USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=16 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 36 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0.0838 USER MOD Single : A 14 THR OG1 : rot -27:sc= 0.222 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0024 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= -1.38 K(o=-1.4,f=-5.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.722 K(o=-0.72,f=-0.12) 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 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.371 USER MOD Single : A 51 THR OG1 : rot 27:sc= 0.308 USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= -0.15 (180deg=-1.25) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0718 USER MOD Single : A 66 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.1) USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= -0.047 (180deg=-0.314) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 73 ASN : amide:sc= -1.35! C(o=-1.3!,f=-3.7!) USER MOD Single : A 75 THR OG1 : rot -46:sc= 0.0715 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 158:sc= 1.25 USER MOD Single : A 89 THR OG1 : rot -41:sc= 0.0605 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.053) USER MOD Single : A 99 ASN : amide:sc= -0.897 K(o=-0.9,f=-1.6!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -0.979 K(o=-0.98,f=0.02) USER MOD ----------------------------------------------------------------- ATOM 182 N THR A 14 -1.403 7.204 4.441 1.00 0.00 N ATOM 183 CA THR A 14 -2.242 6.145 3.896 1.00 0.00 C ATOM 184 C THR A 14 -2.617 5.131 4.971 1.00 0.00 C ATOM 185 O THR A 14 -1.908 4.976 5.965 1.00 0.00 O ATOM 186 CB THR A 14 -1.539 5.411 2.738 1.00 0.00 C ATOM 187 OG1 THR A 14 -0.203 5.064 3.118 1.00 0.00 O ATOM 188 CG2 THR A 14 -1.507 6.278 1.488 1.00 0.00 C ATOM 0 HA THR A 14 -3.147 6.622 3.519 1.00 0.00 H new ATOM 0 HB THR A 14 -2.101 4.504 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.121 5.698 3.792 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.006 5.739 0.684 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.526 6.517 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.966 7.200 1.699 1.00 0.00 H new ATOM 196 N ALA A 15 -3.735 4.443 4.765 1.00 0.00 N ATOM 197 CA ALA A 15 -4.202 3.442 5.716 1.00 0.00 C ATOM 198 C ALA A 15 -3.426 2.138 5.566 1.00 0.00 C ATOM 199 O ALA A 15 -2.734 1.909 4.573 1.00 0.00 O ATOM 200 CB ALA A 15 -5.692 3.195 5.533 1.00 0.00 C ATOM 0 H ALA A 15 -4.334 4.561 3.948 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.029 3.824 6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.027 2.445 6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.238 4.124 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.880 2.838 4.520 1.00 0.00 H new ATOM 206 N PRO A 16 -3.540 1.261 6.575 1.00 0.00 N ATOM 207 CA PRO A 16 -2.856 -0.035 6.578 1.00 0.00 C ATOM 208 C PRO A 16 -3.432 -0.998 5.546 1.00 0.00 C ATOM 209 O PRO A 16 -4.580 -0.857 5.123 1.00 0.00 O ATOM 210 CB PRO A 16 -3.099 -0.561 7.995 1.00 0.00 C ATOM 211 CG PRO A 16 -4.353 0.111 8.438 1.00 0.00 C ATOM 212 CD PRO A 16 -4.347 1.467 7.789 1.00 0.00 C ATOM 0 HA PRO A 16 -1.802 0.061 6.319 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.207 -1.646 8.002 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.266 -0.320 8.655 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.230 -0.462 8.137 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.386 0.198 9.524 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.356 1.802 7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.907 2.222 8.440 1.00 0.00 H new ATOM 220 N VAL A 17 -2.629 -1.978 5.143 1.00 0.00 N ATOM 221 CA VAL A 17 -3.060 -2.966 4.161 1.00 0.00 C ATOM 222 C VAL A 17 -3.088 -4.365 4.765 1.00 0.00 C ATOM 223 O VAL A 17 -2.076 -4.856 5.266 1.00 0.00 O ATOM 224 CB VAL A 17 -2.139 -2.969 2.927 1.00 0.00 C ATOM 225 CG1 VAL A 17 -2.604 -4.006 1.916 1.00 0.00 C ATOM 226 CG2 VAL A 17 -2.088 -1.585 2.297 1.00 0.00 C ATOM 0 H VAL A 17 -1.676 -2.109 5.482 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.067 -2.687 3.852 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.132 -3.235 3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.941 -3.993 1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.584 -4.995 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.620 -3.774 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.433 -1.605 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.091 -1.288 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.704 -0.869 3.023 1.00 0.00 H new ATOM 236 N ALA A 18 -4.252 -5.003 4.713 1.00 0.00 N ATOM 237 CA ALA A 18 -4.411 -6.348 5.253 1.00 0.00 C ATOM 238 C ALA A 18 -4.845 -7.327 4.167 1.00 0.00 C ATOM 239 O ALA A 18 -6.010 -7.350 3.767 1.00 0.00 O ATOM 240 CB ALA A 18 -5.417 -6.343 6.395 1.00 0.00 C ATOM 0 H ALA A 18 -5.099 -4.610 4.302 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.445 -6.676 5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.526 -7.354 6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.066 -5.681 7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.381 -5.991 6.029 1.00 0.00 H new ATOM 246 N LEU A 19 -3.902 -8.134 3.694 1.00 0.00 N ATOM 247 CA LEU A 19 -4.188 -9.116 2.653 1.00 0.00 C ATOM 248 C LEU A 19 -4.199 -10.530 3.226 1.00 0.00 C ATOM 249 O LEU A 19 -3.665 -10.776 4.308 1.00 0.00 O ATOM 250 CB LEU A 19 -3.151 -9.017 1.533 1.00 0.00 C ATOM 251 CG LEU A 19 -3.187 -7.737 0.697 1.00 0.00 C ATOM 252 CD1 LEU A 19 -1.816 -7.448 0.104 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.233 -7.848 -0.403 1.00 0.00 C ATOM 0 H LEU A 19 -2.934 -8.128 4.014 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.176 -8.900 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.159 -9.111 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.285 -9.868 0.865 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.461 -6.907 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.861 -6.534 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.090 -7.325 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.513 -8.278 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.245 -6.928 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.990 -8.688 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.215 -8.007 0.043 1.00 0.00 H new ATOM 265 N ARG A 20 -4.810 -11.455 2.493 1.00 0.00 N ATOM 266 CA ARG A 20 -4.890 -12.844 2.929 1.00 0.00 C ATOM 267 C ARG A 20 -3.713 -13.651 2.390 1.00 0.00 C ATOM 268 O ARG A 20 -3.014 -13.213 1.477 1.00 0.00 O ATOM 269 CB ARG A 20 -6.207 -13.471 2.465 1.00 0.00 C ATOM 270 CG ARG A 20 -7.364 -13.235 3.423 1.00 0.00 C ATOM 271 CD ARG A 20 -8.660 -13.820 2.885 1.00 0.00 C ATOM 272 NE ARG A 20 -9.137 -13.102 1.706 1.00 0.00 N ATOM 273 CZ ARG A 20 -9.757 -11.929 1.761 1.00 0.00 C ATOM 274 NH1 ARG A 20 -9.973 -11.344 2.932 1.00 0.00 N ATOM 275 NH2 ARG A 20 -10.162 -11.338 0.645 1.00 0.00 N ATOM 0 H ARG A 20 -5.257 -11.268 1.595 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.851 -12.860 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.468 -13.066 1.487 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.064 -14.544 2.338 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.135 -13.683 4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.488 -12.165 3.589 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.507 -14.869 2.633 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.423 -13.787 3.663 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.986 -13.525 0.790 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.663 -11.795 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.449 -10.443 2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.997 -11.784 -0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.638 -10.437 0.689 1.00 0.00 H new ATOM 289 N GLU A 21 -3.500 -14.832 2.962 1.00 0.00 N ATOM 290 CA GLU A 21 -2.407 -15.699 2.540 1.00 0.00 C ATOM 291 C GLU A 21 -2.941 -17.004 1.957 1.00 0.00 C ATOM 292 O GLU A 21 -3.660 -17.747 2.625 1.00 0.00 O ATOM 293 CB GLU A 21 -1.478 -15.997 3.719 1.00 0.00 C ATOM 294 CG GLU A 21 -2.127 -16.832 4.809 1.00 0.00 C ATOM 295 CD GLU A 21 -2.022 -18.322 4.544 1.00 0.00 C ATOM 296 OE1 GLU A 21 -0.963 -18.763 4.051 1.00 0.00 O ATOM 297 OE2 GLU A 21 -2.999 -19.045 4.831 1.00 0.00 O ATOM 0 H GLU A 21 -4.070 -15.210 3.719 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.844 -15.179 1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.594 -16.518 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.137 -15.055 4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.657 -16.603 5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.178 -16.556 4.896 1.00 0.00 H new ATOM 304 N GLY A 22 -2.585 -17.277 0.705 1.00 0.00 N ATOM 305 CA GLY A 22 -3.038 -18.491 0.053 1.00 0.00 C ATOM 306 C GLY A 22 -3.972 -18.212 -1.107 1.00 0.00 C ATOM 307 O GLY A 22 -3.856 -18.826 -2.167 1.00 0.00 O ATOM 0 H GLY A 22 -1.991 -16.679 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.174 -19.051 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.547 -19.123 0.781 1.00 0.00 H new ATOM 311 N GLU A 23 -4.903 -17.284 -0.906 1.00 0.00 N ATOM 312 CA GLU A 23 -5.863 -16.928 -1.944 1.00 0.00 C ATOM 313 C GLU A 23 -5.199 -16.093 -3.035 1.00 0.00 C ATOM 314 O GLU A 23 -4.258 -15.344 -2.773 1.00 0.00 O ATOM 315 CB GLU A 23 -7.038 -16.156 -1.340 1.00 0.00 C ATOM 316 CG GLU A 23 -8.259 -16.102 -2.243 1.00 0.00 C ATOM 317 CD GLU A 23 -9.546 -15.888 -1.471 1.00 0.00 C ATOM 318 OE1 GLU A 23 -9.651 -16.405 -0.338 1.00 0.00 O ATOM 319 OE2 GLU A 23 -10.448 -15.204 -1.998 1.00 0.00 O ATOM 0 H GLU A 23 -5.012 -16.766 -0.034 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.235 -17.850 -2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.317 -16.618 -0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.717 -15.139 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.136 -15.296 -2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.329 -17.031 -2.809 1.00 0.00 H new ATOM 326 N ASP A 24 -5.696 -16.229 -4.260 1.00 0.00 N ATOM 327 CA ASP A 24 -5.152 -15.487 -5.392 1.00 0.00 C ATOM 328 C ASP A 24 -5.643 -14.043 -5.382 1.00 0.00 C ATOM 329 O ASP A 24 -6.635 -13.708 -6.031 1.00 0.00 O ATOM 330 CB ASP A 24 -5.545 -16.163 -6.707 1.00 0.00 C ATOM 331 CG ASP A 24 -4.595 -17.282 -7.089 1.00 0.00 C ATOM 332 OD1 ASP A 24 -4.699 -18.376 -6.497 1.00 0.00 O ATOM 333 OD2 ASP A 24 -3.749 -17.062 -7.980 1.00 0.00 O ATOM 0 H ASP A 24 -6.474 -16.846 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.066 -15.483 -5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.555 -16.562 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.564 -15.419 -7.503 1.00 0.00 H new ATOM 338 N LEU A 25 -4.944 -13.191 -4.640 1.00 0.00 N ATOM 339 CA LEU A 25 -5.308 -11.782 -4.544 1.00 0.00 C ATOM 340 C LEU A 25 -4.774 -10.999 -5.739 1.00 0.00 C ATOM 341 O LEU A 25 -4.215 -9.913 -5.583 1.00 0.00 O ATOM 342 CB LEU A 25 -4.768 -11.183 -3.244 1.00 0.00 C ATOM 343 CG LEU A 25 -5.231 -11.856 -1.952 1.00 0.00 C ATOM 344 CD1 LEU A 25 -4.372 -11.408 -0.780 1.00 0.00 C ATOM 345 CD2 LEU A 25 -6.698 -11.551 -1.687 1.00 0.00 C ATOM 0 H LEU A 25 -4.122 -13.452 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.396 -11.712 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.679 -11.216 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.054 -10.132 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.120 -12.934 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.716 -11.897 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.333 -11.678 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.451 -10.327 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.010 -12.038 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.834 -10.474 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.302 -11.922 -2.515 1.00 0.00 H new ATOM 357 N SER A 26 -4.953 -11.555 -6.933 1.00 0.00 N ATOM 358 CA SER A 26 -4.488 -10.910 -8.155 1.00 0.00 C ATOM 359 C SER A 26 -5.525 -9.919 -8.674 1.00 0.00 C ATOM 360 O SER A 26 -5.193 -8.796 -9.055 1.00 0.00 O ATOM 361 CB SER A 26 -4.185 -11.958 -9.227 1.00 0.00 C ATOM 362 OG SER A 26 -5.291 -12.822 -9.423 1.00 0.00 O ATOM 0 H SER A 26 -5.417 -12.451 -7.080 1.00 0.00 H new ATOM 0 HA SER A 26 -3.573 -10.364 -7.923 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.937 -11.462 -10.165 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.312 -12.541 -8.934 1.00 0.00 H new ATOM 0 HG SER A 26 -5.072 -13.481 -10.114 1.00 0.00 H new ATOM 368 N LYS A 27 -6.784 -10.343 -8.687 1.00 0.00 N ATOM 369 CA LYS A 27 -7.873 -9.495 -9.158 1.00 0.00 C ATOM 370 C LYS A 27 -8.098 -8.321 -8.210 1.00 0.00 C ATOM 371 O LYS A 27 -8.239 -7.178 -8.644 1.00 0.00 O ATOM 372 CB LYS A 27 -9.161 -10.310 -9.292 1.00 0.00 C ATOM 373 CG LYS A 27 -9.305 -11.004 -10.636 1.00 0.00 C ATOM 374 CD LYS A 27 -10.622 -11.754 -10.738 1.00 0.00 C ATOM 375 CE LYS A 27 -10.703 -12.566 -12.021 1.00 0.00 C ATOM 376 NZ LYS A 27 -11.935 -13.401 -12.073 1.00 0.00 N ATOM 0 H LYS A 27 -7.076 -11.270 -8.376 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.596 -9.102 -10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.191 -11.059 -8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.016 -9.651 -9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.243 -10.266 -11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.477 -11.699 -10.778 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.732 -12.416 -9.879 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.449 -11.045 -10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.684 -11.893 -12.878 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.826 -13.208 -12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.952 -13.939 -12.