USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=22 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 Set 1.1: A 33 LYS NZ :NH3+ -152:sc= -0.312 (180deg=0) USER MOD Set 1.2: A 35 HIS : no HE2:sc= 0.456 K(o=0.14,f=-7.9!) USER MOD Single : A 14 THR OG1 : rot -17:sc= 0.53 USER MOD Single : A 26 SER OG : rot -94:sc= 0.897 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0214) USER MOD Single : A 29 ASN : amide:sc= -3.57! C(o=-3.6!,f=-1.8!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.163 USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= -0.242 (180deg=-1.05) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0235 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.232 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 53 LYS NZ :NH3+ 147:sc= -0.0497 (180deg=-1.09) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 66 ASN : amide:sc= -2.26! C(o=-2.3!,f=-4.6!) USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0369) USER MOD Single : A 69 THR OG1 : rot 21:sc= 0.292! USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 75 THR OG1 : rot -39:sc= 1.04 USER MOD Single : A 76 SER OG : rot 33:sc= 0.912 USER MOD Single : A 83 THR OG1 : rot 46:sc= 0.586 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0002 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.19) USER MOD Single : A 99 ASN : amide:sc= -1.38! K(o=-1.4!,f=-0.062) USER MOD Single : A 102 LYS NZ :NH3+ 159:sc= -0.112 (180deg=-0.534) USER MOD Single : A 109 LYS NZ :NH3+ -155:sc= -0.17 (180deg=-0.724) USER MOD Single : A 114 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 182 N THR A 14 -1.551 7.290 4.844 1.00 0.00 N ATOM 183 CA THR A 14 -1.732 5.954 4.290 1.00 0.00 C ATOM 184 C THR A 14 -2.543 5.072 5.233 1.00 0.00 C ATOM 185 O THR A 14 -2.882 5.482 6.343 1.00 0.00 O ATOM 186 CB THR A 14 -0.378 5.275 4.008 1.00 0.00 C ATOM 187 OG1 THR A 14 0.609 5.748 4.932 1.00 0.00 O ATOM 188 CG2 THR A 14 0.080 5.551 2.584 1.00 0.00 C ATOM 0 HA THR A 14 -2.274 6.072 3.352 1.00 0.00 H new ATOM 0 HB THR A 14 -0.504 4.199 4.130 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.295 6.577 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.038 5.061 2.409 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.659 5.164 1.883 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.190 6.626 2.439 1.00 0.00 H new ATOM 196 N ALA A 15 -2.851 3.860 4.784 1.00 0.00 N ATOM 197 CA ALA A 15 -3.620 2.920 5.590 1.00 0.00 C ATOM 198 C ALA A 15 -2.996 1.529 5.554 1.00 0.00 C ATOM 199 O ALA A 15 -2.435 1.099 4.546 1.00 0.00 O ATOM 200 CB ALA A 15 -5.061 2.867 5.106 1.00 0.00 C ATOM 0 H ALA A 15 -2.580 3.506 3.867 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.608 3.269 6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.624 2.161 5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.509 3.857 5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.084 2.545 4.065 1.00 0.00 H new ATOM 206 N PRO A 16 -3.095 0.806 6.681 1.00 0.00 N ATOM 207 CA PRO A 16 -2.546 -0.547 6.803 1.00 0.00 C ATOM 208 C PRO A 16 -3.317 -1.564 5.968 1.00 0.00 C ATOM 209 O PRO A 16 -4.531 -1.709 6.114 1.00 0.00 O ATOM 210 CB PRO A 16 -2.696 -0.857 8.295 1.00 0.00 C ATOM 211 CG PRO A 16 -3.825 0.003 8.748 1.00 0.00 C ATOM 212 CD PRO A 16 -3.750 1.256 7.920 1.00 0.00 C ATOM 0 HA PRO A 16 -1.519 -0.604 6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.911 -1.913 8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.781 -0.629 8.841 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.781 -0.501 8.607 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.739 0.232 9.810 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.740 1.669 7.725 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.173 2.034 8.420 1.00 0.00 H new ATOM 220 N VAL A 17 -2.605 -2.265 5.092 1.00 0.00 N ATOM 221 CA VAL A 17 -3.222 -3.269 4.234 1.00 0.00 C ATOM 222 C VAL A 17 -3.202 -4.643 4.894 1.00 0.00 C ATOM 223 O VAL A 17 -2.187 -5.062 5.449 1.00 0.00 O ATOM 224 CB VAL A 17 -2.511 -3.356 2.871 1.00 0.00 C ATOM 225 CG1 VAL A 17 -3.410 -4.026 1.842 1.00 0.00 C ATOM 226 CG2 VAL A 17 -2.088 -1.973 2.401 1.00 0.00 C ATOM 0 H VAL A 17 -1.600 -2.156 4.958 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.255 -2.959 4.077 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.614 -3.965 2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.891 -4.079 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.658 -5.033 2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.326 -3.446 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.587 -2.054 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.968 -1.338 2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.405 -1.535 3.129 1.00 0.00 H new ATOM 236 N ALA A 18 -4.331 -5.342 4.829 1.00 0.00 N ATOM 237 CA ALA A 18 -4.443 -6.670 5.418 1.00 0.00 C ATOM 238 C ALA A 18 -5.066 -7.656 4.436 1.00 0.00 C ATOM 239 O ALA A 18 -6.285 -7.835 4.410 1.00 0.00 O ATOM 240 CB ALA A 18 -5.259 -6.612 6.701 1.00 0.00 C ATOM 0 H ALA A 18 -5.181 -5.010 4.374 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.439 -7.020 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.334 -7.611 7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.770 -5.947 7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.258 -6.236 6.480 1.00 0.00 H new ATOM 246 N LEU A 19 -4.225 -8.292 3.629 1.00 0.00 N ATOM 247 CA LEU A 19 -4.694 -9.260 2.643 1.00 0.00 C ATOM 248 C LEU A 19 -4.682 -10.672 3.218 1.00 0.00 C ATOM 249 O LEU A 19 -4.266 -10.886 4.357 1.00 0.00 O ATOM 250 CB LEU A 19 -3.822 -9.201 1.387 1.00 0.00 C ATOM 251 CG LEU A 19 -3.367 -7.808 0.950 1.00 0.00 C ATOM 252 CD1 LEU A 19 -2.085 -7.896 0.136 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.462 -7.116 0.150 1.00 0.00 C ATOM 0 H LEU A 19 -3.214 -8.155 3.638 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.720 -9.004 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.937 -9.814 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.374 -9.656 0.564 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.167 -7.216 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.776 -6.895 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.300 -8.350 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.258 -8.506 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.121 -6.126 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.694 -7.707 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.356 -7.019 0.766 1.00 0.00 H new ATOM 265 N ARG A 20 -5.140 -11.633 2.423 1.00 0.00 N ATOM 266 CA ARG A 20 -5.182 -13.026 2.853 1.00 0.00 C ATOM 267 C ARG A 20 -4.371 -13.910 1.911 1.00 0.00 C ATOM 268 O ARG A 20 -4.574 -13.891 0.698 1.00 0.00 O ATOM 269 CB ARG A 20 -6.628 -13.520 2.915 1.00 0.00 C ATOM 270 CG ARG A 20 -6.769 -15.019 2.708 1.00 0.00 C ATOM 271 CD ARG A 20 -8.223 -15.458 2.787 1.00 0.00 C ATOM 272 NE ARG A 20 -8.959 -15.135 1.568 1.00 0.00 N ATOM 273 CZ ARG A 20 -10.275 -15.270 1.447 1.00 0.00 C ATOM 274 NH1 ARG A 20 -10.995 -15.720 2.465 1.00 0.00 N ATOM 275 NH2 ARG A 20 -10.873 -14.955 0.305 1.00 0.00 N ATOM 0 H ARG A 20 -5.487 -11.473 1.477 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.742 -13.086 3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.053 -13.254 3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.213 -13.000 2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.357 -15.294 1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.187 -15.548 3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.268 -16.533 2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.702 -14.975 3.638 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.434 -14.787 0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.539 -15.964 3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.005 -15.823 2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.322 -14.609 -0.481 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.883 -15.059 0.213 1.00 0.00 H new ATOM 289 N GLU A 21 -3.451 -14.684 2.479 1.00 0.00 N ATOM 290 CA GLU A 21 -2.608 -15.574 1.689 1.00 0.00 C ATOM 291 C GLU A 21 -3.357 -16.853 1.327 1.00 0.00 C ATOM 292 O GLU A 21 -4.141 -17.372 2.121 1.00 0.00 O ATOM 293 CB GLU A 21 -1.330 -15.917 2.456 1.00 0.00 C ATOM 294 CG GLU A 21 -1.580 -16.697 3.736 1.00 0.00 C ATOM 295 CD GLU A 21 -1.579 -18.197 3.516 1.00 0.00 C ATOM 296 OE1 GLU A 21 -1.750 -18.625 2.355 1.00 0.00 O ATOM 297 OE2 GLU A 21 -1.408 -18.942 4.503 1.00 0.00 O ATOM 0 H GLU A 21 -3.271 -14.713 3.483 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.341 -15.057 0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.673 -16.498 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.804 -14.994 2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.814 -16.441 4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.539 -16.396 4.159 1.00 0.00 H new ATOM 304 N GLY A 22 -3.110 -17.357 0.122 1.00 0.00 N ATOM 305 CA GLY A 22 -3.768 -18.571 -0.324 1.00 0.00 C ATOM 306 C GLY A 22 -4.439 -18.404 -1.674 1.00 0.00 C ATOM 307 O GLY A 22 -4.032 -19.023 -2.656 1.00 0.00 O ATOM 0 H GLY A 22 -2.466 -16.946 -0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.036 -19.377 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.513 -18.869 0.414 1.00 0.00 H new ATOM 311 N GLU A 23 -5.470 -17.567 -1.721 1.00 0.00 N ATOM 312 CA GLU A 23 -6.199 -17.323 -2.960 1.00 0.00 C ATOM 313 C GLU A 23 -5.587 -16.158 -3.732 1.00 0.00 C ATOM 314 O GLU A 23 -5.097 -15.196 -3.140 1.00 0.00 O ATOM 315 CB GLU A 23 -7.672 -17.034 -2.662 1.00 0.00 C ATOM 316 CG GLU A 23 -8.589 -17.254 -3.854 1.00 0.00 C ATOM 317 CD GLU A 23 -8.927 -18.717 -4.068 1.00 0.00 C ATOM 318 OE1 GLU A 23 -8.099 -19.435 -4.666 1.00 0.00 O ATOM 319 OE2 GLU A 23 -10.018 -19.143 -3.637 1.00 0.00 O ATOM 0 H GLU A 23 -5.819 -17.047 -0.916 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.129 -18.220 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.999 -17.671 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.770 -16.002 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.510 -16.690 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.113 -16.860 -4.752 1.00 0.00 H new ATOM 326 N ASP A 24 -5.617 -16.253 -5.057 1.00 0.00 N ATOM 327 CA ASP A 24 -5.065 -15.208 -5.911 1.00 0.00 C ATOM 328 C ASP A 24 -5.607 -13.839 -5.513 1.00 0.00 C ATOM 329 O ASP A 24 -6.781 -13.700 -5.168 1.00 0.00 O ATOM 330 CB ASP A 24 -5.393 -15.493 -7.378 1.00 0.00 C ATOM 331 CG ASP A 24 -4.381 -14.881 -8.326 1.00 0.00 C ATOM 332 OD1 ASP A 24 -3.352 -15.534 -8.599 1.00 0.00 O ATOM 333 OD2 ASP A 24 -4.619 -13.749 -8.797 1.00 0.00 O ATOM 0 H ASP A 24 -6.018 -17.043 -5.563 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.983 -15.202 -5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.430 -16.571 -7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.384 -15.103 -7.608 1.00 0.00 H new ATOM 338 N LEU A 25 -4.743 -12.830 -5.561 1.00 0.00 N ATOM 339 CA LEU A 25 -5.134 -11.471 -5.204 1.00 0.00 C ATOM 340 C LEU A 25 -4.745 -10.486 -6.302 1.00 0.00 C ATOM 341 O LEU A 25 -4.023 -9.520 -6.056 1.00 0.00 O ATOM 342 CB LEU A 25 -4.482 -11.062 -3.883 1.00 0.00 C ATOM 343 CG LEU A 25 -4.511 -12.108 -2.768 1.00 0.00 C ATOM 344 CD1 LEU A 25 -3.322 -11.929 -1.837 1.00 0.00 C ATOM 345 CD2 LEU A 25 -5.817 -12.024 -1.991 1.00 0.00 C ATOM 0 H LEU A 25 -3.768 -12.928 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.218 -11.450 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.443 -10.799 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.976 -10.160 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.445 -13.097 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.360 -12.682 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.397 -12.041 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.356 -10.935 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.820 -12.776 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.914 -11.033 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.654 -12.203 -2.666 1.00 0.00 H new ATOM 357 N SER A 26 -5.230 -10.738 -7.514 1.00 0.00 N ATOM 358 CA SER A 26 -4.931 -9.874 -8.651 1.00 0.00 C ATOM 359 C SER A 26 -6.093 -8.927 -8.933 1.00 0.00 C ATOM 360 O SER A 26 -6.020 -8.085 -9.829 1.00 0.00 O ATOM 361 CB SER A 26 -4.631 -10.716 -9.893 1.00 0.00 C ATOM 362 OG SER A 26 -5.712 -11.582 -10.196 1.00 0.00 O ATOM 0 H SER A 26 -5.831 -11.532 -7.734 1.00 0.00 H new ATOM 0 HA SER A 26 -4.052 -9.279 -8.403 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.437 -10.061 -10.742 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.727 -11.302 -9.729 1.00 0.00 H new ATOM 0 HG SER A 26 -5.551 -12.460 -9.791 1.00 0.00 H new ATOM 368 N LYS A 27 -7.166 -9.071 -8.163 1.00 0.00 N ATOM 369 CA LYS A 27 -8.345 -8.228 -8.327 1.00 0.00 C ATOM 370 C LYS A 27 -8.397 -7.149 -7.250 1.00 0.00 C ATOM 371 O LYS A 27 -8.803 -6.017 -7.510 1.00 0.00 O ATOM 372 CB LYS A 27 -9.616 -9.079 -8.273 1.00 0.00 C ATOM 373 CG LYS A 27 -10.814 -8.424 -8.938 1.00 0.00 C ATOM 374 CD LYS A 27 -11.842 -9.454 -9.375 1.00 0.00 C ATOM 375 CE LYS A 27 -11.537 -9.991 -10.765 1.00 0.00 C ATOM 376 NZ LYS A 27 -12.510 -11.038 -11.181 1.00 0.00 N ATOM 0 H LYS A 27 -7.244 -9.764 -7.419 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.281 -7.742 -9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.422 -10.037 -8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.859 -9.289 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.275 -7.719 -8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.482 -7.850 -9.803 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.859 -10.278 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.835 -9.005 -9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.556 -9.171 -11.483 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.529 -10.405 -10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.268 -11.378 -12.