new ATOM 1126 N VAL A 74 4.954 -4.016 2.392 1.00 0.00 N ATOM 1127 CA VAL A 74 5.897 -4.597 1.451 1.00 0.00 C ATOM 1128 C VAL A 74 7.270 -4.713 2.116 1.00 0.00 C ATOM 1129 O VAL A 74 7.834 -3.714 2.562 1.00 0.00 O ATOM 1130 CB VAL A 74 5.925 -3.772 0.162 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.591 -3.056 -0.059 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.086 -2.776 0.174 1.00 0.00 C ATOM 0 H VAL A 74 5.266 -3.148 2.828 1.00 0.00 H new ATOM 0 HA VAL A 74 5.586 -5.603 1.171 1.00 0.00 H new ATOM 0 HB VAL A 74 6.080 -4.457 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.637 -2.477 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.791 -3.792 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.393 -2.388 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.083 -2.203 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.975 -2.098 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.028 -3.317 0.263 1.00 0.00 H new ATOM 1142 N ASN A 75 7.767 -5.940 2.163 1.00 0.00 N ATOM 1143 CA ASN A 75 9.063 -6.199 2.767 1.00 0.00 C ATOM 1144 C ASN A 75 10.011 -6.764 1.707 1.00 0.00 C ATOM 1145 O ASN A 75 9.647 -7.678 0.968 1.00 0.00 O ATOM 1146 CB ASN A 75 8.950 -7.225 3.896 1.00 0.00 C ATOM 1147 CG ASN A 75 8.501 -6.560 5.198 1.00 0.00 C ATOM 1148 OD1 ASN A 75 7.220 -6.203 5.210 1.00 0.00 O flip ATOM 1149 ND2 ASN A 75 9.266 -6.384 6.132 1.00 0.00 N flip ATOM 0 H ASN A 75 7.296 -6.766 1.793 1.00 0.00 H new ATOM 0 HA ASN A 75 9.440 -5.260 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.239 -8.002 3.616 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.913 -7.713 4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.239 -6.682 6.058 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.933 -5.939 6.987 1.00 0.00 H new ATOM 1156 N ASN A 76 11.208 -6.198 1.667 1.00 0.00 N ATOM 1157 CA ASN A 76 12.210 -6.635 0.710 1.00 0.00 C ATOM 1158 C ASN A 76 11.903 -6.023 -0.659 1.00 0.00 C ATOM 1159 O ASN A 76 11.163 -6.605 -1.450 1.00 0.00 O ATOM 1160 CB ASN A 76 12.203 -8.157 0.560 1.00 0.00 C ATOM 1161 CG ASN A 76 11.856 -8.837 1.886 1.00 0.00 C ATOM 1162 OD1 ASN A 76 11.850 -8.227 2.943 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.570 -10.131 1.772 1.00 0.00 N ATOM 0 H ASN A 76 11.507 -5.441 2.282 1.00 0.00 H new ATOM 0 HA ASN A 76 13.186 -6.314 1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.480 -8.448 -0.202 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.181 -8.497 0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.327 -10.674 2.600 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.594 -10.580 0.856 1.00 0.00 H new ATOM 1170 N LEU A 77 12.487 -4.858 -0.895 1.00 0.00 N ATOM 1171 CA LEU A 77 12.285 -4.162 -2.155 1.00 0.00 C ATOM 1172 C LEU A 77 13.482 -4.419 -3.073 1.00 0.00 C ATOM 1173 O LEU A 77 14.630 -4.296 -2.651 1.00 0.00 O ATOM 1174 CB LEU A 77 12.008 -2.677 -1.907 1.00 0.00 C ATOM 1175 CG LEU A 77 10.717 -2.353 -1.152 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.753 -0.929 -0.592 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.491 -2.591 -2.035 1.00 0.00 C ATOM 0 H LEU A 77 13.100 -4.378 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 77 11.403 -4.547 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.846 -2.259 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.980 -2.167 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 77 10.638 -3.032 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.824 -0.724 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.594 -0.829 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.867 -0.219 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.587 -2.353 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.549 -1.954 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.462 -3.636 -2.344 1.00 0.00 H new ATOM 1189 N LEU A 78 13.171 -4.772 -4.311 1.00 0.00 N ATOM 1190 CA LEU A 78 14.207 -5.048 -5.293 1.00 0.00 C ATOM 1191 C LEU A 78 15.371 -4.077 -5.086 1.00 0.00 C ATOM 1192 O LEU A 78 16.532 -4.483 -5.094 1.00 0.00 O ATOM 1193 CB LEU A 78 13.625 -5.019 -6.708 1.00 0.00 C ATOM 1194 CG LEU A 78 14.265 -5.977 -7.715 1.00 0.00 C ATOM 1195 CD1 LEU A 78 13.839 -7.421 -7.445 1.00 0.00 C ATOM 1196 CD2 LEU A 78 13.957 -5.547 -9.151 1.00 0.00 C ATOM 0 H LEU A 78 12.217 -4.873 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 78 14.603 -6.054 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.561 -5.245 -6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.713 -4.004 -7.095 1.00 0.00 H new ATOM 0 HG LEU A 78 15.347 -5.932 -7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.308 -8.081 -8.175 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.150 -7.710 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.755 -7.502 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.423 -6.244 -9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.878 -5.545 -9.307 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.350 -4.545 -9.323 1.00 0.00 H new ATOM 1208 N LYS A 79 15.020 -2.812 -4.906 