USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 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 76 ASN : amide:sc= -1.45 K(o=-5.9,f=-6.9) USER MOD Set 1.2: A 77 ASN : amide:sc= -4.47! C(o=-5.9!,f=-13!) USER MOD Set 2.1: A 15 ASN : amide:sc= -5.05! C(o=-11!,f=-15!) USER MOD Set 2.2: A 63 ASN : amide:sc= -5.79! C(o=-11!,f=-13!) USER MOD Set 3.1: A 20 ASN : amide:sc= 0 X(o=-3,f=-3.3) USER MOD Set 3.2: A 85 GLN : amide:sc= -3.02! C(o=-3!,f=-12!) USER MOD Set 4.1: A 19 THR OG1 : rot 135:sc= -2.26! USER MOD Set 4.2: A 88 SER OG : rot 106:sc= 0.725 USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.036) USER MOD Single : A 14 THR OG1 : rot 106:sc= -1.28! USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -36:sc= 0.0858 USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.76! USER MOD Single : A 29 GLN : amide:sc= -1.49! C(o=-1.5!,f=-8.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 7:sc= -2.84! USER MOD Single : A 39 SER OG : rot 180:sc= 0.00902 USER MOD Single : A 42 GLN : amide:sc= -2.92 K(o=-2.9,f=-3.7!) USER MOD Single : A 43 LYS NZ :NH3+ -154:sc= -2.95! (180deg=-3.6!) USER MOD Single : A 44 ASN : amide:sc= 0.0153 K(o=0.015,f=-2.2!) USER MOD Single : A 62 TYR OH : rot -20:sc= 0.234 USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= 0.0101 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 140:sc= -2.81! USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 12 -10.597 -3.359 -10.031 1.00 0.00 N ATOM 160 CA LYS A 12 -10.896 -2.115 -10.794 1.00 0.00 C ATOM 161 C LYS A 12 -9.780 -1.108 -10.526 1.00 0.00 C ATOM 162 O LYS A 12 -8.803 -1.046 -11.245 1.00 0.00 O ATOM 163 CB LYS A 12 -12.244 -1.537 -10.351 1.00 0.00 C ATOM 164 CG LYS A 12 -13.235 -1.615 -11.516 1.00 0.00 C ATOM 165 CD LYS A 12 -14.627 -1.195 -11.037 1.00 0.00 C ATOM 166 CE LYS A 12 -14.782 0.319 -11.176 1.00 0.00 C ATOM 167 NZ LYS A 12 -15.090 0.658 -12.595 1.00 0.00 N ATOM 0 HA LYS A 12 -10.953 -2.335 -11.860 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.627 -2.092 -9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.122 -0.502 -10.031 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.908 -0.966 -12.328 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.267 -2.630 -11.912 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.393 -1.704 -11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.770 -1.491 -9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.580 0.675 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.866 0.820 -10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.727 1.608 -12.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.639 -0.037 -13.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.120 0.640 -12.741 1.00 0.00 H new ATOM 181 N ASP A 13 -9.902 -0.334 -9.485 1.00 0.00 N ATOM 182 CA ASP A 13 -8.829 0.645 -9.166 1.00 0.00 C ATOM 183 C ASP A 13 -8.969 1.095 -7.712 1.00 0.00 C ATOM 184 O ASP A 13 -9.732 1.985 -7.396 1.00 0.00 O ATOM 185 CB ASP A 13 -8.931 1.857 -10.096 1.00 0.00 C ATOM 186 CG ASP A 13 -7.611 2.628 -10.071 1.00 0.00 C ATOM 187 OD1 ASP A 13 -6.783 2.321 -9.228 1.00 0.00 O ATOM 188 OD2 ASP A 13 -7.447 3.513 -10.894 1.00 0.00 O ATOM 0 H ASP A 13 -10.695 -0.337 -8.844 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.857 0.173 -9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.156 1.532 -11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.749 2.504 -9.780 1.00 0.00 H new ATOM 193 N THR A 14 -8.235 0.484 -6.828 1.00 0.00 N ATOM 194 CA THR A 14 -8.317 0.867 -5.393 1.00 0.00 C ATOM 195 C THR A 14 -6.953 0.659 -4.731 1.00 0.00 C ATOM 196 O THR A 14 -6.835 -0.016 -3.730 1.00 0.00 O ATOM 197 CB THR A 14 -9.368 -0.002 -4.696 1.00 0.00 C ATOM 198 OG1 THR A 14 -10.412 -0.298 -5.612 1.00 0.00 O ATOM 199 CG2 THR A 14 -9.943 0.748 -3.495 1.00 0.00 C ATOM 0 H THR A 14 -7.579 -0.268 -7.038 1.00 0.00 H new ATOM 0 HA THR A 14 -8.601 1.916 -5.309 1.00 0.00 H new ATOM 0 HB THR A 14 -8.905 -0.927 -4.354 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.337 -1.231 -5.903 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.690 0.127 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.142 0.979 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.407 1.674 -3.833 1.00 0.00 H new ATOM 207 N ASN A 15 -5.923 1.250 -5.272 1.00 0.00 N ATOM 208 CA ASN A 15 -4.577 1.090 -4.656 1.00 0.00 C ATOM 209 C ASN A 15 -4.497 2.013 -3.445 1.00 0.00 C ATOM 210 O ASN A 15 -5.303 2.908 -3.289 1.00 0.00 O ATOM 211 CB ASN A 15 -3.487 1.476 -5.662 1.00 0.00 C ATOM 212 CG ASN A 15 -3.986 1.237 -7.087 1.00 0.00 C ATOM 213 OD1 ASN A 15 -3.631 1.960 -7.997 1.00 0.00 O ATOM 214 ND2 ASN A 15 -4.798 0.243 -7.324 1.00 0.00 N ATOM 0 H ASN A 15 -5.955 1.833 -6.108 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.426 0.052 -4.359 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.216 2.524 -5.533 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.587 0.889 -5.479 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.134 0.074 -8.272 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.097 -0.365 -6.561 1.00 0.00 H new ATOM 221 N LEU A 16 -3.546 1.814 -2.578 1.00 0.00 N ATOM 222 CA LEU A 16 -3.471 2.704 -1.387 1.00 0.00 C ATOM 223 C LEU A 16 -2.077 3.306 -1.253 1.00 0.00 C ATOM 224 O LEU A 16 -1.074 2.664 -1.504 1.00 0.00 O ATOM 225 CB LEU A 16 -3.838 1.921 -0.126 1.00 0.00 C ATOM 226 CG LEU A 16 -2.669 1.050 0.341 1.00 0.00 C ATOM 227 CD1 LEU A 16 -3.076 0.353 1.635 1.00 0.00 C ATOM 228 CD2 LEU A 16 -2.359 -0.011 -0.715 1.00 0.00 C ATOM 0 H LEU A 16 -2.831 1.089 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.183 3.519 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.119 2.614 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.707 1.293 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.787 1.670 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.255 -0.273 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.310 1.101 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.954 -0.267 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.526 -0.628 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.237 -0.639 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.093 0.476 -1.653 1.00 0.00 H new ATOM 240 N TYR A 17 -2.018 4.549 -0.861 1.00 0.00 N ATOM 241 CA TYR A 17 -0.704 5.229 -0.708 1.00 0.00 C ATOM 242 C TYR A 17 -0.113 4.891 0.659 1.00 0.00 C ATOM 243 O TYR A 17 -0.609 5.315 1.684 1.00 0.00 O ATOM 244 CB TYR A 17 -0.901 6.742 -0.821 1.00 0.00 C ATOM 245 CG TYR A 17 -0.235 7.245 -2.077 1.00 0.00 C ATOM 246 CD1 TYR A 17 1.117 7.612 -2.054 1.00 0.00 C ATOM 247 CD2 TYR A 17 -0.968 7.343 -3.266 1.00 0.00 C ATOM 248 CE1 TYR A 17 1.734 8.077 -3.221 1.00 0.00 C ATOM 249 CE2 TYR A 17 -0.349 7.809 -4.432 1.00 0.00 C ATOM 250 CZ TYR A 17 1.001 8.176 -4.411 1.00 0.00 C ATOM 251 OH TYR A 17 1.610 8.634 -5.561 1.00 0.00 O ATOM 0 H TYR A 17 -2.830 5.125 -0.639 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.024 4.891 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.964 6.980 -0.840 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.479 7.240 0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.682 7.536 -1.137 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.010 7.059 -3.284 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.776 8.360 -3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.914 7.885 -5.349 1.00 0.00 H new ATOM 0 HH TYR A 17 0.961 8.640 -6.295 1.00 0.00 H new ATOM 261 N VAL A 18 0.945 4.130 0.685 1.00 0.00 N ATOM 262 CA VAL A 18 1.568 3.769 1.988 1.00 0.00 C ATOM 263 C VAL A 18 2.526 4.880 2.413 1.00 0.00 C ATOM 264 O VAL A 18 3.502 5.157 1.748 1.00 0.00 O ATOM 265 CB VAL A 18 2.340 2.456 1.848 1.00 0.00 C ATOM 266 CG1 VAL A 18 1.357 1.286 1.789 1.00 0.00 C ATOM 267 CG2 VAL A 18 3.177 2.477 0.568 1.00 0.00 C ATOM 0 H VAL A 18 1.405 3.743 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 18 0.789 3.647 2.740 1.00 0.00 H new ATOM 0 HB VAL A 18 2.999 2.338 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.909 0.352 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.765 1.262 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.695 1.410 0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.724 1.539 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.521 2.601 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.883 3.306 0.609 1.00 0.00 H new ATOM 277 N THR A 19 2.254 5.528 3.513 1.00 0.00 N ATOM 278 CA THR A 19 3.158 6.627 3.961 1.00 0.00 C ATOM 279 C THR A 19 4.235 6.063 4.890 1.00 0.00 C ATOM 280 O THR A 19 4.114 4.971 5.408 1.00 0.00 O ATOM 281 CB THR A 19 2.350 7.692 4.706 1.00 0.00 C ATOM 282 OG1 THR A 19 2.071 7.238 6.022 1.00 0.00 O ATOM 283 CG2 THR A 19 1.036 7.959 3.963 1.00 0.00 C ATOM 0 H THR A 19 1.452 5.347 4.117 1.00 0.00 H new ATOM 0 HA THR A 19 3.631 7.077 3.088 1.00 0.00 H new ATOM 0 HB THR A 19 2.927 8.615 4.755 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.242 7.961 6.661 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.464 8.718 4.497 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.253 8.311 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.455 7.038 3.909 1.00 0.00 H new ATOM 291 N ASN A 20 5.291 6.801 5.102 1.00 0.00 N ATOM 292 CA ASN A 20 6.380 6.311 5.994 1.00 0.00 C ATOM 293 C ASN A 20 6.827 4.920 5.540 1.00 0.00 C ATOM 294 O ASN A 20 6.307 3.915 5.984 1.00 0.00 O ATOM 295 CB ASN A 20 5.874 6.243 7.436 