USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 816 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 88 ASN : amide:sc= 2.69 K(o=3.7,f=-3.8!) USER MOD Set 1.2: A 90 THR OG1 : rot -9:sc= 1.01 USER MOD Set 2.1: A 14 MET CE :methyl -179:sc= -0.446 (180deg=-0.448) USER MOD Set 2.2: A 41 CYS SG : rot 60:sc= -0.068 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0208) USER MOD Single : A 25 ASN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= 0.551 (180deg=-0.441!) USER MOD Single : A 36 SER OG : rot 40:sc= 0.0208 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.202 K(o=-0.2,f=-0.81) USER MOD Single : A 44 TYR OH : rot -80:sc= 0.0695 USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 1.21 (180deg=1.17) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 50 SER OG : rot -136:sc= 1.31 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 139:sc= 0.0122 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= 1.03 (180deg=0.949) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.08! K(o=-1.1!,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 42:sc= 0.765 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 38:sc= 1.44 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.298 K(o=0.3,f=-3!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.0377 X(o=0.038,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.5) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 80:sc= -1.31 USER MOD Single : A 99 CYS SG : rot -53:sc= 0.449 USER MOD Single : A 104 ASN : amide:sc= -0.0394 K(o=-0.039,f=-0.55) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 2.01 K(o=2,f=-0.84) USER MOD Single : A 117 LYS NZ :NH3+ 159:sc= -0.025 (180deg=-0.231) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD ----------------------------------------------------------------- ATOM 164 N MET A 14 -2.042 12.778 -0.279 1.00 32.54 N ATOM 165 CA MET A 14 -1.227 12.531 0.902 1.00 5.04 C ATOM 166 C MET A 14 0.230 12.819 0.536 1.00 4.20 C ATOM 167 O MET A 14 0.836 12.064 -0.215 1.00 44.01 O ATOM 168 CB MET A 14 -1.395 11.084 1.410 1.00 22.44 C ATOM 169 CG MET A 14 -2.858 10.658 1.574 1.00 4.32 C ATOM 170 SD MET A 14 -3.153 8.945 2.088 1.00 71.51 S ATOM 171 CE MET A 14 -2.301 8.918 3.681 1.00 33.34 C ATOM 0 HA MET A 14 -1.547 13.184 1.714 1.00 5.04 H new ATOM 0 HB2 MET A 14 -0.903 10.404 0.714 1.00 22.44 H new ATOM 0 HB3 MET A 14 -0.886 10.983 2.369 1.00 22.44 H new ATOM 0 HG2 MET A 14 -3.325 11.318 2.305 1.00 4.32 H new ATOM 0 HG3 MET A 14 -3.369 10.821 0.625 1.00 4.32 H new ATOM 0 HE1 MET A 14 -2.377 7.922 4.117 1.00 33.34 H new ATOM 0 HE2 MET A 14 -1.251 9.172 3.536 1.00 33.34 H new ATOM 0 HE3 MET A 14 -2.761 9.644 4.352 1.00 33.34 H new ATOM 181 N LYS A 15 0.821 13.916 1.023 1.00 25.13 N ATOM 182 CA LYS A 15 2.270 14.074 0.877 1.00 45.23 C ATOM 183 C LYS A 15 2.963 13.100 1.830 1.00 72.12 C ATOM 184 O LYS A 15 2.680 13.075 3.031 1.00 12.42 O ATOM 185 CB LYS A 15 2.735 15.524 1.093 1.00 3.13 C ATOM 186 CG LYS A 15 2.490 16.416 -0.131 1.00 24.34 C ATOM 187 CD LYS A 15 3.060 17.832 0.065 1.00 22.14 C ATOM 188 CE LYS A 15 2.179 18.775 0.904 1.00 42.24 C ATOM 189 NZ LYS A 15 0.978 19.226 0.169 1.00 22.43 N ATOM 0 H LYS A 15 0.342 14.678 1.502 1.00 25.13 H new ATOM 0 HA LYS A 15 2.548 13.839 -0.150 1.00 45.23 H new ATOM 0 HB2 LYS A 15 2.213 15.944 1.953 1.00 3.13 H new ATOM 0 HB3 LYS A 15 3.798 15.528 1.333 1.00 3.13 H new ATOM 0 HG2 LYS A 15 2.946 15.960 -1.009 1.00 24.34 H new ATOM 0 HG3 LYS A 15 1.419 16.480 -0.325 1.00 24.34 H new ATOM 0 HD2 LYS A 15 4.037 17.752 0.541 1.00 22.14 H new ATOM 0 HD3 LYS A 15 3.219 18.283 -0.915 1.00 22.14 H new ATOM 0 HE2 LYS A 15 1.873 18.265 1.817 1.00 42.24 H new ATOM 0 HE3 LYS A 15 2.765 19.643 1.205 1.00 42.24 H new ATOM 0 HZ1 LYS A 15 0.417 19.858 0.775 1.00 22.43 H new ATOM 0 HZ2 LYS A 15 1.268 19.736 -0.690 1.00 22.43 H new ATOM 0 HZ3 LYS A 15 0.403 18.401 -0.096 1.00 22.43 H new ATOM 203 N TRP A 16 3.885 12.315 1.288 1.00 32.52 N ATOM 204 CA TRP A 16 4.741 11.371 1.998 1.00 34.32 C ATOM 205 C TRP A 16 6.161 11.938 1.988 1.00 64.24 C ATOM 206 O TRP A 16 6.527 12.596 1.006 1.00 12.42 O ATOM 207 CB TRP A 16 4.731 10.033 1.250 1.00 72.35 C ATOM 208 CG TRP A 16 3.390 9.418 0.991 1.00 24.54 C ATOM 209 CD1 TRP A 16 2.592 9.673 -0.069 1.00 13.32 C ATOM 210 CD2 TRP A 16 2.651 8.466 1.811 1.00 2.14 C ATOM 211 NE1 TRP A 16 1.424 8.950 0.052 1.00 61.54 N ATOM 212 CE2 TRP A 16 1.353 8.293 1.257 1.00 2.04 C ATOM 213 CE3 TRP A 16 2.938 7.753 2.989 1.00 64.13 C ATOM 214 CZ2 TRP A 16 0.348 7.573 1.921 1.00 45.34 C ATOM 215 CZ3 TRP A 16 1.944 7.028 3.669 1.00 74.11 C ATOM 216 CH2 TRP A 16 0.634 6.991 3.167 1.00 44.13 C ATOM 0 H TRP A 16 4.066 12.320 0.284 1.00 32.52 H new ATOM 0 HA TRP A 16 4.392 11.220 3.019 1.00 34.32 H new ATOM 0 HB2 TRP A 16 5.231 10.175 0.292 1.00 72.35 H new ATOM 0 HB3 TRP A 16 5.328 9.320 1.819 1.00 72.35 H new ATOM 0 HD1 TRP A 16 2.832 10.339 -0.884 1.00 13.32 H new ATOM 0 HE1 TRP A 16 0.701 8.908 -0.666 1.00 61.54 H new ATOM 0 HE3 TRP A 16 3.945 7.763 3.380 1.00 64.13 H new ATOM 0 HZ2 TRP A 16 -0.632 7.468 1.480 1.00 45.34 H new ATOM 0 HZ3 TRP A 16 2.189 6.499 4.578 1.00 74.11 H new ATOM 0 HH2 TRP A 16 -0.151 6.517 3.737 1.00 44.13 H new ATOM 227 N SER A 17 6.983 11.688 3.013 1.00 21.41 N ATOM 228 CA SER A 17 8.420 12.029 2.970 1.00 21.53 C ATOM 229 C SER A 17 9.367 10.827 3.069 1.00 33.52 C ATOM 230 O SER A 17 10.579 11.024 2.957 1.00 70.50 O ATOM 231 CB SER A 17 8.787 13.072 4.032 1.00 62.35 C ATOM 232 OG SER A 17 8.448 14.389 3.641 1.00 31.51 O ATOM 0 H SER A 17 6.683 11.251 3.885 1.00 21.41 H new ATOM 0 HA SER A 17 8.566 12.452 1.976 1.00 21.53 H new ATOM 0 HB2 SER A 17 8.276 12.831 4.964 1.00 62.35 H new ATOM 0 HB3 SER A 17 9.857 13.020 4.232 1.00 62.35 H new ATOM 0 HG SER A 17 8.700 15.016 4.351 1.00 31.51 H new ATOM 238 N LYS A 18 8.870 9.600 3.236 1.00 22.41 N ATOM 239 CA LYS A 18 9.689 8.391 3.172 1.00 34.54 C ATOM 240 C LYS A 18 8.901 7.404 2.333 1.00 71.15 C ATOM 241 O LYS A 18 7.820 7.025 2.774 1.00 23.41 O ATOM 242 CB LYS A 18 9.959 7.843 4.593 1.00 31.34 C ATOM 243 CG LYS A 18 11.438 7.526 4.795 1.00 1.35 C ATOM 244 CD LYS A 18 12.227 8.810 5.102 1.00 12.33 C ATOM 245 CE LYS A 18 13.555 8.878 4.356 1.00 64.51 C ATOM 246 NZ LYS A 18 14.507 7.834 4.784 1.00 33.24 N ATOM 0 H LYS A 18 7.883 9.418 3.420 1.00 22.41 H new ATOM 0 HA LYS A 18 10.667 8.583 2.730 1.00 34.54 H new ATOM 0 HB2 LYS A 18 9.638 8.575 5.334 1.00 31.34 H new ATOM 0 HB3 LYS A 18 9.367 6.943 4.756 1.00 31.34 H new ATOM 0 HG2 LYS A 18 11.555 6.816 5.613 1.00 1.35 H new ATOM 0 HG3 LYS A 18 11.840 7.051 3.900 1.00 1.35 H new ATOM 0 HD2 LYS A 18 11.621 9.676 4.836 1.00 12.33 H new ATOM 0 HD3 LYS A 18 12.414 8.869 6.174 1.00 12.33 H new ATOM 0 HE2 LYS A 18 13.371 8.779 3.286 1.00 64.51 H new ATOM 0 HE3 LYS A 18 14.004 9.859 4.512 1.00 64.51 H new ATOM 0 HZ1 LYS A 18 15.391 7.928 4.244 1.00 33.24 H new ATOM 0 HZ2 LYS A 18 14.708 7.942 5.799 1.00 33.24 H new ATOM 0 HZ3 LYS A 18 14.094 6.895 4.611 1.00 33.24 H new ATOM 260 N VAL A 19 9.357 7.051 1.132 1.00 21.51 N ATOM 261 CA VAL A 19 8.665 6.099 0.261 1.00 30.30 C ATOM 262 C VAL A 19 9.704 5.230 -0.468 1.00 73.22 C ATOM 263 O VAL A 19 10.820 5.701 -0.714 1.00 4.32 O ATOM 264 CB VAL A 19 7.708 6.837 -0.704 1.00 21.52 C ATOM 265 CG1 VAL A 19 6.644 7.672 0.010 1.00 3.01 C ATOM 266 CG2 VAL A 19 8.430 7.746 -1.713 1.00 22.14 C ATOM 0 H VAL A 19 10.221 7.418 0.733 1.00 21.51 H new ATOM 0 HA VAL A 19 8.039 5.434 0.856 1.00 30.30 H new ATOM 0 HB VAL A 19 7.223 6.022 -1.241 1.00 21.52 H new ATOM 0 HG11 VAL A 19 6.009 8.161 -0.729 1.00 3.01 H new ATOM 0 HG12 VAL A 19 6.035 7.024 0.640 1.00 3.01 H new ATOM 0 HG13 VAL A 19 7.129 8.427 0.628 1.00 3.01 H new ATOM 0 HG21 VAL A 19 7.696 8.230 -2.357 1.00 22.14 H new ATOM 0 HG22 VAL A 19 8.999 8.505 -1.176 1.00 22.14 H new ATOM 0 HG23 VAL A 19 9.107 7.147 -2.322 1.00 22.14 H new ATOM 276 N PRO A 20 9.381 3.972 -0.810 1.00 42.34 N ATOM 277 CA PRO A 20 10.310 3.056 -1.458 1.00 51.34 C ATOM 278 C PRO A 20 10.702 3.527 -2.861 1.00 63.11 C ATOM 279 O PRO A 20 9.895 4.067 -3.626 1.00 10.04 O ATOM 280 CB PRO A 20 9.594 1.701 -1.489 1.00 63.14 C ATOM 281 CG PRO A 20 8.121 2.061 -1.382 1.00 3.30 C ATOM 282 CD PRO A 20 8.134 3.294 -0.504 1.00 14.32 C ATOM 0 HA PRO A 20 11.252 2.998 -0.912 1.00 51.34 H new ATOM 0 HB2 PRO A 20 9.806 1.158 -2.410 1.00 63.14 H new ATOM 0 HB3 PRO A 20 9.910 1.063 -0.663 1.00 63.14 H new ATOM 0 HG2 PRO A 20 7.684 2.266 -2.359 1.00 3.30 H new ATOM 0 HG3 PRO A 20 7.540 1.254 -0.936 1.00 3.30 H new ATOM 0 HD2 PRO A 20 7.277 3.934 -0.713 1.00 14.32 H new ATOM 0 HD3 PRO A 20 8.081 3.026 0.551 1.00 14.32 H new ATOM 290 N SER A 21 11.946 3.252 -3.240 1.00 10.03 N ATOM 291 CA SER A 21 12.462 3.541 -4.570 1.00 5.35 C ATOM 292 C SER A 21 11.895 2.605 -5.639 1.00 3.02 C ATOM 293 O SER A 21 12.049 2.896 -6.823 1.00 72.44 O ATOM 294 CB SER A 21 13.986 3.439 -4.552 1.00 3.43 C ATOM 295 OG SER A 21 14.546 4.346 -3.615 1.00 52.10 O ATOM 0 H SER A 21 12.631 2.817 -2.623 1.00 10.03 H new ATOM 0 HA SER A 21 12.148 4.552 -4.831 1.00 5.35 H new ATOM 0 HB2 SER A 21 14.283 2.421 -4.300 1.00 3.43 H new ATOM 0 HB3 SER A 21 14.380 3.649 -5.546 1.00 3.43 H new ATOM 0 HG SER A 21 15.522 4.261 -3.621 1.00 52.10 H new ATOM 301 N GLY A 22 11.249 1.499 -5.259 1.00 1.44 N ATOM 302 CA GLY A 22 10.670 0.568 -6.218 1.00 44.31 C ATOM 303 C GLY A 22 9.530 1.188 -7.025 1.00 31.35 C ATOM 304 O GLY A 22 9.353 0.871 -8.197 1.00 44.33 O ATOM 0 H GLY A 22 11.116 1.229 -4.284 1.00 1.44 H new ATOM 0 HA2 GLY A 22 11.448 0.224 -6.900 1.00 44.31 H new ATOM 0 HA3 GLY A 22 10.300 -0.310 -5.688 1.00 44.31 H new ATOM 308 N LEU A 23 8.727 2.050 -6.394 1.00 53.21 N ATOM 309 CA LEU A 23 7.508 2.618 -6.962 1.00 70.35 C ATOM 310 C LEU A 23 7.784 3.261 -8.313 1.00 71.54 C ATOM 311 O LEU A 23 8.665 4.114 -8.418 1.00 11.40 O ATOM 312 CB LEU A 23 6.901 3.632 -5.985 1.00 30.33 C ATOM 313 CG LEU A 23 5.641 4.366 -6.496 1.00 41.45 C ATOM 314 CD1 LEU A 23 4.611 4.567 -5.383 1.00 73.52 C ATOM 315 CD2 LEU A 23 5.978 5.753 -7.061 1.00 22.14 C ATOM 0 H LEU A 23 8.915 2.379 -5.447 1.00 53.21 H new ATOM 0 HA LEU A 23 6.790 1.814 -7.122 1.00 70.35 H new ATOM 0 HB2 LEU A 23 6.650 3.115 -5.059 1.00 30.33 H new ATOM 0 HB3 LEU A 23 7.660 4.375 -5.739 1.00 30.33 H new ATOM 0 HG LEU A 23 5.230 3.730 -7.280 1.00 41.45 H new ATOM 0 HD11 LEU A 23 3.740 5.086 -5.783 1.00 73.52 H new ATOM 0 HD12 LEU A 23 4.306 3.597 -4.990 1.00 73.52 H new ATOM 0 HD13 LEU A 23 5.052 5.161 -4.582 1.00 73.52 H new ATOM 0 HD21 LEU A 23 5.065 6.236 -7.409 1.00 22.14 H new ATOM 0 HD22 LEU A 23 6.436 6.362 -6.281 1.00 22.14 H new ATOM 0 HD23 LEU A 23 6.673 5.648 -7.894 1.00 22.14 H new ATOM 327 N LYS A 24 6.968 2.899 -9.299 1.00 44.04 N ATOM 328 CA LYS A 24 6.789 3.609 -10.552 1.00 64.23 C ATOM 329 C LYS A 24 5.332 4.022 -10.593 1.00 21.31 C ATOM 330 O LYS A 24 4.473 3.177 -10.854 1.00 42.35 O ATOM 331 CB LYS A 24 7.107 2.701 -11.744 1.00 11.01 C ATOM 332 CG LYS A 24 8.603 2.519 -11.985 1.00 41.31 C ATOM 333 CD LYS A 24 8.783 1.555 -13.163 1.00 62.11 C ATOM 334 CE LYS A 24 10.247 1.466 -13.581 1.00 42.30 C ATOM 335 NZ LYS A 24 10.716 2.675 -14.282 1.00 50.44 N ATOM 0 H LYS A 24 6.388 2.062 -9.238 1.00 44.04 H new ATOM 0 HA LYS A 24 7.458 4.467 -10.614 1.00 64.23 H new ATOM 0 HB2 LYS A 24 6.652 1.725 -11.579 1.00 11.01 H new ATOM 0 HB3 LYS A 24 6.650 3.118 -12.641 1.00 11.01 H new ATOM 0 HG2 LYS A 24 9.073 3.478 -12.203 1.00 41.31 H new ATOM 0 HG3 LYS A 24 9.087 2.123 -11.092 1.00 41.31 H new ATOM 0 HD2 LYS A 24 8.420 0.565 -12.886 1.00 62.11 H new ATOM 0 HD3 LYS A 24 8.180 1.891 -14.007 1.00 62.11 H new ATOM 0 HE2 LYS A 24 10.863 1.302 -12.697 1.00 42.30 H new ATOM 0 HE3 LYS A 24 10.383 0.600 -14.229 1.00 42.30 H new ATOM 0 HZ1 LYS A 24 11.689 2.527 -14.617 1.00 50.44 H new ATOM 0 HZ2 LYS A 24 10.096 2.868 -15.094 