USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 674 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 Single : A 12 SER OG : rot 46:sc= 0.256 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 106:sc= 1.23 USER MOD Single : A 21 MET CE :methyl -114:sc= -0.0812 (180deg=-2.84) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 160:sc= -0.0109 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -117:sc= -0.0235 (180deg=-0.186) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.445 USER MOD Single : A 57 LYS NZ :NH3+ -165:sc= 1.13 (180deg=1.1) USER MOD Single : A 58 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.03) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.634 K(o=0.63,f=-0.86) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 81:sc= 1.2 USER MOD Single : A 77 HIS : no HE2:sc= -1.18 X(o=-1.2,f=-1.3) USER MOD Single : A 79 LYS NZ :NH3+ 158:sc= 1.25 (180deg=0.97) USER MOD Single : A 83 LYS NZ :NH3+ -144:sc= 1.14 (180deg=-0.014) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0268) USER MOD Single : A 89 LYS NZ :NH3+ 169:sc= -0.0327 (180deg=-0.225) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.612 USER MOD Single : A 92 GLN : amide:sc= 1.03 K(o=1,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 11 3.251 12.864 -9.455 1.00 0.00 N ATOM 175 CA ARG A 11 3.105 11.868 -8.391 1.00 0.00 C ATOM 176 C ARG A 11 2.733 10.506 -8.962 1.00 0.00 C ATOM 177 O ARG A 11 1.956 9.750 -8.373 1.00 0.00 O ATOM 178 CB ARG A 11 2.091 12.325 -7.336 1.00 0.00 C ATOM 179 CG ARG A 11 2.676 13.334 -6.363 1.00 0.00 C ATOM 180 CD ARG A 11 3.821 12.718 -5.581 1.00 0.00 C ATOM 181 NE ARG A 11 4.612 13.712 -4.863 1.00 0.00 N ATOM 182 CZ ARG A 11 5.504 13.409 -3.923 1.00 0.00 C ATOM 183 NH1 ARG A 11 5.675 12.145 -3.547 1.00 0.00 N ATOM 184 NH2 ARG A 11 6.228 14.363 -3.361 1.00 0.00 N ATOM 0 HA ARG A 11 4.071 11.768 -7.896 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.227 12.765 -7.834 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.732 11.457 -6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.030 14.210 -6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.902 13.677 -5.676 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.422 11.995 -4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.469 12.169 -6.265 1.00 0.00 H new ATOM 0 HE ARG A 11 4.473 14.696 -5.095 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.122 11.405 -3.979 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.359 11.915 -2.826 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.103 15.334 -3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.911 14.128 -2.641 1.00 0.00 H new ATOM 198 N SER A 12 3.312 10.207 -10.113 1.00 0.00 N ATOM 199 CA SER A 12 3.204 8.895 -10.715 1.00 0.00 C ATOM 200 C SER A 12 4.389 8.041 -10.270 1.00 0.00 C ATOM 201 O SER A 12 5.526 8.286 -10.679 1.00 0.00 O ATOM 202 CB SER A 12 3.174 9.033 -12.238 1.00 0.00 C ATOM 203 OG SER A 12 4.213 9.896 -12.686 1.00 0.00 O ATOM 0 H SER A 12 3.869 10.869 -10.654 1.00 0.00 H new ATOM 0 HA SER A 12 2.282 8.410 -10.395 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.286 8.052 -12.699 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.207 9.425 -12.553 1.00 0.00 H new ATOM 0 HG SER A 12 5.049 9.665 -12.231 1.00 0.00 H new ATOM 209 N VAL A 13 4.131 7.057 -9.421 1.00 0.00 N ATOM 210 CA VAL A 13 5.202 6.267 -8.828 1.00 0.00 C ATOM 211 C VAL A 13 5.491 5.014 -9.644 1.00 0.00 C ATOM 212 O VAL A 13 4.597 4.444 -10.272 1.00 0.00 O ATOM 213 CB VAL A 13 4.885 5.863 -7.372 1.00 0.00 C ATOM 214 CG1 VAL A 13 4.844 7.086 -6.473 1.00 0.00 C ATOM 215 CG2 VAL A 13 3.570 5.103 -7.286 1.00 0.00 C ATOM 0 H VAL A 13 3.192 6.786 -9.127 1.00 0.00 H new ATOM 0 HA VAL A 13 6.086 6.905 -8.828 1.00 0.00 H new ATOM 0 HB VAL A 13 5.682 5.203 -7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.619 6.779 -5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.811 7.588 -6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.072 7.770 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.374 4.832 -6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.761 5.733 -7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.632 4.199 -7.892 1.00 0.00 H new ATOM 225 N THR A 14 6.747 4.600 -9.636 1.00 0.00 N ATOM 226 CA THR A 14 7.162 3.401 -10.334 1.00 0.00 C ATOM 227 C THR A 14 7.251 2.234 -9.359 1.00 0.00 C ATOM 228 O THR A 14 8.053 2.256 -8.424 1.00 0.00 O ATOM 229 CB THR A 14 8.528 3.606 -11.014 1.00 0.00 C ATOM 230 OG1 THR A 14 8.522 4.834 -11.757 1.00 0.00 O ATOM 231 CG2 THR A 14 8.843 2.446 -11.947 1.00 0.00 C ATOM 0 H THR A 14 7.501 5.084 -9.148 1.00 0.00 H new ATOM 0 HA THR A 14 6.419 3.181 -11.101 1.00 0.00 H new ATOM 0 HB THR A 14 9.295 3.651 -10.241 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.394 4.961 -12.186 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.812 2.610 -12.417 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.869 1.517 -11.377 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.073 2.378 -12.716 1.00 0.00 H new ATOM 239 N LEU A 15 6.408 1.238 -9.567 1.00 0.00 N ATOM 240 CA LEU A 15 6.368 0.066 -8.708 1.00 0.00 C ATOM 241 C LEU A 15 7.445 -0.936 -9.122 1.00 0.00 C ATOM 242 O LEU A 15 7.936 -0.888 -10.251 1.00 0.00 O ATOM 243 CB LEU A 15 4.977 -0.564 -8.781 1.00 0.00 C ATOM 244 CG LEU A 15 3.840 0.366 -8.354 1.00 0.00 C ATOM 245 CD1 LEU A 15 2.495 -0.309 -8.537 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.021 0.804 -6.907 1.00 0.00 C ATOM 0 H LEU A 15 5.734 1.218 -10.333 1.00 0.00 H new ATOM 0 HA LEU A 15 6.569 0.362 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.795 -0.896 -9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.960 -1.453 -8.150 1.00 0.00 H new ATOM 0 HG LEU A 15 3.869 1.251 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.701 0.371 -8.227 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.359 -0.571 -9.586 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.456 -1.213 -7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.203 1.465 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.022 -0.072 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.968 1.334 -6.803 1.00 0.00 H new ATOM 258 N PRO A 16 7.814 -1.874 -8.226 1.00 0.00 N ATOM 259 CA PRO A 16 8.905 -2.828 -8.479 1.00 0.00 C ATOM 260 C PRO A 16 8.554 -3.859 -9.545 1.00 0.00 C ATOM 261 O PRO A 16 9.382 -4.689 -9.922 1.00 0.00 O ATOM 262 CB PRO A 16 9.100 -3.509 -7.123 1.00 0.00 C ATOM 263 CG PRO A 16 7.778 -3.399 -6.450 1.00 0.00 C ATOM 264 CD PRO A 16 7.198 -2.088 -6.901 1.00 0.00 C ATOM 0 HA PRO A 16 9.797 -2.328 -8.858 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.398 -4.551 -7.243 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.882 -3.019 -6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.128 -4.230 -6.726 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.887 -3.426 -5.366 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.111 -2.132 -6.967 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.443 -1.282 -6.210 1.00 0.00 H new ATOM 272 N ASP A 17 7.324 -3.801 -10.028 1.00 0.00 N ATOM 273 CA ASP A 17 6.861 -4.707 -11.067 1.00 0.00 C ATOM 274 C ASP A 17 6.775 -3.992 -12.411 1.00 0.00 C ATOM 275 O ASP A 17 6.381 -4.582 -13.418 1.00 0.00 O ATOM 276 CB ASP A 17 5.507 -5.313 -10.690 1.00 0.00 C ATOM 277 CG ASP A 17 4.544 -4.293 -10.122 1.00 0.00 C ATOM 278 OD1 ASP A 17 4.110 -3.398 -10.869 1.00 0.00 O ATOM 279 OD2 ASP A 17 4.223 -4.391 -8.915 1.00 0.00 O ATOM 0 H ASP A 17 6.623 -3.130 -9.714 1.00 0.00 H new ATOM 0 HA ASP A 17 7.585 -5.516 -11.159 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.062 -5.774 -11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.661 -6.107 -9.959 1.00 0.00 H new ATOM 284 N GLY A 18 7.150 -2.718 -12.420 1.00 0.00 N ATOM 285 CA GLY A 18 7.201 -1.971 -13.659 1.00 0.00 C ATOM 286 C GLY A 18 6.019 -1.043 -13.841 1.00 0.00 C ATOM 287 O GLY A 18 6.015 -0.210 -14.749 1.00 0.00 O ATOM 0 H GLY A 18 7.419 -2.190 -11.590 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.121 -1.388 -13.687 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.240 -2.669 -14.496 1.00 0.00 H new ATOM 291 N SER A 19 5.017 -1.178 -12.988 1.00 0.00 N ATOM 292 CA SER A 19 3.814 -0.373 -13.102 1.00 0.00 C ATOM 293 C SER A 19 4.047 1.056 -12.623 1.00 0.00 C ATOM 294 O SER A 19 4.578 1.279 -11.535 1.00 0.00 O ATOM 295 CB SER A 19 2.682 -1.012 -12.299 1.00 0.00 C ATOM 296 OG SER A 19 2.512 -2.371 -12.664 1.00 0.00 O ATOM 0 H SER A 19 5.014 -1.837 -12.210 1.00 0.00 H new ATOM 0 HA SER A 19 3.538 -0.332 -14.156 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.901 -0.941 -11.234 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.755 -0.466 -12.471 1.00 0.00 H new ATOM 0 HG SER A 19 2.869 -2.947 -11.956 1.00 0.00 H new ATOM 302 N ILE A 20 3.668 2.020 -13.448 1.00 0.00 N ATOM 303 CA ILE A 20 3.694 3.416 -13.045 1.00 0.00 C ATOM 304 C ILE A 20 2.288 3.874 -12.687 1.00 0.00 C ATOM 305 O ILE A 20 1.444 4.073 -13.560 1.00 0.00 O ATOM 306 CB ILE A 20 4.292 4.339 -14.133 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.753 3.971 -15.521 1.00 0.00 C ATOM 308 CG2 ILE A 20 5.812 4.269 -14.100 1.00 0.00 C ATOM 309 CD1 ILE A 20 4.216 4.902 -16.621 1.00 0.00 C ATOM 0 H ILE A 20 3.339 1.860 -14.400 1.00 0.00 H new ATOM 0 HA ILE A 20 4.344 3.490 -12.173 1.00 0.00 H new ATOM 0 HB ILE A 20 3.989 5.365 -13.924 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.063 2.954 -15.763 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.663 3.973 -15.490 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.223 4.922 -14.870 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.170 4.591 -13.122 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.133 3.244 -14.285 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.795 4.579 -17.573 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.883 5.917 -16.403 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.304 4.882 -16.680 1.00 0.00 H new ATOM 321 N MET A 21 2.036 4.016 -11.398 1.00 0.00 N ATOM 322 CA MET A 21 0.701 4.332 -10.921 1.00 0.00 C ATOM 323 C MET A 21 0.681 