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.941 -14.061 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.773 -12.787 -12.023 1.00 0.00 H new ATOM 390 N LYS A 28 -8.129 -8.612 -6.914 1.00 0.00 N ATOM 391 CA LYS A 28 -8.334 -7.581 -5.903 1.00 0.00 C ATOM 392 C LYS A 28 -7.547 -6.320 -6.245 1.00 0.00 C ATOM 393 O LYS A 28 -8.066 -5.208 -6.148 1.00 0.00 O ATOM 394 CB LYS A 28 -7.915 -8.098 -4.525 1.00 0.00 C ATOM 395 CG LYS A 28 -8.998 -8.897 -3.820 1.00 0.00 C ATOM 396 CD LYS A 28 -8.986 -8.649 -2.321 1.00 0.00 C ATOM 397 CE LYS A 28 -9.931 -7.522 -1.935 1.00 0.00 C ATOM 398 NZ LYS A 28 -11.322 -8.011 -1.723 1.00 0.00 N ATOM 0 H LYS A 28 -8.015 -9.554 -6.539 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.395 -7.332 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.028 -8.722 -4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.634 -7.251 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.973 -8.628 -4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.853 -9.960 -4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.273 -9.561 -1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.974 -8.403 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.572 -7.043 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.928 -6.762 -2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.935 -7.212 -1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.675 -8.445 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.329 -8.717 -0.960 1.00 0.00 H new ATOM 412 N ASN A 29 -6.294 -6.500 -6.648 1.00 0.00 N ATOM 413 CA ASN A 29 -5.436 -5.376 -7.005 1.00 0.00 C ATOM 414 C ASN A 29 -6.223 -4.311 -7.762 1.00 0.00 C ATOM 415 O ASN A 29 -7.206 -4.598 -8.446 1.00 0.00 O ATOM 416 CB ASN A 29 -4.258 -5.857 -7.855 1.00 0.00 C ATOM 417 CG ASN A 29 -3.175 -6.516 -7.023 1.00 0.00 C ATOM 418 OD1 ASN A 29 -2.541 -5.873 -6.187 1.00 0.00 O ATOM 419 ND2 ASN A 29 -2.959 -7.807 -7.249 1.00 0.00 N ATOM 0 H ASN A 29 -5.850 -7.414 -6.736 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.054 -4.935 -6.084 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.618 -6.563 -8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.833 -5.010 -8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.243 -8.305 -6.719 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.509 -8.301 -7.952 1.00 0.00 H new ATOM 426 N PRO A 30 -5.782 -3.050 -7.639 1.00 0.00 N ATOM 427 CA PRO A 30 -4.613 -2.696 -6.828 1.00 0.00 C ATOM 428 C PRO A 30 -4.875 -2.854 -5.334 1.00 0.00 C ATOM 429 O PRO A 30 -6.002 -2.676 -4.870 1.00 0.00 O ATOM 430 CB PRO A 30 -4.372 -1.225 -7.176 1.00 0.00 C ATOM 431 CG PRO A 30 -5.703 -0.716 -7.612 1.00 0.00 C ATOM 432 CD PRO A 30 -6.389 -1.873 -8.283 1.00 0.00 C ATOM 0 HA PRO A 30 -3.761 -3.343 -7.037 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.999 -0.670 -6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.630 -1.122 -7.968 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.282 -0.359 -6.760 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.594 0.124 -8.298 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.468 -1.844 -8.131 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.219 -1.872 -9.360 1.00 0.00 H new ATOM 440 N ILE A 31 -3.829 -3.188 -4.586 1.00 0.00 N ATOM 441 CA ILE A 31 -3.947 -3.367 -3.145 1.00 0.00 C ATOM 442 C ILE A 31 -3.554 -2.097 -2.398 1.00 0.00 C ATOM 443 O ILE A 31 -3.830 -1.954 -1.208 1.00 0.00 O ATOM 444 CB ILE A 31 -3.071 -4.533 -2.649 1.00 0.00 C ATOM 445 CG1 ILE A 31 -1.617 -4.326 -3.080 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.602 -5.857 -3.177 1.00 0.00 C ATOM 447 CD1 ILE A 31 -0.616 -5.009 -2.176 1.00 0.00 C ATOM 0 H ILE A 31 -2.890 -3.340 -4.955 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.993 -3.596 -2.941 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.108 -4.558 -1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.491 -4.700 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.402 -3.258 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.972 -6.671 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.623 -6.006 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.592 -5.844 -4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.393 -4.820 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.714 -4.618 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.804 -6.083 -2.170 1.00 0.00 H new ATOM 459 N ALA A 32 -2.909 -1.176 -3.107 1.00 0.00 N ATOM 460 CA ALA A 32 -2.481 0.084 -2.513 1.00 0.00 C ATOM 461 C ALA A 32 -2.119 1.103 -3.589 1.00 0.00 C ATOM 462 O ALA A 32 -1.521 0.759 -4.608 1.00 0.00 O ATOM 463 CB ALA A 32 -1.300 -0.145 -1.582 1.00 0.00 C ATOM 0 H ALA A 32 -2.672 -1.279 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.313 0.485 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.991 0.805 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.591 -0.832 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.470 -0.572 -2.145 1.00 0.00 H new ATOM 469 N LYS A 33 -2.487 2.358 -3.355 1.00 0.00 N ATOM 470 CA LYS A 33 -2.201 3.429 -4.303 1.00 0.00 C ATOM 471 C LYS A 33 -1.674 4.666 -3.584 1.00 0.00 C ATOM 472 O LYS A 33 -2.199 5.061 -2.542 1.00 0.00 O ATOM 473 CB LYS A 33 -3.460 3.784 -5.097 1.00 0.00 C ATOM 474 CG LYS A 33 -3.942 2.666 -6.005 1.00 0.00 C ATOM 475 CD LYS A 33 -4.813 3.199 -7.130 1.00 0.00 C ATOM 476 CE LYS A 33 -3.980 3.875 -8.208 1.00 0.00 C ATOM 477 NZ LYS A 33 -4.770 4.884 -8.967 1.00 0.00 N ATOM 0 H LYS A 33 -2.984 2.659 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.433 3.076 -4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.257 4.044 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.261 4.670 -5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.084 2.142 -6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.505 1.939 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.383 2.380 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.535 3.910 -6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.117 4.359 -7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.596 3.122 -8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.167 5.323 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.580 4.418 -9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.115 5.617 -8.315 1.00 0.00 H new ATOM 491 N ILE A 34 -0.635 5.275 -4.147 1.00 0.00 N ATOM 492 CA ILE A 34 -0.041 6.469 -3.559 1.00 0.00 C ATOM 493 C ILE A 34 0.269 7.512 -4.629 1.00 0.00 C ATOM 494 O ILE A 34 0.786 7.186 -5.698 1.00 0.00 O ATOM 495 CB ILE A 34 1.254 6.135 -2.794 1.00 0.00 C ATOM 496 CG1 ILE A 34 2.163 5.249 -3.648 1.00 0.00 C ATOM 497 CG2 ILE A 34 0.927 5.453 -1.474 1.00 0.00 C ATOM 498 CD1 ILE A 34 3.634 5.418 -3.339 1.00 0.00 C ATOM 0 H ILE A 34 -0.188 4.961 -5.009 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.772 6.874 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 34 1.783 7.064 -2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.886 4.206 -3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.993 5.475 -4.701 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.852 5.223 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.315 6.117 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.380 4.530 -1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.219 4.760 -3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.927 6.453 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.818 5.163 -2.295 1.00 0.00 H new ATOM 510 N HIS A 35 -0.049 8.768 -4.332 1.00 0.00 N ATOM 511 CA HIS A 35 0.198 9.860 -5.267 1.00 0.00 C ATOM 512 C HIS A 35 0.291 11.194 -4.533 1.00 0.00 C ATOM 513 O HIS A 35 -0.536 11.500 -3.674 1.00 0.00 O ATOM 514 CB HIS A 35 -0.912 9.920 -6.318 1.00 0.00 C ATOM 515 CG HIS A 35 -2.283 10.065 -5.733 1.00 0.00 C ATOM 516 ND1 HIS A 35 -3.154 11.070 -6.098 1.00 0.00 N ATOM 517 CD2 HIS A 35 -2.933 9.324 -4.806 1.00 0.00 C ATOM 518 CE1 HIS A 35 -4.280 10.942 -5.419 1.00 0.00 C ATOM 519 NE2 HIS A 35 -4.172 9.890 -4.628 1.00 0.00 N ATOM 0 H HIS A 35 -0.478 9.055 -3.452 1.00 0.00 H new ATOM 0 HA HIS A 35 1.150 9.672 -5.764 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.721 10.758 -6.988 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.878 9.014 -6.923 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.549 8.450 -4.300 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.142 11.588 -5.497 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.892 9.553 -3.989 1.00 0.00 H new ATOM 528 N SER A 36 1.304 11.983 -4.875 1.00 0.00 N ATOM 529 CA SER A 36 1.509 13.282 -4.245 1.00 0.00 C ATOM 530 C SER A 36 0.589 14.333 -4.857 1.00 0.00 C ATOM 531 O SER A 36 -0.074 14.084 -5.864 1.00 0.00 O ATOM 532 CB SER A 36 2.968 13.718 -4.389 1.00 0.00 C ATOM 533 OG SER A 36 3.310 13.913 -5.751 1.00 0.00 O ATOM 0 H SER A 36 1.996 11.745 -5.585 1.00 0.00 H new ATOM 0 HA SER A 36 1.269 13.187 -3.186 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.131 14.642 -3.834 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.621 12.963 -3.951 1.00 0.00 H new ATOM 0 HG SER A 36 4.247 14.193 -5.816 1.00 0.00 H new ATOM 539 N ASP A 37 0.553 15.510 -4.241 1.00 0.00 N ATOM 540 CA ASP A 37 -0.284 16.601 -4.725 1.00 0.00 C ATOM 541 C ASP A 37 0.556 17.655 -5.439 1.00 0.00 C ATOM 542 O ASP A 37 0.303 17.984 -6.599 1.00 0.00 O ATOM 543 CB ASP A 37 -1.047 17.240 -3.563 1.00 0.00 C ATOM 544 CG ASP A 37 -2.164 16.355 -3.047 1.00 0.00 C ATOM 545 OD1 ASP A 37 -3.065 16.014 -3.841 1.00 0.00 O ATOM 546 OD2 ASP A 37 -2.137 16.003 -1.849 1.00 0.00 O ATOM 0 H ASP A 37 1.094 15.732 -3.405 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.999 16.189 -5.437 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.353 17.454 -2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.463 18.194 -3.887 1.00 0.00 H new ATOM 551 N LEU A 38 1.555 18.182 -4.740 1.00 0.00 N ATOM 552 CA LEU A 38 2.432 19.200 -5.307 1.00 0.00 C ATOM 553 C LEU A 38 2.698 18.928 -6.784 1.00 0.00 C ATOM 554 O LEU A 38 2.380 19.749 -7.644 1.00 0.00 O ATOM 555 CB LEU A 38 3.754 19.248 -4.539 1.00 0.00 C ATOM 556 CG LEU A 38 3.793 20.179 -3.327 1.00 0.00 C ATOM 557 CD1 LEU A 38 4.946 19.810 -2.406 1.00 0.00 C ATOM 558 CD2 LEU A 38 3.908 21.630 -3.772 1.00 0.00 C ATOM 0 H LEU A 38 1.778 17.921 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 38 1.933 20.165 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.993 18.239 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.541 19.550 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 38 2.861 20.062 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.957 20.484 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.821 18.784 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.887 19.897 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.934 22.278 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.823 