1.00 0.00 N ATOM 1209 CA LYS A 79 16.021 -1.780 -4.698 1.00 0.00 C ATOM 1210 C LYS A 79 15.680 -0.993 -3.431 1.00 0.00 C ATOM 1211 O LYS A 79 14.540 -1.014 -2.971 1.00 0.00 O ATOM 1212 CB LYS A 79 16.157 -0.906 -5.946 1.00 0.00 C ATOM 1213 CG LYS A 79 16.314 -1.765 -7.203 1.00 0.00 C ATOM 1214 CD LYS A 79 17.779 -1.834 -7.639 1.00 0.00 C ATOM 1215 CE LYS A 79 18.042 -3.086 -8.478 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.362 -3.667 -8.142 1.00 0.00 N ATOM 0 H LYS A 79 14.056 -2.479 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 79 17.003 -2.228 -4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.279 -0.268 -6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.019 -0.248 -5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.940 -2.771 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.710 -1.350 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.033 -0.945 -8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.424 -1.838 -6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.258 -3.822 -8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.008 -2.835 -9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.525 -4.516 -8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.108 -2.968 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.381 -3.925 -7.135 1.00 0.00 H new ATOM 1230 N PRO A 80 16.717 -0.301 -2.888 1.00 0.00 N ATOM 1231 CA PRO A 80 16.540 0.490 -1.682 1.00 0.00 C ATOM 1232 C PRO A 80 15.787 1.788 -1.985 1.00 0.00 C ATOM 1233 O PRO A 80 15.658 2.179 -3.144 1.00 0.00 O ATOM 1234 CB PRO A 80 17.946 0.728 -1.157 1.00 0.00 C ATOM 1235 CG PRO A 80 18.879 0.463 -2.327 1.00 0.00 C ATOM 1236 CD PRO A 80 18.082 -0.254 -3.405 1.00 0.00 C ATOM 0 HA PRO A 80 15.930 -0.015 -0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.059 1.749 -0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.169 0.064 -0.322 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.285 1.399 -2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.726 -0.146 -2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.128 0.281 -4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.472 -1.256 -3.585 1.00 0.00 H new ATOM 1244 N ILE A 81 15.309 2.419 -0.922 1.00 0.00 N ATOM 1245 CA ILE A 81 14.573 3.664 -1.059 1.00 0.00 C ATOM 1246 C ILE A 81 14.829 4.540 0.168 1.00 0.00 C ATOM 1247 O ILE A 81 14.894 4.040 1.290 1.00 0.00 O ATOM 1248 CB ILE A 81 13.091 3.384 -1.317 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.527 2.415 -0.276 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.867 2.884 -2.745 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.531 3.120 0.648 1.00 0.00 C ATOM 0 H ILE A 81 15.417 2.091 0.038 1.00 0.00 H new ATOM 0 HA ILE A 81 14.924 4.221 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 81 12.544 4.321 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.035 1.582 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.342 1.995 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.805 2.693 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.208 3.640 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.428 1.963 -2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.146 2.408 1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.032 3.937 1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.705 3.517 0.058 1.00 0.00 H new ATOM 1263 N SER A 82 14.967 5.833 -0.086 1.00 0.00 N ATOM 1264 CA SER A 82 15.214 6.784 0.984 1.00 0.00 C ATOM 1265 C SER A 82 13.953 6.958 1.832 1.00 0.00 C ATOM 1266 O SER A 82 12.847 7.030 1.298 1.00 0.00 O ATOM 1267 CB SER A 82 15.669 8.135 0.427 1.00 0.00 C ATOM 1268 OG SER A 82 16.832 8.622 1.091 1.00 0.00 O ATOM 0 H SER A 82 14.912 6.244 -1.018 1.00 0.00 H new ATOM 0 HA SER A 82 16.015 6.391 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.874 8.037 -0.639 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.862 8.860 0.531 1.00 0.00 H new ATOM 0 HG SER A 82 17.091 9.485 0.706 1.00 0.00 H new ATOM 1274 N VAL A 83 14.160 7.021 3.139 1.00 0.00 N ATOM 1275 CA VAL A 83 13.053 7.185 4.066 1.00 0.00 C ATOM 1276 C VAL A 83 12.704 8.671 4.179 1.00 0.00 C ATOM 1277 O VAL A 83 11.639 9.097 3.736 1.00 0.00 O ATOM 1278 CB VAL A 83 13.400 6.548 5.413 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.376 6.935 6.482 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.514 5.028 5.288 1.00 0.00 C ATOM 0 H VAL A 83 15.079 6.961 3.578 1.00 0.00 H new ATOM 0 HA VAL A 83 12.166 6.670 3.697 1.00 0.00 H new ATOM 0 HB VAL A 83 14.371 6.932 5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.646 6.469 7.430 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.365 8.019 6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.386 6.593 6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.761 4.601 6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.564 4.619 4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.298 4.780 4.572 1.00 0.00 H new ATOM 1290 N GLU A 84 13.622 9.418 4.774 1.00 0.00 N ATOM 1291 CA GLU A 84 13.425 10.846 4.951 1.00 