USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 818 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 14 THR OG1 : rot -21:sc= 0.143 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -7.44! C(o=-7.4!,f=-9.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= -0.73 X(o=-0.73,f=-0.81) USER MOD Single : A 36 SER OG : rot -140:sc= -0.393 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.162 USER MOD Single : A 51 THR OG1 : rot -122:sc= -0.0821 USER MOD Single : A 53 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.205) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0708) USER MOD Single : A 69 THR OG1 : rot -20:sc= -0.192! USER MOD Single : A 73 ASN : amide:sc= -0.365 K(o=-0.36,f=-4.3!) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0135 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 113:sc= 0.94 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -1.45 K(o=-1.4,f=-0.04) USER MOD Single : A 99 ASN : amide:sc= -0.053 X(o=-0.053,f=-0.053) USER MOD Single : A 102 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00773) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 182 N THR A 14 -1.836 7.115 5.994 1.00 0.00 N ATOM 183 CA THR A 14 -2.181 6.301 4.836 1.00 0.00 C ATOM 184 C THR A 14 -3.049 5.113 5.238 1.00 0.00 C ATOM 185 O THR A 14 -3.182 4.803 6.421 1.00 0.00 O ATOM 186 CB THR A 14 -0.921 5.781 4.118 1.00 0.00 C ATOM 187 OG1 THR A 14 -0.049 5.145 5.059 1.00 0.00 O ATOM 188 CG2 THR A 14 -0.185 6.919 3.426 1.00 0.00 C ATOM 0 HA THR A 14 -2.740 6.943 4.155 1.00 0.00 H new ATOM 0 HB THR A 14 -1.231 5.058 3.364 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.253 5.466 5.962 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.701 6.528 2.926 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.842 7.383 2.690 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.114 7.662 4.165 1.00 0.00 H new ATOM 196 N ALA A 15 -3.636 4.453 4.245 1.00 0.00 N ATOM 197 CA ALA A 15 -4.489 3.298 4.496 1.00 0.00 C ATOM 198 C ALA A 15 -3.667 2.017 4.582 1.00 0.00 C ATOM 199 O ALA A 15 -2.636 1.867 3.925 1.00 0.00 O ATOM 200 CB ALA A 15 -5.547 3.177 3.409 1.00 0.00 C ATOM 0 H ALA A 15 -3.537 4.698 3.260 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.985 3.445 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.177 2.310 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.162 4.077 3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.062 3.057 2.441 1.00 0.00 H new ATOM 206 N PRO A 16 -4.130 1.070 5.411 1.00 0.00 N ATOM 207 CA PRO A 16 -3.452 -0.216 5.603 1.00 0.00 C ATOM 208 C PRO A 16 -3.546 -1.110 4.371 1.00 0.00 C ATOM 209 O PRO A 16 -4.369 -0.879 3.485 1.00 0.00 O ATOM 210 CB PRO A 16 -4.206 -0.843 6.778 1.00 0.00 C ATOM 211 CG PRO A 16 -5.557 -0.218 6.738 1.00 0.00 C ATOM 212 CD PRO A 16 -5.352 1.181 6.225 1.00 0.00 C ATOM 0 HA PRO A 16 -2.384 -0.091 5.783 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.268 -1.926 6.676 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.704 -0.640 7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.227 -0.778 6.086 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.011 -0.208 7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.201 1.520 5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.228 1.894 7.040 1.00 0.00 H new ATOM 220 N VAL A 17 -2.697 -2.132 4.321 1.00 0.00 N ATOM 221 CA VAL A 17 -2.686 -3.062 3.199 1.00 0.00 C ATOM 222 C VAL A 17 -2.654 -4.508 3.683 1.00 0.00 C ATOM 223 O VAL A 17 -1.590 -5.050 3.978 1.00 0.00 O ATOM 224 CB VAL A 17 -1.478 -2.814 2.276 1.00 0.00 C ATOM 225 CG1 VAL A 17 -1.506 -3.768 1.092 1.00 0.00 C ATOM 226 CG2 VAL A 17 -1.455 -1.368 1.806 1.00 0.00 C ATOM 0 H VAL A 17 -2.008 -2.336 5.045 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.604 -2.891 2.637 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.566 -3.002 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.645 -3.578 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.470 -4.796 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.423 -3.615 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.595 -1.211 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.371 -1.149 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.383 -0.706 2.669 1.00 0.00 H new ATOM 236 N ALA A 18 -3.828 -5.126 3.762 1.00 0.00 N ATOM 237 CA ALA A 18 -3.934 -6.510 4.208 1.00 0.00 C ATOM 238 C ALA A 18 -4.398 -7.418 3.074 1.00 0.00 C ATOM 239 O ALA A 18 -5.538 -7.325 2.618 1.00 0.00 O ATOM 240 CB ALA A 18 -4.885 -6.611 5.391 1.00 0.00 C ATOM 0 H ALA A 18 -4.719 -4.690 3.523 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.944 -6.842 4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.955 -7.650 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.510 -6.000 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.872 -6.256 5.096 1.00 0.00 H new ATOM 246 N LEU A 19 -3.508 -8.295 2.623 1.00 0.00 N ATOM 247 CA LEU A 19 -3.827 -9.220 1.541 1.00 0.00 C ATOM 248 C LEU A 19 -4.117 -10.615 2.085 1.00 0.00 C ATOM 249 O LEU A 19 -4.013 -10.857 3.288 1.00 0.00 O ATOM 250 CB LEU A 19 -2.672 -9.281 0.539 1.00 0.00 C ATOM 251 CG LEU A 19 -2.551 -8.095 -0.418 1.00 0.00 C ATOM 252 CD1 LEU A 19 -1.367 -8.283 -1.354 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.837 -7.915 -1.211 1.00 0.00 C ATOM 0 H LEU A 19 -2.560 -8.385 2.989 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.721 -8.854 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.739 -9.370 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.778 -10.190 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.383 -7.194 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.297 -7.429 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.450 -8.361 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.505 -9.194 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.732 -7.066 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.037 -8.817 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.665 -7.733 -0.526 1.00 0.00 H new ATOM 265 N ARG A 20 -4.479 -11.530 1.192 1.00 0.00 N ATOM 266 CA ARG A 20 -4.783 -12.901 1.583 1.00 0.00 C ATOM 267 C ARG A 20 -3.927 -13.892 0.799 1.00 0.00 C ATOM 268 O ARG A 20 -3.862 -13.834 -0.429 1.00 0.00 O ATOM 269 CB ARG A 20 -6.266 -13.201 1.358 1.00 0.00 C ATOM 270 CG ARG A 20 -6.674 -14.603 1.779 1.00 0.00 C ATOM 271 CD ARG A 20 -8.164 -14.684 2.076 1.00 0.00 C ATOM 272 NE ARG A 20 -8.973 -14.400 0.894 1.00 0.00 N ATOM 273 CZ ARG A 20 -10.250 -14.039 0.948 1.00 0.00 C ATOM 274 NH1 ARG A 20 -10.860 -13.918 2.119 1.00 0.00 N ATOM 275 NH2 ARG A 20 -10.921 -13.798 -0.172 1.00 0.00 N ATOM 0 H ARG A 20 -4.569 -11.347 0.193 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.555 -13.010 2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.863 -12.476 1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.499 -13.065 0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.420 -15.310 0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.109 -14.897 2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.406 -15.679 2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.415 -13.976 2.866 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.534 -14.483 -0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.348 -14.102 2.982 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.841 -13.641 2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.456 -13.890 -1.075 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.902 -13.521 -0.129 1.00 0.00 H new ATOM 289 N GLU A 21 -3.273 -14.799 1.517 1.00 0.00 N ATOM 290 CA GLU A 21 -2.421 -15.802 0.888 1.00 0.00 C ATOM 291 C GLU A 21 -3.258 -16.930 0.292 1.00 0.00 C ATOM 292 O GLU A 21 -4.066 -17.549 0.981 1.00 0.00 O ATOM 293 CB GLU A 21 -1.429 -16.370 1.904 1.00 0.00 C ATOM 294 CG GLU A 21 -2.066 -17.300 2.923 1.00 0.00 C ATOM 295 CD GLU A 21 -2.272 -18.702 2.384 1.00 0.00 C ATOM 296 OE1 GLU A 21 -1.447 -19.149 1.560 1.00 0.00 O ATOM 297 OE2 GLU A 21 -3.259 -19.353 2.787 1.00 0.00 O ATOM 0 H GLU A 21 -3.316 -14.860 2.534 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.868 -15.319 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.646 -16.910 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.947 -15.545 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.436 -17.345 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.027 -16.889 3.234 1.00 0.00 H new ATOM 304 N GLY A 22 -3.056 -17.191 -0.997 1.00 0.00 N ATOM 305 CA GLY A 22 -3.799 -18.243 -1.665 1.00 0.00 C ATOM 306 C GLY A 22 -3.758 -18.113 -3.175 1.00 0.00 C ATOM 307 O GLY A 22 -3.267 -19.004 -3.867 1.00 0.00 O ATOM 0 H GLY A 22 -2.392 -16.693 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.391 -19.212 -1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.836 -18.221 -1.330 1.00 0.00 H new ATOM 311 N GLU A 23 -4.276 -17.001 -3.686 1.00 0.00 N ATOM 312 CA GLU A 23 -4.298 -16.759 -5.124 1.00 0.00 C ATOM 313 C GLU A 23 -3.734 -15.380 -5.452 1.00 0.00 C ATOM 314 O GLU A 23 -3.623 -14.519 -4.580 1.00 0.00 O ATOM 315 CB GLU A 23 -5.725 -16.880 -5.661 1.00 0.00 C ATOM 316 CG GLU A 23 -6.358 -18.238 -5.409 1.00 0.00 C ATOM 317 CD GLU A 23 -6.030 -19.246 -6.493 1.00 0.00 C ATOM 318 OE1 GLU A 23 -4.838 -19.370 -6.847 1.00 0.00 O ATOM 319 OE2 GLU A 23 -6.964 -19.910 -6.988 1.00 0.00 O ATOM 0 H GLU A 23 -4.686 -16.253 -3.126 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.672 -17.511 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.344 -16.109 -5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.718 -16.685 -6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.017 -18.621 -4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.440 -18.123 -5.341 1.00 0.00 H new ATOM 326 N ASP A 24 -3.378 -15.179 -6.716 1.00 0.00 N ATOM 327 CA ASP A 24 -2.825 -13.906 -7.162 1.00 0.00 C ATOM 328 C ASP A 24 -3.828 -12.775 -6.952 1.00 0.00 C ATOM 329 O ASP A 24 -4.948 -12.822 -7.462 1.00 0.00 O ATOM 330 CB ASP A 24 -2.429 -13.985 -8.637 1.00 0.00 C ATOM 331 CG ASP A 24 -1.253 -14.913 -8.871 1.00 0.00 C ATOM 332 OD1 ASP A 24 -1.455 -16.146 -8.841 1.00 0.00 O ATOM 333 OD2 ASP A 24 -0.132 -14.408 -9.085 1.00 0.00 O ATOM 0 H ASP A 24 -3.463 -15.882 -7.450 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.936 -13.696 -6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.282 -14.330 -9.221 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.178 -12.987 -8.997 1.00 0.00 H new ATOM 338 N LEU A 25 -3.419 -11.760 -6.199 1.00 0.00 N ATOM 339 CA LEU A 25 -4.281 -10.617 -5.920 1.00 0.00 C ATOM 340 C LEU A 25 -4.142 -9.553 -7.004 1.00 0.00 C ATOM 341 O LEU A 25 -3.548 -8.498 -6.779 1.00 0.00 O ATOM 342 CB LEU A 25 -3.942 -10.018 -4.554 1.00 0.00 C ATOM 343 CG LEU A 25 -4.487 -10.769 -3.339 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.972 -11.051 -3.506 1.00 0.00 C ATOM 345 CD2 LEU A 25 -3.717 -12.064 -3.123 1.00 0.00 C ATOM 0 H LEU A 25 -2.495 -11.705 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.314 -10.966 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.857 -9.960 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.319 -8.996 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.355 -10.140 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.341 -11.586 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.512 -10.110 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.129 -11.660 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.118 -12.585 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.816 -12.698 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.664 -11.838 -2.956 1.00 0.00 H new ATOM 357 N SER A 26 -4.694 -9.836 -8.179 1.00 0.00 N ATOM 358 CA SER A 26 -4.630 -8.904 -9.299 1.00 0.00 C ATOM 359 C SER A 26 -5.772 -7.894 -9.231 1.00 0.00 C ATOM 360 O SER A 26 -5.553 -6.685 -9.312 1.00 0.00 O ATOM 361 CB SER A 26 -4.683 -9.663 -10.626 1.00 0.00 C ATOM 362 OG SER A 26 -3.414 -10.199 -10.958 1.00 0.00 O ATOM 0 H SER A 26 -5.191 -10.704 -8.381 1.00 0.00 H new ATOM 0 HA SER A 26 -3.686 -8.363 -9.236 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.415 -10.468 -10.559 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.017 -8.993 -11.418 1.00 0.00 H new ATOM 0 HG SER A 26 -3.475 -10.681 -11.809 1.00 0.00 H new ATOM 368 N LYS A 27 -6.992 -8.399 -9.082 1.00 0.00 N ATOM 369 CA LYS A 27 -8.170 -7.544 -9.002 1.00 0.00 C ATOM 370 C LYS A 27 -8.048 -6.556 -7.846 1.00 0.00 C ATOM 371 O LYS A 27 -8.459 -5.401 -7.957 1.00 0.00 O ATOM 372 CB LYS A 27 -9.431 -8.394 -8.830 1.00 0.00 C ATOM 373 CG LYS A 27 -10.686 -7.737 -9.378 1.00 0.00 C ATOM 374 CD LYS A 27 -10.887 -8.059 -10.850 1.00 0.00 C ATOM 375 CE LYS A 27 -12.008 -7.228 -11.454 1.00 0.00 C ATOM 376 NZ LYS A 27 -12.267 -7.594 -12.874 1.00 0.00 N ATOM 0 H LYS A 27 -7.191 -9.397 -9.014 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.243 -6.980 -9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.285 -9.352 -9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.575 -8.606 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.552 -8.074 -8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.619 -6.657 -9.247 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.961 -7.873 -11.394 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.116 -9.119 -10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.918 -7.368 -10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.750 -6.171 -11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.038 -7.005 -13.