5.707 -10.276 1.00 0.00 C ATOM 324 O MET A 21 1.503 6.015 -9.414 1.00 0.00 O ATOM 325 CB MET A 21 0.229 3.275 -9.921 1.00 0.00 C ATOM 326 CG MET A 21 -1.281 3.231 -9.758 1.00 0.00 C ATOM 327 SD MET A 21 -1.821 1.972 -8.583 1.00 0.00 S ATOM 328 CE MET A 21 -1.217 2.670 -7.049 1.00 0.00 C ATOM 0 H MET A 21 2.737 3.918 -10.663 1.00 0.00 H new ATOM 0 HA MET A 21 0.022 4.336 -11.774 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.581 2.296 -10.245 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.686 3.473 -8.951 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.635 4.207 -9.426 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.741 3.038 -10.727 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.435 2.030 -6.641 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.811 3.664 -7.236 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.037 2.741 -6.334 1.00 0.00 H new ATOM 338 N THR A 22 -0.250 6.532 -10.706 1.00 0.00 N ATOM 339 CA THR A 22 -0.385 7.876 -10.178 1.00 0.00 C ATOM 340 C THR A 22 -1.387 7.885 -9.023 1.00 0.00 C ATOM 341 O THR A 22 -2.106 6.905 -8.820 1.00 0.00 O ATOM 342 CB THR A 22 -0.857 8.836 -11.288 1.00 0.00 C ATOM 343 OG1 THR A 22 -0.220 8.489 -12.522 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.527 10.279 -10.942 1.00 0.00 C ATOM 0 H THR A 22 -0.931 6.294 -11.427 1.00 0.00 H new ATOM 0 HA THR A 22 0.586 8.209 -9.811 1.00 0.00 H new ATOM 0 HB THR A 22 -1.939 8.742 -11.384 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.521 9.098 -13.228 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.872 10.933 -11.743 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.024 10.553 -10.011 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.551 10.387 -10.824 1.00 0.00 H new ATOM 352 N ARG A 23 -1.448 8.988 -8.272 1.00 0.00 N ATOM 353 CA ARG A 23 -2.394 9.105 -7.163 1.00 0.00 C ATOM 354 C ARG A 23 -3.843 9.080 -7.663 1.00 0.00 C ATOM 355 O ARG A 23 -4.780 9.049 -6.870 1.00 0.00 O ATOM 356 CB ARG A 23 -2.143 10.383 -6.355 1.00 0.00 C ATOM 357 CG ARG A 23 -2.861 10.389 -5.012 1.00 0.00 C ATOM 358 CD ARG A 23 -2.696 11.705 -4.267 1.00 0.00 C ATOM 359 NE ARG A 23 -3.331 12.827 -4.966 1.00 0.00 N ATOM 360 CZ ARG A 23 -4.631 13.135 -4.869 1.00 0.00 C ATOM 361 NH1 ARG A 23 -5.446 12.396 -4.119 1.00 0.00 N ATOM 362 NH2 ARG A 23 -5.111 14.188 -5.522 1.00 0.00 N ATOM 0 H ARG A 23 -0.857 9.807 -8.412 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.237 8.244 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.072 10.496 -6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.468 11.245 -6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.922 10.196 -5.170 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.478 9.576 -4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.126 11.611 -3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.634 11.915 -4.137 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.745 13.410 -5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.082 11.589 -3.613 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.435 12.637 -4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.490 14.759 -6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.100 14.425 -5.450 1.00 0.00 H new ATOM 376 N ALA A 24 -4.021 9.087 -8.979 1.00 0.00 N ATOM 377 CA ALA A 24 -5.344 8.968 -9.575 1.00 0.00 C ATOM 378 C ALA A 24 -5.927 7.581 -9.308 1.00 0.00 C ATOM 379 O ALA A 24 -7.140 7.376 -9.389 1.00 0.00 O ATOM 380 CB ALA A 24 -5.274 9.237 -11.071 1.00 0.00 C ATOM 0 H ALA A 24 -3.262 9.174 -9.655 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.999 9.710 -9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.270 9.145 -11.504 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.896 10.245 -11.242 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.606 8.514 -11.540 1.00 0.00 H new ATOM 386 N ASP A 25 -5.049 6.631 -8.999 1.00 0.00 N ATOM 387 CA ASP A 25 -5.468 5.278 -8.647 1.00 0.00 C ATOM 388 C ASP A 25 -5.478 5.091 -7.138 1.00 0.00 C ATOM 389 O ASP A 25 -5.896 4.049 -6.630 1.00 0.00 O ATOM 390 CB ASP A 25 -4.547 4.243 -9.292 1.00 0.00 C ATOM 391 CG ASP A 25 -4.810 4.067 -10.772 1.00 0.00 C ATOM 392 OD1 ASP A 25 -5.656 3.217 -11.129 1.00 0.00 O ATOM 393 OD2 ASP A 25 -4.174 4.767 -11.586 1.00 0.00 O ATOM 0 H ASP A 25 -4.039 6.774 -8.985 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.480 5.133 -9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.510 4.544 -9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.675 3.285 -8.788 1.00 0.00 H new ATOM 398 N LEU A 26 -5.019 6.113 -6.429 1.00 0.00 N ATOM 399 CA LEU A 26 -4.993 6.093 -4.975 1.00 0.00 C ATOM 400 C LEU A 26 -6.337 6.538 -4.421 1.00 0.00 C ATOM 401 O LEU A 26 -6.746 7.684 -4.610 1.00 0.00 O ATOM 402 CB LEU A 26 -3.883 7.004 -4.428 1.00 0.00 C ATOM 403 CG LEU A 26 -2.498 6.366 -4.275 1.00 0.00 C ATOM 404 CD1 LEU A 26 -2.545 5.221 -3.279 1.00 0.00 C ATOM 405 CD2 LEU A 26 -1.960 5.892 -5.614 1.00 0.00 C ATOM 0 H LEU A 26 -4.657 6.972 -6.842 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.789 5.070 -4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.792 7.867 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.197 7.379 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.818 7.128 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.552 4.781 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.870 5.596 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.246 4.463 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.976 5.444 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.639 5.151 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.878 6.740 -6.294 1.00 0.00 H new ATOM 417 N PRO A 27 -7.046 5.625 -3.745 1.00 0.00 N ATOM 418 CA PRO A 27 -8.342 5.915 -3.130 1.00 0.00 C ATOM 419 C PRO A 27 -8.203 6.856 -1.937 1.00 0.00 C ATOM 420 O PRO A 27 -7.657 6.473 -0.906 1.00 0.00 O ATOM 421 CB PRO A 27 -8.838 4.536 -2.663 1.00 0.00 C ATOM 422 CG PRO A 27 -7.960 3.544 -3.343 1.00 0.00 C ATOM 423 CD PRO A 27 -6.642 4.230 -3.526 1.00 0.00 C ATOM 0 HA PRO A 27 -9.022 6.412 -3.822 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.770 4.441 -1.579 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.883 4.384 -2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.851 2.641 -2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.380 3.241 -4.302 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.003 4.124 -2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.088 3.828 -4.375 1.00 0.00 H new ATOM 431 N PRO A 28 -8.687 8.103 -2.069 1.00 0.00 N ATOM 432 CA PRO A 28 -8.604 9.096 -0.992 1.00 0.00 C ATOM 433 C PRO A 28 -9.375 8.644 0.242 1.00 0.00 C ATOM 434 O PRO A 28 -8.879 8.718 1.366 1.00 0.00 O ATOM 435 CB PRO A 28 -9.246 10.349 -1.602 1.00 0.00 C ATOM 436 CG PRO A 28 -9.221 10.126 -3.075 1.00 0.00 C ATOM 437 CD PRO A 28 -9.346 8.644 -3.268 1.00 0.00 C ATOM 0 HA PRO A 28 -7.580 9.260 -0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.266 10.483 -1.242 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.691 11.247 -1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.040 10.654 -3.564 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.295 10.500 -3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.388 8.331 -3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.856 8.312 -4.183 1.00 0.00 H new ATOM 445 N ALA A 29 -10.594 8.178 0.007 1.00 0.00 N ATOM 446 CA ALA A 29 -11.444 7.624 1.050 1.00 0.00 C ATOM 447 C ALA A 29 -12.662 6.978 0.410 1.00 0.00 C ATOM 448 O ALA A 29 -13.049 5.861 0.750 1.00 0.00 O ATOM 449 CB ALA A 29 -11.874 8.701 2.035 1.00 0.00 C ATOM 0 H ALA A 29 -11.023 8.174 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.879 6.874 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.508 8.259 2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.992 9.141 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.430 9.476 1.507 1.00 0.00 H new ATOM 455 N ASN A 30 -13.249 7.690 -0.542 1.00 0.00 N ATOM 456 CA ASN A 30 -14.415 7.204 -1.259 1.00 0.00 C ATOM 457 C ASN A 30 -14.086 7.025 -2.731 1.00 0.00 C ATOM 458 O ASN A 30 -14.369 7.889 -3.558 1.00 0.00 O ATOM 459 CB ASN A 30 -15.603 8.161 -1.099 1.00 0.00 C ATOM 460 CG ASN A 30 -16.104 8.241 0.330 1.00 0.00 C ATOM 461 OD1 ASN A 30 -15.604 9.032 1.133 1.00 0.00 O ATOM 462 ND2 ASN A 30 -17.111 7.446 0.650 1.00 0.00 N ATOM 0 H ASN A 30 -12.932 8.614 -0.836 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.696 6.240 -0.834 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.310 9.156 -1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.417 7.835 -1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -17.503 7.473 1.591 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -17.496 6.806 -0.044 1.00 0.00 H new ATOM 469 N THR A 31 -13.428 5.922 -3.038 1.00 0.00 N ATOM 470 CA THR A 31 -13.129 5.573 -4.419 1.00 0.00 C ATOM 471 C THR A 31 -14.338 4.880 -5.047 1.00 0.00 C ATOM 472 O THR A 31 -15.354 4.672 -4.381 1.00 0.00 O ATOM 473 CB THR A 31 -11.881 4.666 -4.514 1.00 0.00 C ATOM 474 OG1 THR A 31 -11.462 4.524 -5.880 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.153 3.292 -3.913 1.00 0.00 C ATOM 0 H THR A 31 -13.089 5.250 -2.350 1.00 0.00 H new ATOM 0 HA THR A 31 -12.912 6.491 -4.965 1.00 0.00 H new ATOM 0 HB THR A 31 -11.083 5.142 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 31 -10.526 4.235 -5.907 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.258 2.676 -3.994 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.425 3.401 -2.863 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.972 2.815 -4.452 1.00 0.00 H new ATOM 483 N ARG A 32 -14.231 4.517 -6.317 1.00 0.00 N ATOM 484 CA ARG A 32 -15.329 3.864 -7.012 1.00 0.00 C ATOM 485 C ARG A 32 -15.347 2.370 -6.707 1.00 0.00 C ATOM 486 O ARG A 32 -14.933 1.555 -7.535 1.00 0.00 O ATOM 487 CB ARG A 32 -15.238 4.094 -8.521 1.00 0.00 C ATOM 488 CG ARG A 32 -15.344 5.555 -8.923 1.00 0.00 C ATOM 489 CD ARG A 32 -15.460 5.704 -10.430 1.00 0.00 C ATOM 490 NE ARG A 32 -16.659 5.045 -10.948 1.00 0.00 N ATOM 491 CZ ARG A 32 -17.613 5.670 -11.634 1.00 0.00 C ATOM 