0.00 C ATOM 1292 C GLU A 84 13.007 11.492 3.628 1.00 0.00 C ATOM 1293 O GLU A 84 12.408 12.567 3.620 1.00 0.00 O ATOM 1294 CB GLU A 84 14.685 11.509 5.511 1.00 0.00 C ATOM 1295 CG GLU A 84 14.961 11.042 6.941 1.00 0.00 C ATOM 1296 CD GLU A 84 16.065 11.880 7.589 1.00 0.00 C ATOM 1297 OE1 GLU A 84 15.940 13.123 7.534 1.00 0.00 O ATOM 1298 OE2 GLU A 84 17.010 11.260 8.123 1.00 0.00 O ATOM 0 H GLU A 84 14.505 9.061 5.140 1.00 0.00 H new ATOM 0 HA GLU A 84 12.624 10.995 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.538 11.271 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.568 12.593 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.049 11.115 7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.253 9.992 6.934 1.00 0.00 H new ATOM 1305 N GLY A 85 13.340 10.810 2.543 1.00 0.00 N ATOM 1306 CA GLY A 85 13.006 11.304 1.217 1.00 0.00 C ATOM 1307 C GLY A 85 11.668 10.735 0.741 1.00 0.00 C ATOM 1308 O GLY A 85 10.957 11.377 -0.031 1.00 0.00 O ATOM 0 H GLY A 85 13.837 9.920 2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.957 12.393 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.793 11.030 0.514 1.00 0.00 H new ATOM 1312 N SER A 86 11.365 9.538 1.221 1.00 0.00 N ATOM 1313 CA SER A 86 10.125 8.876 0.854 1.00 0.00 C ATOM 1314 C SER A 86 8.930 9.715 1.309 1.00 0.00 C ATOM 1315 O SER A 86 9.074 10.605 2.146 1.00 0.00 O ATOM 1316 CB SER A 86 10.050 7.473 1.458 1.00 0.00 C ATOM 1317 OG SER A 86 10.630 6.492 0.603 1.00 0.00 O ATOM 0 H SER A 86 11.957 9.009 1.861 1.00 0.00 H new ATOM 0 HA SER A 86 10.098 8.776 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.563 7.464 2.420 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.008 7.216 1.650 1.00 0.00 H new ATOM 0 HG SER A 86 11.594 6.651 0.529 1.00 0.00 H new ATOM 1323 N SER A 87 7.776 9.402 0.739 1.00 0.00 N ATOM 1324 CA SER A 87 6.556 10.116 1.076 1.00 0.00 C ATOM 1325 C SER A 87 5.336 9.257 0.737 1.00 0.00 C ATOM 1326 O SER A 87 5.430 8.326 -0.062 1.00 0.00 O ATOM 1327 CB SER A 87 6.482 11.456 0.343 1.00 0.00 C ATOM 1328 OG SER A 87 7.759 12.080 0.240 1.00 0.00 O ATOM 0 H SER A 87 7.660 8.663 0.046 1.00 0.00 H new ATOM 0 HA SER A 87 6.563 10.319 2.147 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.073 11.301 -0.655 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.796 12.120 0.869 1.00 0.00 H new ATOM 0 HG SER A 87 7.669 12.932 -0.236 1.00 0.00 H new ATOM 1334 N LYS A 88 4.219 9.600 1.361 1.00 0.00 N ATOM 1335 CA LYS A 88 2.982 8.872 1.135 1.00 0.00 C ATOM 1336 C LYS A 88 1.905 9.843 0.646 1.00 0.00 C ATOM 1337 O LYS A 88 1.815 10.970 1.129 1.00 0.00 O ATOM 1338 CB LYS A 88 2.582 8.092 2.390 1.00 0.00 C ATOM 1339 CG LYS A 88 1.592 8.891 3.239 1.00 0.00 C ATOM 1340 CD LYS A 88 0.195 8.874 2.615 1.00 0.00 C ATOM 1341 CE LYS A 88 -0.789 8.102 3.496 1.00 0.00 C ATOM 1342 NZ LYS A 88 -1.806 9.017 4.061 1.00 0.00 N ATOM 0 H LYS A 88 4.145 10.372 2.023 1.00 0.00 H new ATOM 0 HA LYS A 88 3.118 8.125 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.135 7.140 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.470 7.863 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.550 8.473 4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.938 9.920 3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.158 9.896 2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.240 8.417 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.277 7.323 2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.251 7.604 4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.924 8.821 5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.497 10.002 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.713 8.873 3.572 1.00 0.00 H new ATOM 1356 N LYS A 89 1.116 9.370 -0.308 1.00 0.00 N ATOM 1357 CA LYS A 89 0.050 10.182 -0.868 1.00 0.00 C ATOM 1358 C LYS A 89 -1.202 9.320 -1.046 1.00 0.00 C ATOM 1359 O LYS A 89 -1.112 8.096 -1.119 1.00 0.00 O ATOM 1360 CB LYS A 89 0.516 10.864 -2.156 1.00 0.00 C ATOM 1361 CG LYS A 89 1.127 12.235 -1.861 1.00 0.00 C ATOM 1362 CD LYS A 89 0.500 13.316 -2.743 1.00 0.00 C ATOM 1363 CE LYS A 89 0.885 13.118 -4.211 1.00 0.00 C ATOM 1364 NZ LYS A 89 -0.026 13.881 -5.093 1.00 0.00 N ATOM 0 H LYS A 89 1.194 8.435 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.213 10.989 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.251 10.235 -2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.327 10.977 -2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.977 12.485 -0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.203 12.202 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.585 13.289 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.828 14.300 -2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.913 13.444 -4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.843 12.059 -4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.249 13.736 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.002 13.551 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.034 14.893 -4.862 