1.00 0.00 C ATOM 296 CG ASN A 20 6.829 7.017 8.346 1.00 0.00 C ATOM 297 OD1 ASN A 20 7.936 6.581 8.596 1.00 0.00 O ATOM 298 ND2 ASN A 20 6.447 8.156 8.854 1.00 0.00 N ATOM 0 H ASN A 20 5.446 7.723 4.695 1.00 0.00 H new ATOM 0 HA ASN A 20 7.225 6.997 5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.871 6.664 7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.806 5.205 7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.077 8.681 9.461 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.518 8.522 8.644 1.00 0.00 H new ATOM 305 N LEU A 21 7.787 4.854 4.660 1.00 0.00 N ATOM 306 CA LEU A 21 8.269 3.529 4.177 1.00 0.00 C ATOM 307 C LEU A 21 9.693 3.674 3.637 1.00 0.00 C ATOM 308 O LEU A 21 9.890 4.058 2.502 1.00 0.00 O ATOM 309 CB LEU A 21 7.350 3.025 3.062 1.00 0.00 C ATOM 310 CG LEU A 21 7.327 1.496 3.073 1.00 0.00 C ATOM 311 CD1 LEU A 21 6.654 1.003 4.355 1.00 0.00 C ATOM 312 CD2 LEU A 21 6.547 0.985 1.860 1.00 0.00 C ATOM 0 H LEU A 21 8.260 5.661 4.254 1.00 0.00 H new ATOM 0 HA LEU A 21 8.262 2.816 5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.342 3.416 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.701 3.387 2.096 1.00 0.00 H new ATOM 0 HG LEU A 21 8.349 1.120 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.638 -0.087 4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.211 1.363 5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.633 1.381 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.532 -0.105 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.525 1.362 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.027 1.333 0.946 1.00 0.00 H new ATOM 324 N PRO A 22 10.642 3.360 4.476 1.00 0.00 N ATOM 325 CA PRO A 22 12.050 3.471 4.039 1.00 0.00 C ATOM 326 C PRO A 22 12.364 2.404 2.987 1.00 0.00 C ATOM 327 O PRO A 22 11.594 1.489 2.770 1.00 0.00 O ATOM 328 CB PRO A 22 12.866 3.229 5.311 1.00 0.00 C ATOM 329 CG PRO A 22 11.951 2.437 6.263 1.00 0.00 C ATOM 330 CD PRO A 22 10.508 2.676 5.785 1.00 0.00 C ATOM 0 HA PRO A 22 12.272 4.436 3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.775 2.670 5.090 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.174 4.173 5.762 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.196 1.375 6.241 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.079 2.773 7.292 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.965 1.736 5.685 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.954 3.290 6.495 1.00 0.00 H new ATOM 338 N ARG A 23 13.489 2.508 2.334 1.00 0.00 N ATOM 339 CA ARG A 23 13.845 1.497 1.300 1.00 0.00 C ATOM 340 C ARG A 23 14.578 0.328 1.959 1.00 0.00 C ATOM 341 O ARG A 23 15.560 -0.170 1.445 1.00 0.00 O ATOM 342 CB ARG A 23 14.752 2.138 0.249 1.00 0.00 C ATOM 343 CG ARG A 23 14.307 1.697 -1.148 1.00 0.00 C ATOM 344 CD ARG A 23 15.505 1.132 -1.911 1.00 0.00 C ATOM 345 NE ARG A 23 15.034 0.101 -2.877 1.00 0.00 N ATOM 346 CZ ARG A 23 15.899 -0.638 -3.514 1.00 0.00 C ATOM 347 NH1 ARG A 23 17.010 -0.993 -2.931 1.00 0.00 N ATOM 348 NH2 ARG A 23 15.653 -1.023 -4.736 1.00 0.00 N ATOM 0 H ARG A 23 14.176 3.249 2.472 1.00 0.00 H new ATOM 0 HA ARG A 23 12.935 1.133 0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 23 14.709 3.224 0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 23 15.788 1.846 0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.524 0.943 -1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.883 2.542 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 23 16.024 1.932 -2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 23 16.220 0.694 -1.215 1.00 0.00 H new ATOM 0 HE ARG A 23 14.035 -0.027 -3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 23 17.203 -0.693 -1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.686 -1.571 -3.430 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.784 -0.746 -5.193 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.330 -1.601 -5.235 1.00 0.00 H new ATOM 362 N THR A 24 14.112 -0.114 3.095 1.00 0.00 N ATOM 363 CA THR A 24 14.785 -1.252 3.785 1.00 0.00 C ATOM 364 C THR A 24 14.348 -2.570 3.142 1.00 0.00 C ATOM 365 O THR A 24 14.925 -3.610 3.386 1.00 0.00 O ATOM 366 CB THR A 24 14.400 -1.252 5.266 1.00 0.00 C ATOM 367 OG1 THR A 24 15.083 -2.308 5.930 1.00 0.00 O ATOM 368 CG2 THR A 24 12.890 -1.452 5.402 1.00 0.00 C ATOM 0 H THR A 24 13.295 0.263 3.575 1.00 0.00 H new ATOM 0 HA THR A 24 15.866 -1.145 3.692 1.00 0.00 H new ATOM 0 HB THR A 24 14.679 -0.299 5.716 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.149 -3.082 5.332 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.617 -1.452 6.457 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.368 -0.642 4.892 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.607 -2.405 4.954 1.00 0.00 H new ATOM 376 N ILE A 25 13.336 -2.535 2.319 1.00 0.00 N ATOM 377 CA ILE A 25 12.869 -3.788 1.658 1.00 0.00 C ATOM 378 C ILE A 25 12.839 -3.583 0.141 1.00 0.00 C ATOM 379 O ILE A 25 13.207 -2.540 -0.362 1.00 0.00 O ATOM 380 CB ILE A 25 11.466 -4.150 2.167 1.00 0.00 C ATOM 381 CG1 ILE A 25 10.406 -3.302 1.452 1.00 0.00 C ATOM 382 CG2 ILE A 25 11.389 -3.895 3.674 1.00 0.00 C ATOM 383 CD1 ILE A 25 10.587 -1.829 1.820 1.00 0.00 C ATOM 0 H ILE A 25 12.812 -1.694 2.075 1.00 0.00 H new ATOM 0 HA ILE A 25 13.553 -4.602 1.897 1.00 0.00 H new ATOM 0 HB ILE A 25 11.276 -5.203 1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.492 -3.430 0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.408 -3.637 1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.393 -4.152 4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.131 -4.509 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.588 -2.842 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.832 -1.231 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.479 -1.707 2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.580 -1.497 1.515 1.00 0.00 H new ATOM 395 N THR A 26 12.408 -4.572 -0.593 1.00 0.00 N ATOM 396 CA THR A 26 12.361 -4.430 -2.073 1.00 0.00 C ATOM 397 C THR A 26 10.905 -4.368 -2.537 1.00 0.00 C ATOM 398 O THR A 26 10.009 -4.878 -1.888 1.00 0.00 O ATOM 399 CB THR A 26 13.060 -5.627 -2.726 1.00 0.00 C ATOM 400 OG1 THR A 26 12.130 -6.689 -2.889 1.00 0.00 O ATOM 401 CG2 THR A 26 14.220 -6.089 -1.843 1.00 0.00 C ATOM 0 H THR A 26 12.087 -5.470 -0.231 1.00 0.00 H new ATOM 0 HA THR A 26 12.871 -3.512 -2.364 1.00 0.00 H new ATOM 0 HB THR A 26 13.447 -5.333 -3.702 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.577 -7.454 -3.308 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.716 -6.940 -2.309 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.934 -5.274 -1.724 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.838 -6.382 -0.865 1.00 0.00 H new ATOM 409 N ASP A 27 10.660 -3.743 -3.656 1.00 0.00 N ATOM 410 CA ASP A 27 9.266 -3.642 -4.167 1.00 0.00 C ATOM 411 C ASP A 27 8.689 -5.047 -4.343 1.00 0.00 C ATOM 412 O ASP A 27 7.586 -5.332 -3.925 1.00 0.00 O ATOM 413 CB ASP A 27 9.271 -2.920 -5.516 1.00 0.00 C ATOM 414 CG ASP A 27 10.153 -3.689 -6.503 1.00 0.00 C ATOM 415 OD1 ASP A 27 11.358 -3.501 -6.460 1.00 0.00 O ATOM 416 OD2 ASP A 27 9.608 -4.450 -7.284 1.00 0.00 O ATOM 0 H ASP A 27 11.368 -3.297 -4.239 1.00 0.00 H new ATOM 0 HA ASP A 27 8.655 -3.083 -3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.255 -2.843 -5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.644 -1.903 -5.395 1.00 0.00 H new ATOM 421 N ASP A 28 9.429 -5.927 -4.958 1.00 0.00 N ATOM 422 CA ASP A 28 8.923 -7.312 -5.161 1.00 0.00 C ATOM 423 C ASP A 28 8.767 -8.001 -3.804 1.00 0.00 C ATOM 424 O ASP A 28 8.067 -8.986 -3.675 1.00 0.00 O ATOM 425 CB ASP A 28 9.919 -8.093 -6.019 1.00 0.00 C ATOM 426 CG ASP A 28 9.226 -8.572 -7.297 1.00 0.00 C ATOM 427 OD1 ASP A 28 8.623 -7.747 -7.965 1.00 0.00 O ATOM 428 OD2 ASP A 28 9.310 -9.754 -7.586 1.00 0.00 O ATOM 0 H ASP A 28 10.362 -5.747 -5.329 1.00 0.00 H new ATOM 0 HA ASP A 28 7.956 -7.279 -5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.772 -7.463 -6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.306 -8.946 -5.461 1.00 0.00 H new ATOM 433 N GLN A 29 9.415 -7.495 -2.790 1.00 0.00 N ATOM 434 CA GLN A 29 9.303 -8.130 -1.448 1.00 0.00 C ATOM 435 C GLN A 29 7.911 -7.878 -0.872 1.00 0.00 C ATOM 436 O GLN A 29 7.252 -8.787 -0.404 1.00 0.00 O ATOM 437 CB GLN A 29 10.357 -7.543 -0.508 1.00 0.00 C ATOM 438 CG GLN A 29 10.780 -8.605 0.508 1.00 0.00 C ATOM 439 CD GLN A 29 11.763 -7.992 1.506 1.00 0.00 C ATOM 440 OE1 GLN A 29 12.292 -6.922 1.276 1.00 0.00 O ATOM 441 NE2 GLN A 29 12.032 -8.627 2.612 1.00 0.00 N ATOM 0 H GLN A 29 10.015 -6.672 -2.833 1.00 0.00 H new ATOM 0 HA GLN A 29 9.465 -9.203 -1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.222 -7.205 -1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.955 -6.671 0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.906 -8.991 1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.243 -9.449 -0.003 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.588 -9.525 2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.686 -8.226 3.284 1.00 0.00 H new ATOM 450 N LEU A 30 7.452 -6.657 -0.896 1.00 0.00 N ATOM 451 CA LEU A 30 6.098 -6.374 -0.344 1.00 0.00 C ATOM 452 C LEU A 30 5.125 -7.434 -0.862 1.00 0.00 C ATOM 453 O LEU A 30 4.132 -7.742 -0.233 1.00 0.00 O ATOM 454 CB LEU A 30 5.630 -4.989 -0.790 1.00 0.00 C ATOM 455 CG LEU A 30 5.533 -4.066 0.427 1.00 0.00 C ATOM 456 CD1 LEU A 30 6.940 -3.670 