21.762 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.049 21.890 -4.390 1.00 0.00 H new ATOM 570 N ALA A 39 3.283 17.770 -7.071 1.00 0.00 N ATOM 571 CA ALA A 39 3.588 17.388 -8.444 1.00 0.00 C ATOM 572 C ALA A 39 2.477 17.820 -9.394 1.00 0.00 C ATOM 573 O ALA A 39 2.725 18.521 -10.375 1.00 0.00 O ATOM 574 CB ALA A 39 3.810 15.885 -8.537 1.00 0.00 C ATOM 0 H ALA A 39 3.555 17.080 -6.371 1.00 0.00 H new ATOM 0 HA ALA A 39 4.504 17.899 -8.742 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.037 15.614 -9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.643 15.600 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.909 15.363 -8.215 1.00 0.00 H new ATOM 580 N GLU A 40 1.252 17.398 -9.097 1.00 0.00 N ATOM 581 CA GLU A 40 0.104 17.741 -9.927 1.00 0.00 C ATOM 582 C GLU A 40 -0.270 19.211 -9.757 1.00 0.00 C ATOM 583 O GLU A 40 -0.219 19.988 -10.709 1.00 0.00 O ATOM 584 CB GLU A 40 -1.093 16.855 -9.573 1.00 0.00 C ATOM 585 CG GLU A 40 -2.259 16.993 -10.537 1.00 0.00 C ATOM 586 CD GLU A 40 -1.900 16.573 -11.950 1.00 0.00 C ATOM 587 OE1 GLU A 40 -1.394 17.423 -12.711 1.00 0.00 O ATOM 588 OE2 GLU A 40 -2.127 15.394 -12.293 1.00 0.00 O ATOM 0 H GLU A 40 1.029 16.818 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 40 0.377 17.571 -10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.770 15.814 -9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.433 17.103 -8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.093 16.387 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.599 18.029 -10.545 1.00 0.00 H new ATOM 595 N GLU A 41 -0.647 19.582 -8.537 1.00 0.00 N ATOM 596 CA GLU A 41 -1.031 20.958 -8.243 1.00 0.00 C ATOM 597 C GLU A 41 -0.167 21.943 -9.025 1.00 0.00 C ATOM 598 O GLU A 41 -0.669 22.704 -9.853 1.00 0.00 O ATOM 599 CB GLU A 41 -0.910 21.235 -6.743 1.00 0.00 C ATOM 600 CG GLU A 41 -2.063 20.679 -5.926 1.00 0.00 C ATOM 601 CD GLU A 41 -3.305 21.546 -6.003 1.00 0.00 C ATOM 602 OE1 GLU A 41 -3.163 22.787 -6.007 1.00 0.00 O ATOM 603 OE2 GLU A 41 -4.418 20.983 -6.060 1.00 0.00 O ATOM 0 H GLU A 41 -0.695 18.950 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.069 21.092 -8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.023 20.806 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.850 22.312 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.303 19.676 -6.279 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.754 20.586 -4.885 1.00 0.00 H new ATOM 610 N ARG A 42 1.134 21.923 -8.756 1.00 0.00 N ATOM 611 CA ARG A 42 2.068 22.815 -9.433 1.00 0.00 C ATOM 612 C ARG A 42 2.429 22.277 -10.814 1.00 0.00 C ATOM 613 O ARG A 42 2.208 22.940 -11.827 1.00 0.00 O ATOM 614 CB ARG A 42 3.335 22.992 -8.595 1.00 0.00 C ATOM 615 CG ARG A 42 3.170 23.966 -7.439 1.00 0.00 C ATOM 616 CD ARG A 42 4.486 24.196 -6.713 1.00 0.00 C ATOM 617 NE ARG A 42 4.284 24.763 -5.382 1.00 0.00 N ATOM 618 CZ ARG A 42 5.257 24.904 -4.488 1.00 0.00 C ATOM 619 NH1 ARG A 42 6.492 24.523 -4.782 1.00 0.00 N ATOM 620 NH2 ARG A 42 4.995 25.429 -3.298 1.00 0.00 N ATOM 0 H ARG A 42 1.565 21.299 -8.074 1.00 0.00 H new ATOM 0 HA ARG A 42 1.583 23.784 -9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.638 22.022 -8.201 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.141 23.340 -9.240 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.789 24.916 -7.814 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.430 23.579 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.023 23.251 -6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.113 24.866 -7.301 1.00 0.00 H new ATOM 0 HE ARG A 42 3.345 25.067 -5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.697 24.120 -5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.237 24.632 -4.094 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.046 25.725 -3.069 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.742 25.537 -2.612 1.00 0.00 H new ATOM 634 N GLY A 43 2.988 21.071 -10.847 1.00 0.00 N ATOM 635 CA GLY A 43 3.372 20.465 -12.108 1.00 0.00 C ATOM 636 C GLY A 43 4.812 19.993 -12.109 1.00 0.00 C ATOM 637 O GLY A 43 5.546 20.217 -13.073 1.00 0.00 O ATOM 0 H GLY A 43 3.182 20.503 -10.022 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.716 19.620 -12.316 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.229 21.186 -12.913 1.00 0.00 H new ATOM 641 N LEU A 44 5.220 19.338 -11.027 1.00 0.00 N ATOM 642 CA LEU A 44 6.583 18.834 -10.906 1.00 0.00 C ATOM 643 C LEU A 44 6.684 17.405 -11.429 1.00 0.00 C ATOM 644 O LEU A 44 5.676 16.711 -11.570 1.00 0.00 O ATOM 645 CB LEU A 44 7.041 18.889 -9.448 1.00 0.00 C ATOM 646 CG LEU A 44 6.851 20.228 -8.735 1.00 0.00 C ATOM 647 CD1 LEU A 44 6.850 20.035 -7.226 1.00 0.00 C ATOM 648 CD2 LEU A 44 7.938 21.210 -9.147 1.00 0.00 C ATOM 0 H LEU A 44 4.626 19.144 -10.221 1.00 0.00 H new ATOM 0 HA LEU A 44 7.233 19.468 -11.509 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.502 18.123 -8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.098 18.627 -9.410 1.00 0.00 H new ATOM 0 HG LEU A 44 5.885 20.640 -9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.714 20.999 -6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.036 19.367 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.800 19.601 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.787 22.158 -8.630 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.914 20.804 -8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.892 21.373 -10.224 1.00 0.00 H new ATOM 660 N LYS A 45 7.906 16.969 -11.714 1.00 0.00 N ATOM 661 CA LYS A 45 8.141 15.621 -12.218 1.00 0.00 C ATOM 662 C LYS A 45 8.537 14.678 -11.087 1.00 0.00 C ATOM 663 O LYS A 45 9.271 13.713 -11.299 1.00 0.00 O ATOM 664 CB LYS A 45 9.233 15.638 -13.289 1.00 0.00 C ATOM 665 CG LYS A 45 10.624 15.898 -12.736 1.00 0.00 C ATOM 666 CD LYS A 45 11.692 15.200 -13.560 1.00 0.00 C ATOM 667 CE LYS A 45 12.180 16.081 -14.700 1.00 0.00 C ATOM 668 NZ LYS A 45 13.503 15.635 -15.219 1.00 0.00 N ATOM 0 H LYS A 45 8.750 17.531 -11.604 1.00 0.00 H new ATOM 0 HA LYS A 45 7.213 15.259 -12.660 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.232 14.682 -13.812 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.995 16.405 -14.026 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.817 16.971 -12.723 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.676 15.552 -11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.532 14.934 -12.919 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.292 14.270 -13.963 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.449 16.067 -15.509 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.254 17.113 -14.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.801 16.261 -15.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.207 15.673 -14.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.427 14.659 -15.571 1.00 0.00 H new ATOM 682 N ILE A 46 8.047 14.964 -9.885 1.00 0.00 N ATOM 683 CA ILE A 46 8.349 14.140 -8.722 1.00 0.00 C ATOM 684 C ILE A 46 8.140 12.660 -9.027 1.00 0.00 C ATOM 685 O ILE A 46 7.117 12.269 -9.590 1.00 0.00 O ATOM 686 CB ILE A 46 7.478 14.531 -7.513 1.00 0.00 C ATOM 687 CG1 ILE A 46 7.952 15.862 -6.925 1.00 0.00 C ATOM 688 CG2 ILE A 46 7.514 13.436 -6.457 1.00 0.00 C ATOM 689 CD1 ILE A 46 7.455 16.111 -5.518 1.00 0.00 C ATOM 0 H ILE A 46 7.439 15.760 -9.692 1.00 0.00 H new ATOM 0 HA ILE A 46 9.397 14.314 -8.476 1.00 0.00 H new ATOM 0 HB ILE A 46 6.448 14.650 -7.849 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.042 15.883 -6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.617 16.675 -7.569 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.894 13.727 -5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.134 12.507 -6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.540 13.288 -6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.829 17.072 -5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.365 16.122 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.812 15.318 -4.860 1.00 0.00 H new ATOM 701 N THR A 47 9.115 11.840 -8.649 1.00 0.00 N ATOM 702 CA THR A 47 9.039 10.403 -8.881 1.00 0.00 C ATOM 703 C THR A 47 8.941 9.638 -7.567 1.00 0.00 C ATOM 704 O THR A 47 9.544 10.026 -6.565 1.00 0.00 O ATOM 705 CB THR A 47 10.262 9.895 -9.668 1.00 0.00 C ATOM 706 OG1 THR A 47 10.473 10.712 -10.825 1.00 0.00 O ATOM 707 CG2 THR A 47 10.069 8.447 -10.092 1.00 0.00 C ATOM 0 H THR A 47 9.967 12.147 -8.180 1.00 0.00 H new ATOM 0 HA THR A 47 8.139 10.226 -9.469 1.00 0.00 H new ATOM 0 HB THR A 47 11.135 9.953 -9.018 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.253 10.384 -11.319 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.945 8.110 -10.646 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.937 7.823 -9.208 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.186 8.368 -10.726 1.00 0.00 H new ATOM 715 N TYR A 48 8.180 8.550 -7.576 1.00 0.00 N ATOM 716 CA TYR A 48 8.003 7.730 -6.383 1.00 0.00 C ATOM 717 C TYR A 48 8.966 6.547 -6.386 1.00 0.00 C ATOM 718 O TYR A 48 9.626 6.271 -7.388 1.00 0.00 O ATOM 719 CB TYR A 48 6.561 7.229 -6.293 1.00 0.00 C ATOM 720 CG TYR A 48 5.531 8.278 -6.648 1.00 0.00 C ATOM 721 CD1 TYR A 48 5.459 9.474 -5.945 1.00 0.00 C ATOM 722 CD2 TYR A 48 4.630 8.072 -7.685 1.00 0.00 C ATOM 723 CE1 TYR A 48 4.520 10.435 -6.265 1.00 0.00 C ATOM 724 CE2 TYR A 48 3.689 9.028 -8.013 1.00 0.00 C ATOM 725 CZ TYR A 48 3.637 10.208 -7.300 1.00 0.00 C ATOM 726 OH TYR A 48 2.700 11.162 -7.623 1.00 0.00 O ATOM 0 H TYR A 48 7.675 8.215 -8.397 1.00 0.00 H new ATOM 0 HA TYR A 48 8.221 8.349 -5.512 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.440 6.374 -6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.371 6.874 -5.280 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.149 9.655 -5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.666 7.149 -8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.477 11.359 -5.708 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.997 8.853 -8.824 1.00 0.00 H new ATOM 0 HH TYR A 48 2.157 10.846 -8.375 1.00 0.00 H new ATOM 736 N LYS A 49 9.040 5.850 -5.258 1.00 0.00 N ATOM 737 CA LYS A 49 9.920 4.695 -5.128 1.00 0.00 C ATOM 738 C LYS A 49 9.503 3.823 -3.948 1.00 0.00 C ATOM 739 O LYS A 49 9.005 4.323 -2.939 1.00 0.00 O ATOM 740 CB LYS A 49 11.371 5.149 -4.952 1.00 0.00 C ATOM 741 CG LYS A 49 12.366 4.003 -4.907 1.00 0.00 C ATOM 742 CD LYS A 49 13.636 4.395 -4.170 1.00 0.00 C ATOM 743 CE LYS A 49 14.825 3.566 -4.629 1.00 0.00 C ATOM 744 NZ LYS A 49 15.410 4.089 -5.895 1.00 0.00 N ATOM 0 H LYS A 49 8.500 6.065 -4.419 1.00 0.00 H new ATOM 0 HA LYS A 49 9.839 4.105 -6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.636 5.817 -5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.453 5.726 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.910 3.143 -4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.614 3.695 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.843 5.452 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.491 4.263 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.588 3.563 -3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.513 2.532 -4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.218 3.497 -6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.690 4.068 -6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.731 5.067 -5.751 1.00 0.00 H new ATOM 758 N TYR A 50 9.710 2.517 -4.080 1.00 0.00 N ATOM 759 CA TYR A 50 9.354 1.576 -3.025 1.00 0.00 C ATOM 760 C TYR A 50 10.590 0.849 -2.504 1.00 0.00 C ATOM 761 O TYR A 50 11.454 0.433 -3.277 1.00 0.00 O ATOM 762 CB TYR A 50 8.332 0.562 -3.541 1.00 0.00 C ATOM 763 CG TYR A 50 6.897 0.998 -3.352 1.00 0.00 C ATOM 764 CD1 TYR A 50 6.401 2.122 -4.001 1.00 0.00 C ATOM 765 CD2 TYR A 50 6.038 0.288 -2.523 1.00 0.00 C ATOM 766 CE1 TYR A 50 5.090 2.525 -3.830 1.00 0.00 C ATOM 767 CE2 TYR A 50 4.725 0.682 -2.347 1.00 0.00 C ATOM 768 CZ TYR A 50 4.257 1.802 -3.003 1.00 0.00 C ATOM 769 OH TYR A 50 2.950 2.199 -2.830 1.00 0.00 O ATOM 0 H TYR A 50 10.123 2.086 -4.907 1.00 0.00 H new ATOM 0 HA TYR A 50 8.913 2.140 -2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.512 0.385 -4.601 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.485 -0.388 -3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.051 2.690 -4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.403 -0.588 -2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.720 3.401 -4.341 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.070 0.117 -1.700 1.00 0.00 H new ATOM 0 HH TYR A 50 2.499 1.581 -2.217 1.00 0.00 H new ATOM 779 N THR A 51 10.668 0.699 -1.185 1.00 0.00 N ATOM 780 CA THR A 51 11.797 0.024 -0.558 1.00 0.00 C ATOM 781 C THR A 51 11.326 -0.977 0.490 1.00 0.00 C ATOM 782 O THR A 51 10.559 -0.635 1.390 1.00 0.00 O ATOM 783 CB THR A 51 12.756 1.030 0.104 1.00 0.00 C ATOM 784 OG1 THR A 51 12.100 1.689 1.193 1.00 0.00 O ATOM 785 CG2 THR A 51 13.238 2.063 -0.904 1.00 0.00 C ATOM 0 H THR A 51 9.962 1.036 -0.531 1.00 0.00 H new ATOM 0 HA THR A 51 12.328 -0.505 -1.349 1.00 0.00 H new ATOM 0 HB THR A 51 13.620 0.481 0.479 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.395 1.109 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 51 13.914 2.763 -0.413 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.763 1.561 -1.717 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.383 2.606 -1.306 1.00 0.00 H new ATOM 793 N GLY A 52 11.790 -2.218 0.369 1.00 0.00 N ATOM 794 CA GLY A 52 11.405 -3.249 1.314 1.00 0.00 C ATOM 795 C GLY A 52 11.389 -4.631 0.690 1.00 0.00 C ATOM 796 O GLY A 52 11.325 -4.768 -0.532 1.00 0.00 O ATOM 0 H GLY A 52 12.425 -2.527 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.097 -3.242 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.416 -3.022 1.712 1.00 0.00 H new ATOM 800 N LYS A 53 11.450 -5.658 1.530 1.00 0.00 N ATOM 801 CA LYS A 53 11.443 -7.037 1.054 1.00 0.00 C ATOM 802 C LYS A 53 10.341 -7.251 0.022 1.00 0.00 C ATOM 803 O LYS A 53 9.228 -6.750 0.174 1.00 0.00 O ATOM 804 CB LYS A 53 11.251 -8.001 2.227 1.00 0.00 C ATOM 805 CG LYS A 53 11.794 -9.395 1.963 1.00 0.00 C ATOM 806 CD LYS A 53 12.263 -10.063 3.245 1.00 0.00 C ATOM 807 CE LYS A 53 11.110 -10.727 3.982 1.00 0.00 C ATOM 808 NZ LYS A 53 10.212 -9.727 4.623 1.00 0.00 N ATOM 0 H LYS A 53 11.505 -5.562 2.544 1.00 0.00 H new ATOM 0 HA LYS A 53 12.404 -7.236 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.742 -7.590 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.188 -8.072 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.021 -10.005 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.623 -9.336 1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.024 -10.808 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.731 -9.322 3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.536 -11.336 3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.505 -11.401 4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.799 -10.134 5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.758 -8.877 4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.451 -9.471 3.963 1.00 0.00 H new ATOM 822 N GLY A 54 10.659 -8.000 -1.030 1.00 0.00 N ATOM 823 CA GLY A 54 9.685 -8.268 -2.072 1.00 0.00 C ATOM 824 C GLY A 54 9.938 -7.454 -3.326 1.00 0.00 C ATOM 825 O GLY A 54 9.688 -7.922 -4.437 1.00 0.00 O ATOM 0 H GLY A 54 11.574 -8.426 -1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.706 -9.329 -2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.686 -8.049 -1.696 1.00 0.00 H new ATOM 829 N ILE A 55 10.434 -6.235 -3.148 1.00 0.00 N ATOM 830 CA ILE A 55 10.721 -5.355 -4.274 1.00 0.00 C ATOM 831 C ILE A 55 12.223 -5.231 -4.507 1.00 0.00 C ATOM 832 O ILE A 55 12.711 -5.448 -5.617 1.00 0.00 O ATOM 833 CB ILE A 55 10.129 -3.950 -4.056 1.00 0.00 C ATOM 834 CG1 ILE A 55 8.613 -4.035 -3.866 1.00 0.00 C ATOM 835 CG2 ILE A 55 10.471 -3.044 -5.229 1.00 0.00 C ATOM 836 CD1 ILE A 55 8.016 -2.808 -3.215 1.00 0.00 C ATOM 0 H ILE A 55 10.646 -5.834 -2.234 1.00 0.00 H new ATOM 0 HA ILE A 55 10.256 -5.804 -5.151 1.00 0.00 H new ATOM 0 HB ILE A 55 10.566 -3.524 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.141 -4.187 -4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.380 -4.909 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.046 -2.055 -5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.554 -2.963 -5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.059 -3.465 -6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.939 -2.938 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.460 -2.666 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.218 -1.933 -3.833 1.00 0.00 H new ATOM 848 N THR A 56 12.953 -4.883 -3.452 1.00 0.00 N ATOM 849 CA THR A 56 14.400 -4.732 -3.541 1.00 0.00 C ATOM 850 C THR A 56 15.115 -5.988 -3.057 1.00 0.00 C ATOM 851 O THR A 56 15.904 -6.584 -3.788 1.00 0.00 O ATOM 852 CB THR A 56 14.889 -3.526 -2.716 1.00 0.00 C ATOM 853 OG1 THR A 56 14.377 -3.605 -1.381 1.00 0.00 O ATOM 854 CG2 THR A 56 14.450 -2.218 -3.357 1.00 0.00 C ATOM 0 H THR A 56 12.566 -4.700 -2.526 1.00 0.00 H new ATOM 0 HA THR A 56 14.637 -4.565 -4.592 1.00 0.00 H new ATOM 0 HB THR A 56 15.978 -3.551 -2.688 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.694 -2.836 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.807 -1.381 -2.757 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.866 -2.148 -4.362 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.362 -2.187 -3.412 1.00 0.00 H new ATOM 862 N GLU A 57 14.833 -6.384 -1.820 1.00 0.00 N ATOM 863 CA GLU A 57 15.451 -7.571 -1.239 1.00 0.00 C ATOM 864 C GLU A 57 14.693 -8.832 -1.643 1.00 0.00 C ATOM 865 O GLU A 57 13.480 -8.817 -1.854 1.00 0.00 O ATOM 866 CB GLU A 57 15.495 -7.455 0.286 1.00 0.00 C ATOM 867 CG GLU A 57 16.274 -6.249 0.783 1.00 0.00 C ATOM 868 CD GLU A 57 17.761 -6.522 0.896 1.00 0.00 C ATOM 869 OE1 GLU A 57 18.155 -7.297 1.793 1.00 0.00 O ATOM 870 OE2 GLU A 57 18.531 -5.961 0.088 1.00 0.00 O ATOM 0 H GLU A 57 14.182 -5.901 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 57 16.470 -7.643 -1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.475 -7.400 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.941 -8.360 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.113 -5.412 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.888 -5.948 1.757 1.00 0.00 H new ATOM 877 N PRO A 58 15.424 -9.951 -1.755 1.00 0.00 N ATOM 878 CA PRO A 58 14.843 -11.242 -2.135 1.00 0.00 C ATOM 879 C PRO A 58 13.949 -11.819 -1.042 1.00 0.00 C ATOM 880 O PRO A 58 14.199 -11.651 0.151 1.00 0.00 O ATOM 881 CB PRO A 58 16.068 -12.134 -2.349 1.00 0.00 C ATOM 882 CG PRO A 58 17.133 -11.523 -1.504 1.00 0.00 C ATOM 883 CD PRO A 58 16.875 -10.042 -1.519 1.00 0.00 C ATOM 0 HA PRO A 58 14.202 -11.158 -3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.866 -13.162 -2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.361 -12.159 -3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 58 17.097 -11.915 -0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 58 18.123 -11.751 -1.899 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.159 -9.575 -0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.442 -9.543 -2.305 1.00 0.00 H new ATOM 891 N PRO A 59 12.880 -12.515 -1.458 1.00 0.00 N ATOM 892 CA PRO A 59 12.571 -12.720 -2.876 1.00 0.00 C ATOM 893 C PRO A 59 12.123 -11.435 -3.563 1.00 0.00 C ATOM 894 O PRO A 59 11.341 -10.662 -3.009 1.00 0.00 O ATOM 895 CB PRO A 59 11.427 -13.737 -2.846 1.00 0.00 C ATOM 896 CG PRO A 59 10.785 -13.546 -1.515 1.00 0.00 C ATOM 897 CD PRO A 59 11.890 -13.155 -0.574 1.00 0.00 C ATOM 0 HA PRO A 59 13.442 -13.054 -3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.719 -13.561 -3.656 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.799 -14.755 -2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.018 -12.773 -1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.296 -14.462 -1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.538 -12.470 0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.309 -14.022 -0.063 1.00 0.00 H new ATOM 905 N PHE A 60 12.624 -11.211 -4.774 1.00 0.00 N ATOM 906 CA PHE A 60 12.276 -10.019 -5.537 1.00 0.00 C ATOM 907 C PHE A 60 11.416 -10.378 -6.745 1.00 0.00 C ATOM 908 O PHE A 60 11.593 -11.431 -7.357 1.00 0.00 O ATOM 909 CB PHE A 60 13.542 -9.293 -5.996 1.00 0.00 C ATOM 910 CG PHE A 60 14.692 -10.217 -6.280 1.00 0.00 C ATOM 911 CD1 PHE A 60 14.749 -10.929 -7.467 1.00 0.00 C ATOM 912 CD2 PHE A 60 15.716 -10.372 -5.360 1.00 0.00 C ATOM 913 CE1 PHE A 60 15.807 -11.779 -7.732 1.00 0.00 C ATOM 914 CE2 PHE A 60 16.776 -11.221 -5.619 1.00 0.00 C ATOM 915 CZ PHE A 60 16.821 -11.926 -6.806 1.00 0.00 C ATOM 0 H PHE A 60 13.272 -11.840 -5.247 1.00 0.00 H new ATOM 0 HA PHE A 60 11.702 -9.358 -4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.317 -8.719 -6.895 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.841 -8.579 -5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.958 -10.819 -8.194 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.686 -9.824 -4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 60 15.840 -12.327 -8.662 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.568 -11.333 -4.894 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.647 -12.591 -7.010 1.00 0.00 H new ATOM 925 N GLY A 61 10.481 -9.495 -7.083 1.00 0.00 N ATOM 926 CA GLY A 61 9.607 -9.736 -8.216 1.00 0.00 C ATOM 927 C GLY A 61 8.165 -9.951 -7.800 1.00 0.00 C ATOM 928 O GLY A 61 7.244 -9.711 -8.581 1.00 0.00 O ATOM 0 H GLY A 61 10.313 -8.617 -6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.662 -8.889 -8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.959 -10.611 -8.763 1.00 0.00 H new ATOM 932 N ILE A 62 7.968 -10.406 -6.567 1.00 0.00 N ATOM 933 CA ILE A 62 6.628 -10.653 -6.049 1.00 0.00 C ATOM 934 C ILE A 62 5.751 -9.412 -6.179 1.00 0.00 C ATOM 935 O ILE A 62 4.614 -9.489 -6.644 1.00 0.00 O ATOM 936 CB ILE A 62 6.667 -11.089 -4.573 1.00 0.00 C ATOM 937 CG1 ILE A 62 7.283 -12.484 -4.446 1.00 0.00 C ATOM 938 CG2 ILE A 62 5.267 -11.067 -3.977 1.00 0.00 C ATOM 939 CD1 ILE A 62 7.552 -12.898 -3.016 1.00 0.00 C ATOM 0 H ILE A 62 8.719 -10.611 -5.908 1.00 0.00 H new ATOM 0 HA ILE A 62 6.202 -11.459 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 62 7.289 -10.386 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.614 -13.211 -4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.218 -12.512 -5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.311 -11.378 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.861 -10.057 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.624 -11.750 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.988 -13.897 -3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.245 -12.193 -2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.617 -12.903 -2.457 1.00 0.00 H new ATOM 951 N PHE A 63 6.288 -8.269 -5.765 1.00 0.00 N ATOM 952 CA PHE A 63 5.555 -7.011 -5.836 1.00 0.00 C ATOM 953 C PHE A 63 5.911 -6.244 -7.106 1.00 0.00 C ATOM 954 O PHE A 63 7.070 -6.210 -7.520 1.00 0.00 O ATOM 955 CB PHE A 63 5.856 -6.151 -4.606 1.00 0.00 C ATOM 956 CG PHE A 63 5.175 -6.632 -3.357 1.00 0.00 C ATOM 957 CD1 PHE A 63 3.796 -6.573 -3.237 1.00 0.00 C ATOM 958 CD2 PHE A 63 5.914 -7.144 -2.303 1.00 0.00 C ATOM 959 CE1 PHE A 63 3.167 -7.014 -2.088 1.00 0.00 C ATOM 960 CE2 PHE A 63 5.290 -7.587 -1.151 1.00 0.00 C ATOM 961 CZ PHE A 63 3.915 -7.523 -1.045 1.00 0.00 C ATOM 0 H PHE A 63 7.228 -8.188 -5.377 1.00 0.00 H new ATOM 0 HA PHE A 63 4.490 -7.241 -5.859 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.933 -6.134 -4.439 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.548 -5.125 -4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.206 -6.178 -4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.990 -7.198 -2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.091 -6.961 -2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.877 -7.982 -0.336 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.425 -7.871 -0.147 1.00 0.00 H new ATOM 971 N VAL A 64 4.905 -5.631 -7.721 1.00 0.00 N ATOM 972 CA VAL A 64 5.110 -4.864 -8.944 1.00 0.00 C ATOM 973 C VAL A 64 4.660 -3.418 -8.769 1.00 0.00 C ATOM 974 O VAL A 64 3.636 -3.147 -8.140 1.00 0.00 O ATOM 975 CB VAL A 64 4.351 -5.486 -10.131 1.00 0.00 C ATOM 976 CG1 VAL A 64 4.941 -6.840 -10.492 1.00 0.00 C ATOM 977 CG2 VAL A 64 2.869 -5.610 -9.809 1.00 0.00 C ATOM 0 H VAL A 64 3.940 -5.651 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 64 6.179 -4.885 -9.155 1.00 0.00 H new ATOM 0 HB VAL A 64 4.459 -4.828 -10.993 