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.474 -11.832 -10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.469 -10.636 -11.190 1.00 0.00 H new ATOM 390 N LYS A 28 -7.981 -7.507 -6.040 1.00 0.00 N ATOM 391 CA LYS A 28 -7.977 -6.569 -4.923 1.00 0.00 C ATOM 392 C LYS A 28 -7.150 -5.331 -5.255 1.00 0.00 C ATOM 393 O LYS A 28 -7.450 -4.231 -4.794 1.00 0.00 O ATOM 394 CB LYS A 28 -7.423 -7.244 -3.666 1.00 0.00 C ATOM 395 CG LYS A 28 -8.389 -8.225 -3.026 1.00 0.00 C ATOM 396 CD LYS A 28 -8.183 -8.311 -1.523 1.00 0.00 C ATOM 397 CE LYS A 28 -9.352 -9.003 -0.839 1.00 0.00 C ATOM 398 NZ LYS A 28 -9.549 -10.390 -1.343 1.00 0.00 N ATOM 0 H LYS A 28 -7.642 -8.440 -5.807 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.005 -6.258 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.502 -7.768 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.162 -6.477 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.413 -7.918 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.254 -9.211 -3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.262 -8.855 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.062 -7.308 -1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.179 -9.029 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.262 -8.425 -1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.299 -10.856 -0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.822 -10.359 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.663 -10.925 -1.242 1.00 0.00 H new ATOM 412 N ASN A 29 -6.108 -5.519 -6.059 1.00 0.00 N ATOM 413 CA ASN A 29 -5.239 -4.417 -6.454 1.00 0.00 C ATOM 414 C ASN A 29 -6.017 -3.363 -7.237 1.00 0.00 C ATOM 415 O ASN A 29 -7.031 -3.650 -7.872 1.00 0.00 O ATOM 416 CB ASN A 29 -4.072 -4.936 -7.297 1.00 0.00 C ATOM 417 CG ASN A 29 -4.532 -5.835 -8.428 1.00 0.00 C ATOM 418 OD1 ASN A 29 -5.451 -5.493 -9.174 1.00 0.00 O ATOM 419 ND2 ASN A 29 -3.894 -6.992 -8.562 1.00 0.00 N ATOM 0 H ASN A 29 -5.845 -6.424 -6.449 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.847 -3.955 -5.548 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.521 -4.091 -7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.381 -5.486 -6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.160 -7.638 -9.306 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.138 -7.235 -7.921 1.00 0.00 H new ATOM 426 N PRO A 30 -5.531 -2.114 -7.191 1.00 0.00 N ATOM 427 CA PRO A 30 -4.325 -1.760 -6.437 1.00 0.00 C ATOM 428 C PRO A 30 -4.541 -1.837 -4.929 1.00 0.00 C ATOM 429 O PRO A 30 -5.617 -1.508 -4.429 1.00 0.00 O ATOM 430 CB PRO A 30 -4.049 -0.317 -6.865 1.00 0.00 C ATOM 431 CG PRO A 30 -5.377 0.215 -7.282 1.00 0.00 C ATOM 432 CD PRO A 30 -6.123 -0.950 -7.871 1.00 0.00 C ATOM 0 HA PRO A 30 -3.501 -2.444 -6.641 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.629 0.266 -6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.332 -0.277 -7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.915 0.633 -6.431 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.265 1.016 -8.013 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.194 -0.877 -7.684 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.992 -1.006 -8.952 1.00 0.00 H new ATOM 440 N ILE A 31 -3.511 -2.271 -4.210 1.00 0.00 N ATOM 441 CA ILE A 31 -3.589 -2.389 -2.760 1.00 0.00 C ATOM 442 C ILE A 31 -2.837 -1.252 -2.075 1.00 0.00 C ATOM 443 O ILE A 31 -3.135 -0.895 -0.935 1.00 0.00 O ATOM 444 CB ILE A 31 -3.017 -3.733 -2.272 1.00 0.00 C ATOM 445 CG1 ILE A 31 -1.595 -3.930 -2.802 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.915 -4.881 -2.710 1.00 0.00 C ATOM 447 CD1 ILE A 31 -0.894 -5.136 -2.217 1.00 0.00 C ATOM 0 H ILE A 31 -2.613 -2.546 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.645 -2.336 -2.496 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.980 -3.721 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.631 -4.031 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.008 -3.038 -2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.498 -5.824 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.911 -4.745 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.980 -4.897 -3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.109 -5.214 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.826 -5.028 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.459 -6.037 -2.457 1.00 0.00 H new ATOM 459 N ALA A 32 -1.864 -0.685 -2.780 1.00 0.00 N ATOM 460 CA ALA A 32 -1.072 0.415 -2.242 1.00 0.00 C ATOM 461 C ALA A 32 -0.864 1.504 -3.288 1.00 0.00 C ATOM 462 O ALA A 32 -0.583 1.216 -4.452 1.00 0.00 O ATOM 463 CB ALA A 32 0.268 -0.098 -1.736 1.00 0.00 C ATOM 0 H ALA A 32 -1.605 -0.969 -3.725 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.620 0.851 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.849 0.734 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.102 -0.835 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.814 -0.561 -2.558 1.00 0.00 H new ATOM 469 N LYS A 33 -1.003 2.757 -2.867 1.00 0.00 N ATOM 470 CA LYS A 33 -0.830 3.890 -3.767 1.00 0.00 C ATOM 471 C LYS A 33 -0.919 5.209 -3.005 1.00 0.00 C ATOM 472 O LYS A 33 -1.604 5.302 -1.986 1.00 0.00 O ATOM 473 CB LYS A 33 -1.886 3.856 -4.874 1.00 0.00 C ATOM 474 CG LYS A 33 -3.293 4.148 -4.381 1.00 0.00 C ATOM 475 CD LYS A 33 -3.607 5.633 -4.438 1.00 0.00 C ATOM 476 CE LYS A 33 -5.083 5.901 -4.188 1.00 0.00 C ATOM 477 NZ LYS A 33 -5.373 7.358 -4.085 1.00 0.00 N ATOM 0 H LYS A 33 -1.235 3.013 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 33 0.160 3.816 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.620 4.584 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.872 2.874 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.013 3.599 -4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.402 3.791 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.009 6.161 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.325 6.028 -5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.672 5.470 -4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.392 5.403 -3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.204 7.504 -3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.553 7.847 -3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.565 7.742 -5.032 1.00 0.00 H new ATOM 491 N ILE A 34 -0.225 6.225 -3.506 1.00 0.00 N ATOM 492 CA ILE A 34 -0.230 7.538 -2.873 1.00 0.00 C ATOM 493 C ILE A 34 0.012 8.642 -3.897 1.00 0.00 C ATOM 494 O ILE A 34 0.552 8.397 -4.976 1.00 0.00 O ATOM 495 CB ILE A 34 0.840 7.634 -1.769 1.00 0.00 C ATOM 496 CG1 ILE A 34 2.241 7.577 -2.380 1.00 0.00 C ATOM 497 CG2 ILE A 34 0.653 6.518 -0.752 1.00 0.00 C ATOM 498 CD1 ILE A 34 2.764 6.169 -2.561 1.00 0.00 C ATOM 0 H ILE A 34 0.348 6.164 -4.348 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.215 7.670 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 34 0.727 8.589 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.227 8.078 -3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.929 8.133 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.416 6.599 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.334 6.601 -0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.743 5.553 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.762 6.205 -2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.810 5.671 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.097 5.615 -3.222 1.00 0.00 H new ATOM 510 N HIS A 35 -0.391 9.861 -3.550 1.00 0.00 N ATOM 511 CA HIS A 35 -0.216 11.005 -4.438 1.00 0.00 C ATOM 512 C HIS A 35 -0.031 12.291 -3.638 1.00 0.00 C ATOM 513 O HIS A 35 -0.883 12.658 -2.829 1.00 0.00 O ATOM 514 CB HIS A 35 -1.419 11.141 -5.372 1.00 0.00 C ATOM 515 CG HIS A 35 -2.731 10.875 -4.701 1.00 0.00 C ATOM 516 ND1 HIS A 35 -3.155 11.557 -3.580 1.00 0.00 N ATOM 517 CD2 HIS A 35 -3.717 9.997 -5.000 1.00 0.00 C ATOM 518 CE1 HIS A 35 -4.343 11.108 -3.217 1.00 0.00 C ATOM 519 NE2 HIS A 35 -4.707 10.161 -4.063 1.00 0.00 N ATOM 0 H HIS A 35 -0.840 10.081 -2.661 1.00 0.00 H new ATOM 0 HA HIS A 35 0.681 10.837 -5.034 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.432 12.147 -5.790 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.300 10.450 -6.207 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.633 12.293 -3.105 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.724 9.297 -5.823 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.919 11.456 -2.372 1.00 0.00 H new ATOM 528 N SER A 36 1.089 12.970 -3.868 1.00 0.00 N ATOM 529 CA SER A 36 1.388 14.212 -3.166 1.00 0.00 C ATOM 530 C SER A 36 0.446 15.327 -3.609 1.00 0.00 C ATOM 531 O SER A 36 0.503 15.786 -4.750 1.00 0.00 O ATOM 532 CB SER A 36 2.840 14.626 -3.414 1.00 0.00 C ATOM 533 OG SER A 36 3.055 15.977 -3.044 1.00 0.00 O ATOM 0 H SER A 36 1.804 12.680 -4.535 1.00 0.00 H new ATOM 0 HA SER A 36 1.244 14.041 -2.099 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.508 13.979 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.085 14.491 -4.467 1.00 0.00 H new ATOM 0 HG SER A 36 3.990 16.217 -3.211 1.00 0.00 H new ATOM 539 N ASP A 37 -0.419 15.758 -2.698 1.00 0.00 N ATOM 540 CA ASP A 37 -1.374 16.821 -2.993 1.00 0.00 C ATOM 541 C ASP A 37 -0.696 17.970 -3.732 1.00 0.00 C ATOM 542 O ASP A 37 -1.317 18.645 -4.555 1.00 0.00 O ATOM 543 CB ASP A 37 -2.012 17.335 -1.701 1.00 0.00 C ATOM 544 CG ASP A 37 -1.036 18.116 -0.844 1.00 0.00 C ATOM 545 OD1 ASP A 37 -0.138 17.488 -0.245 1.00 0.00 O ATOM 546 OD2 ASP A 37 -1.170 19.356 -0.771 1.00 0.00 O ATOM 0 H ASP A 37 -0.479 15.388 -1.749 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.153 16.409 -3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.863 17.970 -1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.398 16.491 -1.129 1.00 0.00 H new ATOM 551 N LEU A 38 0.580 18.189 -3.433 1.00 0.00 N ATOM 552 CA LEU A 38 1.342 19.258 -4.069 1.00 0.00 C ATOM 553 C LEU A 38 1.519 18.988 -5.560 1.00 0.00 C ATOM 554 O LEU A 38 1.396 19.894 -6.384 1.00 0.00 O ATOM 555 CB LEU A 38 2.710 19.403 -3.400 1.00 0.00 C ATOM 556 CG LEU A 38 2.765 20.320 -2.178 1.00 0.00 C ATOM 557 CD1 LEU A 38 3.922 19.932 -1.270 1.00 0.00 C ATOM 558 CD2 LEU A 38 2.887 21.775 -2.608 1.00 0.00 C ATOM 0 H LEU A 38 1.108 17.641 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 38 0.785 20.188 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.053 18.412 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.417 19.776 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 38 1.837 20.203 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.945 20.596 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.792 18.903 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.860 20.018 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.925 