0.876 1.00 0.00 C ATOM 457 CD2 LEU A 30 4.748 -2.808 0.048 1.00 0.00 C ATOM 0 H LEU A 30 7.951 -5.850 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 30 6.134 -6.399 0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.327 -4.575 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.660 -5.062 -1.282 1.00 0.00 H new ATOM 0 HG LEU A 30 5.023 -4.584 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.874 -3.012 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.503 -4.565 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.448 -3.150 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.677 -2.149 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.261 -2.290 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.746 -3.088 -0.277 1.00 0.00 H new ATOM 469 N ASP A 31 5.410 -8.002 -2.003 1.00 0.00 N ATOM 470 CA ASP A 31 4.511 -9.050 -2.558 1.00 0.00 C ATOM 471 C ASP A 31 4.520 -10.262 -1.626 1.00 0.00 C ATOM 472 O ASP A 31 3.485 -10.756 -1.221 1.00 0.00 O ATOM 473 CB ASP A 31 5.008 -9.469 -3.943 1.00 0.00 C ATOM 474 CG ASP A 31 4.294 -10.750 -4.377 1.00 0.00 C ATOM 475 OD1 ASP A 31 3.134 -10.664 -4.746 1.00 0.00 O ATOM 476 OD2 ASP A 31 4.919 -11.797 -4.331 1.00 0.00 O ATOM 0 H ASP A 31 6.227 -7.784 -2.573 1.00 0.00 H new ATOM 0 HA ASP A 31 3.498 -8.657 -2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.820 -8.674 -4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.086 -9.631 -3.920 1.00 0.00 H new ATOM 481 N THR A 32 5.684 -10.745 -1.281 1.00 0.00 N ATOM 482 CA THR A 32 5.761 -11.923 -0.373 1.00 0.00 C ATOM 483 C THR A 32 4.974 -11.623 0.903 1.00 0.00 C ATOM 484 O THR A 32 4.221 -12.445 1.387 1.00 0.00 O ATOM 485 CB THR A 32 7.224 -12.204 -0.017 1.00 0.00 C ATOM 486 OG1 THR A 32 7.892 -12.737 -1.152 1.00 0.00 O ATOM 487 CG2 THR A 32 7.285 -13.211 1.133 1.00 0.00 C ATOM 0 H THR A 32 6.583 -10.374 -1.589 1.00 0.00 H new ATOM 0 HA THR A 32 5.339 -12.796 -0.870 1.00 0.00 H new ATOM 0 HB THR A 32 7.709 -11.277 0.288 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.829 -12.916 -0.926 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.326 -13.411 1.387 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.772 -12.801 2.003 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.800 -14.139 0.830 1.00 0.00 H new ATOM 495 N ILE A 33 5.138 -10.450 1.452 1.00 0.00 N ATOM 496 CA ILE A 33 4.391 -10.103 2.693 1.00 0.00 C ATOM 497 C ILE A 33 2.889 -10.249 2.434 1.00 0.00 C ATOM 498 O ILE A 33 2.141 -10.659 3.300 1.00 0.00 O ATOM 499 CB ILE A 33 4.715 -8.659 3.103 1.00 0.00 C ATOM 500 CG1 ILE A 33 6.065 -8.627 3.824 1.00 0.00 C ATOM 501 CG2 ILE A 33 3.632 -8.128 4.049 1.00 0.00 C ATOM 502 CD1 ILE A 33 7.190 -8.460 2.802 1.00 0.00 C ATOM 0 H ILE A 33 5.755 -9.720 1.096 1.00 0.00 H new ATOM 0 HA ILE A 33 4.685 -10.774 3.500 1.00 0.00 H new ATOM 0 HB ILE A 33 4.754 -8.036 2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.086 -7.806 4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.208 -9.548 4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.869 -7.103 4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.666 -8.149 3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.590 -8.753 4.941 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.150 -8.438 3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.173 -9.296 2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.050 -7.527 2.256 1.00 0.00 H new ATOM 514 N PHE A 34 2.438 -9.918 1.253 1.00 0.00 N ATOM 515 CA PHE A 34 0.982 -10.044 0.960 1.00 0.00 C ATOM 516 C PHE A 34 0.654 -11.507 0.633 1.00 0.00 C ATOM 517 O PHE A 34 0.228 -12.244 1.498 1.00 0.00 O ATOM 518 CB PHE A 34 0.604 -9.131 -0.217 1.00 0.00 C ATOM 519 CG PHE A 34 1.261 -7.779 -0.048 1.00 0.00 C ATOM 520 CD1 PHE A 34 1.695 -7.358 1.217 1.00 0.00 C ATOM 521 CD2 PHE A 34 1.443 -6.948 -1.161 1.00 0.00 C ATOM 522 CE1 PHE A 34 2.313 -6.111 1.365 1.00 0.00 C ATOM 523 CE2 PHE A 34 2.057 -5.701 -1.011 1.00 0.00 C ATOM 524 CZ PHE A 34 2.494 -5.283 0.251 1.00 0.00 C ATOM 0 H PHE A 34 3.010 -9.569 0.484 1.00 0.00 H new ATOM 0 HA PHE A 34 0.405 -9.738 1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.920 -9.584 -1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.479 -9.016 -0.267 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.552 -7.996 2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.109 -7.271 -2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.650 -5.788 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.194 -5.060 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.971 -4.321 0.366 1.00 0.00 H new ATOM 534 N GLY A 35 0.866 -11.926 -0.599 1.00 0.00 N ATOM 535 CA GLY A 35 0.585 -13.345 -1.006 1.00 0.00 C ATOM 536 C GLY A 35 -0.438 -13.997 -0.073 1.00 0.00 C ATOM 537 O GLY A 35 -0.119 -14.905 0.668 1.00 0.00 O ATOM 0 H GLY A 35 1.227 -11.335 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.212 -13.365 -2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.511 -13.920 -0.993 1.00 0.00 H new ATOM 541 N LYS A 36 -1.660 -13.541 -0.092 1.00 0.00 N ATOM 542 CA LYS A 36 -2.683 -14.145 0.809 1.00 0.00 C ATOM 543 C LYS A 36 -4.067 -13.573 0.485 1.00 0.00 C ATOM 544 O LYS A 36 -5.055 -14.279 0.490 1.00 0.00 O ATOM 545 CB LYS A 36 -2.320 -13.825 2.263 1.00 0.00 C ATOM 546 CG LYS A 36 -3.398 -14.374 3.200 1.00 0.00 C ATOM 547 CD LYS A 36 -2.955 -14.180 4.653 1.00 0.00 C ATOM 548 CE LYS A 36 -3.857 -15.002 5.577 1.00 0.00 C ATOM 549 NZ LYS A 36 -3.190 -15.173 6.900 1.00 0.00 N ATOM 0 H LYS A 36 -1.993 -12.783 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.705 -15.225 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.353 -14.263 2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.225 -12.747 2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.344 -13.861 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.567 -15.432 2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.917 -14.489 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.006 -13.125 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.817 -14.502 5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.061 -15.976 5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.803 -15.731 7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.284 -15.667 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.018 -14.240 7.325 1.00 0.00 H new ATOM 563 N TYR A 37 -4.148 -12.299 0.211 1.00 0.00 N ATOM 564 CA TYR A 37 -5.474 -11.686 -0.104 1.00 0.00 C ATOM 565 C TYR A 37 -5.682 -11.665 -1.618 1.00 0.00 C ATOM 566 O TYR A 37 -6.400 -12.476 -2.168 1.00 0.00 O ATOM 567 CB TYR A 37 -5.535 -10.249 0.442 1.00 0.00 C ATOM 568 CG TYR A 37 -4.384 -10.005 1.392 1.00 0.00 C ATOM 569 CD1 TYR A 37 -4.358 -10.647 2.636 1.00 0.00 C ATOM 570 CD2 TYR A 37 -3.344 -9.146 1.023 1.00 0.00 C ATOM 571 CE1 TYR A 37 -3.290 -10.424 3.514 1.00 0.00 C ATOM 572 CE2 TYR A 37 -2.277 -8.926 1.900 1.00 0.00 C ATOM 573 CZ TYR A 37 -2.249 -9.565 3.145 1.00 0.00 C ATOM 574 OH TYR A 37 -1.196 -9.347 4.006 1.00 0.00 O ATOM 0 H TYR A 37 -3.356 -11.656 0.191 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.259 -12.279 0.365 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.494 -9.537 -0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.482 -10.087 0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.160 -11.313 2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.365 -8.653 0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.270 -10.915 4.476 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.474 -8.262 1.616 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.272 -9.950 4.775 1.00 0.00 H new ATOM 584 N GLY A 38 -5.057 -10.746 -2.294 1.00 0.00 N ATOM 585 CA GLY A 38 -5.211 -10.670 -3.774 1.00 0.00 C ATOM 586 C GLY A 38 -3.857 -10.932 -4.433 1.00 0.00 C ATOM 587 O GLY A 38 -2.921 -11.364 -3.790 1.00 0.00 O ATOM 0 H GLY A 38 -4.443 -10.041 -1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.942 -11.403 -4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.586 -9.688 -4.063 1.00 0.00 H new ATOM 591 N SER A 39 -3.739 -10.677 -5.706 1.00 0.00 N ATOM 592 CA SER A 39 -2.437 -10.914 -6.384 1.00 0.00 C ATOM 593 C SER A 39 -1.761 -9.579 -6.671 1.00 0.00 C ATOM 594 O SER A 39 -1.048 -9.435 -7.639 1.00 0.00 O ATOM 595 CB SER A 39 -2.664 -11.669 -7.693 1.00 0.00 C ATOM 596 OG SER A 39 -4.059 -11.847 -7.898 1.00 0.00 O ATOM 0 H SER A 39 -4.484 -10.317 -6.302 1.00 0.00 H new ATOM 0 HA SER A 39 -1.797 -11.511 -5.734 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.230 -11.115 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.164 -12.637 -7.659 1.00 0.00 H new ATOM 0 HG SER A 39 -4.207 -12.330 -8.738 1.00 0.00 H new ATOM 602 N ILE A 40 -1.980 -8.623 -5.805 1.00 0.00 N ATOM 603 CA ILE A 40 -1.364 -7.256 -5.948 1.00 0.00 C ATOM 604 C ILE A 40 -1.064 -6.941 -7.436 1.00 0.00 C ATOM 605 O ILE A 40 -0.088 -7.412 -7.984 1.00 0.00 O ATOM 606 CB ILE A 40 -0.057 -7.192 -5.128 1.00 0.00 C ATOM 607 CG1 ILE A 40 0.049 -8.410 -4.201 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.052 -5.924 -4.273 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.030 -8.320 -3.120 1.00 0.00 C ATOM 0 H ILE A 40 -2.574 -8.730 -4.983 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.070 -6.514 -5.574 1.00 0.00 H new ATOM 0 HB ILE A 40 0.787 -7.185 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.071 -9.329 -4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.037 -8.447 