492 NH1 ARG A 32 -17.495 6.962 -11.913 1.00 0.00 N ATOM 493 NH2 ARG A 32 -18.684 5.004 -12.045 1.00 0.00 N ATOM 0 H ARG A 32 -13.397 4.663 -6.885 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.259 4.305 -6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.291 3.694 -8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.031 3.532 -9.014 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.213 6.005 -8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.467 6.097 -8.568 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.485 6.762 -10.690 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.577 5.279 -10.907 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.771 4.046 -10.773 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.672 7.478 -11.602 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.227 7.439 -12.439 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.778 4.010 -11.835 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.414 5.486 -12.571 1.00 0.00 H new ATOM 507 N ARG A 33 -15.815 2.043 -5.501 1.00 0.00 N ATOM 508 CA ARG A 33 -15.914 0.668 -5.010 1.00 0.00 C ATOM 509 C ARG A 33 -14.536 0.059 -4.741 1.00 0.00 C ATOM 510 O ARG A 33 -13.609 0.176 -5.547 1.00 0.00 O ATOM 511 CB ARG A 33 -16.705 -0.214 -5.979 1.00 0.00 C ATOM 512 CG ARG A 33 -17.070 -1.569 -5.396 1.00 0.00 C ATOM 513 CD ARG A 33 -17.954 -2.356 -6.341 1.00 0.00 C ATOM 514 NE ARG A 33 -18.486 -3.561 -5.713 1.00 0.00 N ATOM 515 CZ ARG A 33 -19.630 -4.135 -6.065 1.00 0.00 C ATOM 516 NH1 ARG A 33 -20.383 -3.593 -7.014 1.00 0.00 N ATOM 517 NH2 ARG A 33 -20.026 -5.240 -5.454 1.00 0.00 N ATOM 0 H ARG A 33 -16.141 2.737 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.453 0.709 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.617 0.306 -6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.119 -0.362 -6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -16.162 -2.135 -5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.584 -1.431 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.779 -1.727 -6.675 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -17.383 -2.631 -7.228 1.00 0.00 H new ATOM 0 HE ARG A 33 -17.947 -3.987 -4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -20.083 -2.734 -7.474 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -21.262 -4.036 -7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.453 -5.648 -4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -20.904 -5.684 -5.722 1.00 0.00 H new ATOM 531 N TRP A 34 -14.414 -0.599 -3.600 1.00 0.00 N ATOM 532 CA TRP A 34 -13.165 -1.228 -3.210 1.00 0.00 C ATOM 533 C TRP A 34 -13.017 -2.594 -3.864 1.00 0.00 C ATOM 534 O TRP A 34 -13.256 -3.626 -3.237 1.00 0.00 O ATOM 535 CB TRP A 34 -13.084 -1.364 -1.689 1.00 0.00 C ATOM 536 CG TRP A 34 -13.011 -0.050 -0.979 1.00 0.00 C ATOM 537 CD1 TRP A 34 -14.039 0.629 -0.392 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.842 0.744 -0.783 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.574 1.799 0.160 1.00 0.00 N ATOM 540 CE2 TRP A 34 -12.228 1.891 -0.069 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.504 0.593 -1.144 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -11.319 2.881 0.292 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.607 1.575 -0.786 1.00 0.00 C ATOM 544 CH2 TRP A 34 -10.016 2.704 -0.075 1.00 0.00 C ATOM 0 H TRP A 34 -15.170 -0.711 -2.925 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.348 -0.592 -3.551 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -13.956 -1.913 -1.334 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.207 -1.957 -1.431 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -15.066 0.296 -0.365 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -14.140 2.486 0.659 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.177 -0.277 -1.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.632 3.756 0.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.568 1.469 -1.061 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.286 3.454 0.191 1.00 0.00 H new ATOM 555 N VAL A 35 -12.645 -2.594 -5.134 1.00 0.00 N ATOM 556 CA VAL A 35 -12.387 -3.835 -5.850 1.00 0.00 C ATOM 557 C VAL A 35 -10.959 -4.305 -5.590 1.00 0.00 C ATOM 558 O VAL A 35 -10.191 -3.618 -4.910 1.00 0.00 O ATOM 559 CB VAL A 35 -12.619 -3.680 -7.371 1.00 0.00 C ATOM 560 CG1 VAL A 35 -14.072 -3.338 -7.654 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.692 -2.625 -7.961 1.00 0.00 C ATOM 0 H VAL A 35 -12.515 -1.749 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.091 -4.580 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.389 -4.632 -7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.218 -3.232 -8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.713 -4.135 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.328 -2.401 -7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.876 -2.536 -9.032 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.880 -1.665 -7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.655 -2.917 -7.794 1.00 0.00 H new ATOM 571 N ALA A 36 -10.606 -5.461 -6.141 1.00 0.00 N ATOM 572 CA ALA A 36 -9.285 -6.048 -5.928 1.00 0.00 C ATOM 573 C ALA A 36 -8.176 -5.093 -6.359 1.00 0.00 C ATOM 574 O ALA A 36 -7.205 -4.882 -5.629 1.00 0.00 O ATOM 575 CB ALA A 36 -9.168 -7.370 -6.674 1.00 0.00 C ATOM 0 H ALA A 36 -11.218 -6.013 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.168 -6.233 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.179 -7.796 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.928 -8.062 -6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.314 -7.200 -7.741 1.00 0.00 H new ATOM 581 N SER A 37 -8.339 -4.501 -7.537 1.00 0.00 N ATOM 582 CA SER A 37 -7.356 -3.566 -8.071 1.00 0.00 C ATOM 583 C SER A 37 -7.194 -2.345 -7.166 1.00 0.00 C ATOM 584 O SER A 37 -6.118 -1.766 -7.088 1.00 0.00 O ATOM 585 CB SER A 37 -7.758 -3.126 -9.479 1.00 0.00 C ATOM 586 OG SER A 37 -7.894 -4.243 -10.339 1.00 0.00 O ATOM 0 H SER A 37 -9.146 -4.653 -8.142 1.00 0.00 H new ATOM 0 HA SER A 37 -6.396 -4.080 -8.114 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.699 -2.577 -9.438 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.008 -2.443 -9.879 1.00 0.00 H new ATOM 0 HG SER A 37 -8.153 -3.938 -11.233 1.00 0.00 H new ATOM 592 N ARG A 38 -8.261 -1.961 -6.471 1.00 0.00 N ATOM 593 CA ARG A 38 -8.207 -0.799 -5.591 1.00 0.00 C ATOM 594 C ARG A 38 -7.455 -1.124 -4.308 1.00 0.00 C ATOM 595 O ARG A 38 -6.614 -0.348 -3.873 1.00 0.00 O ATOM 596 CB ARG A 38 -9.613 -0.288 -5.259 1.00 0.00 C ATOM 597 CG ARG A 38 -10.375 0.292 -6.448 1.00 0.00 C ATOM 598 CD ARG A 38 -9.736 1.572 -6.984 1.00 0.00 C ATOM 599 NE ARG A 38 -8.465 1.322 -7.674 1.00 0.00 N ATOM 600 CZ ARG A 38 -7.997 2.062 -8.683 1.00 0.00 C ATOM 601 NH1 ARG A 38 -8.690 3.102 -9.127 1.00 0.00 N ATOM 602 NH2 ARG A 38 -6.832 1.760 -9.247 1.00 0.00 N ATOM 0 H ARG A 38 -9.165 -2.433 -6.499 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.671 -0.012 -6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.194 -1.109 -4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.534 0.477 -4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.418 -0.450 -7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.403 0.500 -6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.428 2.059 -7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.567 2.263 -6.158 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.902 0.531 -7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.584 3.340 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.329 3.664 -9.898 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.294 0.962 -8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.476 2.326 -10.017 1.00 0.00 H new ATOM 616 N LYS A 39 -7.753 -2.280 -3.721 1.00 0.00 N ATOM 617 CA LYS A 39 -7.099 -2.714 -2.486 1.00 0.00 C ATOM 618 C LYS A 39 -5.578 -2.740 -2.645 1.00 0.00 C ATOM 619 O LYS A 39 -4.841 -2.090 -1.890 1.00 0.00 O ATOM 620 CB LYS A 39 -7.602 -4.105 -2.085 1.00 0.00 C ATOM 621 CG LYS A 39 -9.039 -4.127 -1.580 1.00 0.00 C ATOM 622 CD LYS A 39 -9.480 -5.539 -1.223 1.00 0.00 C ATOM 623 CE LYS A 39 -10.742 -5.542 -0.371 1.00 0.00 C ATOM 624 NZ LYS A 39 -11.903 -4.931 -1.071 1.00 0.00 N ATOM 0 H LYS A 39 -8.446 -2.937 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.349 -1.998 -1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.520 -4.770 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.950 -4.505 -1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.129 -3.484 -0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.701 -3.720 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.658 -6.106 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.678 -6.045 -0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.987 -6.567 -0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.553 -4.999 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.213 -4.083 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.625 -4.666 -2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.684 -5.616 -1.111 1.00 0.00 H new ATOM 638 N ILE A 40 -5.114 -3.473 -3.650 1.00 0.00 N ATOM 639 CA ILE A 40 -3.688 -3.608 -3.898 1.00 0.00 C ATOM 640 C ILE A 40 -3.085 -2.267 -4.320 1.00 0.00 C ATOM 641 O ILE A 40 -1.913 -1.993 -4.054 1.00 0.00 O ATOM 642 CB ILE A 40 -3.410 -4.680 -4.976 1.00 0.00 C ATOM 643 CG1 ILE A 40 -4.109 -5.992 -4.601 1.00 0.00 C ATOM 644 CG2 ILE A 40 -1.912 -4.902 -5.138 1.00 0.00 C ATOM 645 CD1 ILE A 40 -3.912 -7.103 -5.608 1.00 0.00 C ATOM 0 H ILE A 40 -5.707 -3.982 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.217 -3.927 -2.968 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.806 -4.329 -5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.739 -6.325 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.177 -5.804 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.737 -5.660 -5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.436 -3.968 -5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.489 -5.237 -4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.437 -7.997 -5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.308 -6.792 -6.575 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.849 -7.322 -5.705 1.00 0.00 H new ATOM 657 N ALA A 41 -3.896 -1.426 -4.959 1.00 0.00 N ATOM 658 CA ALA A 41 -3.451 -0.095 -5.360 1.00 0.00 C ATOM 659 C ALA A 41 -3.108 0.754 -4.144 1.00 0.00 C ATOM 660 O ALA A 41 -2.127 1.497 -4.162 1.00 0.00 O ATOM 661 CB ALA A 41 -4.506 0.606 -6.203 1.00 0.00 C ATOM 0 H ALA A 41 -4.861 -1.642 -5.209 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.552 -0.219 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.147 1.595 -6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.703 0.020 -7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.425 0.706 -5.626 1.00 0.00 H new ATOM 667 N VAL A 42 -3.907 0.635 -3.085 1.00 0.00 N ATOM 668 CA VAL A 42 -3.663 1.404 -1.873 1.00 0.00 C ATOM 669 C VAL A 42 -2.322 1.017 -1.270 1.00 0.00 C ATOM 670 O VAL A 42 -1.443 1.862 -1.121 1.00 0.00 O ATOM 671 CB VAL A 42 -4.758 1.215 -0.800 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.604 2.248 0.303 1.00 0.00 C ATOM 673 CG2 VAL A 42 -6.145 1.298 -1.404 1.00 0.00 C ATOM 0 H VAL A 42 -4.719 0.020 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.669 2.452 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.636 0.219 -0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.383 2.101 1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.626 2.137 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.692 3.248 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.891 1.161 -0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.282 2.274 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.261 0.518 -2.157 1.00 0.00 H new ATOM 683 N VAL A 43 -2.157 -0.268 -0.957 1.00 0.00 N ATOM 684 CA VAL A 43 -0.930 -0.736 -0.308 1.00 0.00 C ATOM 685 C VAL A 43 0.314 -0.484 -1.166 1.00 0.00 C ATOM 686 O VAL A 43 1.364 -0.119 -0.640 1.00 0.00 O ATOM 687 CB VAL A 43 -1.002 -2.225 0.100 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.651 -2.362 1.463 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.768 -3.050 -0.919 1.00 0.00 C ATOM 0 H VAL A 43 -2.847 -0.996 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.841 -0.145 0.603 1.00 0.00 H new ATOM 0 HB VAL A 43 0.019 -2.605 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.696 -3.415 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.064 -1.817 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.660 -1.952 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.797 -4.091 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.785 -2.669 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.272 -2.984 -1.888 1.00 0.00 H new ATOM 699 N ARG A 44 0.194 -0.662 -2.478 1.00 0.00 N ATOM 700 CA ARG A 44 1.290 -0.348 -3.395 1.00 0.00 C ATOM 701 C ARG A 44 1.604 1.142 -3.372 1.00 0.00 C ATOM 702 O ARG A 44 2.753 1.543 -3.187 1.00 0.00 O ATOM 703 CB ARG A 44 0.919 -0.751 -4.823 1.00 0.00 C ATOM 704 CG ARG A 44 1.274 -2.176 -5.202 1.00 0.00 C ATOM 705 CD ARG A 44 0.660 -2.527 -6.547 1.00 0.00 C ATOM 706 NE ARG A 44 1.422 -3.544 -7.274 1.00 0.00 N ATOM 707 CZ ARG A 44 0.874 -4.427 -8.105 1.00 0.00 C ATOM 708 NH1 ARG A 44 -0.446 -4.479 -8.251 1.00 0.00 N ATOM 709 NH2 ARG A 44 1.648 -5.246 -8.801 1.00 0.00 N ATOM 0 H ARG A 44 -0.647 -1.020 -2.931 1.00 0.00 H new ATOM 0 HA ARG A 44 2.167 -0.907 -3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.154 -0.613 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.416 -0.072 -5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.357 -2.289 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.913 -2.864 -4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.358 -2.884 -6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.593 -1.626 -7.156 1.00 0.00 H new ATOM 0 HE ARG A 44 2.432 -3.578 -7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.043 -3.841 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.862 -5.157 -8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.662 -5.199 -8.699 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.230 -5.924 -9.439 1.00 0.00 H new ATOM 723 N GLY A 45 0.569 1.950 -3.557 1.00 0.00 N ATOM 724 CA GLY A 45 0.744 3.382 -3.646 1.00 0.00 C ATOM 725 C GLY A 45 1.334 3.983 -2.389 1.00 0.00 C ATOM 726 O GLY A 45 2.317 4.718 -2.456 1.00 0.00 O ATOM 0 H GLY A 45 -0.396 1.633 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.393 3.612 -4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.220 3.849 -3.848 1.00 0.00 H new ATOM 730 N VAL A 46 0.751 3.667 -1.239 1.00 0.00 N ATOM 731 CA VAL A 46 1.216 4.243 0.016 1.00 0.00 C ATOM 732 C VAL A 46 2.623 3.754 0.369 1.00 0.00 C ATOM 733 O VAL A 46 3.570 4.537 0.354 1.00 0.00 O ATOM 734 CB VAL A 46 0.244 3.980 1.204 1.00 0.00 C ATOM 735 CG1 VAL A 46 -1.067 4.721 0.999 1.00 0.00 C ATOM 736 CG2 VAL A 46 -0.025 2.495 1.412 1.00 0.00 C ATOM 0 H VAL A 46 -0.035 3.023 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 46 1.245 5.321 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 46 0.734 4.356 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.732 4.524 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.873 5.792 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.537 4.380 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.708 2.363 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.473 2.077 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.913 1.981 1.623 1.00 0.00 H new ATOM 746 N ILE A 47 2.758 2.451 0.608 1.00 0.00 N ATOM 747 CA ILE A 47 3.970 1.875 1.182 1.00 0.00 C ATOM 748 C ILE A 47 5.183 2.088 0.286 1.00 0.00 C ATOM 749 O ILE A 47 6.262 2.450 0.758 1.00 0.00 O ATOM 750 CB ILE A 47 3.790 0.361 1.447 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.629 0.131 2.419 1.00 0.00 C ATOM 752 CG2 ILE A 47 5.076 -0.249 1.987 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.437 -1.315 2.822 1.00 0.00 C ATOM 0 H ILE A 47 2.029 1.766 0.409 1.00 0.00 H new ATOM 0 HA ILE A 47 4.145 2.392 2.126 1.00 0.00 H new ATOM 0 HB ILE A 47 3.556 -0.132 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.797 0.728 3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.709 0.495 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.926 -1.314 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.877 -0.112 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.347 0.242 2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.596 -1.392 3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.236 -1.916 1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.341 -1.680 3.311 1.00 0.00 H new ATOM 765 N TYR A 48 5.002 1.883 -1.004 1.00 0.00 N ATOM 766 CA TYR A 48 6.124 1.918 -1.920 1.00 0.00 C ATOM 767 C TYR A 48 6.377 3.328 -2.438 1.00 0.00 C ATOM 768 O TYR A 48 7.525 3.760 -2.554 1.00 0.00 O ATOM 769 CB TYR A 48 5.879 0.964 -3.089 1.00 0.00 C ATOM 770 CG TYR A 48 7.139 0.620 -3.845 1.00 0.00 C ATOM 771 CD1 TYR A 48 7.980 -0.385 -3.392 1.00 0.00 C ATOM 772 CD2 TYR A 48 7.493 1.308 -4.995 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.147 -0.696 -4.064 1.00 0.00 C ATOM 774 CE2 TYR A 48 8.656 1.002 -5.676 1.00 0.00 C ATOM 775 CZ TYR A 48 9.480 0.000 -5.206 1.00 0.00 C ATOM 776 OH TYR A 48 10.642 -0.303 -5.877 1.00 0.00 O ATOM 0 H TYR A 48 4.099 1.692 -1.438 1.00 0.00 H new ATOM 0 HA TYR A 48 7.012 1.598 -1.374 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.426 0.047 -2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.162 1.416 -3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.719 -0.934 -2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.851 2.094 -5.364 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.794 -1.479 -3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.919 1.545 -6.572 1.00 0.00 H new ATOM 0 HH TYR A 48 10.728 0.278 -6.661 1.00 0.00 H new ATOM 786 N GLY A 49 5.306 4.046 -2.733 1.00 0.00 N ATOM 787 CA GLY A 49 5.443 5.312 -3.420 1.00 0.00 C ATOM 788 C GLY A 49 5.336 6.532 -2.523 1.00 0.00 C ATOM 789 O GLY A 49 6.214 7.396 -2.536 1.00 0.00 O ATOM 0 H GLY A 49 4.348 3.777 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.408 5.333 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.676 5.376 -4.192 1.00 0.00 H new ATOM 793 N LEU A 50 4.269 6.612 -1.743 1.00 0.00 N ATOM 794 CA LEU A 50 3.918 7.860 -1.079 1.00 0.00 C ATOM 795 C LEU A 50 4.465 7.952 0.344 1.00 0.00 C ATOM 796 O LEU A 50 5.451 8.653 0.587 1.00 0.00 O ATOM 797 CB LEU A 50 2.395 8.068 -1.082 1.00 0.00 C ATOM 798 CG LEU A 50 1.806 8.644 -2.381 1.00 0.00 C ATOM 799 CD1 LEU A 50 2.012 7.702 -3.557 1.00 0.00 C ATOM 800 CD2 LEU A 50 0.325 8.943 -2.211 1.00 0.00 C ATOM 0 H LEU A 50 3.635 5.835 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 50 4.391 8.658 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.915 7.110 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.136 8.735 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 50 2.336 9.572 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.583 8.143 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.079 7.536 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.522 6.750 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.073 9.350 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.205 8.024 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.190 9.670 -1.410 1.00 0.00 H new ATOM 812 N ILE A 51 3.849 7.235 1.277 1.00 0.00 N ATOM 813 CA ILE A 51 4.139 7.431 2.694 1.00 0.00 C ATOM 814 C ILE A 51 4.167 6.120 3.477 1.00 0.00 C ATOM 815 O ILE A 51 3.746 5.078 2.986 1.00 0.00 O ATOM 816 CB ILE A 51 3.127 8.406 3.349 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.699 8.184 2.818 1.00 0.00 C ATOM 818 CG2 ILE A 51 3.558 9.847 3.120 1.00 0.00 C ATOM 819 CD1 ILE A 51 1.061 6.882 3.248 1.00 0.00 C ATOM 0 H ILE A 51 3.151 6.518 1.081 1.00 0.00 H new ATOM 0 HA ILE A 51 5.137 7.867 2.737 1.00 0.00 H new ATOM 0 HB ILE A 51 3.117 8.203 4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.069 9.009 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.721 8.220 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.838 10.520 