1.00 50.44 H new ATOM 0 HZ3 LYS A 24 10.694 3.485 -13.630 1.00 50.44 H new ATOM 349 N ASN A 25 5.050 5.292 -10.311 1.00 13.33 N ATOM 350 CA ASN A 25 3.736 5.917 -10.482 1.00 23.12 C ATOM 351 C ASN A 25 2.613 5.301 -9.622 1.00 73.12 C ATOM 352 O ASN A 25 1.444 5.618 -9.829 1.00 33.52 O ATOM 353 CB ASN A 25 3.381 5.944 -11.983 1.00 25.41 C ATOM 354 CG ASN A 25 2.751 7.255 -12.411 1.00 24.11 C ATOM 355 OD1 ASN A 25 3.211 7.861 -13.374 1.00 12.34 O ATOM 356 ND2 ASN A 25 1.711 7.694 -11.726 1.00 4.34 N ATOM 0 H ASN A 25 5.751 5.937 -9.945 1.00 13.33 H new ATOM 0 HA ASN A 25 3.813 6.937 -10.105 1.00 23.12 H new ATOM 0 HB2 ASN A 25 4.284 5.771 -12.569 1.00 25.41 H new ATOM 0 HB3 ASN A 25 2.695 5.126 -12.205 1.00 25.41 H new ATOM 0 HD21 ASN A 25 1.258 8.569 -11.991 1.00 4.34 H new ATOM 0 HD22 ASN A 25 1.361 7.159 -10.932 1.00 4.34 H new ATOM 363 N GLY A 26 2.952 4.427 -8.668 1.00 74.11 N ATOM 364 CA GLY A 26 2.035 3.673 -7.813 1.00 53.14 C ATOM 365 C GLY A 26 2.341 2.171 -7.839 1.00 5.11 C ATOM 366 O GLY A 26 2.102 1.461 -6.862 1.00 43.34 O ATOM 0 H GLY A 26 3.929 4.217 -8.462 1.00 74.11 H new ATOM 0 HA2 GLY A 26 2.106 4.041 -6.790 1.00 53.14 H new ATOM 0 HA3 GLY A 26 1.009 3.841 -8.142 1.00 53.14 H new ATOM 370 N GLU A 27 2.929 1.672 -8.926 1.00 62.14 N ATOM 371 CA GLU A 27 3.198 0.260 -9.151 1.00 53.14 C ATOM 372 C GLU A 27 4.500 -0.111 -8.443 1.00 12.02 C ATOM 373 O GLU A 27 5.530 0.530 -8.674 1.00 61.33 O ATOM 374 CB GLU A 27 3.331 0.004 -10.658 1.00 43.33 C ATOM 375 CG GLU A 27 3.124 -1.476 -11.035 1.00 11.21 C ATOM 376 CD GLU A 27 4.056 -1.909 -12.185 1.00 31.14 C ATOM 377 OE1 GLU A 27 4.322 -1.087 -13.090 1.00 21.13 O ATOM 378 OE2 GLU A 27 4.551 -3.067 -12.182 1.00 72.24 O ATOM 0 H GLU A 27 3.240 2.263 -9.697 1.00 62.14 H new ATOM 0 HA GLU A 27 2.382 -0.347 -8.757 1.00 53.14 H new ATOM 0 HB2 GLU A 27 2.602 0.615 -11.191 1.00 43.33 H new ATOM 0 HB3 GLU A 27 4.319 0.324 -10.990 1.00 43.33 H new ATOM 0 HG2 GLU A 27 3.308 -2.103 -10.162 1.00 11.21 H new ATOM 0 HG3 GLU A 27 2.086 -1.635 -11.328 1.00 11.21 H new ATOM 385 N LEU A 28 4.476 -1.137 -7.597 1.00 4.01 N ATOM 386 CA LEU A 28 5.622 -1.626 -6.842 1.00 62.34 C ATOM 387 C LEU A 28 5.892 -3.014 -7.382 1.00 65.21 C ATOM 388 O LEU A 28 5.184 -3.971 -7.046 1.00 62.31 O ATOM 389 CB LEU A 28 5.375 -1.691 -5.319 1.00 34.22 C ATOM 390 CG LEU A 28 5.538 -0.406 -4.482 1.00 1.42 C ATOM 391 CD1 LEU A 28 7.006 0.025 -4.471 1.00 25.20 C ATOM 392 CD2 LEU A 28 4.617 0.769 -4.849 1.00 52.31 C ATOM 0 H LEU A 28 3.626 -1.669 -7.413 1.00 4.01 H new ATOM 0 HA LEU A 28 6.463 -0.943 -6.964 1.00 62.34 H new ATOM 0 HB2 LEU A 28 4.360 -2.058 -5.165 1.00 34.22 H new ATOM 0 HB3 LEU A 28 6.051 -2.440 -4.907 1.00 34.22 H new ATOM 0 HG LEU A 28 5.208 -0.681 -3.480 1.00 1.42 H new ATOM 0 HD11 LEU A 28 7.114 0.933 -3.878 1.00 25.20 H new ATOM 0 HD12 LEU A 28 7.615 -0.767 -4.035 1.00 25.20 H new ATOM 0 HD13 LEU A 28 7.337 0.217 -5.492 1.00 25.20 H new ATOM 0 HD21 LEU A 28 4.825 1.613 -4.192 1.00 52.31 H new ATOM 0 HD22 LEU A 28 4.795 1.062 -5.884 1.00 52.31 H new ATOM 0 HD23 LEU A 28 3.577 0.466 -4.732 1.00 52.31 H new ATOM 404 N LYS A 29 6.891 -3.125 -8.255 1.00 62.24 N ATOM 405 CA LYS A 29 7.318 -4.449 -8.672 1.00 22.14 C ATOM 406 C LYS A 29 7.983 -5.101 -7.471 1.00 32.52 C ATOM 407 O LYS A 29 8.744 -4.452 -6.750 1.00 71.31 O ATOM 408 CB LYS A 29 8.238 -4.390 -9.900 1.00 32.11 C ATOM 409 CG LYS A 29 8.589 -5.784 -10.453 1.00 25.43 C ATOM 410 CD LYS A 29 7.378 -6.507 -11.056 1.00 51.02 C ATOM 411 CE LYS A 29 7.617 -8.009 -11.242 1.00 31.34 C ATOM 412 NZ LYS A 29 8.435 -8.335 -12.428 1.00 52.33 N ATOM 0 H LYS A 29 7.400 -2.345 -8.671 1.00 62.24 H new ATOM 0 HA LYS A 29 6.465 -5.048 -8.991 1.00 22.14 H new ATOM 0 HB2 LYS A 29 7.754 -3.805 -10.683 1.00 32.11 H new ATOM 0 HB3 LYS A 29 9.157 -3.868 -9.634 1.00 32.11 H new ATOM 0 HG2 LYS A 29 9.362 -5.683 -11.214 1.00 25.43 H new ATOM 0 HG3 LYS A 29 9.008 -6.393 -9.652 1.00 25.43 H new ATOM 0 HD2 LYS A 29 6.513 -6.358 -10.410 1.00 51.02 H new ATOM 0 HD3 LYS A 29 7.136 -6.060 -12.020 1.00 51.02 H new ATOM 0 HE2 LYS A 29 8.108 -8.403 -10.352 1.00 31.34 H new ATOM 0 HE3 LYS A 29 6.655 -8.514 -11.325 1.00 31.34 H new ATOM 0 HZ1 LYS A 29 8.245 -9.314 -12.722 1.00 52.33 H new ATOM 0 HZ2 LYS A 29 8.194 -7.687 -13.205 1.00 52.33 H new ATOM 0 HZ3 LYS A 29 9.443 -8.234 -12.193 1.00 52.33 H new ATOM 426 N VAL A 30 7.687 -6.369 -7.256 1.00 43.15 N ATOM 427 CA VAL A 30 8.249 -7.203 -6.221 1.00 73.52 C ATOM 428 C VAL A 30 8.766 -8.427 -6.952 1.00 32.35 C ATOM 429 O VAL A 30 8.279 -8.781 -8.033 1.00 12.24 O ATOM 430 CB VAL A 30 7.150 -7.510 -5.186 1.00 53.41 C ATOM 431 CG1 VAL A 30 7.582 -8.499 -4.099 1.00 10.24 C ATOM 432 CG2 VAL A 30 6.665 -6.232 -4.498 1.00 52.35 C ATOM 0 H VAL A 30 7.010 -6.868 -7.833 1.00 43.15 H new ATOM 0 HA VAL A 30 9.062 -6.746 -5.658 1.00 73.52 H new ATOM 0 HB VAL A 30 6.347 -7.970 -5.763 1.00 53.41 H new ATOM 0 HG11 VAL A 30 6.755 -8.665 -3.408 1.00 10.24 H new ATOM 0 HG12 VAL A 30 7.865 -9.445 -4.560 1.00 10.24 H new ATOM 0 HG13 VAL A 30 8.434 -8.092 -3.554 1.00 10.24 H new ATOM 0 HG21 VAL A 30 5.890 -6.481 -3.773 1.00 52.35 H new ATOM 0 HG22 VAL A 30 7.501 -5.755 -3.986 1.00 52.35 H new ATOM 0 HG23 VAL A 30 6.259 -5.549 -5.244 1.00 52.35 H new ATOM 442 N GLU A 31 9.748 -9.092 -6.364 1.00 5.13 N ATOM 443 CA GLU A 31 10.369 -10.233 -7.007 1.00 14.03 C ATOM 444 C GLU A 31 10.103 -11.476 -6.175 1.00 13.03 C ATOM 445 O GLU A 31 9.480 -11.385 -5.114 1.00 1.22 O ATOM 446 CB GLU A 31 11.842 -9.948 -7.271 1.00 53.22 C ATOM 447 CG GLU A 31 12.647 -9.785 -5.985 1.00 12.32 C ATOM 448 CD GLU A 31 14.056 -9.333 -6.350 1.00 13.35 C ATOM 449 OE1 GLU A 31 14.848 -10.172 -6.816 1.00 64.23 O ATOM 450 OE2 GLU A 31 14.338 -8.113 -6.324 1.00 12.41 O ATOM 0 H GLU A 31 10.129 -8.861 -5.447 1.00 5.13 H new ATOM 0 HA GLU A 31 9.933 -10.420 -7.988 1.00 14.03 H new ATOM 0 HB2 GLU A 31 12.266 -10.761 -7.860 1.00 53.22 H new ATOM 0 HB3 GLU A 31 11.931 -9.041 -7.869 1.00 53.22 H new ATOM 0 HG2 GLU A 31 12.172 -9.054 -5.331 1.00 12.32 H new ATOM 0 HG3 GLU A 31 12.681 -10.727 -5.438 1.00 12.32 H new ATOM 457 N ALA A 32 10.571 -12.635 -6.634 1.00 25.41 N ATOM 458 CA ALA A 32 10.277 -13.904 -5.985 1.00 65.34 C ATOM 459 C ALA A 32 10.848 -14.021 -4.569 1.00 11.15 C ATOM 460 O ALA A 32 10.598 -15.021 -3.920 1.00 25.12 O ATOM 461 CB ALA A 32 10.814 -15.048 -6.840 1.00 14.42 C ATOM 0 H ALA A 32 11.161 -12.717 -7.462 1.00 25.41 H new ATOM 0 HA ALA A 32 9.193 -13.958 -5.890 1.00 65.34 H new ATOM 0 HB1 ALA A 32 10.594 -15.999 -6.355 1.00 14.42 H new ATOM 0 HB2 ALA A 32 10.339 -15.023 -7.821 1.00 14.42 H new ATOM 0 HB3 ALA A 32 11.892 -14.940 -6.956 1.00 14.42 H new ATOM 467 N GLU A 33 11.603 -13.043 -4.087 1.00 53.42 N ATOM 468 CA GLU A 33 12.254 -13.001 -2.784 1.00 62.22 C ATOM 469 C GLU A 33 11.432 -12.152 -1.818 1.00 4.35 C ATOM 470 O GLU A 33 11.474 -12.356 -0.607 1.00 64.52 O ATOM 471 CB GLU A 33 13.610 -12.320 -2.965 1.00 45.22 C ATOM 472 CG GLU A 33 14.398 -12.722 -4.218 1.00 21.35 C ATOM 473 CD GLU A 33 14.842 -14.178 -4.206 1.00 21.31 C ATOM 474 OE1 GLU A 33 15.798 -14.511 -3.467 1.00 51.40 O ATOM 475 OE2 GLU A 33 14.250 -15.003 -4.947 1.00 21.53 O ATOM 0 H GLU A 33 11.789 -12.201 -4.632 1.00 53.42 H new ATOM 0 HA GLU A 33 12.356 -14.012 -2.389 1.00 62.22 H new ATOM 0 HB2 GLU A 33 13.453 -11.242 -2.988 1.00 45.22 H new ATOM 0 HB3 GLU A 33 14.223 -12.534 -2.089 1.00 45.22 H new ATOM 0 HG2 GLU A 33 13.782 -12.544 -5.099 1.00 21.35 H new ATOM 0 HG3 GLU A 33 15.276 -12.082 -4.308 1.00 21.35 H new ATOM 482 N GLY A 34 10.678 -11.202 -2.366 1.00 25.41 N ATOM 483 CA GLY A 34 9.819 -10.303 -1.636 1.00 41.32 C ATOM 484 C GLY A 34 10.484 -8.939 -1.525 1.00 32.34 C ATOM 485 O GLY A 34 11.239 -8.536 -2.409 1.00 12.23 O ATOM 0 H GLY A 34 10.655 -11.040 -3.373 1.00 25.41 H new ATOM 0 HA2 GLY A 34 8.858 -10.210 -2.143 1.00 41.32 H new ATOM 0 HA3 GLY A 34 9.618 -10.703 -0.642 1.00 41.32 H new ATOM 489 N GLY A 35 10.139 -8.227 -0.461 1.00 64.44 N ATOM 490 CA GLY A 35 10.745 -6.975 -0.028 1.00 53.13 C ATOM 491 C GLY A 35 10.061 -6.438 1.232 1.00 14.44 C ATOM 492 O GLY A 35 9.034 -6.968 1.669 1.00 42.23 O ATOM 0 H GLY A 35 9.385 -8.525 0.159 1.00 64.44 H new ATOM 0 HA2 GLY A 35 11.806 -7.130 0.168 1.00 53.13 H new ATOM 0 HA3 GLY A 35 10.673 -6.237 -0.827 1.00 53.13 H new ATOM 496 N SER A 36 10.590 -5.356 1.806 1.00 4.04 N ATOM 497 CA SER A 36 10.046 -4.678 2.981 1.00 41.04 C ATOM 498 C SER A 36 10.137 -3.172 2.727 1.00 54.23 C ATOM 499 O SER A 36 11.220 -2.659 2.439 1.00 22.31 O ATOM 500 CB SER A 36 10.768 -5.137 4.254 1.00 23.25 C ATOM 501 OG SER A 36 12.173 -4.994 4.196 1.00 65.23 O ATOM 0 H SER A 36 11.438 -4.913 1.452 1.00 4.04 H new ATOM 0 HA SER A 36 8.999 -4.935 3.143 1.00 41.04 H new ATOM 0 HB2 SER A 36 10.389 -4.566 5.102 1.00 23.25 H new ATOM 0 HB3 SER A 36 10.526 -6.183 4.441 1.00 23.25 H new ATOM 0 HG SER A 36 12.398 -4.148 3.756 1.00 65.23 H new ATOM 507 N SER A 37 9.011 -2.453 2.734 1.00 64.21 N ATOM 508 CA SER A 37 8.931 -1.084 2.239 1.00 5.42 C ATOM 509 C SER A 37 8.149 -0.217 3.228 1.00 25.33 C ATOM 510 O SER A 37 7.178 -0.687 3.828 1.00 32.10 O ATOM 511 CB SER A 37 8.273 -1.108 0.861 1.00 74.53 C ATOM 512 OG SER A 37 9.031 -1.893 -0.047 1.00 50.14 O ATOM 0 H SER A 37 8.124 -2.812 3.087 1.00 64.21 H new ATOM 0 HA SER A 37 9.926 -0.649 2.145 1.00 5.42 H new ATOM 0 HB2 SER A 37 7.264 -1.511 0.942 1.00 74.53 H new ATOM 0 HB3 SER A 37 8.180 -0.091 0.480 1.00 74.53 H new ATOM 0 HG SER A 37 8.591 -1.896 -0.923 1.00 50.14 H new ATOM 518 N LEU A 38 8.563 1.044 3.375 1.00 2.11 N ATOM 519 CA LEU A 38 8.047 2.036 4.315 1.00 3.14 C ATOM 520 C LEU A 38 7.519 3.224 3.529 1.00 34.12 C ATOM 521 O LEU A 38 8.253 3.823 2.744 1.00 52.22 O ATOM 522 CB LEU A 38 9.180 2.501 5.251 1.00 74.15 C ATOM 523 CG LEU A 38 8.953 3.834 5.996 1.00 11.34 C ATOM 524 CD1 LEU A 38 7.765 3.777 6.948 1.00 25.54 C ATOM 525 CD2 LEU A 38 10.193 4.215 6.813 1.00 44.14 C ATOM 0 H LEU A 38 9.317 1.422 2.802 1.00 2.11 H new ATOM 0 HA LEU A 38 7.247 1.599 4.913 1.00 3.14 H new ATOM 0 HB2 LEU A 38 9.352 1.721 5.992 1.00 74.15 H new ATOM 0 HB3 LEU A 38 10.094 2.590 4.663 1.00 74.15 H new ATOM 0 HG LEU A 38 8.752 4.578 5.225 1.00 11.34 H new ATOM 0 HD11 LEU A 38 7.651 4.740 7.445 1.00 25.54 H new ATOM 0 HD12 LEU A 38 6.859 3.549 6.386 1.00 25.54 H new ATOM 0 HD13 LEU A 38 7.934 3.001 7.695 1.00 25.54 H new ATOM 0 HD21 LEU A 38 10.012 5.157 7.330 1.00 44.14 H new ATOM 0 HD22 LEU A 38 10.401 3.434 7.544 1.00 44.14 H new ATOM 0 HD23 LEU A 38 11.048 4.325 6.146 1.00 44.14 H new ATOM 537 N PHE A 39 6.284 3.593 3.827 1.00 61.12 N ATOM 538 CA PHE A 39 5.566 4.749 3.331 1.00 1.14 C ATOM 539 C PHE A 39 5.220 5.577 4.573 1.00 64.45 C ATOM 540 O PHE A 39 4.244 5.291 5.271 1.00 51.35 O ATOM 541 CB PHE A 39 4.330 4.313 2.529 1.00 11.10 C ATOM 542 CG PHE A 39 4.601 3.379 1.363 1.00 50.43 C ATOM 543 CD1 PHE A 39 4.845 2.011 1.596 1.00 45.23 C ATOM 544 CD2 PHE A 39 4.564 3.862 0.042 1.00 50.44 C ATOM 545 CE1 PHE A 39 5.055 1.135 0.519 1.00 22.14 C ATOM 546 CE2 PHE A 39 4.738 2.979 -1.038 1.00 11.12 C ATOM 547 CZ PHE A 39 4.964 1.612 -0.801 1.00 12.32 C ATOM 0 H PHE A 39 5.715 3.046 4.474 1.00 61.12 H new ATOM 0 HA PHE A 39 6.155 5.346 2.635 1.00 1.14 H new ATOM 0 HB2 PHE A 39 3.632 3.824 3.209 1.00 11.10 H new ATOM 0 HB3 PHE A 39 3.832 5.205 2.149 1.00 11.10 H new ATOM 0 HD1 PHE A 39 4.871 1.634 2.608 1.00 45.23 H new ATOM 0 HD2 PHE A 39 4.402 4.914 -0.143 1.00 50.44 H new ATOM 0 HE1 PHE A 39 5.286 0.096 0.704 1.00 22.14 H new ATOM 0 HE2 PHE A 39 4.698 3.351 -2.051 1.00 11.12 H new ATOM 0 HZ PHE A 39 5.068 0.929 -1.631 1.00 12.32 H new ATOM 557 N ALA A 40 6.075 6.539 4.924 1.00 52.31 N ATOM 558 CA ALA A 40 5.843 7.444 6.042 1.00 64.13 C ATOM 559 C ALA A 40 5.006 8.626 5.561 1.00 3.43 C ATOM 560 O ALA A 40 5.444 9.357 4.661 1.00 3.23 O ATOM 561 CB