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.871 -5.879 -3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.118 -5.049 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.905 -5.939 -3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.957 -9.184 -2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.889 -7.408 -2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.014 -8.304 -3.589 1.00 0.00 H new ATOM 621 N VAL A 41 -1.886 -6.149 -8.101 1.00 0.00 N ATOM 622 CA VAL A 41 -1.618 -5.847 -9.546 1.00 0.00 C ATOM 623 C VAL A 41 -0.478 -4.819 -9.670 1.00 0.00 C ATOM 624 O VAL A 41 -0.208 -4.316 -10.743 1.00 0.00 O ATOM 625 CB VAL A 41 -2.897 -5.316 -10.268 1.00 0.00 C ATOM 626 CG1 VAL A 41 -4.170 -5.817 -9.582 1.00 0.00 C ATOM 627 CG2 VAL A 41 -2.948 -3.774 -10.306 1.00 0.00 C ATOM 0 H VAL A 41 -2.717 -5.707 -7.709 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.321 -6.777 -10.031 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.844 -5.698 -11.288 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.043 -5.430 -10.108 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.188 -6.907 -9.600 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.186 -5.471 -8.548 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.855 -3.452 -10.818 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.948 -3.385 -9.288 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.077 -3.394 -10.839 1.00 0.00 H new ATOM 637 N GLN A 42 0.206 -4.508 -8.595 1.00 0.00 N ATOM 638 CA GLN A 42 1.319 -3.519 -8.697 1.00 0.00 C ATOM 639 C GLN A 42 2.167 -3.520 -7.418 1.00 0.00 C ATOM 640 O GLN A 42 2.110 -4.428 -6.613 1.00 0.00 O ATOM 641 CB GLN A 42 0.739 -2.123 -8.927 1.00 0.00 C ATOM 642 CG GLN A 42 1.637 -1.355 -9.901 1.00 0.00 C ATOM 643 CD GLN A 42 0.834 -0.969 -11.145 1.00 0.00 C ATOM 644 OE1 GLN A 42 -0.104 -1.650 -11.511 1.00 0.00 O ATOM 645 NE2 GLN A 42 1.165 0.100 -11.814 1.00 0.00 N ATOM 0 H GLN A 42 0.043 -4.892 -7.664 1.00 0.00 H new ATOM 0 HA GLN A 42 1.958 -3.797 -9.535 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.272 -2.198 -9.329 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.667 -1.586 -7.981 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.032 -0.461 -9.419 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.492 -1.969 -10.184 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.952 0.671 -11.506 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.637 0.365 -12.645 1.00 0.00 H new ATOM 654 N LYS A 43 2.969 -2.502 -7.251 1.00 0.00 N ATOM 655 CA LYS A 43 3.863 -2.404 -6.055 1.00 0.00 C ATOM 656 C LYS A 43 5.002 -1.437 -6.403 1.00 0.00 C ATOM 657 O LYS A 43 5.884 -1.770 -7.169 1.00 0.00 O ATOM 658 CB LYS A 43 4.463 -3.781 -5.754 1.00 0.00 C ATOM 659 CG LYS A 43 3.861 -4.357 -4.468 1.00 0.00 C ATOM 660 CD LYS A 43 4.785 -5.449 -3.904 1.00 0.00 C ATOM 661 CE LYS A 43 5.338 -6.309 -5.047 1.00 0.00 C ATOM 662 NZ LYS A 43 4.208 -6.922 -5.801 1.00 0.00 N ATOM 0 H LYS A 43 3.045 -1.721 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 43 3.302 -2.055 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.272 -4.458 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.545 -3.699 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.727 -3.565 -3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.874 -4.772 -4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.606 -4.993 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.236 -6.074 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.945 -5.698 -5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.988 -7.088 -4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.529 -7.801 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.428 -7.134 -5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.877 -6.258 -6.530 1.00 0.00 H new ATOM 676 N ASN A 44 4.995 -0.241 -5.875 1.00 0.00 N ATOM 677 CA ASN A 44 6.087 0.715 -6.229 1.00 0.00 C ATOM 678 C ASN A 44 6.546 1.501 -4.997 1.00 0.00 C ATOM 679 O ASN A 44 6.065 1.305 -3.900 1.00 0.00 O ATOM 680 CB ASN A 44 5.573 1.697 -7.284 1.00 0.00 C ATOM 681 CG ASN A 44 6.536 1.723 -8.473 1.00 0.00 C ATOM 682 OD1 ASN A 44 7.729 1.872 -8.300 1.00 0.00 O ATOM 683 ND2 ASN A 44 6.065 1.584 -9.681 1.00 0.00 N ATOM 0 H ASN A 44 4.293 0.112 -5.224 1.00 0.00 H new ATOM 0 HA ASN A 44 6.933 0.147 -6.617 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.577 1.402 -7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.483 2.695 -6.854 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.698 1.600 -10.480 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.063 1.459 -9.827 1.00 0.00 H new ATOM 690 N ILE A 45 7.481 2.394 -5.189 1.00 0.00 N ATOM 691 CA ILE A 45 7.996 3.214 -4.054 1.00 0.00 C ATOM 692 C ILE A 45 8.195 4.655 -4.533 1.00 0.00 C ATOM 693 O ILE A 45 8.620 4.892 -5.647 1.00 0.00 O ATOM 694 CB ILE A 45 9.338 2.646 -3.585 1.00 0.00 C ATOM 695 CG1 ILE A 45 9.157 1.186 -3.160 1.00 0.00 C ATOM 696 CG2 ILE A 45 9.851 3.458 -2.396 1.00 0.00 C ATOM 697 CD1 ILE A 45 9.400 0.270 -4.360 1.00 0.00 C ATOM 0 H ILE A 45 7.913 2.592 -6.092 1.00 0.00 H new ATOM 0 HA ILE A 45 7.284 3.192 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 45 10.057 2.702 -4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.852 0.942 -2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.151 1.032 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.806 3.052 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.983 4.498 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.130 3.404 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.271 -0.769 -4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.688 0.509 -5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.415 0.417 -4.730 1.00 0.00 H new ATOM 709 N LEU A 46 7.893 5.623 -3.709 1.00 0.00 N ATOM 710 CA LEU A 46 8.069 7.041 -4.136 1.00 0.00 C ATOM 711 C LEU A 46 8.904 7.787 -3.095 1.00 0.00 C ATOM 712 O LEU A 46 8.632 7.734 -1.912 1.00 0.00 O ATOM 713 CB LEU A 46 6.701 7.711 -4.266 1.00 0.00 C ATOM 714 CG LEU A 46 5.872 6.982 -5.324 1.00 0.00 C ATOM 715 CD1 LEU A 46 4.721 6.237 -4.647 1.00 0.00 C ATOM 716 CD2 LEU A 46 5.305 8.002 -6.312 1.00 0.00 C ATOM 0 H LEU A 46 7.534 5.494 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 46 8.579 7.068 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.183 7.692 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.822 8.758 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 46 6.503 6.269 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.130 5.717 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.123 5.513 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.088 6.949 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.713 7.486 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.673 8.712 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.124 8.536 -6.794 1.00 0.00 H new ATOM 728 N ARG A 47 9.918 8.486 -3.527 1.00 0.00 N ATOM 729 CA ARG A 47 10.770 9.237 -2.563 1.00 0.00 C ATOM 730 C ARG A 47 10.618 10.739 -2.814 1.00 0.00 C ATOM 731 O ARG A 47 10.134 11.162 -3.844 1.00 0.00 O ATOM 732 CB ARG A 47 12.234 8.835 -2.754 1.00 0.00 C ATOM 733 CG ARG A 47 12.548 8.741 -4.247 1.00 0.00 C ATOM 734 CD ARG A 47 14.058 8.587 -4.440 1.00 0.00 C ATOM 735 NE ARG A 47 14.449 7.174 -4.176 1.00 0.00 N ATOM 736 CZ ARG A 47 15.422 6.628 -4.851 1.00 0.00 C ATOM 737 NH1 ARG A 47 15.176 6.038 -5.989 1.00 0.00 N ATOM 738 NH2 ARG A 47 16.641 6.672 -4.389 1.00 0.00 N ATOM 0 H ARG A 47 10.193 8.569 -4.506 1.00 0.00 H new ATOM 0 HA ARG A 47 10.459 9.004 -1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.888 9.567 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.425 7.877 -2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.026 7.892 -4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.194 9.634 -4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.337 8.869 -5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.592 9.256 -3.765 1.00 0.00 H new ATOM 0 HE ARG A 47 13.955 6.633 -3.466 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.223 6.004 -6.350 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.937 5.611 -6.517 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.833 7.133 -3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.402 6.245 -4.917 1.00 0.00 H new ATOM 888 N GLY A 56 8.123 11.028 1.254 1.00 0.00 N ATOM 889 CA GLY A 56 8.645 9.715 1.723 1.00 0.00 C ATOM 890 C GLY A 56 7.481 8.736 1.880 1.00 0.00 C ATOM 891 O GLY A 56 7.003 8.494 2.971 1.00 0.00 O ATOM 0 HA2 GLY A 56 9.371 9.324 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.165 9.836 2.674 1.00 0.00 H new ATOM 895 N VAL A 57 7.015 8.178 0.796 1.00 0.00 N ATOM 896 CA VAL A 57 5.876 7.222 0.881 1.00 0.00 C ATOM 897 C VAL A 57 5.877 6.308 -0.346 1.00 0.00 C ATOM 898 O VAL A 57 6.178 6.728 -1.446 1.00 0.00 O ATOM 899 CB VAL A 57 4.560 7.999 0.925 1.00 0.00 C ATOM 900 CG1 VAL A 57 4.611 9.034 2.051 1.00 0.00 C ATOM 901 CG2 VAL A 57 4.348 8.712 -0.413 1.00 0.00 C ATOM 0 H VAL A 57 7.374 8.343 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 57 5.980 6.621 1.784 1.00 0.00 H new ATOM 0 HB VAL A 57 3.737 7.308 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.672 9.586 2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.764 8.528 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.434 9.726 1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.410 9.267 