3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.542 10.007 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.603 10.048 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.058 6.812 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.663 6.046 2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.001 6.848 4.336 1.00 0.00 H new ATOM 831 N THR A 52 4.662 6.189 4.705 1.00 0.00 N ATOM 832 CA THR A 52 4.738 5.020 5.567 1.00 0.00 C ATOM 833 C THR A 52 3.351 4.593 6.037 1.00 0.00 C ATOM 834 O THR A 52 2.362 5.316 5.866 1.00 0.00 O ATOM 835 CB THR A 52 5.650 5.280 6.792 1.00 0.00 C ATOM 836 OG1 THR A 52 5.631 4.165 7.695 1.00 0.00 O ATOM 837 CG2 THR A 52 5.232 6.547 7.528 1.00 0.00 C ATOM 0 H THR A 52 5.018 7.047 5.127 1.00 0.00 H new ATOM 0 HA THR A 52 5.173 4.213 4.977 1.00 0.00 H new ATOM 0 HB THR A 52 6.666 5.411 6.419 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.216 4.353 8.459 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.889 6.705 8.383 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.303 7.400 6.853 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.204 6.444 7.875 1.00 0.00 H new ATOM 845 N LEU A 53 3.297 3.419 6.643 1.00 0.00 N ATOM 846 CA LEU A 53 2.057 2.860 7.143 1.00 0.00 C ATOM 847 C LEU A 53 1.445 3.759 8.207 1.00 0.00 C ATOM 848 O LEU A 53 0.233 3.780 8.375 1.00 0.00 O ATOM 849 CB LEU A 53 2.308 1.468 7.716 1.00 0.00 C ATOM 850 CG LEU A 53 1.104 0.825 8.415 1.00 0.00 C ATOM 851 CD1 LEU A 53 -0.071 0.691 7.457 1.00 0.00 C ATOM 852 CD2 LEU A 53 1.480 -0.532 8.990 1.00 0.00 C ATOM 0 H LEU A 53 4.113 2.828 6.801 1.00 0.00 H new ATOM 0 HA LEU A 53 1.354 2.787 6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.632 0.812 6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.132 1.528 8.427 1.00 0.00 H new ATOM 0 HG LEU A 53 0.802 1.476 9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.913 0.232 7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.361 1.678 7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.218 0.067 6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.612 -0.972 9.482 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.813 -1.188 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.285 -0.410 9.715 1.00 0.00 H new ATOM 864 N ALA A 54 2.284 4.498 8.919 1.00 0.00 N ATOM 865 CA ALA A 54 1.800 5.440 9.917 1.00 0.00 C ATOM 866 C ALA A 54 0.837 6.441 9.283 1.00 0.00 C ATOM 867 O ALA A 54 -0.260 6.678 9.792 1.00 0.00 O ATOM 868 CB ALA A 54 2.966 6.163 10.573 1.00 0.00 C ATOM 0 H ALA A 54 3.299 4.464 8.825 1.00 0.00 H new ATOM 0 HA ALA A 54 1.262 4.885 10.686 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.587 6.864 11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.618 5.437 11.058 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.529 6.707 9.815 1.00 0.00 H new ATOM 874 N GLU A 55 1.243 7.001 8.152 1.00 0.00 N ATOM 875 CA GLU A 55 0.430 7.977 7.437 1.00 0.00 C ATOM 876 C GLU A 55 -0.757 7.290 6.766 1.00 0.00 C ATOM 877 O GLU A 55 -1.890 7.784 6.810 1.00 0.00 O ATOM 878 CB GLU A 55 1.281 8.696 6.391 1.00 0.00 C ATOM 879 CG GLU A 55 2.567 9.282 6.950 1.00 0.00 C ATOM 880 CD GLU A 55 2.317 10.321 8.019 1.00 0.00 C ATOM 881 OE1 GLU A 55 2.212 9.948 9.202 1.00 0.00 O ATOM 882 OE2 GLU A 55 2.234 11.520 7.676 1.00 0.00 O ATOM 0 H GLU A 55 2.137 6.795 7.707 1.00 0.00 H new ATOM 0 HA GLU A 55 0.050 8.708 8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.528 7.996 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.692 9.496 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.177 8.480 7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.140 9.732 6.139 1.00 0.00 H new ATOM 889 N ALA A 56 -0.482 6.151 6.137 1.00 0.00 N ATOM 890 CA ALA A 56 -1.521 5.325 5.531 1.00 0.00 C ATOM 891 C ALA A 56 -2.591 4.958 6.544 1.00 0.00 C ATOM 892 O ALA A 56 -3.757 5.148 6.280 1.00 0.00 O ATOM 893 CB ALA A 56 -0.912 4.069 4.931 1.00 0.00 C ATOM 0 H ALA A 56 0.461 5.777 6.033 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.992 5.905 4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.698 3.462 4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.186 4.346 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.414 3.497 5.713 1.00 0.00 H new ATOM 899 N LYS A 57 -2.194 4.464 7.704 1.00 0.00 N ATOM 900 CA LYS A 57 -3.149 4.066 8.735 1.00 0.00 C ATOM 901 C LYS A 57 -4.078 5.233 9.088 1.00 0.00 C ATOM 902 O LYS A 57 -5.299 5.075 9.123 1.00 0.00 O ATOM 903 CB LYS A 57 -2.403 3.584 9.984 1.00 0.00 C ATOM 904 CG LYS A 57 -3.296 2.961 11.045 1.00 0.00 C ATOM 905 CD LYS A 57 -2.537 2.751 12.349 1.00 0.00 C ATOM 906 CE LYS A 57 -1.494 1.646 12.243 1.00 0.00 C ATOM 907 NZ LYS A 57 -2.068 0.302 12.519 1.00 0.00 N ATOM 0 H LYS A 57 -1.216 4.327 7.960 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.757 3.248 8.349 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.651 2.854 9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.871 4.428 10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.158 3.604 11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.680 2.006 10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.048 3.682 12.635 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.243 2.505 13.142 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.058 1.655 11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.684 1.844 12.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.298 -0.377 12.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.676 0.351 13.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.632 -0.009 11.702 1.00 0.00 H new ATOM 921 N GLN A 58 -3.493 6.408 9.305 1.00 0.00 N ATOM 922 CA GLN A 58 -4.253 7.600 9.688 1.00 0.00 C ATOM 923 C GLN A 58 -5.281 7.996 8.626 1.00 0.00 C ATOM 924 O GLN A 58 -6.410 8.358 8.952 1.00 0.00 O ATOM 925 CB GLN A 58 -3.305 8.775 9.929 1.00 0.00 C ATOM 926 CG GLN A 58 -2.376 8.584 11.115 1.00 0.00 C ATOM 927 CD GLN A 58 -1.313 9.662 11.189 1.00 0.00 C ATOM 928 OE1 GLN A 58 -1.502 10.703 11.816 1.00 0.00 O ATOM 929 NE2 GLN A 58 -0.183 9.409 10.553 1.00 0.00 N ATOM 0 H GLN A 58 -2.488 6.563 9.222 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.790 7.355 10.605 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.706 8.935 9.033 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.894 9.679 10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.959 8.588 12.036 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.897 7.608 11.045 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.069 8.532 10.045 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.575 10.091 10.570 1.00 0.00 H new ATOM 938 N THR A 59 -4.888 7.936 7.360 1.00 0.00 N ATOM 939 CA THR A 59 -5.749 8.405 6.281 1.00 0.00 C ATOM 940 C THR A 59 -6.464 7.254 5.576 1.00 0.00 C ATOM 941 O THR A 59 -7.687 7.248 5.451 1.00 0.00 O ATOM 942 CB THR A 59 -4.936 9.200 5.244 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.125 10.175 5.911 1.00 0.00 O ATOM 944 CG2 THR A 59 -5.854 9.890 4.244 1.00 0.00 C ATOM 0 H THR A 59 -3.986 7.570 7.056 1.00 0.00 H new ATOM 0 HA THR A 59 -6.500 9.050 6.737 1.00 0.00 H new ATOM 0 HB THR A 59 -4.298 8.504 4.699 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.607 10.678 5.248 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.254 10.445 3.522 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.451 9.142 3.722 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.515 10.578 4.771 1.00 0.00 H new ATOM 952 N TYR A 60 -5.688 6.281 5.135 1.00 0.00 N ATOM 953 CA TYR A 60 -6.194 5.189 4.321 1.00 0.00 C ATOM 954 C TYR A 60 -6.298 3.902 5.134 1.00 0.00 C ATOM 955 O TYR A 60 -6.415 2.818 4.573 1.00 0.00 O ATOM 956 CB TYR A 60 -5.274 4.961 3.120 1.00 0.00 C ATOM 957 CG TYR A 60 -4.914 6.233 2.382 1.00 0.00 C ATOM 958 CD1 TYR A 60 -5.824 6.848 1.536 1.00 0.00 C ATOM 959 CD2 TYR A 60 -3.666 6.823 2.542 1.00 0.00 C ATOM 960 CE1 TYR A 60 -5.504 8.014 0.868 1.00 0.00 C ATOM 961 CE2 TYR A 60 -3.339 7.991 1.879 1.00 0.00 C ATOM 962 CZ TYR A 60 -4.261 8.581 1.043 1.00 0.00 C ATOM 963 OH TYR A 60 -3.939 9.748 0.385 1.00 0.00 O ATOM 0 H TYR A 60 -4.689 6.225 5.331 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.190 5.461 3.973 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.359 4.477 3.461 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.759 4.274 2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.800 6.408 1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.940 6.362 3.195 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.225 8.479 0.212 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.366 8.439 2.016 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.025 10.014 0.619 1.00 0.00 H new ATOM 973 N GLY A 61 -6.241 4.027 6.458 1.00 0.00 N ATOM 974 CA GLY A 61 -6.244 2.860 7.314 1.00 0.00 C ATOM 975 C GLY A 61 -7.587 2.174 7.380 1.00 0.00 C ATOM 976 O GLY A 61 -7.647 0.989 7.686 1.00 0.00 O ATOM 0 H GLY A 61 -6.193 4.919 6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.499 2.151 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.944 3.154 8.320 1.00 0.00 H new ATOM 980 N LEU A 62 -8.653 2.931 7.091 1.00 0.00 N ATOM 981 CA LEU A 62 -10.037 2.426 7.103 1.00 0.00 C ATOM 982 C LEU A 62 -10.298 1.559 8.332 1.00 0.00 C ATOM 983 O LEU A 62 -10.575 2.069 9.418 1.00 0.00 O ATOM 984 CB LEU A 62 -10.378 1.655 5.810 1.00 0.00 C ATOM 985 CG LEU A 62 -9.269 1.576 4.751 1.00 0.00 C ATOM 986 CD1 LEU A 62 -8.513 0.256 4.844 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.842 1.758 3.360 1.00 0.00 C ATOM 0 H LEU A 62 -8.582 3.917 6.840 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.693 3.295 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.663 0.639 6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.253 2.120 5.355 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.565 2.385 4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.734 0.228 4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.059 0.166 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.205 -0.571 4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.039 1.699 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.574 