22.413 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.799 21.907 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.025 22.048 -3.217 1.00 0.00 H new ATOM 570 N ALA A 39 1.807 17.735 -5.899 1.00 0.00 N ATOM 571 CA ALA A 39 1.996 17.345 -7.291 1.00 0.00 C ATOM 572 C ALA A 39 0.887 17.907 -8.174 1.00 0.00 C ATOM 573 O ALA A 39 1.080 18.112 -9.372 1.00 0.00 O ATOM 574 CB ALA A 39 2.052 15.830 -7.411 1.00 0.00 C ATOM 0 H ALA A 39 1.914 16.973 -5.229 1.00 0.00 H new ATOM 0 HA ALA A 39 2.943 17.761 -7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.193 15.553 -8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.884 15.449 -6.819 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.119 15.401 -7.045 1.00 0.00 H new ATOM 580 N GLU A 40 -0.273 18.153 -7.575 1.00 0.00 N ATOM 581 CA GLU A 40 -1.413 18.690 -8.309 1.00 0.00 C ATOM 582 C GLU A 40 -1.608 20.172 -8.002 1.00 0.00 C ATOM 583 O GLU A 40 -1.608 21.009 -8.905 1.00 0.00 O ATOM 584 CB GLU A 40 -2.684 17.914 -7.960 1.00 0.00 C ATOM 585 CG GLU A 40 -3.854 18.216 -8.882 1.00 0.00 C ATOM 586 CD GLU A 40 -3.454 18.237 -10.344 1.00 0.00 C ATOM 587 OE1 GLU A 40 -3.271 17.146 -10.924 1.00 0.00 O ATOM 588 OE2 GLU A 40 -3.324 19.343 -10.909 1.00 0.00 O ATOM 0 H GLU A 40 -0.449 17.989 -6.584 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.211 18.581 -9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.469 16.846 -7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.971 18.146 -6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.632 17.467 -8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.284 19.181 -8.613 1.00 0.00 H new ATOM 595 N GLU A 41 -1.776 20.489 -6.722 1.00 0.00 N ATOM 596 CA GLU A 41 -1.974 21.869 -6.296 1.00 0.00 C ATOM 597 C GLU A 41 -1.085 22.818 -7.095 1.00 0.00 C ATOM 598 O GLU A 41 -1.539 23.860 -7.569 1.00 0.00 O ATOM 599 CB GLU A 41 -1.679 22.013 -4.802 1.00 0.00 C ATOM 600 CG GLU A 41 -2.893 21.787 -3.917 1.00 0.00 C ATOM 601 CD GLU A 41 -3.961 22.847 -4.109 1.00 0.00 C ATOM 602 OE1 GLU A 41 -3.607 23.986 -4.478 1.00 0.00 O ATOM 603 OE2 GLU A 41 -5.150 22.536 -3.891 1.00 0.00 O ATOM 0 H GLU A 41 -1.779 19.809 -5.962 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.015 22.133 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.900 21.303 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.283 23.011 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.317 20.806 -4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.580 21.777 -2.873 1.00 0.00 H new ATOM 610 N ARG A 42 0.183 22.449 -7.240 1.00 0.00 N ATOM 611 CA ARG A 42 1.137 23.267 -7.980 1.00 0.00 C ATOM 612 C ARG A 42 1.268 22.782 -9.421 1.00 0.00 C ATOM 613 O ARG A 42 0.899 23.486 -10.359 1.00 0.00 O ATOM 614 CB ARG A 42 2.505 23.238 -7.295 1.00 0.00 C ATOM 615 CG ARG A 42 2.581 24.107 -6.050 1.00 0.00 C ATOM 616 CD ARG A 42 2.693 25.581 -6.404 1.00 0.00 C ATOM 617 NE ARG A 42 4.033 25.931 -6.869 1.00 0.00 N ATOM 618 CZ ARG A 42 4.335 27.097 -7.430 1.00 0.00 C ATOM 619 NH1 ARG A 42 3.397 28.019 -7.596 1.00 0.00 N ATOM 620 NH2 ARG A 42 5.577 27.342 -7.827 1.00 0.00 N ATOM 0 H ARG A 42 0.574 21.589 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 42 0.765 24.292 -7.992 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.745 22.210 -7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.264 23.567 -8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.694 23.945 -5.438 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.441 23.810 -5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.965 25.824 -7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.443 26.184 -5.531 1.00 0.00 H new ATOM 0 HE ARG A 42 4.777 25.243 -6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.441 27.834 -7.293 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.631 28.913 -8.027 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.301 26.635 -7.702 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.808 28.237 -8.258 1.00 0.00 H new ATOM 634 N GLY A 43 1.796 21.573 -9.587 1.00 0.00 N ATOM 635 CA GLY A 43 1.966 21.014 -10.915 1.00 0.00 C ATOM 636 C GLY A 43 3.340 20.407 -11.117 1.00 0.00 C ATOM 637 O GLY A 43 4.007 20.677 -12.117 1.00 0.00 O ATOM 0 H GLY A 43 2.109 20.971 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.207 20.251 -11.084 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.804 21.795 -11.658 1.00 0.00 H new ATOM 641 N LEU A 44 3.767 19.584 -10.165 1.00 0.00 N ATOM 642 CA LEU A 44 5.072 18.937 -10.241 1.00 0.00 C ATOM 643 C LEU A 44 4.944 17.514 -10.775 1.00 0.00 C ATOM 644 O LEU A 44 3.838 17.009 -10.969 1.00 0.00 O ATOM 645 CB LEU A 44 5.736 18.919 -8.863 1.00 0.00 C ATOM 646 CG LEU A 44 5.786 20.258 -8.125 1.00 0.00 C ATOM 647 CD1 LEU A 44 4.545 20.438 -7.264 1.00 0.00 C ATOM 648 CD2 LEU A 44 7.045 20.352 -7.277 1.00 0.00 C ATOM 0 H LEU A 44 3.228 19.349 -9.331 1.00 0.00 H new ATOM 0 HA LEU A 44 5.694 19.509 -10.929 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.207 18.201 -8.236 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.756 18.552 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 44 5.810 21.059 -8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.597 21.396 -6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.657 20.415 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.490 19.632 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.064 21.311 -6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.052 19.544 -6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.923 20.268 -7.918 1.00 0.00 H new ATOM 660 N LYS A 45 6.082 16.870 -11.008 1.00 0.00 N ATOM 661 CA LYS A 45 6.099 15.503 -11.515 1.00 0.00 C ATOM 662 C LYS A 45 6.497 14.520 -10.418 1.00 0.00 C ATOM 663 O LYS A 45 7.231 13.563 -10.666 1.00 0.00 O ATOM 664 CB LYS A 45 7.068 15.387 -12.694 1.00 0.00 C ATOM 665 CG LYS A 45 8.371 16.139 -12.488 1.00 0.00 C ATOM 666 CD LYS A 45 8.275 17.569 -12.992 1.00 0.00 C ATOM 667 CE LYS A 45 8.554 17.654 -14.485 1.00 0.00 C ATOM 668 NZ LYS A 45 9.888 17.092 -14.832 1.00 0.00 N ATOM 0 H LYS A 45 7.006 17.273 -10.854 1.00 0.00 H new ATOM 0 HA LYS A 45 5.093 15.255 -11.853 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.290 14.334 -12.869 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.580 15.763 -13.593 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.627 16.142 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.177 15.622 -13.009 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.280 17.963 -12.784 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.985 18.195 -12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.780 17.115 -15.031 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.504 18.695 -14.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.234 17.535 -15.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.557 17.283 -14.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.806 16.065 -14.973 1.00 0.00 H new ATOM 682 N ILE A 46 6.006 14.762 -9.207 1.00 0.00 N ATOM 683 CA ILE A 46 6.309 13.897 -8.074 1.00 0.00 C ATOM 684 C ILE A 46 6.438 12.442 -8.513 1.00 0.00 C ATOM 685 O ILE A 46 5.577 11.915 -9.219 1.00 0.00 O ATOM 686 CB ILE A 46 5.227 13.998 -6.983 1.00 0.00 C ATOM 687 CG1 ILE A 46 5.131 15.433 -6.461 1.00 0.00 C ATOM 688 CG2 ILE A 46 5.529 13.034 -5.846 1.00 0.00 C ATOM 689 CD1 ILE A 46 6.475 16.054 -6.150 1.00 0.00 C ATOM 0 H ILE A 46 5.397 15.550 -8.986 1.00 0.00 H new ATOM 0 HA ILE A 46 7.260 14.236 -7.663 1.00 0.00 H new ATOM 0 HB ILE A 46 4.266 13.725 -7.419 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.619 16.047 -7.202 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.518 15.443 -5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.755 13.117 -5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.551 12.014 -6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.497 13.279 -5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.330 17.071 -5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.981 15.463 -5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.083 16.076 -7.054 1.00 0.00 H new ATOM 701 N THR A 47 7.519 11.795 -8.088 1.00 0.00 N ATOM 702 CA THR A 47 7.761 10.400 -8.436 1.00 0.00 C ATOM 703 C THR A 47 7.593 9.494 -7.222 1.00 0.00 C ATOM 704 O THR A 47 8.072 9.805 -6.132 1.00 0.00 O ATOM 705 CB THR A 47 9.174 10.203 -9.018 1.00 0.00 C ATOM 706 OG1 THR A 47 9.427 11.184 -10.030 1.00 0.00 O ATOM 707 CG2 THR A 47 9.327 8.809 -9.605 1.00 0.00 C ATOM 0 H THR A 47 8.241 12.215 -7.502 1.00 0.00 H new ATOM 0 HA THR A 47 7.024 10.130 -9.192 1.00 0.00 H new ATOM 0 HB THR A 47 9.897 10.320 -8.210 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.327 11.054 -10.394 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.332 8.693 -10.010 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.162 8.066 -8.825 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.597 8.667 -10.402 1.00 0.00 H new ATOM 715 N TYR A 48 6.910 8.371 -7.418 1.00 0.00 N ATOM 716 CA TYR A 48 6.678 7.420 -6.338 1.00 0.00 C ATOM 717 C TYR A 48 7.618 6.224 -6.453 1.00 0.00 C ATOM 718 O TYR A 48 7.931 5.768 -7.553 1.00 0.00 O ATOM 719 CB TYR A 48 5.224 6.943 -6.355 1.00 0.00 C ATOM 720 CG TYR A 48 4.228 8.045 -6.637 1.00 0.00 C ATOM 721 CD1 TYR A 48 4.021 9.071 -5.723 1.00 0.00 C ATOM 722 CD2 TYR A 48 3.493 8.060 -7.816 1.00 0.00 C ATOM 723 CE1 TYR A 48 3.112 10.080 -5.976 1.00 0.00 C ATOM 724 CE2 TYR A 48 2.583 9.065 -8.077 1.00 0.00 C ATOM 725 CZ TYR A 48 2.396 10.073 -7.154 1.00 0.00 C ATOM 726 OH TYR A 48 1.489 11.075 -7.411 1.00 0.00 O ATOM 0 H TYR A 48 6.508 8.098 -8.315 1.00 0.00 H new ATOM 0 HA TYR A 48 6.878 7.926 -5.393 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.115 6.164 -7.110 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.988 6.489 -5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.580 9.080 -4.799 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.636 7.272 -8.541 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.963 10.870 -5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.021 9.062 -8.999 1.00 0.00 H new ATOM 0 HH TYR A 48 1.071 10.922 -8.284 1.00 0.00 H new ATOM 736 N LYS A 49 8.067 5.721 -5.308 1.00 0.00 N ATOM 737 CA LYS A 49 8.971 4.577 -5.277 1.00 0.00 C ATOM 738 C LYS A 49 8.756 3.748 -4.014 1.00 0.00 C ATOM 739 O LYS A 49 8.521 4.293 -2.935 1.00 0.00 O ATOM 740 CB LYS A 49 10.425 5.048 -5.349 1.00 0.00 C ATOM 741 CG LYS A 49 11.436 3.940 -5.111 1.00 0.00 C ATOM 742 CD LYS A 49 12.826 4.344 -5.573 1.00 0.00 C ATOM 743 CE LYS A 49 13.908 3.640 -4.769 1.00 0.00 C ATOM 744 NZ LYS A 49 14.276 2.326 -5.367 1.00 0.00 N ATOM 0 H LYS A 49 7.820 6.088 -4.389 1.00 0.00 H new ATOM 0 HA LYS A 49 8.755 3.951 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.607 5.490 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.580 5.835 -4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.462 3.692 -4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.123 3.040 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.943 4.105 -6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.943 5.423 -5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.792 4.275 -4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.561 3.490 -3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.016 1.877 -4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.438 1.711 -5.