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.406 -7.436 -13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.538 -8.596 -12.930 1.00 0.00 H new ATOM 390 N LYS A 28 -7.479 -7.018 -6.737 1.00 0.00 N ATOM 391 CA LYS A 28 -7.300 -6.175 -5.561 1.00 0.00 C ATOM 392 C LYS A 28 -6.484 -4.932 -5.902 1.00 0.00 C ATOM 393 O LYS A 28 -6.909 -3.808 -5.640 1.00 0.00 O ATOM 394 CB LYS A 28 -6.609 -6.962 -4.445 1.00 0.00 C ATOM 395 CG LYS A 28 -7.575 -7.685 -3.523 1.00 0.00 C ATOM 396 CD LYS A 28 -7.003 -7.836 -2.123 1.00 0.00 C ATOM 397 CE LYS A 28 -8.068 -8.273 -1.130 1.00 0.00 C ATOM 398 NZ LYS A 28 -8.854 -7.118 -0.614 1.00 0.00 N ATOM 0 H LYS A 28 -7.134 -7.972 -6.628 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.285 -5.858 -5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.932 -7.690 -4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.999 -6.279 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.515 -7.135 -3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.802 -8.669 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.194 -8.567 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.571 -6.888 -1.801 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.740 -8.985 -1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.596 -8.792 -0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.569 -7.458 0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.216 -6.451 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.326 -6.637 -1.406 1.00 0.00 H new ATOM 412 N ASN A 29 -5.310 -5.143 -6.488 1.00 0.00 N ATOM 413 CA ASN A 29 -4.435 -4.039 -6.865 1.00 0.00 C ATOM 414 C ASN A 29 -5.197 -2.991 -7.670 1.00 0.00 C ATOM 415 O ASN A 29 -6.167 -3.291 -8.366 1.00 0.00 O ATOM 416 CB ASN A 29 -3.247 -4.557 -7.679 1.00 0.00 C ATOM 417 CG ASN A 29 -3.638 -4.939 -9.093 1.00 0.00 C ATOM 418 OD1 ASN A 29 -4.385 -4.222 -9.758 1.00 0.00 O ATOM 419 ND2 ASN A 29 -3.132 -6.074 -9.561 1.00 0.00 N ATOM 0 H ASN A 29 -4.943 -6.068 -6.712 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.066 -3.573 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.472 -3.791 -7.714 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.816 -5.424 -7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.359 -6.382 -10.507 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.516 -6.638 -8.975 1.00 0.00 H new ATOM 426 N PRO A 30 -4.749 -1.730 -7.574 1.00 0.00 N ATOM 427 CA PRO A 30 -3.596 -1.361 -6.748 1.00 0.00 C ATOM 428 C PRO A 30 -3.891 -1.473 -5.256 1.00 0.00 C ATOM 429 O PRO A 30 -4.887 -0.937 -4.769 1.00 0.00 O ATOM 430 CB PRO A 30 -3.337 0.098 -7.133 1.00 0.00 C ATOM 431 CG PRO A 30 -4.654 0.603 -7.612 1.00 0.00 C ATOM 432 CD PRO A 30 -5.335 -0.568 -8.264 1.00 0.00 C ATOM 0 HA PRO A 30 -2.745 -2.020 -6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.978 0.675 -6.280 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.577 0.173 -7.911 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.249 0.988 -6.784 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.524 1.422 -8.319 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.417 -0.527 -8.135 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.143 -0.599 -9.337 1.00 0.00 H new ATOM 440 N ILE A 31 -3.020 -2.172 -4.536 1.00 0.00 N ATOM 441 CA ILE A 31 -3.188 -2.353 -3.100 1.00 0.00 C ATOM 442 C ILE A 31 -2.580 -1.189 -2.325 1.00 0.00 C ATOM 443 O ILE A 31 -2.965 -0.919 -1.188 1.00 0.00 O ATOM 444 CB ILE A 31 -2.545 -3.667 -2.619 1.00 0.00 C ATOM 445 CG1 ILE A 31 -1.044 -3.664 -2.916 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.219 -4.860 -3.280 1.00 0.00 C ATOM 447 CD1 ILE A 31 -0.285 -4.764 -2.208 1.00 0.00 C ATOM 0 H ILE A 31 -2.191 -2.622 -4.924 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.261 -2.392 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.683 -3.748 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.895 -3.765 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.626 -2.700 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.753 -5.781 -2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.278 -4.868 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.109 -4.787 -4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.772 -4.700 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.404 -4.652 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.676 -5.733 -2.518 1.00 0.00 H new ATOM 459 N ALA A 32 -1.629 -0.502 -2.949 1.00 0.00 N ATOM 460 CA ALA A 32 -0.971 0.636 -2.320 1.00 0.00 C ATOM 461 C ALA A 32 -0.685 1.736 -3.337 1.00 0.00 C ATOM 462 O ALA A 32 -0.331 1.460 -4.483 1.00 0.00 O ATOM 463 CB ALA A 32 0.318 0.192 -1.643 1.00 0.00 C ATOM 0 H ALA A 32 -1.297 -0.714 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.644 1.042 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.799 1.052 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.091 -0.553 -0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.988 -0.241 -2.385 1.00 0.00 H new ATOM 469 N LYS A 33 -0.841 2.985 -2.910 1.00 0.00 N ATOM 470 CA LYS A 33 -0.599 4.128 -3.782 1.00 0.00 C ATOM 471 C LYS A 33 -0.229 5.364 -2.969 1.00 0.00 C ATOM 472 O LYS A 33 -0.828 5.636 -1.928 1.00 0.00 O ATOM 473 CB LYS A 33 -1.837 4.417 -4.634 1.00 0.00 C ATOM 474 CG LYS A 33 -2.991 5.013 -3.847 1.00 0.00 C ATOM 475 CD LYS A 33 -2.934 6.531 -3.836 1.00 0.00 C ATOM 476 CE LYS A 33 -4.084 7.127 -3.038 1.00 0.00 C ATOM 477 NZ LYS A 33 -5.333 7.210 -3.844 1.00 0.00 N ATOM 0 H LYS A 33 -1.134 3.231 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 33 0.237 3.882 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.564 5.102 -5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.169 3.491 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.936 4.687 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.965 4.640 -2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.986 6.857 -3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.968 6.905 -4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.264 6.520 -2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.808 8.123 -2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.093 7.621 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.169 7.810 -4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.611 6.257 -4.153 1.00 0.00 H new ATOM 491 N ILE A 34 0.760 6.110 -3.451 1.00 0.00 N ATOM 492 CA ILE A 34 1.207 7.318 -2.769 1.00 0.00 C ATOM 493 C ILE A 34 0.489 8.551 -3.309 1.00 0.00 C ATOM 494 O ILE A 34 0.375 8.736 -4.521 1.00 0.00 O ATOM 495 CB ILE A 34 2.727 7.518 -2.917 1.00 0.00 C ATOM 496 CG1 ILE A 34 3.436 6.164 -2.998 1.00 0.00 C ATOM 497 CG2 ILE A 34 3.269 8.337 -1.754 1.00 0.00 C ATOM 498 CD1 ILE A 34 4.926 6.276 -3.230 1.00 0.00 C ATOM 0 H ILE A 34 1.266 5.899 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 34 0.966 7.192 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 34 2.919 8.063 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.261 5.615 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.994 5.579 -3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.344 8.470 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.782 9.312 -1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.069 7.816 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.363 5.279 -3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.110 6.797 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.381 6.834 -2.411 1.00 0.00 H new ATOM 510 N HIS A 35 0.007 9.393 -2.400 1.00 0.00 N ATOM 511 CA HIS A 35 -0.698 10.611 -2.784 1.00 0.00 C ATOM 512 C HIS A 35 0.012 11.845 -2.237 1.00 0.00 C ATOM 513 O HIS A 35 0.212 11.973 -1.029 1.00 0.00 O ATOM 514 CB HIS A 35 -2.140 10.571 -2.278 1.00 0.00 C ATOM 515 CG HIS A 35 -2.269 10.066 -0.874 1.00 0.00 C ATOM 516 ND1 HIS A 35 -2.069 10.862 0.233 1.00 0.00 N ATOM 517 CD2 HIS A 35 -2.581 8.837 -0.401 1.00 0.00 C ATOM 518 CE1 HIS A 35 -2.251 10.145 1.327 1.00 0.00 C ATOM 519 NE2 HIS A 35 -2.563 8.912 0.970 1.00 0.00 N ATOM 0 H HIS A 35 0.092 9.254 -1.393 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.704 10.670 -3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.564 11.573 -2.335 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.731 9.937 -2.939 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -1.819 11.851 0.211 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.803 7.961 -0.992 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.160 10.505 2.341 1.00 0.00 H new ATOM 528 N SER A 36 0.390 12.751 -3.133 1.00 0.00 N ATOM 529 CA SER A 36 1.082 13.973 -2.740 1.00 0.00 C ATOM 530 C SER A 36 0.110 15.148 -2.667 1.00 0.00 C ATOM 531 O SER A 36 -0.998 15.084 -3.199 1.00 0.00 O ATOM 532 CB SER A 36 2.207 14.288 -3.728 1.00 0.00 C ATOM 533 OG SER A 36 3.373 13.540 -3.428 1.00 0.00 O ATOM 0 H SER A 36 0.229 12.662 -4.136 1.00 0.00 H new ATOM 0 HA SER A 36 1.511 13.816 -1.750 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.878 14.063 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.436 15.353 -3.696 1.00 0.00 H new ATOM 0 HG SER A 36 4.165 14.104 -3.553 1.00 0.00 H new ATOM 539 N ASP A 37 0.535 16.218 -2.006 1.00 0.00 N ATOM 540 CA ASP A 37 -0.295 17.408 -1.863 1.00 0.00 C ATOM 541 C ASP A 37 0.245 18.553 -2.715 1.00 0.00 C ATOM 542 O ASP A 37 -0.031 19.724 -2.449 1.00 0.00 O ATOM 543 CB ASP A 37 -0.364 17.836 -0.397 1.00 0.00 C ATOM 544 CG ASP A 37 -1.139 16.852 0.458 1.00 0.00 C ATOM 545 OD1 ASP A 37 -2.386 16.894 0.426 1.00 0.00 O ATOM 546 OD2 ASP A 37 -0.498 16.041 1.158 1.00 0.00 O ATOM 0 H ASP A 37 1.450 16.286 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.299 17.163 -2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.647 17.937 -0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.832 18.818 -0.330 1.00 0.00 H new ATOM 551 N LEU A 38 1.017 18.208 -3.739 1.00 0.00 N ATOM 552 CA LEU A 38 1.598 19.207 -4.630 1.00 0.00 C ATOM 553 C LEU A 38 1.312 18.866 -6.090 1.00 0.00 C ATOM 554 O LEU A 38 1.153 19.756 -6.925 1.00 0.00 O ATOM 555 CB LEU A 38 3.108 19.304 -4.404 1.00 0.00 C ATOM 556 CG LEU A 38 3.549 19.978 -3.104 1.00 0.00 C ATOM 557 CD1 LEU A 38 5.027 19.727 -2.848 1.00 0.00 C ATOM 558 CD2 LEU A 38 3.260 21.471 -3.152 1.00 0.00 C ATOM 0 H LEU A 38 1.255 17.244 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 38 1.140 20.170 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.524 18.297 -4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.546 19.850 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 38 2.980 19.545 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.323 20.214 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.206 18.655 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.613 20.132 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.580 21.934 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.802 21.920 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.190 21.630 -3.287 1.00 0.00 H new ATOM 570 N ALA A 39 1.246 17.573 -6.388 1.00 0.00 N ATOM 571 CA ALA A 39 0.975 17.116 -7.745 1.00 0.00 C ATOM 572 C ALA A 39 -0.429 17.512 -8.188 1.00 0.00 C