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.173 9.402 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.310 7.976 -1.216 1.00 0.00 H new ATOM 911 N ALA A 58 5.531 5.064 -0.168 1.00 0.00 N ATOM 912 CA ALA A 58 5.495 4.130 -1.325 1.00 0.00 C ATOM 913 C ALA A 58 4.048 3.971 -1.784 1.00 0.00 C ATOM 914 O ALA A 58 3.151 4.607 -1.267 1.00 0.00 O ATOM 915 CB ALA A 58 6.055 2.768 -0.905 1.00 0.00 C ATOM 0 H ALA A 58 5.272 4.654 0.729 1.00 0.00 H new ATOM 0 HA ALA A 58 6.100 4.527 -2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.027 2.086 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.085 2.886 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.452 2.361 -0.093 1.00 0.00 H new ATOM 921 N PHE A 59 3.805 3.131 -2.749 1.00 0.00 N ATOM 922 CA PHE A 59 2.409 2.944 -3.228 1.00 0.00 C ATOM 923 C PHE A 59 2.112 1.453 -3.367 1.00 0.00 C ATOM 924 O PHE A 59 2.597 0.796 -4.265 1.00 0.00 O ATOM 925 CB PHE A 59 2.237 3.625 -4.588 1.00 0.00 C ATOM 926 CG PHE A 59 0.792 4.028 -4.775 1.00 0.00 C ATOM 927 CD1 PHE A 59 -0.217 3.374 -4.059 1.00 0.00 C ATOM 928 CD2 PHE A 59 0.463 5.056 -5.665 1.00 0.00 C ATOM 929 CE1 PHE A 59 -1.553 3.748 -4.233 1.00 0.00 C ATOM 930 CE2 PHE A 59 -0.874 5.430 -5.839 1.00 0.00 C ATOM 931 CZ PHE A 59 -1.883 4.776 -5.123 1.00 0.00 C ATOM 0 H PHE A 59 4.510 2.568 -3.225 1.00 0.00 H new ATOM 0 HA PHE A 59 1.719 3.387 -2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.881 4.502 -4.650 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.542 2.948 -5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.036 2.580 -3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.241 5.561 -6.218 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.331 3.243 -3.680 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.127 6.224 -6.526 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.915 5.064 -5.257 1.00 0.00 H new ATOM 941 N VAL A 60 1.310 0.912 -2.493 1.00 0.00 N ATOM 942 CA VAL A 60 0.982 -0.535 -2.593 1.00 0.00 C ATOM 943 C VAL A 60 -0.196 -0.694 -3.554 1.00 0.00 C ATOM 944 O VAL A 60 -0.926 0.242 -3.827 1.00 0.00 O ATOM 945 CB VAL A 60 0.623 -1.084 -1.196 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.452 -2.178 -1.293 1.00 0.00 C ATOM 947 CG2 VAL A 60 1.876 -1.685 -0.555 1.00 0.00 C ATOM 0 H VAL A 60 0.870 1.407 -1.718 1.00 0.00 H new ATOM 0 HA VAL A 60 1.838 -1.096 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 60 0.237 -0.262 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.686 -2.547 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.352 -1.764 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.081 -2.999 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.628 -2.075 0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.252 -2.494 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.641 -0.915 -0.460 1.00 0.00 H new ATOM 957 N ARG A 61 -0.383 -1.874 -4.065 1.00 0.00 N ATOM 958 CA ARG A 61 -1.499 -2.097 -5.013 1.00 0.00 C ATOM 959 C ARG A 61 -2.636 -2.849 -4.337 1.00 0.00 C ATOM 960 O ARG A 61 -2.428 -3.799 -3.609 1.00 0.00 O ATOM 961 CB ARG A 61 -0.994 -2.937 -6.192 1.00 0.00 C ATOM 962 CG ARG A 61 -2.003 -2.894 -7.350 1.00 0.00 C ATOM 963 CD ARG A 61 -3.317 -3.642 -7.024 1.00 0.00 C ATOM 964 NE ARG A 61 -3.122 -4.714 -5.996 1.00 0.00 N ATOM 965 CZ ARG A 61 -4.056 -5.617 -5.771 1.00 0.00 C ATOM 966 NH1 ARG A 61 -4.988 -5.854 -6.647 1.00 0.00 N ATOM 967 NH2 ARG A 61 -4.046 -6.288 -4.651 1.00 0.00 N ATOM 0 H ARG A 61 0.190 -2.694 -3.866 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.864 -1.129 -5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.028 -2.560 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.840 -3.968 -5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.231 -1.855 -7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.550 -3.334 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.059 -2.929 -6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.716 -4.085 -7.936 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.254 -4.746 -5.462 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.005 -5.337 -7.526 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.702 -6.557 -6.455 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.319 -6.112 -3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.765 -6.988 -4.470 1.00 0.00 H new ATOM 981 N TYR A 62 -3.837 -2.473 -4.645 1.00 0.00 N ATOM 982 CA TYR A 62 -5.019 -3.195 -4.115 1.00 0.00 C ATOM 983 C TYR A 62 -6.216 -2.830 -5.002 1.00 0.00 C ATOM 984 O TYR A 62 -7.117 -2.124 -4.598 1.00 0.00 O ATOM 985 CB TYR A 62 -5.275 -2.811 -2.662 1.00 0.00 C ATOM 986 CG TYR A 62 -4.520 -3.780 -1.783 1.00 0.00 C ATOM 987 CD1 TYR A 62 -5.033 -5.061 -1.554 1.00 0.00 C ATOM 988 CD2 TYR A 62 -3.297 -3.407 -1.219 1.00 0.00 C ATOM 989 CE1 TYR A 62 -4.323 -5.969 -0.759 1.00 0.00 C ATOM 990 CE2 TYR A 62 -2.587 -4.314 -0.422 1.00 0.00 C ATOM 991 CZ TYR A 62 -3.098 -5.595 -0.194 1.00 0.00 C ATOM 992 OH TYR A 62 -2.395 -6.490 0.588 1.00 0.00 O ATOM 0 H TYR A 62 -4.055 -1.683 -5.252 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.852 -4.272 -4.134 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.945 -1.789 -2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.342 -2.847 -2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -5.978 -5.350 -1.991 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.899 -2.419 -1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.720 -6.958 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.644 -4.023 0.017 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.001 -7.190 0.909 1.00 0.00 H new ATOM 1002 N ASN A 63 -6.206 -3.289 -6.226 1.00 0.00 N ATOM 1003 CA ASN A 63 -7.297 -2.960 -7.173 1.00 0.00 C ATOM 1004 C ASN A 63 -8.647 -3.161 -6.493 1.00 0.00 C ATOM 1005 O ASN A 63 -9.218 -2.247 -5.941 1.00 0.00 O ATOM 1006 CB ASN A 63 -7.222 -3.870 -8.382 1.00 0.00 C ATOM 1007 CG ASN A 63 -6.288 -3.260 -9.427 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -5.640 -2.264 -9.174 1.00 0.00 O ATOM 1009 ND2 ASN A 63 -6.193 -3.818 -10.603 1.00 0.00 N ATOM 0 H ASN A 63 -5.474 -3.887 -6.610 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.189 -1.921 -7.485 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.860 -4.855 -8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.216 -4.010 -8.806 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.575 -3.418 -11.309 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.737 -4.654 -10.816 1.00 0.00 H new ATOM 1016 N LYS A 64 -9.154 -4.369 -6.537 1.00 0.00 N ATOM 1017 CA LYS A 64 -10.468 -4.672 -5.898 1.00 0.00 C ATOM 1018 C LYS A 64 -10.603 -3.880 -4.600 1.00 0.00 C ATOM 1019 O LYS A 64 -9.826 -4.039 -3.679 1.00 0.00 O ATOM 1020 CB LYS A 64 -10.543 -6.171 -5.590 1.00 0.00 C ATOM 1021 CG LYS A 64 -11.872 -6.492 -4.902 1.00 0.00 C ATOM 1022 CD LYS A 64 -11.820 -7.912 -4.335 1.00 0.00 C ATOM 1023 CE LYS A 64 -12.862 -8.784 -5.041 1.00 0.00 C ATOM 1024 NZ LYS A 64 -14.141 -8.758 -4.275 1.00 0.00 N ATOM 0 H LYS A 64 -8.707 -5.164 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.276 -4.393 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.452 -6.746 -6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.711 -6.462 -4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.063 -5.776 -4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.693 -6.402 -5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.824 -8.334 -4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.013 -7.894 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.027 -8.421 -6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.497 -9.808 -5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.698 -9.607 -4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.935 -8.740 -3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.683 -7.909 -4.533 1.00 0.00 H new ATOM 1038 N ARG A 65 -11.579 -3.022 -4.522 1.00 0.00 N ATOM 1039 CA ARG A 65 -11.761 -2.215 -3.289 1.00 0.00 C ATOM 1040 C ARG A 65 -11.638 -3.119 -2.060 1.00 0.00 C ATOM 1041 O ARG A 65 -10.941 -2.806 -1.114 1.00 0.00 O ATOM 1042 CB ARG A 65 -13.144 -1.565 -3.309 1.00 0.00 C ATOM 1043 CG ARG A 65 -13.191 -0.484 -4.394 1.00 0.00 C ATOM 1044 CD ARG A 65 -13.702 -1.088 -5.702 1.00 0.00 C ATOM 1045 NE ARG A 65 -14.886 -0.318 -6.171 1.00 0.00 N ATOM 1046 CZ ARG A 65 -14.731 0.664 -7.015 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -14.253 1.808 -6.607 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -15.047 0.502 -8.270 1.00 0.00 N ATOM 0 H ARG A 65 -12.259 -2.845 -5.261 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.995 -1.441 -3.245 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.908 -2.319 -3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.365 -1.127 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.842 0.332 -4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -12.198 -0.060 -4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.917 -1.065 -6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.970 -2.134 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 65 -15.818 -0.558 -5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.000 1.935 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.132 2.575 -7.268 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.416 -0.393 -8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.926 1.270 -8.930 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.307 -4.238 -2.064 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.226 -5.158 -0.894 1.00 0.00 C ATOM 1064 C GLU A 66 -10.761 -5.487 -0.599 1.00 0.00 C ATOM 1065 O GLU A 66 -10.302 -5.381 0.523 1.00 0.00 O ATOM 1066 CB GLU A 66 -12.984 -6.448 -1.210 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.415 -6.336 -0.684 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.042 -7.728 -0.614 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -14.356 -8.683 -0.943 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -16.198 -7.818 -0.233 1.00 0.00 O ATOM 0 H GLU A 66 -12.906 -4.556 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.670 -4.677 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.993 -6.624 -2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.482 -7.300 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.416 -5.875 0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.005 -5.692 -1.337 1.00 0.00 H new ATOM 1077 N GLU A 67 -10.021 -5.884 -1.598 1.00 0.00 N ATOM 1078 CA GLU A 67 -8.588 -6.217 -1.370 1.00 0.00 C ATOM 1079 C GLU A 67 -7.895 -5.035 -0.690 1.00 0.00 C ATOM 1080 O GLU A 67 -7.121 -5.205 0.230 1.00 0.00 O ATOM 1081 CB GLU A 67 -7.913 -6.517 -2.710 1.00 0.00 C ATOM 1082 CG GLU A 67 -6.833 -7.583 -2.508 1.00 0.00 C ATOM 1083 CD GLU A 67 -7.485 -8.966 -2.433 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -8.045 -9.391 -3.430 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -7.410 -9.578 -1.380 1.00 0.00 O ATOM 0 H GLU A 67 -10.346 -5.992 -2.559 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.513 -7.095 -0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.652 -6.864 -3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.471 -5.608 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.118 -7.551 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.276 -7.382 -1.593 1.00 0.00 H new ATOM 1092 N ALA A 68 -8.165 -3.834 -1.124 1.00 0.00 N ATOM 1093 CA ALA A 68 -7.514 -2.661 -0.477 1.00 0.00 C ATOM 1094 C ALA A 68 -7.809 -2.705 1.020 1.00 0.00 C ATOM 1095 O ALA A 68 -6.952 -2.431 1.836 1.00 0.00 O ATOM 1096 CB ALA A 68 -8.048 -1.365 -1.088 1.00 0.00 C ATOM 0 H ALA A 68 -8.802 -3.616 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.437 -2.695 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.567 -0.512 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.833 -1.351 -2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.126 -1.307 -0.934 1.00 0.00 H new ATOM 1102 N GLN A 69 -9.004 -3.078 1.395 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.316 -3.170 2.845 1.00 0.00 C ATOM 1104 C GLN A 69 -8.282 -4.103 3.473 1.00 0.00 C ATOM 1105 O GLN A 69 -7.705 -3.819 4.510 1.00 0.00 O ATOM 1106 CB GLN A 69 -10.723 -3.740 3.044 1.00 0.00 C ATOM 1107 CG GLN A 69 -11.482 -2.881 4.057 1.00 0.00 C ATOM 1108 CD GLN A 69 -12.490 -3.748 4.813 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -13.680 -3.507 4.757 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -12.063 -4.755 5.526 1.00 0.00 N ATOM 0 H GLN A 69 -9.769 -3.320 0.765 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.282 -2.185 3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.257 -3.759 2.094 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.663 -4.770 3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.783 -2.424 4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.998 -2.068 3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.065 -4.959 5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.728 -5.338 6.035 1.00 0.00 H new ATOM 1119 N GLU A 70 -8.016 -5.208 2.830 1.00 0.00 N ATOM 1120 CA GLU A 70 -6.993 -6.139 3.367 1.00 0.00 C ATOM 1121 C GLU A 70 -5.748 -5.325 3.691 1.00 0.00 C ATOM 1122 O GLU A 70 -5.333 -5.237 4.822 1.00 0.00 O ATOM 1123 CB GLU A 70 -6.640 -7.195 2.319 1.00 0.00 C ATOM 1124 CG GLU A 70 -7.149 -8.563 2.777 1.00 0.00 C ATOM 1125 CD GLU A 70 -8.370 -8.963 1.945 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -8.358 -8.710 0.751 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -9.295 -9.515 2.515 1.00 0.00 O ATOM 0 H GLU A 70 -8.462 -5.502 1.961 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.376 -6.641 4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.085 -6.933 1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.561 -7.228 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.362 -9.310 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.412 -8.529 3.834 1.00 0.00 H new ATOM 1134 N ALA A 71 -5.157 -4.718 2.698 1.00 0.00 N ATOM 1135 CA ALA A 71 -3.941 -3.898 2.946 1.00 0.00 C ATOM 1136 C ALA A 71 -4.153 -3.055 4.199 1.00 0.00 C ATOM 1137 O ALA A 71 -3.264 -2.900 5.009 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.682 -2.983 1.753 1.00 0.00 C ATOM 0 H ALA A 71 -5.465 -4.756 1.726 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.082 -4.554 3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.790 -2.385 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.533 -3.586 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.538 -2.323 1.608 1.00 0.00 H new ATOM 1144 N ILE A 72 -5.326 -2.515 4.385 1.00 0.00 N ATOM 1145 CA ILE A 72 -5.558 -1.706 5.609 1.00 0.00 C ATOM 1146 C ILE A 72 -5.016 -2.499 6.799 1.00 0.00 C ATOM 1147 O ILE A 72 -4.103 -2.076 7.476 1.00 0.00 O ATOM 1148 CB ILE A 72 -7.057 -1.444 5.797 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -7.620 -0.783 4.535 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -7.265 -0.512 6.993 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -6.967 0.586 4.344 1.00 0.00 C ATOM 0 H ILE A 72 -6.121 -2.598 3.752 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.054 -0.743 5.526 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.572 -2.388 5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.431 -1.413 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.701 -0.674 4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.330 -0.325 7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.862 -0.978 7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.751 0.432 6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.367 1.058 3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.179 1.214 5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.889 0.464 4.240 1.00 0.00 H new ATOM 1163 N SER A 73 -5.550 -3.663 7.038 1.00 0.00 N ATOM 1164 CA SER A 73 -5.046 -4.486 8.178 1.00 0.00 C ATOM 1165 C SER A 73 -3.802 -5.280 7.752 1.00 0.00 C ATOM 1166 O SER A 73 -2.704 -5.036 8.212 1.00 0.00 O ATOM 1167 CB SER A 73 -6.139 -5.459 8.622 1.00 0.00 C ATOM 1168 OG SER A 73 -6.708 -4.999 9.842 1.00 0.00 O ATOM 0 H SER A 73 -6.309 -4.081 6.499 1.00 0.00 H new ATOM 0 HA SER A 73 -4.780 -3.824 9.002 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.909 -5.535 7.854 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.722 -6.457 8.755 1.00 0.00 H new ATOM 0 HG SER A 73 -7.410 -5.619 10.130 1.00 0.00 H new ATOM 1174 N ALA A 74 -3.979 -6.240 6.891 1.00 0.00 N ATOM 1175 CA ALA A 74 -2.837 -7.083 6.430 1.00 0.00 C ATOM 1176 C ALA A 74 -1.613 -6.228 6.069 1.00 0.00 C ATOM 1177 O ALA A 74 -0.515 -6.501 6.513 1.00 0.00 O ATOM 1178 CB ALA A 74 -3.269 -7.883 5.199 1.00 0.00 C ATOM 0 H ALA A 74 -4.880 -6.482 6.479 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.557 -7.751 7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.439 -8.501 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.114 -8.521 5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.562 -7.197 4.404 1.00 0.00 H new ATOM 1184 N LEU A 75 -1.772 -5.217 5.255 1.00 0.00 N ATOM 1185 CA LEU A 75 -0.583 -4.397 4.871 1.00 0.00 C ATOM 1186 C LEU A 75 -0.226 -3.405 5.988 1.00 0.00 C ATOM 1187 O LEU A 75 0.925 -3.045 6.131 1.00 0.00 O ATOM 1188 CB LEU A 75 -0.856 -3.629 3.565 1.00 0.00 C ATOM 1189 CG LEU A 75 -0.768 -4.545 2.319 1.00 0.00 C ATOM 1190 CD1 LEU A 75 0.271 -3.969 1.357 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -0.357 -5.979 2.685 1.00 0.00 C ATOM 0 H LEU A 75 -2.659 -4.926 4.844 1.00 0.00 H new ATOM 0 HA LEU A 75 0.258 -5.074 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.846 -3.176 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.138 -2.815 3.467 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.756 -4.583 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.342 -4.605 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.028 -2.965 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.241 -3.925 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.308 -6.586 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.621 -5.966 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.092 -6.405 3.368 1.00 0.00 H new ATOM 1203 N ASN A 76 -1.167 -2.958 6.796 1.00 0.00 N ATOM 1204 CA ASN A 76 -0.783 -2.009 7.888 1.00 0.00 C ATOM 1205 C ASN A 76 0.469 -2.572 8.567 1.00 0.00 C ATOM 1206 O ASN A 76 0.444 -3.646 9.137 1.00 0.00 O ATOM 1207 CB ASN A 76 -1.927 -1.880 8.906 1.00 0.00 C ATOM 1208 CG ASN A 76 -1.379 -1.422 10.262 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -1.030 -0.271 10.430 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -1.288 -2.280 11.240 1.00 0.00 N ATOM 0 H ASN A 76 -2.156 -3.203 6.747 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.585 -1.017 7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.667 -1.166 8.544 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.436 -2.838 9.016 