USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 755 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 29 TYR OH : rot 70:sc= 0.276 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 97 THR OG1 : rot -122:sc= 1.06 USER MOD Set 2.1: A 67 SER OG : rot 30:sc= 0.213 USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -127:sc= 0.351 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN :FLIP amide:sc= 0.876 F(o=-0.42,f=0.88) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.466 K(o=0.47,f=-6.2!) USER MOD Single : A 38 SER OG : rot 87:sc= 0.167 USER MOD Single : A 47 ASN : amide:sc= -0.0217 K(o=-0.022,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.238 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 160:sc= -0.125 USER MOD Single : A 59 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.006) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc=-0.00182 K(o=-0.0018,f=-1.1) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0.119 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.34 K(o=-1.3,f=-5.3!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -1.71! C(o=-1.7!,f=-7.1!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N LEU A 13 -6.868 -4.295 2.463 1.00 22.15 N ATOM 139 CA LEU A 13 -5.919 -4.352 3.568 1.00 52.13 C ATOM 140 C LEU A 13 -5.487 -5.789 3.843 1.00 1.51 C ATOM 141 O LEU A 13 -4.302 -6.067 4.023 1.00 62.33 O ATOM 142 CB LEU A 13 -6.537 -3.744 4.829 1.00 14.34 C ATOM 143 CG LEU A 13 -5.555 -3.322 5.922 1.00 13.31 C ATOM 144 CD1 LEU A 13 -4.553 -2.314 5.379 1.00 70.41 C ATOM 145 CD2 LEU A 13 -6.301 -2.744 7.116 1.00 74.21 C ATOM 0 HA LEU A 13 -5.038 -3.775 3.287 1.00 52.13 H new ATOM 0 HB2 LEU A 13 -7.122 -2.872 4.538 1.00 14.34 H new ATOM 0 HB3 LEU A 13 -7.233 -4.468 5.253 1.00 14.34 H new ATOM 0 HG LEU A 13 -5.009 -4.205 6.253 1.00 13.31 H new ATOM 0 HD11 LEU A 13 -3.862 -2.025 6.171 1.00 70.41 H new ATOM 0 HD12 LEU A 13 -3.995 -2.762 4.557 1.00 70.41 H new ATOM 0 HD13 LEU A 13 -5.083 -1.432 5.020 1.00 70.41 H new ATOM 0 HD21 LEU A 13 -5.586 -2.449 7.884 1.00 74.21 H new ATOM 0 HD22 LEU A 13 -6.874 -1.872 6.800 1.00 74.21 H new ATOM 0 HD23 LEU A 13 -6.978 -3.496 7.521 1.00 74.21 H new ATOM 157 N ASP A 14 -6.456 -6.697 3.871 1.00 3.44 N ATOM 158 CA ASP A 14 -6.177 -8.106 4.118 1.00 60.35 C ATOM 159 C ASP A 14 -5.289 -8.686 3.022 1.00 54.14 C ATOM 160 O ASP A 14 -4.332 -9.410 3.301 1.00 1.43 O ATOM 161 CB ASP A 14 -7.482 -8.900 4.207 1.00 14.42 C ATOM 162 CG ASP A 14 -7.250 -10.362 4.532 1.00 71.23 C ATOM 163 OD1 ASP A 14 -6.581 -10.645 5.548 1.00 61.14 O ATOM 164 OD2 ASP A 14 -7.737 -11.223 3.770 1.00 54.14 O ATOM 0 H ASP A 14 -7.442 -6.482 3.726 1.00 3.44 H new ATOM 0 HA ASP A 14 -5.648 -8.183 5.068 1.00 60.35 H new ATOM 0 HB2 ASP A 14 -8.121 -8.458 4.971 1.00 14.42 H new ATOM 0 HB3 ASP A 14 -8.017 -8.822 3.260 1.00 14.42 H new ATOM 169 N LYS A 15 -5.611 -8.362 1.774 1.00 72.45 N ATOM 170 CA LYS A 15 -4.843 -8.850 0.635 1.00 15.13 C ATOM 171 C LYS A 15 -3.437 -8.257 0.632 1.00 41.11 C ATOM 172 O LYS A 15 -2.479 -8.908 0.215 1.00 22.14 O ATOM 173 CB LYS A 15 -5.557 -8.503 -0.673 1.00 32.34 C ATOM 174 CG LYS A 15 -6.113 -9.714 -1.403 1.00 11.10 C ATOM 175 CD LYS A 15 -7.521 -10.046 -0.937 1.00 14.00 C ATOM 176 CE LYS A 15 -8.568 -9.516 -1.905 1.00 55.23 C ATOM 177 NZ LYS A 15 -9.886 -9.315 -1.241 1.00 60.05 N ATOM 0 H LYS A 15 -6.399 -7.763 1.526 1.00 72.45 H new ATOM 0 HA LYS A 15 -4.761 -9.933 0.721 1.00 15.13 H new ATOM 0 HB2 LYS A 15 -6.372 -7.812 -0.460 1.00 32.34 H new ATOM 0 HB3 LYS A 15 -4.861 -7.981 -1.330 1.00 32.34 H new ATOM 0 HG2 LYS A 15 -6.119 -9.522 -2.476 1.00 11.10 H new ATOM 0 HG3 LYS A 15 -5.461 -10.572 -1.236 1.00 11.10 H new ATOM 0 HD2 LYS A 15 -7.628 -11.126 -0.840 1.00 14.00 H new ATOM 0 HD3 LYS A 15 -7.688 -9.619 0.052 1.00 14.00 H new ATOM 0 HE2 LYS A 15 -8.226 -8.571 -2.328 1.00 55.23 H new ATOM 0 HE3 LYS A 15 -8.682 -10.214 -2.735 1.00 55.23 H new ATOM 0 HZ1 LYS A 15 -10.572 -8.953 -1.934 1.00 60.05 H new ATOM 0 HZ2 LYS A 15 -10.224 -10.221 -0.859 1.00 60.05 H new ATOM 0 HZ3 LYS A 15 -9.783 -8.630 -0.465 1.00 60.05 H new ATOM 191 N TRP A 16 -3.322 -7.020 1.102 1.00 74.40 N ATOM 192 CA TRP A 16 -2.032 -6.341 1.154 1.00 73.03 C ATOM 193 C TRP A 16 -1.040 -7.121 2.010 1.00 31.14 C ATOM 194 O TRP A 16 0.095 -7.359 1.597 1.00 11.03 O ATOM 195 CB TRP A 16 -2.201 -4.926 1.711 1.00 14.24 C ATOM 196 CG TRP A 16 -0.901 -4.268 2.065 1.00 15.24 C ATOM 197 CD1 TRP A 16 -0.377 -4.109 3.316 1.00 33.25 C ATOM 198 CD2 TRP A 16 0.037 -3.680 1.157 1.00 13.50 C ATOM 199 NE1 TRP A 16 0.830 -3.457 3.241 1.00 32.54 N ATOM 200 CE2 TRP A 16 1.107 -3.184 1.927 1.00 44.12 C ATOM 201 CE3 TRP A 16 0.078 -3.525 -0.231 1.00 22.41 C ATOM 202 CZ2 TRP A 16 2.203 -2.544 1.353 1.00 64.23 C ATOM 203 CZ3 TRP A 16 1.166 -2.891 -0.799 1.00 54.41 C ATOM 204 CH2 TRP A 16 2.217 -2.407 -0.008 1.00 22.34 C ATOM 0 H TRP A 16 -4.105 -6.467 1.452 1.00 74.40 H new ATOM 0 HA TRP A 16 -1.639 -6.281 0.139 1.00 73.03 H new ATOM 0 HB2 TRP A 16 -2.722 -4.313 0.975 1.00 14.24 H new ATOM 0 HB3 TRP A 16 -2.834 -4.965 2.598 1.00 14.24 H new ATOM 0 HD1 TRP A 16 -0.843 -4.446 4.230 1.00 33.25 H new ATOM 0 HE1 TRP A 16 1.424 -3.215 4.035 1.00 32.54 H new ATOM 0 HE3 TRP A 16 -0.727 -3.894 -0.849 1.00 22.41 H new ATOM 0 HZ2 TRP A 16 3.013 -2.169 1.961 1.00 64.23 H new ATOM 0 HZ3 TRP A 16 1.207 -2.766 -1.871 1.00 54.41 H new ATOM 0 HH2 TRP A 16 3.054 -1.916 -0.482 1.00 22.34 H new ATOM 215 N GLU A 17 -1.476 -7.518 3.202 1.00 15.24 N ATOM 216 CA GLU A 17 -0.624 -8.272 4.114 1.00 34.03 C ATOM 217 C GLU A 17 -0.494 -9.725 3.663 1.00 5.32 C ATOM 218 O GLU A 17 0.356 -10.466 4.154 1.00 32.22 O ATOM 219 CB GLU A 17 -1.185 -8.216 5.536 1.00 4.13 C ATOM 220 CG GLU A 17 -1.060 -6.847 6.185 1.00 61.43 C ATOM 221 CD GLU A 17 -1.072 -6.918 7.700 1.00 31.24 C ATOM 222 OE1 GLU A 17 -1.149 -8.041 8.242 1.00 41.40 O ATOM 223 OE2 GLU A 17 -1.003 -5.849 8.344 1.00 33.45 O ATOM 0 H GLU A 17 -2.413 -7.330 3.558 1.00 15.24 H new ATOM 0 HA GLU A 17 0.366 -7.817 4.104 1.00 34.03 H new ATOM 0 HB2 GLU A 17 -2.236 -8.504 5.515 1.00 4.13 H new ATOM 0 HB3 GLU A 17 -0.665 -8.950 6.152 1.00 4.13 H new ATOM 0 HG2 GLU A 17 -0.135 -6.375 5.854 1.00 61.43 H new ATOM 0 HG3 GLU A 17 -1.880 -6.213 5.848 1.00 61.43 H new ATOM 230 N LYS A 18 -1.347 -10.124 2.725 1.00 21.32 N ATOM 231 CA LYS A 18 -1.330 -11.487 2.207 1.00 5.34 C ATOM 232 C LYS A 18 -0.018 -11.780 1.489 1.00 13.43 C ATOM 233 O LYS A 18 0.811 -12.547 1.980 1.00 22.11 O ATOM 234 CB LYS A 18 -2.506 -11.705 1.251 1.00 31.11 C ATOM 235 CG LYS A 18 -2.775 -13.168 0.941 1.00 4.30 C ATOM 236 CD LYS A 18 -4.203 -13.384 0.471 1.00 2.55 C ATOM 237 CE LYS A 18 -4.634 -14.833 0.643 1.00 42.13 C ATOM 238 NZ LYS A 18 -4.248 -15.669 -0.528 1.00 51.05 N ATOM 0 H LYS A 18 -2.058 -9.523 2.308 1.00 21.32 H new ATOM 0 HA LYS A 18 -1.423 -12.171 3.051 1.00 5.34 H new ATOM 0 HB2 LYS A 18 -3.403 -11.263 1.685 1.00 31.11 H new ATOM 0 HB3 LYS A 18 -2.309 -11.175 0.319 1.00 31.11 H new ATOM 0 HG2 LYS A 18 -2.082 -13.512 0.173 1.00 4.30 H new ATOM 0 HG3 LYS A 18 -2.589 -13.770 1.831 1.00 4.30 H new ATOM 0 HD2 LYS A 18 -4.874 -12.735 1.033 1.00 2.55 H new ATOM 0 HD3 LYS A 18 -4.289 -13.100 -0.578 1.00 2.55 H new ATOM 0 HE2 LYS A 18 -4.181 -15.242 1.546 1.00 42.13 H new ATOM 0 HE3 LYS A 18 -5.714 -14.877 0.780 1.00 42.13 H new ATOM 0 HZ1 LYS A 18 -5.084 -16.173 -0.885 1.00 51.05 H new ATOM 0 HZ2 LYS A 18 -3.864 -15.060 -1.278 1.00 51.05 H new ATOM 0 HZ3 LYS A 18 -3.525 -16.359 -0.239 1.00 51.05 H new ATOM 252 N ILE A 19 0.167 -11.163 0.326 1.00 51.22 N ATOM 253 CA ILE A 19 1.381 -11.356 -0.457 1.00 74.21 C ATOM 254 C ILE A 19 2.618 -11.346 0.435 1.00 70.14 C ATOM 255 O ILE A 19 2.668 -10.631 1.436 1.00 41.13 O ATOM 256 CB ILE A 19 1.533 -10.270 -1.538 1.00 52.32 C ATOM 257 CG1 ILE A 19 0.337 -10.299 -2.492 1.00 23.54 C ATOM 258 CG2 ILE A 19 2.833 -10.463 -2.303 1.00 1.15 C ATOM 259 CD1 ILE A 19 -0.153 -8.924 -2.889 1.00 65.40 C ATOM 0 H ILE A 19 -0.509 -10.525 -0.094 1.00 51.22 H new ATOM 0 HA ILE A 19 1.292 -12.329 -0.941 1.00 74.21 H new ATOM 0 HB ILE A 19 1.562 -9.295 -1.052 1.00 