ATOM 573 O ALA A 39 -0.608 18.117 -9.245 1.00 0.00 O ATOM 574 CB ALA A 39 1.154 15.607 -7.839 1.00 0.00 C ATOM 0 H ALA A 39 1.376 16.824 -5.708 1.00 0.00 H new ATOM 0 HA ALA A 39 1.688 17.599 -8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.948 15.279 -8.858 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.178 15.345 -7.573 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.464 15.115 -7.153 1.00 0.00 H new ATOM 580 N GLU A 40 -1.421 17.167 -7.374 1.00 0.00 N ATOM 581 CA GLU A 40 -2.810 17.487 -7.684 1.00 0.00 C ATOM 582 C GLU A 40 -3.198 18.844 -7.105 1.00 0.00 C ATOM 583 O GLU A 40 -4.379 19.136 -6.920 1.00 0.00 O ATOM 584 CB GLU A 40 -3.740 16.402 -7.138 1.00 0.00 C ATOM 585 CG GLU A 40 -5.063 16.305 -7.880 1.00 0.00 C ATOM 586 CD GLU A 40 -4.885 15.996 -9.353 1.00 0.00 C ATOM 587 OE1 GLU A 40 -3.981 15.202 -9.687 1.00 0.00 O ATOM 588 OE2 GLU A 40 -5.648 16.549 -10.173 1.00 0.00 O ATOM 0 H GLU A 40 -1.289 16.666 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.913 17.532 -8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.232 15.439 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.937 16.601 -6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.676 15.529 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.605 17.245 -7.773 1.00 0.00 H new ATOM 595 N GLU A 41 -2.195 19.669 -6.822 1.00 0.00 N ATOM 596 CA GLU A 41 -2.431 20.994 -6.262 1.00 0.00 C ATOM 597 C GLU A 41 -1.767 22.071 -7.116 1.00 0.00 C ATOM 598 O GLU A 41 -2.416 23.025 -7.547 1.00 0.00 O ATOM 599 CB GLU A 41 -1.905 21.068 -4.828 1.00 0.00 C ATOM 600 CG GLU A 41 -2.924 20.646 -3.783 1.00 0.00 C ATOM 601 CD GLU A 41 -3.901 21.754 -3.440 1.00 0.00 C ATOM 602 OE1 GLU A 41 -3.487 22.933 -3.443 1.00 0.00 O ATOM 603 OE2 GLU A 41 -5.079 21.443 -3.167 1.00 0.00 O ATOM 0 H GLU A 41 -1.212 19.443 -6.971 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.506 21.171 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.023 20.433 -4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.585 22.089 -4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.476 19.780 -4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.403 20.333 -2.878 1.00 0.00 H new ATOM 610 N ARG A 42 -0.469 21.912 -7.354 1.00 0.00 N ATOM 611 CA ARG A 42 0.284 22.870 -8.154 1.00 0.00 C ATOM 612 C ARG A 42 0.219 22.513 -9.636 1.00 0.00 C ATOM 613 O ARG A 42 -0.210 23.318 -10.461 1.00 0.00 O ATOM 614 CB ARG A 42 1.742 22.917 -7.693 1.00 0.00 C ATOM 615 CG ARG A 42 1.983 23.864 -6.529 1.00 0.00 C ATOM 616 CD ARG A 42 3.430 24.331 -6.481 1.00 0.00 C ATOM 617 NE ARG A 42 3.775 25.163 -7.631 1.00 0.00 N ATOM 618 CZ ARG A 42 3.448 26.446 -7.733 1.00 0.00 C ATOM 619 NH1 ARG A 42 2.772 27.042 -6.761 1.00 0.00 N ATOM 620 NH2 ARG A 42 3.798 27.137 -8.811 1.00 0.00 N ATOM 0 H ARG A 42 0.083 21.129 -7.004 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.166 23.853 -8.016 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.055 21.914 -7.405 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.370 23.219 -8.532 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.324 24.727 -6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.729 23.365 -5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.599 24.894 -5.563 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.090 23.464 -6.450 1.00 0.00 H new ATOM 0 HE ARG A 42 4.295 24.735 -8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.501 26.515 -5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.523 28.028 -6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.318 26.682 -9.561 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.547 28.122 -8.889 1.00 0.00 H new ATOM 634 N GLY A 43 0.648 21.298 -9.966 1.00 0.00 N ATOM 635 CA GLY A 43 0.631 20.855 -11.348 1.00 0.00 C ATOM 636 C GLY A 43 1.944 20.228 -11.772 1.00 0.00 C ATOM 637 O GLY A 43 2.469 20.533 -12.844 1.00 0.00 O ATOM 0 H GLY A 43 1.007 20.613 -9.301 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.174 20.133 -11.485 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.411 21.704 -11.996 1.00 0.00 H new ATOM 641 N LEU A 44 2.477 19.350 -10.930 1.00 0.00 N ATOM 642 CA LEU A 44 3.739 18.678 -11.222 1.00 0.00 C ATOM 643 C LEU A 44 3.503 17.222 -11.612 1.00 0.00 C ATOM 644 O LEU A 44 2.365 16.755 -11.653 1.00 0.00 O ATOM 645 CB LEU A 44 4.670 18.749 -10.011 1.00 0.00 C ATOM 646 CG LEU A 44 4.958 20.149 -9.467 1.00 0.00 C ATOM 647 CD1 LEU A 44 5.504 20.069 -8.050 1.00 0.00 C ATOM 648 CD2 LEU A 44 5.933 20.884 -10.375 1.00 0.00 C ATOM 0 H LEU A 44 2.055 19.086 -10.039 1.00 0.00 H new ATOM 0 HA LEU A 44 4.208 19.189 -12.063 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.236 18.151 -9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.618 18.283 -10.279 1.00 0.00 H new ATOM 0 HG LEU A 44 4.023 20.708 -9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.703 21.075 -7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.772 19.583 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.429 19.492 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.126 21.878 -9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.868 20.327 -10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.504 20.974 -11.373 1.00 0.00 H new ATOM 660 N LYS A 45 4.587 16.508 -11.896 1.00 0.00 N ATOM 661 CA LYS A 45 4.500 15.104 -12.280 1.00 0.00 C ATOM 662 C LYS A 45 5.114 14.209 -11.208 1.00 0.00 C ATOM 663 O LYS A 45 5.946 13.351 -11.504 1.00 0.00 O ATOM 664 CB LYS A 45 5.208 14.875 -13.617 1.00 0.00 C ATOM 665 CG LYS A 45 6.449 15.730 -13.803 1.00 0.00 C ATOM 666 CD LYS A 45 6.118 17.056 -14.468 1.00 0.00 C ATOM 667 CE LYS A 45 6.167 16.947 -15.984 1.00 0.00 C ATOM 668 NZ LYS A 45 5.453 18.075 -16.644 1.00 0.00 N ATOM 0 H LYS A 45 5.537 16.879 -11.867 1.00 0.00 H new ATOM 0 HA LYS A 45 3.446 14.846 -12.385 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.486 13.824 -13.696 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.510 15.082 -14.428 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.914 15.914 -12.834 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.177 15.190 -14.409 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.125 17.382 -14.158 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.823 17.818 -14.134 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.206 16.932 -16.314 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.720 16.003 -16.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.509 17.965 -17.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.456 18.074 -16.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.895 18.975 -16.368 1.00 0.00 H new ATOM 682 N ILE A 46 4.696 14.413 -9.963 1.00 0.00 N ATOM 683 CA ILE A 46 5.203 13.622 -8.848 1.00 0.00 C ATOM 684 C ILE A 46 5.278 12.143 -9.213 1.00 0.00 C ATOM 685 O ILE A 46 4.342 11.585 -9.786 1.00 0.00 O ATOM 686 CB ILE A 46 4.322 13.786 -7.596 1.00 0.00 C ATOM 687 CG1 ILE A 46 4.257 15.257 -7.181 1.00 0.00 C ATOM 688 CG2 ILE A 46 4.858 12.932 -6.456 1.00 0.00 C ATOM 689 CD1 ILE A 46 5.562 15.789 -6.631 1.00 0.00 C ATOM 0 H ILE A 46 4.008 15.119 -9.701 1.00 0.00 H new ATOM 0 HA ILE A 46 6.205 13.991 -8.628 1.00 0.00 H new ATOM 0 HB ILE A 46 3.313 13.450 -7.833 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.964 15.856 -8.043 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.478 15.380 -6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.225 13.058 -5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.858 11.884 -6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.876 13.241 -6.217 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.441 16.837 -6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.846 15.215 -5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.340 15.699 -7.389 1.00 0.00 H new ATOM 701 N THR A 47 6.399 11.512 -8.876 1.00 0.00 N ATOM 702 CA THR A 47 6.597 10.098 -9.166 1.00 0.00 C ATOM 703 C THR A 47 6.586 9.267 -7.888 1.00 0.00 C ATOM 704 O THR A 47 7.072 9.707 -6.846 1.00 0.00 O ATOM 705 CB THR A 47 7.924 9.858 -9.910 1.00 0.00 C ATOM 706 OG1 THR A 47 8.011 10.722 -11.049 1.00 0.00 O ATOM 707 CG2 THR A 47 8.040 8.409 -10.357 1.00 0.00 C ATOM 0 H THR A 47 7.184 11.959 -8.402 1.00 0.00 H new ATOM 0 HA THR A 47 5.770 9.788 -9.804 1.00 0.00 H new ATOM 0 HB THR A 47 8.743 10.077 -9.225 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.858 10.564 -11.515 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.985 8.264 -10.880 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.004 7.755 -9.485 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.214 8.168 -11.026 1.00 0.00 H new ATOM 715 N TYR A 48 6.030 8.064 -7.975 1.00 0.00 N ATOM 716 CA TYR A 48 5.955 7.172 -6.825 1.00 0.00 C ATOM 717 C TYR A 48 6.959 6.030 -6.954 1.00 0.00 C ATOM 718 O TYR A 48 7.142 5.468 -8.034 1.00 0.00 O ATOM 719 CB TYR A 48 4.540 6.608 -6.681 1.00 0.00 C ATOM 720 CG TYR A 48 3.456 7.655 -6.804 1.00 0.00 C ATOM 721 CD1 TYR A 48 3.517 8.836 -6.074 1.00 0.00 C ATOM 722 CD2 TYR A 48 2.371 7.464 -7.650 1.00 0.00 C ATOM 723 CE1 TYR A 48 2.529 9.795 -6.183 1.00 0.00 C ATOM 724 CE2 TYR A 48 1.378 8.418 -7.766 1.00 0.00 C ATOM 725 CZ TYR A 48 1.462 9.581 -7.030 1.00 0.00 C ATOM 726 OH TYR A 48 0.475 10.534 -7.142 1.00 0.00 O ATOM 0 H TYR A 48 5.625 7.684 -8.830 1.00 0.00 H new ATOM 0 HA TYR A 48 6.201 7.749 -5.934 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.383 5.844 -7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.451 6.116 -5.712 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.351 9.007 -5.410 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.302 6.554 -8.227 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.592 10.707 -5.608 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.541 8.254 -8.429 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.203 10.229 -7.780 1.00 0.00 H new ATOM 736 N LYS A 49 7.606 5.692 -5.844 1.00 0.00 N ATOM 737 CA LYS A 49 8.591 4.616 -5.830 1.00 0.00 C ATOM 738 C LYS A 49 8.440 3.758 -4.578 1.00 0.00 C ATOM 739 O LYS A 49 8.173 4.270 -3.491 1.00 0.00 O ATOM 740 CB LYS A 49 10.007 5.192 -5.899 1.00 0.00 C ATOM 741 CG LYS A 49 11.014 4.254 -6.540 1.00 0.00 C ATOM 742 CD LYS A 49 12.195 5.015 -7.120 1.00 0.00 C ATOM 743 CE LYS A 49 13.246 5.306 -6.059 1.00 0.00 C ATOM 744 NZ LYS A 49 14.567 5.633 -6.662 1.00 0.00 N ATOM 0 H LYS A 49 7.466 6.147 -4.942 1.00 0.00 H new ATOM 0 HA LYS A 49 8.419 3.987 -6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.984 6.126 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.341 5.436 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.370 3.539 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.527 3.680 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.642 4.435 -7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.847 5.952 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.914 6.138 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.350 4.441 -5.