0.974 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.326 2.732 3.290 1.00 0.00 H new ATOM 999 N SER A 63 -10.210 0.252 8.152 1.00 0.00 N ATOM 1000 CA SER A 63 -10.150 -0.667 9.265 1.00 0.00 C ATOM 1001 C SER A 63 -8.796 -1.349 9.203 1.00 0.00 C ATOM 1002 O SER A 63 -8.415 -1.859 8.150 1.00 0.00 O ATOM 1003 CB SER A 63 -11.288 -1.691 9.199 1.00 0.00 C ATOM 1004 OG SER A 63 -11.290 -2.538 10.339 1.00 0.00 O ATOM 0 H SER A 63 -10.179 -0.195 7.236 1.00 0.00 H new ATOM 0 HA SER A 63 -10.269 -0.135 10.209 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.243 -1.171 9.128 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.185 -2.293 8.296 1.00 0.00 H new ATOM 0 HG SER A 63 -12.028 -3.179 10.269 1.00 0.00 H new ATOM 1010 N ASP A 64 -8.060 -1.319 10.305 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.696 -1.844 10.327 1.00 0.00 C ATOM 1012 C ASP A 64 -6.655 -3.273 9.787 1.00 0.00 C ATOM 1013 O ASP A 64 -5.772 -3.624 9.011 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.125 -1.787 11.745 1.00 0.00 C ATOM 1015 CG ASP A 64 -4.631 -2.061 11.788 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -3.846 -1.208 11.321 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -4.228 -3.119 12.315 1.00 0.00 O ATOM 0 H ASP A 64 -8.381 -0.938 11.195 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.079 -1.220 9.680 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.322 -0.804 12.172 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.642 -2.515 12.370 1.00 0.00 H new ATOM 1022 N GLU A 65 -7.651 -4.073 10.162 1.00 0.00 N ATOM 1023 CA GLU A 65 -7.749 -5.456 9.699 1.00 0.00 C ATOM 1024 C GLU A 65 -7.981 -5.520 8.191 1.00 0.00 C ATOM 1025 O GLU A 65 -7.462 -6.407 7.512 1.00 0.00 O ATOM 1026 CB GLU A 65 -8.877 -6.176 10.437 1.00 0.00 C ATOM 1027 CG GLU A 65 -8.665 -6.233 11.937 1.00 0.00 C ATOM 1028 CD GLU A 65 -7.465 -7.071 12.335 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -6.317 -6.614 12.156 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -7.665 -8.192 12.839 1.00 0.00 O ATOM 0 H GLU A 65 -8.404 -3.786 10.787 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.803 -5.954 9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.820 -5.671 10.228 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.967 -7.191 10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.537 -5.220 12.319 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.559 -6.641 12.409 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.753 -4.570 7.672 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.995 -4.465 6.234 1.00 0.00 C ATOM 1039 C GLU A 66 -7.671 -4.234 5.512 1.00 0.00 C ATOM 1040 O GLU A 66 -7.314 -4.967 4.593 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.967 -3.309 5.940 1.00 0.00 C ATOM 1042 CG GLU A 66 -10.257 -3.081 4.461 1.00 0.00 C ATOM 1043 CD GLU A 66 -11.035 -4.207 3.809 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -12.280 -4.210 3.905 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -10.410 -5.081 3.174 1.00 0.00 O ATOM 0 H GLU A 66 -9.225 -3.857 8.228 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.443 -5.392 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.908 -3.504 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.557 -2.391 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.817 -2.153 4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.313 -2.950 3.931 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.931 -3.234 5.977 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.656 -2.864 5.375 1.00 0.00 C ATOM 1054 C PHE A 67 -4.654 -4.019 5.493 1.00 0.00 C ATOM 1055 O PHE A 67 -3.979 -4.375 4.523 1.00 0.00 O ATOM 1056 CB PHE A 67 -5.105 -1.608 6.060 1.00 0.00 C ATOM 1057 CG PHE A 67 -4.007 -0.926 5.292 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -2.690 -1.340 5.412 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -4.297 0.135 4.452 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -1.685 -0.712 4.703 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -3.297 0.769 3.742 1.00 0.00 C ATOM 1062 CZ PHE A 67 -1.989 0.346 3.869 1.00 0.00 C ATOM 0 H PHE A 67 -7.196 -2.660 6.777 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.812 -2.652 4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.921 -0.902 6.212 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.730 -1.879 7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.447 -2.163 6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.318 0.471 4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.663 -1.048 4.801 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.538 1.594 3.088 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.204 0.842 3.317 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.579 -4.609 6.689 1.00 0.00 N ATOM 1073 CA ASN A 68 -3.697 -5.754 6.945 1.00 0.00 C ATOM 1074 C ASN A 68 -4.014 -6.897 6.000 1.00 0.00 C ATOM 1075 O ASN A 68 -3.114 -7.598 5.539 1.00 0.00 O ATOM 1076 CB ASN A 68 -3.837 -6.253 8.391 1.00 0.00 C ATOM 1077 CG ASN A 68 -3.298 -5.280 9.419 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -2.357 -4.533 9.157 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -3.896 -5.289 10.602 1.00 0.00 N ATOM 0 H ASN A 68 -5.121 -4.312 7.500 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.674 -5.415 6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.889 -6.445 8.601 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.313 -7.203 8.492 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.579 -4.659 11.339 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.674 -5.926 10.776 1.00 0.00 H new ATOM 1086 N SER A 69 -5.291 -7.074 5.709 1.00 0.00 N ATOM 1087 CA SER A 69 -5.736 -8.166 4.869 1.00 0.00 C ATOM 1088 C SER A 69 -5.154 -8.048 3.461 1.00 0.00 C ATOM 1089 O SER A 69 -4.805 -9.057 2.850 1.00 0.00 O ATOM 1090 CB SER A 69 -7.263 -8.205 4.818 1.00 0.00 C ATOM 1091 OG SER A 69 -7.722 -9.401 4.217 1.00 0.00 O ATOM 0 H SER A 69 -6.040 -6.470 6.046 1.00 0.00 H new ATOM 0 HA SER A 69 -5.376 -9.099 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.666 -8.124 5.828 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.633 -7.347 4.257 1.00 0.00 H new ATOM 0 HG SER A 69 -8.702 -9.402 4.198 1.00 0.00 H new ATOM 1097 N TRP A 70 -5.018 -6.820 2.961 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.493 -6.608 1.620 1.00 0.00 C ATOM 1099 C TRP A 70 -3.039 -7.043 1.564 1.00 0.00 C ATOM 1100 O TRP A 70 -2.627 -7.773 0.663 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.609 -5.137 1.211 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.979 -4.558 1.406 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -7.155 -5.240 1.550 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -6.315 -3.168 1.470 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -8.193 -4.360 1.718 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.706 -3.084 1.664 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -5.575 -1.988 1.384 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -8.368 -1.868 1.775 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -6.237 -0.781 1.495 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -7.620 -0.728 1.686 1.00 0.00 C ATOM 0 H TRP A 70 -5.263 -5.966 3.462 1.00 0.00 H new ATOM 0 HA TRP A 70 -5.081 -7.205 0.923 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.893 -4.552 1.788 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.330 -5.039 0.162 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.252 -6.315 1.534 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.170 -4.616 1.860 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.506 -2.018 1.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.436 -1.825 1.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -5.675 0.139 1.433 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.107 0.233 1.765 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.273 -6.612 2.557 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.867 -6.970 2.643 1.00 0.00 C ATOM 1123 C VAL A 71 -0.724 -8.467 2.875 1.00 0.00 C ATOM 1124 O VAL A 71 0.111 -9.120 2.264 1.00 0.00 O ATOM 1125 CB VAL A 71 -0.154 -6.225 3.788 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.349 -6.457 3.733 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.471 -4.740 3.757 1.00 0.00 C ATOM 0 H VAL A 71 -2.604 -6.014 3.314 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.403 -6.683 1.699 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.526 -6.628 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.830 -5.921 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.556 -7.523 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.739 -6.093 2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.046 -4.240 4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.141 -4.317 2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.546 -4.595 3.864 1.00 0.00 H new ATOM 1137 N SER A 72 -1.563 -9.002 3.753 1.00 0.00 N ATOM 1138 CA SER A 72 -1.530 -10.418 4.095 1.00 0.00 C ATOM 1139 C SER A 72 -1.830 -11.295 2.880 1.00 0.00 C ATOM 1140 O SER A 72 -1.246 -12.369 2.723 1.00 0.00 O ATOM 1141 CB SER A 72 -2.522 -10.701 5.222 1.00 0.00 C ATOM 1142 OG SER A 72 -2.158 -9.997 6.397 1.00 0.00 O ATOM 0 H SER A 72 -2.281 -8.471 4.245 1.00 0.00 H new ATOM 0 HA SER A 72 -0.524 -10.665 4.434 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.525 -10.408 4.912 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.551 -11.771 5.427 1.00 0.00 H new ATOM 0 HG SER A 72 -2.461 -9.068 6.329 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.723 -10.824 2.013 1.00 0.00 N ATOM 1149 CA ALA A 73 -3.064 -11.553 0.795 1.00 0.00 C ATOM 1150 C ALA A 73 -1.897 -11.523 -0.181 1.00 0.00 C ATOM 1151 O ALA A 73 -1.645 -12.489 -0.902 1.00 0.00 O ATOM 1152 CB ALA A 73 -4.315 -10.967 0.154 1.00 0.00 C ATOM 0 H ALA A 73 -3.222 -9.943 2.131 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.270 -12.591 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.554 -11.523 -0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.149 -11.037 