52.32 H new ATOM 0 HG12 ILE A 19 0.613 -10.851 -3.391 1.00 23.54 H new ATOM 0 HG13 ILE A 19 -0.480 -10.845 -2.021 1.00 23.54 H new ATOM 0 HG21 ILE A 19 2.926 -9.688 -3.064 1.00 1.15 H new ATOM 0 HG22 ILE A 19 3.674 -10.397 -1.613 1.00 1.15 H new ATOM 0 HG23 ILE A 19 2.832 -11.442 -2.781 1.00 1.15 H new ATOM 0 HD11 ILE A 19 -1.002 -9.022 -3.566 1.00 65.40 H new ATOM 0 HD12 ILE A 19 -0.460 -8.376 -1.998 1.00 65.40 H new ATOM 0 HD13 ILE A 19 0.650 -8.382 -3.389 1.00 65.40 H new ATOM 271 N ARG A 20 3.615 -12.143 0.065 1.00 13.45 N ATOM 272 CA ARG A 20 4.853 -12.225 0.831 1.00 31.35 C ATOM 273 C ARG A 20 5.800 -11.087 0.458 1.00 5.12 C ATOM 274 O ARG A 20 5.433 -10.181 -0.293 1.00 73.44 O ATOM 275 CB ARG A 20 5.537 -13.572 0.591 1.00 20.01 C ATOM 276 CG ARG A 20 4.660 -14.768 0.921 1.00 12.14 C ATOM 277 CD ARG A 20 5.434 -16.073 0.816 1.00 1.32 C ATOM 278 NE ARG A 20 4.549 -17.226 0.679 1.00 2.30 N ATOM 279 CZ ARG A 20 3.879 -17.762 1.693 1.00 3.13 C ATOM 280 NH1 ARG A 20 3.992 -17.251 2.911 1.00 75.32 N ATOM 281 NH2 ARG A 20 3.091 -18.810 1.489 1.00 54.03 N ATOM 0 H ARG A 20 3.590 -12.741 -0.761 1.00 13.45 H new ATOM 0 HA ARG A 20 4.604 -12.135 1.888 1.00 31.35 H new ATOM 0 HB2 ARG A 20 5.843 -13.634 -0.453 1.00 20.01 H new ATOM 0 HB3 ARG A 20 6.445 -13.621 1.192 1.00 20.01 H new ATOM 0 HG2 ARG A 20 4.261 -14.661 1.930 1.00 12.14 H new ATOM 0 HG3 ARG A 20 3.808 -14.794 0.242 1.00 12.14 H new ATOM 0 HD2 ARG A 20 6.106 -16.028 -0.041 1.00 1.32 H new ATOM 0 HD3 ARG A 20 6.056 -16.197 1.702 1.00 1.32 H new ATOM 0 HE ARG A 20 4.439 -17.643 -0.246 1.00 2.30 H new ATOM 0 HH11 ARG A 20 4.595 -16.444 3.072 1.00 75.32 H new ATOM 0 HH12 ARG A 20 3.476 -17.665 3.688 1.00 75.32 H new ATOM 0 HH21 ARG A 20 2.999 -19.205 0.553 1.00 54.03 H new ATOM 0 HH22 ARG A 20 2.577 -19.221 2.268 1.00 54.03 H new ATOM 295 N LEU A 21 7.016 -11.140 0.988 1.00 63.32 N ATOM 296 CA LEU A 21 8.016 -10.114 0.712 1.00 60.40 C ATOM 297 C LEU A 21 9.106 -10.650 -0.210 1.00 73.10 C ATOM 298 O LEU A 21 9.430 -10.037 -1.227 1.00 13.50 O ATOM 299 CB LEU A 21 8.637 -9.615 2.018 1.00 10.02 C ATOM 300 CG LEU A 21 7.660 -9.068 3.059 1.00 64.42 C ATOM 301 CD1 LEU A 21 8.386 -8.749 4.357 1.00 32.44 C ATOM 302 CD2 LEU A 21 6.947 -7.834 2.527 1.00 54.32 C ATOM 0 H LEU A 21 7.334 -11.882 1.611 1.00 63.32 H new ATOM 0 HA LEU A 21 7.519 -9.283 0.212 1.00 60.40 H new ATOM 0 HB2 LEU A 21 9.195 -10.436 2.469 1.00 10.02 H new ATOM 0 HB3 LEU A 21 9.358 -8.833 1.779 1.00 10.02 H new ATOM 0 HG LEU A 21 6.912 -9.834 3.264 1.00 64.42 H new ATOM 0 HD11 LEU A 21 7.675 -8.361 5.086 1.00 32.44 H new ATOM 0 HD12 LEU A 21 8.848 -9.656 4.748 1.00 32.44 H new ATOM 0 HD13 LEU A 21 9.157 -8.002 4.169 1.00 32.44 