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.392 -7.264 -11.333 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.989 -6.719 -10.767 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.866 -7.510 -9.635 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.348 -6.051 -10.659 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.739 -6.246 -8.933 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.457 -4.622 -9.604 1.00 0.00 H new ATOM 987 N PHE A 65 5.430 -2.492 -9.329 1.00 0.00 N ATOM 988 CA PHE A 65 5.111 -1.072 -9.234 1.00 0.00 C ATOM 989 C PHE A 65 6.022 -0.248 -10.139 1.00 0.00 C ATOM 990 O PHE A 65 7.045 -0.736 -10.618 1.00 0.00 O ATOM 991 CB PHE A 65 5.243 -0.593 -7.787 1.00 0.00 C ATOM 992 CG PHE A 65 6.617 -0.091 -7.445 1.00 0.00 C ATOM 993 CD1 PHE A 65 7.662 -0.977 -7.240 1.00 0.00 C ATOM 994 CD2 PHE A 65 6.863 1.268 -7.329 1.00 0.00 C ATOM 995 CE1 PHE A 65 8.927 -0.517 -6.925 1.00 0.00 C ATOM 996 CE2 PHE A 65 8.125 1.734 -7.014 1.00 0.00 C ATOM 997 CZ PHE A 65 9.159 0.840 -6.812 1.00 0.00 C ATOM 0 H PHE A 65 6.280 -2.699 -9.854 1.00 0.00 H new ATOM 0 HA PHE A 65 4.081 -0.934 -9.562 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.519 0.202 -7.608 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.987 -1.413 -7.116 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.486 -2.039 -7.327 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.059 1.971 -7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.733 -1.218 -6.767 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.303 2.796 -6.926 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.147 1.201 -6.566 1.00 0.00 H new ATOM 1007 N ASN A 66 5.642 1.004 -10.370 1.00 0.00 N ATOM 1008 CA ASN A 66 6.423 1.897 -11.218 1.00 0.00 C ATOM 1009 C ASN A 66 6.799 3.171 -10.468 1.00 0.00 C ATOM 1010 O ASN A 66 6.152 3.541 -9.488 1.00 0.00 O ATOM 1011 CB ASN A 66 5.638 2.249 -12.483 1.00 0.00 C ATOM 1012 CG ASN A 66 6.543 2.529 -13.667 1.00 0.00 C ATOM 1013 OD1 ASN A 66 7.572 1.876 -13.844 1.00 0.00 O ATOM 1014 ND2 ASN A 66 6.164 3.504 -14.485 1.00 0.00 N ATOM 0 H ASN A 66 4.797 1.424 -9.982 1.00 0.00 H new ATOM 0 HA ASN A 66 7.340 1.379 -11.500 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.965 1.428 -12.730 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.016 3.123 -12.290 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.733 3.738 -15.298 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.303 4.019 -14.300 1.00 0.00 H new ATOM 1021 N LYS A 67 7.848 3.839 -10.935 1.00 0.00 N ATOM 1022 CA LYS A 67 8.310 5.073 -10.311 1.00 0.00 C ATOM 1023 C LYS A 67 7.438 6.253 -10.728 1.00 0.00 C ATOM 1024 O LYS A 67 7.378 7.269 -10.034 1.00 0.00 O ATOM 1025 CB LYS A 67 9.768 5.345 -10.688 1.00 0.00 C ATOM 1026 CG LYS A 67 9.939 5.918 -12.084 1.00 0.00 C ATOM 1027 CD LYS A 67 9.804 4.843 -13.149 1.00 0.00 C ATOM 1028 CE LYS A 67 10.303 5.331 -14.500 1.00 0.00 C ATOM 1029 NZ LYS A 67 11.775 5.557 -14.500 1.00 0.00 N ATOM 0 H LYS A 67 8.395 3.546 -11.745 1.00 0.00 H new ATOM 0 HA LYS A 67 8.237 4.953 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.198 6.038 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.333 4.416 -10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.193 6.695 -12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.917 6.392 -12.166 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.368 3.960 -12.849 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.760 4.542 -13.233 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.048 4.600 -15.267 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.793 6.258 -14.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.127 5.555 -15.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.985 6.475 -14.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.243 4.799 -13.963 1.00 0.00 H new ATOM 1043 N ASP A 68 6.762 6.112 -11.863 1.00 0.00 N ATOM 1044 CA ASP A 68 5.891 7.165 -12.370 1.00 0.00 C ATOM 1045 C ASP A 68 4.515 7.095 -11.716 1.00 0.00 C ATOM 1046 O ASP A 68 4.054 8.061 -11.108 1.00 0.00 O ATOM 1047 CB ASP A 68 5.754 7.055 -13.890 1.00 0.00 C ATOM 1048 CG ASP A 68 4.931 8.184 -14.480 1.00 0.00 C ATOM 1049 OD1 ASP A 68 4.977 9.303 -13.928 1.00 0.00 O ATOM 1050 OD2 ASP A 68 4.242 7.947 -15.494 1.00 0.00 O ATOM 0 H ASP A 68 6.801 5.278 -12.449 1.00 0.00 H new ATOM 0 HA ASP A 68 6.342 8.126 -12.122 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.746 7.057 -14.342 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.291 6.101 -14.142 1.00 0.00 H new ATOM 1055 N THR A 69 3.862 5.944 -11.846 1.00 0.00 N ATOM 1056 CA THR A 69 2.537 5.747 -11.270 1.00 0.00 C ATOM 1057 C THR A 69 2.623 5.496 -9.769 1.00 0.00 C ATOM 1058 O THR A 69 1.825 6.024 -8.995 1.00 0.00 O ATOM 1059 CB THR A 69 1.805 4.568 -11.936 1.00 0.00 C ATOM 1060 OG1 THR A 69 2.506 3.346 -11.678 1.00 0.00 O ATOM 1061 CG2 THR A 69 1.686 4.782 -13.438 1.00 0.00 C ATOM 0 H THR A 69 4.229 5.134 -12.345 1.00 0.00 H new ATOM 0 HA THR A 69 1.974 6.662 -11.451 1.00 0.00 H new ATOM 0 HB THR A 69 0.802 4.508 -11.513 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.033 2.601 -12.104 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.165 3.936 -13.886 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.126 5.697 -13.632 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.682 4.867 -13.873 1.00 0.00 H new ATOM 1069 N GLY A 70 3.596 4.685 -9.364 1.00 0.00 N ATOM 1070 CA GLY A 70 3.767 4.379 -7.956 1.00 0.00 C ATOM 1071 C GLY A 70 2.840 3.275 -7.486 1.00 0.00 C ATOM 1072 O GLY A 70 3.077 2.657 -6.448 1.00 0.00 O ATOM 0 H GLY A 70 4.268 4.235 -9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.800 4.083 -7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.584 5.278 -7.367 1.00 0.00 H new ATOM 1076 N GLU A 71 1.782 3.027 -8.251 1.00 0.00 N ATOM 1077 CA GLU A 71 0.815 1.992 -7.904 1.00 0.00 C ATOM 1078 C GLU A 71 1.520 0.683 -7.560 1.00 0.00 C ATOM 1079 O GLU A 71 2.428 0.248 -8.270 1.00 0.00 O ATOM 1080 CB GLU A 71 -0.162 1.768 -9.060 1.00 0.00 C ATOM 1081 CG GLU A 71 -1.356 0.904 -8.689 1.00 0.00 C ATOM 1082 CD GLU A 71 -2.050 0.317 -9.903 1.00 0.00 C ATOM 1083 OE1 GLU A 71 -1.437 -0.531 -10.585 1.00 0.00 O ATOM 1084 OE2 GLU A 71 -3.207 0.705 -10.171 1.00 0.00 O ATOM 0 H GLU A 71 1.573 3.528 -9.114 1.00 0.00 H new ATOM 0 HA GLU A 71 0.260 2.328 -7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.520 2.735 -9.415 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.370 1.301 -9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.026 0.095 -8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.069 1.501 -8.120 1.00 0.00 H new ATOM 1091 N LEU A 72 1.097 0.060 -6.465 1.00 0.00 N ATOM 1092 CA LEU A 72 1.687 -1.199 -6.025 1.00 0.00 C ATOM 1093 C LEU A 72 0.704 -2.352 -6.201 1.00 0.00 C ATOM 1094 O LEU A 72 -0.508 -2.167 -6.107 1.00 0.00 O ATOM 1095 CB LEU A 72 2.116 -1.099 -4.560 1.00 0.00 C ATOM 1096 CG LEU A 72 2.824 -2.325 -3.983 1.00 0.00 C ATOM 1097 CD1 LEU A 72 4.318 -2.259 -4.261 1.00 0.00 C ATOM 1098 CD2 LEU A 72 2.563 -2.437 -2.488 1.00 0.00 C ATOM 0 H LEU A 72 0.348 0.407 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 72 2.564 -1.396 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.777 -0.239 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.231 -0.897 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 72 2.423 -3.214 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.805 -3.140 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.487 -2.228 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.734 -1.362 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.075 -3.315 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.936 -1.544 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.492 -2.532 -2.312 1.00 0.00 H new ATOM 1110 N ASN A 73 1.237 -3.543 -6.456 1.00 0.00 N ATOM 1111 CA ASN A 73 0.407 -4.727 -6.644 1.00 0.00 C ATOM 1112 C ASN A 73 1.165 -5.991 -6.251 1.00 0.00 C ATOM 1113 O ASN A 73 2.393 -5.988 -6.158 1.00 0.00 O ATOM 1114 CB ASN A 73 -0.054 -4.827 -8.100 1.00 0.00 C ATOM 1115 CG ASN A 73 -0.209 -3.467 -8.752 1.00 0.00 C ATOM 1116 OD1 ASN A 73 0.774 -2.765 -8.990 1.00 0.00 O ATOM 1117 ND2 ASN A 73 -1.448 -3.088 -9.043 1.00 0.00 N ATOM 0 H ASN A 73 2.239 -3.713 -6.537 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.467 -4.633 -5.999 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.666 -5.418 -8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.005 -5.357 -8.141 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.615 -2.182 -9.482 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.233 -3.703 -8.828 1.00 0.00 H new ATOM 1124 N VAL A 74 0.425 -7.072 -6.022 1.00 0.00 N ATOM 1125 CA VAL A 74 1.027 -8.344 -5.641 1.00 0.00 C ATOM 1126 C VAL A 74 0.677 -9.439 -6.642 1.00 0.00 C ATOM 1127 O VAL A 74 -0.494 -9.764 -6.840 1.00 0.00 O ATOM 1128 CB VAL A 74 0.571 -8.782 -4.237 1.00 0.00 C ATOM 1129 CG1 VAL A 74 -0.939 -8.958 -4.196 1.00 0.00 C ATOM 1130 CG2 VAL A 74 1.278 -10.065 -3.824 1.00 0.00 C ATOM 0 H VAL A 74 -0.592 -7.092 -6.094 1.00 0.00 H new ATOM 0 HA VAL A 74 2.107 -8.194 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 74 0.840 -8.001 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.242 -9.268 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.422 -8.013 -4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.236 -9.719 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.944 -10.360 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.042 -10.856 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.355 -9.899 -3.811 1.00 0.00 H new ATOM 1140 N THR A 75 1.701 -10.007 -7.271 1.00 0.00 N ATOM 1141 CA THR A 75 1.502 -11.067 -8.253 1.00 0.00 C ATOM 1142 C THR A 75 1.986 -12.410 -7.718 1.00 0.00 C ATOM 1143 O THR A 75 2.652 -13.166 -8.424 1.00 0.00 O ATOM 1144 CB THR A 75 2.238 -10.757 -9.570 1.00 0.00 C ATOM 1145 OG1 THR A 75 3.651 -10.708 -9.343 1.00 0.00 O ATOM 1146 CG2 THR A 75 1.767 -9.434 -10.155 1.00 0.00 C ATOM 0 H THR A 75 2.677 -9.751 -7.118 1.00 0.00 H new ATOM 0 HA THR A 75 0.431 -11.121 -8.447 1.00 0.00 H new ATOM 0 HB THR A 75 2.013 -11.552 -10.281 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.835 -10.179 -8.539 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.301 -9.237 -11.085 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.697 -9.485 -10.355 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.965 -8.631 -9.445 1.00 0.00 H new ATOM 1154 N SER A 76 1.645 -12.700 -6.466 1.00 0.00 N ATOM 1155 CA SER A 76 2.048 -13.952 -5.835 1.00 0.00 C ATOM 1156 C SER A 76 1.197 -14.236 -4.601 1.00 0.00 C ATOM 1157 O SER A 76 0.659 -13.319 -3.980 1.00 0.00 O ATOM 1158 CB SER A 76 3.527 -13.899 -5.448 1.00 0.00 C ATOM 1159 OG SER A 76 4.082 -15.202 -5.379 1.00 0.00 O ATOM 0 H SER A 76 1.091 -12.086 -5.869 1.00 0.00 H new ATOM 0 HA SER A 76 1.897 -14.758 -6.553 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.076 -13.304 -6.178 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.637 -13.402 -4.484 1.00 0.00 H new ATOM 0 HG SER A 76 5.028 -15.142 -5.132 1.00 0.00 H new ATOM 1165 N ILE A 77 1.081 -15.513 -4.252 1.00 0.00 N ATOM 1166 CA ILE A 77 0.297 -15.919 -3.092 1.00 0.00 C ATOM 1167 C ILE A 77 1.073 -15.695 -1.799 1.00 0.00 C ATOM 1168 O ILE A 77 1.827 -16.563 -1.356 1.00 0.00 O ATOM 1169 CB ILE A 77 -0.115 -17.400 -3.181 1.00 0.00 C ATOM 1170 CG1 ILE A 77 -0.949 -17.645 -4.440 1.00 0.00 C ATOM 1171 CG2 ILE A 77 -0.890 -17.810 -1.938 1.00 0.00 C ATOM 1172 CD1 ILE A 77 -2.239 -16.856 -4.474 1.00 0.00 C ATOM 0 H ILE A 77 1.520 -16.284 -4.756 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.601 -15.301 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 77 0.787 -18.010 -3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.353 -17.389 -5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.181 -18.708 -4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.174 -18.859 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.265 -17.668 -1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.787 -17.197 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.778 -17.080 -5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.855 -17.129 -3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.015 -15.790 -4.435 1.00 0.00 H new ATOM 1184 N LEU A 78 0.882 -14.527 -1.195 1.00 0.00 N ATOM 1185 CA LEU A 78 1.563 -14.189 0.050 1.00 0.00 C ATOM 1186 C LEU A 78 1.726 -15.422 0.933 1.00 0.00 C ATOM 1187 O LEU A 78 0.751 -16.101 1.254 1.00 0.00 O ATOM 1188 CB LEU A 78 0.785 -13.108 0.802 1.00 0.00 C ATOM 1189 CG LEU A 78 0.648 -11.762 0.090 1.00 0.00 C ATOM 1190 CD1 LEU A 78 -0.331 -10.863 0.831 1.00 0.00 C ATOM 1191 CD2 LEU A 78 2.005 -11.085 -0.037 1.00 0.00 C ATOM 0 H LEU A 78 0.261 -13.798 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 78 2.554 -13.809 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.215 -13.488 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.272 -12.940 1.763 1.00 0.00 H new ATOM 0 HG LEU A 78 0.258 -11.941 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.416 -9.910 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.309 -11.344 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.029 -10.691 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.888 -10.128 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.423 -10.919 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.677 -11.722 -0.612 1.00 0.00 H new ATOM 1203 N ASP A 79 2.964 -15.703 1.324 1.00 0.00 N ATOM 1204 CA ASP A 79 3.255 -16.852 2.174 1.00 0.00 C ATOM 1205 C ASP A 79 3.544 -16.411 3.605 1.00 0.00 C ATOM 1206 O ASP A 79 4.631 -15.916 3.905 1.00 0.00 O ATOM 1207 CB ASP A 79 4.445 -17.636 1.618 1.00 0.00 C ATOM 1208 CG ASP A 79 4.290 -17.957 0.145 1.00 0.00 C ATOM 1209 OD1 ASP A 79 3.288 -18.608 -0.219 1.00 0.00 O ATOM 1210 OD2 ASP A 79 5.170 -17.556 -0.645 1.00 0.00 O ATOM 0 H ASP A 79 3.782 -15.151 1.066 1.00 0.00 H new ATOM 0 HA ASP A 79 2.377 -17.497 2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.358 -17.059 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.559 -18.564 2.179 1.00 0.00 H new ATOM 1215 N ARG A 80 2.564 -16.592 4.485 1.00 0.00 N ATOM 1216 CA ARG A 80 2.713 -16.210 5.884 1.00 0.00 C ATOM 1217 C ARG A 80 3.904 -16.923 6.518 1.00 0.00 C ATOM 1218 O ARG A 80 4.747 -16.294 7.157 1.00 0.00 O ATOM 1219 CB ARG A 80 1.437 -16.536 6.662 1.00 0.00 C ATOM 1220 CG ARG A 80 1.243 -15.678 7.901 1.00 0.00 C ATOM 1221 CD ARG A 80 -0.154 -15.841 8.479 1.00 0.00 C ATOM 1222 NE ARG A 80 -0.224 -16.938 9.440 1.00 0.00 N ATOM 1223 CZ ARG A 80 0.148 -16.827 10.710 1.00 0.00 C ATOM 1224 NH1 ARG A 80 0.613 -15.674 11.170 1.00 0.00 N ATOM 1225 NH2 ARG A 80 0.054 -17.871 11.524 1.00 0.00 N ATOM 0 H ARG A 80 1.659 -17.001 4.254 1.00 0.00 H new ATOM 0 HA ARG A 80 2.891 -15.135 5.925 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.578 -16.408 6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.459 -17.585 6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.983 -15.951 8.653 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.414 -14.631 7.650 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.456 -14.913 8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.862 -16.022 7.670 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.578 -17.839 9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.686 -14.869 10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.898 -15.592 12.146 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.304 -18.760 11.174 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.340 -17.785 12.499 1.00 0.00 H new ATOM 1239 N GLU A 81 3.966 -18.238 6.337 1.00 0.00 N ATOM 1240 CA GLU A 81 5.053 -19.035 6.893 1.00 0.00 C ATOM 1241 C GLU A 81 6.408 -18.428 6.541 1.00 0.00 C ATOM 1242 O GLU A 81 7.271 -18.269 7.404 1.00 0.00 O ATOM 1243 CB GLU A 81 4.977 -20.473 6.376 1.00 0.00 C ATOM 1244 CG GLU A 81 5.022 -20.579 4.861 1.00 0.00 C ATOM 1245 CD GLU A 81 4.857 -22.004 4.370 1.00 0.00 C ATOM 1246 OE1 GLU A 81 5.876 -22.717 4.264 1.00 0.00 O ATOM 1247 OE2 GLU A 81 3.708 -22.405 4.092 1.00 0.00 O ATOM 0 H GLU A 81 3.277 -18.774 5.810 1.00 0.00 H new ATOM 0 HA GLU A 81 4.947 -19.040 7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.804 -21.045 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.056 -20.931 6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.235 -19.958 4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.971 -20.182 4.501 1.00 0.00 H new ATOM 1254 N GLU A 82 6.586 -18.090 5.267 1.00 0.00 N ATOM 1255 CA GLU A 82 7.836 -17.502 4.802 1.00 0.00 C ATOM 1256 C GLU A 82 7.953 -16.048 5.249 1.00 0.00 C ATOM 1257 O GLU A 82 8.747 -15.718 6.130 1.00 0.00 O ATOM 1258 CB GLU A 82 7.929 -17.587 3.277 1.00 0.00 C ATOM 1259 CG GLU A 82 9.271 -17.141 2.722 1.00 0.00 C ATOM 1260 CD GLU A 82 9.556 -17.717 1.349 1.00 0.00 C ATOM 1261 OE1 GLU A 82 8.665 -17.642 0.477 1.00 0.00 O ATOM 1262 OE2 GLU A 82 10.670 -18.243 1.147 1.00 0.00 O ATOM 0 H GLU A 82 5.881 -18.213 4.540 1.00 0.00 H new ATOM 0 HA GLU A 82 8.659 -18.066 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.741 -18.615 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.142 -16.973 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.293 -16.053 2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.062 -17.442 3.409 1.00 0.00 H new ATOM 1269 N THR A 83 7.155 -15.180 4.634 1.00 0.00 N ATOM 1270 CA THR A 83 7.169 -13.761 4.966 1.00 0.00 C ATOM 1271 C THR A 83 5.996 -13.396 5.869 1.00 0.00 C ATOM 1272 O THR A 83 4.842 -13.356 5.442 1.00 0.00 O ATOM 1273 CB THR A 83 7.118 -12.887 3.699 1.00 0.00 C ATOM 1274 OG1 THR A 83 6.000 -13.265 2.887 1.00 0.00 O ATOM 1275 CG2 THR A 83 8.403 -13.022 2.896 1.00 0.00 C ATOM 0 H THR A 83 6.491 -15.436 3.903 1.00 0.00 H new ATOM 0 HA THR A 83 8.103 -13.569 5.493 1.00 0.00 H new ATOM 0 HB THR A 83 7.008 -11.847 4.006 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.761 -12.523 2.294 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.343 -12.396 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.249 -12.705 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.539 -14.062 2.599 1.00 0.00 H new ATOM 1283 N PRO A 84 6.295 -13.122 7.147 1.00 0.00 N ATOM 1284 CA PRO A 84 5.278 -12.754 8.137 1.00 0.00 C ATOM 1285 C PRO A 84 4.689 -11.372 7.876 1.00 0.00 C ATOM 1286 O PRO A 84 3.542 -11.098 8.230 1.00 0.00 O ATOM 1287 CB PRO A 84 6.049 -12.766 9.459 1.00 0.00 C ATOM 1288 CG PRO A 84 7.466 -12.512 9.074 1.00 0.00 C ATOM 1289 CD PRO A 84 7.649 -13.150 7.725 1.00 0.00 C ATOM 0 HA PRO A 84 4.426 -13.434 8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.680 -11.998 10.139 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.943 -13.723 9.970 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.673 -11.443 9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.152 -12.941 9.805 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.359 -12.596 7.111 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.028 -14.168 7.810 1.00 0.00 H new ATOM 1297 N PHE A 85 5.481 -10.504 7.255 1.00 0.00 N ATOM 1298 CA PHE A 85 5.038 -9.149 6.948 1.00 0.00 C ATOM 1299 C PHE A 85 5.942 -8.506 5.901 1.00 0.00 C ATOM 1300 O PHE A 85 7.114 -8.862 5.773 1.00 0.00 O ATOM 1301 CB PHE A 85 5.021 -8.295 8.217 1.00 0.00 C ATOM 1302 CG PHE A 85 6.373 -8.136 8.851 1.00 0.00 C ATOM 1303 CD1 PHE A 85 6.887 -9.124 9.676 1.00 0.00 C ATOM 1304 CD2 PHE A 85 7.130 -6.998 8.622 1.00 0.00 C ATOM 1305 CE1 PHE A 85 8.131 -8.979 10.261 1.00 0.00 C ATOM 1306 CE2 PHE A 85 8.375 -6.848 9.204 1.00 0.00 C ATOM 1307 CZ PHE A 85 8.876 -7.840 10.024 1.00 0.00 C ATOM 0 H PHE A 85 6.433 -10.715 6.955 1.00 0.00 H new ATOM 0 HA PHE A 85 4.027 -9.207 6.544 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.623 -7.309 7.976 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.341 -8.746 8.939 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.309 -10.017 9.864 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.743 -6.219 7.981 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.520 -9.756 10.903 1.00 0.00 H new ATOM 0 HE2 PHE A 85 8.955 -5.956 9.018 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.849 -7.725 10.479 1.00 0.00 H new ATOM 1317 N PHE A 86 5.389 -7.556 5.153 1.00 0.00 N ATOM 1318 CA PHE A 86 6.144 -6.863 4.116 1.00 0.00 C ATOM 1319 C PHE A 86 6.247 -5.372 4.423 1.00 0.00 C ATOM 1320 O PHE A 86 5.496 -4.561 3.878 1.00 0.00 O ATOM 1321 CB PHE A 86 5.484 -7.070 2.751 1.00 0.00 C ATOM 1322 CG PHE A 86 5.872 -8.361 2.088 1.00 0.00 C ATOM 1323 CD1 PHE A 86 7.151 -8.541 1.586 1.00 0.00 C ATOM 1324 CD2 PHE A 86 4.957 -9.394 1.966 1.00 0.00 C ATOM 1325 CE1 PHE A 86 7.511 -9.727 0.975 1.00 0.00 C ATOM 1326 CE2 PHE A 86 5.311 -10.583 1.356 1.00 0.00 C ATOM 1327 CZ PHE A 86 6.589 -10.749 0.859 1.00 0.00 C ATOM 0 H PHE A 86 4.421 -7.249 5.246 1.00 0.00 H new ATOM 0 HA PHE A 86 7.150 -7.281 4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.401 -7.044 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.752 -6.240 2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.875 -7.745 1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.956 -9.269 2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.511 -9.855 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.589 -11.381 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.867 -11.676 0.380 1.00 0.00 H new ATOM 1337 N LEU A 87 7.181 -5.017 5.298 1.00 0.00 N ATOM 1338 CA LEU A 87 7.384 -3.624 5.678 1.00 0.00 C ATOM 1339 C LEU A 87 7.932 -2.813 4.508 1.00 0.00 C ATOM 1340 O LEU A 87 9.105 -2.932 4.152 1.00 0.00 O ATOM 1341 CB LEU A 87 8.341 -3.533 6.868 1.00 0.00 C ATOM 1342 CG LEU A 87 8.122 -2.355 7.818 1.00 0.00 C ATOM 1343 CD1 LEU A 87 8.355 -1.037 7.095 1.00 0.00 C ATOM 1344 CD2 LEU A 87 6.720 -2.400 8.410 1.00 0.00 C ATOM 0 H LEU A 87 7.810 -5.675 5.758 1.00 0.00 H new ATOM 0 HA LEU A 87 6.418 -3.208 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.263 -4.456 7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.360 -3.481 6.485 1.00 0.00 H new ATOM 0 HG LEU A 87 8.841 -2.432 8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.195 -0.210 7.786 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.378 -1.004 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.659 -0.952 6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.582 -1.554 9.084 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.984 -2.348 7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.588 -3.330 8.964 1.00 0.00 H new ATOM 1356 N LEU A 88 7.076 -1.989 3.914 1.00 0.00 N ATOM 1357 CA LEU A 88 7.475 -1.156 2.785 1.00 0.00 C ATOM 1358 C LEU A 88 7.384 0.324 3.140 1.00 0.00 C ATOM 1359 O LEU A 88 6.841 0.692 4.183 1.00 0.00 O ATOM 1360 CB LEU A 88 6.595 -1.455 1.570 1.00 0.00 C ATOM 1361 CG LEU A 88 6.454 -2.930 1.189 1.00 0.00 C ATOM 1362 CD1 LEU A 88 5.387 -3.106 0.120 1.00 0.00 C ATOM 1363 CD2 LEU A 88 7.788 -3.487 0.712 1.00 0.00 C ATOM 0 H LEU A 88 6.102 -1.880 4.195 1.00 0.00 H new ATOM 0 HA LEU A 88 8.512 -1.389 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.600 -1.053 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.999 -0.916 0.713 1.00 0.00 H new ATOM 0 HG LEU A 88 6.146 -3.487 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.301 -4.162 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.430 -2.746 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.664 -2.537 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.669 -4.537 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.125 -2.927 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.526 -3.396 1.509 1.00 0.00 H new ATOM 1375 N THR A 89 7.917 1.172 2.266 1.00 0.00 N ATOM 1376 CA THR A 89 7.895 2.612 2.487 1.00 0.00 C ATOM 1377 C THR A 89 7.962 3.372 1.167 1.00 0.00 C ATOM 1378 O THR A 89 8.715 3.005 0.266 1.00 0.00 O ATOM 1379 CB THR A 89 9.064 3.061 3.384 1.00 0.00 C ATOM 1380 OG1 THR A 89 8.978 2.415 4.660 1.00 0.00 O ATOM 1381 CG2 THR A 89 9.053 4.570 3.573 1.00 0.00 C ATOM 0 H THR A 89 8.369 0.886 1.398 1.00 0.00 H new ATOM 0 HA THR A 89 6.954 2.840 2.988 1.00 0.00 H new ATOM 0 HB THR A 89 9.997 2.779 2.896 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.044 2.400 4.957 1.00 0.00 H new ATOM 0 HG21 THR A 89 9.888 4.863 4.210 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.147 5.059 2.603 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.116 4.871 4.041 1.00 0.00 H new ATOM 1389 N GLY A 90 7.170 4.435 1.060 1.00 0.00 N ATOM 1390 CA GLY A 90 7.156 5.230 -0.154 1.00 0.00 C ATOM 1391 C GLY A 90 8.057 6.446 -0.061 1.00 0.00 C ATOM 1392 O GLY A 90 8.189 7.049 1.004 1.00 0.00 O