ALA A 40 7.177 7.911 6.623 1.00 64.44 C ATOM 0 H ALA A 40 6.953 6.710 4.434 1.00 52.31 H new ATOM 0 HA ALA A 40 5.299 6.927 6.832 1.00 64.13 H new ATOM 0 HB1 ALA A 40 6.993 8.587 7.458 1.00 64.44 H new ATOM 0 HB2 ALA A 40 7.744 7.048 6.973 1.00 64.44 H new ATOM 0 HB3 ALA A 40 7.747 8.432 5.853 1.00 64.44 H new ATOM 567 N CYS A 41 3.788 8.793 6.092 1.00 33.53 N ATOM 568 CA CYS A 41 2.942 9.887 5.653 1.00 50.41 C ATOM 569 C CYS A 41 3.400 11.135 6.384 1.00 52.11 C ATOM 570 O CYS A 41 3.493 11.129 7.620 1.00 43.02 O ATOM 571 CB CYS A 41 1.469 9.604 5.930 1.00 51.45 C ATOM 572 SG CYS A 41 0.486 10.901 5.135 1.00 53.25 S ATOM 0 H CYS A 41 3.381 8.194 6.810 1.00 33.53 H new ATOM 0 HA CYS A 41 3.032 10.018 4.575 1.00 50.41 H new ATOM 0 HB2 CYS A 41 1.190 8.624 5.542 1.00 51.45 H new ATOM 0 HB3 CYS A 41 1.280 9.588 7.003 1.00 51.45 H new ATOM 0 HG CYS A 41 0.711 10.893 3.855 1.00 53.25 H new ATOM 578 N LYS A 42 3.633 12.208 5.629 1.00 50.21 N ATOM 579 CA LYS A 42 4.094 13.481 6.161 1.00 74.22 C ATOM 580 C LYS A 42 2.962 14.483 6.347 1.00 12.02 C ATOM 581 O LYS A 42 3.225 15.640 6.683 1.00 1.11 O ATOM 582 CB LYS A 42 5.143 14.085 5.211 1.00 44.02 C ATOM 583 CG LYS A 42 6.149 14.880 6.044 1.00 24.51 C ATOM 584 CD LYS A 42 6.480 16.278 5.553 1.00 12.32 C ATOM 585 CE LYS A 42 7.461 16.776 6.611 1.00 73.35 C ATOM 586 NZ LYS A 42 7.640 18.228 6.559 1.00 25.50 N ATOM 0 H LYS A 42 3.504 12.213 4.617 1.00 50.21 H new ATOM 0 HA LYS A 42 4.525 13.281 7.142 1.00 74.22 H new ATOM 0 HB2 LYS A 42 5.650 13.296 4.656 1.00 44.02 H new ATOM 0 HB3 LYS A 42 4.662 14.733 4.478 1.00 44.02 H new ATOM 0 HG2 LYS A 42 5.764 14.958 7.061 1.00 24.51 H new ATOM 0 HG3 LYS A 42 7.076 14.309 6.097 1.00 24.51 H new ATOM 0 HD2 LYS A 42 6.928 16.264 4.559 1.00 12.32 H new ATOM 0 HD3 LYS A 42 5.593 16.908 5.494 1.00 12.32 H new ATOM 0 HE2 LYS A 42 7.102 16.491 7.600 1.00 73.35 H new ATOM 0 HE3 LYS A 42 8.425 16.287 6.469 1.00 73.35 H new ATOM 0 HZ1 LYS A 42 8.314 18.521 7.295 1.00 25.50 H new ATOM 0 HZ2 LYS A 42 8.008 18.499 5.625 1.00 25.50 H new ATOM 0 HZ3 LYS A 42 6.726 18.697 6.721 1.00 25.50 H new ATOM 600 N ASN A 43 1.737 14.112 5.975 1.00 63.53 N ATOM 601 CA ASN A 43 0.680 15.100 5.751 1.00 43.24 C ATOM 602 C ASN A 43 -0.706 14.670 6.223 1.00 10.41 C ATOM 603 O ASN A 43 -1.666 15.412 6.036 1.00 3.14 O ATOM 604 CB ASN A 43 0.686 15.435 4.261 1.00 43.32 C ATOM 605 CG ASN A 43 0.262 16.864 3.998 1.00 11.20 C ATOM 606 OD1 ASN A 43 1.098 17.764 4.058 1.00 70.55 O ATOM 607 ND2 ASN A 43 -0.988 17.106 3.679 1.00 10.12 N ATOM 0 H ASN A 43 1.453 13.144 5.823 1.00 63.53 H new ATOM 0 HA ASN A 43 0.897 15.977 6.361 1.00 43.24 H new ATOM 0 HB2 ASN A 43 1.686 15.274 3.857 1.00 43.32 H new ATOM 0 HB3 ASN A 43 0.016 14.756 3.734 1.00 43.32 H new ATOM 0 HD21 ASN A 43 -1.286 18.059 3.473 1.00 10.12 H new ATOM 0 HD22 ASN A 43 -1.661 16.341 3.637 1.00 10.12 H new ATOM 614 N TYR A 44 -0.831 13.468 6.785 1.00 45.42 N ATOM 615 CA TYR A 44 -2.059 12.912 7.330 1.00 2.11 C ATOM 616 C TYR A 44 -1.658 11.958 8.464 1.00 65.14 C ATOM 617 O TYR A 44 -0.758 11.130 8.290 1.00 52.14 O ATOM 618 CB TYR A 44 -2.853 12.193 6.219 1.00 41.21 C ATOM 619 CG TYR A 44 -3.628 13.108 5.278 1.00 53.01 C ATOM 620 CD1 TYR A 44 -4.942 13.510 5.593 1.00 64.41 C ATOM 621 CD2 TYR A 44 -3.041 13.557 4.079 1.00 64.51 C ATOM 622 CE1 TYR A 44 -5.665 14.349 4.723 1.00 32.24 C ATOM 623 CE2 TYR A 44 -3.741 14.426 3.221 1.00 70.25 C ATOM 624 CZ TYR A 44 -5.060 14.820 3.535 1.00 11.31 C ATOM 625 OH TYR A 44 -5.701 15.709 2.727 1.00 32.30 O ATOM 0 H TYR A 44 -0.040 12.830 6.874 1.00 45.42 H new ATOM 0 HA TYR A 44 -2.712 13.691 7.723 1.00 2.11 H new ATOM 0 HB2 TYR A 44 -2.159 11.595 5.628 1.00 41.21 H new ATOM 0 HB3 TYR A 44 -3.554 11.501 6.686 1.00 41.21 H new ATOM 0 HD1 TYR A 44 -5.399 13.171 6.511 1.00 64.41 H new ATOM 0 HD2 TYR A 44 -2.045 13.232 3.816 1.00 64.51 H new ATOM 0 HE1 TYR A 44 -6.679 14.632 4.963 1.00 32.24 H new ATOM 0 HE2 TYR A 44 -3.269 14.792 2.321 1.00 70.25 H new ATOM 0 HH TYR A 44 -6.351 15.234 2.169 1.00 32.30 H new ATOM 635 N LYS A 45 -2.287 12.087 9.633 1.00 51.02 N ATOM 636 CA LYS A 45 -2.132 11.264 10.831 1.00 41.33 C ATOM 637 C LYS A 45 -3.491 10.679 11.210 1.00 71.24 C ATOM 638 O LYS A 45 -3.964 10.811 12.340 1.00 54.13 O ATOM 639 CB LYS A 45 -1.537 12.106 11.967 1.00 43.11 C ATOM 640 CG LYS A 45 -0.018 12.086 11.914 1.00 71.22 C ATOM 641 CD LYS A 45 0.527 12.699 13.215 1.00 12.31 C ATOM 642 CE LYS A 45 1.923 12.248 13.648 1.00 44.12 C ATOM 643 NZ LYS A 45 1.870 11.111 14.587 1.00 14.14 N ATOM 0 H LYS A 45 -2.972 12.829 9.777 1.00 51.02 H new ATOM 0 HA LYS A 45 -1.445 10.440 10.640 1.00 41.33 H new ATOM 0 HB2 LYS A 45 -1.895 13.133 11.891 1.00 43.11 H new ATOM 0 HB3 LYS A 45 -1.877 11.721 12.928 1.00 43.11 H new ATOM 0 HG2 LYS A 45 0.343 11.064 11.797 1.00 71.22 H new ATOM 0 HG3 LYS A 45 0.338 12.650 11.052 1.00 71.22 H new ATOM 0 HD2 LYS A 45 0.538 13.783 13.103 1.00 12.31 H new ATOM 0 HD3 LYS A 45 -0.171 12.469 14.020 1.00 12.31 H new ATOM 0 HE2 LYS A 45 2.502 11.965 12.769 1.00 44.12 H new ATOM 0 HE3 LYS A 45 2.444 13.082 14.118 1.00 44.12 H new ATOM 0 HZ1 LYS A 45 2.813 10.956 14.998 1.00 14.14 H new ATOM 0 HZ2 LYS A 45 1.191 11.319 15.346 1.00 14.14 H new ATOM 0 HZ3 LYS A 45 1.569 10.255 14.079 1.00 14.14 H new ATOM 657 N SER A 46 -4.139 10.097 10.214 1.00 32.53 N ATOM 658 CA SER A 46 -5.486 9.572 10.283 1.00 53.25 C ATOM 659 C SER A 46 -5.770 8.997 8.906 1.00 53.15 C ATOM 660 O SER A 46 -6.288 9.690 8.028 1.00 44.35 O ATOM 661 CB SER A 46 -6.489 10.662 10.695 1.00 53.13 C ATOM 662 OG SER A 46 -6.092 11.964 10.287 1.00 3.44 O ATOM 0 H SER A 46 -3.717 9.974 9.294 1.00 32.53 H new ATOM 0 HA SER A 46 -5.588 8.801 11.047 1.00 53.25 H new ATOM 0 HB2 SER A 46 -7.463 10.433 10.264 1.00 53.13 H new ATOM 0 HB3 SER A 46 -6.609 10.647 11.778 1.00 53.13 H new ATOM 0 HG SER A 46 -6.765 12.616 10.573 1.00 3.44 H new ATOM 668 N PHE A 47 -5.332 7.760 8.693 1.00 21.34 N ATOM 669 CA PHE A 47 -5.632 6.975 7.507 1.00 3.33 C ATOM 670 C PHE A 47 -5.665 5.495 7.880 1.00 24.23 C ATOM 671 O PHE A 47 -5.103 5.100 8.908 1.00 32.21 O ATOM 672 CB PHE A 47 -4.604 7.269 6.401 1.00 30.54 C ATOM 673 CG PHE A 47 -3.175 6.809 6.650 1.00 1.42 C ATOM 674 CD1 PHE A 47 -2.249 7.649 7.302 1.00 25.13 C ATOM 675 CD2 PHE A 47 -2.745 5.565 6.154 1.00 42.41 C ATOM 676 CE1 PHE A 47 -0.907 7.249 7.447 1.00 63.11 C ATOM 677 CE2 PHE A 47 -1.403 5.175 6.282 1.00 22.13 C ATOM 678 CZ PHE A 47 -0.480 6.011 6.932 1.00 50.13 C ATOM 0 H PHE A 47 -4.742 7.265 9.362 1.00 21.34 H new ATOM 0 HA PHE A 47 -6.612 7.249 7.115 1.00 3.33 H new ATOM 0 HB2 PHE A 47 -4.955 6.804 5.480 1.00 30.54 H new ATOM 0 HB3 PHE A 47 -4.589 8.345 6.229 1.00 30.54 H new ATOM 0 HD1 PHE A 47 -2.571 8.603 7.692 1.00 25.13 H new ATOM 0 HD2 PHE A 47 -3.452 4.906 5.672 1.00 42.41 H new ATOM 0 HE1 PHE A 47 -0.204 7.893 7.954 1.00 63.11 H new ATOM 0 HE2 PHE A 47 -1.078 4.227 5.879 1.00 22.13 H new ATOM 0 HZ PHE A 47 0.551 5.706 7.036 1.00 50.13 H new ATOM 688 N TRP A 48 -6.318 4.668 7.072 1.00 45.14 N ATOM 689 CA TRP A 48 -6.544 3.269 7.398 1.00 12.31 C ATOM 690 C TRP A 48 -6.678 2.443 6.136 1.00 54.15 C ATOM 691 O TRP A 48 -6.795 2.959 5.026 1.00 61.55 O ATOM 692 CB TRP A 48 -7.811 3.159 8.256 1.00 2.41 C ATOM 693 CG TRP A 48 -9.068 3.666 7.633 1.00 30.14 C ATOM 694 CD1 TRP A 48 -9.744 3.036 6.649 1.00 1.41 C ATOM 695 CD2 TRP A 48 -9.823 4.879 7.918 1.00 41.21 C ATOM 696 NE1 TRP A 48 -10.833 3.783 6.282 1.00 65.41 N ATOM 697 CE2 TRP A 48 -10.934 4.930 7.028 1.00 62.35 C ATOM 698 CE3 TRP A 48 -9.670 5.960 8.812 1.00 72.23 C ATOM 699 CZ2 TRP A 48 -11.835 5.997 7.011 1.00 63.34 C ATOM 700 CZ3 TRP A 48 -10.620 6.998 8.862 1.00 44.34 C ATOM 701 CH2 TRP A 48 -11.701 7.020 7.960 1.00 61.35 C ATOM 0 H TRP A 48 -6.705 4.951 6.172 1.00 45.14 H new ATOM 0 HA TRP A 48 -5.692 2.882 7.957 1.00 12.31 H new ATOM 0 HB2 TRP A 48 -7.957 2.112 8.521 1.00 2.41 H new ATOM 0 HB3 TRP A 48 -7.645 3.703 9.186 1.00 2.41 H new ATOM 0 HD1 TRP A 48 -9.468 2.086 6.216 1.00 1.41 H new ATOM 0 HE1 TRP A 48 -11.487 3.519 5.545 1.00 65.41 H new ATOM 0 HE3 TRP A 48 -8.812 5.992 9.467 1.00 72.23 H new ATOM 0 HZ2 TRP A 48 -12.625 6.034 6.276 1.00 63.34 H new ATOM 0 HZ3 TRP A 48 -10.519 7.783 9.597 1.00 44.34 H new ATOM 0 HH2 TRP A 48 -12.424 7.822 7.999 1.00 61.35 H new ATOM 712 N ILE A 49 -6.660 1.136 6.342 1.00 5.31 N ATOM 713 CA ILE A 49 -6.821 0.111 5.350 1.00 70.34 C ATOM 714 C ILE A 49 -8.313 0.003 5.055 1.00 13.14 C ATOM 715 O ILE A 49 -9.045 -0.605 5.840 1.00 44.25 O ATOM 716 CB ILE A 49 -6.243 -1.218 5.872 1.00 44.14 C ATOM 717 CG1 ILE A 49 -4.780 -1.066 6.365 1.00 3.40 C ATOM 718 CG2 ILE A 49 -6.432 -2.248 4.745 1.00 12.20 C ATOM 719 CD1 ILE A 49 -3.742 -0.799 5.275 1.00 41.24 C ATOM 0 H ILE A 49 -6.522 0.747 7.275 1.00 5.31 H new ATOM 0 HA ILE A 49 -6.283 0.352 4.433 1.00 70.34 H new ATOM 0 HB ILE A 49 -6.769 -1.562 6.763 1.00 44.14 H new ATOM 0 HG12 ILE A 49 -4.741 -0.250 7.087 1.00 3.40 H new ATOM 0 HG13 ILE A 49 -4.498 -1.975 6.896 1.00 3.40 H new ATOM 0 HG21 ILE A 49 -6.037 -3.213 5.064 1.00 12.20 H new ATOM 0 HG22 ILE A 49 -7.493 -2.347 4.517 1.00 12.20 H new ATOM 0 HG23 ILE A 49 -5.899 -1.915 3.854 1.00 12.20 H new ATOM 0 HD11 ILE A 49 -2.754 -0.710 5.727 1.00 41.24 H new ATOM 0 HD12 ILE A 49 -3.742 -1.624 4.563 1.00 41.24 H new ATOM 0 HD13 ILE A 49 -3.989 0.127 4.757 1.00 41.24 H new ATOM 731 N SER A 50 -8.763 0.589 3.948 1.00 25.44 N ATOM 732 CA SER A 50 -10.108 0.343 3.457 1.00 61.41 C ATOM 733 C SER A 50 -10.141 -0.877 2.543 1.00 2.21 C ATOM 734 O SER A 50 -11.016 -1.733 2.694 1.00 70.43 O ATOM 735 CB SER A 50 -10.632 1.568 2.715 1.00 41.32 C ATOM 736 OG SER A 50 -10.651 2.666 3.595 1.00 53.23 O ATOM 0 H SER A 50 -8.215 1.234 3.379 1.00 25.44 H new ATOM 0 HA SER A 50 -10.751 0.145 4.315 1.00 61.41 H new ATOM 0 HB2 SER A 50 -9.999 1.786 1.855 1.00 41.32 H new ATOM 0 HB3 SER A 50 -11.634 1.376 2.332 1.00 41.32 H new ATOM 0 HG SER A 50 -11.490 3.160 3.483 1.00 53.23 H new ATOM 742 N SER A 51 -9.212 -0.975 1.588 1.00 31.11 N ATOM 743 CA SER A 51 -9.363 -1.863 0.443 1.00 72.23 C ATOM 744 C SER A 51 -8.139 -2.751 0.272 1.00 24.22 C ATOM 745 O SER A 51 -7.009 -2.283 0.440 1.00 52.14 O ATOM 746 CB SER A 51 -9.576 -1.009 -0.808 1.00 45.35 C ATOM 747 OG SER A 51 -10.611 -0.053 -0.629 1.00 62.22 O ATOM 0 H SER A 51 -8.342 -0.443 1.590 1.00 31.11 H new ATOM 0 HA SER A 51 -10.221 -2.515 0.604 1.00 72.23 H new ATOM 0 HB2 SER A 51 -8.648 -0.496 -1.059 1.00 45.35 H new ATOM 0 HB3 SER A 51 -9.821 -1.655 -1.651 1.00 45.35 H new ATOM 0 HG SER A 51 -10.715 0.474 -1.449 1.00 62.22 H new ATOM 753 N VAL A 52 -8.360 -4.014 -0.093 1.00 32.31 N ATOM 754 CA VAL A 52 -7.328 -5.024 -0.267 1.00 4.22 C ATOM 755 C VAL A 52 -7.694 -5.919 -1.454 1.00 42.14 C ATOM 756 O VAL A 52 -8.869 -6.216 -1.687 1.00 30.44 O ATOM 757 CB VAL A 52 -7.153 -5.806 1.055 1.00 72.44 C ATOM 758 CG1 VAL A 52 -8.455 -6.441 1.564 1.00 71.13 C ATOM 759 CG2 VAL A 52 -6.077 -6.891 0.934 1.00 24.23 C ATOM 0 H VAL A 52 -9.297 -4.370 -0.281 1.00 32.31 H new ATOM 0 HA VAL A 52 -6.365 -4.568 -0.497 1.00 4.22 H new ATOM 0 HB VAL A 52 -6.839 -5.060 1.785 1.00 72.44 H new ATOM 0 HG11 VAL A 52 -8.260 -6.974 2.495 1.00 71.13 H new ATOM 0 HG12 VAL A 52 -9.195 -5.661 1.741 1.00 71.13 H new ATOM 0 HG13 VAL A 52 -8.835 -7.140 0.818 1.00 71.13 H new ATOM 0 HG21 VAL A 52 -5.984 -7.418 1.883 1.00 24.23 H new ATOM 0 HG22 VAL A 52 -6.359 -7.597 0.153 1.00 24.23 H new ATOM 0 HG23 VAL A 52 -5.123 -6.430 0.680 1.00 24.23 H new ATOM 769 N LYS A 53 -6.677 -6.377 -2.184 1.00 10.40 N ATOM 770 CA LYS A 53 -6.757 -7.341 -3.275 1.00 65.51 C ATOM 771 C LYS A 53 -5.530 -8.215 -3.171 1.00 34.50 C ATOM 772 O LYS A 53 -4.455 -7.676 -2.934 1.00 21.53 O ATOM 773 CB LYS A 53 -6.758 -6.578 -4.602 1.00 10.20 C ATOM 774 CG LYS A 53 -6.422 -7.377 -5.879 1.00 5.21 C ATOM 775 CD LYS A 53 -6.798 -6.561 -7.133 1.00 65.22 C ATOM 776 CE LYS A 53 -8.325 -6.510 -7.302 1.00 70.42 C ATOM 777 NZ LYS A 53 -8.820 -5.350 -8.067 1.00 44.33 N ATOM 0 H LYS A 53 -5.720 -6.065 -2.018 1.00 10.40 H new ATOM 0 HA LYS A 53 -7.661 -7.947 -3.223 1.00 65.51 H new ATOM 0 HB2 LYS A 53 -7.744 -6.131 -4.733 1.00 10.20 H new ATOM 0 HB3 LYS A 53 -6.045 -5.758 -4.520 1.00 10.20 H new ATOM 0 HG2 LYS A 53 -5.359 -7.617 -5.898 1.00 5.21 H new ATOM 0 HG3 LYS A 53 -6.962 -8.324 -5.877 1.00 5.21 H new ATOM 0 HD2 LYS A 53 -6.401 -5.549 -7.049 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -6.343 -7.009 -8.016 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -8.653 -7.423 -7.799 1.00 70.42 H new ATOM 0 HE3 LYS A 53 -8.787 -6.501 -6.315 1.00 70.42 H new ATOM 0 HZ1 LYS A 53 -9.582 -5.655 -8.706 1.00 44.33 H new ATOM 0 HZ2 LYS A 53 -9.185 -4.631 -7.410 1.00 44.33 H new ATOM 0 HZ3 LYS A 53 -8.042 -4.945 -8.626 1.00 44.33 H new ATOM 791 N GLU A 54 -5.679 -9.514 -3.406 1.00 2.40 N ATOM 792 CA GLU A 54 -4.569 -10.477 -3.366 1.00 22.11 C ATOM 793 C GLU A 54 -4.593 -11.466 -4.536 1.00 2.30 C ATOM 794 O GLU A 54 -3.638 -12.209 -4.744 1.00 5.23 O ATOM 795 CB GLU A 54 -4.564 -11.240 -2.025 1.00 30.52 C ATOM 796 CG GLU A 54 -5.813 -12.117 -1.797 1.00 22.14 C ATOM 797 CD GLU A 54 -5.486 -13.532 -1.309 1.00 74.14 C ATOM 798 OE1 GLU A 54 -5.191 -14.413 -2.159 1.00 62.22 O ATOM 799 OE2 GLU A 54 -5.607 -13.791 -0.092 1.00 44.02 O ATOM 0 H GLU A 54 -6.579 -9.938 -3.632 1.00 2.40 H new ATOM 0 HA GLU A 54 -3.651 -9.897 -3.460 1.00 22.11 H new ATOM 0 HB2 GLU A 54 -3.677 -11.871 -1.981 1.00 30.52 H new ATOM 0 HB3 GLU A 54 -4.484 -10.521 -1.210 1.00 30.52 H new ATOM 0 HG2 GLU A 54 -6.461 -11.630 -1.068 1.00 22.14 H new ATOM 0 HG3 GLU A 54 -6.375 -12.183 -2.728 1.00 22.14 H new ATOM 806 N GLU A 55 -5.684 -11.492 -5.302 1.00 53.45 N ATOM 807 CA GLU A 55 -6.051 -12.611 -6.182 1.00 64.45 C ATOM 808 C GLU A 55 -6.710 -12.151 -7.491 1.00 12.02 C ATOM 809 O GLU A 55 -7.137 -12.963 -8.315 1.00 5.11 O ATOM 810 CB GLU A 55 -6.987 -13.549 -5.408 1.00 11.44 C ATOM 811 CG GLU A 55 -8.353 -12.907 -5.163 1.00 74.14 C ATOM 812 CD GLU A 55 -9.091 -13.510 -3.972 1.00 73.12 C ATOM 813 OE1 GLU A 55 -9.846 -14.496 -4.138 1.00 14.12 O ATOM 814 OE2 GLU A 55 -9.039 -12.907 -2.875 1.00 11.03 O ATOM 0 H GLU A 55 -6.353 -10.723 -5.331 1.00 53.45 H new ATOM 0 HA GLU A 55 -5.138 -13.131 -6.472 1.00 64.45 H new ATOM 0 HB2 GLU A 55 -7.115 -14.477 -5.966 1.00 11.44 H new ATOM 0 HB3 GLU A 55 -6.531 -13.811 -4.453 1.00 11.44 H new ATOM 0 HG2 GLU A 55 -8.221 -11.838 -4.998 1.00 74.14 H new ATOM 0 HG3 GLU A 55 -8.966 -13.018 -6.057 1.00 74.14 H new ATOM 821 N GLY A 56 -6.834 -10.837 -7.666 1.00 44.02 N ATOM 822 CA GLY A 56 -7.518 -10.200 -8.782 1.00 13.43 C ATOM 823 C GLY A 56 -8.932 -9.721 -8.441 1.00 11.01 C ATOM 824 O GLY A 56 -9.564 -9.077 -9.283 1.00 24.43 O ATOM 0 H GLY A 56 -6.444 -10.163 -7.007 1.00 44.02 H new ATOM 0 HA2 GLY A 56 -6.927 -9.349 -9.122 1.00 13.43 H new ATOM 0 HA3 GLY A 56 -7.572 -10.903 -9.613 1.00 13.43 H new ATOM 828 N LYS A 57 -9.429 -9.944 -7.219 1.00 65.12 N ATOM 829 CA LYS A 57 -10.712 -9.427 -6.726 1.00 74.41 C ATOM 830 C LYS A 57 -10.480 -8.641 -5.436 1.00 12.01 C ATOM 831 O LYS A 57 -9.328 -8.522 -5.024 1.00 5.44 O ATOM 832 CB LYS A 57 -11.715 -10.585 -6.563 1.00 10.22 C ATOM 833 CG LYS A 57 -11.393 -11.583 -5.431 1.00 31.12 C ATOM 834 CD LYS A 57 -12.551 -11.768 -4.441 1.00 1.01 C ATOM 835 CE LYS A 57 -12.067 -12.099 -3.024 1.00 50.12 C ATOM 836 NZ LYS A 57 -12.048 -13.547 -2.753 1.00 23.13 N ATOM 0 H LYS A 57 -8.936 -10.506 -6.525 1.00 65.12 H new ATOM 0 HA LYS A 57 -11.151 -8.736 -7.446 1.00 74.41 H new ATOM 0 HB2 LYS A 57 -12.704 -10.164 -6.383 1.00 10.22 H new ATOM 0 HB3 LYS A 57 -11.768 -11.133 -7.504 1.00 10.22 H new ATOM 0 HG2 LYS A 57 -11.139 -12.549 -5.868 1.00 31.12 H new ATOM 0 HG3 LYS A 57 -10.512 -11.237 -4.890 1.00 31.12 H new ATOM 0 HD2 LYS A 57 -13.150 -10.857 -4.413 1.00 1.01 H new ATOM 0 HD3 LYS A 57 -13.202 -12.567 -4.795 1.00 1.01 H new ATOM 0 HE2 LYS A 57 -11.065 -11.694 -2.883 1.00 50.12 H new ATOM 0 HE3 LYS A 57 -12.715 -11.606 -2.299 1.00 50.12 H new ATOM 0 HZ1 LYS A 57 -11.697 -13.715 -1.788 1.00 23.13 H new ATOM 0 HZ2 LYS A 57 -13.011 -13.930 -2.843 1.00 23.13 H new ATOM 0 HZ3 LYS A 57 -11.422 -14.020 -3.436 1.00 23.13 H new ATOM 850 N PHE A 58 -11.523 -8.090 -4.819 1.00 14.23 N ATOM 851 CA PHE A 58 -11.447 -7.521 -3.471 1.00 4.24 C ATOM 852 C PHE A 58 -12.012 -8.512 -2.458 1.00 21.14 C ATOM 853 O PHE A 58 -13.003 -9.194 -2.729 1.00 53.23 O ATOM 854 CB PHE A 58 -12.212 -6.190 -3.378 1.00 63.34 C ATOM 855 CG PHE A 58 -11.447 -4.924 -3.727 1.00 1.00 C ATOM 856 CD1 PHE A 58 -10.331 -4.953 -4.579 1.00 63.52 C ATOM 857 CD2 PHE A 58 -11.874 -3.692 -3.199 1.00 41.03 C ATOM 858 CE1 PHE A 58 -9.642 -3.769 -4.898 1.00 12.43 C ATOM 859 CE2 PHE A 58 -11.228 -2.499 -3.564 1.00 44.41 C ATOM 860 CZ PHE A 58 -10.100 -2.536 -4.401 1.00 65.41 C ATOM 0 H PHE A 58 -12.450 -8.024 -5.240 1.00 14.23 H new ATOM 0 HA PHE A 58 -10.398 -7.324 -3.248 1.00 4.24 H new ATOM 0 HB2 PHE A 58 -13.080 -6.252 -4.035 1.00 63.34 H new ATOM 0 HB3 PHE A 58 -12.589 -6.087 -2.360 1.00 63.34 H new ATOM 0 HD1 PHE A 58 -9.999 -5.893 -4.993 1.00 63.52 H new ATOM 0 HD2 PHE A 58 -12.704 -3.663 -2.508 1.00 41.03 H new ATOM 0 HE1 PHE A 58 -8.763 -3.807 -5.524 1.00 12.43 H new ATOM 0 HE2 PHE A 58 -11.599 -1.552 -3.201 1.00 44.41 H new ATOM 0 HZ PHE A 58 -9.587 -1.622 -4.661 1.00 65.41 H new ATOM 870 N LYS A 59 -11.395 -8.574 -1.277 1.00 24.51 N ATOM 871 CA LYS A 59 -11.885 -9.323 -0.117 1.00 45.05 C ATOM 872 C LYS A 59 -12.261 -8.331 0.987 1.00 25.24 C ATOM 873 O LYS A 59 -12.555 -7.169 0.695 1.00 23.52 O ATOM 874 CB LYS A 59 -10.888 -10.428 0.303 1.00 50.34 C ATOM 875 CG LYS A 59 -9.561 -9.873 0.842 1.00 65.41 C ATOM 876 CD LYS A 59 -8.721 -10.893 1.613 1.00 25.13 C ATOM 877 CE LYS A 59 -9.311 -11.303 2.973 1.00 22.33 C ATOM 878 NZ LYS A 59 -8.423 -12.237 3.702 1.00 12.10 N ATOM 0 H LYS A 59 -10.515 -8.091 -1.095 1.00 24.51 H new ATOM 0 HA LYS A 59 -12.793 -9.873 -0.366 1.00 45.05 H new ATOM 0 HB2 LYS A 59 -11.350 -11.054 1.067 1.00 50.34 H new ATOM 0 HB3 LYS A 59 -10.684 -11.070 -0.554 1.00 50.34 H new ATOM 0 HG2 LYS A 59 -8.973 -9.493 0.007 1.00 65.41 H new ATOM 0 HG3 LYS A 59 -9.773 -9.026 1.495 1.00 65.41 H new ATOM 0 HD2 LYS A 59 -8.601 -11.785 0.999 1.00 25.13 H new ATOM 0 HD3 LYS A 59 -7.725 -10.479 1.772 1.00 25.13 H new ATOM 0 HE2 LYS A 59 -9.478 -10.413 3.579 1.00 22.33 H new ATOM 0 HE3 LYS A 59 -10.283 -11.771 2.820 1.00 22.33 H new ATOM 0 HZ1 LYS A 59 -8.857 -12.489 4.613 1.00 12.10 H new ATOM 0 HZ2 LYS A 59 -8.284 -13.098 3.135 1.00 12.10 H new ATOM 0 HZ3 LYS A 59 -7.503 -11.781 3.871 1.00 12.10 H new ATOM 892 N GLU A 60 -12.282 -8.800 2.231 1.00 61.25 N ATOM 893 CA GLU A 60 -12.560 -8.025 3.427 1.00 42.33 C ATOM 894 C GLU A 60 -11.272 -7.753 4.194 1.00 71.21 C ATOM 895 O GLU A 60 -10.235 -8.365 3.932 1.00 21.12 O ATOM 896 CB GLU A 60 -13.524 -8.824 4.318 1.00 45.32 C ATOM 897 CG GLU A 60 -14.976 -8.552 4.024 1.00 30.24 C ATOM 898 CD GLU A 60 -15.508 -7.212 4.543 1.00 5.22 C ATOM 899 OE1 GLU A 60 -14.731 -6.248 4.745 1.00 3.00 O ATOM 900 OE2 GLU A 60 -16.745 -7.128 4.723 1.00 23.42 O ATOM 0 H GLU A 60 -12.096 -9.781 2.438 1.00 61.25 H new ATOM 0 HA GLU A 60 -13.006 -7.072 3.144 1.00 42.33 H new ATOM 0 HB2 GLU A 60 -13.328 -9.888 4.189 1.00 45.32 H new ATOM 0 HB3 GLU A 60 -13.322 -8.587 5.363 1.00 45.32 H new ATOM 0 HG2 GLU A 60 -15.125 -8.590 2.945 1.00 30.24 H new ATOM 0 HG3 GLU A 60 -15.574 -9.354 4.457 1.00 30.24 H new ATOM 907 N ASN A 61 -11.381 -6.887 5.199 1.00 21.50 N ATOM 908 CA ASN A 61 -10.378 -6.659 6.220 1.00 14.12 C ATOM 909 C ASN A 61 -10.905 -7.218 7.537 1.00 50.24 C ATOM 910 O ASN A 61 -12.069 -7.623 7.648 1.00 71.23 O ATOM 911 CB ASN A 61 -10.064 -5.156 6.330 1.00 33.12 C ATOM 912 CG ASN A 61 -8.737 -4.845 5.673 1.00 25.51 C ATOM 913 OD1 ASN A 61 -8.628 -4.864 4.453 1.00 74.42 O ATOM 914 ND2 ASN A 61 -7.698 -4.603 6.451 1.00 10.44 N ATOM 0 H ASN A 61 -12.208 -6.303 5.323 1.00 21.50 H new ATOM 0 HA ASN A 61 -9.447 -7.164 5.962 1.00 14.12 H new ATOM 0 HB2 ASN A 61 -10.856 -4.577 5.856 1.00 33.12 H new ATOM 0 HB3 ASN A 61 -10.036 -4.860 7.379 1.00 33.12 H new ATOM 0 HD21 ASN A 61 -6.782 -4.427 6.038 1.00 10.44 H new ATOM 0 HD22 ASN A 61 -7.811 -4.592 7.465 1.00 10.44 H new ATOM 921 N THR A 62 -10.030 -7.237 8.535 1.00 45.01 N ATOM 922 CA THR A 62 -10.332 -7.653 9.901 1.00 30.34 C ATOM 923 C THR A 62 -9.583 -6.775 10.927 1.00 22.21 C ATOM 924 O THR A 62 -9.559 -7.047 12.128 1.00 2.40 O ATOM 925 CB THR A 62 -10.125 -9.175 9.974 1.00 2.00 C ATOM 926 OG1 THR A 62 -10.798 -9.794 11.044 1.00 63.22 O ATOM 927 CG2 THR A 62 -8.658 -9.574 9.956 1.00 53.12 C ATOM 0 H THR A 62 -9.058 -6.954 8.413 1.00 45.01 H new ATOM 0 HA THR A 62 -11.371 -7.482 10.183 1.00 30.34 H new ATOM 0 HB THR A 62 -10.584 -9.550 9.059 1.00 2.00 H new ATOM 0 HG1 THR A 62 -10.623 -10.758 11.027 1.00 63.22 H new ATOM 0 HG21 THR A 62 -8.576 -10.660 10.010 1.00 53.12 H new ATOM 0 HG22 THR A 62 -8.196 -9.220 9.034 1.00 53.12 H new ATOM 0 HG23 THR A 62 -8.149 -9.129 10.811 1.00 53.12 H new ATOM 935 N SER A 63 -8.968 -5.691 10.458 1.00 1.22 N ATOM 936 CA SER A 63 -8.482 -4.557 11.220 1.00 51.34 C ATOM 937 C SER A 63 -8.359 -3.400 10.231 1.00 13.02 C ATOM 938 O SER A 63 -8.285 -3.626 9.021 1.00 2.03 O ATOM 939 CB SER A 63 -7.142 -4.901 11.873 1.00 30.52 C ATOM 940 OG SER A 63 -7.409 -5.484 13.131 1.00 21.13 O ATOM 0 H SER A 63 -8.786 -5.581 9.460 1.00 1.22 H new ATOM 0 HA SER A 63 -9.158 -4.286 12.031 1.00 51.34 H new ATOM 0 HB2 SER A 63 -6.577 -5.590 11.245 1.00 30.52 H new ATOM 0 HB3 SER A 63 -6.533 -4.004 11.990 1.00 30.52 H new ATOM 0 HG SER A 63 -8.162 -6.106 13.050 1.00 21.13 H new ATOM 946 N TYR A 64 -8.302 -2.166 10.734 1.00 51.04 N ATOM 947 CA TYR A 64 -8.216 -0.967 9.903 1.00 13.40 C ATOM 948 C TYR A 64 -6.775 -0.468 9.811 1.00 54.13 C ATOM 949 O TYR A 64 -6.454 0.415 9.027 1.00 32.52 O ATOM 950 CB TYR A 64 -9.192 0.088 10.444 1.00 23.32 C ATOM 951 CG TYR A 64 -10.635 -0.243 10.116 1.00 63.13 C ATOM 952 CD1 TYR A 64 -11.199 0.159 8.891 1.00 51.44 C ATOM 953 CD2 TYR A 64 -11.404 -0.997 11.016 1.00 14.31 C ATOM 954 CE1 TYR A 64 -12.522 -0.194 8.571 1.00 74.15 C ATOM 955 CE2 TYR A 64 -12.732 -1.340 10.709 1.00 24.33 C ATOM 956 CZ TYR A 64 -13.296 -0.956 9.475 1.00 50.01 C ATOM 957 OH TYR A 64 -14.567 -1.334 9.164 1.00 70.11 O ATOM 0 H TYR A 64 -8.314 -1.971 11.735 1.00 51.04 H new ATOM 0 HA TYR A 64 -8.512 -1.197 8.879 1.00 13.40 H new ATOM 0 HB2 TYR A 64 -9.076 0.167 11.525 1.00 23.32 H new ATOM 0 HB3 TYR A 64 -8.940 1.062 10.024 1.00 23.32 H new ATOM 0 HD1 TYR A 64 -10.614 0.741 8.194 1.00 51.44 H new ATOM 0 HD2 TYR A 64 -10.972 -1.316 11.953 1.00 14.31 H new ATOM 0 HE1 TYR A 64 -12.949 0.119 7.630 1.00 74.15 H new ATOM 0 HE2 TYR A 64 -13.322 -1.899 11.420 1.00 24.33 H new ATOM 0 HH TYR A 64 -14.944 -1.853 9.905 1.00 70.11 H new ATOM 967 N LYS A 65 -5.864 -1.053 10.575 1.00 3.40 N ATOM 968 CA LYS A 65 -4.481 -0.609 10.701 1.00 74.42 C ATOM 969 C LYS A 65 -3.520 -1.778 10.557 1.00 33.14 C ATOM 970 O LYS A 65 -2.314 -1.621 10.749 1.00 34.34 O ATOM 971 CB LYS A 65 -4.321 0.185 12.006 1.00 64.31 C ATOM 972 CG LYS A 65 -5.068 -0.389 13.224 1.00 34.52 C ATOM 973 CD LYS A 65 -4.948 0.580 14.404 1.00 23.50 C ATOM 974 CE LYS A 65 -5.385 -0.047 15.729 1.00 34.40 C ATOM 975 NZ LYS A 65 -6.823 -0.388 15.797 1.00 62.14 N ATOM 0 H LYS A 65 -6.072 -1.875 11.142 1.00 3.40 H new ATOM 0 HA LYS A 65 -4.223 0.069 9.887 1.00 74.42 H new ATOM 0 HB2 LYS A 65 -3.260 0.245 12.247 1.00 64.31 H new ATOM 0 HB3 LYS A 65 -4.667 1.204 11.836 1.00 64.31 H new ATOM 0 HG2 LYS A 65 -6.118 -0.549 12.977 1.00 34.52 H new ATOM 0 HG3 LYS A 65 -4.652 -1.360 13.494 1.00 34.52 H new ATOM 0 HD2 LYS A 65 -3.915 0.916 14.489 1.00 23.50 H new ATOM 