H new ATOM 0 HD21 LEU A 21 6.256 -7.459 3.282 1.00 54.32 H new ATOM 0 HD22 LEU A 21 7.681 -7.063 2.292 1.00 54.32 H new ATOM 0 HD23 LEU A 21 6.393 -8.094 1.625 1.00 54.32 H new ATOM 314 N ARG A 22 9.667 -11.800 0.151 1.00 32.32 N ATOM 315 CA ARG A 22 10.720 -12.420 -0.645 1.00 40.24 C ATOM 316 C ARG A 22 10.171 -13.589 -1.456 1.00 23.44 C ATOM 317 O ARG A 22 9.050 -14.053 -1.245 1.00 52.35 O ATOM 318 CB ARG A 22 11.856 -12.901 0.259 1.00 50.42 C ATOM 319 CG ARG A 22 13.073 -11.992 0.245 1.00 14.33 C ATOM 320 CD ARG A 22 14.355 -12.772 0.491 1.00 44.24 C ATOM 321 NE ARG A 22 15.292 -12.650 -0.622 1.00 74.54 N ATOM 322 CZ ARG A 22 15.938 -11.528 -0.919 1.00 75.51 C ATOM 323 NH1 ARG A 22 15.750 -10.438 -0.190 1.00 14.42 N ATOM 324 NH2 ARG A 22 16.776 -11.497 -1.948 1.00 74.45 N ATOM 0 H ARG A 22 9.410 -12.321 0.989 1.00 32.32 H new ATOM 0 HA ARG A 22 11.107 -11.671 -1.336 1.00 40.24 H new ATOM 0 HB2 ARG A 22 11.486 -12.982 1.281 1.00 50.42 H new ATOM 0 HB3 ARG A 22 12.157 -13.902 -0.052 1.00 50.42 H new ATOM 0 HG2 ARG A 22 13.136 -11.481 -0.716 1.00 14.33 H new ATOM 0 HG3 ARG A 22 12.962 -11.222 1.009 1.00 14.33 H new ATOM 0 HD2 ARG A 22 14.828 -12.412 1.405 1.00 44.24 H new ATOM 0 HD3 ARG A 22 14.115 -13.823 0.649 1.00 44.24 H new ATOM 0 HE ARG A 22 15.460 -13.471 -1.203 1.00 74.54 H new ATOM 0 HH11 ARG A 22 15.108 -10.459 0.602 1.00 14.42 H new ATOM 0 HH12 ARG A 22 16.248 -9.578 -0.421 1.00 14.42 H new ATOM 0 HH21 ARG A 22 16.924 -12.335 -2.511 1.00 74.45 H new ATOM 0 HH22 ARG A 22 17.272 -10.635 -2.176 1.00 74.45 H new ATOM 338 N PRO A 23 10.978 -14.080 -2.409 1.00 50.10 N ATOM 339 CA PRO A 23 10.595 -15.202 -3.271 1.00 13.24 C ATOM 340 C PRO A 23 10.529 -16.521 -2.510 1.00 33.54 C ATOM 341 O PRO A 23 9.490 -17.179 -2.477 1.00 42.02 O ATOM 342 CB PRO A 23 11.712 -15.243 -4.317 1.00 12.44 C ATOM 343 CG PRO A 23 12.886 -14.623 -3.642 1.00 62.21 C ATOM 344 CD PRO A 23 12.328 -13.577 -2.717 1.00 41.21 C ATOM 0 HA PRO A 23 9.600 -15.069 -3.695 1.00 13.24 H new ATOM 0 HB2 PRO A 23 11.928 -16.266 -4.626 1.00 12.44 H new ATOM 0 HB3 PRO A 23 11.434 -14.691 -5.215 1.00 12.44 H new ATOM 0 HG2 PRO A 23 13.457 -15.369 -3.089 1.00 62.21 H new ATOM 0 HG3 PRO A 23 13.565 -14.178 -4.370 1.00 62.21 H new ATOM 0 HD2 PRO A 23 12.933 -13.473 -1.816 1.00 41.21 H new ATOM 0 HD3 PRO A 23 12.293 -12.597 -3.193 1.00 41.21 H new ATOM 352 N GLY A 24 11.646 -16.904 -1.900 1.00 73.11 N ATOM 353 CA GLY A 24 11.694 -18.144 -1.148 1.00 65.02 C ATOM 354 C GLY A 24 11.727 -17.912 0.351 1.00 33.45 C ATOM 355 O GLY A 24 12.615 -18.409 1.043 1.00 63.10 O ATOM 0 H GLY A 24 12.519 -16.377 -1.913 1.00 73.11 H new ATOM 0 HA2 GLY A 24 10.825 -18.752 -1.400 1.00 65.02 H new ATOM 