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.631 2.472 -6.334 1.00 0.00 H new ATOM 758 N TYR A 50 8.840 2.430 -4.156 1.00 0.00 N ATOM 759 CA TYR A 50 8.654 1.527 -3.027 1.00 0.00 C ATOM 760 C TYR A 50 9.920 0.718 -2.762 1.00 0.00 C ATOM 761 O TYR A 50 10.502 0.135 -3.677 1.00 0.00 O ATOM 762 CB TYR A 50 7.478 0.584 -3.290 1.00 0.00 C ATOM 763 CG TYR A 50 6.152 1.295 -3.435 1.00 0.00 C ATOM 764 CD1 TYR A 50 5.429 1.694 -2.318 1.00 0.00 C ATOM 765 CD2 TYR A 50 5.623 1.569 -4.690 1.00 0.00 C ATOM 766 CE1 TYR A 50 4.217 2.343 -2.446 1.00 0.00 C ATOM 767 CE2 TYR A 50 4.411 2.220 -4.828 1.00 0.00 C ATOM 768 CZ TYR A 50 3.712 2.604 -3.703 1.00 0.00 C ATOM 769 OH TYR A 50 2.505 3.252 -3.835 1.00 0.00 O ATOM 0 H TYR A 50 9.036 1.963 -5.042 1.00 0.00 H new ATOM 0 HA TYR A 50 8.438 2.129 -2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.676 0.014 -4.198 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.409 -0.133 -2.472 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.822 1.493 -1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.168 1.268 -5.573 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.667 2.645 -1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.014 2.427 -5.811 1.00 0.00 H new ATOM 0 HH TYR A 50 2.293 3.359 -4.786 1.00 0.00 H new ATOM 779 N THR A 51 10.341 0.687 -1.502 1.00 0.00 N ATOM 780 CA THR A 51 11.538 -0.049 -1.114 1.00 0.00 C ATOM 781 C THR A 51 11.232 -1.051 -0.006 1.00 0.00 C ATOM 782 O THR A 51 10.182 -0.987 0.630 1.00 0.00 O ATOM 783 CB THR A 51 12.652 0.901 -0.637 1.00 0.00 C ATOM 784 OG1 THR A 51 12.215 1.630 0.515 1.00 0.00 O ATOM 785 CG2 THR A 51 13.043 1.873 -1.740 1.00 0.00 C ATOM 0 H THR A 51 9.871 1.163 -0.732 1.00 0.00 H new ATOM 0 HA THR A 51 11.881 -0.584 -2.000 1.00 0.00 H new ATOM 0 HB THR A 51 13.524 0.301 -0.377 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.930 2.231 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 51 13.831 2.534 -1.380 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.403 1.316 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.175 2.466 -2.027 1.00 0.00 H new ATOM 793 N GLY A 52 12.159 -1.978 0.219 1.00 0.00 N ATOM 794 CA GLY A 52 11.969 -2.981 1.251 1.00 0.00 C ATOM 795 C GLY A 52 11.869 -4.383 0.686 1.00 0.00 C ATOM 796 O GLY A 52 12.041 -4.590 -0.516 1.00 0.00 O ATOM 0 H GLY A 52 13.037 -2.052 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.800 -2.935 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.063 -2.753 1.812 1.00 0.00 H new ATOM 800 N LYS A 53 11.591 -5.351 1.553 1.00 0.00 N ATOM 801 CA LYS A 53 11.469 -6.742 1.135 1.00 0.00 C ATOM 802 C LYS A 53 10.371 -6.901 0.087 1.00 0.00 C ATOM 803 O LYS A 53 9.214 -6.563 0.331 1.00 0.00 O ATOM 804 CB LYS A 53 11.169 -7.635 2.341 1.00 0.00 C ATOM 805 CG LYS A 53 11.454 -9.106 2.095 1.00 0.00 C ATOM 806 CD LYS A 53 10.641 -9.994 3.022 1.00 0.00 C ATOM 807 CE LYS A 53 11.289 -10.109 4.393 1.00 0.00 C ATOM 808 NZ LYS A 53 10.992 -8.927 5.248 1.00 0.00 N ATOM 0 H LYS A 53 11.446 -5.197 2.551 1.00 0.00 H new ATOM 0 HA LYS A 53 12.418 -7.046 0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.762 -7.296 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.121 -7.518 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.225 -9.354 1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.516 -9.301 2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.635 -9.588 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.540 -10.986 2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.934 -11.013 4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.368 -10.211 4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.929 -9.225 6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.751 -8.224 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.088 -8.505 4.955 1.00 0.00 H new ATOM 822 N GLY A 54 10.743 -7.418 -1.080 1.00 0.00 N ATOM 823 CA GLY A 54 9.778 -7.613 -2.146 1.00 0.00 C ATOM 824 C GLY A 54 10.142 -6.850 -3.404 1.00 0.00 C ATOM 825 O GLY A 54 9.550 -7.067 -4.462 1.00 0.00 O ATOM 0 H GLY A 54 11.695 -7.705 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.706 -8.676 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.793 -7.294 -1.804 1.00 0.00 H new ATOM 829 N ILE A 55 11.117 -5.954 -3.290 1.00 0.00 N ATOM 830 CA ILE A 55 11.557 -5.156 -4.427 1.00 0.00 C ATOM 831 C ILE A 55 13.076 -5.190 -4.567 1.00 0.00 C ATOM 832 O ILE A 55 13.606 -5.584 -5.607 1.00 0.00 O ATOM 833 CB ILE A 55 11.098 -3.692 -4.300 1.00 0.00 C ATOM 834 CG1 ILE A 55 9.576 -3.624 -4.148 1.00 0.00 C ATOM 835 CG2 ILE A 55 11.551 -2.887 -5.508 1.00 0.00 C ATOM 836 CD1 ILE A 55 9.101 -2.425 -3.358 1.00 0.00 C ATOM 0 H ILE A 55 11.617 -5.763 -2.422 1.00 0.00 H new ATOM 0 HA ILE A 55 11.102 -5.595 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 55 11.554 -3.260 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.121 -3.600 -5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.227 -4.533 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.218 -1.854 -5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.639 -2.913 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.121 -3.316 -6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.013 -2.442 -3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.527 -2.458 -2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.420 -1.510 -3.858 1.00 0.00 H new ATOM 848 N THR A 56 13.771 -4.776 -3.513 1.00 0.00 N ATOM 849 CA THR A 56 15.228 -4.760 -3.517 1.00 0.00 C ATOM 850 C THR A 56 15.795 -6.064 -2.967 1.00 0.00 C ATOM 851 O THR A 56 16.579 -6.739 -3.632 1.00 0.00 O ATOM 852 CB THR A 56 15.779 -3.584 -2.688 1.00 0.00 C ATOM 853 OG1 THR A 56 15.290 -3.659 -1.345 1.00 0.00 O ATOM 854 CG2 THR A 56 15.378 -2.252 -3.306 1.00 0.00 C ATOM 0 H THR A 56 13.348 -4.447 -2.645 1.00 0.00 H new ATOM 0 HA THR A 56 15.539 -4.641 -4.555 1.00 0.00 H new ATOM 0 HB THR A 56 16.867 -3.651 -2.682 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.646 -2.909 -0.825 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.778 -1.436 -2.704 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.777 -2.186 -4.318 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.291 -2.179 -3.339 1.00 0.00 H new ATOM 862 N GLU A 57 15.392 -6.411 -1.748 1.00 0.00 N ATOM 863 CA GLU A 57 15.861 -7.635 -1.110 1.00 0.00 C ATOM 864 C GLU A 57 14.916 -8.797 -1.401 1.00 0.00 C ATOM 865 O GLU A 57 13.696 -8.639 -1.455 1.00 0.00 O ATOM 866 CB GLU A 57 15.987 -7.432 0.402 1.00 0.00 C ATOM 867 CG GLU A 57 17.245 -6.685 0.813 1.00 0.00 C ATOM 868 CD GLU A 57 18.455 -7.593 0.915 1.00 0.00 C ATOM 869 OE1 GLU A 57 18.328 -8.685 1.508 1.00 0.00 O ATOM 870 OE2 GLU A 57 19.528 -7.213 0.404 1.00 0.00 O ATOM 0 H GLU A 57 14.743 -5.862 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 57 16.842 -7.876 -1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.116 -6.884 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.976 -8.405 0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.448 -5.896 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.077 -6.200 1.775 1.00 0.00 H new ATOM 877 N PRO A 58 15.491 -9.993 -1.594 1.00 0.00 N ATOM 878 CA PRO A 58 14.719 -11.205 -1.883 1.00 0.00 C ATOM 879 C PRO A 58 13.911 -11.679 -0.679 1.00 0.00 C ATOM 880 O PRO A 58 14.225 -11.370 0.470 1.00 0.00 O ATOM 881 CB PRO A 58 15.795 -12.233 -2.243 1.00 0.00 C ATOM 882 CG PRO A 58 17.023 -11.756 -1.548 1.00 0.00 C ATOM 883 CD PRO A 58 16.939 -10.254 -1.544 1.00 0.00 C ATOM 0 HA PRO A 58 13.984 -11.042 -2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.515 -13.232 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.946 -12.287 -3.321 1.00 0.00 H new ATOM 0 HG2 PRO A 58 17.073 -12.147 -0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.921 -12.095 -2.065 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.393 -9.829 -0.649 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.455 -9.820 -2.400 1.00 0.00 H new ATOM 891 N PRO A 59 12.845 -12.448 -0.947 1.00 0.00 N ATOM 892 CA PRO A 59 12.461 -12.822 -2.311 1.00 0.00 C ATOM 893 C PRO A 59 11.929 -11.637 -3.110 1.00 0.00 C ATOM 894 O PRO A 59 11.036 -10.921 -2.656 1.00 0.00 O ATOM 895 CB PRO A 59 11.358 -13.861 -2.097 1.00 0.00 C ATOM 896 CG PRO A 59 10.788 -13.538 -0.759 1.00 0.00 C ATOM 897 CD PRO A 59 11.932 -13.011 0.062 1.00 0.00 C ATOM 0 HA PRO A 59 13.310 -13.193 -2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.599 -13.798 -2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.758 -14.874 -2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.993 -12.797 -0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.351 -14.423 -0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.601 -12.253 0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.410 -13.802 0.640 1.00 0.00 H new ATOM 905 N PHE A 60 12.483 -11.435 -4.301 1.00 0.00 N ATOM 906 CA PHE A 60 12.064 -10.336 -5.162 1.00 0.00 C ATOM 907 C PHE A 60 11.134 -10.833 -6.265 1.00 0.00 C ATOM 908 O PHE A 60 10.963 -12.037 -6.452 1.00 0.00 O ATOM 909 CB PHE A 60 13.285 -9.650 -5.780 1.00 0.00 C ATOM 910 CG PHE A 60 14.451 -10.574 -5.987 1.00 0.00 C ATOM 911 CD1 PHE A 60 14.298 -11.756 -6.694 1.00 0.00 C ATOM 912 CD2 PHE A 60 15.699 -10.262 -5.473 1.00 0.00 C ATOM 913 CE1 PHE A 60 15.369 -12.608 -6.887 1.00 0.00 C ATOM 914 CE2 PHE A 60 16.773 -11.110 -5.662 1.00 0.00 C ATOM 915 CZ PHE A 60 16.608 -12.285 -6.369 1.00 0.00 C ATOM 0 H PHE A 60 13.223 -12.018 -4.692 1.00 0.00 H new ATOM 0 HA PHE A 60 11.521 -9.615 -4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.001 -9.216 -6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.594 -8.827 -5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.331 -12.014 -7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.834 -9.345 -4.918 1.00 0.00 H new ATOM 0 HE1 PHE A 60 15.237 -13.525 -7.442 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.741 -10.854 -5.257 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.446 -12.950 -6.517 1.00 0.00 H new ATOM 925 N GLY A 61 10.534 -9.895 -6.992 1.00 0.00 N ATOM 926 CA GLY A 61 9.628 -10.257 -8.067 1.00 0.00 C ATOM 927 C GLY A 61 8.195 -10.399 -7.593 1.00 0.00 C ATOM 928 O GLY A 61 7.265 -10.401 -8.401 1.00 0.00 O ATOM 0 H GLY A 61 10.659 -8.892 -6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.676 -9.499 -8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.955 -11.196 -8.513 1.00 0.00 H new ATOM 932 N ILE A 62 8.015 -10.518 -6.282 1.00 0.00 N ATOM 933 CA ILE A 62 6.685 -10.662 -5.704 1.00 0.00 C ATOM 934 C ILE A 62 5.823 -9.439 -5.997 1.00 0.00 C ATOM 935 O ILE A 62 4.707 -9.559 -6.502 1.00 0.00 O ATOM 936 CB ILE A 62 6.754 -10.874 -4.180 1.00 0.00 C ATOM 937 CG1 ILE A 62 7.306 -12.265 -3.861 1.00 0.00 C ATOM 938 CG2 ILE A 62 5.379 -10.689 -3.557 1.00 0.00 C ATOM 939 CD1 ILE A 62 7.275 -12.605 -2.387 1.00 0.00 C ATOM 0 H ILE A 62 8.774 -10.518 -5.600 1.00 0.00 H new ATOM 0 HA ILE A 62 6.234 -11.541 -6.165 1.00 0.00 H new ATOM 0 HB ILE A 62 7.428 -10.130 -3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.730 -13.010 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.334 -12.330 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.444 -10.842 -2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.021 -9.680 -3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.685 -11.413 -3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.681 -13.605 -2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.875 -11.882 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.246 -12.573 -2.028 1.00 0.00 H new ATOM 951 N PHE A 63 6.349 -8.261 -5.677 1.00 0.00 N ATOM 952 CA PHE A 63 5.628 -7.014 -5.907 1.00 0.00 C ATOM 953 C PHE A 63 6.204 -6.266 -7.106 1.00 0.00 C ATOM 954 O PHE A 63 7.417 -6.254 -7.321 1.00 0.00 O ATOM 955 CB PHE A 63 5.689 -6.128 -4.661 1.00 0.00 C ATOM 956 CG PHE A 63 5.024 -6.737 -3.460 1.00 0.00 C ATOM 957 CD1 PHE A 63 3.667 -7.014 -3.468 1.00 0.00 C ATOM 958 CD2 PHE A 63 5.757 -7.034 -2.322 1.00 0.00 C ATOM 959 CE1 PHE A 63 3.053 -7.573 -2.364 1.00 0.00 C ATOM 960 CE2 PHE A 63 5.149 -7.594 -1.214 1.00 0.00 C ATOM 961 CZ PHE A 63 3.795 -7.865 -1.236 1.00 0.00 C ATOM 0 H PHE A 63 7.271 -8.144 -5.258 1.00 0.00 H new ATOM 0 HA PHE A 63 4.587 -7.259 -6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.732 -5.921 -4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.216 -5.171 -4.882 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.082 -6.790 -4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.816 -6.825 -2.301 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.994 -7.782 -2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.732 -7.819 -0.333 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.317 -8.304 -0.373 1.00 0.00 H new ATOM 971 N VAL A 64 5.326 -5.642 -7.884 1.00 0.00 N ATOM 972 CA VAL A 64 5.746 -4.890 -9.061 1.00 0.00 C ATOM 973 C VAL A 64 5.149 -3.487 -9.059 1.00 0.00 C ATOM 974 O VAL A 64 3.958 -3.308 -8.802 1.00 0.00 O ATOM 975 CB VAL A 64 5.337 -5.608 -10.361 1.00 0.00 C ATOM 976 CG1 VAL A 64 6.005 -6.972 -10.451 1.00 0.00 C ATOM 977 CG2 VAL A 64 3.823 -5.741 -10.442 1.00 0.00 C ATOM 0 H VAL A 64 4.319 -5.642 -7.721 1.00 0.00 H new ATOM 0 HA VAL A 64 6.833 -4.819 -9.020 1.00 0.00 H new ATOM 0 HB VAL A 64 5.673 -5.009 -11.207 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.704 -7.464 -11.376 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.088 -6.848 -10.442 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.702 -7.582 -9.600 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.551 -6.250 -11.367 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.462 -6.318 -9.590 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.369 -4.750 -10.427 1.00 0.00 H new ATOM 987 N PHE A 65 5.984 -2.495 -9.347 1.00 0.00 N ATOM 988 CA PHE A 65 5.539 -1.106 -9.378 1.00 0.00 C ATOM 989 C PHE A 65 6.213 -0.345 -10.517 1.00 0.00 C ATOM 990 O PHE A 65 7.072 -0.882 -11.213 1.00 0.00 O ATOM 991 CB PHE A 65 5.841 -0.422 -8.044 1.00 0.00 C ATOM 992 CG PHE A 65 7.244 0.104 -7.943 1.00 0.00 C ATOM 993 CD1 PHE A 65 7.551 1.384 -8.377 1.00 0.00 C ATOM 994 CD2 PHE A 65 8.257 -0.681 -7.416 1.00 0.00 C ATOM 995 CE1 PHE A 65 8.841 1.872 -8.286 1.00 0.00 C ATOM 996 CE2 PHE A 65 9.548 -0.199 -7.322 1.00 0.00 C ATOM 997 CZ PHE A 65 9.841 1.079 -7.758 1.00 0.00 C ATOM 0 H PHE A 65 6.972 -2.626 -9.562 1.00 0.00 H new ATOM 0 HA PHE A 65 4.462 -1.099 -9.546 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.142 0.402 -7.901 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.668 -1.131 -7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.773 2.008 -8.791 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.035 -1.681 -7.075 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.067 2.872 -8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.328 -0.821 -6.908 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.850 1.457 -7.686 1.00 0.00 H new ATOM 1007 N ASN A 66 5.814 0.910 -10.699 1.00 0.00 N ATOM 1008 CA ASN A 66 6.377 1.746 -11.753 1.00 0.00 C ATOM 1009 C ASN A 66 6.152 3.224 -11.453 1.00 0.00 C ATOM 1010 O ASN A 66 5.421 3.578 -10.528 1.00 0.00 O ATOM 1011 CB ASN A 66 5.755 1.387 -13.104 1.00 0.00 C ATOM 1012 CG ASN A 66 6.568 1.910 -14.272 1.00 0.00 C ATOM 1013 OD1 ASN A 66 7.767 2.161 -14.145 1.00 0.00 O ATOM 1014 ND2 ASN A 66 5.918 2.078 -15.417 1.00 0.00 N ATOM 0 H ASN A 66 5.103 1.370 -10.130 1.00 0.00 H new ATOM 0 HA ASN A 66 7.450 1.562 -11.795 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.666 0.304 -13.183 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.745 1.795 -13.156 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.412 2.428 -16.238 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.924 1.857 -15.476 1.00 0.00 H new ATOM 1021 N LYS A 67 6.786 4.085 -12.241 1.00 0.00 N ATOM 1022 CA LYS A 67 6.655 5.527 -12.063 1.00 0.00 C ATOM 1023 C LYS A 67 5.800 6.136 -13.169 1.00 0.00 C ATOM 1024 O LYS A 67 5.800 7.351 -13.369 1.00 0.00 O ATOM 1025 CB LYS A 67 8.036 6.187 -12.049 1.00 0.00 C ATOM 1026 CG LYS A 67 8.703 6.232 -13.413 1.00 0.00 C ATOM 1027 CD LYS A 67 9.797 7.285 -13.464 1.00 0.00 C ATOM 1028 CE LYS A 67 10.134 7.669 -14.897 1.00 0.00 C ATOM 1029 NZ LYS A 67 9.099 8.559 -15.491 1.00 0.00 N ATOM 0 H LYS A 67 7.397 3.809 -13.010 1.00 0.00 H new ATOM 0 HA LYS A 67 6.163 5.707 -11.107 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.940 7.203 -11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.681 5.646 -11.356 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.126 5.255 -13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.956 6.445 -14.178 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.477 8.170 -12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.691 6.907 -12.968 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.101 8.171 -14.920 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.228 6.767 -15.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.443 8.934 -16.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.225 8.018 -15.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.905 9.348 -14.842 1.00 0.00 H new ATOM 1043 N ASP A 68 5.072 5.286 -13.884 1.00 0.00 N ATOM 1044 CA ASP A 68 4.210 5.741 -14.969 1.00 0.00 C ATOM 1045 C ASP A 68 2.743 5.703 -14.550 1.00 0.00 C ATOM 1046 O ASP A 68 1.945 6.543 -14.966 1.00 0.00 O ATOM 1047 CB ASP A 68 4.420 4.878 -16.213 1.00 0.00 C ATOM 1048 CG ASP A 68 5.563 5.376 -17.077 1.00 0.00 C ATOM 1049 OD1 ASP A 68 6.457 6.063 -16.540 1.00 0.00 O ATOM 1050 OD2 ASP A 68 5.563 5.077 -18.289 1.00 0.00 O ATOM 0 H ASP A 68 5.061 4.277 -13.732 1.00 0.00 H new ATOM 0 HA ASP A 68 4.476 6.772 -15.203 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.619 3.850 -15.909 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.503 4.865 -16.801 1.00 0.00 H new ATOM 1055 N THR A 69 2.394 4.721 -13.724 1.00 0.00 N ATOM 1056 CA THR A 69 1.024 4.571 -13.251 1.00 0.00 C ATOM 1057 C THR A 69 0.940 4.760 -11.741 1.00 0.00 C ATOM 1058 O THR A 69 -0.144 4.931 -11.186 1.00 0.00 O ATOM 1059 CB THR A 69 0.452 3.188 -13.616 1.00 0.00 C ATOM 1060 OG1 THR A 69 -0.540 2.800 -12.658 1.00 0.00 O ATOM 1061 CG2 THR A 69 1.555 2.142 -13.665 1.00 0.00 C ATOM 0 H THR A 69 3.042 4.018 -13.369 1.00 0.00 H new ATOM 0 HA THR A 69 0.433 5.343 -13.745 1.00 0.00 H new ATOM 0 HB THR A 69 -0.005 3.257 -14.603 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.881 3.596 -12.200 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.127 1.174 -13.925 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.292 2.426 -14.416 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.037 2.076 -12.690 1.00 0.00 H new ATOM 1069 N GLY A 70 2.094 4.730 -11.080 1.00 0.00 N ATOM 1070 CA GLY A 70 2.128 4.901 -9.639 1.00 0.00 C ATOM 1071 C GLY A 70 1.155 3.985 -8.924 1.00 0.00 C ATOM 1072 O GLY A 70 0.389 4.430 -8.069 1.00 0.00 O ATOM 0 H GLY A 70 3.005 4.590 -11.517 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.138 4.707 -9.277 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.894 5.937 -9.393 1.00 0.00 H new ATOM 1076 N GLU A 71 1.183 2.703 -9.275 1.00 0.00 N ATOM 1077 CA GLU A 71 0.293 1.724 -8.661 1.00 0.00 C ATOM 1078 C GLU A 71 1.070 0.490 -8.212 1.00 0.00 C ATOM 1079 O GLU A 71 2.066 0.110 -8.829 1.00 0.00 O ATOM 1080 CB GLU A 71 -0.808 1.318 -9.642 1.00 0.00 C ATOM 1081 CG GLU A 71 -2.020 2.234 -9.610 1.00 0.00 C ATOM 1082 CD GLU A 71 -2.993 1.954 -10.739 1.00 0.00 C ATOM 1083 OE1 GLU A 71 -3.197 0.765 -11.064 1.00 0.00 O ATOM 1084 OE2 GLU A 71 -3.549 2.922 -11.298 1.00 0.00 O ATOM 0 H GLU A 71 1.811 2.318 -9.980 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.163 2.184 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.398 1.308 -10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.126 0.300 -9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.534 2.118 -8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.689 3.271 -9.670 1.00 0.00 H new ATOM 1091 N LEU A 72 0.608 -0.131 -7.132 1.00 0.00 N ATOM 1092 CA LEU A 72 1.259 -1.322 -6.598 1.00 0.00 C ATOM 1093 C LEU A 72 0.347 -2.539 -6.713 1.00 0.00 C ATOM 1094 O LEU A 72 -0.751 -2.559 -6.158 1.00 0.00 O ATOM 1095 CB LEU A 72 1.651 -1.101 -5.136 1.00 0.00 C ATOM 1096 CG LEU A 72 2.515 -2.191 -4.500 1.00 0.00 C ATOM 1097 CD1 LEU A 72 3.966 -2.042 -4.932 1.00 0.00 C ATOM 1098 CD2 LEU A 72 2.401 -2.146 -2.984 1.00 0.00 C ATOM 0 H LEU A 72 -0.214 0.170 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 72 2.158 -1.508 -7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.185 -0.154 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.739 -0.999 -4.548 1.00 0.00 H new ATOM 0 HG LEU A 72 2.153 -3.160 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.566 -2.826 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.033 -2.126 -6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.340 -1.067 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.022 -2.929 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.736 -1.174 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.363 -2.303 -2.692 1.00 0.00 H new ATOM 1110 N ASN A 73 0.810 -3.553 -7.436 1.00 0.00 N ATOM 1111 CA ASN A 73 0.037 -4.776 -7.623 1.00 0.00 C ATOM 1112 C ASN A 73 0.853 -6.002 -7.228 1.00 0.00 C ATOM 1113 O ASN A 73 2.073 -6.029 -7.393 1.00 0.00 O ATOM 1114 CB ASN A 73 -0.418 -4.899 -9.079 1.00 0.00 C ATOM 1115 CG ASN A 73 -0.625 -3.548 -9.736 1.00 0.00 C ATOM 1116 OD1 ASN A 73 -1.697 -2.953 -9.633 1.00 0.00 O ATOM 1117 ND2 ASN A 73 0.405 -3.057 -10.417 1.00 0.00 N ATOM 0 H ASN A 73 1.717 -3.552 -7.902 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.840 -4.723 -6.978 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.325 -5.464 -9.642 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.348 -5.466 -9.120 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.325 -2.152 -10.881 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.276 -3.585 -10.476 1.00 0.00 H new ATOM 1124 N VAL A 74 0.172 -7.017 -6.705 1.00 0.00 N ATOM 1125 CA VAL A 74 0.833 -8.248 -6.288 1.00 0.00 C ATOM 1126 C VAL A 74 0.827 -9.282 -7.408 1.00 0.00 C ATOM 1127 O VAL A 74 -0.174 -9.455 -8.104 1.00 0.00 O ATOM 1128 CB VAL A 74 0.159 -8.853 -5.043 1.00 0.00 C ATOM 1129 CG1 VAL A 74 -1.259 -9.300 -5.367 1.00 0.00 C ATOM 1130 CG2 VAL A 74 0.982 -10.012 -4.502 1.00 0.00 C ATOM 0 H VAL A 74 -0.838 -7.011 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 74 1.863 -7.987 -6.044 1.00 0.00 H new ATOM 0 HB VAL A 74 0.105 -8.085 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.719 -9.725 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.843 -8.443 -5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.232 -10.053 -6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.491 -10.428 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.070 -10.784 -5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.976 -9.656 -4.229 1.00 0.00 H new ATOM 1140 N THR A 75 1.953 -9.969 -7.578 1.00 0.00 N ATOM 1141 CA THR A 75 2.078 -10.986 -8.615 1.00 0.00 C ATOM 1142 C THR A 75 2.474 -12.332 -8.019 1.00 0.00 C ATOM 1143 O THR A 75 3.119 -13.148 -8.677 1.00 0.00 O ATOM 1144 CB THR A 75 3.119 -10.581 -9.676 1.00 0.00 C ATOM 1145 OG1 THR A 75 4.428 -10.561 -9.095 1.00 0.00 O ATOM 1146 CG2 THR A 75 2.796 -9.213 -10.257 1.00 0.00 C ATOM 0 H THR A 75 2.791 -9.839 -7.011 1.00 0.00 H new ATOM 0 HA THR A 75 1.101 -11.075 -9.090 1.00 0.00 H new ATOM 0 HB THR A 75 3.090 -11.316 -10.481 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.379 -10.186 -8.191 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.545 -8.949 -11.004 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.811 -9.239 -10.724 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.800 -8.469 -9.460 1.00 0.00 H new ATOM 1154 N SER A 76 2.082 -12.558 -6.769 1.00 0.00 N ATOM 1155 CA SER A 76 2.399 -13.806 -6.083 1.00 0.00 C ATOM 1156 C SER A 76 1.489 -14.007 -4.874 1.00 0.00 C ATOM 1157 O SER A 76 0.907 -13.053 -4.357 1.00 0.00 O ATOM 1158 CB SER A 76 3.863 -13.811 -5.640 1.00 0.00 C ATOM 1159 OG SER A 76 4.708 -14.274 -6.680 1.00 0.00 O ATOM 0 H SER A 76 1.545 -11.894 -6.211 1.00 0.00 H new ATOM 0 HA SER A 76 2.235 -14.628 -6.780 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.161 -12.805 -5.346 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.979 -14.447 -4.762 1.00 0.00 H new ATOM 0 HG SER A 76 4.337 -14.006 -7.547 1.00 0.00 H new ATOM 1165 N ILE A 77 1.374 -15.253 -4.430 1.00 0.00 N ATOM 1166 CA ILE A 77 0.537 -15.580 -3.282 1.00 0.00 C ATOM 1167 C ILE A 77 1.326 -15.480 -1.980 1.00 0.00 C ATOM 1168 O ILE A 77 2.124 -16.361 -1.656 1.00 0.00 O ATOM 1169 CB ILE A 77 -0.056 -16.996 -3.402 1.00 0.00 C ATOM 1170 CG1 ILE A 77 -0.754 -17.168 -4.753 1.00 0.00 C ATOM 1171 CG2 ILE A 77 -1.026 -17.263 -2.261 1.00 0.00 C ATOM 1172 CD1 ILE A 77 -2.040 -16.381 -4.872 1.00 0.00 C ATOM 0 H ILE A 77 1.850 -16.053 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.276 -14.855 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 77 0.756 -17.720 -3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.074 -16.859 -5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.968 -18.225 -4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.437 -18.268 -2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.501 -17.178 -1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.837 -16.535 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.480 -16.550 -5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.738 -16.706 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.830 -15.319 -4.747 1.00 0.00 H new ATOM 1184 N LEU A 78 1.096 -14.403 -1.238 1.00 0.00 N ATOM 