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.139 -9.921 -0.098 1.00 0.00 H new ATOM 1158 N LEU A 74 -1.175 -10.412 -0.177 1.00 0.00 N ATOM 1159 CA LEU A 74 -0.005 -10.238 -1.027 1.00 0.00 C ATOM 1160 C LEU A 74 1.191 -10.992 -0.452 1.00 0.00 C ATOM 1161 O LEU A 74 2.080 -11.432 -1.180 1.00 0.00 O ATOM 1162 CB LEU A 74 0.319 -8.745 -1.146 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.741 -7.909 -1.868 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.428 -6.428 -1.737 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.826 -8.314 -3.332 1.00 0.00 C ATOM 0 H LEU A 74 -1.383 -9.607 0.414 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.220 -10.642 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.461 -8.338 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.267 -8.635 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.709 -8.096 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.191 -5.848 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.415 -6.151 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.547 -6.222 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.584 -7.711 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.140 -8.153 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.095 -9.368 -3.403 1.00 0.00 H new ATOM 1177 N ALA A 75 1.185 -11.152 0.861 1.00 0.00 N ATOM 1178 CA ALA A 75 2.288 -11.770 1.583 1.00 0.00 C ATOM 1179 C ALA A 75 2.173 -13.284 1.622 1.00 0.00 C ATOM 1180 O ALA A 75 2.919 -13.945 2.346 1.00 0.00 O ATOM 1181 CB ALA A 75 2.366 -11.216 2.994 1.00 0.00 C ATOM 0 H ALA A 75 0.413 -10.857 1.459 1.00 0.00 H new ATOM 0 HA ALA A 75 3.204 -11.527 1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.195 -11.686 3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.525 -10.138 2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.434 -11.425 3.519 1.00 0.00 H new ATOM 1187 N GLU A 76 1.215 -13.825 0.875 1.00 0.00 N ATOM 1188 CA GLU A 76 0.971 -15.262 0.850 1.00 0.00 C ATOM 1189 C GLU A 76 0.576 -15.719 2.250 1.00 0.00 C ATOM 1190 O GLU A 76 1.274 -16.506 2.889 1.00 0.00 O ATOM 1191 CB GLU A 76 2.210 -16.021 0.346 1.00 0.00 C ATOM 1192 CG GLU A 76 1.895 -17.198 -0.569 1.00 0.00 C ATOM 1193 CD GLU A 76 1.082 -18.279 0.111 1.00 0.00 C ATOM 1194 OE1 GLU A 76 -0.159 -18.138 0.178 1.00 0.00 O ATOM 1195 OE2 GLU A 76 1.676 -19.278 0.569 1.00 0.00 O ATOM 0 H GLU A 76 0.592 -13.285 0.275 1.00 0.00 H new ATOM 0 HA GLU A 76 0.158 -15.481 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.856 -15.324 -0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.773 -16.385 1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.350 -16.837 -1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.828 -17.628 -0.932 1.00 0.00 H new ATOM 1202 N HIS A 77 -0.504 -15.115 2.737 1.00 0.00 N ATOM 1203 CA HIS A 77 -1.126 -15.424 4.036 1.00 0.00 C ATOM 1204 C HIS A 77 -0.156 -15.232 5.207 1.00 0.00 C ATOM 1205 O HIS A 77 -0.416 -15.692 6.317 1.00 0.00 O ATOM 1206 CB HIS A 77 -1.779 -16.834 4.069 1.00 0.00 C ATOM 1207 CG HIS A 77 -0.844 -18.015 4.165 1.00 0.00 C ATOM 1208 ND1 HIS A 77 -0.248 -18.418 5.344 1.00 0.00 N ATOM 1209 CD2 HIS A 77 -0.429 -18.898 3.222 1.00 0.00 C ATOM 1210 CE1 HIS A 77 0.490 -19.488 5.120 1.00 0.00 C ATOM 1211 NE2 HIS A 77 0.396 -19.801 3.845 1.00 0.00 N ATOM 0 H HIS A 77 -0.990 -14.375 2.230 1.00 0.00 H new ATOM 0 HA HIS A 77 -1.931 -14.699 4.158 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.462 -16.872 4.917 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.382 -16.950 3.168 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -0.361 -17.959 6.248 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.698 -18.892 2.176 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.073 -20.018 5.858 1.00 0.00 H new ATOM 1220 N GLY A 78 0.939 -14.518 4.963 1.00 0.00 N ATOM 1221 CA GLY A 78 1.888 -14.228 6.022 1.00 0.00 C ATOM 1222 C GLY A 78 3.078 -15.164 6.008 1.00 0.00 C ATOM 1223 O GLY A 78 3.875 -15.181 6.945 1.00 0.00 O ATOM 0 H GLY A 78 1.186 -14.135 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.237 -13.200 5.921 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.385 -14.300 6.986 1.00 0.00 H new ATOM 1227 N LYS A 79 3.197 -15.949 4.950 1.00 0.00 N ATOM 1228 CA LYS A 79 4.309 -16.876 4.814 1.00 0.00 C ATOM 1229 C LYS A 79 5.456 -16.227 4.044 1.00 0.00 C ATOM 1230 O LYS A 79 6.615 -16.301 4.452 1.00 0.00 O ATOM 1231 CB LYS A 79 3.832 -18.164 4.118 1.00 0.00 C ATOM 1232 CG LYS A 79 4.934 -19.180 3.823 1.00 0.00 C ATOM 1233 CD LYS A 79 5.614 -18.899 2.489 1.00 0.00 C ATOM 1234 CE LYS A 79 6.818 -19.795 2.277 1.00 0.00 C ATOM 1235 NZ LYS A 79 7.536 -19.480 1.011 1.00 0.00 N ATOM 0 H LYS A 79 2.537 -15.963 4.172 1.00 0.00 H new ATOM 0 HA LYS A 79 4.680 -17.136 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.077 -18.640 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.345 -17.895 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.675 -19.156 4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.510 -20.184 3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.901 -19.048 1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.925 -17.855 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.503 -19.686 3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.496 -20.836 2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.516 -19.824 1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.055 -19.945 0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.539 -18.451 0.861 1.00 0.00 H new ATOM 1249 N ASP A 80 5.122 -15.574 2.944 1.00 0.00 N ATOM 1250 CA ASP A 80 6.127 -15.018 2.044 1.00 0.00 C ATOM 1251 C ASP A 80 6.269 -13.521 2.258 1.00 0.00 C ATOM 1252 O ASP A 80 6.715 -12.789 1.373 1.00 0.00 O ATOM 1253 CB ASP A 80 5.734 -15.307 0.600 1.00 0.00 C ATOM 1254 CG ASP A 80 6.849 -15.951 -0.199 1.00 0.00 C ATOM 1255 OD1 ASP A 80 7.433 -16.946 0.281 1.00 0.00 O ATOM 1256 OD2 ASP A 80 7.139 -15.468 -1.317 1.00 0.00 O ATOM 0 H ASP A 80 4.159 -15.414 2.649 1.00 0.00 H new ATOM 0 HA ASP A 80 7.088 -15.486 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.863 -15.962 0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.439 -14.376 0.116 1.00 0.00 H new ATOM 1261 N ALA A 81 5.918 -13.077 3.459 1.00 0.00 N ATOM 1262 CA ALA A 81 6.028 -11.671 3.827 1.00 0.00 C ATOM 1263 C ALA A 81 7.490 -11.235 3.864 1.00 0.00 C ATOM 1264 O ALA A 81 7.799 -10.055 4.015 1.00 0.00 O ATOM 1265 CB ALA A 81 5.368 -11.426 5.177 1.00 0.00 C ATOM 0 H ALA A 81 5.552 -13.676 4.199 1.00 0.00 H new ATOM 0 HA ALA A 81 5.513 -11.077 3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.457 -10.372 5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.314 -11.698 5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.860 -12.032 5.938 1.00 0.00 H new ATOM 1271 N LEU A 82 8.384 -12.200 3.707 1.00 0.00 N ATOM 1272 CA LEU A 82 9.812 -11.928 3.722 1.00 0.00 C ATOM 1273 C LEU A 82 10.360 -11.853 2.303 1.00 0.00 C ATOM 1274 O LEU A 82 11.556 -11.647 2.091 1.00 0.00 O ATOM 1275 CB LEU A 82 10.553 -12.989 4.551 1.00 0.00 C ATOM 1276 CG LEU A 82 10.160 -14.450 4.287 1.00 0.00 C ATOM 1277 CD1 LEU A 82 10.723 -14.952 2.962 1.00 0.00 C ATOM 1278 CD2 LEU A 82 10.628 -15.336 5.433 1.00 0.00 C ATOM 0 H LEU A 82 8.144 -13.181 3.567 1.00 0.00 H new ATOM 0 HA LEU A 82 9.976 -10.959 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.622 -12.883 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.389 -12.775 5.607 1.00 0.00 H new ATOM 0 HG LEU A 82 9.073 -14.497 4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.424 -15.989 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.337 -14.340 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.811 -14.887 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.343 -16.369 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.712 -15.270 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.164 -15.005 6.362 1.00 0.00 H new ATOM 1290 N LYS A 83 9.473 -12.021 1.335 1.00 0.00 N ATOM 1291 CA LYS A 83 9.860 -11.984 -0.063 1.00 0.00 C ATOM 1292 C LYS A 83 9.220 -10.780 -0.745 1.00 0.00 C ATOM 1293 O LYS A 83 9.819 -10.166 -1.625 1.00 0.00 O ATOM 1294 CB LYS A 83 9.448 -13.293 -0.749 1.00 0.00 C ATOM 1295 CG LYS A 83 10.176 -13.585 -2.057 1.00 0.00 C ATOM 1296 CD LYS A 83 9.602 -12.806 -3.233 1.00 0.00 C ATOM 1297 CE LYS A 83 8.155 -13.185 -3.515 1.00 0.00 C ATOM 1298 NZ LYS A 83 7.990 -14.652 -3.697 1.00 0.00 N ATOM 0 H LYS A 83 8.479 -12.184 1.494 1.00 0.00 H new ATOM 0 HA LYS A 83 10.943 -11.883 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.623 -14.119 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.376 -13.263 -0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.232 -13.339 -1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.118 -14.652 -2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.663 -11.738 -3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.206 -12.993 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.525 -12.848 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.812 -12.667 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.269 -14.833 -4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.895 -15.069 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.691 -15.082 -2.798 1.00 0.00 H new ATOM 1312 N VAL A 84 8.004 -10.442 -0.324 1.00 0.00 N ATOM 1313 CA VAL A 84 7.285 -9.296 -0.874 1.00 0.00 C ATOM 1314 C VAL A 84 8.078 -8.011 -0.658 1.00 0.00 C ATOM 1315 O VAL A 84 8.273 -7.584 0.477 1.00 0.00 O ATOM 1316 CB VAL A 84 5.893 -9.147 -0.227 1.00 0.00 C ATOM 1317 CG1 VAL A 84 5.104 -8.025 -0.884 1.00 0.00 C ATOM 1318 CG2 VAL A 84 5.128 -10.456 -0.300 1.00 0.00 C ATOM 0 H VAL A 84 7.494 -10.948 0.400 1.00 0.00 H new ATOM 0 HA VAL A 84 7.160 -9.472 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 84 6.033 -8.889 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.126 -7.941 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.644 -7.085 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.975 -8.243 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.148 -10.331 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.003 -10.747 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.682 -11.231 0.229 1.00 0.00 H new ATOM 1328 N THR A 85 8.523 -7.404 -1.752 1.00 0.00 N ATOM 1329 CA THR A 85 9.393 -6.234 -1.701 1.00 0.00 C ATOM 1330 C THR A 85 8.792 -5.095 -0.870 1.00 0.00 C ATOM 1331 O THR A 85 9.492 -4.475 -0.071 1.00 0.00 O ATOM 1332 CB THR A 85 9.703 -5.733 -3.123 1.00 0.00 C ATOM 1333 OG1 THR A 85 10.191 -6.824 -3.915 1.00 0.00 O ATOM 1334 CG2 THR A 85 10.739 -4.616 -3.104 1.00 0.00 C ATOM 0 H THR A 85 8.292 -7.708 -2.698 1.00 0.00 H new ATOM 0 HA THR A 85 10.316 -6.547 -1.212 1.00 0.00 H new ATOM 0 HB THR A 85 8.784 -5.336 -3.554 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.388 -6.508 -4.822 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.936 -4.285 -4.124 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.361 -3.779 -2.517 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.663 -4.984 -2.658 1.00 0.00 H new ATOM 1342 N ALA A 86 7.501 -4.834 -1.049 1.00 0.00 N ATOM 1343 CA ALA A 86 6.827 -3.757 -0.318 1.00 0.00 C ATOM 1344 C ALA A 86 6.911 -3.967 1.195 1.00 0.00 C ATOM 1345 O ALA A 86 7.134 -3.025 1.958 1.00 0.00 O ATOM 1346 CB ALA A 86 5.369 -3.654 -0.752 1.00 0.00 C ATOM 0 H ALA A 86 6.899 -5.349 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 86 7.339 -2.825 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.881 -2.850 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.321 -3.442 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.861 -4.596 -0.546 1.00 0.00 H new ATOM 1352 N LEU A 87 6.775 -5.212 1.618 1.00 0.00 N ATOM 1353 CA LEU A 87 6.712 -5.531 3.035 1.00 0.00 C ATOM 1354 C LEU A 87 8.125 -5.705 3.572 1.00 0.00 C ATOM 1355 O LEU A 87 8.453 -5.231 4.660 1.00 0.00 O ATOM 1356 CB LEU A 87 5.871 -6.800 3.254 1.00 0.00 C ATOM 1357 CG LEU A 87 5.335 -7.029 4.678 1.00 0.00 C ATOM 1358 CD1 LEU A 87 6.436 -7.477 5.624 1.00 0.00 C ATOM 1359 CD2 LEU A 87 4.668 -5.769 5.206 1.00 0.00 C ATOM 0 H LEU A 87 6.706 -6.020 1.000 1.00 0.00 H new ATOM 0 HA LEU A 87 6.231 -4.717 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.022 -6.770 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.475 -7.663 2.974 1.00 0.00 H new ATOM 0 HG LEU A 87 4.594 -7.827 4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.020 -7.629 6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.867 -8.411 5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.212 -6.713 5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.295 -5.950 6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.393 -4.955 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.837 -5.497 4.555 1.00 0.00 H new ATOM 1371 N LYS A 88 8.957 -6.369 2.784 1.00 0.00 N ATOM 1372 CA LYS A 88 10.356 -6.562 3.124 1.00 0.00 C ATOM 1373 C LYS A 88 11.043 -5.212 3.292 1.00 0.00 C ATOM 1374 O LYS A 88 11.898 -5.043 4.162 1.00 0.00 O ATOM 1375 CB LYS A 88 11.050 -7.384 2.033 1.00 0.00 C ATOM 1376 CG LYS A 88 12.536 -7.605 2.272 1.00 0.00 C ATOM 1377 CD LYS A 88 13.160 -8.417 1.150 1.00 0.00 C ATOM 1378 CE LYS A 88 14.667 -8.531 1.310 1.00 0.00 C ATOM 1379 NZ LYS A 88 15.051 -9.286 2.531 1.00 0.00 N ATOM 0 H LYS A 88 8.682 -6.787 1.895 1.00 0.00 H new ATOM 0 HA LYS A 88 10.423 -7.106 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.558 -8.353 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.918 -6.881 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.041 -6.642 2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.681 -8.121 3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.719 -9.414 1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 88 12.930 -7.951 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.086 -9.025 0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.102 -7.532 1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.083 -9.410 2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.748 -8.759 3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.590 -10.218 2.522 1.00 0.00 H new ATOM 1393 N LYS A 89 10.645 -4.247 2.466 1.00 0.00 N ATOM 1394 CA LYS A 89 11.181 -2.896 2.570 1.00 0.00 C ATOM 1395 C LYS A 89 10.777 -2.290 3.891 1.00 0.00 C ATOM 1396 O LYS A 89 11.618 -1.814 4.634 1.00 0.00 O ATOM 1397 CB LYS A 89 10.678 -2.002 1.437 1.00 0.00 C ATOM 1398 CG LYS A 89 11.410 -0.672 1.329 1.00 0.00 C ATOM 1399 CD LYS A 89 12.895 -0.863 1.058 1.00 0.00 C ATOM 1400 CE LYS A 89 13.605 0.471 0.880 1.00 0.00 C ATOM 1401 NZ LYS A 89 13.463 1.344 2.077 1.00 0.00 N ATOM 0 H LYS A 89 9.958 -4.376 1.723 1.00 0.00 H new ATOM 0 HA LYS A 89 12.267 -2.963 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.778 -2.538 0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.615 -1.810 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.968 -0.078 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.279 -0.109 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.349 -1.411 1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.027 -1.469 0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.663 0.295 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.200 0.984 0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.108 2.156 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.483 1.686 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.699 0.801 2.932 1.00 0.00 H new ATOM 1415 N TYR A 90 9.484 -2.329 4.182 1.00 0.00 N ATOM 1416 CA TYR A 90 8.960 -1.757 5.410 1.00 0.00 C ATOM 1417 C TYR A 90 9.625 -2.396 6.630 1.00 0.00 C ATOM 1418 O TYR A 90 10.062 -1.704 7.545 1.00 0.00 O ATOM 1419 CB TYR A 90 7.441 -1.945 5.469 1.00 0.00 C ATOM 1420 CG TYR A 90 6.775 -1.193 6.600 1.00 0.00 C ATOM 1421 CD1 TYR A 90 6.503 0.161 6.486 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.417 -1.840 7.777 1.00 0.00 C ATOM 1423 CE1 TYR A 90 5.898 0.855 7.513 1.00 0.00 C ATOM 1424 CE2 TYR A 90 5.808 -1.151 8.809 1.00 0.00 C ATOM 1425 CZ TYR A 90 5.551 0.194 8.672 1.00 0.00 C ATOM 1426 OH TYR A 90 4.949 0.885 9.696 1.00 0.00 O ATOM 0 H TYR A 90 8.778 -2.753 3.580 1.00 0.00 H new ATOM 0 HA TYR A 90 9.184 -0.690 5.421 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.007 -1.619 4.524 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.220 -3.007 5.572 1.00 0.00 H new ATOM 0 HD1 TYR A 90 6.769 0.681 5.578 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.617 -2.896 7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.697 1.911 7.410 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.535 -1.666 9.718 1.00 0.00 H new ATOM 0 HH TYR A 90 4.768 0.274 10.441 1.00 0.00 H new ATOM 1436 N ARG A 91 9.732 -3.716 6.620 1.00 0.00 N ATOM 1437 CA ARG A 91 10.287 -4.443 7.753 1.00 0.00 C ATOM 1438 C ARG A 91 11.775 -4.135 7.933 1.00 0.00 C ATOM 1439 O ARG A 91 12.245 -3.953 9.055 1.00 0.00 O ATOM 1440 CB ARG A 91 10.079 -5.943 7.569 1.00 0.00 C ATOM 1441 CG ARG A 91 10.246 -6.745 8.852 1.00 0.00 C ATOM 1442 CD ARG A 91 9.099 -6.480 9.816 1.00 0.00 C ATOM 1443 NE ARG A 91 9.300 -7.118 11.119 1.00 0.00 N ATOM 1444 CZ ARG A 91 8.471 -8.028 11.634 1.00 0.00 C ATOM 1445 NH1 ARG A 91 7.453 -8.491 10.921 1.00 0.00 N ATOM 1446 NH2 ARG A 91 8.669 -8.491 12.862 1.00 0.00 N ATOM 0 H ARG A 91 9.442 -4.306 5.840 1.00 0.00 H new ATOM 0 HA ARG A 91 9.763 -4.118 8.652 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.080 -6.116 7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.787 -6.311 6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.289 -7.808 8.617 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.192 -6.485 9.327 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.987 -5.405 9.955 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.169 -6.843 9.377 1.00 0.00 H new ATOM 0 HE ARG A 91 10.120 -6.852 11.664 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.299 -8.152 9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.824 -9.187 11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.456 -8.151 13.414 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.034 -9.187 13.253 1.00 0.00 H new ATOM 1460 N GLN A 92 12.512 -4.071 6.832 1.00 0.00 N ATOM 1461 CA GLN A 92 13.941 -3.785 6.888 1.00 0.00 C ATOM 1462 C GLN A 92 14.183 -2.292 7.107 1.00 0.00 C ATOM 1463 O GLN A 92 15.194 -1.891 7.683 1.00 0.00 O ATOM 1464 CB GLN A 92 14.626 -4.255 5.602 1.00 0.00 C ATOM 1465 CG GLN A 92 16.124 -3.982 5.557 1.00 0.00 C ATOM 1466 CD GLN A 92 16.883 -4.642 6.694 1.00 0.00 C ATOM 1467 OE1 GLN A 92 17.338 -5.779 6.576 1.00 0.00 O ATOM 1468 NE2 GLN A 92 17.030 -3.930 7.798 1.00 0.00 N ATOM 0 H GLN A 92 12.146 -4.213 5.891 1.00 0.00 H new ATOM 0 HA GLN A 92 14.370 -4.328 7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.460 -5.326 5.485 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.153 -3.764 4.751 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.524 -4.337 4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.293 -2.906 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.637 -2.990 7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.536 -4.320 8.593 1.00 0.00 H new ATOM 1477 N LEU A 93 13.243 -1.479 6.654 1.00 0.00 N ATOM 1478 CA LEU A 93 13.323 -0.037 6.825 1.00 0.00 C ATOM 1479 C LEU A 93 13.282 0.332 8.310 1.00 0.00 C ATOM 1480 O LEU A 93 13.944 1.276 8.746 1.00 0.00 O ATOM 1481 CB LEU A 93 12.183 0.639 6.048 1.00 0.00 C ATOM 1482 CG LEU A 93 12.112 2.161 6.174 1.00 0.00 C ATOM 1483 CD1 LEU A 93 13.361 2.808 5.593 1.00 0.00 C ATOM 1484 CD2 LEU A 93 10.866 2.689 5.483 1.00 0.00 C ATOM 0 H LEU A 93 12.409 -1.796 6.161 1.00 0.00 H new ATOM 0 HA LEU A 93 14.272 0.321 6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.284 0.384 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.236 0.219 6.388 1.00 0.00 H new ATOM 0 HG LEU A 93 12.058 2.418 7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.290 3.891 5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.239 2.451 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.450 2.546 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.828 3.774 5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.894 2.420 4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.981 2.252 5.945 1.00 0.00 H new