0 HA3 GLY A 24 12.576 -18.711 -1.444 1.00 65.02 H new ATOM 359 N GLY A 25 10.757 -17.154 0.852 1.00 1.22 N ATOM 360 CA GLY A 25 10.698 -16.870 2.274 1.00 41.22 C ATOM 361 C GLY A 25 9.313 -17.082 2.851 1.00 61.24 C ATOM 362 O GLY A 25 8.473 -17.743 2.241 1.00 24.22 O ATOM 0 H GLY A 25 10.011 -16.732 0.299 1.00 1.22 H new ATOM 0 HA2 GLY A 25 11.408 -17.509 2.799 1.00 41.22 H new ATOM 0 HA3 GLY A 25 11.007 -15.839 2.449 1.00 41.22 H new ATOM 366 N LYS A 26 9.073 -16.522 4.031 1.00 53.42 N ATOM 367 CA LYS A 26 7.780 -16.652 4.693 1.00 32.45 C ATOM 368 C LYS A 26 7.316 -15.311 5.251 1.00 53.10 C ATOM 369 O LYS A 26 6.380 -15.248 6.048 1.00 71.42 O ATOM 370 CB LYS A 26 7.863 -17.684 5.820 1.00 3.11 C ATOM 371 CG LYS A 26 6.808 -18.772 5.728 1.00 24.13 C ATOM 372 CD LYS A 26 5.893 -18.765 6.941 1.00 64.11 C ATOM 373 CE LYS A 26 4.640 -19.594 6.699 1.00 53.03 C ATOM 374 NZ LYS A 26 3.842 -19.770 7.944 1.00 75.40 N ATOM 0 H LYS A 26 9.758 -15.973 4.550 1.00 53.42 H new ATOM 0 HA LYS A 26 7.054 -16.988 3.953 1.00 32.45 H new ATOM 0 HB2 LYS A 26 8.850 -18.145 5.807 1.00 3.11 H new ATOM 0 HB3 LYS A 26 7.763 -17.173 6.777 1.00 3.11 H new ATOM 0 HG2 LYS A 26 6.216 -18.631 4.824 1.00 24.13 H new ATOM 0 HG3 LYS A 26 7.293 -19.744 5.643 1.00 24.13 H new ATOM 0 HD2 LYS A 26 6.429 -19.158 7.805 1.00 64.11 H new ATOM 0 HD3 LYS A 26 5.612 -17.739 7.180 1.00 64.11 H new ATOM 0 HE2 LYS A 26 4.026 -19.110 5.939 1.00 53.03 H new ATOM 0 HE3 LYS A 26 4.921 -20.571 6.307 1.00 53.03 H new ATOM 0 HZ1 LYS A 26 2.997 -20.340 7.737 1.00 75.40 H new ATOM 0 HZ2 LYS A 26 4.419 -20.254 8.661 1.00 75.40 H new ATOM 0 HZ3 LYS A 26 3.552 -18.839 8.305 1.00 75.40 H new ATOM 388 N LYS A 27 7.975 -14.239 4.825 1.00 41.24 N ATOM 389 CA LYS A 27 7.629 -12.897 5.280 1.00 2.32 C ATOM 390 C LYS A 27 6.487 -12.319 4.449 1.00 72.53 C ATOM 391 O LYS A 27 6.396 -12.565 3.246 1.00 75.04 O ATOM 392 CB LYS A 27 8.849 -11.977 5.197 1.00 74.55 C ATOM 393 CG LYS A 27 9.050 -11.120 6.435 1.00 71.12 C ATOM 394 CD LYS A 27 9.496 -11.954 7.624 1.00 52.51 C ATOM 395 CE LYS A 27 8.620 -11.701 8.842 1.00 4.03 C ATOM 396 NZ LYS A 27 9.167 -10.618 9.704 1.00 20.21 N ATOM 0 H LYS A 27 8.752 -14.273 4.165 1.00 41.24 H new ATOM 0 HA LYS A 27 7.303 -12.965 6.318 1.00 2.32 H new ATOM 0 HB2 LYS A 27 9.740 -12.583 5.036 1.00 74.55 H new ATOM 0 HB3 LYS A 27 8.745 -11.327 4.328 1.00 74.55 H new ATOM 0 HG2 LYS A 27 9.794 -10.351 6.229 1.00 71.12 H new ATOM 0 HG3 LYS A 27 8.120 -10.606 6.678 1.00 71.12 H new ATOM 0 HD2 LYS A 27 9.460 -13.011 7.362 1.00 52.51 H new ATOM 0 HD3 LYS A 27 10.533 -11.720 7.865 1.00 52.51 H new ATOM 0 HE2 LYS A 27 7.615 -11.433 8.517 1.00 4.03 H new ATOM 0 HE3 LYS A 27 8.533 -12.619 