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.924 -1.984 12.146 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.581 -3.247 11.099 1.00 0.00 H new ATOM 1217 N ASN A 77 1.574 -1.886 8.477 1.00 0.00 N ATOM 1218 CA ASN A 77 2.820 -2.430 9.082 1.00 0.00 C ATOM 1219 C ASN A 77 3.127 -3.763 8.393 1.00 0.00 C ATOM 1220 O ASN A 77 2.848 -4.823 8.919 1.00 0.00 O ATOM 1221 CB ASN A 77 2.619 -2.660 10.584 1.00 0.00 C ATOM 1222 CG ASN A 77 1.782 -1.525 11.175 1.00 0.00 C ATOM 1223 OD1 ASN A 77 1.493 -0.552 10.505 1.00 0.00 O ATOM 1224 ND2 ASN A 77 1.376 -1.606 12.414 1.00 0.00 N ATOM 0 H ASN A 77 1.668 -0.981 8.015 1.00 0.00 H new ATOM 0 HA ASN A 77 3.643 -1.728 8.950 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.122 -3.616 10.751 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.585 -2.711 11.086 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.818 -0.854 12.818 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.617 -2.421 12.977 1.00 0.00 H new ATOM 1231 N VAL A 78 3.680 -3.717 7.208 1.00 0.00 N ATOM 1232 CA VAL A 78 3.983 -4.982 6.474 1.00 0.00 C ATOM 1233 C VAL A 78 5.346 -5.520 6.920 1.00 0.00 C ATOM 1234 O VAL A 78 6.165 -5.925 6.117 1.00 0.00 O ATOM 1235 CB VAL A 78 3.977 -4.715 4.956 1.00 0.00 C ATOM 1236 CG1 VAL A 78 2.854 -3.738 4.606 1.00 0.00 C ATOM 1237 CG2 VAL A 78 5.315 -4.111 4.519 1.00 0.00 C ATOM 0 H VAL A 78 3.934 -2.859 6.718 1.00 0.00 H new ATOM 0 HA VAL A 78 3.221 -5.728 6.700 1.00 0.00 H new ATOM 0 HB VAL A 78 3.820 -5.661 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.854 -3.553 3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.895 -4.165 4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.011 -2.799 5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.298 -3.927 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.479 -3.171 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.122 -4.805 4.755 1.00 0.00 H new ATOM 1247 N ILE A 79 5.587 -5.532 8.202 1.00 0.00 N ATOM 1248 CA ILE A 79 6.885 -6.045 8.720 1.00 0.00 C ATOM 1249 C ILE A 79 6.650 -6.754 10.055 1.00 0.00 C ATOM 1250 O ILE A 79 5.814 -6.342 10.836 1.00 0.00 O ATOM 1251 CB ILE A 79 7.850 -4.877 8.945 1.00 0.00 C ATOM 1252 CG1 ILE A 79 7.098 -3.718 9.613 1.00 0.00 C ATOM 1253 CG2 ILE A 79 8.433 -4.418 7.607 1.00 0.00 C ATOM 1254 CD1 ILE A 79 6.295 -2.939 8.567 1.00 0.00 C ATOM 0 H ILE A 79 4.936 -5.206 8.917 1.00 0.00 H new ATOM 0 HA ILE A 79 7.311 -6.739 7.996 1.00 0.00 H new ATOM 0 HB ILE A 79 8.666 -5.200 9.592 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.430 -4.104 10.383 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.805 -3.053 10.109 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.118 -3.587 7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.971 -5.244 7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.625 -4.095 6.950 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.765 -2.119 9.052 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.972 -2.538 7.813 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.575 -3.605 8.091 1.00 0.00 H new ATOM 1266 N PRO A 80 7.407 -7.792 10.280 1.00 0.00 N ATOM 1267 CA PRO A 80 7.246 -8.519 11.555 1.00 0.00 C ATOM 1268 C PRO A 80 7.588 -7.585 12.717 1.00 0.00 C ATOM 1269 O PRO A 80 8.525 -6.815 12.643 1.00 0.00 O ATOM 1270 CB PRO A 80 8.245 -9.673 11.469 1.00 0.00 C ATOM 1271 CG PRO A 80 9.310 -9.243 10.444 1.00 0.00 C ATOM 1272 CD PRO A 80 8.679 -8.125 9.598 1.00 0.00 C ATOM 0 HA PRO A 80 6.230 -8.878 11.720 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.697 -9.870 12.441 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.751 -10.593 11.155 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.210 -8.888 10.946 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.606 -10.084 9.817 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.335 -7.256 9.542 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.502 -8.458 8.575 1.00 0.00 H new ATOM 1280 N GLU A 81 6.833 -7.636 13.783 1.00 0.00 N ATOM 1281 CA GLU A 81 7.112 -6.739 14.943 1.00 0.00 C ATOM 1282 C GLU A 81 8.622 -6.643 15.172 1.00 0.00 C ATOM 1283 O GLU A 81 9.248 -7.572 15.643 1.00 0.00 O ATOM 1284 CB GLU A 81 6.442 -7.305 16.198 1.00 0.00 C ATOM 1285 CG GLU A 81 5.978 -6.155 17.096 1.00 0.00 C ATOM 1286 CD GLU A 81 7.165 -5.608 17.892 1.00 0.00 C ATOM 1287 OE1 GLU A 81 8.159 -5.260 17.277 1.00 0.00 O ATOM 1288 OE2 GLU A 81 7.059 -5.542 19.106 1.00 0.00 O ATOM 0 H GLU A 81 6.035 -8.260 13.900 1.00 0.00 H new ATOM 0 HA GLU A 81 6.716 -5.746 14.733 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.592 -7.928 15.919 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.141 -7.943 16.739 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.539 -5.363 16.490 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.201 -6.504 17.777 1.00 0.00 H new ATOM 1295 N GLY A 82 9.212 -5.524 14.846 1.00 0.00 N ATOM 1296 CA GLY A 82 10.680 -5.370 15.048 1.00 0.00 C ATOM 1297 C GLY A 82 11.187 -4.160 14.260 1.00 0.00 C ATOM 1298 O GLY A 82 12.260 -4.186 13.689 1.00 0.00 O ATOM 0 H GLY A 82 8.741 -4.711 14.449 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.899 -5.243 16.108 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.198 -6.272 14.721 1.00 0.00 H new ATOM 1302 N GLY A 83 10.428 -3.099 14.224 1.00 0.00 N ATOM 1303 CA GLY A 83 10.873 -1.889 13.476 1.00 0.00 C ATOM 1304 C GLY A 83 10.573 -2.059 11.986 1.00 0.00 C ATOM 1305 O GLY A 83 9.532 -2.555 11.605 1.00 0.00 O ATOM 0 H GLY A 83 9.519 -3.018 14.680 1.00 0.00 H new ATOM 0 HA2 GLY A 83 10.363 -1.005 13.860 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.941 -1.731 13.625 1.00 0.00 H new ATOM 1309 N SER A 84 11.479 -1.640 11.145 1.00 0.00 N ATOM 1310 CA SER A 84 11.256 -1.760 9.676 1.00 0.00 C ATOM 1311 C SER A 84 10.325 -0.638 9.210 1.00 0.00 C ATOM 1312 O SER A 84 10.073 -0.479 8.033 1.00 0.00 O ATOM 1313 CB SER A 84 10.626 -3.116 9.355 1.00 0.00 C ATOM 1314 OG SER A 84 10.988 -3.501 8.037 1.00 0.00 O ATOM 0 H SER A 84 12.368 -1.218 11.414 1.00 0.00 H new ATOM 0 HA SER A 84 12.212 -1.680 9.159 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.964 -3.865 10.071 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.541 -3.056 9.444 1.00 0.00 H new ATOM 0 HG SER A 84 11.183 -4.461 8.019 1.00 0.00 H new ATOM 1320 N GLN A 85 9.815 0.146 10.125 1.00 0.00 N ATOM 1321 CA GLN A 85 8.904 1.261 9.739 1.00 0.00 C ATOM 1322 C GLN A 85 7.698 0.706 8.975 1.00 0.00 C ATOM 1323 O GLN A 85 7.842 0.139 7.910 1.00 0.00 O ATOM 1324 CB GLN A 85 9.663 2.250 8.856 1.00 0.00 C ATOM 1325 CG GLN A 85 10.571 3.116 9.730 1.00 0.00 C ATOM 1326 CD GLN A 85 10.758 4.484 9.071 1.00 0.00 C ATOM 1327 OE1 GLN A 85 11.140 4.570 7.921 1.00 0.00 O ATOM 1328 NE2 GLN A 85 10.501 5.565 9.755 1.00 0.00 N ATOM 0 H GLN A 85 9.992 0.060 11.126 1.00 0.00 H new ATOM 0 HA GLN A 85 8.552 1.769 10.637 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.256 1.713 8.116 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.961 2.878 8.307 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.134 3.235 10.722 1.00 0.00 H new ATOM 0 HG3 GLN A 85 11.537 2.629 9.864 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.180 5.493 10.721 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.621 6.482 9.324 1.00 0.00 H new ATOM 1337 N PRO A 86 6.540 0.892 9.551 1.00 0.00 N ATOM 1338 CA PRO A 86 5.316 0.391 8.885 1.00 0.00 C ATOM 1339 C PRO A 86 4.824 1.404 7.845 1.00 0.00 C ATOM 1340 O PRO A 86 5.391 2.465 7.683 1.00 0.00 O ATOM 1341 CB PRO A 86 4.299 0.245 10.018 1.00 0.00 C ATOM 1342 CG PRO A 86 4.770 1.183 11.145 1.00 0.00 C ATOM 1343 CD PRO A 86 6.264 1.451 10.895 1.00 0.00 C ATOM 0 HA PRO A 86 5.481 -0.546 8.354 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.299 0.515 9.680 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.250 -0.787 10.366 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.202 2.114 11.138 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.616 0.724 12.121 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.484 2.518 10.930 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.882 0.973 11.655 1.00 0.00 H new ATOM 1351 N LEU A 87 3.773 1.082 7.139 1.00 0.00 N ATOM 1352 CA LEU A 87 3.247 2.024 6.112 1.00 0.00 C ATOM 1353 C LEU A 87 1.826 2.440 6.480 1.00 0.00 C ATOM 1354 O LEU A 87 1.016 1.627 6.881 1.00 0.00 O ATOM 1355 CB LEU A 87 3.209 1.351 4.731 1.00 0.00 C ATOM 1356 CG LEU A 87 3.333 -0.170 4.857 1.00 0.00 C ATOM 1357 CD1 LEU A 87 1.971 -0.762 5.219 1.00 0.00 C ATOM 1358 CD2 LEU A 87 3.796 -0.750 3.519 1.00 0.00 C ATOM 0 H LEU A 87 3.257 0.207 7.230 1.00 0.00 H new ATOM 0 HA LEU A 87 3.904 2.893 6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.277 1.603 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.020 1.735 4.113 1.00 0.00 H new ATOM 0 HG LEU A 87 4.056 -0.415 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.057 -1.845 5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.633 -0.345 6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.250 -0.519 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.886 -1.833 3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.068 -0.506 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.764 -0.325 3.254 1.00 0.00 H new ATOM 1370 N SER A 88 1.502 3.692 6.314 1.00 0.00 N ATOM 1371 CA SER A 88 0.120 4.135 6.620 1.00 0.00 C ATOM 1372 C SER A 88 -0.753 3.731 5.437 1.00 0.00 C ATOM 1373 O SER A 88 -0.697 4.331 4.381 1.00 0.00 O ATOM 1374 CB SER A 88 0.080 5.654 6.795 1.00 0.00 C ATOM 1375 OG SER A 88 1.048 6.042 7.761 1.00 0.00 O ATOM 0 H SER A 88 2.133 4.421 5.981 1.00 0.00 H new ATOM 0 HA SER A 88 -0.235 3.678 7.544 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.281 6.146 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.914 5.969 7.113 1.00 0.00 H new ATOM 0 HG SER A 88 1.807 6.468 7.311 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.522 2.693 5.594 1.00 0.00 N ATOM 1382 CA VAL A 89 -2.371 2.211 4.467 1.00 0.00 C ATOM 1383 C VAL A 89 -3.676 3.008 4.387 1.00 0.00 C ATOM 1384 O VAL A 89 -4.247 3.401 5.385 1.00 0.00 O ATOM 1385 CB VAL A 89 -2.683 0.722 4.656 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -1.514 -0.107 4.125 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -2.887 0.412 6.143 1.00 0.00 C ATOM 0 H VAL A 89 -1.601 2.154 6.456 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.823 2.355 3.536 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.594 0.475 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.730 -1.167 4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.369 0.105 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.608 0.149 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.108 -0.648 6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.980 0.660 6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.718 1.003 6.527 1.00 0.00 H new ATOM 1397 N ARG A 90 -4.142 3.244 3.190 1.00 0.00 N ATOM 1398 CA ARG A 90 -5.406 4.011 2.997 1.00 0.00 C ATOM 1399 C ARG A 90 -5.587 4.299 1.503 1.00 0.00 C ATOM 1400 O ARG A 90 -4.670 4.733 0.828 1.00 0.00 O ATOM 1401 CB ARG A 90 -5.327 5.330 3.768 1.00 0.00 C ATOM 1402 CG ARG A 90 -3.999 6.023 3.459 1.00 0.00 C ATOM 1403 CD ARG A 90 -4.260 7.289 2.642 1.00 0.00 C ATOM 1404 NE ARG A 90 -5.298 8.115 3.321 1.00 0.00 N ATOM 1405 CZ ARG A 90 -5.758 9.191 2.744 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -5.098 9.735 1.758 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -6.878 9.722 3.151 1.00 0.00 N ATOM 0 H ARG A 90 -3.695 2.934 2.327 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.252 3.431 3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.160 5.976 3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.411 5.143 4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.485 6.276 4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.345 5.349 2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.338 7.861 2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.591 7.024 1.638 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.649 7.839 4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.223 9.319 1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.457 10.576 1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.394 9.296 3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.237 10.563 2.700 1.00 0.00 H new ATOM 1421 N LEU A 91 -6.759 4.057 0.979 1.00 0.00 N ATOM 1422 CA LEU A 91 -6.995 4.312 -0.472 1.00 0.00 C ATOM 1423 C LEU A 91 -6.784 5.798 -0.767 1.00 0.00 C ATOM 1424 O LEU A 91 -7.501 6.648 -0.275 1.00 0.00 O ATOM 1425 CB LEU A 91 -8.431 3.921 -0.831 1.00 0.00 C ATOM 1426 CG LEU A 91 -8.432 2.792 -1.869 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -8.077 3.351 -3.250 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -7.410 1.719 -1.477 1.00 0.00 C ATOM 0 H LEU A 91 -7.562 3.694 1.492 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.298 3.720 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.963 3.601 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.963 4.787 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.427 2.348 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.080 2.543 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.811 4.103 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.087 3.805 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.417 0.921 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.416 2.163 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.669 1.309 -0.501 1.00 0.00 H new ATOM 1440 N ALA A 92 -5.808 6.117 -1.570 1.00 0.00 N ATOM 1441 CA ALA A 92 -5.552 7.546 -1.900 1.00 0.00 C ATOM 1442 C ALA A 92 -6.707 8.086 -2.745 1.00 0.00 C ATOM 1443 O ALA A 92 -7.473 7.335 -3.316 1.00 0.00 O ATOM 1444 CB ALA A 92 -4.246 7.661 -2.689 1.00 0.00 C ATOM 0 H ALA A 92 -5.176 5.449 -2.012 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.472 8.124 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.058 8.707 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.423 7.274 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.326 7.084 -3.610 1.00 0.00 H new ATOM 1450 N GLU A 93 -6.840 9.380 -2.831 1.00 0.00 N ATOM 1451 CA GLU A 93 -7.947 9.958 -3.641 1.00 0.00 C ATOM 1452 C GLU A 93 -7.433 10.285 -5.043 1.00 0.00 C ATOM 1453 O GLU A 93 -7.268 11.433 -5.405 1.00 0.00 O ATOM 1454 CB GLU A 93 -8.455 11.235 -2.971 1.00 0.00 C ATOM 1455 CG GLU A 93 -9.786 10.946 -2.276 1.00 0.00 C ATOM 1456 CD GLU A 93 -10.931 11.102 -3.279 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -10.775 11.872 -4.213 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -11.946 10.449 -3.098 1.00 0.00 O ATOM 0 H GLU A 93 -6.231 10.061 -2.376 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.762 9.238 -3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.724 11.595 -2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.583 12.023 -3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.783 9.936 -1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.927 11.629 -1.438 1.00 0.00 H new ATOM 1465 N GLU A 94 -7.177 9.281 -5.835 1.00 0.00 N ATOM 1466 CA GLU A 94 -6.671 9.529 -7.214 1.00 0.00 C ATOM 1467 C GLU A 94 -7.129 8.402 -8.139 1.00 0.00 C ATOM 1468 O GLU A 94 -7.465 8.623 -9.286 1.00 0.00 O ATOM 1469 CB GLU A 94 -5.143 9.579 -7.197 1.00 0.00 C ATOM 1470 CG GLU A 94 -4.650 10.462 -8.343 1.00 0.00 C ATOM 1471 CD GLU A 94 -3.600 9.704 -9.157 1.00 0.00 C ATOM 1472 OE1 GLU A 94 -3.627 8.484 -9.132 1.00 0.00 O ATOM 1473 OE2 GLU A 94 -2.788 10.355 -9.792 1.00 0.00 O ATOM 0 H GLU A 94 -7.296 8.299 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.064 10.479 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.792 9.973 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.734 8.573 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.486 10.746 -8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.223 11.384 -7.948 1.00 0.00 H new ATOM 1480 N HIS A 95 -7.140 7.193 -7.652 1.00 0.00 N ATOM 1481 CA HIS A 95 -7.570 6.050 -8.503 1.00 0.00 C ATOM 1482 C HIS A 95 -6.613 5.916 -9.687 1.00 0.00 C ATOM 1483 O HIS A 95 -6.646 6.697 -10.617 1.00 0.00 O ATOM 1484 CB HIS A 95 -8.989 6.299 -9.016 1.00 0.00 C ATOM 1485 CG HIS A 95 -9.926 6.438 -7.847 1.00 0.00 C ATOM 1486 ND1 HIS A 95 -10.251 5.368 -7.028 1.00 0.00 N ATOM 1487 CD2 HIS A 95 -10.614 7.516 -7.347 1.00 0.00 C ATOM 1488 CE1 HIS A 95 -11.099 5.821 -6.087 1.00 0.00 C ATOM 1489 NE2 HIS A 95 -11.355 7.124 -6.235 1.00 0.00 N ATOM 0 H HIS A 95 -6.869 6.947 -6.700 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.556 5.131 -7.916 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -9.014 7.202 -9.625 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -9.306 5.475 -9.655 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -10.585 8.516 -7.754 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.522 5.206 -5.306 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -11.962 7.706 -5.658 1.00 0.00 H new ATOM 1497 N GLY A 96 -5.757 4.932 -9.661 1.00 0.00 N ATOM 1498 CA GLY A 96 -4.796 4.748 -10.785 1.00 0.00 C ATOM 1499 C GLY A 96 -3.954 3.494 -10.540 1.00 0.00 C ATOM 1500 O GLY A 96 -2.962 3.527 -9.841 1.00 0.00 O ATOM 0 H GLY A 96 -5.681 4.247 -8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.336 4.657 -11.727 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.150 5.621 -10.871 1.00 0.00 H new ATOM 1504 N LYS A 97 -4.344 2.386 -11.111 1.00 0.00 N ATOM 1505 CA LYS A 97 -3.567 1.129 -10.912 1.00 0.00 C ATOM 1506 C LYS A 97 -2.428 1.066 -11.933 1.00 0.00 C ATOM 1507 O LYS A 97 -1.423 0.441 -11.631 1.00 0.00 O ATOM 1508 CB LYS A 97 -4.486 -0.079 -11.105 1.00 0.00 C ATOM 1509 CG LYS A 97 -5.335 0.120 -12.363 1.00 0.00 C ATOM 1510 CD LYS A 97 -5.220 -1.116 -13.259 1.00 0.00 C ATOM 1511 CE LYS A 97 -5.434 -0.708 -14.717 1.00 0.00 C ATOM 1512 NZ LYS A 97 -4.321 -1.242 -15.552 1.00 0.00 N ATOM 1513 OXT LYS A 97 -2.579 1.644 -12.996 1.00 0.00 O ATOM 0 H LYS A 97 -5.167 2.297 -11.707 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.156 1.116 -9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.893 -0.989 -11.194 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.130 -0.202 -10.234 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.377 0.287 -12.089 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.001 1.006 -12.903 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.239 -1.576 -13.139 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.960 -1.861 -12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.389 -1.092 -15.077 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.476 0.378 -14.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.467 -0.964 -16.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.417 -0.855 -15.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.302 -2.279 -15.482 1.00 0.00 H new