0 HD3 LYS A 65 -5.555 1.463 14.207 1.00 23.50 H new ATOM 0 HE2 LYS A 65 -4.801 -0.951 15.900 1.00 34.40 H new ATOM 0 HE3 LYS A 65 -5.149 0.643 16.539 1.00 34.40 H new ATOM 0 HZ1 LYS A 65 -7.037 -0.807 16.725 1.00 62.14 H new ATOM 0 HZ2 LYS A 65 -7.391 0.474 15.667 1.00 62.14 H new ATOM 0 HZ3 LYS A 65 -7.054 -1.071 15.047 1.00 62.14 H new ATOM 989 N GLU A 66 -4.035 -2.945 10.200 1.00 41.01 N ATOM 990 CA GLU A 66 -3.278 -4.151 9.998 1.00 5.14 C ATOM 991 C GLU A 66 -4.044 -4.933 8.942 1.00 43.41 C ATOM 992 O GLU A 66 -5.276 -4.852 8.891 1.00 34.10 O ATOM 993 CB GLU A 66 -3.197 -4.872 11.354 1.00 41.44 C ATOM 994 CG GLU A 66 -2.424 -6.193 11.362 1.00 63.23 C ATOM 995 CD GLU A 66 -2.523 -6.875 12.735 1.00 51.01 C ATOM 996 OE1 GLU A 66 -2.358 -6.183 13.769 1.00 5.41 O ATOM 997 OE2 GLU A 66 -2.784 -8.104 12.756 1.00 53.12 O ATOM 0 H GLU A 66 -5.034 -3.073 10.039 1.00 41.01 H new ATOM 0 HA GLU A 66 -2.255 -4.000 9.655 1.00 5.14 H new ATOM 0 HB2 GLU A 66 -2.735 -4.198 12.075 1.00 41.44 H new ATOM 0 HB3 GLU A 66 -4.212 -5.065 11.703 1.00 41.44 H new ATOM 0 HG2 GLU A 66 -2.820 -6.856 10.592 1.00 63.23 H new ATOM 0 HG3 GLU A 66 -1.378 -6.009 11.117 1.00 63.23 H new ATOM 1004 N PHE A 67 -3.318 -5.651 8.092 1.00 13.32 N ATOM 1005 CA PHE A 67 -3.865 -6.664 7.214 1.00 3.24 C ATOM 1006 C PHE A 67 -2.775 -7.706 7.019 1.00 23.12 C ATOM 1007 O PHE A 67 -1.677 -7.360 6.579 1.00 1.32 O ATOM 1008 CB PHE A 67 -4.285 -6.078 5.862 1.00 45.32 C ATOM 1009 CG PHE A 67 -4.782 -7.172 4.946 1.00 34.51 C ATOM 1010 CD1 PHE A 67 -6.113 -7.616 5.052 1.00 42.05 C ATOM 1011 CD2 PHE A 67 -3.880 -7.847 4.100 1.00 3.20 C ATOM 1012 CE1 PHE A 67 -6.546 -8.723 4.307 1.00 42.23 C ATOM 1013 CE2 PHE A 67 -4.311 -8.952 3.354 1.00 41.15 C ATOM 1014 CZ PHE A 67 -5.643 -9.379 3.451 1.00 61.15 C ATOM 0 H PHE A 67 -2.309 -5.537 7.997 1.00 13.32 H new ATOM 0 HA PHE A 67 -4.762 -7.098 7.656 1.00 3.24 H new ATOM 0 HB2 PHE A 67 -5.068 -5.334 6.008 1.00 45.32 H new ATOM 0 HB3 PHE A 67 -3.440 -5.566 5.402 1.00 45.32 H new ATOM 0 HD1 PHE A 67 -6.802 -7.104 5.708 1.00 42.05 H new ATOM 0 HD2 PHE A 67 -2.856 -7.513 4.026 1.00 3.20 H new ATOM 0 HE1 PHE A 67 -7.566 -9.069 4.390 1.00 42.23 H new ATOM 0 HE2 PHE A 67 -3.620 -9.472 2.707 1.00 41.15 H new ATOM 0 HZ PHE A 67 -5.979 -10.220 2.863 1.00 61.15 H new ATOM 1024 N ASP A 68 -3.057 -8.965 7.325 1.00 14.42 N ATOM 1025 CA ASP A 68 -2.151 -10.079 7.180 1.00 3.40 C ATOM 1026 C ASP A 68 -2.759 -11.099 6.218 1.00 63.45 C ATOM 1027 O ASP A 68 -3.903 -11.533 6.371 1.00 24.43 O ATOM 1028 CB ASP A 68 -1.826 -10.646 8.565 1.00 50.03 C ATOM 1029 CG ASP A 68 -2.942 -11.445 9.229 1.00 53.01 C ATOM 1030 OD1 ASP A 68 -4.067 -10.925 9.379 1.00 65.25 O ATOM 1031 OD2 ASP A 68 -2.667 -12.593 9.638 1.00 35.51 O ATOM 0 H ASP A 68 -3.965 -9.242 7.697 1.00 14.42 H new ATOM 0 HA ASP A 68 -1.202 -9.769 6.742 1.00 3.40 H new ATOM 0 HB2 ASP A 68 -0.948 -11.286 8.479 1.00 50.03 H new ATOM 0 HB3 ASP A 68 -1.555 -9.819 9.222 1.00 50.03 H new ATOM 1036 N GLY A 69 -1.996 -11.454 5.186 1.00 53.42 N ATOM 1037 CA GLY A 69 -2.337 -12.416 4.143 1.00 12.04 C ATOM 1038 C GLY A 69 -1.301 -13.534 4.078 1.00 52.35 C ATOM 1039 O GLY A 69 -1.006 -14.050 2.999 1.00 14.31 O ATOM 0 H GLY A 69 -1.068 -11.053 5.049 1.00 53.42 H new ATOM 0 HA2 GLY A 69 -3.323 -12.838 4.339 1.00 12.04 H new ATOM 0 HA3 GLY A 69 -2.393 -11.910 3.179 1.00 12.04 H new ATOM 1043 N GLY A 70 -0.680 -13.857 5.215 1.00 1.40 N ATOM 1044 CA GLY A 70 0.412 -14.806 5.336 1.00 64.15 C ATOM 1045 C GLY A 70 1.671 -14.265 4.671 1.00 1.31 C ATOM 1046 O GLY A 70 2.551 -13.714 5.339 1.00 33.13 O ATOM 0 H GLY A 70 -0.941 -13.443 6.110 1.00 1.40 H new ATOM 0 HA2 GLY A 70 0.609 -15.009 6.389 1.00 64.15 H new ATOM 0 HA3 GLY A 70 0.130 -15.753 4.876 1.00 64.15 H new ATOM 1050 N TRP A 71 1.747 -14.383 3.344 1.00 52.04 N ATOM 1051 CA TRP A 71 2.890 -13.953 2.550 1.00 11.24 C ATOM 1052 C TRP A 71 3.065 -12.432 2.515 1.00 44.25 C ATOM 1053 O TRP A 71 4.089 -11.960 2.024 1.00 5.11 O ATOM 1054 CB TRP A 71 2.822 -14.542 1.132 1.00 65.53 C ATOM 1055 CG TRP A 71 1.737 -14.100 0.185 1.00 74.14 C ATOM 1056 CD1 TRP A 71 0.480 -14.597 0.143 1.00 2.14 C ATOM 1057 CD2 TRP A 71 1.822 -13.168 -0.941 1.00 72.35 C ATOM 1058 NE1 TRP A 71 -0.187 -14.096 -0.962 1.00 61.11 N ATOM 1059 CE2 TRP A 71 0.603 -13.228 -1.682 1.00 51.12 C ATOM 1060 CE3 TRP A 71 2.814 -12.295 -1.433 1.00 12.01 C ATOM 1061 CZ2 TRP A 71 0.393 -12.488 -2.860 1.00 30.11 C ATOM 1062 CZ3 TRP A 71 2.610 -11.533 -2.600 1.00 42.05 C ATOM 1063 CH2 TRP A 71 1.412 -11.643 -3.326 1.00 41.25 C ATOM 0 H TRP A 71 0.998 -14.789 2.784 1.00 52.04 H new ATOM 0 HA TRP A 71 3.778 -14.344 3.047 1.00 11.24 H new ATOM 0 HB2 TRP A 71 3.777 -14.336 0.649 1.00 65.53 H new ATOM 0 HB3 TRP A 71 2.743 -15.624 1.234 1.00 65.53 H new ATOM 0 HD1 TRP A 71 0.059 -15.282 0.864 1.00 2.14 H new ATOM 0 HE1 TRP A 71 -1.145 -14.340 -1.212 1.00 61.11 H new ATOM 0 HE3 TRP A 71 3.751 -12.209 -0.903 1.00 12.01 H new ATOM 0 HZ2 TRP A 71 -0.540 -12.569 -3.398 1.00 30.11 H new ATOM 0 HZ3 TRP A 71 3.382 -10.858 -2.940 1.00 42.05 H new ATOM 0 HH2 TRP A 71 1.276 -11.080 -4.238 1.00 41.25 H new ATOM 1074 N TYR A 72 2.114 -11.654 3.036 1.00 41.15 N ATOM 1075 CA TYR A 72 2.046 -10.213 2.912 1.00 42.25 C ATOM 1076 C TYR A 72 1.523 -9.710 4.245 1.00 11.42 C ATOM 1077 O TYR A 72 0.580 -10.300 4.782 1.00 21.44 O ATOM 1078 CB TYR A 72 1.089 -9.870 1.765 1.00 62.23 C ATOM 1079 CG TYR A 72 1.070 -8.406 1.382 1.00 63.25 C ATOM 1080 CD1 TYR A 72 2.143 -7.882 0.640 1.00 24.53 C ATOM 1081 CD2 TYR A 72 -0.021 -7.581 1.709 1.00 52.01 C ATOM 1082 CE1 TYR A 72 2.160 -6.532 0.259 1.00 73.24 C ATOM 1083 CE2 TYR A 72 -0.022 -6.233 1.312 1.00 51.02 C ATOM 1084 CZ TYR A 72 1.083 -5.699 0.614 1.00 73.35 C ATOM 1085 OH TYR A 72 1.096 -4.388 0.259 1.00 52.14 O ATOM 0 H TYR A 72 1.340 -12.037 3.578 1.00 41.15 H new ATOM 0 HA TYR A 72 3.009 -9.754 2.687 1.00 42.25 H new ATOM 0 HB2 TYR A 72 1.365 -10.458 0.890 1.00 62.23 H new ATOM 0 HB3 TYR A 72 0.080 -10.172 2.047 1.00 62.23 H new ATOM 0 HD1 TYR A 72 2.964 -8.526 0.360 1.00 24.53 H new ATOM 0 HD2 TYR A 72 -0.856 -7.982 2.264 1.00 52.01 H new ATOM 0 HE1 TYR A 72 2.993 -6.135 -0.302 1.00 73.24 H new ATOM 0 HE2 TYR A 72 -0.870 -5.604 1.541 1.00 51.02 H new ATOM 0 HH TYR A 72 1.486 -4.295 -0.635 1.00 52.14 H new ATOM 1095 N LEU A 73 2.148 -8.680 4.817 1.00 51.04 N ATOM 1096 CA LEU A 73 1.791 -8.203 6.145 1.00 70.35 C ATOM 1097 C LEU A 73 1.878 -6.681 6.197 1.00 5.40 C ATOM 1098 O LEU A 73 2.976 -6.116 6.260 1.00 14.21 O ATOM 1099 CB LEU A 73 2.657 -8.900 7.219 1.00 32.34 C ATOM 1100 CG LEU A 73 1.816 -9.452 8.385 1.00 41.01 C ATOM 1101 CD1 LEU A 73 2.738 -10.005 9.475 1.00 50.04 C ATOM 1102 CD2 LEU A 73 0.891 -8.392 8.990 1.00 3.01 C ATOM 0 H LEU A 73 2.907 -8.161 4.375 1.00 51.04 H new ATOM 0 HA LEU A 73 0.756 -8.466 6.365 1.00 70.35 H new ATOM 0 HB2 LEU A 73 3.214 -9.716 6.759 1.00 32.34 H new ATOM 0 HB3 LEU A 73 3.390 -8.192 7.606 1.00 32.34 H new ATOM 0 HG LEU A 73 1.188 -10.247 7.982 1.00 41.01 H new ATOM 0 HD11 LEU A 73 2.137 -10.394 10.297 1.00 50.04 H new ATOM 0 HD12 LEU A 73 3.350 -10.807 9.062 1.00 50.04 H new ATOM 0 HD13 LEU A 73 3.384 -9.208 9.843 1.00 50.04 H new ATOM 0 HD21 LEU A 73 0.320 -8.831 9.808 1.00 3.01 H new ATOM 0 HD22 LEU A 73 1.487 -7.562 9.369 1.00 3.01 H new ATOM 0 HD23 LEU A 73 0.206 -8.027 8.225 1.00 3.01 H new ATOM 1114 N VAL A 74 0.729 -6.013 6.138 1.00 34.34 N ATOM 1115 CA VAL A 74 0.568 -4.572 6.245 1.00 45.23 C ATOM 1116 C VAL A 74 0.381 -4.234 7.709 1.00 4.44 C ATOM 1117 O VAL A 74 -0.467 -4.824 8.379 1.00 62.34 O ATOM 1118 CB VAL A 74 -0.660 -4.072 5.454 1.00 14.21 C ATOM 1119 CG1 VAL A 74 -0.634 -2.545 5.371 1.00 53.14 C ATOM 1120 CG2 VAL A 74 -0.673 -4.646 4.037 1.00 3.43 C ATOM 0 H VAL A 74 -0.162 -6.492 6.007 1.00 34.34 H new ATOM 0 HA VAL A 74 1.451 -4.087 5.829 1.00 45.23 H new ATOM 0 HB VAL A 74 -1.556 -4.406 5.977 1.00 14.21 H new ATOM 0 HG11 VAL A 74 -1.502 -2.196 4.812 1.00 53.14 H new ATOM 0 HG12 VAL A 74 -0.657 -2.125 6.377 1.00 53.14 H new ATOM 0 HG13 VAL A 74 0.276 -2.224 4.865 1.00 53.14 H new ATOM 0 HG21 VAL A 74 -1.549 -4.277 3.503 1.00 3.43 H new ATOM 0 HG22 VAL A 74 0.230 -4.336 3.511 1.00 3.43 H new ATOM 0 HG23 VAL A 74 -0.710 -5.734 4.086 1.00 3.43 H new ATOM 1130 N LYS A 75 1.135 -3.251 8.196 1.00 44.42 N ATOM 1131 CA LYS A 75 0.967 -2.675 9.517 1.00 1.22 C ATOM 1132 C LYS A 75 1.098 -1.174 9.352 1.00 21.44 C ATOM 1133 O LYS A 75 2.149 -0.698 8.911 1.00 31.52 O ATOM 1134 CB LYS A 75 2.010 -3.259 10.480 1.00 2.24 C ATOM 1135 CG LYS A 75 1.535 -4.612 11.023 1.00 42.23 C ATOM 1136 CD LYS A 75 2.652 -5.437 11.677 1.00 5.24 C ATOM 1137 CE LYS A 75 3.620 -6.006 10.623 1.00 61.21 C ATOM 1138 NZ LYS A 75 4.640 -6.899 11.211 1.00 5.44 N ATOM 0 H LYS A 75 1.896 -2.827 7.666 1.00 44.42 H new ATOM 0 HA LYS A 75 -0.006 -2.910 9.949 1.00 1.22 H new ATOM 0 HB2 LYS A 75 2.963 -3.381 9.965 1.00 2.24 H new ATOM 0 HB3 LYS A 75 2.180 -2.568 11.305 1.00 2.24 H new ATOM 0 HG2 LYS A 75 0.744 -4.444 11.753 1.00 42.23 H new ATOM 0 HG3 LYS A 75 1.099 -5.189 10.207 1.00 42.23 H new ATOM 0 HD2 LYS A 75 3.203 -4.813 12.380 1.00 5.24 H new ATOM 0 HD3 LYS A 75 2.215 -6.254 12.251 1.00 5.24 H new ATOM 0 HE2 LYS A 75 3.052 -6.555 9.872 1.00 61.21 H new ATOM 0 HE3 LYS A 75 4.116 -5.183 10.109 1.00 61.21 H new ATOM 0 HZ1 LYS A 75 5.265 -7.254 10.460 1.00 5.44 H new ATOM 0 HZ2 LYS A 75 5.203 -6.371 11.909 1.00 5.44 H new ATOM 0 HZ3 LYS A 75 4.171 -7.701 11.679 1.00 5.44 H new ATOM 1152 N ILE A 76 0.031 -0.451 9.671 1.00 24.50 N ATOM 1153 CA ILE A 76 0.082 0.977 9.928 1.00 50.32 C ATOM 1154 C ILE A 76 0.407 1.042 11.412 1.00 54.03 C ATOM 1155 O ILE A 76 -0.380 0.575 12.237 1.00 34.52 O ATOM 1156 CB ILE A 76 -1.254 1.689 9.585 1.00 74.13 C ATOM 1157 CG1 ILE A 76 -1.602 1.510 8.091 1.00 43.04 C ATOM 1158 CG2 ILE A 76 -1.164 3.195 9.917 1.00 31.21 C ATOM 1159 CD1 ILE A 76 -2.975 2.056 7.678 1.00 2.23 C ATOM 0 H ILE A 76 -0.904 -0.848 9.759 1.00 24.50 H new ATOM 0 HA ILE A 76 0.814 1.494 9.308 1.00 50.32 H new ATOM 0 HB ILE A 76 -2.041 1.235 10.188 1.00 74.13 H new ATOM 0 HG12 ILE A 76 -0.836 2.003 7.493 1.00 43.04 H new ATOM 0 HG13 ILE A 76 -1.561 0.448 7.848 1.00 43.04 H new ATOM 0 HG21 ILE A 76 -2.109 3.679 9.670 1.00 31.21 H new ATOM 0 HG22 ILE A 76 -0.958 3.322 10.980 1.00 31.21 H new ATOM 0 HG23 ILE A 76 -0.361 3.648 9.335 1.00 31.21 H new ATOM 0 HD11 ILE A 76 -3.129 1.885 6.613 1.00 2.23 H new ATOM 0 HD12 ILE A 76 -3.755 1.546 8.244 1.00 2.23 H new ATOM 0 HD13 ILE A 76 -3.018 3.126 7.883 1.00 2.23 H new ATOM 1171 N GLU A 77 1.578 1.565 11.756 1.00 3.44 N ATOM 1172 CA GLU A 77 1.846 2.045 13.092 1.00 30.24 C ATOM 1173 C GLU A 77 2.079 3.536 13.008 1.00 54.03 C ATOM 1174 O GLU A 77 2.851 3.996 12.163 1.00 14.12 O ATOM 1175 CB GLU A 77 3.051 1.306 13.666 1.00 10.03 C ATOM 1176 CG GLU A 77 2.577 0.189 14.584 1.00 45.34 C ATOM 1177 CD GLU A 77 2.214 0.751 15.965 1.00 51.25 C ATOM 1178 OE1 GLU A 77 1.123 1.349 16.111 1.00 50.02 O ATOM 1179 OE2 GLU A 77 3.041 0.635 16.905 1.00 53.04 O ATOM 0 H GLU A 77 2.363 1.665 11.112 1.00 3.44 H new ATOM 0 HA GLU A 77 1.006 1.857 13.761 1.00 30.24 H new ATOM 0 HB2 GLU A 77 3.656 0.894 12.858 1.00 10.03 H new ATOM 0 HB3 GLU A 77 3.686 1.999 14.218 1.00 10.03 H new ATOM 0 HG2 GLU A 77 1.710 -0.307 14.147 1.00 45.34 H new ATOM 0 HG3 GLU A 77 3.358 -0.564 14.685 1.00 45.34 H new ATOM 1186 N ASP A 78 1.399 4.265 13.885 1.00 2.43 N ATOM 1187 CA ASP A 78 1.174 5.705 13.893 1.00 10.40 C ATOM 1188 C ASP A 78 0.797 6.221 12.493 1.00 25.44 C ATOM 1189 O ASP A 78 -0.384 6.163 12.148 1.00 64.24 O ATOM 1190 CB ASP A 78 2.377 6.427 14.518 1.00 42.24 C ATOM 1191 CG ASP A 78 2.166 7.932 14.667 1.00 41.12 C ATOM 1192 OD1 ASP A 78 1.291 8.526 13.989 1.00 14.43 O ATOM 1193 OD2 ASP A 78 2.909 8.544 15.473 1.00 4.43 O ATOM 0 H ASP A 78 0.948 3.820 14.685 1.00 2.43 H new