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.256 5.825 -5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.896 4.829 -7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.474 6.474 -7.267 1.00 0.00 H new ATOM 758 N TYR A 50 8.614 2.451 -4.739 1.00 0.00 N ATOM 759 CA TYR A 50 8.496 1.521 -3.621 1.00 0.00 C ATOM 760 C TYR A 50 9.777 0.709 -3.451 1.00 0.00 C ATOM 761 O TYR A 50 10.279 0.111 -4.403 1.00 0.00 O ATOM 762 CB TYR A 50 7.308 0.582 -3.835 1.00 0.00 C ATOM 763 CG TYR A 50 5.994 1.148 -3.349 1.00 0.00 C ATOM 764 CD1 TYR A 50 5.527 2.371 -3.814 1.00 0.00 C ATOM 765 CD2 TYR A 50 5.218 0.460 -2.423 1.00 0.00 C ATOM 766 CE1 TYR A 50 4.327 2.893 -3.372 1.00 0.00 C ATOM 767 CE2 TYR A 50 4.016 0.974 -1.977 1.00 0.00 C ATOM 768 CZ TYR A 50 3.575 2.190 -2.454 1.00 0.00 C ATOM 769 OH TYR A 50 2.378 2.706 -2.010 1.00 0.00 O ATOM 0 H TYR A 50 8.837 2.011 -5.632 1.00 0.00 H new ATOM 0 HA TYR A 50 8.332 2.102 -2.713 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.224 0.352 -4.897 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.502 -0.359 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.113 2.923 -4.534 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.561 -0.492 -2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.980 3.846 -3.743 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.425 0.426 -1.258 1.00 0.00 H new ATOM 0 HH TYR A 50 1.978 3.257 -2.715 1.00 0.00 H new ATOM 779 N THR A 51 10.301 0.692 -2.229 1.00 0.00 N ATOM 780 CA THR A 51 11.523 -0.044 -1.932 1.00 0.00 C ATOM 781 C THR A 51 11.434 -0.730 -0.574 1.00 0.00 C ATOM 782 O THR A 51 10.898 -0.171 0.382 1.00 0.00 O ATOM 783 CB THR A 51 12.755 0.880 -1.948 1.00 0.00 C ATOM 784 OG1 THR A 51 12.560 1.972 -1.042 1.00 0.00 O ATOM 785 CG2 THR A 51 13.011 1.416 -3.349 1.00 0.00 C ATOM 0 H THR A 51 9.898 1.180 -1.429 1.00 0.00 H new ATOM 0 HA THR A 51 11.635 -0.798 -2.711 1.00 0.00 H new ATOM 0 HB THR A 51 13.622 0.299 -1.634 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.627 2.819 -1.531 1.00 0.00 H new ATOM 0 HG21 THR A 51 13.886 2.066 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.188 0.584 -4.030 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.143 1.983 -3.686 1.00 0.00 H new ATOM 793 N GLY A 52 11.965 -1.947 -0.494 1.00 0.00 N ATOM 794 CA GLY A 52 11.936 -2.689 0.752 1.00 0.00 C ATOM 795 C GLY A 52 11.743 -4.177 0.537 1.00 0.00 C ATOM 796 O GLY A 52 11.843 -4.668 -0.588 1.00 0.00 O ATOM 0 H GLY A 52 12.415 -2.432 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.867 -2.521 1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.130 -2.308 1.379 1.00 0.00 H new ATOM 800 N LYS A 53 11.467 -4.899 1.618 1.00 0.00 N ATOM 801 CA LYS A 53 11.260 -6.340 1.544 1.00 0.00 C ATOM 802 C LYS A 53 10.171 -6.682 0.532 1.00 0.00 C ATOM 803 O LYS A 53 9.049 -6.187 0.623 1.00 0.00 O ATOM 804 CB LYS A 53 10.884 -6.894 2.920 1.00 0.00 C ATOM 805 CG LYS A 53 10.813 -8.410 2.967 1.00 0.00 C ATOM 806 CD LYS A 53 11.130 -8.941 4.355 1.00 0.00 C ATOM 807 CE LYS A 53 9.957 -8.751 5.305 1.00 0.00 C ATOM 808 NZ LYS A 53 10.019 -7.440 6.008 1.00 0.00 N ATOM 0 H LYS A 53 11.382 -4.509 2.557 1.00 0.00 H new ATOM 0 HA LYS A 53 12.193 -6.799 1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.614 -6.550 3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.918 -6.484 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.817 -8.738 2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.515 -8.830 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.381 -10.000 4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.007 -8.428 4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.023 -8.820 4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.950 -9.557 6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.135 -7.599 7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.826 -6.891 5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.139 -6.913 5.838 1.00 0.00 H new ATOM 822 N GLY A 54 10.511 -7.533 -0.432 1.00 0.00 N ATOM 823 CA GLY A 54 9.550 -7.927 -1.446 1.00 0.00 C ATOM 824 C GLY A 54 9.749 -7.186 -2.753 1.00 0.00 C ATOM 825 O GLY A 54 9.050 -7.444 -3.733 1.00 0.00 O ATOM 0 H GLY A 54 11.434 -7.956 -0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.633 -8.999 -1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.541 -7.742 -1.077 1.00 0.00 H new ATOM 829 N ILE A 55 10.705 -6.263 -2.768 1.00 0.00 N ATOM 830 CA ILE A 55 10.993 -5.482 -3.964 1.00 0.00 C ATOM 831 C ILE A 55 12.467 -5.583 -4.344 1.00 0.00 C ATOM 832 O ILE A 55 12.806 -5.819 -5.504 1.00 0.00 O ATOM 833 CB ILE A 55 10.625 -3.999 -3.771 1.00 0.00 C ATOM 834 CG1 ILE A 55 9.130 -3.857 -3.478 1.00 0.00 C ATOM 835 CG2 ILE A 55 11.008 -3.193 -5.003 1.00 0.00 C ATOM 836 CD1 ILE A 55 8.739 -2.481 -2.985 1.00 0.00 C ATOM 0 H ILE A 55 11.293 -6.038 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 55 10.383 -5.897 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 55 11.182 -3.609 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.567 -4.083 -4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.842 -4.597 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.741 -2.147 -4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.082 -3.273 -5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.475 -3.581 -5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.666 -2.453 -2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.274 -2.260 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.995 -1.738 -3.740 1.00 0.00 H new ATOM 848 N THR A 56 13.340 -5.403 -3.359 1.00 0.00 N ATOM 849 CA THR A 56 14.778 -5.475 -3.589 1.00 0.00 C ATOM 850 C THR A 56 15.402 -6.628 -2.812 1.00 0.00 C ATOM 851 O THR A 56 16.443 -7.158 -3.201 1.00 0.00 O ATOM 852 CB THR A 56 15.477 -4.162 -3.187 1.00 0.00 C ATOM 853 OG1 THR A 56 15.063 -3.769 -1.873 1.00 0.00 O ATOM 854 CG2 THR A 56 15.157 -3.053 -4.178 1.00 0.00 C ATOM 0 H THR A 56 13.077 -5.206 -2.393 1.00 0.00 H new ATOM 0 HA THR A 56 14.920 -5.642 -4.657 1.00 0.00 H new ATOM 0 HB THR A 56 16.554 -4.333 -3.193 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.513 -2.935 -1.624 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.661 -2.136 -3.873 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.500 -3.343 -5.171 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.080 -2.884 -4.200 1.00 0.00 H new ATOM 862 N GLU A 57 14.760 -7.013 -1.714 1.00 0.00 N ATOM 863 CA GLU A 57 15.254 -8.105 -0.884 1.00 0.00 C ATOM 864 C GLU A 57 14.440 -9.375 -1.114 1.00 0.00 C ATOM 865 O GLU A 57 13.221 -9.340 -1.281 1.00 0.00 O ATOM 866 CB GLU A 57 15.202 -7.715 0.595 1.00 0.00 C ATOM 867 CG GLU A 57 16.330 -6.789 1.020 1.00 0.00 C ATOM 868 CD GLU A 57 17.696 -7.317 0.627 1.00 0.00 C ATOM 869 OE1 GLU A 57 18.046 -8.436 1.057 1.00 0.00 O ATOM 870 OE2 GLU A 57 18.416 -6.611 -0.109 1.00 0.00 O ATOM 0 H GLU A 57 13.897 -6.585 -1.379 1.00 0.00 H new ATOM 0 HA GLU A 57 16.289 -8.301 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.248 -7.230 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.237 -8.620 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.180 -5.808 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.295 -6.651 2.101 1.00 0.00 H new ATOM 877 N PRO A 58 15.131 -10.526 -1.125 1.00 0.00 N ATOM 878 CA PRO A 58 14.493 -11.829 -1.334 1.00 0.00 C ATOM 879 C PRO A 58 13.626 -12.247 -0.152 1.00 0.00 C ATOM 880 O PRO A 58 14.019 -12.131 1.009 1.00 0.00 O ATOM 881 CB PRO A 58 15.680 -12.783 -1.490 1.00 0.00 C ATOM 882 CG PRO A 58 16.797 -12.121 -0.760 1.00 0.00 C ATOM 883 CD PRO A 58 16.586 -10.642 -0.933 1.00 0.00 C ATOM 0 HA PRO A 58 13.819 -11.820 -2.191 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.458 -13.763 -1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.929 -12.936 -2.540 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.791 -12.395 0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.762 -12.427 -1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.922 -10.083 -0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.137 -10.255 -1.790 1.00 0.00 H new ATOM 891 N PRO A 59 12.417 -12.745 -0.451 1.00 0.00 N ATOM 892 CA PRO A 59 11.938 -12.888 -1.829 1.00 0.00 C ATOM 893 C PRO A 59 11.654 -11.541 -2.486 1.00 0.00 C ATOM 894 O PRO A 59 11.092 -10.641 -1.861 1.00 0.00 O ATOM 895 CB PRO A 59 10.644 -13.691 -1.674 1.00 0.00 C ATOM 896 CG PRO A 59 10.180 -13.397 -0.289 1.00 0.00 C ATOM 897 CD PRO A 59 11.424 -13.208 0.534 1.00 0.00 C ATOM 0 HA PRO A 59 12.678 -13.367 -2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.901 -13.391 -2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.820 -14.757 -1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.558 -12.502 -0.268 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.574 -14.215 0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.274 -12.476 1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.735 -14.137 1.012 1.00 0.00 H new ATOM 905 N PHE A 60 12.044 -11.410 -3.749 1.00 0.00 N ATOM 906 CA PHE A 60 11.832 -10.172 -4.490 1.00 0.00 C ATOM 907 C PHE A 60 10.897 -10.402 -5.675 1.00 0.00 C ATOM 908 O PHE A 60 10.610 -11.540 -6.042 1.00 0.00 O ATOM 909 CB PHE A 60 13.167 -9.611 -4.982 1.00 0.00 C ATOM 910 CG PHE A 60 14.122 -10.667 -5.459 1.00 0.00 C ATOM 911 CD1 PHE A 60 13.901 -11.329 -6.656 1.00 0.00 C ATOM 912 CD2 PHE A 60 15.241 -10.999 -4.711 1.00 0.00 C ATOM 913 CE1 PHE A 60 14.778 -12.302 -7.099 1.00 0.00 C ATOM 914 CE2 PHE A 60 16.121 -11.970 -5.149 1.00 0.00 C ATOM 915 CZ PHE A 60 15.889 -12.623 -6.344 1.00 0.00 C ATOM 0 H PHE A 60 12.509 -12.146 -4.281 1.00 0.00 H new ATOM 0 HA PHE A 60 11.369 -9.450 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 60 12.980 -8.909 -5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.635 -9.047 -4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.033 -11.082 -7.250 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.427 -10.493 -3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.594 -12.810 -8.034 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.990 -12.218 -4.557 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.575 -13.383 -6.687 1.00 0.00 H new ATOM 925 N GLY A 61 10.425 -9.310 -6.269 1.00 0.00 N ATOM 926 CA GLY A 61 9.527 -9.412 -7.404 1.00 0.00 C ATOM 927 C GLY A 61 8.069 -9.440 -6.991 1.00 0.00 C ATOM 928 O GLY A 61 7.203 -8.948 -7.714 1.00 0.00 O ATOM 0 H GLY A 61 10.649 -8.356 -5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.695 -8.568 -8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.759 -10.316 -7.967 1.00 0.00 H new ATOM 932 N ILE A 62 7.797 -10.017 -5.825 1.00 0.00 N ATOM 933 CA ILE A 62 6.434 -10.107 -5.317 1.00 0.00 C ATOM 934 C ILE A 62 5.689 -8.790 -5.506 1.00 0.00 C ATOM 935 O ILE A 62 4.566 -8.766 -6.010 1.00 0.00 O ATOM 936 CB ILE A 62 6.413 -10.486 -3.825 1.00 0.00 C ATOM 937 CG1 ILE A 62 6.934 -11.911 -3.631 1.00 0.00 C ATOM 938 CG2 ILE A 62 5.006 -10.349 -3.263 1.00 0.00 C ATOM 939 CD1 ILE A 62 6.957 -12.355 -2.185 1.00 0.00 C ATOM 0 H ILE A 62 8.503 -10.429 -5.215 1.00 0.00 H new ATOM 0 HA ILE A 62 5.935 -10.889 -5.889 1.00 0.00 H new ATOM 0 HB ILE A 62 7.067 -9.803 -3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.311 -12.598 -4.204 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.942 -11.979 -4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.008 -10.621 -2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.669 -9.318 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.331 -11.010 -3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.338 -13.375 -2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.603 -11.691 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.947 -12.320 -1.777 1.00 0.00 H new ATOM 951 N PHE A 63 6.323 -7.694 -5.101 1.00 0.00 N ATOM 952 CA PHE A 63 5.721 -6.372 -5.226 1.00 0.00 C ATOM 953 C PHE A 63 6.411 -5.561 -6.319 1.00 0.00 C ATOM 954 O PHE A 63 7.639 -5.542 -6.411 1.00 0.00 O ATOM 955 CB PHE A 63 5.800 -5.624 -3.894 1.00 0.00 C ATOM 956 CG PHE A 63 5.128 -6.346 -2.761 1.00 0.00 C ATOM 957 CD1 PHE A 63 3.788 -6.688 -2.837 1.00 0.00 C ATOM 958 CD2 PHE A 63 5.838 -6.683 -1.619 1.00 0.00 C ATOM 959 CE1 PHE A 63 3.167 -7.351 -1.795 1.00 0.00 C ATOM 960 CE2 PHE A 63 5.223 -7.347 -0.574 1.00 0.00 C ATOM 961 CZ PHE A 63 3.886 -7.682 -0.663 1.00 0.00 C ATOM 0 H PHE A 63 7.254 -7.696 -4.683 1.00 0.00 H new ATOM 0 HA PHE A 63 4.674 -6.502 -5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.847 -5.460 -3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.343 -4.641 -4.010 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.222 -6.434 -3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.884 -6.424 -1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.121 -7.610 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.787 -7.603 0.311 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.403 -8.202 0.151 1.00 0.00 H new ATOM 971 N VAL A 64 5.613 -4.894 -7.146 1.00 0.00 N ATOM 972 CA VAL A 64 6.146 -4.081 -8.233 1.00 0.00 C ATOM 973 C VAL A 64 5.392 -2.761 -8.353 1.00 0.00 C ATOM 974 O VAL A 64 4.165 -2.725 -8.264 1.00 0.00 O ATOM 975 CB VAL A 64 6.072 -4.825 -9.579 1.00 0.00 C ATOM 976 CG1 VAL A 64 6.815 -6.150 -9.498 1.00 0.00 C ATOM 977 CG2 VAL A 64 4.624 -5.041 -9.990 1.00 0.00 C ATOM 0 H VAL A 64 4.595 -4.900 -7.084 1.00 0.00 H new ATOM 0 HA VAL A 64 7.190 -3.880 -7.994 1.00 0.00 H new ATOM 0 HB VAL A 64 6.554 -4.211 -10.340 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.752 -6.662 -10.458 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.861 -5.966 -9.253 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.365 -6.773 -8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.591 -5.568 -10.943 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.115 -5.634 -9.230 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.127 -4.076 -10.091 1.00 0.00 H new ATOM 987 N PHE A 65 6.135 -1.678 -8.555 1.00 0.00 N ATOM 988 CA PHE A 65 5.537 -0.355 -8.687 1.00 0.00 C ATOM 989 C PHE A 65 5.803 0.227 -10.072 1.00 0.00 C ATOM 990 O PHE A 65 6.482 -0.386 -10.895 1.00 0.00 O ATOM 991 CB PHE A 65 6.086 0.586 -7.612 1.00 0.00 C ATOM 992 CG PHE A 65 7.569 0.804 -7.707 1.00 0.00 C ATOM 993 CD1 PHE A 65 8.084 1.816 -8.501 1.00 0.00 C ATOM 994 CD2 PHE A 65 8.448 -0.004 -7.003 1.00 0.00 C ATOM 995 CE1 PHE A 65 9.449 2.019 -8.590 1.00 0.00 C ATOM 996 CE2 PHE A 65 9.813 0.196 -7.088 1.00 0.00 C ATOM 997 CZ PHE A 65 10.314 1.207 -7.884 1.00 0.00 C ATOM 0 H PHE A 65 7.152 -1.691 -8.631 1.00 0.00 H new ATOM 0 HA PHE A 65 4.460 -0.456 -8.556 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.580 1.548 -7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.849 0.179 -6.629 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.412 2.453 -9.057 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.062 -0.798 -6.381 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.838 2.812 -9.211 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.488 -0.438 -6.532 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.380 1.362 -7.954 1.00 0.00 H new ATOM 1007 N ASN A 66 5.263 1.416 -10.322 1.00 0.00 N ATOM 1008 CA ASN A 66 5.441 2.081 -11.608 1.00 0.00 C ATOM 1009 C ASN A 66 6.014 3.482 -11.420 1.00 0.00 C ATOM 1010 O ASN A 66 6.084 3.992 -10.302 1.00 0.00 O ATOM 1011 CB ASN A 66 4.108 2.158 -12.354 1.00 0.00 C ATOM 1012 CG ASN A 66 3.841 0.922 -13.191 1.00 0.00 C ATOM 1013 OD1 ASN A 66 4.307 -0.171 -12.869 1.00 0.00 O ATOM 1014 ND2 ASN A 66 3.089 1.090 -14.272 1.00 0.00 N ATOM 0 H ASN A 66 4.699 1.938 -9.651 1.00 0.00 H new ATOM 0 HA ASN A 66 6.146 1.496 -12.198 1.00 0.00 H new ATOM 0 HB2 ASN A 66 3.299 2.288 -11.635 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.106 3.037 -12.998 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.876 0.295 -14.874 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.724 2.015 -14.501 1.00 0.00 H new ATOM 1021 N LYS A 67 6.422 4.101 -12.523 1.00 0.00 N ATOM 1022 CA LYS A 67 6.987 5.445 -12.483 1.00 0.00 C ATOM 1023 C LYS A 67 5.918 6.493 -12.774 1.00 0.00 C ATOM 1024 O LYS A 67 5.835 7.514 -12.091 1.00 0.00 O ATOM 1025 CB LYS A 67 8.129 5.571 -13.493 1.00 0.00 C ATOM 1026 CG LYS A 67 8.489 7.007 -13.829 1.00 0.00 C ATOM 1027 CD LYS A 67 9.568 7.543 -12.903 1.00 0.00 C ATOM 1028 CE LYS A 67 10.960 7.228 -13.429 1.00 0.00 C ATOM 1029 NZ LYS A 67 11.324 8.092 -14.586 1.00 0.00 N ATOM 0 H LYS A 67 6.372 3.693 -13.456 1.00 0.00 H new ATOM 0 HA LYS A 67 7.377 5.618 -11.480 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.011 5.068 -13.096 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.851 5.051 -14.410 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.833 7.065 -14.862 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.600 7.633 -13.754 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.454 8.622 -12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.446 7.109 -11.911 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.689 7.364 -12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.007 6.181 -13.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.346 8.020 -14.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.802 7.781 -15.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.079 9.080 -14.372 1.00 0.00 H new ATOM 1043 N ASP A 68 5.103 6.234 -13.790 1.00 0.00 N ATOM 1044 CA ASP A 68 4.038 7.155 -14.170 1.00 0.00 C ATOM 1045 C ASP A 68 2.892 7.104 -13.166 1.00 0.00 C ATOM 1046 O ASP A 68 2.727 8.010 -12.348 1.00 0.00 O ATOM 1047 CB ASP A 68 3.521 6.820 -15.571 1.00 0.00 C ATOM 1048 CG ASP A 68 4.606 6.909 -16.625 1.00 0.00 C ATOM 1049 OD1 ASP A 68 5.451 7.824 -16.530 1.00 0.00 O ATOM 1050 OD2 ASP A 68 4.610 6.065 -17.546 1.00 0.00 O ATOM 0 H ASP A 68 5.159 5.394 -14.366 1.00 0.00 H new ATOM 0 HA ASP A 68 4.448 8.165 -14.174 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.102 5.814 -15.569 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.711 7.502 -15.829 1.00 0.00 H new ATOM 1055 N THR A 69 2.100 6.038 -13.232 1.00 0.00 N ATOM 1056 CA THR A 69 0.967 5.869 -12.331 1.00 0.00 C ATOM 1057 C THR A 69 1.417 5.324 -10.980 1.00 0.00 C ATOM 1058 O THR A 69 0.671 5.370 -10.002 1.00 0.00 O ATOM 1059 CB THR A 69 -0.090 4.921 -12.927 1.00 0.00 C ATOM 1060 OG1 THR A 69 -1.128 4.680 -11.971 1.00 0.00 O ATOM 1061 CG2 THR A 69 0.540 3.600 -13.343 1.00 0.00 C ATOM 0 H THR A 69 2.223 5.278 -13.901 1.00 0.00 H new ATOM 0 HA THR A 69 0.523 6.855 -12.194 1.00 0.00 H new ATOM 0 HB THR A 69 -0.515 5.397 -13.811 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.801 4.895 -11.072 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.226 2.947 -13.761 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.309 3.784 -14.093 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.989 3.121 -12.473 1.00 0.00 H new ATOM 1069 N GLY A 70 2.641 4.809 -10.932 1.00 0.00 N ATOM 1070 CA GLY A 70 3.169 4.263 -9.695 1.00 0.00 C ATOM 1071 C GLY A 70 2.110 3.551 -8.878 1.00 0.00 C ATOM 1072 O GLY A 70 1.589 4.103 -7.909 1.00 0.00 O ATOM 0 H GLY A 70 3.277 4.760 -11.728 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.976 3.567 -9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.601 5.068 -9.101 1.00 0.00 H new ATOM 1076 N GLU A 71 1.790 2.321 -9.269 1.00 0.00 N ATOM 1077 CA GLU A 71 0.784 1.534 -8.567 1.00 0.00 C ATOM 1078 C GLU A 71 1.337 0.165 -8.180 1.00 0.00 C ATOM 1079 O GLU A 71 1.833 -0.579 -9.028 1.00 0.00 O ATOM 1080 CB GLU A 71 -0.463 1.365 -9.437 1.00 0.00 C ATOM 1081 CG GLU A 71 -1.396 2.564 -9.402 1.00 0.00 C ATOM 1082 CD GLU A 71 -2.422 2.537 -10.518 1.00 0.00 C ATOM 1083 OE1 GLU A 71 -2.083 2.070 -11.625 1.00 0.00 O ATOM 1084 OE2 GLU A 71 -3.565 2.984 -10.284 1.00 0.00 O ATOM 0 H GLU A 71 2.213 1.849 -10.068 1.00 0.00 H new ATOM 0 HA GLU A 71 0.513 2.068 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.155 1.184 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.009 0.481 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.910 2.592 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.809 3.479 -9.476 1.00 0.00 H new ATOM 1091 N LEU A 72 1.248 -0.161 -6.896 1.00 0.00 N ATOM 1092 CA LEU A 72 1.739 -1.440 -6.395 1.00 0.00 C ATOM 1093 C LEU A 72 0.793 -2.574 -6.777 1.00 0.00 C ATOM 1094 O LEU A 72 -0.404 -2.517 -6.498 1.00 0.00 O ATOM 1095 CB LEU A 72 1.903 -1.387 -4.875 1.00 0.00 C ATOM 1096 CG LEU A 72 2.883 -2.392 -4.269 1.00 0.00 C ATOM 1097 CD1 LEU A 72 4.307 -2.075 -4.701 1.00 0.00 C ATOM 1098 CD2 LEU A 72 2.772 -2.397 -2.752 1.00 0.00 C ATOM 0 H LEU A 72 0.840 0.443 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 72 2.710 -1.632 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.227 -0.383 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.925 -1.543 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 72 2.627 -3.386 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.991 -2.800 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.377 -2.124 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.575 -1.073 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.477 -3.118 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.001 -1.403 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.758 -2.673 -2.462 1.00 0.00 H new ATOM 1110 N ASN A 73 1.340 -3.605 -7.414 1.00 0.00 N ATOM 1111 CA ASN A 73 0.544 -4.753 -7.832 1.00 0.00 C ATOM 1112 C ASN A 73 1.266 -6.059 -7.515 1.00 0.00 C ATOM 1113 O ASN A 73 2.255 -6.407 -8.161 1.00 0.00 O ATOM 1114 CB ASN A 73 0.244 -4.674 -9.330 1.00 0.00 C ATOM 1115 CG ASN A 73 -0.075 -3.262 -9.782 1.00 0.00 C ATOM 1116 OD1 ASN A 73 -1.014 -2.637 -9.288 1.00 0.00 O ATOM 1117 ND2 ASN A 73 0.708 -2.751 -10.726 1.00 0.00 N ATOM 0 H ASN A 73 2.330 -3.669 -7.652 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.395 -4.733 -7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.102 -5.047 -9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.597 -5.326 -9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.542 -1.805 -11.069 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.475 -3.305 -11.107 1.00 0.00 H new ATOM 1124 N VAL A 74 0.765 -6.779 -6.517 1.00 0.00 N ATOM 1125 CA VAL A 74 1.360 -8.048 -6.115 1.00 0.00 C ATOM 1126 C VAL A 74 1.286 -9.072 -7.242 1.00 0.00 C ATOM 1127 O VAL A 74 0.212 -9.344 -7.779 1.00 0.00 O ATOM 1128 CB VAL A 74 0.665 -8.624 -4.867 1.00 0.00 C ATOM 1129 CG1 VAL A 74 -0.792 -8.943 -5.166 1.00 0.00 C ATOM 1130 CG2 VAL A 74 1.399 -9.861 -4.372 1.00 0.00 C ATOM 0 H VAL A 74 -0.052 -6.505 -5.971 1.00 0.00 H new ATOM 0 HA VAL A 74 2.405 -7.846 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 74 0.693 -7.873 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.266 -9.349 -4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.309 -8.033 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.846 -9.676 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.894 -10.255 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.404 -10.619 -5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.425 -9.597 -4.116 1.00 0.00 H new ATOM 1140 N THR A 75 2.436 -9.637 -7.597 1.00 0.00 N ATOM 1141 CA THR A 75 2.502 -10.631 -8.661 1.00 0.00 C ATOM 1142 C THR A 75 2.969 -11.980 -8.126 1.00 0.00 C ATOM 1143 O THR A 75 3.747 -12.680 -8.773 1.00 0.00 O ATOM 1144 CB THR A 75 3.451 -10.183 -9.789 1.00 0.00 C ATOM 1145 OG1 THR A 75 4.806 -10.206 -9.328 1.00 0.00 O ATOM 1146 CG2 THR A 75 3.097 -8.784 -10.270 1.00 0.00 C ATOM 0 H THR A 75 3.334 -9.423 -7.163 1.00 0.00 H new ATOM 0 HA THR A 75 1.494 -10.732 -9.062 1.00 0.00 H new ATOM 0 HB THR A 75 3.340 -10.876 -10.623 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.403 -9.921 -10.052 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.780 -8.489 -11.066 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.075 -8.777 -10.648 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.182 -8.082 -9.441 1.00 0.00 H new ATOM 1154 N SER A 76 2.488 -12.339 -6.940 1.00 0.00 N ATOM 1155 CA SER A 76 2.859 -13.603 -6.316 1.00 0.00 C ATOM 1156 C SER A 76 1.836 -14.008 -5.259 1.00 0.00 C ATOM 1157 O SER A 76 1.115 -13.166 -4.723 1.00 0.00 O ATOM 1158 CB SER A 76 4.248 -13.496 -5.683 1.00 0.00 C ATOM 1159 OG SER A 76 4.892 -14.758 -5.651 1.00 0.00 O ATOM 0 H SER A 76 1.841 -11.772 -6.392 1.00 0.00 H new ATOM 0 HA SER A 76 2.879 -14.370 -7.090 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.855 -12.789 -6.248 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.160 -13.103 -4.670 1.00 0.00 H new ATOM 0 HG SER A 76 5.778 -14.663 -5.244 1.00 0.00 H new ATOM 1165 N ILE A 77 1.779 -15.302 -4.964 1.00 0.00 N ATOM 1166 CA ILE A 77 0.846 -15.819 -3.971 1.00 0.00 C ATOM 1167 C ILE A 77 1.499 -15.906 -2.596 1.00 0.00 C ATOM 1168 O ILE A 77 2.230 -16.852 -2.302 1.00 0.00 O ATOM 1169 CB ILE A 77 0.319 -17.212 -4.365 1.00 0.00 C ATOM 1170 CG1 ILE A 77 -0.385 -17.149 -5.722 1.00 0.00 C ATOM 1171 CG2 ILE A 77 -0.626 -17.742 -3.296 1.00 0.00 C ATOM 1172 CD1 ILE A 77 0.565 -17.204 -6.898 1.00 0.00 C ATOM 0 H ILE A 77 2.368 -16.012 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 77 0.010 -15.121 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 77 1.164 -17.895 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.090 -17.977 -5.795 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.967 -16.229 -5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.990 -18.727 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.096 -17.818 -2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.470 -17.061 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.003 -17.155 -7.827 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.254 -16.361 -6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.129 -18.136 -6.867 1.00 0.00 H new ATOM 1184 N LEU A 78 1.229 -14.913 -1.755 1.00 0.00 N ATOM 1185 CA LEU A 78 1.788 -14.877 -0.409 1.00 0.00 C ATOM 1186 C LEU A 78 1.825 -16.273 0.204 1.00 0.00 C ATOM 1187 O LEU A 78 0.978 -17.115 -0.095 