9.424 1.00 4.03 H new ATOM 0 HZ1 LYS A 27 8.541 -10.477 10.523 1.00 20.21 H new ATOM 0 HZ2 LYS A 27 10.116 -10.884 10.036 1.00 20.21 H new ATOM 0 HZ3 LYS A 27 9.226 -9.735 9.157 1.00 20.21 H new ATOM 410 N GLN A 28 5.620 -11.549 5.098 1.00 64.14 N ATOM 411 CA GLN A 28 4.484 -10.937 4.418 1.00 54.42 C ATOM 412 C GLN A 28 4.565 -9.415 4.489 1.00 21.52 C ATOM 413 O GLN A 28 5.500 -8.859 5.065 1.00 3.42 O ATOM 414 CB GLN A 28 3.171 -11.419 5.038 1.00 14.23 C ATOM 415 CG GLN A 28 3.239 -12.837 5.580 1.00 14.33 C ATOM 416 CD GLN A 28 3.683 -12.887 7.029 1.00 2.13 C ATOM 417 OE1 GLN A 28 2.920 -12.243 7.904 1.00 41.21 O flip ATOM 418 NE2 GLN A 28 4.700 -13.498 7.358 1.00 13.51 N flip ATOM 0 H GLN A 28 5.682 -11.334 6.093 1.00 64.14 H new ATOM 0 HA GLN A 28 4.514 -11.237 3.371 1.00 54.42 H new ATOM 0 HB2 GLN A 28 2.891 -10.743 5.846 1.00 14.23 H new ATOM 0 HB3 GLN A 28 2.382 -11.363 4.288 1.00 14.23 H new ATOM 0 HG2 GLN A 28 2.259 -13.305 5.488 1.00 14.33 H new ATOM 0 HG3 GLN A 28 3.929 -13.422 4.972 1.00 14.33 H new ATOM 0 HE21 GLN A 28 5.257 -13.979 6.652 1.00 13.51 H new ATOM 0 HE22 GLN A 28 4.986 -13.523 8.337 1.00 13.51 H new ATOM 427 N TYR A 29 3.580 -8.748 3.898 1.00 3.05 N ATOM 428 CA TYR A 29 3.541 -7.291 3.891 1.00 2.44 C ATOM 429 C TYR A 29 2.771 -6.761 5.096 1.00 52.40 C ATOM 430 O TYR A 29 1.886 -7.431 5.627 1.00 62.02 O ATOM 431 CB TYR A 29 2.899 -6.784 2.598 1.00 41.24 C ATOM 432 CG TYR A 29 3.895 -6.499 1.498 1.00 12.43 C ATOM 433 CD1 TYR A 29 4.687 -5.357 1.529 1.00 43.13 C ATOM 434 CD2 TYR A 29 4.045 -7.369 0.426 1.00 34.35 C ATOM 435 CE1 TYR A 29 5.599 -5.092 0.526 1.00 4.43 C ATOM 436 CE2 TYR A 29 4.955 -7.113 -0.581 1.00 31.12 C ATOM 437 CZ TYR A 29 5.730 -5.973 -0.527 1.00 24.33 C ATOM 438 OH TYR A 29 6.636 -5.714 -1.529 1.00 54.54 O ATOM 0 H TYR A 29 2.798 -9.193 3.418 1.00 3.05 H new ATOM 0 HA TYR A 29 4.566 -6.925 3.948 1.00 2.44 H new ATOM 0 HB2 TYR A 29 2.182 -7.524 2.244 1.00 41.24 H new ATOM 0 HB3 TYR A 29 2.338 -5.874 2.813 1.00 41.24 H new ATOM 0 HD1 TYR A 29 4.587 -4.665 2.352 1.00 43.13 H new ATOM 0 HD2 TYR A 29 3.439 -8.262 0.379 1.00 34.35 H new ATOM 0 HE1 TYR A 29 6.206 -4.200 0.566 1.00 4.43 H new ATOM 0 HE2 TYR A 29 5.059 -7.802 -1.406 1.00 31.12 H new ATOM 0 HH TYR A 29 7.546 -5.819 -1.182 1.00 54.54 H new ATOM 448 N LYS A 30 3.116 -5.551 5.525 1.00 2.44 N ATOM 449 CA LYS A 30 2.458 -4.926 6.666 1.00 32.52 C ATOM 450 C LYS A 30 2.441 -3.408 6.521 1.00 11.42 C ATOM 451 O LYS A 30 3.066 -2.854 5.616 1.00 10.10 O ATOM 452 CB LYS A 30 3.167 -5.317 7.965 1.00 31.00 C ATOM 453 CG LYS A 30 2.230 -5.861 9.030 1.00 23.14 C ATOM 454 CD LYS A 30 2.619 -5.375 10.416 1.00 24.32 C ATOM 455 CE LYS A 30 3.595 -6.328 11.087 