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.341 9.994 -1.112 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.609 9.306 -1.280 1.00 0.00 C ATOM 1380 C VAL A 90 -4.433 10.019 -2.354 1.00 0.00 C ATOM 1381 O VAL A 90 -4.630 11.231 -2.288 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.335 9.209 0.064 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.701 8.540 -0.098 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.480 8.470 1.096 1.00 0.00 C ATOM 0 H VAL A 90 -2.412 11.010 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.446 8.283 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.501 10.222 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.196 8.484 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.313 9.125 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.569 7.534 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.018 8.415 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.269 7.462 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.543 9.006 1.243 1.00 0.00 H new ATOM 1394 N LYS A 91 -4.892 9.235 -3.319 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.690 9.777 -4.406 1.00 0.00 C ATOM 1396 C LYS A 91 -7.144 9.330 -4.237 1.00 0.00 C ATOM 1397 O LYS A 91 -7.468 8.599 -3.303 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.083 9.396 -5.758 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.101 8.232 -5.609 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.561 7.793 -6.972 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.698 8.889 -7.599 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.351 9.433 -8.811 1.00 0.00 N ATOM 0 H LYS A 91 -4.727 8.230 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.685 10.867 -4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.877 9.120 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.570 10.257 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.274 8.530 -4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.598 7.392 -5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.973 6.883 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.391 7.554 -7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.534 9.689 -6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.718 8.486 -7.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.752 10.176 -9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.485 8.670 -9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.275 9.836 -8.556 1.00 0.00 H new ATOM 1416 N THR A 92 -7.981 9.790 -5.155 1.00 0.00 N ATOM 1417 CA THR A 92 -9.393 9.447 -5.120 1.00 0.00 C ATOM 1418 C THR A 92 -9.580 7.940 -5.305 1.00 0.00 C ATOM 1419 O THR A 92 -9.206 7.386 -6.338 1.00 0.00 O ATOM 1420 CB THR A 92 -10.110 10.284 -6.181 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.852 11.631 -5.794 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.632 10.157 -6.098 1.00 0.00 C ATOM 0 H THR A 92 -7.709 10.397 -5.928 1.00 0.00 H new ATOM 0 HA THR A 92 -9.833 9.681 -4.150 1.00 0.00 H new ATOM 0 HB THR A 92 -9.774 9.978 -7.172 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.280 12.242 -6.430 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.091 10.771 -6.873 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.919 9.115 -6.243 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.972 10.494 -5.119 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.161 7.319 -4.289 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.403 5.887 -4.326 1.00 0.00 C ATOM 1432 C ASP A 93 -9.102 5.163 -4.681 1.00 0.00 C ATOM 1433 O ASP A 93 -9.129 4.077 -5.258 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.445 5.532 -5.389 1.00 0.00 C ATOM 1435 CG ASP A 93 -12.899 5.759 -4.969 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -13.100 6.114 -3.788 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -13.776 5.573 -5.840 1.00 0.00 O ATOM 0 H ASP A 93 -10.471 7.782 -3.435 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.768 5.582 -3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.245 6.121 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.321 4.484 -5.663 1.00 0.00 H new ATOM 1442 N THR A 94 -7.994 5.794 -4.320 1.00 0.00 N ATOM 1443 CA THR A 94 -6.685 5.224 -4.592 1.00 0.00 C ATOM 1444 C THR A 94 -5.655 5.754 -3.594 1.00 0.00 C ATOM 1445 O THR A 94 -5.727 6.908 -3.175 1.00 0.00 O ATOM 1446 CB THR A 94 -6.332 5.528 -6.050 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.249 4.739 -6.802 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.958 4.981 -6.445 1.00 0.00 C ATOM 0 H THR A 94 -7.976 6.695 -3.841 1.00 0.00 H new ATOM 0 HA THR A 94 -6.689 4.142 -4.462 1.00 0.00 H new ATOM 0 HB THR A 94 -6.355 6.606 -6.212 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.769 4.173 -6.194 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.756 5.223 -7.488 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.192 5.431 -5.813 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.946 3.899 -6.315 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.719 4.885 -3.241 