ATOM 0 HA ASP A 78 0.314 5.932 14.524 1.00 10.40 H new ATOM 0 HB2 ASP A 78 2.581 5.997 15.498 1.00 42.24 H new ATOM 0 HB3 ASP A 78 3.259 6.250 13.902 1.00 42.24 H new ATOM 1198 N ASN A 79 1.768 6.566 11.649 1.00 2.22 N ATOM 1199 CA ASN A 79 1.621 7.239 10.355 1.00 31.53 C ATOM 1200 C ASN A 79 2.526 6.611 9.300 1.00 4.20 C ATOM 1201 O ASN A 79 2.657 7.154 8.201 1.00 63.51 O ATOM 1202 CB ASN A 79 1.971 8.727 10.468 1.00 51.32 C ATOM 1203 CG ASN A 79 3.421 9.001 10.858 1.00 43.25 C ATOM 1204 OD1 ASN A 79 4.029 8.311 11.673 1.00 14.43 O ATOM 1205 ND2 ASN A 79 4.011 10.046 10.307 1.00 32.22 N ATOM 0 H ASN A 79 2.746 6.370 11.864 1.00 2.22 H new ATOM 0 HA ASN A 79 0.579 7.126 10.056 1.00 31.53 H new ATOM 0 HB2 ASN A 79 1.766 9.210 9.513 1.00 51.32 H new ATOM 0 HB3 ASN A 79 1.315 9.188 11.206 1.00 51.32 H new ATOM 0 HD21 ASN A 79 4.971 10.280 10.558 1.00 32.22 H new ATOM 0 HD22 ASN A 79 3.506 10.619 9.630 1.00 32.22 H new ATOM 1212 N GLU A 80 3.189 5.508 9.631 1.00 71.35 N ATOM 1213 CA GLU A 80 4.094 4.801 8.755 1.00 41.14 C ATOM 1214 C GLU A 80 3.400 3.496 8.381 1.00 3.42 C ATOM 1215 O GLU A 80 3.366 2.539 9.162 1.00 14.31 O ATOM 1216 CB GLU A 80 5.448 4.600 9.437 1.00 10.33 C ATOM 1217 CG GLU A 80 6.242 5.906 9.626 1.00 52.05 C ATOM 1218 CD GLU A 80 7.704 5.715 10.054 1.00 13.12 C ATOM 1219 OE1 GLU A 80 8.085 4.598 10.466 1.00 33.32 O ATOM 1220 OE2 GLU A 80 8.481 6.701 9.946 1.00 22.30 O ATOM 0 H GLU A 80 3.103 5.073 10.550 1.00 71.35 H new ATOM 0 HA GLU A 80 4.315 5.361 7.847 1.00 41.14 H new ATOM 0 HB2 GLU A 80 5.290 4.136 10.411 1.00 10.33 H new ATOM 0 HB3 GLU A 80 6.044 3.905 8.846 1.00 10.33 H new ATOM 0 HG2 GLU A 80 6.222 6.465 8.691 1.00 52.05 H new ATOM 0 HG3 GLU A 80 5.736 6.517 10.374 1.00 52.05 H new ATOM 1227 N LEU A 81 2.798 3.485 7.193 1.00 53.13 N ATOM 1228 CA LEU A 81 2.389 2.258 6.534 1.00 4.20 C ATOM 1229 C LEU A 81 3.676 1.543 6.153 1.00 45.41 C ATOM 1230 O LEU A 81 4.491 2.084 5.402 1.00 71.31 O ATOM 1231 CB LEU A 81 1.560 2.569 5.279 1.00 50.25 C ATOM 1232 CG LEU A 81 1.167 1.294 4.498 1.00 74.22 C ATOM 1233 CD1 LEU A 81 -0.157 0.748 5.030 1.00 64.25 C ATOM 1234 CD2 LEU A 81 1.037 1.537 2.998 1.00 64.32 C ATOM 0 H LEU A 81 2.582 4.330 6.664 1.00 53.13 H new ATOM 0 HA LEU A 81 1.765 1.645 7.185 1.00 4.20 H new ATOM 0 HB2 LEU A 81 0.657 3.107 5.568 1.00 50.25 H new ATOM 0 HB3 LEU A 81 2.130 3.230 4.626 1.00 50.25 H new ATOM 0 HG LEU A 81 1.970 0.573 4.648 1.00 74.22 H new ATOM 0 HD11 LEU A 81 -0.429 -0.150 4.476 1.00 64.25 H new ATOM 0 HD12 LEU A 81 -0.052 0.504 6.087 1.00 64.25 H new ATOM 0 HD13 LEU A 81 -0.936 1.500 4.907 1.00 64.25 H new ATOM 0 HD21 LEU A 81 0.760 0.607 2.501 1.00 64.32 H new ATOM 0 HD22 LEU A 81 0.269 2.289 2.816 1.00 64.32 H new ATOM 0 HD23 LEU A 81 1.990 1.889 2.603 1.00 64.32 H new ATOM 1246 N LYS A 82 3.877 0.334 6.660 1.00 70.35 N ATOM 1247 CA LYS A 82 4.961 -0.523 6.222 1.00 62.15 C ATOM 1248 C LYS A 82 4.370 -1.851 5.802 1.00 25.23 C ATOM 1249 O LYS A 82 3.433 -2.337 6.449 1.00 32.21 O ATOM 1250 CB LYS A 82 5.957 -0.720 7.361 1.00 71.24 C ATOM 1251 CG LYS A 82 6.608 0.584 7.845 1.00 70.33 C ATOM 1252 CD LYS A 82 7.092 0.486 9.299 1.00 12.13 C ATOM 1253 CE LYS A 82 6.218 1.356 10.210 1.00 12.34 C ATOM 1254 NZ LYS A 82 6.273 0.949 11.627 1.00 42.24 N ATOM 0 H LYS A 82 3.291 -0.077 7.387 1.00 70.35 H new ATOM 0 HA LYS A 82 5.490 -0.071 5.383 1.00 62.15 H new ATOM 0 HB2 LYS A 82 5.447 -1.194 8.200 1.00 71.24 H new ATOM 0 HB3 LYS A 82 6.738 -1.406 7.034 1.00 71.24 H new ATOM 0 HG2 LYS A 82 7.451 0.829 7.199 1.00 70.33 H new ATOM 0 HG3 LYS A 82 5.891 1.400 7.757 1.00 70.33 H new ATOM 0 HD2 LYS A 82 7.057 -0.551 9.632 1.00 12.13 H new ATOM 0 HD3 LYS A 82 8.131 0.807 9.366 1.00 12.13 H new ATOM 0 HE2 LYS A 82 6.536 2.395 10.124 1.00 12.34 H new ATOM 0 HE3 LYS A 82 5.185 1.309 9.865 1.00 12.34 H new ATOM 0 HZ1 LYS A 82 5.663 1.574 12.192 1.00 42.24 H new ATOM 0 HZ2 LYS A 82 5.943 -0.033 11.719 1.00 42.24 H new ATOM 0 HZ3 LYS A 82 7.252 1.019 11.971 1.00 42.24 H new ATOM 1268 N VAL A 83 4.947 -2.465 4.777 1.00 53.44 N ATOM 1269 CA VAL A 83 4.560 -3.789 4.323 1.00 14.02 C ATOM 1270 C VAL A 83 5.812 -4.644 4.274 1.00 25.52 C ATOM 1271 O VAL A 83 6.889 -4.146 3.934 1.00 31.42 O ATOM 1272 CB VAL A 83 3.801 -3.741 2.977 1.00 53.25 C ATOM 1273 CG1 VAL A 83 2.679 -2.692 3.001 1.00 70.14 C ATOM 1274 CG2 VAL A 83 4.705 -3.477 1.764 1.00 72.24 C ATOM 0 H VAL A 83 5.705 -2.051 4.234 1.00 53.44 H new ATOM 0 HA VAL A 83 3.851 -4.236 5.020 1.00 14.02 H new ATOM 0 HB VAL A 83 3.378 -4.739 2.860 1.00 53.25 H new ATOM 0 HG11 VAL A 83 2.166 -2.685 2.039 1.00 70.14 H new ATOM 0 HG12 VAL A 83 1.968 -2.938 3.789 1.00 70.14 H new ATOM 0 HG13 VAL A 83 3.106 -1.707 3.192 1.00 70.14 H new ATOM 0 HG21 VAL A 83 4.101 -3.458 0.857 1.00 72.24 H new ATOM 0 HG22 VAL A 83 5.207 -2.517 1.886 1.00 72.24 H new ATOM 0 HG23 VAL A 83 5.450 -4.269 1.686 1.00 72.24 H new ATOM 1284 N ILE A 84 5.665 -5.929 4.582 1.00 12.11 N ATOM 1285 CA ILE A 84 6.692 -6.935 4.373 1.00 73.44 C ATOM 1286 C ILE A 84 6.033 -8.009 3.517 1.00 1.31 C ATOM 1287 O ILE A 84 4.878 -8.377 3.751 1.00 31.10 O ATOM 1288 CB ILE A 84 7.232 -7.447 5.725 1.00 44.15 C ATOM 1289 CG1 ILE A 84 7.974 -6.316 6.473 1.00 11.40 C ATOM 1290 CG2 ILE A 84 8.196 -8.635 5.531 1.00 3.42 C ATOM 1291 CD1 ILE A 84 7.989 -6.527 7.982 1.00 51.01 C ATOM 0 H ILE A 84 4.810 -6.304 4.992 1.00 12.11 H new ATOM 0 HA ILE A 84 7.574 -6.550 3.861 1.00 73.44 H new ATOM 0 HB ILE A 84 6.376 -7.779 6.312 1.00 44.15 H new ATOM 0 HG12 ILE A 84 8.999 -6.255 6.108 1.00 11.40 H new ATOM 0 HG13 ILE A 84 7.498 -5.362 6.247 1.00 11.40 H new ATOM 0 HG21 ILE A 84 8.558 -8.972 6.502 1.00 3.42 H new ATOM 0 HG22 ILE A 84 7.671 -9.452 5.036 1.00 3.42 H new ATOM 0 HG23 ILE A 84 9.041 -8.322 4.917 1.00 3.42 H new ATOM 0 HD11 ILE A 84 8.522 -5.705 8.459 1.00 51.01 H new ATOM 0 HD12 ILE A 84 6.965 -6.560 8.355 1.00 51.01 H new ATOM 0 HD13 ILE A 84 8.490 -7.467 8.213 1.00 51.01 H new ATOM 1303 N ILE A 85 6.767 -8.476 2.515 1.00 42.15 N ATOM 1304 CA ILE A 85 6.340 -9.419 1.498 1.00 11.30 C ATOM 1305 C ILE A 85 7.368 -10.540 1.522 1.00 14.22 C ATOM 1306 O ILE A 85 8.565 -10.259 1.479 1.00 13.31 O ATOM 1307 CB ILE A 85 6.272 -8.752 0.103 1.00 22.33 C ATOM 1308 CG1 ILE A 85 5.730 -7.305 0.185 1.00 13.22 C ATOM 1309 CG2 ILE A 85 5.453 -9.680 -0.818 1.00 65.33 C ATOM 1310 CD1 ILE A 85 5.590 -6.601 -1.161 1.00 63.44 C ATOM 0 H ILE A 85 7.736 -8.186 2.386 1.00 42.15 H new ATOM 0 HA ILE A 85 5.336 -9.792 1.698 1.00 11.30 H new ATOM 0 HB ILE A 85 7.269 -8.636 -0.322 1.00 22.33 H new ATOM 0 HG12 ILE A 85 4.756 -7.323 0.673 1.00 13.22 H new ATOM 0 HG13 ILE A 85 6.394 -6.718 0.820 1.00 13.22 H new ATOM 0 HG21 ILE A 85 5.385 -9.238 -1.812 1.00 65.33 H new ATOM 0 HG22 ILE A 85 5.943 -10.651 -0.885 1.00 65.33 H new ATOM 0 HG23 ILE A 85 4.451 -9.807 -0.408 1.00 65.33 H new ATOM 0 HD11 ILE A 85 5.204 -5.594 -1.006 1.00 63.44 H new ATOM 0 HD12 ILE A 85 6.565 -6.546 -1.646 1.00 63.44 H new ATOM 0 HD13 ILE A 85 4.901 -7.160 -1.794 1.00 63.44 H new ATOM 1322 N ASN A 86 6.899 -11.780 1.632 1.00 53.31 N ATOM 1323 CA ASN A 86 7.763 -12.946 1.726 1.00 62.54 C ATOM 1324 C ASN A 86 8.219 -13.388 0.349 1.00 33.22 C ATOM 1325 O ASN A 86 7.656 -13.007 -0.678 1.00 52.00 O ATOM 1326 CB ASN A 86 7.056 -14.119 2.424 1.00 1.32 C ATOM 1327 CG ASN A 86 7.014 -13.906 3.919 1.00 62.44 C ATOM 1328 OD1 ASN A 86 7.779 -14.488 4.679 1.00 4.31 O ATOM 1329 ND2 ASN A 86 6.128 -13.047 4.371 1.00 3.22 N ATOM 0 H ASN A 86 5.904 -12.002 1.658 1.00 53.31 H new ATOM 0 HA ASN A 86 8.628 -12.656 2.322 1.00 62.54 H new ATOM 0 HB2 ASN A 86 6.042 -14.220 2.038 1.00 1.32 H new ATOM 0 HB3 ASN A 86 7.577 -15.050 2.199 1.00 1.32 H new ATOM 0 HD21 ASN A 86 6.068 -12.854 5.371 1.00 3.22 H new ATOM 0 HD22 ASN A 86 5.500 -12.573 3.722 1.00 3.22 H new ATOM 1336 N ARG A 87 9.191 -14.290 0.365 1.00 2.12 N ATOM 1337 CA ARG A 87 9.638 -15.058 -0.782 1.00 10.02 C ATOM 1338 C ARG A 87 8.490 -15.922 -1.308 1.00 13.33 C ATOM 1339 O ARG A 87 7.700 -16.453 -0.522 1.00 50.20 O ATOM 1340 CB ARG A 87 10.906 -15.804 -0.338 1.00 23.41 C ATOM 1341 CG ARG A 87 11.416 -16.889 -1.278 1.00 4.01 C ATOM 1342 CD ARG A 87 10.705 -18.240 -1.146 1.00 62.14 C ATOM 1343 NE ARG A 87 11.679 -19.338 -1.261 1.00 70.24 N ATOM 1344 CZ ARG A 87 12.427 -19.836 -0.269 1.00 10.41 C ATOM 1345 NH1 ARG A 87 12.163 -19.548 1.001 1.00 74.44 N ATOM 1346 NH2 ARG A 87 13.463 -20.619 -0.534 1.00 1.25 N ATOM 0 H ARG A 87 9.709 -14.514 1.215 1.00 2.12 H new ATOM 0 HA ARG A 87 9.911 -14.448 -1.643 1.00 10.02 H new ATOM 0 HB2 ARG A 87 11.701 -15.072 -0.197 1.00 23.41 H new ATOM 0 HB3 ARG A 87 10.713 -16.257 0.635 1.00 23.41 H new ATOM 0 HG2 ARG A 87 11.312 -16.539 -2.305 1.00 4.01 H new ATOM 0 HG3 ARG A 87 12.481 -17.036 -1.097 1.00 4.01 H new ATOM 0 HD2 ARG A 87 10.192 -18.298 -0.186 1.00 62.14 H new ATOM 0 HD3 ARG A 87 9.944 -18.336 -1.920 1.00 62.14 H new ATOM 0 HE ARG A 87 11.795 -19.759 -2.183 1.00 70.24 H new ATOM 0 HH11 ARG A 87 11.379 -18.938 1.233 1.00 74.44 H new ATOM 0 HH12 ARG A 87 12.744 -19.937 1.744 1.00 74.44 H new ATOM 0 HH21 ARG A 87 13.696 -20.847 -1.501 1.00 1.25 H new ATOM 0 HH22 ARG A 87 14.027 -20.994 0.229 1.00 1.25 H new ATOM 1360 N ASN A 88 8.403 -16.064 -2.629 1.00 32.55 N ATOM 1361 CA ASN A 88 7.441 -16.879 -3.360 1.00 65.22 C ATOM 1362 C ASN A 88 8.113 -18.195 -3.708 1.00 23.32 C ATOM 1363 O ASN A 88 9.220 -18.198 -4.245 1.00 11.12 O ATOM 1364 CB ASN A 88 7.013 -16.159 -4.658 1.00 3.41 C ATOM 1365 CG ASN A 88 6.019 -16.925 -5.529 1.00 61.35 C ATOM 1366 OD1 ASN A 88 5.523 -18.000 -5.199 1.00 70.15 O ATOM 1367 ND2 ASN A 88 5.706 -16.379 -6.690 1.00 30.20 N ATOM 0 H ASN A 88 9.046 -15.580 -3.256 1.00 32.55 H new ATOM 0 HA ASN A 88 6.554 -17.049 -2.750 1.00 65.22 H new ATOM 0 HB2 ASN A 88 6.574 -15.197 -4.393 1.00 3.41 H new ATOM 0 HB3 ASN A 88 7.904 -15.950 -5.250 1.00 3.41 H new ATOM 0 HD21 ASN A 88 5.051 -16.850 -7.315 1.00 30.20 H new ATOM 0 HD22 ASN A 88 6.119 -15.487 -6.962 1.00 30.20 H new ATOM 1374 N GLU A 89 7.472 -19.313 -3.388 1.00 21.15 N ATOM 1375 CA GLU A 89 8.002 -20.656 -3.608 1.00 30.31 C ATOM 1376 C GLU A 89 7.485 -21.284 -4.910 1.00 23.34 C ATOM 1377 O GLU A 89 7.928 -22.382 -5.256 1.00 73.40 O ATOM 1378 CB GLU A 89 7.746 -21.542 -2.369 1.00 24.51 C ATOM 1379 CG GLU A 89 6.348 -21.392 -1.726 1.00 34.23 C ATOM 1380 CD GLU A 89 6.153 -22.179 -0.425 1.00 45.21 C ATOM 1381 OE1 GLU A 89 7.142 -22.677 0.152 1.00 4.23 O ATOM 1382 OE2 GLU A 89 5.001 -22.260 0.065 1.00 45.35 O ATOM 0 H GLU A 89 6.547 -19.312 -2.958 1.00 21.15 H new ATOM 0 HA GLU A 89 9.081 -20.577 -3.739 1.00 30.31 H new ATOM 0 HB2 GLU A 89 7.887 -22.585 -2.653 1.00 24.51 H new ATOM 0 HB3 GLU A 89 8.500 -21.312 -1.616 1.00 24.51 H new ATOM 0 HG2 GLU A 89 6.166 -20.336 -1.526 1.00 34.23 H new ATOM 0 HG3 GLU A 89 5.596 -21.714 -2.446 1.00 34.23 H new ATOM 1389 N THR A 90 6.598 -20.614 -5.654 1.00 30.14 N ATOM 1390 CA THR A 90 5.862 -21.202 -6.772 1.00 53.43 C ATOM 1391 C THR A 90 6.124 -20.498 -8.107 1.00 64.12 C ATOM 1392 O THR A 90 6.406 -19.300 -8.155 1.00 62.54 O ATOM 1393 CB THR A 90 4.360 -21.248 -6.444 1.00 32.52 C ATOM 1394 OG1 THR A 90 3.816 -20.020 -5.979 1.00 52.14 O ATOM 1395 CG2 THR A 90 4.062 -22.321 -5.398 1.00 65.51 C ATOM 0 H THR A 90 6.370 -19.633 -5.492 1.00 30.14 H new ATOM 0 HA THR A 90 6.231 -22.219 -6.902 1.00 53.43 H new ATOM 0 HB THR A 90 3.884 -21.477 -7.397 1.00 32.52 H new ATOM 0 HG1 THR A 90 4.542 -19.382 -5.816 1.00 52.14 H new ATOM 0 HG21 THR A 90 2.993 -22.333 -5.184 1.00 65.51 H new ATOM 0 HG22 THR A 90 4.367 -23.296 -5.779 1.00 65.51 H new ATOM 0 HG23 THR A 90 4.613 -22.101 -4.484 1.00 65.51 H new ATOM 1403 N ASN A 91 5.946 -21.243 -9.202 1.00 31.40 N ATOM 1404 CA ASN A 91 6.128 -20.807 -10.590 1.00 33.24 C ATOM 1405 C ASN A 91 5.063 -19.813 -11.087 1.00 74.45 C ATOM 1406 O ASN A 91 5.145 -19.358 -12.230 1.00 43.15 O ATOM 1407 CB ASN A 91 6.192 -22.019 -11.527 1.00 33.52 C ATOM 1408 CG ASN A 91 4.869 -22.757 -11.550 1.00 32.13 C ATOM 1409 OD1 ASN A 91 3.906 -22.347 -12.186 1.00 32.42 O ATOM 1410 ND2 ASN A 91 4.751 -23.798 -10.750 1.00 53.15 N ATOM 0 H ASN A 91 5.655 -22.219 -9.141 1.00 31.40 H new ATOM 0 HA ASN A 91 7.075 -20.267 -10.605 1.00 33.24 H new ATOM 0 HB2 ASN A 91 6.447 -21.691 -12.535 1.00 33.52 H new ATOM 0 HB3 ASN A 91 6.984 -22.694 -11.201 1.00 33.52 H new ATOM 0 HD21 ASN A 91 3.852 -24.270 -10.656 1.00 53.15 H new ATOM 0 HD22 ASN A 91 5.559 -24.132 -10.225 1.00 53.15 H new ATOM 1417 N ALA A 92 4.084 -19.438 -10.257 1.00 5.03 N ATOM 1418 CA ALA A 92 3.094 -18.425 -10.598 1.00 44.12 C ATOM 1419 C ALA A 92 3.477 -17.110 -9.938 1.00 52.03 C ATOM 1420 O ALA A 92 3.704 -17.062 -8.725 1.00 34.13 O ATOM 1421 CB ALA A 92 1.692 -18.831 -10.155 1.00 24.22 C ATOM 0 H ALA A 92 3.960 -19.834 -9.325 1.00 5.03 H new ATOM 0 HA ALA A 92 3.080 -18.316 -11.682 1.00 44.12 H new ATOM 0 HB1 ALA A 92 0.983 -18.049 -10.428 1.00 24.22 H new ATOM 0 HB2 ALA A 92 1.411 -19.763 -10.646 1.00 24.22 H new ATOM 0 HB3 ALA A 92 1.678 -18.972 -9.074 1.00 24.22 H new ATOM 1427 N SER A 93 3.506 -16.035 -10.717 1.00 42.23 N ATOM 1428 CA SER A 93 3.425 -14.689 -10.227 1.00 23.43 C ATOM 1429 C SER A 93 2.051 -14.406 -9.638 1.00 74.54 C ATOM 1430 O SER A 93 1.136 -15.231 -9.733 1.00 14.04 O ATOM 1431 CB SER A 93 3.813 -13.783 -11.387 1.00 62.55 C ATOM 1432 OG SER A 93 2.731 -13.320 -12.168 1.00 34.50 O ATOM 0 H SER A 93 3.589 -16.091 -11.732 1.00 42.23 H new ATOM 0 HA SER A 93 4.109 -14.507 -9.398 1.00 23.43 H new ATOM 0 HB2 SER A 93 4.352 -12.922 -10.992 1.00 62.55 H new ATOM 0 HB3 SER A 93 4.505 -14.322 -12.034 1.00 62.55 H new ATOM 0 HG SER A 93 3.069 -12.746 -12.887 1.00 34.50 H new ATOM 1438 N ARG A 94 1.923 -13.252 -9.005 1.00 44.43 N ATOM 1439 CA ARG A 94 0.707 -12.807 -8.337 1.00 13.14 C ATOM 1440 C ARG A 94 0.764 -11.286 -8.196 1.00 30.23 C ATOM 1441 O ARG A 94 1.796 -10.676 -8.484 1.00 44.31 O ATOM 1442 CB ARG A 94 0.578 -13.525 -6.973 1.00 62.41 C ATOM 1443 CG ARG A 94 1.874 -13.518 -6.145 1.00 23.32 C ATOM 1444 CD ARG A 94 2.776 -14.753 -6.296 1.00 5.33 C ATOM 1445 NE ARG A 94 2.410 -15.803 -5.337 1.00 24.43 N ATOM 1446 CZ ARG A 94 1.850 -16.993 -5.554 1.00 61.13 C ATOM 1447 NH1 ARG A 94 1.627 -17.437 -6.787 1.00 62.52 N ATOM 1448 NH2 ARG A 94 1.487 -17.746 -4.527 1.00 54.41 N ATOM 0 H ARG A 94 2.685 -12.577 -8.939 1.00 44.43 H new ATOM 0 HA ARG A 94 -0.180 -13.061 -8.917 1.00 13.14 H new ATOM 0 HB2 ARG A 94 -0.214 -13.049 -6.395 1.00 62.41 H new ATOM 0 HB3 ARG A 94 0.272 -14.557 -7.143 1.00 62.41 H new ATOM 0 HG2 ARG A 94 2.452 -12.635 -6.418 1.00 23.32 H new ATOM 0 HG3 ARG A 94 1.609 -13.412 -5.093 1.00 23.32 H new ATOM 0 HD2 ARG A 94 2.697 -15.142 -7.311 1.00 5.33 H new ATOM 0 HD3 ARG A 94 3.817 -14.466 -6.145 1.00 5.33 H new ATOM 0 HE ARG A 94 2.614 -15.590 -4.361 1.00 24.43 H new ATOM 0 HH11 ARG A 94 1.886 -16.864 -7.590 1.00 62.52 H new ATOM 0 HH12 ARG A 94 1.197 -18.351 -6.930 1.00 62.52 H new ATOM 0 HH21 ARG A 94 1.636 -17.415 -3.574 1.00 54.41 H new ATOM 0 HH22 ARG A 94 1.058 -18.657 -4.689 1.00 54.41 H new ATOM 1462 N SER A 95 -0.307 -10.663 -7.722 1.00 33.20 N ATOM 1463 CA SER A 95 -0.298 -9.254 -7.364 1.00 70.41 C ATOM 1464 C SER A 95 -1.064 -9.034 -6.069 1.00 52.03 C ATOM 1465 O SER A 95 -1.748 -9.926 -5.563 1.00 74.14 O ATOM 1466 CB SER A 95 -0.801 -8.377 -8.531 1.00 32.44 C ATOM 1467 OG SER A 95 -1.859 -8.979 -9.266 1.00 4.21 O ATOM 0 H SER A 95 -1.206 -11.122 -7.575 1.00 33.20 H new ATOM 0 HA SER A 95 0.729 -8.939 -7.179 1.00 70.41 H new ATOM 0 HB2 SER A 95 -1.140 -7.419 -8.137 1.00 32.44 H new ATOM 0 HB3 SER A 95 0.030 -8.169 -9.206 1.00 32.44 H new ATOM 0 HG SER A 95 -2.137 -8.379 -9.989 1.00 4.21 H new ATOM 1473 N PHE A 96 -0.926 -7.828 -5.536 1.00 33.13 N ATOM 1474 CA PHE A 96 -1.626 -7.322 -4.375 1.00 1.24 C ATOM 1475 C PHE A 96 -2.115 -5.910 -4.705 1.00 73.22 C ATOM 1476 O PHE A 96 -1.695 -5.297 -5.694 1.00 70.31 O ATOM 1477 CB PHE A 96 -0.667 -7.309 -3.169 1.00 74.25 C ATOM 1478 CG PHE A 96 -1.110 -8.152 -1.997 1.00 13.04 C ATOM 1479 CD1 PHE A 96 -2.152 -7.728 -1.151 1.00 14.22 C ATOM 1480 CD2 PHE A 96 -0.476 -9.382 -1.763 1.00 14.44 C ATOM 1481 CE1 PHE A 96 -2.623 -8.570 -0.130 1.00 1.44 C ATOM 1482 CE2 PHE A 96 -0.954 -10.224 -0.742 1.00 30.34 C ATOM 1483 CZ PHE A 96 -2.037 -9.830 0.062 1.00 25.53 C ATOM 0 H PHE A 96 -0.284 -7.140 -5.929 1.00 33.13 H new ATOM 0 HA PHE A 96 -2.478 -7.952 -4.120 1.00 1.24 H new ATOM 0 HB2 PHE A 96 0.312 -7.656 -3.498 1.00 74.25 H new ATOM 0 HB3 PHE A 96 -0.544 -6.280 -2.832 1.00 74.25 H new ATOM 0 HD1 PHE A 96 -2.591 -6.751 -1.287 1.00 14.22 H new ATOM 0 HD2 PHE A 96 0.372 -9.680 -2.362 1.00 14.44 H new ATOM 0 HE1 PHE A 96 -3.434 -8.248 0.506 1.00 1.44 H new ATOM 0 HE2 PHE A 96 -0.484 -11.182 -0.575 1.00 30.34 H new ATOM 0 HZ PHE A 96 -2.417 -10.494 0.824 1.00 25.53 H new ATOM 1493 N THR A 97 -2.985 -5.343 -3.881 1.00 74.42 N ATOM 1494 CA THR A 97 -3.234 -3.908 -3.873 1.00 52.15 C ATOM 1495 C THR A 97 -3.602 -3.502 -2.459 1.00 53.33 C ATOM 1496 O THR A 97 -4.392 -4.185 -1.799 1.00 45.14 O ATOM 1497 CB THR A 97 -4.349 -3.513 -4.858 1.00 74.52 C ATOM 1498 OG1 THR A 97 -4.156 -4.163 -6.097 1.00 72.21 O ATOM 1499 CG2 THR A 97 -4.412 -2.001 -5.093 1.00 2.41 C ATOM 0 H THR A 97 -3.538 -5.864 -3.200 1.00 74.42 H new ATOM 0 HA THR A 97 -2.334 -3.387 -4.198 1.00 52.15 H new ATOM 0 HB THR A 97 -5.292 -3.824 -4.409 1.00 74.52 H new ATOM 0 HG1 THR A 97 -4.482 -5.085 -6.037 1.00 72.21 H new ATOM 0 HG21 THR A 97 -5.215 -1.775 -5.795 1.00 2.41 H new ATOM 0 HG22 THR A 97 -4.603 -1.493 -4.148 1.00 2.41 H new ATOM 0 HG23 THR A 97 -3.463 -1.657 -5.504 1.00 2.41 H new ATOM 1507 N VAL A 98 -3.052 -2.376 -2.020 1.00 50.41 N ATOM 1508 CA VAL A 98 -3.506 -1.634 -0.864 1.00 22.23 C ATOM 1509 C VAL A 98 -3.991 -0.299 -1.410 1.00 5.33 C ATOM 1510 O VAL A 98 -3.312 0.329 -2.225 1.00 63.21 O ATOM 1511 CB VAL A 98 -2.381 -1.476 0.189 1.00 61.41 C ATOM 1512 CG1 VAL A 98 -2.078 -2.779 0.940 1.00 12.01 C ATOM 1513 CG2 VAL A 98 -1.068 -0.945 -0.384 1.00 5.34 C ATOM 0 H VAL A 98 -2.250 -1.945 -2.480 1.00 50.41 H new ATOM 0 HA VAL A 98 -4.306 -2.151 -0.334 1.00 22.23 H new ATOM 0 HB VAL A 98 -2.786 -0.737 0.881 1.00 61.41 H new ATOM 0 HG11 VAL A 98 -1.282 -2.605 1.664 1.00 12.01 H new ATOM 0 HG12 VAL A 98 -2.974 -3.116 1.461 1.00 12.01 H new ATOM 0 HG13 VAL A 98 -1.762 -3.543 0.230 1.00 12.01 H new ATOM 0 HG21 VAL A 98 -0.330 -0.862 0.414 1.00 5.34 H new ATOM 0 HG22 VAL A 98 -0.701 -1.630 -1.148 1.00 5.34 H new ATOM 0 HG23 VAL A 98 -1.235 0.037 -0.827 1.00 5.34 H new ATOM 1523 N CYS A 99 -5.154 0.156 -0.962 1.00 2.24 N ATOM 1524 CA CYS A 99 -5.480 1.565 -0.999 1.00 11.44 C ATOM 1525 C CYS A 99 -6.003 1.919 0.373 1.00 33.30 C ATOM 1526 O CYS A 99 -6.755 1.153 0.994 1.00 71.41 O ATOM 1527 CB CYS A 99 -6.500 1.873 -2.086 1.00 42.34 C ATOM 1528 SG CYS A 99 -6.641 3.672 -2.326 1.00 62.25 S ATOM 0 H CYS A 99 -5.885 -0.437 -0.569 1.00 2.24 H new ATOM 0 HA CYS A 99 -4.601 2.162 -1.243 1.00 11.44 H new ATOM 0 HB2 CYS A 99 -6.202 1.397 -3.020 1.00 42.34 H new ATOM 0 HB3 CYS A 99 -7.470 1.458 -1.812 1.00 42.34 H new ATOM 0 HG CYS A 99 -6.886 4.244 -1.185 1.00 62.25 H new ATOM 1534 N VAL A 100 -5.552 3.065 0.845 1.00 73.25 N ATOM 1535 CA VAL A 100 -6.016 3.665 2.082 1.00 33.10 C ATOM 1536 C VAL A 100 -7.039 4.754 1.747 1.00 24.52 C ATOM 1537 O VAL A 100 -7.251 5.059 0.567 1.00 3.30 O ATOM 1538 CB VAL A 100 -4.792 4.149 2.892 1.00 50.35 C ATOM 1539 CG1 VAL A 100 -3.927 2.932 3.269 1.00 22.44 C ATOM 1540 CG2 VAL A 100 -3.915 5.140 2.114 1.00 30.22 C ATOM 0 H VAL A 100 -4.838 3.617 0.370 1.00 73.25 H new ATOM 0 HA VAL A 100 -6.535 2.951 2.722 1.00 33.10 H new ATOM 0 HB VAL A 100 -5.175 4.663 3.774 1.00 50.35 H new ATOM 0 HG11 VAL A 100 -3.061 3.264 3.841 1.00 22.44 H new ATOM 0 HG12 VAL A 100 -4.516 2.240 3.871 1.00 22.44 H new ATOM 0 HG13 VAL A 100 -3.592 2.429 2.362 1.00 22.44 H new ATOM 0 HG21 VAL A 100 -3.072 5.444 2.734 1.00 30.22 H new ATOM 0 HG22 VAL A 100 -3.545 4.663 1.206 1.00 30.22 H new ATOM 0 HG23 VAL A 100 -4.505 6.017 1.848 1.00 30.22 H new ATOM 1550 N GLU A 101 -7.667 5.340 2.760 1.00 30.44 N ATOM 1551 CA GLU A 101 -8.272 6.660 2.668 1.00 5.13 C ATOM 1552 C GLU A 101 -7.792 7.434 3.895 1.00 63.13 C ATOM 1553 O GLU A 101 -7.671 6.851 4.981 1.00 31.53 O ATOM 1554 CB GLU A 101 -9.810 6.586 2.533 1.00 53.11 C ATOM 1555 CG GLU A 101 -10.599 6.094 3.750 1.00 2.10 C ATOM 1556 CD GLU A 101 -12.044 5.713 3.374 1.00 1.20 C ATOM 1557 OE1 GLU A 101 -12.271 4.575 2.893 1.00 62.32 O ATOM 1558 OE2 GLU A 101 -12.960 6.545 3.576 1.00 1.11 O ATOM 0 H GLU A 101 -7.771 4.906 3.677 1.00 30.44 H new ATOM 0 HA GLU A 101 -7.964 7.182 1.762 1.00 5.13 H new ATOM 0 HB2 GLU A 101 -10.174 7.580 2.274 1.00 53.11 H new ATOM 0 HB3 GLU A 101 -10.044 5.932 1.693 1.00 53.11 H new ATOM 0 HG2 GLU A 101 -10.096 5.230 4.185 1.00 2.10 H new ATOM 0 HG3 GLU A 101 -10.614 6.872 4.513 1.00 2.10 H new ATOM 1565 N ALA A 102 -7.527 8.732 3.731 1.00 64.35 N ATOM 1566 CA ALA A 102 -7.203 9.679 4.798 1.00 21.20 C ATOM 1567 C ALA A 102 -8.333 10.711 4.949 1.00 2.30 C ATOM 1568 O ALA A 102 -8.089 11.870 5.298 1.00 31.42 O ATOM 1569 CB ALA A 102 -5.830 10.325 4.557 1.00 4.12 C ATOM 0 H ALA A 102 -7.533 9.170 2.810 1.00 64.35 H new ATOM 0 HA ALA A 102 -7.128 9.145 5.745 1.00 21.20 H new ATOM 0 HB1 ALA A 102 -5.611 11.025 5.363 1.00 4.12 H new ATOM 0 HB2 ALA A 102 -5.063 9.551 4.530 1.00 4.12 H new ATOM 0 HB3 ALA A 102 -5.841 10.858 3.606 1.00 4.12 H new ATOM 1575 N GLY A 103 -9.569 10.331 4.613 1.00 24.11 N ATOM 1576 CA GLY A 103 -10.768 11.151 4.714 1.00 45.32 C ATOM 1577 C GLY A 103 -10.917 12.068 3.508 1.00 73.24 C ATOM 1578 O GLY A 103 -11.989 12.128 2.908 1.00 22.10 O ATOM 0 H GLY A 103 -9.764 9.399 4.247 1.00 24.11 H new ATOM 0 HA2 GLY A 103 -11.645 10.508 4.795 1.00 45.32 H new ATOM 0 HA3 GLY A 103 -10.726 11.749 5.625 1.00 45.32 H new ATOM 1582 N ASN A 104 -9.845 12.760 3.131 1.00 3.23 N ATOM 1583 CA ASN A 104 -9.815 13.709 2.023 1.00 5.20 C ATOM 1584 C ASN A 104 -8.539 13.471 1.219 1.00 12.32 C ATOM 1585 O ASN A 104 -7.919 14.426 0.762 1.00 21.11 O ATOM 1586 CB ASN A 104 -9.923 15.160 2.522 1.00 43.32 C ATOM 1587 CG ASN A 104 -11.190 15.399 3.328 1.00 10.13 C ATOM 1588 OD1 ASN A 104 -11.318 14.953 4.465 1.00 64.13 O ATOM 1589 ND2 ASN A 104 -12.168 16.068 2.750 1.00 13.11 N ATOM 0 H ASN A 104 -8.945 12.673 3.604 1.00 3.23 H new ATOM 0 HA ASN A 104 -10.679 13.550 1.377 1.00 5.20 H new ATOM 0 HB2 ASN A 104 -9.054 15.397 3.136 1.00 43.32 H new ATOM 0 HB3 ASN A 104 -9.904 15.838 1.669 1.00 43.32 H new ATOM 0 HD21 ASN A 104 -13.045 16.221 3.248 1.00 13.11 H new ATOM 0 HD22 ASN A 104 -12.048 16.433 1.805 1.00 13.11 H new ATOM 1596 N ALA A 105 -8.102 12.214 1.104 1.00 11.12 N ATOM 1597 CA ALA A 105 -7.092 11.782 0.155 1.00 65.41 C ATOM 1598 C ALA A 105 -7.142 10.260 0.031 1.00 71.53 C ATOM 1599 O ALA A 105 -7.525 9.581 0.991 1.00 65.52 O ATOM 1600 CB ALA A 105 -5.698 12.196 0.635 1.00 51.15 C ATOM 0 H ALA A 105 -8.455 11.455 1.687 1.00 11.12 H new ATOM 0 HA ALA A 105 -7.290 12.248 -0.810 1.00 65.41 H new ATOM 0 HB1 ALA A 105 -4.951 11.865 -0.087 1.00 51.15 H new ATOM 0 HB2 ALA A 105 -5.654 13.281 0.731 1.00 51.15 H new ATOM 0 HB3 ALA A 105 -5.495 11.737 1.603 1.00 51.15 H new ATOM 1606 N PHE A 106 -6.667 9.739 -1.098 1.00 22.10 N ATOM 1607 CA PHE A 106 -6.474 8.328 -1.377 1.00 61.14 C ATOM 1608 C PHE A 106 -5.155 8.196 -2.126 1.00 5.33 C ATOM 1609 O PHE A 106 -4.911 8.932 -3.085 1.00 3.31 O ATOM 1610 CB PHE A 106 -7.598 7.804 -2.278 1.00 30.24 C ATOM 1611 CG PHE A 106 -9.006 8.091 -1.805 1.00 50.05 C ATOM 1612 CD1 PHE A 106 -9.675 7.170 -0.983 1.00 63.15 C ATOM 1613 CD2 PHE A 106 -9.668 9.257 -2.236 1.00 12.01 C ATOM 1614 CE1 PHE A 106 -11.001 7.412 -0.596 1.00 