1.00 0.00 O ATOM 1188 CB LEU A 78 0.969 -13.939 0.480 1.00 0.00 C ATOM 1189 CG LEU A 78 0.802 -12.507 -0.029 1.00 0.00 C ATOM 1190 CD1 LEU A 78 -0.373 -11.830 0.659 1.00 0.00 C ATOM 1191 CD2 LEU A 78 2.081 -11.711 0.189 1.00 0.00 C ATOM 0 H LEU A 78 0.626 -14.122 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 78 2.810 -14.504 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.022 -14.373 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.438 -13.901 1.463 1.00 0.00 H new ATOM 0 HG LEU A 78 0.598 -12.543 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.477 -10.812 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.286 -12.388 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.199 -11.805 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.944 -10.694 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.315 -11.683 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.901 -12.185 -0.351 1.00 0.00 H new ATOM 1203 N ASP A 79 2.811 -16.512 1.062 1.00 0.00 N ATOM 1204 CA ASP A 79 2.956 -17.805 1.719 1.00 0.00 C ATOM 1205 C ASP A 79 2.508 -17.728 3.175 1.00 0.00 C ATOM 1206 O ASP A 79 2.140 -18.738 3.776 1.00 0.00 O ATOM 1207 CB ASP A 79 4.408 -18.280 1.643 1.00 0.00 C ATOM 1208 CG ASP A 79 4.716 -18.997 0.344 1.00 0.00 C ATOM 1209 OD1 ASP A 79 4.111 -20.061 0.096 1.00 0.00 O ATOM 1210 OD2 ASP A 79 5.561 -18.494 -0.426 1.00 0.00 O ATOM 0 H ASP A 79 3.522 -15.827 1.318 1.00 0.00 H new ATOM 0 HA ASP A 79 2.320 -18.522 1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.073 -17.423 1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.613 -18.947 2.480 1.00 0.00 H new ATOM 1215 N ARG A 80 2.544 -16.525 3.737 1.00 0.00 N ATOM 1216 CA ARG A 80 2.144 -16.316 5.124 1.00 0.00 C ATOM 1217 C ARG A 80 2.926 -17.234 6.059 1.00 0.00 C ATOM 1218 O ARG A 80 2.464 -17.563 7.150 1.00 0.00 O ATOM 1219 CB ARG A 80 0.643 -16.564 5.287 1.00 0.00 C ATOM 1220 CG ARG A 80 0.058 -15.949 6.547 1.00 0.00 C ATOM 1221 CD ARG A 80 -1.229 -16.645 6.961 1.00 0.00 C ATOM 1222 NE ARG A 80 -0.988 -18.006 7.433 1.00 0.00 N ATOM 1223 CZ ARG A 80 -0.468 -18.291 8.621 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -0.138 -17.314 9.455 1.00 0.00 N ATOM 1225 NH2 ARG A 80 -0.279 -19.554 8.979 1.00 0.00 N ATOM 0 H ARG A 80 2.846 -15.679 3.253 1.00 0.00 H new ATOM 0 HA ARG A 80 2.366 -15.282 5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.120 -16.161 4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.460 -17.638 5.298 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.785 -16.015 7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.138 -14.890 6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.715 -16.069 7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.915 -16.671 6.115 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.233 -18.780 6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.284 -16.341 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.261 -17.535 10.367 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.533 -20.308 8.341 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.121 -19.771 9.892 1.00 0.00 H new ATOM 1239 N GLU A 81 4.113 -17.643 5.622 1.00 0.00 N ATOM 1240 CA GLU A 81 4.959 -18.523 6.419 1.00 0.00 C ATOM 1241 C GLU A 81 6.371 -17.958 6.542 1.00 0.00 C ATOM 1242 O GLU A 81 6.966 -17.975 7.619 1.00 0.00 O ATOM 1243 CB GLU A 81 5.009 -19.920 5.797 1.00 0.00 C ATOM 1244 CG GLU A 81 3.684 -20.662 5.860 1.00 0.00 C ATOM 1245 CD GLU A 81 3.861 -22.167 5.925 1.00 0.00 C ATOM 1246 OE1 GLU A 81 4.800 -22.624 6.610 1.00 0.00 O ATOM 1247 OE2 GLU A 81 3.061 -22.887 5.292 1.00 0.00 O ATOM 0 H GLU A 81 4.510 -17.379 4.720 1.00 0.00 H new ATOM 0 HA GLU A 81 4.527 -18.593 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.318 -19.834 4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.770 -20.509 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.126 -20.327 6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.087 -20.408 4.984 1.00 0.00 H new ATOM 1254 N GLU A 82 6.900 -17.458 5.429 1.00 0.00 N ATOM 1255 CA GLU A 82 8.243 -16.889 5.412 1.00 0.00 C ATOM 1256 C GLU A 82 8.210 -15.407 5.772 1.00 0.00 C ATOM 1257 O GLU A 82 8.995 -14.939 6.597 1.00 0.00 O ATOM 1258 CB GLU A 82 8.882 -17.077 4.034 1.00 0.00 C ATOM 1259 CG GLU A 82 10.334 -16.634 3.972 1.00 0.00 C ATOM 1260 CD GLU A 82 11.301 -17.754 4.307 1.00 0.00 C ATOM 1261 OE1 GLU A 82 11.113 -18.405 5.356 1.00 0.00 O ATOM 1262 OE2 GLU A 82 12.244 -17.979 3.520 1.00 0.00 O ATOM 0 H GLU A 82 6.420 -17.435 4.529 1.00 0.00 H new ATOM 0 HA GLU A 82 8.842 -17.412 6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.819 -18.129 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.308 -16.516 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.553 -16.257 2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.488 -15.807 4.665 1.00 0.00 H new ATOM 1269 N THR A 83 7.296 -14.672 5.146 1.00 0.00 N ATOM 1270 CA THR A 83 7.161 -13.243 5.398 1.00 0.00 C ATOM 1271 C THR A 83 5.713 -12.872 5.700 1.00 0.00 C ATOM 1272 O THR A 83 4.950 -12.482 4.816 1.00 0.00 O ATOM 1273 CB THR A 83 7.653 -12.412 4.198 1.00 0.00 C ATOM 1274 OG1 THR A 83 7.027 -12.872 2.995 1.00 0.00 O ATOM 1275 CG2 THR A 83 9.165 -12.506 4.058 1.00 0.00 C ATOM 0 H THR A 83 6.638 -15.043 4.461 1.00 0.00 H new ATOM 0 HA THR A 83 7.780 -13.015 6.266 1.00 0.00 H new ATOM 0 HB THR A 83 7.385 -11.370 4.371 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.428 -12.177 2.652 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.489 -11.911 3.204 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.638 -12.128 4.964 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.452 -13.546 3.905 1.00 0.00 H new ATOM 1283 N PRO A 84 5.324 -12.994 6.978 1.00 0.00 N ATOM 1284 CA PRO A 84 3.965 -12.675 7.425 1.00 0.00 C ATOM 1285 C PRO A 84 3.675 -11.179 7.377 1.00 0.00 C ATOM 1286 O PRO A 84 2.518 -10.761 7.341 1.00 0.00 O ATOM 1287 CB PRO A 84 3.940 -13.178 8.870 1.00 0.00 C ATOM 1288 CG PRO A 84 5.364 -13.144 9.308 1.00 0.00 C ATOM 1289 CD PRO A 84 6.181 -13.452 8.084 1.00 0.00 C ATOM 0 HA PRO A 84 3.208 -13.132 6.787 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.317 -12.543 9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.531 -14.187 8.931 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.624 -12.167 9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.548 -13.876 10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.136 -12.927 8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.403 -14.516 8.006 1.00 0.00 H new ATOM 1297 N PHE A 85 4.734 -10.375 7.377 1.00 0.00 N ATOM 1298 CA PHE A 85 4.593 -8.924 7.334 1.00 0.00 C ATOM 1299 C PHE A 85 5.602 -8.308 6.369 1.00 0.00 C ATOM 1300 O PHE A 85 6.761 -8.719 6.319 1.00 0.00 O ATOM 1301 CB PHE A 85 4.779 -8.331 8.732 1.00 0.00 C ATOM 1302 CG PHE A 85 6.114 -8.646 9.344 1.00 0.00 C ATOM 1303 CD1 PHE A 85 7.231 -7.888 9.030 1.00 0.00 C ATOM 1304 CD2 PHE A 85 6.253 -9.700 10.232 1.00 0.00 C ATOM 1305 CE1 PHE A 85 8.461 -8.174 9.592 1.00 0.00 C ATOM 1306 CE2 PHE A 85 7.480 -9.991 10.797 1.00 0.00 C ATOM 1307 CZ PHE A 85 8.586 -9.228 10.476 1.00 0.00 C ATOM 0 H PHE A 85 5.699 -10.704 7.406 1.00 0.00 H new ATOM 0 HA PHE A 85 3.589 -8.692 6.979 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.659 -7.249 8.678 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.991 -8.707 9.385 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.139 -7.064 8.338 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.392 -10.301 10.486 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.323 -7.574 9.340 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.574 -10.815 11.489 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.546 -9.455 10.915 1.00 0.00 H new ATOM 1317 N PHE A 86 5.152 -7.320 5.603 1.00 0.00 N ATOM 1318 CA PHE A 86 6.014 -6.647 4.638 1.00 0.00 C ATOM 1319 C PHE A 86 6.101 -5.153 4.936 1.00 0.00 C ATOM 1320 O PHE A 86 5.085 -4.459 4.993 1.00 0.00 O ATOM 1321 CB PHE A 86 5.491 -6.865 3.217 1.00 0.00 C ATOM 1322 CG PHE A 86 5.877 -8.195 2.634 1.00 0.00 C ATOM 1323 CD1 PHE A 86 7.167 -8.420 2.182 1.00 0.00 C ATOM 1324 CD2 PHE A 86 4.949 -9.219 2.538 1.00 0.00 C ATOM 1325 CE1 PHE A 86 7.525 -9.642 1.645 1.00 0.00 C ATOM 1326 CE2 PHE A 86 5.301 -10.443 2.002 1.00 0.00 C ATOM 1327 CZ PHE A 86 6.590 -10.655 1.554 1.00 0.00 C ATOM 0 H PHE A 86 4.195 -6.967 5.632 1.00 0.00 H new ATOM 0 HA PHE A 86 7.013 -7.075 4.720 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.404 -6.781 3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.870 -6.071 2.573 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.902 -7.631 2.250 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.939 -9.059 2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.534 -9.805 1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.568 -11.234 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.867 -11.611 1.133 1.00 0.00 H new ATOM 1337 N LEU A 87 7.322 -4.665 5.127 1.00 0.00 N ATOM 1338 CA LEU A 87 7.544 -3.253 5.420 1.00 0.00 C ATOM 1339 C LEU A 87 8.289 -2.570 4.277 1.00 0.00 C ATOM 1340 O LEU A 87 9.420 -2.937 3.953 1.00 0.00 O ATOM 1341 CB LEU A 87 8.333 -3.100 6.722 1.00 0.00 C ATOM 1342 CG LEU A 87 7.507 -3.078 8.008 1.00 0.00 C ATOM 1343 CD1 LEU A 87 6.483 -1.955 7.966 1.00 0.00 C ATOM 1344 CD2 LEU A 87 6.822 -4.419 8.226 1.00 0.00 C ATOM 0 H LEU A 87 8.173 -5.226 5.084 1.00 0.00 H new ATOM 0 HA LEU A 87 6.572 -2.773 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.049 -3.919 6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.909 -2.176 6.668 1.00 0.00 H new ATOM 0 HG LEU A 87 8.180 -2.897 8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.905 -1.955 8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.996 -0.999 7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.814 -2.104 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.239 -4.384 9.146 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.161 -4.631 7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.575 -5.204 8.303 1.00 0.00 H new ATOM 1356 N LEU A 88 7.650 -1.576 3.672 1.00 0.00 N ATOM 1357 CA LEU A 88 8.253 -0.839 2.567 1.00 0.00 C ATOM 1358 C LEU A 88 8.343 0.649 2.888 1.00 0.00 C ATOM 1359 O LEU A 88 7.717 1.131 3.834 1.00 0.00 O ATOM 1360 CB LEU A 88 7.442 -1.048 1.287 1.00 0.00 C ATOM 1361 CG LEU A 88 7.097 -2.496 0.939 1.00 0.00 C ATOM 1362 CD1 LEU A 88 5.892 -2.551 0.013 1.00 0.00 C ATOM 1363 CD2 LEU A 88 8.292 -3.192 0.304 1.00 0.00 C ATOM 0 H LEU A 88 6.714 -1.261 3.928 1.00 0.00 H new ATOM 0 HA LEU A 88 9.263 -1.220 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.513 -0.485 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.998 -0.618 0.454 1.00 0.00 H new ATOM 0 HG LEU A 88 6.845 -3.020 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.662 -3.590 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.034 -2.092 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.115 -2.010 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.028 -4.222 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.576 -2.667 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.129 -3.186 1.002 1.00 0.00 H new ATOM 1375 N THR A 89 9.124 1.375 2.094 1.00 0.00 N ATOM 1376 CA THR A 89 9.294 2.809 2.294 1.00 0.00 C ATOM 1377 C THR A 89 8.957 3.584 1.025 1.00 0.00 C ATOM 1378 O THR A 89 9.783 3.706 0.122 1.00 0.00 O ATOM 1379 CB THR A 89 10.735 3.149 2.722 1.00 0.00 C ATOM 1380 OG1 THR A 89 11.103 2.368 3.864 1.00 0.00 O ATOM 1381 CG2 THR A 89 10.867 4.629 3.048 1.00 0.00 C ATOM 0 H THR A 89 9.649 0.994 1.307 1.00 0.00 H new ATOM 0 HA THR A 89 8.608 3.102 3.089 1.00 0.00 H new ATOM 0 HB THR A 89 11.403 2.915 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.020 2.588 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.892 4.846 3.348 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.614 5.220 2.167 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.189 4.884 3.863 1.00 0.00 H new ATOM 1389 N GLY A 90 7.736 4.108 0.964 1.00 0.00 N ATOM 1390 CA GLY A 90 7.311 4.866 -0.198 1.00 0.00 C ATOM 1391 C GLY A 90 7.997 6.214 -0.293 1.00 0.00 C ATOM 1392 O GLY A 90 8.096 6.939 0.697 1.00 0.00 O ATOM 0 H GLY A 90 7.034 4.021 1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.521 