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.674 5.250 -2.300 1.00 0.00 C ATOM 1458 C VAL A 95 -2.324 5.254 -3.019 1.00 0.00 C ATOM 1459 O VAL A 95 -1.981 4.295 -3.709 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.706 4.311 -1.092 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.557 2.852 -1.528 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.630 4.692 -0.073 1.00 0.00 C ATOM 0 H VAL A 95 -4.663 3.928 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.840 6.257 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.677 4.419 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.583 2.206 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.375 2.587 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.607 2.722 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.674 4.009 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.647 4.627 -0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.801 5.712 0.272 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.593 6.344 -2.832 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.288 6.485 -3.455 1.00 0.00 C ATOM 1474 C LEU A 96 0.800 6.191 -2.420 1.00 0.00 C ATOM 1475 O LEU A 96 0.624 6.464 -1.234 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.154 7.860 -4.113 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.285 7.889 -5.638 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.217 9.218 -6.206 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.424 6.690 -6.272 1.00 0.00 C ATOM 0 H LEU A 96 -1.880 7.137 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.169 5.759 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.913 8.519 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.816 8.277 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.342 7.809 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.113 9.212 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.370 10.037 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.266 9.353 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.316 6.735 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.482 6.714 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.020 5.767 -5.901 1.00 0.00 H new ATOM 1491 N ILE A 97 1.901 5.637 -2.907 1.00 0.00 N ATOM 1492 CA ILE A 97 3.017 5.303 -2.040 1.00 0.00 C ATOM 1493 C ILE A 97 4.326 5.712 -2.719 1.00 0.00 C ATOM 1494 O ILE A 97 4.921 4.924 -3.453 1.00 0.00 O ATOM 1495 CB ILE A 97 2.965 3.826 -1.645 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.579 3.448 -1.119 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.071 3.487 -0.643 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.314 4.092 0.243 1.00 0.00 C ATOM 0 H ILE A 97 2.043 5.411 -3.891 1.00 0.00 H new ATOM 0 HA ILE A 97 2.954 5.862 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 97 3.145 3.227 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.817 3.767 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.502 2.364 -1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.011 2.431 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.043 3.695 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.947 4.093 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.322 3.807 0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.063 3.752 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.368 5.177 0.149 1.00 0.00 H new ATOM 1510 N LEU A 98 4.736 6.943 -2.449 1.00 0.00 N ATOM 1511 CA LEU A 98 5.963 7.466 -3.026 1.00 0.00 C ATOM 1512 C LEU A 98 7.162 6.878 -2.279 1.00 0.00 C ATOM 1513 O LEU A 98 7.294 7.058 -1.069 1.00 0.00 O ATOM 1514 CB LEU A 98 5.938 8.995 -3.042 1.00 0.00 C ATOM 1515 CG LEU A 98 4.838 9.639 -3.888 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.335 10.932 -3.243 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.312 9.863 -5.326 1.00 0.00 C ATOM 0 H LEU A 98 4.241 7.593 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 98 6.055 7.161 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.833 9.348 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.903 9.351 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 98 3.994 8.951 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.554 11.369 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.931 10.712 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.161 11.637 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.511 10.322 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.181 10.521 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.582 8.906 -5.773 1.00 0.00 H new ATOM 1529 N CYS A 99 8.007 6.188 -3.031 1.00 0.00 N ATOM 1530 CA CYS A 99 9.191 5.573 -2.456 1.00 0.00 C ATOM 1531 C CYS A 99 10.422 6.156 -3.153 1.00 0.00 C ATOM 1532 O CYS A 99 10.667 5.873 -4.325 1.00 0.00 O ATOM 1533 CB CYS A 99 9.144 4.048 -2.560 1.00 0.00 C ATOM 1534 SG CYS A 99 8.031 3.366 -1.277 1.00 0.00 S ATOM 0 H CYS A 99 7.895 6.041 -4.034 1.00 0.00 H new ATOM 0 HA CYS A 99 9.239 5.797 -1.390 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.795 3.754 -3.550 