ATOM 0 H GLY A 90 6.538 4.759 1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.472 4.611 -0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.136 5.553 -0.362 1.00 0.00 H new ATOM 1396 N TYR A 91 8.678 6.807 -1.178 1.00 0.00 N ATOM 1397 CA TYR A 91 9.574 7.956 -1.218 1.00 0.00 C ATOM 1398 C TYR A 91 9.164 8.929 -2.320 1.00 0.00 C ATOM 1399 O TYR A 91 8.593 8.530 -3.334 1.00 0.00 O ATOM 1400 CB TYR A 91 11.016 7.498 -1.437 1.00 0.00 C ATOM 1401 CG TYR A 91 11.642 6.862 -0.216 1.00 0.00 C ATOM 1402 CD1 TYR A 91 11.919 7.615 0.919 1.00 0.00 C ATOM 1403 CD2 TYR A 91 11.956 5.509 -0.197 1.00 0.00 C ATOM 1404 CE1 TYR A 91 12.491 7.038 2.036 1.00 0.00 C ATOM 1405 CE2 TYR A 91 12.527 4.924 0.917 1.00 0.00 C ATOM 1406 CZ TYR A 91 12.792 5.693 2.031 1.00 0.00 C ATOM 1407 OH TYR A 91 13.362 5.114 3.142 1.00 0.00 O ATOM 0 H TYR A 91 8.577 6.320 -2.069 1.00 0.00 H new ATOM 0 HA TYR A 91 9.505 8.471 -0.260 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.041 6.785 -2.261 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.618 8.355 -1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.683 8.669 0.928 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.750 4.904 -1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 91 12.701 7.638 2.909 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.765 3.870 0.915 1.00 0.00 H new ATOM 0 HH TYR A 91 13.509 4.160 2.974 1.00 0.00 H new ATOM 1417 N ALA A 92 9.462 10.207 -2.112 1.00 0.00 N ATOM 1418 CA ALA A 92 9.128 11.237 -3.088 1.00 0.00 C ATOM 1419 C ALA A 92 10.383 11.934 -3.602 1.00 0.00 C ATOM 1420 O ALA A 92 10.748 13.010 -3.125 1.00 0.00 O ATOM 1421 CB ALA A 92 8.171 12.251 -2.478 1.00 0.00 C ATOM 0 H ALA A 92 9.934 10.554 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 92 8.639 10.756 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.930 13.014 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.257 11.746 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.640 12.719 -1.613 1.00 0.00 H new ATOM 1427 N LEU A 93 11.040 11.315 -4.576 1.00 0.00 N ATOM 1428 CA LEU A 93 12.257 11.876 -5.155 1.00 0.00 C ATOM 1429 C LEU A 93 11.950 13.146 -5.941 1.00 0.00 C ATOM 1430 O LEU A 93 10.823 13.353 -6.392 1.00 0.00 O ATOM 1431 CB LEU A 93 12.932 10.849 -6.066 1.00 0.00 C ATOM 1432 CG LEU A 93 13.068 9.436 -5.499 1.00 0.00 C ATOM 1433 CD1 LEU A 93 13.733 8.517 -6.512 1.00 0.00 C ATOM 1434 CD2 LEU A 93 13.856 9.457 -4.197 1.00 0.00 C ATOM 0 H LEU A 93 10.751 10.425 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 93 12.935 12.130 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.368 10.793 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.927 11.215 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 93 12.070 9.051 -5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.822 7.515 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.129 8.478 -7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.725 8.898 -6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.943 8.443 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 93 14.851 9.862 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.339 10.082 -3.469 1.00 0.00 H new ATOM 1446 N ASP A 94 12.960 13.994 -6.103 1.00 0.00 N ATOM 1447 CA ASP A 94 12.799 15.243 -6.838 1.00 0.00 C ATOM 1448 C ASP A 94 13.795 15.328 -7.991 1.00 0.00 C ATOM 1449 O ASP A 94 13.415 15.249 -9.159 1.00 0.00 O ATOM 1450 CB ASP A 94 12.982 16.438 -5.901 1.00 0.00 C ATOM 1451 CG ASP A 94 12.509 17.738 -6.521 1.00 0.00 C ATOM 1452 OD1 ASP A 94 11.489 17.715 -7.241 1.00 0.00 O ATOM 1453 OD2 ASP A 94 13.158 18.778 -6.285 1.00 0.00 O ATOM 0 H ASP A 94 13.899 13.839 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 94 11.790 15.265 -7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.433 16.259 -4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.035 16.528 -5.634 1.00 0.00 H new ATOM 1458 N ALA A 95 15.070 15.489 -7.653 1.00 0.00 N ATOM 1459 CA ALA A 95 16.120 15.583 -8.660 1.00 0.00 C ATOM 1460 C ALA A 95 17.287 14.661 -8.324 1.00 0.00 C ATOM 1461 O ALA A 95 17.574 13.715 -9.057 1.00 0.00 O ATOM 1462 CB ALA A 95 16.601 17.021 -8.788 1.00 0.00 C ATOM 0 H ALA A 95 15.401 15.557 -6.690 1.00 0.00 H new ATOM 0 HA ALA A 95 15.703 15.264 -9.615 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.385 17.077 -9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 95 15.767 17.659 -9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 95 16.996 17.359 -7.830 1.00 0.00 H new ATOM 1468 N ARG A 96 17.957 14.944 -7.211 1.00 0.00 N ATOM 1469 CA ARG A 96 19.094 14.140 -6.779 1.00 0.00 C ATOM 1470 C ARG A 96 18.658 12.718 -6.441 1.00 0.00 C ATOM 1471 O ARG A 96 19.383 11.757 -6.695 1.00 0.00 O ATOM 1472 CB ARG A 96 19.767 14.781 -5.564 1.00 0.00 C ATOM 1473 CG ARG A 96 20.688 15.938 -5.918 1.00 0.00 C ATOM 1474 CD ARG A 96 22.018 15.444 -6.465 1.00 0.00 C ATOM 1475 NE ARG A 96 22.655 16.434 -7.330 1.00 0.00 N ATOM 1476 CZ ARG A 96 23.338 17.477 -6.874 1.00 0.00 C ATOM 1477 NH1 ARG A 96 23.473 17.667 -5.569 1.00 0.00 N ATOM 1478 NH2 ARG A 96 23.890 18.334 -7.724 1.00 0.00 N ATOM 0 H ARG A 96 17.732 15.723 -6.593 1.00 0.00 H new ATOM 0 HA ARG A 96 19.809 14.096 -7.601 1.00 0.00 H new ATOM 0 HB2 ARG A 96 18.998 15.137 -4.879 1.00 0.00 H new ATOM 0 HB3 ARG A 96 20.340 14.021 -5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 96 20.204 16.577 -6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 96 20.862 16.550 -5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 96 22.684 15.204 -5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 96 21.860 14.522 -7.024 1.00 0.00 H new ATOM 0 HE ARG A 96 22.570 16.317 -8.340 1.00 0.00 H new ATOM 0 HH11 ARG A 96 23.051 17.011 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 96 23.998 18.469 -5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 96 23.790 18.192 -8.729 1.00 0.00 H new ATOM 0 HH22 ARG A 96 24.414 19.135 -7.372 1.00 0.00 H new ATOM 1492 N GLY A 97 17.467 12.591 -5.863 1.00 0.00 N ATOM 1493 CA GLY A 97 16.954 11.283 -5.498 1.00 0.00 C ATOM 1494 C GLY A 97 16.989 11.044 -4.002 1.00 0.00 C ATOM 1495 O GLY A 97 17.158 9.912 -3.552 1.00 0.00 O ATOM 0 H GLY A 97 16.848 13.371 -5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.929 11.186 -5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.540 10.513 -6.000 1.00 0.00 H new ATOM 1499 N ASN A 98 16.830 12.114 -3.229 1.00 0.00 N ATOM 1500 CA ASN A 98 16.846 12.015 -1.774 1.00 0.00 C ATOM 1501 C ASN A 98 15.521 12.484 -1.182 1.00 0.00 C ATOM 1502 O ASN A 98 15.097 13.618 -1.404 1.00 0.00 O ATOM 1503 CB ASN A 98 17.997 12.843 -1.199 1.00 0.00 C ATOM 1504 CG ASN A 98 18.048 14.243 -1.779 1.00 0.00 C ATOM 1505 OD1 ASN A 98 17.094 15.012 -1.659 1.00 0.00 O ATOM 1506 ND2 ASN A 98 19.165 14.580 -2.413 1.00 0.00 N ATOM 0 H ASN A 98 16.689 13.059 -3.586 1.00 0.00 H new ATOM 0 HA ASN A 98 16.992 10.968 -1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 98 17.891 12.905 -0.116 1.00 0.00 H new ATOM 0 HB3 ASN A 98 18.941 12.336 -1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 98 19.257 15.509 -2.825 1.00 0.00 H new ATOM 0 HD22 ASN A 98 19.931 13.910 -2.488 1.00 0.00 H new ATOM 1513 N ASN A 99 14.872 11.604 -0.427 1.00 0.00 N ATOM 1514 CA ASN A 99 13.594 11.929 0.198 1.00 0.00 C ATOM 1515 C ASN A 99 13.561 13.388 0.642 1.00 0.00 C ATOM 1516 O ASN A 99 14.214 13.768 1.613 1.00 0.00 O ATOM 1517 CB ASN A 99 13.342 11.013 1.397 1.00 0.00 C ATOM 1518 CG ASN A 99 14.449 11.097 2.431 1.00 0.00 C ATOM 1519 OD1 ASN A 99 14.403 11.925 3.341 1.00 0.00 O ATOM 1520 ND2 ASN A 99 15.452 10.237 2.295 1.00 0.00 N ATOM 0 H ASN A 99 15.209 10.661 -0.233 1.00 0.00 H new ATOM 0 HA ASN A 99 12.807 11.775 -0.540 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.393 11.280 1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.249 9.984 1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 99 16.225 10.246 2.960 1.00 0.00 H new ATOM 0 HD22 ASN A 99 15.449 9.568 1.525 1.00 0.00 H new ATOM 1527 N VAL A 100 12.793 14.202 -0.077 1.00 0.00 N ATOM 1528 CA VAL A 100 12.673 15.619 0.244 1.00 0.00 C ATOM 1529 C VAL A 100 11.400 15.897 1.035 1.00 0.00 C ATOM 1530 O VAL A 100 11.309 16.892 1.753 1.00 0.00 O ATOM 1531 CB VAL A 100 12.671 16.484 -1.031 1.00 0.00 C ATOM 1532 CG1 VAL A 100 13.991 16.343 -1.774 1.00 0.00 C ATOM 1533 CG2 VAL A 100 11.501 16.108 -1.928 1.00 0.00 C ATOM 0 H VAL A 100 12.246 13.904 -0.884 1.00 0.00 H new ATOM 0 HA VAL A 100 13.539 15.881 0.851 1.00 0.00 H new ATOM 0 HB VAL A 100 12.555 17.528 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 100 13.971 16.961 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.808 16.666 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 100 14.141 15.300 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.515 16.729 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 100 11.583 15.059 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.566 16.267 -1.391 1.00 0.00 H new ATOM 1543 N GLU A 101 10.419 15.010 0.899 1.00 0.00 N ATOM 1544 CA GLU A 101 9.150 15.160 1.602 1.00 0.00 C ATOM 1545 C GLU A 101 8.917 13.995 2.559 1.00 0.00 C ATOM 1546 O GLU A 101 9.407 12.887 2.339 1.00 0.00 O ATOM 1547 CB GLU A 101 7.996 15.253 0.602 1.00 0.00 C ATOM 1548 CG GLU A 101 7.810 16.641 0.014 1.00 0.00 C ATOM 1549 CD GLU A 101 7.095 16.617 -1.323 1.00 0.00 C ATOM 1550 OE1 GLU A 101 7.532 15.862 -2.216 1.00 0.00 O ATOM 1551 OE2 GLU A 101 6.099 17.355 -1.476 1.00 0.00 O ATOM 0 H GLU A 101 10.479 14.180 0.309 1.00 0.00 H new ATOM 0 HA GLU A 101 9.192 16.081 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.171 14.545 -0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.073 14.950 1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.243 17.255 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.785 17.114 -0.108 1.00 0.00 H new ATOM 1558 N LYS A 102 8.165 14.253 3.624 1.00 0.00 N ATOM 1559 CA LYS A 102 7.864 13.227 4.616 1.00 0.00 C ATOM 1560 C LYS A 102 7.333 11.963 3.947 1.00 0.00 C ATOM 1561 O LYS A 102 6.200 11.915 3.468 1.00 0.00 O ATOM 1562 CB LYS A 102 6.842 13.751 5.627 1.00 0.00 C ATOM 1563 CG LYS A 102 6.752 12.913 6.890 1.00 0.00 C ATOM 1564 CD LYS A 102 5.827 11.722 6.705 1.00 0.00 C ATOM 1565 CE LYS A 102 5.578 11.000 8.021 1.00 0.00 C ATOM 1566 NZ LYS A 102 4.416 11.572 8.756 1.00 0.00 N ATOM 0 H LYS A 102 7.753 15.165 3.822 1.00 0.00 H new ATOM 0 HA LYS A 102 8.788 12.979 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.103 14.774 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.861 13.787 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.746 12.563 7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.391 13.531 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.878 12.058 6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.263 11.029 5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.400 9.942 7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.470 11.064 8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.279 11.053 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.596 12.575 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.560 11.488 8.171 1.00 0.00 H new ATOM 1580 N PRO A 103 8.168 10.914 3.915 1.00 0.00 N ATOM 1581 CA PRO A 103 7.803 9.630 3.310 1.00 0.00 C ATOM 1582 C PRO A 103 6.745 8.888 4.119 1.00 0.00 C ATOM 1583 O PRO A 103 6.888 8.707 5.329 1.00 0.00 O ATOM 1584 CB PRO A 103 9.120 8.851 3.309 1.00 0.00 C ATOM 1585 CG PRO A 103 9.913 9.447 4.421 1.00 0.00 C ATOM 1586 CD PRO A 103 9.533 10.901 4.467 1.00 0.00 C ATOM 0 HA PRO A 103 7.366 9.756 2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.950 7.786 3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.638 8.951 2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.689 8.955 5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.982 9.328 4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.559 11.291 5.484 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.212 11.513 3.874 1.00 0.00 H new ATOM 1594 N LEU A 104 5.684 8.459 3.445 1.00 0.00 N ATOM 1595 CA LEU A 104 4.601 7.735 4.102 1.00 0.00 C ATOM 1596 C LEU A 104 5.050 6.334 4.507 1.00 0.00 C ATOM 1597 O LEU A 104 6.075 5.842 4.038 1.00 0.00 O ATOM 1598 CB LEU A 104 3.386 7.646 3.178 1.00 0.00 C ATOM 1599 CG LEU A 104 3.627 7.004 1.812 1.00 0.00 C ATOM 1600 CD1 