1185 CA LEU A 78 1.784 -14.188 0.031 1.00 0.00 C ATOM 1186 C LEU A 78 2.015 -15.510 0.756 1.00 0.00 C ATOM 1187 O LEU A 78 1.230 -16.448 0.622 1.00 0.00 O ATOM 1188 CB LEU A 78 0.974 -13.241 0.919 1.00 0.00 C ATOM 1189 CG LEU A 78 0.880 -11.791 0.443 1.00 0.00 C ATOM 1190 CD1 LEU A 78 0.322 -10.903 1.544 1.00 0.00 C ATOM 1191 CD2 LEU A 78 2.242 -11.289 -0.011 1.00 0.00 C ATOM 0 H LEU A 78 0.439 -13.665 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 78 2.753 -13.737 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.037 -13.638 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.412 -13.247 1.917 1.00 0.00 H new ATOM 0 HG LEU A 78 0.199 -11.751 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.262 -9.875 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.674 -11.249 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.977 -10.947 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.156 -10.255 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.945 -11.343 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.603 -11.908 -0.833 1.00 0.00 H new ATOM 1203 N ASP A 79 3.097 -15.575 1.525 1.00 0.00 N ATOM 1204 CA ASP A 79 3.430 -16.781 2.274 1.00 0.00 C ATOM 1205 C ASP A 79 3.644 -16.461 3.751 1.00 0.00 C ATOM 1206 O ASP A 79 4.777 -16.427 4.230 1.00 0.00 O ATOM 1207 CB ASP A 79 4.684 -17.437 1.695 1.00 0.00 C ATOM 1208 CG ASP A 79 4.363 -18.429 0.594 1.00 0.00 C ATOM 1209 OD1 ASP A 79 3.876 -17.996 -0.471 1.00 0.00 O ATOM 1210 OD2 ASP A 79 4.597 -19.639 0.799 1.00 0.00 O ATOM 0 H ASP A 79 3.758 -14.807 1.646 1.00 0.00 H new ATOM 0 HA ASP A 79 2.594 -17.475 2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.346 -16.665 1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.225 -17.946 2.492 1.00 0.00 H new ATOM 1215 N ARG A 80 2.548 -16.227 4.465 1.00 0.00 N ATOM 1216 CA ARG A 80 2.616 -15.908 5.886 1.00 0.00 C ATOM 1217 C ARG A 80 3.774 -16.645 6.554 1.00 0.00 C ATOM 1218 O ARG A 80 4.705 -16.023 7.064 1.00 0.00 O ATOM 1219 CB ARG A 80 1.300 -16.271 6.576 1.00 0.00 C ATOM 1220 CG ARG A 80 1.270 -15.920 8.054 1.00 0.00 C ATOM 1221 CD ARG A 80 0.137 -16.634 8.773 1.00 0.00 C ATOM 1222 NE ARG A 80 0.101 -16.310 10.197 1.00 0.00 N ATOM 1223 CZ ARG A 80 -0.455 -15.207 10.685 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -1.020 -14.328 9.869 1.00 0.00 N ATOM 1225 NH2 ARG A 80 -0.448 -14.982 11.993 1.00 0.00 N ATOM 0 H ARG A 80 1.603 -16.252 4.083 1.00 0.00 H new ATOM 0 HA ARG A 80 2.785 -14.836 5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.482 -15.756 6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.123 -17.340 6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.221 -16.190 8.513 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.155 -14.842 8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.813 -16.359 8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.251 -17.711 8.649 1.00 0.00 H new ATOM 0 HE ARG A 80 0.526 -16.966 10.852 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.029 -14.498 8.863 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.446 -13.482 10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.015 -15.656 12.624 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.875 -14.135 12.367 1.00 0.00 H new ATOM 1239 N GLU A 81 3.706 -17.972 6.547 1.00 0.00 N ATOM 1240 CA GLU A 81 4.748 -18.793 7.153 1.00 0.00 C ATOM 1241 C GLU A 81 6.118 -18.140 6.991 1.00 0.00 C ATOM 1242 O GLU A 81 6.865 -17.996 7.958 1.00 0.00 O ATOM 1243 CB GLU A 81 4.758 -20.188 6.526 1.00 0.00 C ATOM 1244 CG GLU A 81 3.724 -21.130 7.120 1.00 0.00 C ATOM 1245 CD GLU A 81 4.137 -22.586 7.023 1.00 0.00 C ATOM 1246 OE1 GLU A 81 4.275 -23.090 5.889 1.00 0.00 O ATOM 1247 OE2 GLU A 81 4.324 -23.221 8.082 1.00 0.00 O ATOM 0 H GLU A 81 2.941 -18.502 6.129 1.00 0.00 H new ATOM 0 HA GLU A 81 4.531 -18.883 8.217 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.581 -20.097 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.749 -20.625 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.561 -20.871 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.773 -20.991 6.605 1.00 0.00 H new ATOM 1254 N GLU A 82 6.439 -17.749 5.762 1.00 0.00 N ATOM 1255 CA GLU A 82 7.719 -17.113 5.473 1.00 0.00 C ATOM 1256 C GLU A 82 7.632 -15.602 5.669 1.00 0.00 C ATOM 1257 O GLU A 82 8.302 -15.037 6.534 1.00 0.00 O ATOM 1258 CB GLU A 82 8.159 -17.429 4.042 1.00 0.00 C ATOM 1259 CG GLU A 82 9.561 -16.942 3.715 1.00 0.00 C ATOM 1260 CD GLU A 82 10.608 -17.502 4.659 1.00 0.00 C ATOM 1261 OE1 GLU A 82 10.382 -18.598 5.213 1.00 0.00 O ATOM 1262 OE2 GLU A 82 11.653 -16.843 4.843 1.00 0.00 O ATOM 0 H GLU A 82 5.831 -17.861 4.951 1.00 0.00 H new ATOM 0 HA GLU A 82 8.459 -17.510 6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.112 -18.507 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.454 -16.975 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.811 -17.225 2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.583 -15.853 3.759 1.00 0.00 H new ATOM 1269 N THR A 83 6.803 -14.953 4.858 1.00 0.00 N ATOM 1270 CA THR A 83 6.629 -13.508 4.940 1.00 0.00 C ATOM 1271 C THR A 83 5.284 -13.150 5.561 1.00 0.00 C ATOM 1272 O THR A 83 4.294 -12.919 4.866 1.00 0.00 O ATOM 1273 CB THR A 83 6.731 -12.851 3.550 1.00 0.00 C ATOM 1274 OG1 THR A 83 5.780 -13.441 2.658 1.00 0.00 O ATOM 1275 CG2 THR A 83 8.133 -13.005 2.981 1.00 0.00 C ATOM 0 H THR A 83 6.241 -15.405 4.137 1.00 0.00 H new ATOM 0 HA THR A 83 7.431 -13.128 5.574 1.00 0.00 H new ATOM 0 HB THR A 83 6.515 -11.788 3.658 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.911 -13.511 3.106 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.181 -12.534 1.999 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.851 -12.528 3.648 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.373 -14.064 2.887 1.00 0.00 H new ATOM 1283 N PRO A 84 5.243 -13.102 6.900 1.00 0.00 N ATOM 1284 CA PRO A 84 4.024 -12.771 7.645 1.00 0.00 C ATOM 1285 C PRO A 84 3.625 -11.309 7.482 1.00 0.00 C ATOM 1286 O PRO A 84 2.486 -10.932 7.756 1.00 0.00 O ATOM 1287 CB PRO A 84 4.406 -13.064 9.098 1.00 0.00 C ATOM 1288 CG PRO A 84 5.888 -12.916 9.138 1.00 0.00 C ATOM 1289 CD PRO A 84 6.385 -13.366 7.792 1.00 0.00 C ATOM 0 HA PRO A 84 3.164 -13.340 7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.920 -12.369 9.783 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.100 -14.068 9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.172 -11.882 9.333 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.319 -13.521 9.936 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.271 -12.811 7.485 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.656 -14.422 7.796 1.00 0.00 H new ATOM 1297 N PHE A 85 4.570 -10.488 7.035 1.00 0.00 N ATOM 1298 CA PHE A 85 4.317 -9.066 6.837 1.00 0.00 C ATOM 1299 C PHE A 85 5.394 -8.439 5.956 1.00 0.00 C ATOM 1300 O PHE A 85 6.439 -9.041 5.711 1.00 0.00 O ATOM 1301 CB PHE A 85 4.260 -8.344 8.185 1.00 0.00 C ATOM 1302 CG PHE A 85 5.456 -8.603 9.054 1.00 0.00 C ATOM 1303 CD1 PHE A 85 6.638 -7.907 8.855 1.00 0.00 C ATOM 1304 CD2 PHE A 85 5.400 -9.543 10.071 1.00 0.00 C ATOM 1305 CE1 PHE A 85 7.741 -8.142 9.654 1.00 0.00 C ATOM 1306 CE2 PHE A 85 6.500 -9.782 10.873 1.00 0.00 C ATOM 1307 CZ PHE A 85 7.672 -9.082 10.664 1.00 0.00 C ATOM 0 H PHE A 85 5.518 -10.784 6.803 1.00 0.00 H new ATOM 0 HA PHE A 85 3.355 -8.960 6.335 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.173 -7.272 8.010 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.360 -8.654 8.717 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.698 -7.172 8.066 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.487 -10.095 10.239 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.655 -7.592 9.489 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.443 -10.516 11.663 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.533 -9.269 11.289 1.00 0.00 H new ATOM 1317 N PHE A 86 5.130 -7.226 5.483 1.00 0.00 N ATOM 1318 CA PHE A 86 6.075 -6.517 4.628 1.00 0.00 C ATOM 1319 C PHE A 86 6.136 -5.037 4.995 1.00 0.00 C ATOM 1320 O PHE A 86 5.121 -4.339 4.980 1.00 0.00 O ATOM 1321 CB PHE A 86 5.682 -6.673 3.158 1.00 0.00 C ATOM 1322 CG PHE A 86 5.936 -8.050 2.613 1.00 0.00 C ATOM 1323 CD1 PHE A 86 7.175 -8.385 2.090 1.00 0.00 C ATOM 1324 CD2 PHE A 86 4.935 -9.008 2.622 1.00 0.00 C ATOM 1325 CE1 PHE A 86 7.412 -9.651 1.588 1.00 0.00 C ATOM 1326 CE2 PHE A 86 5.167 -10.276 2.122 1.00 0.00 C ATOM 1327 CZ PHE A 86 6.406 -10.597 1.603 1.00 0.00 C ATOM 0 H PHE A 86 4.270 -6.713 5.677 1.00 0.00 H new ATOM 0 HA PHE A 86 7.062 -6.953 4.781 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.624 -6.436 3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.236 -5.947 2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.965 -7.648 2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.963 -8.762 3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.382 -9.900 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.380 -11.015 2.137 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.588 -11.586 1.210 1.00 0.00 H new ATOM 1337 N LEU A 87 7.333 -4.564 5.324 1.00 0.00 N ATOM 1338 CA LEU A 87 7.528 -3.167 5.696 1.00 0.00 C ATOM 1339 C LEU A 87 8.163 -2.383 4.552 1.00 0.00 C ATOM 1340 O LEU A 87 9.387 -2.338 4.421 1.00 0.00 O ATOM 1341 CB LEU A 87 8.405 -3.069 6.946 1.00 0.00 C ATOM 1342 CG LEU A 87 7.669 -3.100 8.286 1.00 0.00 C ATOM 1343 CD1 LEU A 87 7.007 -1.760 8.562 1.00 0.00 C ATOM 1344 CD2 LEU A 87 6.639 -4.220 8.303 1.00 0.00 C ATOM 0 H LEU A 87 8.183 -5.127 5.341 1.00 0.00 H new ATOM 0 HA LEU A 87 6.551 -2.734 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.121 -3.891 6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.979 -2.144 6.891 1.00 0.00 H new ATOM 0 HG LEU A 87 8.397 -3.291 9.074 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.488 -1.801 9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.766 -0.979 8.594 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.291 -1.538 7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.125 -4.227 9.264 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.914 -4.060 7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.139 -5.177 8.152 1.00 0.00 H new ATOM 1356 N LEU A 88 7.324 -1.764 3.729 1.00 0.00 N ATOM 1357 CA LEU A 88 7.803 -0.979 2.596 1.00 0.00 C ATOM 1358 C LEU A 88 7.961 0.489 2.980 1.00 0.00 C ATOM 1359 O LEU A 88 7.660 0.884 4.107 1.00 0.00 O ATOM 1360 CB LEU A 88 6.839 -1.108 1.416 1.00 0.00 C ATOM 1361 CG LEU A 88 6.591 -2.528 0.905 1.00 0.00 C ATOM 1362 CD1 LEU A 88 5.657 -2.507 -0.296 1.00 0.00 C ATOM 1363 CD2 LEU A 88 7.906 -3.204 0.548 1.00 0.00 C ATOM 0 H LEU A 88 6.309 -1.790 3.825 1.00 0.00 H new ATOM 0 HA LEU A 88 8.779 -1.367 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.882 -0.675 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.224 -0.508 0.591 1.00 0.00 H new ATOM 0 HG LEU A 88 6.115 -3.102 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.492 -3.526 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.704 -2.063 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.105 -1.917 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.710 -4.213 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.410 -2.631 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.542 -3.253 1.432 1.00 0.00 H new ATOM 1375 N THR A 89 8.435 1.295 2.034 1.00 0.00 N ATOM 1376 CA THR A 89 8.632 2.719 2.272 1.00 0.00 C ATOM 1377 C THR A 89 8.309 3.535 1.026 1.00 0.00 C ATOM 1378 O THR A 89 8.852 3.284 -0.050 1.00 0.00 O ATOM 1379 CB THR A 89 10.078 3.021 2.709 1.00 0.00 C ATOM 1380 OG1 THR A 89 10.490 2.091 3.717 1.00 0.00 O ATOM 1381 CG2 THR A 89 10.197 4.440 3.243 1.00 0.00 C ATOM 0 H THR A 89 8.689 0.985 1.096 1.00 0.00 H new ATOM 0 HA THR A 89 7.951 3.002 3.075 1.00 0.00 H new ATOM 0 HB THR A 89 10.725 2.922 1.837 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.411 2.289 3.988 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.227 4.630 3.545 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.911 5.147 2.464 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.538 4.562 4.103 1.00 0.00 H new ATOM 1389 N GLY A 90 7.422 4.513 1.177 1.00 0.00 N ATOM 1390 CA GLY A 90 7.042 5.351 0.055 1.00 0.00 C ATOM 1391 C GLY A 90 7.887 6.606 -0.043 1.00 0.00 C ATOM 1392 O GLY A 90 8.100 7.298 