4.291 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.232 5.013 -0.157 1.00 0.00 H new ATOM 1396 N TYR A 91 8.473 6.551 -1.487 1.00 0.00 N ATOM 1397 CA TYR A 91 9.157 7.820 -1.706 1.00 0.00 C ATOM 1398 C TYR A 91 8.383 8.692 -2.690 1.00 0.00 C ATOM 1399 O TYR A 91 7.877 8.207 -3.702 1.00 0.00 O ATOM 1400 CB TYR A 91 10.573 7.576 -2.228 1.00 0.00 C ATOM 1401 CG TYR A 91 11.489 6.928 -1.214 1.00 0.00 C ATOM 1402 CD1 TYR A 91 11.444 5.559 -0.984 1.00 0.00 C ATOM 1403 CD2 TYR A 91 12.400 7.685 -0.488 1.00 0.00 C ATOM 1404 CE1 TYR A 91 12.278 4.963 -0.058 1.00 0.00 C ATOM 1405 CE2 TYR A 91 13.239 7.098 0.439 1.00 0.00 C ATOM 1406 CZ TYR A 91 13.174 5.736 0.651 1.00 0.00 C ATOM 1407 OH TYR A 91 14.008 5.146 1.573 1.00 0.00 O ATOM 0 H TYR A 91 8.398 5.963 -2.317 1.00 0.00 H new ATOM 0 HA TYR A 91 9.214 8.343 -0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.521 6.944 -3.114 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.005 8.527 -2.540 1.00 0.00 H new ATOM 0 HD1 TYR A 91 10.745 4.950 -1.538 1.00 0.00 H new ATOM 0 HD2 TYR A 91 12.453 8.751 -0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 91 12.229 3.897 0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 91 13.942 7.701 0.995 1.00 0.00 H new ATOM 0 HH TYR A 91 14.578 5.830 1.984 1.00 0.00 H new ATOM 1417 N ALA A 92 8.297 9.983 -2.386 1.00 0.00 N ATOM 1418 CA ALA A 92 7.589 10.925 -3.243 1.00 0.00 C ATOM 1419 C ALA A 92 8.558 11.890 -3.918 1.00 0.00 C ATOM 1420 O ALA A 92 8.751 13.016 -3.457 1.00 0.00 O ATOM 1421 CB ALA A 92 6.550 11.693 -2.439 1.00 0.00 C ATOM 0 H ALA A 92 8.709 10.400 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 92 7.082 10.357 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.029 12.393 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.832 10.994 -2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.044 12.243 -1.638 1.00 0.00 H new ATOM 1427 N LEU A 93 9.167 11.442 -5.011 1.00 0.00 N ATOM 1428 CA LEU A 93 10.117 12.267 -5.749 1.00 0.00 C ATOM 1429 C LEU A 93 9.407 13.415 -6.458 1.00 0.00 C ATOM 1430 O LEU A 93 8.255 13.283 -6.874 1.00 0.00 O ATOM 1431 CB LEU A 93 10.878 11.415 -6.767 1.00 0.00 C ATOM 1432 CG LEU A 93 11.655 10.226 -6.200 1.00 0.00 C ATOM 1433 CD1 LEU A 93 12.222 9.375 -7.325 1.00 0.00 C ATOM 1434 CD2 LEU A 93 12.768 10.707 -5.280 1.00 0.00 C ATOM 0 H LEU A 93 9.020 10.513 -5.405 1.00 0.00 H new ATOM 0 HA LEU A 93 10.825 12.689 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.166 11.041 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.577 12.059 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 93 10.969 9.612 -5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.772 8.534 -6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.407 9.002 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.894 9.979 -7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.311 9.848 -4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.453 11.343 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.338 11.275 -4.455 1.00 0.00 H new ATOM 1446 N ASP A 94 10.101 14.539 -6.596 1.00 0.00 N ATOM 1447 CA ASP A 94 9.538 15.709 -7.258 1.00 0.00 C ATOM 1448 C ASP A 94 9.816 15.671 -8.758 1.00 0.00 C ATOM 1449 O ASP A 94 10.551 14.810 -9.241 1.00 0.00 O ATOM 1450 CB ASP A 94 10.114 16.991 -6.653 1.00 0.00 C ATOM 1451 CG ASP A 94 9.141 18.151 -6.722 1.00 0.00 C ATOM 1452 OD1 ASP A 94 8.167 18.156 -5.940 1.00 0.00 O ATOM 1453 OD2 ASP A 94 9.354 19.055 -7.557 1.00 0.00 O ATOM 0 H ASP A 94 11.055 14.664 -6.258 1.00 0.00 H new ATOM 0 HA ASP A 94 8.459 15.697 -7.106 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.385 16.809 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.031 17.258 -7.179 1.00 0.00 H new ATOM 1458 N ALA A 95 9.222 16.609 -9.489 1.00 0.00 N ATOM 1459 CA ALA A 95 9.406 16.682 -10.933 1.00 0.00 C ATOM 1460 C ALA A 95 10.867 16.461 -11.312 1.00 0.00 C ATOM 1461 O ALA A 95 11.166 15.815 -12.316 1.00 0.00 O ATOM 1462 CB ALA A 95 8.920 18.025 -11.459 1.00 0.00 C ATOM 0 H ALA A 95 8.610 17.328 -9.105 1.00 0.00 H new ATOM 0 HA ALA A 95 8.815 15.889 -11.391 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.063 18.066 -12.539 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.861 18.145 -11.229 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.487 18.827 -10.987 1.00 0.00 H new ATOM 1468 N ARG A 96 11.772 17.002 -10.503 1.00 0.00 N ATOM 1469 CA ARG A 96 13.201 16.865 -10.755 1.00 0.00 C ATOM 1470 C ARG A 96 13.682 15.458 -10.410 1.00 0.00 C ATOM 1471 O ARG A 96 14.499 14.878 -11.123 1.00 0.00 O ATOM 1472 CB ARG A 96 13.985 17.897 -9.943 1.00 0.00 C ATOM 1473 CG ARG A 96 13.999 19.282 -10.570 1.00 0.00 C ATOM 1474 CD ARG A 96 15.228 20.072 -10.150 1.00 0.00 C ATOM 1475 NE ARG A 96 16.449 19.548 -10.756 1.00 0.00 N ATOM 1476 CZ ARG A 96 16.834 19.831 -11.996 1.00 0.00 C ATOM 1477 NH1 ARG A 96 16.097 20.629 -12.756 1.00 0.00 N ATOM 1478 NH2 ARG A 96 17.958 19.315 -12.477 1.00 0.00 N ATOM 0 H ARG A 96 11.541 17.539 -9.667 1.00 0.00 H new ATOM 0 HA ARG A 96 13.375 17.040 -11.817 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.554 17.964 -8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 96 15.012 17.550 -9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.977 19.191 -11.656 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.100 19.824 -10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 96 15.102 21.117 -10.434 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.322 20.046 -9.064 1.00 0.00 H new ATOM 0 HE ARG A 96 17.038 18.931 -10.197 1.00 0.00 H new ATOM 0 HH11 ARG A 96 15.233 21.027 -12.389 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.394 20.845 -13.707 1.00 0.00 H new ATOM 0 HH21 ARG A 96 18.527 18.701 -11.895 1.00 0.00 H new ATOM 0 HH22 ARG A 96 18.253 19.533 -13.429 1.00 0.00 H new ATOM 1492 N GLY A 97 13.169 14.917 -9.309 1.00 0.00 N ATOM 1493 CA GLY A 97 13.558 13.584 -8.887 1.00 0.00 C ATOM 1494 C GLY A 97 14.316 13.589 -7.575 1.00 0.00 C ATOM 1495 O GLY A 97 15.242 12.802 -7.383 1.00 0.00 O ATOM 0 H GLY A 97 12.491 15.378 -8.702 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.667 12.964 -8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.178 13.128 -9.659 1.00 0.00 H new ATOM 1499 N ASN A 98 13.924 14.479 -6.670 1.00 0.00 N ATOM 1500 CA ASN A 98 14.575 14.585 -5.369 1.00 0.00 C ATOM 1501 C ASN A 98 13.565 14.409 -4.239 1.00 0.00 C ATOM 1502 O ASN A 98 12.361 14.561 -4.440 1.00 0.00 O ATOM 1503 CB ASN A 98 15.276 15.939 -5.235 1.00 0.00 C ATOM 1504 CG ASN A 98 15.903 16.397 -6.538 1.00 0.00 C ATOM 1505 OD1 ASN A 98 16.955 15.900 -6.941 1.00 0.00 O ATOM 1506 ND2 ASN A 98 15.259 17.349 -7.202 1.00 0.00 N ATOM 0 H ASN A 98 13.158 15.138 -6.813 1.00 0.00 H new ATOM 0 HA ASN A 98 15.317 13.790 -5.296 1.00 0.00 H new ATOM 0 HB2 ASN A 98 14.557 16.686 -4.899 1.00 0.00 H new ATOM 0 HB3 ASN A 98 16.047 15.871 -4.468 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.633 17.698 -8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.390 17.732 -6.830 1.00 0.00 H new ATOM 1513 N ASN A 99 14.066 14.087 -3.051 1.00 0.00 N ATOM 1514 CA ASN A 99 13.208 13.890 -1.888 1.00 0.00 C ATOM 1515 C ASN A 99 12.809 15.228 -1.273 1.00 0.00 C ATOM 1516 O ASN A 99 13.536 15.787 -0.452 1.00 0.00 O ATOM 1517 CB ASN A 99 13.919 13.027 -0.844 1.00 0.00 C ATOM 1518 CG ASN A 99 14.668 11.865 -1.467 1.00 0.00 C ATOM 1519 OD1 ASN A 99 15.899 11.844 -1.488 1.00 0.00 O ATOM 1520 ND2 ASN A 99 13.926 10.889 -1.978 1.00 0.00 N ATOM 0 H ASN A 99 15.061 13.957 -2.868 1.00 0.00 H new ATOM 0 HA ASN A 99 12.304 13.378 -2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 99 14.617 13.645 -0.280 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.187 12.644 -0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.374 10.081 -2.410 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.908 10.948 -1.939 1.00 0.00 H new ATOM 1527 N VAL A 100 11.648 15.735 -1.675 1.00 0.00 N ATOM 1528 CA VAL A 100 11.151 17.007 -1.162 1.00 0.00 C ATOM 1529 C VAL A 100 10.571 16.845 0.238 1.00 0.00 C ATOM 1530 O VAL A 100 10.457 17.814 0.988 1.00 0.00 O ATOM 1531 CB VAL A 100 10.073 17.602 -2.088 1.00 0.00 C ATOM 1532 CG1 VAL A 100 10.664 17.940 -3.448 1.00 0.00 C ATOM 1533 CG2 VAL A 100 8.903 16.640 -2.229 1.00 0.00 C ATOM 0 H VAL A 100 11.034 15.285 -2.354 1.00 0.00 H new ATOM 0 HA VAL A 100 12.001 17.688 -1.123 1.00 0.00 H new ATOM 0 HB VAL A 100 9.703 18.525 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 100 9.888 18.359 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.466 18.668 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.063 17.035 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.151 17.076 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.254 15.699 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.464 16.454 -1.249 1.00 0.00 H new ATOM 1543 N GLU A 101 10.207 15.614 0.584 1.00 0.00 N ATOM 1544 CA GLU A 101 9.638 15.327 1.895 1.00 0.00 C ATOM 1545 C GLU A 101 10.071 13.948 2.386 1.00 0.00 C ATOM 1546 O GLU A 101 10.487 13.098 1.598 1.00 0.00 O ATOM 1547 CB GLU A 101 8.111 15.404 1.841 1.00 0.00 C ATOM 1548 CG GLU A 101 7.488 14.442 0.843 1.00 0.00 C ATOM 1549 CD GLU A 101 7.277 13.056 1.421 1.00 0.00 C ATOM 1550 OE1 GLU A 101 6.733 12.958 2.541 1.00 0.00 O ATOM 1551 OE2 GLU A 101 7.655 12.071 0.754 1.00 0.00 O ATOM 0 H GLU A 101 10.296 14.801 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 101 10.008 16.076 2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.710 15.196 2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.816 16.422 1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.531 14.841 0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.129 14.371 -0.036 1.00 0.00 H new ATOM 1558 N LYS A 102 9.972 13.734 3.693 1.00 0.00 N ATOM 1559 CA LYS A 102 10.353 12.460 4.292 1.00 0.00 C ATOM 1560 C LYS A 102 9.361 11.364 3.914 1.00 0.00 C ATOM 1561 O LYS A 102 8.146 11.561 3.929 1.00 0.00 O ATOM 1562 CB LYS A 102 10.430 12.591 5.814 1.00 0.00 C ATOM 1563 CG LYS A 102 11.753 13.148 6.311 1.00 0.00 C ATOM 1564 CD LYS A 102 12.021 12.746 7.752 1.00 0.00 C ATOM 1565 CE LYS A 102 11.344 13.694 8.730 1.00 0.00 C ATOM 1566 NZ LYS A 102 12.092 14.975 8.868 1.00 0.00 N ATOM 0 H LYS A 102 9.631 14.427 4.359 1.00 0.00 H new ATOM 0 HA LYS A 102 11.335 12.185 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.622 13.238 6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 102 10.266 11.611 6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.562 12.788 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.744 14.235 6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.662 11.731 7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.095 12.739 7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.329 13.901 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.263 13.213 9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.647 15.559 9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.077 14.775 9.