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.146 3.636 -2.440 1.00 0.00 H new ATOM 0 HG CYS A 99 7.997 2.070 -1.376 1.00 0.00 H new ATOM 1540 N ARG A 100 11.163 6.958 -2.404 1.00 0.00 N ATOM 1541 CA ARG A 100 12.363 7.582 -2.936 1.00 0.00 C ATOM 1542 C ARG A 100 13.342 6.516 -3.430 1.00 0.00 C ATOM 1543 O ARG A 100 13.395 5.415 -2.883 1.00 0.00 O ATOM 1544 CB ARG A 100 13.051 8.444 -1.876 1.00 0.00 C ATOM 1545 CG ARG A 100 12.592 9.901 -1.970 1.00 0.00 C ATOM 1546 CD ARG A 100 12.705 10.419 -3.405 1.00 0.00 C ATOM 1547 NE ARG A 100 11.381 10.377 -4.065 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.379 11.225 -3.794 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.545 12.186 -2.876 1.00 0.00 N ATOM 1550 NH2 ARG A 100 9.212 11.111 -4.442 1.00 0.00 N ATOM 0 H ARG A 100 10.956 7.191 -1.433 1.00 0.00 H new ATOM 0 HA ARG A 100 12.064 8.219 -3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.828 8.052 -0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.132 8.391 -2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.560 9.984 -1.630 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.197 10.520 -1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.087 11.440 -3.403 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.418 9.813 -3.964 1.00 0.00 H new ATOM 0 HE ARG A 100 11.221 9.658 -4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.434 12.272 -2.383 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.783 12.831 -2.670 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.086 10.379 -5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.449 11.756 -4.236 1.00 0.00 H new ATOM 1564 N LYS A 101 14.092 6.879 -4.460 1.00 0.00 N ATOM 1565 CA LYS A 101 15.066 5.966 -5.035 1.00 0.00 C ATOM 1566 C LYS A 101 16.455 6.299 -4.487 1.00 0.00 C ATOM 1567 O LYS A 101 16.830 7.468 -4.402 1.00 0.00 O ATOM 1568 CB LYS A 101 14.986 5.990 -6.563 1.00 0.00 C ATOM 1569 CG LYS A 101 14.181 4.800 -7.088 1.00 0.00 C ATOM 1570 CD LYS A 101 14.457 4.564 -8.574 1.00 0.00 C ATOM 1571 CE LYS A 101 14.278 3.088 -8.937 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.836 2.951 -10.343 1.00 0.00 N ATOM 0 H LYS A 101 14.045 7.793 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 101 14.845 4.939 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.523 6.920 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.991 5.968 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.436 3.905 -6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.117 4.981 -6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.782 5.174 -9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.472 4.881 -8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.217 2.555 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.545 2.630 -8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.050 2.272 -10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.519 3.875 -10.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.628 2.609 -10.924 1.00 0.00 H new ATOM 1585 N LYS A 102 17.182 5.251 -4.128 1.00 0.00 N ATOM 1586 CA LYS A 102 18.521 5.417 -3.590 1.00 0.00 C ATOM 1587 C LYS A 102 19.486 5.752 -4.730 1.00 0.00 C ATOM 1588 O LYS A 102 20.539 6.345 -4.502 1.00 0.00 O ATOM 1589 CB LYS A 102 18.930 4.185 -2.781 1.00 0.00 C ATOM 1590 CG LYS A 102 20.124 4.495 -1.875 1.00 0.00 C ATOM 1591 CD LYS A 102 20.294 3.417 -0.803 1.00 0.00 C ATOM 1592 CE LYS A 102 21.770 3.213 -0.459 1.00 0.00 C ATOM 1593 NZ LYS A 102 21.923 2.160 0.570 1.00 0.00 N ATOM 0 H LYS A 102 16.868 4.283 -4.199 1.00 0.00 H new ATOM 0 HA LYS A 102 18.550 6.253 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 102 18.088 3.847 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.185 3.369 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 102 21.032 4.563 -2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.982 5.466 -1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.744 3.701 0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.866 2.478 -1.155 1.00 0.00 H new ATOM 0 HE2 LYS A 102 22.323 2.936 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.197 4.148 -0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.931 2.035 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 21.412 2.439 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.534 1.265 0.211 1.00 0.00 H new ATOM 1607 N VAL A 103 19.091 5.357 -5.932 1.00 0.00 N ATOM 1608 CA VAL A 103 19.908 5.608 -7.107 1.00 0.00 C ATOM 1609 C VAL A 103 19.005 5.707 -8.338 1.00 0.00 C ATOM 1610 O VAL A 103 18.315 4.749 -8.685 1.00 0.00 O ATOM 1611 CB VAL A 103 20.982 4.527 -7.239 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.658 3.322 -6.353 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.157 4.103 -8.698 1.00 0.00 C ATOM 0 H VAL A 103 18.217 4.865 -6.117 1.00 0.00 H new ATOM 0 HA VAL A 103 20.433 6.558 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 103 21.927 4.950 -6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.437 2.568 -6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.608 3.639 