13.20 C ATOM 1615 CE2 PHE A 106 -10.994 9.501 -1.844 1.00 23.13 C ATOM 1616 CZ PHE A 106 -11.662 8.573 -1.031 1.00 24.51 C ATOM 0 H PHE A 106 -6.392 10.328 -1.884 1.00 22.10 H new ATOM 0 HA PHE A 106 -6.474 7.759 -0.448 1.00 61.14 H new ATOM 0 HB2 PHE A 106 -7.473 8.235 -3.271 1.00 30.24 H new ATOM 0 HB3 PHE A 106 -7.482 6.725 -2.382 1.00 30.24 H new ATOM 0 HD1 PHE A 106 -9.169 6.276 -0.649 1.00 63.15 H new ATOM 0 HD2 PHE A 106 -9.155 9.965 -2.870 1.00 12.01 H new ATOM 0 HE1 PHE A 106 -11.515 6.705 0.038 1.00 13.20 H new ATOM 0 HE2 PHE A 106 -11.498 10.400 -2.167 1.00 23.13 H new ATOM 0 HZ PHE A 106 -12.686 8.751 -0.739 1.00 24.51 H new ATOM 1626 N ASP A 107 -4.324 7.234 -1.744 1.00 53.15 N ATOM 1627 CA ASP A 107 -3.109 6.901 -2.471 1.00 73.43 C ATOM 1628 C ASP A 107 -2.997 5.379 -2.443 1.00 54.41 C ATOM 1629 O ASP A 107 -3.279 4.758 -1.411 1.00 25.53 O ATOM 1630 CB ASP A 107 -1.918 7.640 -1.848 1.00 42.24 C ATOM 1631 CG ASP A 107 -0.643 7.513 -2.674 1.00 2.43 C ATOM 1632 OD1 ASP A 107 -0.694 7.762 -3.902 1.00 2.20 O ATOM 1633 OD2 ASP A 107 0.431 7.308 -2.077 1.00 43.45 O ATOM 0 H ASP A 107 -4.477 6.660 -0.915 1.00 53.15 H new ATOM 0 HA ASP A 107 -3.125 7.224 -3.512 1.00 73.43 H new ATOM 0 HB2 ASP A 107 -2.169 8.695 -1.737 1.00 42.24 H new ATOM 0 HB3 ASP A 107 -1.737 7.248 -0.847 1.00 42.24 H new ATOM 1638 N GLU A 108 -2.665 4.771 -3.578 1.00 31.34 N ATOM 1639 CA GLU A 108 -2.837 3.347 -3.832 1.00 65.54 C ATOM 1640 C GLU A 108 -1.509 2.768 -4.287 1.00 25.42 C ATOM 1641 O GLU A 108 -0.822 3.364 -5.124 1.00 11.00 O ATOM 1642 CB GLU A 108 -3.911 3.158 -4.915 1.00 30.41 C ATOM 1643 CG GLU A 108 -4.105 1.702 -5.375 1.00 3.31 C ATOM 1644 CD GLU A 108 -5.142 1.625 -6.491 1.00 42.31 C ATOM 1645 OE1 GLU A 108 -6.329 1.942 -6.232 1.00 5.40 O ATOM 1646 OE2 GLU A 108 -4.789 1.307 -7.648 1.00 22.14 O ATOM 0 H GLU A 108 -2.257 5.271 -4.368 1.00 31.34 H new ATOM 0 HA GLU A 108 -3.157 2.831 -2.927 1.00 65.54 H new ATOM 0 HB2 GLU A 108 -4.861 3.536 -4.537 1.00 30.41 H new ATOM 0 HB3 GLU A 108 -3.648 3.767 -5.780 1.00 30.41 H new ATOM 0 HG2 GLU A 108 -3.156 1.296 -5.725 1.00 3.31 H new ATOM 0 HG3 GLU A 108 -4.423 1.088 -4.532 1.00 3.31 H new ATOM 1653 N PHE A 109 -1.202 1.568 -3.800 1.00 3.14 N ATOM 1654 CA PHE A 109 0.003 0.840 -4.159 1.00 41.01 C ATOM 1655 C PHE A 109 -0.381 -0.509 -4.775 1.00 53.32 C ATOM 1656 O PHE A 109 -0.785 -1.435 -4.062 1.00 64.15 O ATOM 1657 CB PHE A 109 0.932 0.740 -2.939 1.00 21.12 C ATOM 1658 CG PHE A 109 1.187 2.063 -2.229 1.00 22.50 C ATOM 1659 CD1 PHE A 109 1.698 3.168 -2.939 1.00 14.41 C ATOM 1660 CD2 PHE A 109 0.824 2.222 -0.877 1.00 42.21 C ATOM 1661 CE1 PHE A 109 1.835 4.415 -2.301 1.00 2.44 C ATOM 1662 CE2 PHE A 109 0.979 3.460 -0.236 1.00 11.02 C ATOM 1663 CZ PHE A 109 1.493 4.557 -0.946 1.00 5.11 C ATOM 0 H PHE A 109 -1.795 1.071 -3.136 1.00 3.14 H new ATOM 0 HA PHE A 109 0.571 1.371 -4.922 1.00 41.01 H new ATOM 0 HB2 PHE A 109 0.501 0.037 -2.226 1.00 21.12 H new ATOM 0 HB3 PHE A 109 1.887 0.324 -3.259 1.00 21.12 H new ATOM 0 HD1 PHE A 109 1.985 3.058 -3.974 1.00 14.41 H new ATOM 0 HD2 PHE A 109 0.422 1.383 -0.329 1.00 42.21 H new ATOM 0 HE1 PHE A 109 2.204 5.265 -2.855 1.00 2.44 H new ATOM 0 HE2 PHE A 109 0.703 3.569 0.802 1.00 11.02 H new ATOM 0 HZ PHE A 109 1.625 5.508 -0.451 1.00 5.11 H new ATOM 1673 N LYS A 110 -0.291 -0.609 -6.111 1.00 1.21 N ATOM 1674 CA LYS A 110 -0.420 -1.854 -6.860 1.00 30.53 C ATOM 1675 C LYS A 110 0.829 -2.730 -6.883 1.00 53.03 C ATOM 1676 O LYS A 110 1.768 -2.430 -7.629 1.00 51.14 O ATOM 1677 CB LYS A 110 -0.940 -1.549 -8.279 1.00 63.23 C ATOM 1678 CG LYS A 110 -2.408 -1.956 -8.457 1.00 11.40 C ATOM 1679 CD LYS A 110 -2.522 -3.419 -8.870 1.00 64.35 C ATOM 1680 CE LYS A 110 -3.982 -3.760 -9.180 1.00 12.44 C ATOM 1681 NZ LYS A 110 -4.082 -4.950 -10.039 1.00 70.14 N ATOM 0 H LYS A 110 -0.122 0.200 -6.709 1.00 1.21 H new ATOM 0 HA LYS A 110 -1.147 -2.463 -6.322 1.00 30.53 H new ATOM 0 HB2 LYS A 110 -0.833 -0.484 -8.482 1.00 63.23 H new ATOM 0 HB3 LYS A 110 -0.327 -2.076 -9.010 1.00 63.23 H new ATOM 0 HG2 LYS A 110 -2.950 -1.794 -7.525 1.00 11.40 H new ATOM 0 HG3 LYS A 110 -2.876 -1.324 -9.212 1.00 11.40 H new ATOM 0 HD2 LYS A 110 -1.901 -3.608 -9.746 1.00 64.35 H new ATOM 0 HD3 LYS A 110 -2.151 -4.061 -8.071 1.00 64.35 H new ATOM 0 HE2 LYS A 110 -4.523 -3.934 -8.250 1.00 12.44 H new ATOM 0 HE3 LYS A 110 -4.459 -2.912 -9.672 1.00 12.44 H new ATOM 0 HZ1 LYS A 110 -5.083 -5.156 -10.232 1.00 70.14 H new ATOM 0 HZ2 LYS A 110 -3.586 -4.773 -10.936 1.00 70.14 H new ATOM 0 HZ3 LYS A 110 -3.648 -5.763 -9.558 1.00 70.14 H new ATOM 1695 N PHE A 111 0.905 -3.738 -6.016 1.00 43.43 N ATOM 1696 CA PHE A 111 2.081 -4.590 -5.887 1.00 63.33 C ATOM 1697 C PHE A 111 1.984 -5.739 -6.892 1.00 74.11 C ATOM 1698 O PHE A 111 0.886 -6.244 -7.126 1.00 72.55 O ATOM 1699 CB PHE A 111 2.160 -5.136 -4.455 1.00 51.35 C ATOM 1700 CG PHE A 111 2.661 -4.141 -3.425 1.00 32.51 C ATOM 1701 CD1 PHE A 111 4.046 -3.982 -3.245 1.00 42.02 C ATOM 1702 CD2 PHE A 111 1.771 -3.377 -2.645 1.00 41.03 C ATOM 1703 CE1 PHE A 111 4.552 -3.077 -2.299 1.00 70.42 C ATOM 1704 CE2 PHE A 111 2.278 -2.460 -1.709 1.00 10.40 C ATOM 1705 CZ PHE A 111 3.664 -2.306 -1.536 1.00 51.11 C ATOM 0 H PHE A 111 0.147 -3.986 -5.380 1.00 43.43 H new ATOM 0 HA PHE A 111 2.983 -4.014 -6.094 1.00 63.33 H new ATOM 0 HB2 PHE A 111 1.170 -5.480 -4.156 1.00 51.35 H new ATOM 0 HB3 PHE A 111 2.815 -6.007 -4.448 1.00 51.35 H new ATOM 0 HD1 PHE A 111 4.731 -4.565 -3.843 1.00 42.02 H new ATOM 0 HD2 PHE A 111 0.704 -3.496 -2.766 1.00 41.03 H new ATOM 0 HE1 PHE A 111 5.618 -2.975 -2.160 1.00 70.42 H new ATOM 0 HE2 PHE A 111 1.596 -1.868 -1.117 1.00 10.40 H new ATOM 0 HZ PHE A 111 4.044 -1.595 -0.817 1.00 51.11 H new ATOM 1715 N VAL A 112 3.110 -6.201 -7.441 1.00 24.33 N ATOM 1716 CA VAL A 112 3.146 -7.318 -8.389 1.00 31.10 C ATOM 1717 C VAL A 112 4.364 -8.186 -8.062 1.00 24.20 C ATOM 1718 O VAL A 112 5.485 -7.773 -8.354 1.00 2.33 O ATOM 1719 CB VAL A 112 3.171 -6.801 -9.850 1.00 74.24 C ATOM 1720 CG1 VAL A 112 2.882 -7.948 -10.831 1.00 24.53 C ATOM 1721 CG2 VAL A 112 2.208 -5.635 -10.134 1.00 25.21 C ATOM 0 H VAL A 112 4.029 -5.808 -7.239 1.00 24.33 H new ATOM 0 HA VAL A 112 2.245 -7.924 -8.295 1.00 31.10 H new ATOM 0 HB VAL A 112 4.178 -6.410 -9.995 1.00 74.24 H new ATOM 0 HG11 VAL A 112 2.903 -7.567 -11.852 1.00 24.53 H new ATOM 0 HG12 VAL A 112 3.639 -8.724 -10.717 1.00 24.53 H new ATOM 0 HG13 VAL A 112 1.898 -8.367 -10.621 1.00 24.53 H new ATOM 0 HG21 VAL A 112 2.293 -5.339 -11.180 1.00 25.21 H new ATOM 0 HG22 VAL A 112 1.185 -5.950 -9.928 1.00 25.21 H new ATOM 0 HG23 VAL A 112 2.463 -4.789 -9.496 1.00 25.21 H new ATOM 1731 N GLN A 113 4.175 -9.344 -7.418 1.00 53.14 N ATOM 1732 CA GLN A 113 5.251 -10.268 -7.071 1.00 53.05 C ATOM 1733 C GLN A 113 5.471 -11.301 -8.191 1.00 32.53 C ATOM 1734 O GLN A 113 4.553 -12.034 -8.567 1.00 12.01 O ATOM 1735 CB GLN A 113 4.969 -10.925 -5.703 1.00 71.53 C ATOM 1736 CG GLN A 113 6.075 -11.950 -5.393 1.00 22.10 C ATOM 1737 CD GLN A 113 6.225 -12.292 -3.916 1.00 45.25 C ATOM 1738 OE1 GLN A 113 5.285 -12.742 -3.280 1.00 45.43 O ATOM 1739 NE2 GLN A 113 7.406 -12.142 -3.349 1.00 54.25 N ATOM 0 H GLN A 113 3.254 -9.666 -7.121 1.00 53.14 H new ATOM 0 HA GLN A 113 6.183 -9.711 -6.976 1.00 53.05 H new ATOM 0 HB2 GLN A 113 4.932 -10.165 -4.922 1.00 71.53 H new ATOM 0 HB3 GLN A 113 3.996 -11.416 -5.716 1.00 71.53 H new ATOM 0 HG2 GLN A 113 5.868 -12.866 -5.946 1.00 22.10 H new ATOM 0 HG3 GLN A 113 7.025 -11.563 -5.761 1.00 22.10 H new ATOM 0 HE21 GLN A 113 8.186 -11.765 -3.887 1.00 54.25 H new ATOM 0 HE22 GLN A 113 7.539 -12.403 -2.372 1.00 54.25 H new ATOM 1748 N ASP A 114 6.708 -11.386 -8.694 1.00 4.31 N ATOM 1749 CA ASP A 114 7.141 -12.395 -9.674 1.00 62.12 C ATOM 1750 C ASP A 114 6.992 -13.832 -9.157 1.00 1.43 C ATOM 1751 O ASP A 114 6.905 -14.094 -7.953 1.00 63.55 O ATOM 1752 CB ASP A 114 8.614 -12.188 -10.097 1.00 51.11 C ATOM 1753 CG ASP A 114 8.812 -11.223 -11.264 1.00 25.34 C ATOM 1754 OD1 ASP A 114 7.904 -11.076 -12.112 1.00 30.52 O ATOM 1755 OD2 ASP A 114 9.892 -10.595 -11.344 1.00 10.45 O ATOM 0 H ASP A 114 7.453 -10.743 -8.427 1.00 4.31 H new ATOM 0 HA ASP A 114 6.482 -12.257 -10.531 1.00 62.12 H new ATOM 0 HB2 ASP A 114 9.176 -11.819 -9.239 1.00 51.11 H new ATOM 0 HB3 ASP A 114 9.040 -13.155 -10.366 1.00 51.11 H new ATOM 1760 N ALA A 115 7.007 -14.778 -10.099 1.00 25.21 N ATOM 1761 CA ALA A 115 7.138 -16.206 -9.850 1.00 33.12 C ATOM 1762 C ALA A 115 8.559 -16.567 -9.446 1.00 44.11 C ATOM 1763 O ALA A 115 9.509 -15.944 -9.925 1.00 50.34 O ATOM 1764 CB ALA A 115 6.863 -16.943 -11.157 1.00 44.15 C ATOM 0 H ALA A 115 6.925 -14.557 -11.091 1.00 25.21 H new ATOM 0 HA ALA A 115 6.445 -16.478 -9.054 1.00 33.12 H new ATOM 0 HB1 ALA A 115 6.955 -18.017 -10.995 1.00 44.15 H new ATOM 0 HB2 ALA A 115 5.854 -16.713 -11.499 1.00 44.15 H new ATOM 0 HB3 ALA A 115 7.583 -16.626 -11.912 1.00 44.15 H new ATOM 1770 N ALA A 116 8.700 -17.654 -8.691 1.00 54.42 N ATOM 1771 CA ALA A 116 9.972 -18.330 -8.504 1.00 30.45 C ATOM 1772 C ALA A 116 10.407 -18.986 -9.809 1.00 43.30 C ATOM 1773 O ALA A 116 9.569 -19.533 -10.533 1.00 51.44 O ATOM 1774 CB ALA A 116 9.807 -19.404 -7.428 1.00 72.13 C ATOM 0 H ALA A 116 7.926 -18.090 -8.190 1.00 54.42 H new ATOM 0 HA ALA A 116 10.728 -17.607 -8.199 1.00 30.45 H new ATOM 0 HB1 ALA A 116 10.756 -19.919 -7.279 1.00 72.13 H new ATOM 0 HB2 ALA A 116 9.496 -18.938 -6.493 1.00 72.13 H new ATOM 0 HB3 ALA A 116 9.051 -20.122 -7.744 1.00 72.13 H new ATOM 1780 N LYS A 117 11.717 -19.002 -10.068 1.00 2.43 N ATOM 1781 CA LYS A 117 12.312 -19.724 -11.186 1.00 33.34 C ATOM 1782 C LYS A 117 13.158 -20.874 -10.650 1.00 30.14 C ATOM 1783 O LYS A 117 14.381 -20.754 -10.544 1.00 34.23 O ATOM 1784 CB LYS A 117 13.084 -18.766 -12.101 1.00 31.35 C ATOM 1785 CG LYS A 117 13.210 -19.443 -13.468 1.00 13.24 C ATOM 1786 CD LYS A 117 14.091 -18.651 -14.434 1.00 61.50 C ATOM 1787 CE LYS A 117 13.631 -18.906 -15.870 1.00 51.01 C ATOM 1788 NZ LYS A 117 12.362 -18.211 -16.171 1.00 5.11 N ATOM 0 H LYS A 117 12.400 -18.505 -9.496 1.00 2.43 H new ATOM 0 HA LYS A 117 11.534 -20.162 -11.811 1.00 33.34 H new ATOM 0 HB2 LYS A 117 12.560 -17.814 -12.191 1.00 31.35 H new ATOM 0 HB3 LYS A 117 14.069 -18.550 -11.687 1.00 31.35 H new ATOM 0 HG2 LYS A 117 13.626 -20.442 -13.338 1.00 13.24 H new ATOM 0 HG3 LYS A 117 12.218 -19.565 -13.903 1.00 13.24 H new ATOM 0 HD2 LYS A 117 14.033 -17.587 -14.206 1.00 61.50 H new ATOM 0 HD3 LYS A 117 15.134 -18.946 -14.317 1.00 61.50 H new ATOM 0 HE2 LYS A 117 14.402 -18.571 -16.564 1.00 51.01 H new ATOM 0 HE3 LYS A 117 13.505 -19.977 -16.027 1.00 51.01 H new ATOM 0 HZ1 LYS A 117 12.261 -18.102 -17.200 1.00 5.11 H new ATOM 0 HZ2 LYS A 117 11.565 -18.768 -15.802 1.00 5.11 H new ATOM 0 HZ3 LYS A 117 12.365 -17.273 -15.722 1.00 5.11 H new ATOM 1802 N GLN A 118 12.507 -21.948 -10.212 1.00 32.24 N ATOM 1803 CA GLN A 118 13.139 -23.033 -9.474 1.00 44.01 C ATOM 1804 C GLN A 118 12.570 -24.329 -10.032 1.00 45.24 C ATOM 1805 O GLN A 118 11.810 -25.032 -9.331 1.00 12.34 O ATOM 1806 CB GLN A 118 12.930 -22.817 -7.957 1.00 42.34 C ATOM 1807 CG GLN A 118 13.558 -21.499 -7.454 1.00 34.11 C ATOM 1808 CD GLN A 118 13.329 -21.234 -5.967 1.00 21.54 C ATOM 1809 OE1 GLN A 118 12.203 -21.297 -5.466 1.00 4.34 O ATOM 1810 NE2 GLN A 118 14.368 -20.851 -5.249 1.00 25.23 N ATOM 0 H GLN A 118 11.508 -22.089 -10.364 1.00 32.24 H new ATOM 0 HA GLN A 118 14.221 -23.071 -9.597 1.00 44.01 H new ATOM 0 HB2 GLN A 118 11.862 -22.814 -7.738 1.00 42.34 H new ATOM 0 HB3 GLN A 118 13.365 -23.654 -7.411 1.00 42.34 H new ATOM 0 HG2 GLN A 118 14.630 -21.521 -7.648 1.00 34.11 H new ATOM 0 HG3 GLN A 118 13.147 -20.669 -8.029 1.00 34.11 H new ATOM 0 HE21 GLN A 118 15.293 -20.803 -5.676 1.00 25.23 H new ATOM 0 HE22 GLN A 118 14.246 -20.603 -4.267 1.00 25.23 H new