LEU A 104 3.399 5.501 1.881 1.00 0.00 C ATOM 1601 CD2 LEU A 104 2.726 7.634 0.759 1.00 0.00 C ATOM 0 H LEU A 104 5.550 8.600 2.444 1.00 0.00 H new ATOM 0 HA LEU A 104 4.325 8.283 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.606 7.082 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.000 8.653 3.021 1.00 0.00 H new ATOM 0 HG LEU A 104 4.664 7.181 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.575 5.061 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.086 5.062 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.372 5.302 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.912 7.164 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.683 7.488 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.938 8.701 0.690 1.00 0.00 H new ATOM 1613 N GLU A 105 4.273 5.698 5.378 1.00 0.00 N ATOM 1614 CA GLU A 105 4.590 4.353 5.844 1.00 0.00 C ATOM 1615 C GLU A 105 3.535 3.353 5.380 1.00 0.00 C ATOM 1616 O GLU A 105 2.361 3.461 5.738 1.00 0.00 O ATOM 1617 CB GLU A 105 4.695 4.329 7.370 1.00 0.00 C ATOM 1618 CG GLU A 105 4.947 2.944 7.942 1.00 0.00 C ATOM 1619 CD GLU A 105 6.421 2.592 7.987 1.00 0.00 C ATOM 1620 OE1 GLU A 105 7.108 3.031 8.932 1.00 0.00 O ATOM 1621 OE2 GLU A 105 6.888 1.876 7.076 1.00 0.00 O ATOM 0 H GLU A 105 3.420 6.092 5.775 1.00 0.00 H new ATOM 0 HA GLU A 105 5.551 4.066 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.502 4.993 7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.773 4.726 7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.533 2.890 8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.419 2.205 7.340 1.00 0.00 H new ATOM 1628 N LEU A 106 3.961 2.382 4.580 1.00 0.00 N ATOM 1629 CA LEU A 106 3.054 1.362 4.065 1.00 0.00 C ATOM 1630 C LEU A 106 3.344 0.005 4.699 1.00 0.00 C ATOM 1631 O LEU A 106 4.465 -0.498 4.625 1.00 0.00 O ATOM 1632 CB LEU A 106 3.175 1.264 2.544 1.00 0.00 C ATOM 1633 CG LEU A 106 2.351 0.164 1.874 1.00 0.00 C ATOM 1634 CD1 LEU A 106 0.864 0.448 2.018 1.00 0.00 C ATOM 1635 CD2 LEU A 106 2.730 0.032 0.406 1.00 0.00 C ATOM 0 H LEU A 106 4.929 2.279 4.274 1.00 0.00 H new ATOM 0 HA LEU A 106 2.036 1.653 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.883 2.222 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.224 1.108 2.292 1.00 0.00 H new ATOM 0 HG LEU A 106 2.570 -0.781 2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.294 -0.345 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.603 0.491 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.629 1.402 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.133 -0.756 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.541 0.976 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.788 -0.219 0.324 1.00 0.00 H new ATOM 1647 N ARG A 107 2.326 -0.583 5.319 1.00 0.00 N ATOM 1648 CA ARG A 107 2.472 -1.882 5.964 1.00 0.00 C ATOM 1649 C ARG A 107 1.481 -2.889 5.388 1.00 0.00 C ATOM 1650 O ARG A 107 0.320 -2.560 5.140 1.00 0.00 O ATOM 1651 CB ARG A 107 2.264 -1.752 7.474 1.00 0.00 C ATOM 1652 CG ARG A 107 3.228 -0.783 8.140 1.00 0.00 C ATOM 1653 CD ARG A 107 2.615 -0.151 9.380 1.00 0.00 C ATOM 1654 NE ARG A 107 2.395 -1.130 10.441 1.00 0.00 N ATOM 1655 CZ ARG A 107 1.598 -0.918 11.483 1.00 0.00 C ATOM 1656 NH1 ARG A 107 0.949 0.232 11.602 1.00 0.00 N ATOM 1657 NH2 ARG A 107 1.450 -1.857 12.408 1.00 0.00 N ATOM 0 H ARG A 107 1.391 -0.180 5.388 1.00 0.00 H new ATOM 0 HA ARG A 107 3.483 -2.243 5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.242 -1.424 7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.374 -2.734 7.933 1.00 0.00 H new ATOM 0 HG2 ARG A 107 4.143 -1.308 8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 107 3.507 -0.002 7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.271 0.639 9.746 1.00 0.00 H new ATOM 0 HD3 ARG A 107 1.667 0.318 9.117 1.00 0.00 H new ATOM 0 HE ARG A 107 2.880 -2.025 10.379 1.00 0.00 H new ATOM 0 HH11 ARG A 107 1.061 0.956 10.893 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.338 0.392 12.403 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.948 -2.743 12.320 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.838 -1.693 13.207 1.00 0.00 H new ATOM 1671 N ILE A 108 1.946 -4.116 5.178 1.00 0.00 N ATOM 1672 CA ILE A 108 1.101 -5.170 4.633 1.00 0.00 C ATOM 1673 C ILE A 108 1.130 -6.412 5.518 1.00 0.00 C ATOM 1674 O ILE A 108 1.876 -7.357 5.257 1.00 0.00 O ATOM 1675 CB ILE A 108 1.535 -5.559 3.207 1.00 0.00 C ATOM 1676 CG1 ILE A 108 1.406 -4.360 2.266 1.00 0.00 C ATOM 1677 CG2 ILE A 108 0.704 -6.728 2.701 1.00 0.00 C ATOM 1678 CD1 ILE A 108 2.008 -4.597 0.899 1.00 0.00 C ATOM 0 H ILE A 108 2.904 -4.404 5.377 1.00 0.00 H new ATOM 0 HA ILE A 108 0.086 -4.774 4.600 1.00 0.00 H new ATOM 0 HB ILE A 108 2.581 -5.866 3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.351 -4.110 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.890 -3.497 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.022 -6.991 1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.842 -7.585 3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.349 -6.447 2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.880 -3.705 0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.071 -4.817 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.508 -5.440 0.422 1.00 0.00 H new ATOM 1690 N LYS A 109 0.313 -6.405 6.565 1.00 0.00 N ATOM 1691 CA LYS A 109 0.242 -7.531 7.489 1.00 0.00 C ATOM 1692 C LYS A 109 -0.399 -8.743 6.820 1.00 0.00 C ATOM 1693 O LYS A 109 -1.577 -8.718 6.465 1.00 0.00 O ATOM 1694 CB LYS A 109 -0.554 -7.144 8.737 1.00 0.00 C ATOM 1695 CG LYS A 109 -0.242 -8.005 9.949 1.00 0.00 C ATOM 1696 CD LYS A 109 -1.216 -7.742 11.085 1.00 0.00 C ATOM 1697 CE LYS A 109 -2.549 -8.436 10.849 1.00 0.00 C ATOM 1698 NZ LYS A 109 -3.595 -7.965 11.798 1.00 0.00 N ATOM 0 H LYS A 109 -0.310 -5.631 6.795 1.00 0.00 H new ATOM 0 HA LYS A 109 1.259 -7.794 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.349 -6.101 8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.619 -7.216 8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.284 -9.058 9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.775 -7.805 10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.785 -8.090 12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.376 -6.669 11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.878 -8.253 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.421 -9.513 10.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.488 -8.462 11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.293 -8.163 12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.735 -6.941 11.680 1.00 0.00 H new ATOM 1712 N VAL A 110 0.385 -9.803 6.652 1.00 0.00 N ATOM 1713 CA VAL A 110 -0.106 -11.026 6.028 1.00 0.00 C ATOM 1714 C VAL A 110 -1.055 -11.774 6.958 1.00 0.00 C ATOM 1715 O VAL A 110 -0.677 -12.170 8.061 1.00 0.00 O ATOM 1716 CB VAL A 110 1.053 -11.961 5.635 1.00 0.00 C ATOM 1717 CG1 VAL A 110 0.521 -13.223 4.973 1.00 0.00 C ATOM 1718 CG2 VAL A 110 2.031 -11.241 4.720 1.00 0.00 C ATOM 0 H VAL A 110 1.363 -9.840 6.939 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.643 -10.728 5.128 1.00 0.00 H new ATOM 0 HB VAL A 110 1.585 -12.252 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 110 1.355 -13.871 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.137 -13.748 5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.037 -12.956 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.843 -11.916 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.514 -10.919 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 110 2.438 -10.371 5.235 1.00 0.00 H new ATOM 1728 N LEU A 111 -2.290 -11.965 6.505 1.00 0.00 N ATOM 1729 CA LEU A 111 -3.295 -12.667 7.297 1.00 0.00 C ATOM 1730 C LEU A 111 -3.349 -14.144 6.921 1.00 0.00 C ATOM 1731 O LEU A 111 -2.759 -14.564 5.926 1.00 0.00 O ATOM 1732 CB LEU A 111 -4.669 -12.027 7.095 1.00 0.00 C ATOM 1733 CG LEU A 111 -4.763 -10.530 7.392 1.00 0.00 C ATOM 1734 CD1 LEU A 111 -6.150 -10.005 7.055 1.00 0.00 C ATOM 1735 CD2 LEU A 111 -4.425 -10.253 8.849 1.00 0.00 C ATOM 0 H LEU A 111 -2.619 -11.644 5.594 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.015 -12.588 8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -4.976 -12.192 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -5.387 -12.548 7.728 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.038 -10.009 6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.198 -8.938 7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.354 -10.169 5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.894 -10.531 7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.497 -9.183 9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.125 -10.786 9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.410 -10.592 9.058 1.00 0.00 H new ATOM 1747 N ASP A 112 -4.061 -14.927 7.724 1.00 0.00 N ATOM 1748 CA ASP A 112 -4.196 -16.358 7.474 1.00 0.00 C ATOM 1749 C ASP A 112 -5.356 -16.637 6.524 1.00 0.00 C ATOM 1750 O ASP A 112 -6.261 -15.816 6.376 1.00 0.00 O ATOM 1751 CB ASP A 112 -4.406 -17.109 8.790 1.00 0.00 C ATOM 1752 CG ASP A 112 -4.147 -18.597 8.655 1.00 0.00 C ATOM 1753 OD1 ASP A 112 -4.973 -19.286 8.021 1.00 0.00 O ATOM 1754 OD2 ASP A 112 -3.120 -19.072 9.184 1.00 0.00 O ATOM 0 H ASP A 112 -4.554 -14.595 8.553 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.276 -16.709 7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -3.744 -16.695 9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.427 -16.951 9.136 1.00 0.00 H new ATOM 1759 N ILE A 113 -5.321 -17.800 5.882 1.00 0.00 N ATOM 1760 CA ILE A 113 -6.370 -18.186 4.946 1.00 0.00 C ATOM 1761 C ILE A 113 -7.724 -18.270 5.642 1.00 0.00 C ATOM 1762 O ILE A 113 -8.745 -17.871 5.084 1.00 0.00 O ATOM 1763 CB ILE A 113 -6.061 -19.542 4.284 1.00 0.00 C ATOM 1764 CG1 ILE A 113 -7.149 -19.898 3.269 1.00 0.00 C ATOM 1765 CG2 ILE A 113 -5.936 -20.631 5.339 1.00 0.00 C ATOM 1766 CD1 ILE A 113 -7.049 -19.119 1.977 1.00 0.00 C ATOM 0 H ILE A 113 -4.579 -18.491 5.993 1.00 0.00 H new ATOM 0 HA ILE A 113 -6.407 -17.415 4.177 1.00 0.00 H new ATOM 0 HB ILE A 113 -5.110 -19.464 3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -7.092 -20.964 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -8.126 -19.718 3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.718 -21.583 4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -5.129 -20.380 6.027 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.872 -20.711 5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -7.852 -19.423 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -7.136 -18.053 2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.087 -19.318 1.506 1.00 0.00 H new ATOM 1778 N ASN A 114 -7.724 -18.789 6.865 1.00 0.00 N ATOM 1779 CA ASN A 114 -8.953 -18.924 7.639 1.00 0.00 C ATOM 1780 C ASN A 114 -9.544 -17.555 7.963 1.00 0.00 C ATOM 1781 O ASN A 114 -10.733 -17.315 7.754 1.00 0.00 O ATOM 1782 CB ASN A 114 -8.684 -19.695 8.932 1.00 0.00 C ATOM 1783 CG ASN A 114 -7.922 -20.983 8.689 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -6.692 -20.988 8.628 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -8.650 -22.085 8.549 1.00 0.00 N ATOM 0 H ASN A 114 -6.887 -19.123 7.342 1.00 0.00 H new ATOM 0 HA ASN A 114 -9.673 -19.478 7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -8.117 -19.064 9.617 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.632 -19.923 9.420 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.192 -22.981 8.384 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.667 -22.035 8.607 1.00 0.00 H new ATOM 1792 N ASP A 115 -8.705 -16.661 8.475 1.00 0.00 N ATOM 1793 CA ASP A 115 -9.143 -15.315 8.827 1.00 0.00 C ATOM 1794 C ASP A 115 -9.992 -14.711 7.713 1.00 0.00 C ATOM 1795 O ASP A 115 -9.568 -14.651 6.560 1.00 0.00 O ATOM 1796 CB ASP A 115 -7.936 -14.420 9.108 1.00 0.00 C ATOM 1797 CG ASP A 115 -8.334 -13.072 9.677 1.00 0.00 C ATOM 1798 OD1 ASP A 115 -8.736 -13.023 10.858 1.00 0.00 O ATOM 1799 OD2 ASP A 115 -8.244 -12.067 8.942 1.00 0.00 O ATOM 0 H ASP A 115 -7.718 -16.844 8.656 1.00 0.00 H new ATOM 0 HA ASP A 115 -9.753 -15.382 9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -7.269 -14.924 9.808 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -7.376 -14.270 8.185 1.00 0.00 H new