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.698 2.899 -6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 103 21.926 3.334 -8.764 1.00 0.00 H new ATOM 0 HG22 VAL A 103 20.215 3.707 -9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.455 4.965 -9.294 1.00 0.00 H new ATOM 1623 N GLU A 104 19.038 6.874 -8.965 1.00 0.00 N ATOM 1624 CA GLU A 104 18.231 7.110 -10.150 1.00 0.00 C ATOM 1625 C GLU A 104 18.667 6.179 -11.283 1.00 0.00 C ATOM 1626 O GLU A 104 19.671 5.478 -11.164 1.00 0.00 O ATOM 1627 CB GLU A 104 18.309 8.575 -10.583 1.00 0.00 C ATOM 1628 CG GLU A 104 17.929 9.508 -9.432 1.00 0.00 C ATOM 1629 CD GLU A 104 19.175 10.041 -8.723 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.787 10.979 -9.279 1.00 0.00 O ATOM 1631 OE2 GLU A 104 19.489 9.498 -7.642 1.00 0.00 O ATOM 0 H GLU A 104 19.611 7.666 -8.675 1.00 0.00 H new ATOM 0 HA GLU A 104 17.191 6.892 -9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.319 8.804 -10.923 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.642 8.744 -11.428 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.340 10.341 -9.814 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.301 8.974 -8.719 1.00 0.00 H new ATOM 1638 N ASN A 105 17.892 6.203 -12.357 1.00 0.00 N ATOM 1639 CA ASN A 105 18.185 5.370 -13.511 1.00 0.00 C ATOM 1640 C ASN A 105 18.358 3.919 -13.056 1.00 0.00 C ATOM 1641 O ASN A 105 19.423 3.331 -13.238 1.00 0.00 O ATOM 1642 CB ASN A 105 19.483 5.810 -14.192 1.00 0.00 C ATOM 1643 CG ASN A 105 19.456 5.481 -15.686 1.00 0.00 C ATOM 1644 OD1 ASN A 105 19.431 4.332 -16.095 1.00 0.00 O ATOM 1645 ND2 ASN A 105 19.464 6.552 -16.476 1.00 0.00 N ATOM 0 H ASN A 105 17.061 6.787 -12.453 1.00 0.00 H new ATOM 0 HA ASN A 105 17.358 5.465 -14.215 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.625 6.882 -14.054 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.331 5.313 -13.722 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.449 6.438 -17.490 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.485 7.487 -16.068 1.00 0.00 H new ATOM 1652 N THR A 106 17.295 3.384 -12.475 1.00 0.00 N ATOM 1653 CA THR A 106 17.316 2.014 -11.993 1.00 0.00 C ATOM 1654 C THR A 106 16.072 1.261 -12.470 1.00 0.00 C ATOM 1655 O THR A 106 14.997 1.847 -12.592 1.00 0.00 O ATOM 1656 CB THR A 106 17.457 2.050 -10.470 1.00 0.00 C ATOM 1657 OG1 THR A 106 18.837 2.335 -10.256 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.258 0.674 -9.830 1.00 0.00 C ATOM 0 H THR A 106 16.413 3.875 -12.327 1.00 0.00 H new ATOM 0 HA THR A 106 18.166 1.465 -12.400 1.00 0.00 H new ATOM 0 HB THR A 106 16.733 2.751 -10.055 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.168 1.802 -9.503 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.369 0.756 -8.749 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.260 0.304 -10.066 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.003 -0.020 -10.219 1.00 0.00 H new ATOM 1666 N ARG A 107 16.260 -0.025 -12.727 1.00 0.00 N ATOM 1667 CA ARG A 107 15.166 -0.863 -13.189 1.00 0.00 C ATOM 1668 C ARG A 107 14.690 -1.781 -12.061 1.00 0.00 C ATOM 1669 O ARG A 107 15.502 -2.361 -11.343 1.00 0.00 O ATOM 1670 CB ARG A 107 15.593 -1.715 -14.386 1.00 0.00 C ATOM 1671 CG ARG A 107 14.406 -2.497 -14.952 1.00 0.00 C ATOM 1672 CD ARG A 107 14.707 -3.003 -16.365 1.00 0.00 C ATOM 1673 NE ARG A 107 14.145 -2.070 -17.366 1.00 0.00 N ATOM 1674 CZ ARG A 107 14.492 -2.059 -18.661 1.00 0.00 C ATOM 1675 NH1 ARG A 107 15.401 -2.930 -19.118 1.00 0.00 N ATOM 1676 NH2 ARG A 107 13.930 -1.176 -19.498 1.00 0.00 N ATOM 0 H ARG A 107 17.153 -0.507 -12.624 1.00 0.00 H new ATOM 0 HA ARG A 107 14.352 -0.207 -13.497 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.014 -1.075 -15.161 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.378 -2.407 -14.083 1.00 0.00 H new ATOM 0 HG2 ARG A 107 14.178 -3.341 -14.301 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.522 -1.860 -14.970 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.784 -3.095 -16.506 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.281 -3.997 -16.503 1.00 0.00 H new ATOM 0 HE ARG A 107 13.450 -1.393 -17.051 1.00 0.00 H new ATOM 0 HH11 ARG A 107 15.829 -3.602 -18.481 1.00 0.00 H new ATOM 0 HH12 ARG A 107 15.665 -2.922 -20.103 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.238 -0.512 -19.150 1.00 0.00 H new ATOM 0 HH22 ARG A 107 14.194 -1.168 -20.483 1.00 0.00 H new ATOM 1690 N TRP A 108 13.374 -1.885 -11.942 1.00 0.00 N ATOM 1691 CA TRP A 108 12.780 -2.723 -10.915 1.00 0.00 C ATOM 1692 C TRP A 108 12.072 -3.889 -11.607 1.00 0.00 C ATOM 1693 O TRP A 108 10.905 -3.778 -11.981 1.00 0.00 O ATOM 1694 CB TRP A 108 11.849 -1.908 -10.014 1.00 0.00 C ATOM 1695 CG TRP A 108 12.578 -1.064 -8.967 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.718 -0.374 -9.111 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.168 -0.846 -7.601 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.071 0.269 -7.943 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.099 -0.026 -6.995 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.047 -1.325 -6.900 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.004 0.385 -5.660 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 10.967 -0.904 -5.567 1.00 0.00 C ATOM 1703 CH2 TRP A 108 11.896 -0.080 -4.942 1.00 0.00 C ATOM 0 H TRP A 108 12.703 -1.403 -12.540 1.00 0.00 H new ATOM 0 HA TRP A 108 13.547 -3.125 -10.254 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.241 -1.251 -10.636 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.165 -2.588 -9.506 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.289 -0.327 -10.027 1.00 0.00 H new ATOM 0 HE1 TRP A 108 14.895 0.854 -7.801 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.306 -1.967 -7.