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.074 15.487 7.963 1.00 0.00 H new ATOM 1580 N PRO A 103 9.889 10.180 3.569 1.00 0.00 N ATOM 1581 CA PRO A 103 9.067 9.029 3.184 1.00 0.00 C ATOM 1582 C PRO A 103 8.291 8.451 4.362 1.00 0.00 C ATOM 1583 O PRO A 103 8.362 8.966 5.479 1.00 0.00 O ATOM 1584 CB PRO A 103 10.094 8.017 2.670 1.00 0.00 C ATOM 1585 CG PRO A 103 11.363 8.381 3.361 1.00 0.00 C ATOM 1586 CD PRO A 103 11.329 9.874 3.530 1.00 0.00 C ATOM 0 HA PRO A 103 8.308 9.297 2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 103 9.795 6.995 2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.202 8.077 1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.439 7.881 4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 103 12.229 8.074 2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.831 10.186 4.446 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.826 10.383 2.704 1.00 0.00 H new ATOM 1594 N LEU A 104 7.552 7.377 4.107 1.00 0.00 N ATOM 1595 CA LEU A 104 6.763 6.727 5.148 1.00 0.00 C ATOM 1596 C LEU A 104 7.081 5.237 5.222 1.00 0.00 C ATOM 1597 O LEU A 104 7.760 4.694 4.351 1.00 0.00 O ATOM 1598 CB LEU A 104 5.270 6.929 4.884 1.00 0.00 C ATOM 1599 CG LEU A 104 4.840 6.915 3.417 1.00 0.00 C ATOM 1600 CD1 LEU A 104 4.522 5.497 2.967 1.00 0.00 C ATOM 1601 CD2 LEU A 104 3.639 7.826 3.204 1.00 0.00 C ATOM 0 H LEU A 104 7.483 6.938 3.189 1.00 0.00 H new ATOM 0 HA LEU A 104 7.022 7.183 6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.720 6.149 5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.970 7.882 5.321 1.00 0.00 H new ATOM 0 HG LEU A 104 5.666 7.289 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.218 5.507 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.407 4.872 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.713 5.095 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.347 7.803 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.808 7.482 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.901 8.846 3.486 1.00 0.00 H new ATOM 1613 N GLU A 105 6.583 4.581 6.266 1.00 0.00 N ATOM 1614 CA GLU A 105 6.814 3.154 6.452 1.00 0.00 C ATOM 1615 C GLU A 105 5.518 2.366 6.278 1.00 0.00 C ATOM 1616 O GLU A 105 4.865 2.000 7.256 1.00 0.00 O ATOM 1617 CB GLU A 105 7.404 2.886 7.838 1.00 0.00 C ATOM 1618 CG GLU A 105 7.786 1.433 8.066 1.00 0.00 C ATOM 1619 CD GLU A 105 8.379 1.195 9.441 1.00 0.00 C ATOM 1620 OE1 GLU A 105 7.603 1.099 10.414 1.00 0.00 O ATOM 1621 OE2 GLU A 105 9.621 1.104 9.543 1.00 0.00 O ATOM 0 H GLU A 105 6.017 5.015 6.995 1.00 0.00 H new ATOM 0 HA GLU A 105 7.524 2.825 5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.287 3.511 7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.680 3.186 8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.904 0.805 7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.505 1.127 7.306 1.00 0.00 H new ATOM 1628 N LEU A 106 5.152 2.110 5.027 1.00 0.00 N ATOM 1629 CA LEU A 106 3.934 1.366 4.723 1.00 0.00 C ATOM 1630 C LEU A 106 3.957 -0.009 5.382 1.00 0.00 C ATOM 1631 O LEU A 106 4.975 -0.702 5.360 1.00 0.00 O ATOM 1632 CB LEU A 106 3.768 1.217 3.210 1.00 0.00 C ATOM 1633 CG LEU A 106 2.778 0.148 2.746 1.00 0.00 C ATOM 1634 CD1 LEU A 106 1.373 0.723 2.662 1.00 0.00 C ATOM 1635 CD2 LEU A 106 3.203 -0.424 1.401 1.00 0.00 C ATOM 0 H LEU A 106 5.681 2.406 4.207 1.00 0.00 H new ATOM 0 HA LEU A 106 3.087 1.925 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.452 2.178 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.743 0.993 2.778 1.00 0.00 H new ATOM 0 HG LEU A 106 2.775 -0.660 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.682 -0.052 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.068 1.084 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.360 1.549 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.487 -1.183 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.235 0.374 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.192 -0.873 1.493 1.00 0.00 H new ATOM 1647 N ARG A 107 2.829 -0.399 5.966 1.00 0.00 N ATOM 1648 CA ARG A 107 2.720 -1.692 6.630 1.00 0.00 C ATOM 1649 C ARG A 107 1.779 -2.619 5.865 1.00 0.00 C ATOM 1650 O ARG A 107 0.785 -2.173 5.291 1.00 0.00 O ATOM 1651 CB ARG A 107 2.220 -1.512 8.065 1.00 0.00 C ATOM 1652 CG ARG A 107 3.336 -1.330 9.080 1.00 0.00 C ATOM 1653 CD ARG A 107 3.795 -2.664 9.649 1.00 0.00 C ATOM 1654 NE ARG A 107 2.735 -3.332 10.399 1.00 0.00 N ATOM 1655 CZ ARG A 107 2.958 -4.285 11.297 1.00 0.00 C ATOM 1656 NH1 ARG A 107 4.198 -4.679 11.556 1.00 0.00 N ATOM 1657 NH2 ARG A 107 1.941 -4.846 11.939 1.00 0.00 N ATOM 0 H ARG A 107 1.978 0.162 5.993 1.00 0.00 H new ATOM 0 HA ARG A 107 3.711 -2.145 6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.559 -0.646 8.105 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.624 -2.381 8.345 1.00 0.00 H new ATOM 0 HG2 ARG A 107 4.179 -0.825 8.609 1.00 0.00 H new ATOM 0 HG3 ARG A 107 2.991 -0.687 9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.127 -3.310 8.836 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.654 -2.504 10.300 1.00 0.00 H new ATOM 0 HE ARG A 107 1.770 -3.051 10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.982 -4.250 11.065 1.00 0.00 H new ATOM 0 HH12 ARG A 107 4.367 -5.411 12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.986 -4.546 11.743 1.00 0.00 H new ATOM 0 HH22 ARG A 107 2.114 -5.578 12.628 1.00 0.00 H new ATOM 1671 N ILE A 108 2.100 -3.908 5.862 1.00 0.00 N ATOM 1672 CA ILE A 108 1.283 -4.896 5.168 1.00 0.00 C ATOM 1673 C ILE A 108 1.042 -6.122 6.042 1.00 0.00 C ATOM 1674 O ILE A 108 1.985 -6.735 6.545 1.00 0.00 O ATOM 1675 CB ILE A 108 1.939 -5.342 3.848 1.00 0.00 C ATOM 1676 CG1 ILE A 108 2.146 -4.140 2.924 1.00 0.00 C ATOM 1677 CG2 ILE A 108 1.088 -6.401 3.165 1.00 0.00 C ATOM 1678 CD1 ILE A 108 3.184 -4.375 1.850 1.00 0.00 C ATOM 0 H ILE A 108 2.919 -4.293 6.332 1.00 0.00 H new ATOM 0 HA ILE A 108 0.329 -4.417 4.947 1.00 0.00 H new ATOM 0 HB ILE A 108 2.913 -5.776 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.197 -3.888 2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.443 -3.279 3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.565 -6.706 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.987 -7.266 3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.101 -5.992 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.278 -3.481 1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.145 -4.598 2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.879 -5.216 1.227 1.00 0.00 H new ATOM 1690 N LYS A 109 -0.226 -6.476 6.219 1.00 0.00 N ATOM 1691 CA LYS A 109 -0.593 -7.631 7.030 1.00 0.00 C ATOM 1692 C LYS A 109 -1.087 -8.777 6.153 1.00 0.00 C ATOM 1693 O LYS A 109 -2.078 -8.640 5.436 1.00 0.00 O ATOM 1694 CB LYS A 109 -1.674 -7.246 8.042 1.00 0.00 C ATOM 1695 CG LYS A 109 -1.641 -8.077 9.313 1.00 0.00 C ATOM 1696 CD LYS A 109 -2.982 -8.060 10.027 1.00 0.00 C ATOM 1697 CE LYS A 109 -3.139 -9.259 10.949 1.00 0.00 C ATOM 1698 NZ LYS A 109 -4.462 -9.264 11.632 1.00 0.00 N ATOM 0 H LYS A 109 -1.018 -5.979 5.811 1.00 0.00 H new ATOM 0 HA LYS A 109 0.296 -7.965 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.558 -6.194 8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.653 -7.352 7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.371 -9.105 9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.868 -7.693 9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.076 -7.141 10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.787 -8.058 9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.024 -10.177 10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.345 -9.249 11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.530 -10.097 12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.562 -8.400 12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.220 -9.299 10.921 1.00 0.00 H new ATOM 1712 N VAL A 110 -0.390 -9.907 6.217 1.00 0.00 N ATOM 1713 CA VAL A 110 -0.760 -11.078 5.430 1.00 0.00 C ATOM 1714 C VAL A 110 -1.759 -11.951 6.181 1.00 0.00 C ATOM 1715 O VAL A 110 -1.385 -12.722 7.067 1.00 0.00 O ATOM 1716 CB VAL A 110 0.475 -11.924 5.069 1.00 0.00 C ATOM 1717 CG1 VAL A 110 0.085 -13.074 4.152 1.00 0.00 C ATOM 1718 CG2 VAL A 110 1.545 -11.056 4.424 1.00 0.00 C ATOM 0 H VAL A 110 0.433 -10.037 6.805 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.220 -10.711 4.513 1.00 0.00 H new ATOM 0 HB VAL A 110 0.886 -12.346 5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.970 -13.661 3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.644 -13.709 4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.351 -12.677 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.411 -11.670 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.148 -10.604 3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.844 -10.271 5.119 1.00 0.00 H new ATOM 1728 N LEU A 111 -3.032 -11.827 5.822 1.00 0.00 N ATOM 1729 CA LEU A 111 -4.087 -12.606 6.461 1.00 0.00 C ATOM 1730 C LEU A 111 -4.067 -14.052 5.975 1.00 0.00 C ATOM 1731 O LEU A 111 -3.435 -14.370 4.968 1.00 0.00 O ATOM 1732 CB LEU A 111 -5.453 -11.980 6.178 1.00 0.00 C ATOM 1733 CG LEU A 111 -5.582 -10.486 6.477 1.00 0.00 C ATOM 1734 CD1 LEU A 111 -6.686 -9.866 5.635 1.00 0.00 C ATOM 1735 CD2 LEU A 111 -5.849 -10.261 7.959 1.00 0.00 C ATOM 0 H LEU A 111 -3.359 -11.194 5.092 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.908 -12.601 7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.694 -12.142 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.203 -12.513 6.763 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.641 -10.000 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.763 -8.803 5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.454 -9.996 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.634 -10.355 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.938 -9.192 8.155 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.776 -10.760 8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.024 -10.669 8.543 1.00 0.00 H new ATOM 1747 N ASP A 112 -4.764 -14.923 6.697 1.00 0.00 N ATOM 1748 CA ASP A 112 -4.829 -16.335 6.338 1.00 0.00 C ATOM 1749 C ASP A 112 -5.944 -16.588 5.328 1.00 0.00 C ATOM 1750 O ASP A 112 -6.924 -15.844 5.272 1.00 0.00 O ATOM 1751 CB ASP A 112 -5.050 -17.190 7.586 1.00 0.00 C ATOM 1752 CG ASP A 112 -6.095 -16.603 8.513 1.00 0.00 C ATOM 1753 OD1 ASP A 112 -5.900 -15.461 8.979 1.00 0.00 O ATOM 1754 OD2 ASP A 112 -7.109 -17.285 8.774 1.00 0.00 O ATOM 0 H ASP A 112 -5.292 -14.676 7.534 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.880 -16.613 5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.356 -18.192 7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.108 -17.292 8.124 1.00 0.00 H new ATOM 1759 N ILE A 113 -5.787 -17.640 4.532 1.00 0.00 N ATOM 1760 CA ILE A 113 -6.781 -17.990 3.525 1.00 0.00 C ATOM 1761 C ILE A 113 -8.155 -18.193 4.156 1.00 0.00 C ATOM 1762 O ILE A 113 -9.175 -17.819 3.578 1.00 0.00 O ATOM 1763 CB ILE A 113 -6.384 -19.269 2.764 1.00 0.00 C ATOM 1764 CG1 ILE A 113 -7.478 -19.654 1.765 1.00 0.00 C ATOM 1765 CG2 ILE A 113 -6.126 -20.408 3.740 1.00 0.00 C ATOM 1766 CD1 ILE A 113 -7.487 -18.796 0.519 1.00 0.00 C ATOM 0 H ILE A 113 -4.981 -18.265 4.565 1.00 0.00 H new ATOM 0 HA ILE A 113 -6.826 -17.158 2.823 1.00 0.00 H new ATOM 0 HB ILE A 113 -5.465 -19.075 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -7.345 -20.697 1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -8.449 -19.579 2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.847 -21.305 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -5.317 -20.132 4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -7.030 -20.604 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -8.287 -19.125 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -7.650 -17.754 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.530 -18.889 0.006 1.00 0.00 H new ATOM 1778 N ASN A 114 -8.173 -18.786 5.345 1.00 0.00 N ATOM 1779 CA ASN A 114 -9.421 -19.037 6.055 1.00 0.00 C ATOM 1780 C ASN A 114 -9.740 -17.895 7.016 1.00 0.00 C ATOM 1781 O ASN A 114 -10.340 -18.106 8.070 1.00 0.00 O ATOM 1782 CB ASN A 114 -9.338 -20.357 6.824 1.00 0.00 C ATOM 1783 CG ASN A 114 -8.982 -21.527 5.928 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -7.929 -22.146 6.086 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -9.859 -21.835 4.980 1.00 0.00 N ATOM 0 H ASN A 114 -7.337 -19.102 5.837 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.222 -19.103 5.318 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -8.592 -20.268 7.614 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -10.294 -20.552 7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.673 -22.612 4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.719 -21.295 4.886 1.00 0.00 H new ATOM 1792 N ASP A 115 -9.334 -16.686 6.644 1.00 0.00 N ATOM 1793 CA ASP A 115 -9.578 -15.510 7.471 1.00 0.00 C ATOM 1794 C ASP A 115 -10.969 -14.940 7.210 1.00 0.00 C ATOM 1795 O ASP A 115 -11.219 -14.340 6.166 1.00 0.00 O ATOM 1796 CB ASP A 115 -8.517 -14.441 7.200 1.00 0.00 C ATOM 1797 CG ASP A 115 -8.682 -13.224 8.089 1.00 0.00 C ATOM 1798 OD1 ASP A 115 -9.834 -12.780 8.280 1.00 0.00 O ATOM 1799 OD2 ASP A 115 -7.659 -12.716 8.594 1.00 0.00 O ATOM 0 H ASP A 115 -8.835 -16.495 5.775 1.00 0.00 H new ATOM 0 HA ASP A 115 -9.520 -15.813 8.516 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -7.526 -14.869 7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -8.572 -14.135 6.155 1.00 0.00 H new