0.953 1.00 0.00 O ATOM 0 H GLY A 90 6.959 4.740 2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.136 4.780 -0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.993 5.630 0.152 1.00 0.00 H new ATOM 1396 N TYR A 91 8.370 6.901 -1.244 1.00 0.00 N ATOM 1397 CA TYR A 91 9.199 8.079 -1.467 1.00 0.00 C ATOM 1398 C TYR A 91 8.564 9.005 -2.500 1.00 0.00 C ATOM 1399 O TYR A 91 8.280 8.596 -3.626 1.00 0.00 O ATOM 1400 CB TYR A 91 10.597 7.664 -1.929 1.00 0.00 C ATOM 1401 CG TYR A 91 11.403 6.958 -0.863 1.00 0.00 C ATOM 1402 CD1 TYR A 91 11.784 7.619 0.299 1.00 0.00 C ATOM 1403 CD2 TYR A 91 11.784 5.631 -1.016 1.00 0.00 C ATOM 1404 CE1 TYR A 91 12.521 6.978 1.276 1.00 0.00 C ATOM 1405 CE2 TYR A 91 12.519 4.982 -0.044 1.00 0.00 C ATOM 1406 CZ TYR A 91 12.885 5.659 1.100 1.00 0.00 C ATOM 1407 OH TYR A 91 13.619 5.017 2.071 1.00 0.00 O ATOM 0 H TYR A 91 8.202 6.340 -2.079 1.00 0.00 H new ATOM 0 HA TYR A 91 9.280 8.619 -0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.504 7.009 -2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.140 8.551 -2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.499 8.651 0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.500 5.097 -1.911 1.00 0.00 H new ATOM 0 HE1 TYR A 91 12.811 7.506 2.172 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.806 3.950 -0.179 1.00 0.00 H new ATOM 0 HH TYR A 91 13.791 4.093 1.793 1.00 0.00 H new ATOM 1417 N ALA A 92 8.344 10.255 -2.108 1.00 0.00 N ATOM 1418 CA ALA A 92 7.745 11.241 -2.999 1.00 0.00 C ATOM 1419 C ALA A 92 8.795 12.210 -3.532 1.00 0.00 C ATOM 1420 O ALA A 92 8.745 13.409 -3.256 1.00 0.00 O ATOM 1421 CB ALA A 92 6.640 12.001 -2.279 1.00 0.00 C ATOM 0 H ALA A 92 8.572 10.609 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 92 7.313 10.711 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.202 12.734 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.870 11.302 -1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.056 12.512 -1.411 1.00 0.00 H new ATOM 1427 N LEU A 93 9.746 11.683 -4.295 1.00 0.00 N ATOM 1428 CA LEU A 93 10.810 12.501 -4.866 1.00 0.00 C ATOM 1429 C LEU A 93 10.233 13.635 -5.708 1.00 0.00 C ATOM 1430 O LEU A 93 9.615 13.398 -6.746 1.00 0.00 O ATOM 1431 CB LEU A 93 11.741 11.639 -5.721 1.00 0.00 C ATOM 1432 CG LEU A 93 12.218 10.333 -5.084 1.00 0.00 C ATOM 1433 CD1 LEU A 93 13.085 9.550 -6.059 1.00 0.00 C ATOM 1434 CD2 LEU A 93 12.980 10.614 -3.797 1.00 0.00 C ATOM 0 H LEU A 93 9.802 10.693 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 93 11.380 12.936 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.228 11.400 -6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.616 12.234 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 93 11.344 9.729 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.416 8.624 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.507 9.317 -6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.954 10.148 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.312 9.673 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.847 11.238 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.328 11.133 -3.094 1.00 0.00 H new ATOM 1446 N ASP A 94 10.441 14.866 -5.255 1.00 0.00 N ATOM 1447 CA ASP A 94 9.945 16.037 -5.968 1.00 0.00 C ATOM 1448 C ASP A 94 10.533 16.108 -7.373 1.00 0.00 C ATOM 1449 O ASP A 94 11.321 15.250 -7.771 1.00 0.00 O ATOM 1450 CB ASP A 94 10.283 17.313 -5.195 1.00 0.00 C ATOM 1451 CG ASP A 94 9.397 18.479 -5.585 1.00 0.00 C ATOM 1452 OD1 ASP A 94 8.210 18.244 -5.898 1.00 0.00 O ATOM 1453 OD2 ASP A 94 9.889 19.626 -5.578 1.00 0.00 O ATOM 0 H ASP A 94 10.950 15.079 -4.397 1.00 0.00 H new ATOM 0 HA ASP A 94 8.862 15.948 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.181 17.125 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.325 17.577 -5.374 1.00 0.00 H new ATOM 1458 N ALA A 95 10.145 17.136 -8.121 1.00 0.00 N ATOM 1459 CA ALA A 95 10.635 17.319 -9.481 1.00 0.00 C ATOM 1460 C ALA A 95 12.157 17.241 -9.532 1.00 0.00 C ATOM 1461 O ALA A 95 12.741 16.999 -10.589 1.00 0.00 O ATOM 1462 CB ALA A 95 10.153 18.649 -10.041 1.00 0.00 C ATOM 0 H ALA A 95 9.493 17.855 -7.807 1.00 0.00 H new ATOM 0 HA ALA A 95 10.236 16.512 -10.096 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.526 18.773 -11.058 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.063 18.666 -10.050 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.524 19.462 -9.417 1.00 0.00 H new ATOM 1468 N ARG A 96 12.794 17.448 -8.384 1.00 0.00 N ATOM 1469 CA ARG A 96 14.248 17.403 -8.299 1.00 0.00 C ATOM 1470 C ARG A 96 14.748 15.961 -8.288 1.00 0.00 C ATOM 1471 O ARG A 96 15.725 15.627 -8.957 1.00 0.00 O ATOM 1472 CB ARG A 96 14.729 18.129 -7.041 1.00 0.00 C ATOM 1473 CG ARG A 96 14.896 19.628 -7.230 1.00 0.00 C ATOM 1474 CD ARG A 96 15.733 20.241 -6.118 1.00 0.00 C ATOM 1475 NE ARG A 96 15.686 21.700 -6.139 1.00 0.00 N ATOM 1476 CZ ARG A 96 16.090 22.462 -5.128 1.00 0.00 C ATOM 1477 NH1 ARG A 96 16.567 21.906 -4.023 1.00 0.00 N ATOM 1478 NH2 ARG A 96 16.016 23.784 -5.222 1.00 0.00 N ATOM 0 H ARG A 96 12.326 17.648 -7.500 1.00 0.00 H new ATOM 0 HA ARG A 96 14.654 17.904 -9.178 1.00 0.00 H new ATOM 0 HB2 ARG A 96 14.018 17.950 -6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 96 15.682 17.702 -6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.369 19.824 -8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.916 20.104 -7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 96 15.375 19.881 -5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 96 16.767 19.910 -6.218 1.00 0.00 H new ATOM 0 HE ARG A 96 15.324 22.159 -6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 96 16.625 20.890 -3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.876 22.494 -3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.649 24.215 -6.070 1.00 0.00 H new ATOM 0 HH22 ARG A 96 16.326 24.369 -4.446 1.00 0.00 H new ATOM 1492 N GLY A 97 14.071 15.110 -7.523 1.00 0.00 N ATOM 1493 CA GLY A 97 14.461 13.715 -7.439 1.00 0.00 C ATOM 1494 C GLY A 97 14.846 13.305 -6.032 1.00 0.00 C ATOM 1495 O GLY A 97 15.643 12.387 -5.842 1.00 0.00 O ATOM 0 H GLY A 97 13.259 15.362 -6.960 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.638 13.089 -7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.301 13.535 -8.110 1.00 0.00 H new ATOM 1499 N ASN A 98 14.281 13.988 -5.041 1.00 0.00 N ATOM 1500 CA ASN A 98 14.572 13.690 -3.644 1.00 0.00 C ATOM 1501 C ASN A 98 13.332 13.884 -2.777 1.00 0.00 C ATOM 1502 O ASN A 98 12.422 14.631 -3.135 1.00 0.00 O ATOM 1503 CB ASN A 98 15.707 14.582 -3.137 1.00 0.00 C ATOM 1504 CG ASN A 98 15.392 16.058 -3.284 1.00 0.00 C ATOM 1505 OD1 ASN A 98 14.693 16.641 -2.455 1.00 0.00 O ATOM 1506 ND2 ASN A 98 15.909 16.670 -4.344 1.00 0.00 N ATOM 0 H ASN A 98 13.619 14.751 -5.180 1.00 0.00 H new ATOM 0 HA ASN A 98 14.881 12.647 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.901 14.357 -2.088 1.00 0.00 H new ATOM 0 HB3 ASN A 98 16.620 14.352 -3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.732 17.663 -4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 98 16.483 16.147 -5.005 1.00 0.00 H new ATOM 1513 N ASN A 99 13.304 13.206 -1.634 1.00 0.00 N ATOM 1514 CA ASN A 99 12.175 13.303 -0.715 1.00 0.00 C ATOM 1515 C ASN A 99 11.577 14.707 -0.735 1.00 0.00 C ATOM 1516 O ASN A 99 12.250 15.685 -0.411 1.00 0.00 O ATOM 1517 CB ASN A 99 12.615 12.945 0.706 1.00 0.00 C ATOM 1518 CG ASN A 99 13.325 11.606 0.771 1.00 0.00 C ATOM 1519 OD1 ASN A 99 12.720 10.585 1.099 1.00 0.00 O ATOM 1520 ND2 ASN A 99 14.616 11.605 0.458 1.00 0.00 N ATOM 0 H ASN A 99 14.050 12.584 -1.322 1.00 0.00 H new ATOM 0 HA ASN A 99 11.411 12.597 -1.041 1.00 0.00 H new ATOM 0 HB2 ASN A 99 13.277 13.723 1.085 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.742 12.923 1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.146 10.734 0.484 1.00 0.00 H new ATOM 0 HD22 ASN A 99 15.077 12.475 0.192 1.00 0.00 H new ATOM 1527 N VAL A 100 10.307 14.797 -1.117 1.00 0.00 N ATOM 1528 CA VAL A 100 9.616 16.080 -1.178 1.00 0.00 C ATOM 1529 C VAL A 100 9.140 16.513 0.204 1.00 0.00 C ATOM 1530 O VAL A 100 9.378 17.644 0.626 1.00 0.00 O ATOM 1531 CB VAL A 100 8.408 16.022 -2.131 1.00 0.00 C ATOM 1532 CG1 VAL A 100 7.361 15.050 -1.608 1.00 0.00 C ATOM 1533 CG2 VAL A 100 7.812 17.409 -2.320 1.00 0.00 C ATOM 0 H VAL A 100 9.736 13.997 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 100 10.333 16.809 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 100 8.750 15.663 -3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.515 15.022 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.797 14.054 -1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.020 15.376 -0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.959 17.350 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.484 17.799 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.565 18.074 -2.743 1.00 0.00 H new ATOM 1543 N GLU A 101 8.466 15.606 0.903 1.00 0.00 N ATOM 1544 CA GLU A 101 7.956 15.895 2.238 1.00 0.00 C ATOM 1545 C GLU A 101 8.624 15.004 3.281 1.00 0.00 C ATOM 1546 O GLU A 101 9.509 15.444 4.015 1.00 0.00 O ATOM 1547 CB GLU A 101 6.439 15.701 2.282 1.00 0.00 C ATOM 1548 CG GLU A 101 5.666 16.771 1.528 1.00 0.00 C ATOM 1549 CD GLU A 101 4.239 16.916 2.020 1.00 0.00 C ATOM 1550 OE1 GLU A 101 4.052 17.204 3.220 1.00 0.00 O ATOM 1551 OE2 GLU A 101 3.310 16.740 1.205 1.00 0.00 O ATOM 0 H GLU A 101 8.260 14.665 0.567 1.00 0.00 H new ATOM 0 HA GLU A 101 8.189 16.934 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.194 14.725 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.112 15.693 3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.181 17.726 1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.657 16.527 0.466 1.00 0.00 H new ATOM 1558 N LYS A 102 8.192 13.749 3.342 1.00 0.00 N ATOM 1559 CA LYS A 102 8.747 12.794 4.294 1.00 0.00 C ATOM 1560 C LYS A 102 8.442 11.361 3.867 1.00 0.00 C ATOM 1561 O LYS A 102 7.315 11.022 3.508 1.00 0.00 O ATOM 1562 CB LYS A 102 8.184 13.051 5.693 1.00 0.00 C ATOM 1563 CG LYS A 102 8.469 11.932 6.679 1.00 0.00 C ATOM 1564 CD LYS A 102 7.960 12.271 8.070 1.00 0.00 C ATOM 1565 CE LYS A 102 8.465 11.277 9.106 1.00 0.00 C ATOM 1566 NZ LYS A 102 9.952 11.276 9.194 1.00 0.00 N ATOM 0 H LYS A 102 7.459 13.369 2.743 1.00 0.00 H new ATOM 0 HA LYS A 102 9.829 12.926 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.604 13.980 6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.106 13.194 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.998 11.012 6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.542 11.745 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.282 13.276 8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.870 12.275 8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.044 11.523 10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.115 10.277 8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.245 10.882 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.345 10.695 8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.306 12.250 9.107 1.00 0.00 H new ATOM 1580 N PRO A 103 9.469 10.500 3.908 1.00 0.00 N ATOM 1581 CA PRO A 103 9.335 9.089 3.531 1.00 0.00 C ATOM 1582 C PRO A 103 8.503 8.298 4.535 1.00 0.00 C ATOM 1583 O PRO A 103 8.982 7.946 5.614 1.00 0.00 O ATOM 1584 CB PRO A 103 10.780 8.586 3.520 1.00 0.00 C ATOM 1585 CG PRO A 103 11.504 9.492 4.455 1.00 0.00 C ATOM 1586 CD PRO A 103 10.840 10.835 4.327 1.00 0.00 C ATOM 0 HA PRO A 103 8.820 8.969 2.578 1.00 0.00 H new ATOM 0 HB2 PRO A 103 10.840 7.548 3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.206 8.629 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.445 9.124 5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 103 12.562 9.553 4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.850 11.380 5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.343 11.463 3.592 1.00 0.00 H new ATOM 1594 N LEU A 104 7.255 8.020 4.173 1.00 0.00 N ATOM 1595 CA LEU A 104 6.356 7.269 5.042 1.00 0.00 C ATOM 1596 C LEU A 104 6.587 5.768 4.898 1.00 0.00 C ATOM 1597 O LEU A 104 7.305 5.325 4.002 1.00 0.00 O ATOM 1598 CB LEU A 104 4.900 7.606 4.715 1.00 0.00 C ATOM 1599 CG LEU A 104 4.463 7.366 3.270 1.00 0.00 C ATOM 1600 CD1 LEU A 104 4.530 5.885 2.931 1.00 0.00 C ATOM 1601 CD2 LEU A 