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.746 1.027 -5.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.124 -1.243 -4.983 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.763 0.200 -3.907 1.00 0.00 H new ATOM 1714 N ASP A 109 12.807 -4.981 -11.756 1.00 0.00 N ATOM 1715 CA ASP A 109 12.264 -6.167 -12.396 1.00 0.00 C ATOM 1716 C ASP A 109 11.080 -6.687 -11.578 1.00 0.00 C ATOM 1717 O ASP A 109 10.304 -7.511 -12.058 1.00 0.00 O ATOM 1718 CB ASP A 109 13.311 -7.280 -12.472 1.00 0.00 C ATOM 1719 CG ASP A 109 14.497 -6.990 -13.395 1.00 0.00 C ATOM 1720 OD1 ASP A 109 14.672 -5.801 -13.737 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.201 -7.965 -13.736 1.00 0.00 O ATOM 0 H ASP A 109 13.774 -5.069 -11.444 1.00 0.00 H new ATOM 0 HA ASP A 109 11.954 -5.893 -13.405 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.690 -7.471 -11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.823 -8.195 -12.808 1.00 0.00 H new ATOM 1726 N TYR A 110 10.980 -6.183 -10.357 1.00 0.00 N ATOM 1727 CA TYR A 110 9.904 -6.586 -9.467 1.00 0.00 C ATOM 1728 C TYR A 110 9.723 -5.577 -8.332 1.00 0.00 C ATOM 1729 O TYR A 110 10.702 -5.070 -7.786 1.00 0.00 O ATOM 1730 CB TYR A 110 10.328 -7.931 -8.875 1.00 0.00 C ATOM 1731 CG TYR A 110 10.521 -9.037 -9.915 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.425 -9.596 -10.540 1.00 0.00 C ATOM 1733 CD2 TYR A 110 11.791 -9.475 -10.229 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.606 -10.636 -11.519 1.00 0.00 C ATOM 1735 CE2 TYR A 110 11.973 -10.515 -11.208 1.00 0.00 C ATOM 1736 CZ TYR A 110 10.872 -11.044 -11.805 1.00 0.00 C ATOM 1737 OH TYR A 110 11.043 -12.026 -12.729 1.00 0.00 O ATOM 0 H TYR A 110 11.626 -5.499 -9.963 1.00 0.00 H new ATOM 0 HA TYR A 110 8.960 -6.646 -10.009 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.260 -7.797 -8.326 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.576 -8.252 -8.154 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.431 -9.253 -10.295 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.649 -9.038 -9.740 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.756 -11.082 -12.015 1.00 0.00 H new ATOM 0 HE2 TYR A 110 12.962 -10.867 -11.462 1.00 0.00 H new ATOM 0 HH TYR A 110 11.999 -12.215 -12.833 1.00 0.00 H new ATOM 1747 N LEU A 111 8.465 -5.315 -8.010 1.00 0.00 N ATOM 1748 CA LEU A 111 8.144 -4.374 -6.950 1.00 0.00 C ATOM 1749 C LEU A 111 8.941 -4.736 -5.695 1.00 0.00 C ATOM 1750 O LEU A 111 9.378 -3.854 -4.957 1.00 0.00 O ATOM 1751 CB LEU A 111 6.632 -4.319 -6.723 1.00 0.00 C ATOM 1752 CG LEU A 111 6.089 -3.013 -6.139 1.00 0.00 C ATOM 1753 CD1 LEU A 111 4.764 -3.247 -5.410 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.128 -2.342 -5.238 1.00 0.00 C ATOM 0 H LEU A 111 7.656 -5.738 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 111 8.438 -3.364 -7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.135 -4.503 -7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.355 -5.135 -6.056 1.00 0.00 H new ATOM 0 HG LEU A 111 5.887 -2.329 -6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.400 -2.303 -5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.030 -3.649 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.917 -3.956 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.717 -1.416 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.385 -3.012 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.023 -2.120 -5.818 1.00 0.00 H new ATOM 1766 N THR A 112 9.106 -6.035 -5.492 1.00 0.00 N ATOM 1767 CA THR A 112 9.843 -6.524 -4.339 1.00 0.00 C ATOM 1768 C THR A 112 10.982 -7.444 -4.784 1.00 0.00 C ATOM 1769 O THR A 112 10.964 -7.963 -5.899 1.00 0.00 O ATOM 1770 CB THR A 112 8.848 -7.201 -3.394 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.045 -8.004 -4.254 1.00 0.00 O ATOM 1772 CG2 THR A 112 7.859 -6.211 -2.777 1.00 0.00 C ATOM 0 H THR A 112 8.742 -6.764 -6.106 1.00 0.00 H new ATOM 0 HA THR A 112 10.321 -5.706 -3.799 1.00 0.00 H new ATOM 0 HB THR A 112 9.392 -7.712 -2.600 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.373 -8.481 -3.723 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.176 -6.744 -2.115 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.405 -5.459 -2.207 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.290 -5.723 -3.569 1.00 0.00 H new