104 3.059 7.905 3.040 1.00 0.00 C ATOM 0 H LEU A 104 6.843 8.303 3.284 1.00 0.00 H new ATOM 0 HA LEU A 104 6.566 7.553 6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.256 7.019 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.728 8.655 4.956 1.00 0.00 H new ATOM 0 HG LEU A 104 5.147 7.900 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.215 5.733 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.553 5.529 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.870 5.329 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.765 7.725 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.361 7.400 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.043 8.976 3.241 1.00 0.00 H new ATOM 1613 N GLU A 105 5.972 4.992 5.785 1.00 0.00 N ATOM 1614 CA GLU A 105 6.111 3.541 5.755 1.00 0.00 C ATOM 1615 C GLU A 105 4.779 2.874 5.423 1.00 0.00 C ATOM 1616 O GLU A 105 3.711 3.420 5.703 1.00 0.00 O ATOM 1617 CB GLU A 105 6.630 3.028 7.100 1.00 0.00 C ATOM 1618 CG GLU A 105 8.136 3.147 7.257 1.00 0.00 C ATOM 1619 CD GLU A 105 8.562 4.505 7.780 1.00 0.00 C ATOM 1620 OE1 GLU A 105 7.956 4.980 8.762 1.00 0.00 O ATOM 1621 OE2 GLU A 105 9.503 5.093 7.206 1.00 0.00 O ATOM 0 H GLU A 105 5.373 5.344 6.532 1.00 0.00 H new ATOM 0 HA GLU A 105 6.829 3.286 4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.145 3.583 7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.343 1.983 7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.489 2.372 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.613 2.967 6.294 1.00 0.00 H new ATOM 1628 N LEU A 106 4.850 1.690 4.825 1.00 0.00 N ATOM 1629 CA LEU A 106 3.651 0.947 4.453 1.00 0.00 C ATOM 1630 C LEU A 106 3.751 -0.508 4.901 1.00 0.00 C ATOM 1631 O LEU A 106 4.593 -1.261 4.413 1.00 0.00 O ATOM 1632 CB LEU A 106 3.434 1.013 2.941 1.00 0.00 C ATOM 1633 CG LEU A 106 2.515 -0.055 2.347 1.00 0.00 C ATOM 1634 CD1 LEU A 106 1.056 0.343 2.514 1.00 0.00 C ATOM 1635 CD2 LEU A 106 2.842 -0.284 0.879 1.00 0.00 C ATOM 0 H LEU A 106 5.725 1.224 4.587 1.00 0.00 H new ATOM 0 HA LEU A 106 2.799 1.405 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.025 1.993 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.405 0.941 2.451 1.00 0.00 H new ATOM 0 HG LEU A 106 2.680 -0.988 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.417 -0.429 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.828 0.455 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.876 1.288 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.178 -1.047 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.706 0.646 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.876 -0.615 0.784 1.00 0.00 H new ATOM 1647 N ARG A 107 2.885 -0.896 5.832 1.00 0.00 N ATOM 1648 CA ARG A 107 2.875 -2.261 6.344 1.00 0.00 C ATOM 1649 C ARG A 107 1.786 -3.088 5.667 1.00 0.00 C ATOM 1650 O ARG A 107 0.688 -2.595 5.410 1.00 0.00 O ATOM 1651 CB ARG A 107 2.660 -2.258 7.859 1.00 0.00 C ATOM 1652 CG ARG A 107 2.507 -3.647 8.455 1.00 0.00 C ATOM 1653 CD ARG A 107 1.909 -3.591 9.852 1.00 0.00 C ATOM 1654 NE ARG A 107 0.469 -3.354 9.823 1.00 0.00 N ATOM 1655 CZ ARG A 107 -0.269 -3.173 10.912 1.00 0.00 C ATOM 1656 NH1 ARG A 107 0.296 -3.202 12.112 1.00 0.00 N ATOM 1657 NH2 ARG A 107 -1.575 -2.962 10.804 1.00 0.00 N ATOM 0 H ARG A 107 2.182 -0.285 6.247 1.00 0.00 H new ATOM 0 HA ARG A 107 3.842 -2.713 6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.503 -1.758 8.336 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.770 -1.673 8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.871 -4.253 7.810 1.00 0.00 H new ATOM 0 HG3 ARG A 107 3.480 -4.137 8.494 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.111 -4.528 10.371 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.395 -2.800 10.423 1.00 0.00 H new ATOM 0 HE ARG A 107 0.004 -3.326 8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 107 1.299 -3.364 12.200 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -0.273 -3.063 12.947 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.013 -2.939 9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.140 -2.823 11.642 1.00 0.00 H new ATOM 1671 N ILE A 108 2.100 -4.347 5.381 1.00 0.00 N ATOM 1672 CA ILE A 108 1.148 -5.243 4.734 1.00 0.00 C ATOM 1673 C ILE A 108 0.926 -6.502 5.565 1.00 0.00 C ATOM 1674 O ILE A 108 1.703 -7.454 5.491 1.00 0.00 O ATOM 1675 CB ILE A 108 1.624 -5.648 3.326 1.00 0.00 C ATOM 1676 CG1 ILE A 108 1.762 -4.411 2.436 1.00 0.00 C ATOM 1677 CG2 ILE A 108 0.657 -6.647 2.708 1.00 0.00 C ATOM 1678 CD1 ILE A 108 2.137 -4.735 1.007 1.00 0.00 C ATOM 0 H ILE A 108 3.005 -4.770 5.587 1.00 0.00 H new ATOM 0 HA ILE A 108 0.209 -4.697 4.648 1.00 0.00 H new ATOM 0 HB ILE A 108 2.602 -6.123 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.820 -3.863 2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.518 -3.750 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.006 -6.924 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.604 -7.537 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.333 -6.197 2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.217 -3.811 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.094 -5.256 0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.370 -5.371 0.565 1.00 0.00 H new ATOM 1690 N LYS A 109 -0.142 -6.501 6.356 1.00 0.00 N ATOM 1691 CA LYS A 109 -0.470 -7.644 7.200 1.00 0.00 C ATOM 1692 C LYS A 109 -0.926 -8.830 6.356 1.00 0.00 C ATOM 1693 O LYS A 109 -1.707 -8.673 5.417 1.00 0.00 O ATOM 1694 CB LYS A 109 -1.564 -7.266 8.202 1.00 0.00 C ATOM 1695 CG LYS A 109 -1.908 -8.381 9.175 1.00 0.00 C ATOM 1696 CD LYS A 109 -3.220 -8.109 9.892 1.00 0.00 C ATOM 1697 CE LYS A 109 -3.038 -7.114 11.028 1.00 0.00 C ATOM 1698 NZ LYS A 109 -2.082 -7.613 12.055 1.00 0.00 N ATOM 0 H LYS A 109 -0.795 -5.721 6.430 1.00 0.00 H new ATOM 0 HA LYS A 109 0.429 -7.933 7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.243 -6.390 8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.463 -6.981 7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.975 -9.327 8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.107 -8.487 9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.951 -7.722 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.621 -9.043 10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.678 -6.167 10.627 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.003 -6.916 11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.287 -7.161 12.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.181 -8.644 12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.110 -7.383 11.765 1.00 0.00 H new ATOM 1712 N VAL A 110 -0.435 -10.017 6.698 1.00 0.00 N ATOM 1713 CA VAL A 110 -0.794 -11.230 5.973 1.00 0.00 C ATOM 1714 C VAL A 110 -1.656 -12.148 6.832 1.00 0.00 C ATOM 1715 O VAL A 110 -1.143 -12.920 7.644 1.00 0.00 O ATOM 1716 CB VAL A 110 0.458 -12.001 5.514 1.00 0.00 C ATOM 1717 CG1 VAL A 110 0.068 -13.174 4.628 1.00 0.00 C ATOM 1718 CG2 VAL A 110 1.420 -11.071 4.789 1.00 0.00 C ATOM 0 H VAL A 110 0.212 -10.164 7.472 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.361 -10.919 5.096 1.00 0.00 H new ATOM 0 HB VAL A 110 0.964 -12.395 6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.966 -13.707 4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.579 -13.851 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.462 -12.806 3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.299 -11.632 4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.926 -10.646 3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.725 -10.268 5.460 1.00 0.00 H new ATOM 1728 N LEU A 111 -2.968 -12.061 6.648 1.00 0.00 N ATOM 1729 CA LEU A 111 -3.904 -12.885 7.406 1.00 0.00 C ATOM 1730 C LEU A 111 -3.723 -14.362 7.072 1.00 0.00 C ATOM 1731 O LEU A 111 -2.919 -14.720 6.210 1.00 0.00 O ATOM 1732 CB LEU A 111 -5.343 -12.457 7.115 1.00 0.00 C ATOM 1733 CG LEU A 111 -5.639 -10.963 7.248 1.00 0.00 C ATOM 1734 CD1 LEU A 111 -6.846 -10.581 6.406 1.00 0.00 C ATOM 1735 CD2 LEU A 111 -5.865 -10.592 8.707 1.00 0.00 C ATOM 0 H LEU A 111 -3.409 -11.428 5.980 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.697 -12.743 8.467 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.595 -12.768 6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.006 -13.000 7.789 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.776 -10.407 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.042 -9.514 6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.646 -10.810 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.717 -11.145 6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.074 -9.525 8.783 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.711 -11.157 9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.972 -10.828 9.285 1.00 0.00 H new ATOM 1747 N ASP A 112 -4.476 -15.215 7.757 1.00 0.00 N ATOM 1748 CA ASP A 112 -4.402 -16.654 7.530 1.00 0.00 C ATOM 1749 C ASP A 112 -5.274 -17.064 6.348 1.00 0.00 C ATOM 1750 O ASP A 112 -6.343 -16.494 6.126 1.00 0.00 O ATOM 1751 CB ASP A 112 -4.833 -17.413 8.786 1.00 0.00 C ATOM 1752 CG ASP A 112 -4.611 -18.907 8.665 1.00 0.00 C ATOM 1753 OD1 ASP A 112 -3.438 -19.328 8.575 1.00 0.00 O ATOM 1754 OD2 ASP A 112 -5.609 -19.657 8.661 1.00 0.00 O ATOM 0 H ASP A 112 -5.145 -14.935 8.474 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.367 -16.907 7.299 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.277 -17.035 9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.888 -17.220 8.979 1.00 0.00 H new ATOM 1759 N ILE A 113 -4.811 -18.054 5.593 1.00 0.00 N ATOM 1760 CA ILE A 113 -5.550 -18.540 4.434 1.00 0.00 C ATOM 1761 C ILE A 113 -6.912 -19.090 4.841 1.00 0.00 C ATOM 1762 O ILE A 113 -7.894 -18.943 4.115 1.00 0.00 O ATOM 1763 CB ILE A 113 -4.768 -19.637 3.687 1.00 0.00 C ATOM 1764 CG1 ILE A 113 -5.554 -20.110 2.463 1.00 0.00 C ATOM 1765 CG2 ILE A 113 -4.473 -20.804 4.618 1.00 0.00 C ATOM 1766 CD1 ILE A 113 -6.464 -21.284 2.746 1.00 0.00 C ATOM 0 H ILE A 113 -3.928 -18.535 5.763 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.689 -17.688 3.769 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.820 -19.220 3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -6.151 -19.281 2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.853 -20.386 1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -3.920 -21.571 4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.877 -20.455 5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.410 -21.223 4.984 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.989 -21.565 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -5.871 -22.128 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.189 -21.006 3.511 1.00 0.00 H new ATOM 1778 N ASN A 114 -6.963 -19.723 6.009 1.00 0.00 N ATOM 1779 CA ASN A 114 -8.206 -20.295 6.514 1.00 0.00 C ATOM 1780 C ASN A 114 -8.823 -19.397 7.583 1.00 0.00 C ATOM 1781 O ASN A 114 -9.412 -19.881 8.549 1.00 0.00 O ATOM 1782 CB ASN A 114 -7.954 -21.691 7.088 1.00 0.00 C ATOM 1783 CG ASN A 114 -7.415 -22.654 6.048 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -6.335 -23.221 6.211 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -8.169 -22.844 4.971 1.00 0.00 N ATOM 0 H ASN A 114 -6.159 -19.853 6.623 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.905 -20.373 5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.247 -21.619 7.914 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -8.884 -22.086 7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -7.859 -23.481 4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.058 -22.353 4.878 1.00 0.00 H new ATOM 1792 N ASP A 115 -8.682 -18.089 7.401 1.00 0.00 N ATOM 1793 CA ASP A 115 -9.227 -17.123 8.349 1.00 0.00 C ATOM 1794 C ASP A 115 -10.715 -16.899 8.102 1.00 0.00 C ATOM 1795 O ASP A 115 -11.397 -16.256 8.899 1.00 0.00 O ATOM 1796 CB ASP A 115 -8.475 -15.795 8.245 1.00 0.00 C ATOM 1797 CG ASP A 115 -8.875 -14.998 7.019 1.00 0.00 C ATOM 1798 OD1 ASP A 115 -9.349 -15.612 6.040 1.00 0.00 O ATOM 1799 OD2 ASP A 115 -8.714 -13.760 7.039 1.00 0.00 O ATOM 0 H ASP A 115 -8.196 -17.673 6.607 1.00 0.00 H new ATOM 0 HA ASP A 115 -9.101 -17.526 9.354 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -8.666 -15.201 9.139 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -7.403 -15.989 8.215 1.00 0.00 H new