1.00 33.21 C ATOM 456 NZ LYS A 30 4.969 -5.758 11.154 1.00 32.51 N ATOM 0 H LYS A 30 3.849 -4.984 5.099 1.00 2.44 H new ATOM 0 HA LYS A 30 1.428 -5.281 6.699 1.00 32.52 H new ATOM 0 HB2 LYS A 30 3.926 -6.067 7.743 1.00 31.00 H new ATOM 0 HB3 LYS A 30 3.687 -4.445 8.362 1.00 31.00 H new ATOM 0 HG2 LYS A 30 1.208 -5.553 8.809 1.00 23.14 H new ATOM 0 HG3 LYS A 30 2.246 -6.951 9.008 1.00 23.14 H new ATOM 0 HD2 LYS A 30 3.068 -4.385 10.343 1.00 24.32 H new ATOM 0 HD3 LYS A 30 1.725 -5.275 11.032 1.00 24.32 H new ATOM 0 HE2 LYS A 30 3.246 -6.555 12.095 1.00 33.21 H new ATOM 0 HE3 LYS A 30 3.619 -7.269 10.538 1.00 33.21 H new ATOM 0 HZ1 LYS A 30 5.605 -6.438 11.618 1.00 32.51 H new ATOM 0 HZ2 LYS A 30 5.312 -5.565 10.191 1.00 32.51 H new ATOM 0 HZ3 LYS A 30 4.951 -4.873 11.699 1.00 32.51 H new ATOM 470 N LEU A 31 1.724 -2.741 7.417 1.00 51.53 N ATOM 471 CA LEU A 31 1.627 -1.285 7.391 1.00 12.04 C ATOM 472 C LEU A 31 2.999 -0.651 7.185 1.00 64.42 C ATOM 473 O LEU A 31 3.172 0.219 6.333 1.00 3.23 O ATOM 474 CB LEU A 31 1.004 -0.771 8.690 1.00 34.32 C ATOM 475 CG LEU A 31 -0.328 -1.404 9.092 1.00 40.03 C ATOM 476 CD1 LEU A 31 -0.789 -0.868 10.439 1.00 30.34 C ATOM 477 CD2 LEU A 31 -1.383 -1.148 8.025 1.00 63.23 C ATOM 0 H LEU A 31 1.200 -3.185 8.172 1.00 51.53 H new ATOM 0 HA LEU A 31 0.988 -1.004 6.554 1.00 12.04 H new ATOM 0 HB2 LEU A 31 1.717 -0.929 9.499 1.00 34.32 H new ATOM 0 HB3 LEU A 31 0.859 0.305 8.599 1.00 34.32 H new ATOM 0 HG LEU A 31 -0.184 -2.481 9.182 1.00 40.03 H new ATOM 0 HD11 LEU A 31 -1.739 -1.330 10.709 1.00 30.34 H new ATOM 0 HD12 LEU A 31 -0.043 -1.102 11.198 1.00 30.34 H new ATOM 0 HD13 LEU A 31 -0.916 0.213 10.376 1.00 30.34 H new ATOM 0 HD21 LEU A 31 -2.325 -1.606 8.327 1.00 63.23 H new ATOM 0 HD22 LEU A 31 -1.524 -0.074 7.903 1.00 63.23 H new ATOM 0 HD23 LEU A 31 -1.057 -1.581 7.079 1.00 63.23 H new ATOM 489 N LYS A 32 3.974 -1.097 7.970 1.00 65.11 N ATOM 490 CA LYS A 32 5.332 -0.577 7.873 1.00 51.32 C ATOM 491 C LYS A 32 5.679 -0.228 6.430 1.00 54.53 C ATOM 492 O LYS A 32 6.205 0.851 6.151 1.00 22.35 O ATOM 493 CB LYS A 32 6.332 -1.600 8.416 1.00 20.32 C ATOM 494 CG LYS A 32 7.448 -0.984 9.241 1.00 13.44 C ATOM 495 CD LYS A 32 8.436 -2.034 9.719 1.00 23.12 C ATOM 496 CE LYS A 32 9.041 -1.660 11.063 1.00 44.20 C ATOM 497 NZ LYS A 32 9.180 -2.842 11.958 1.00 33.31 N ATOM 0 H LYS A 32 3.848 -1.818 8.681 1.00 65.11 H new ATOM 0 HA LYS A 32 5.390 0.332 8.472 1.00 51.32 H new ATOM 0 HB2 LYS A 32 5.798 -2.327 9.028 1.00 20.32 H new ATOM 0 HB3 LYS A 32 6.769 -2.147 7.580 1.00 20.32 H new ATOM 0 HG2 LYS A 32 7.971 -0.236 8.645 1.00 13.44 H new ATOM 0 HG3 LYS A 32 7.022 -0.466 10.101 1.00 13.44 H new ATOM 0 HD2 LYS A 32 7.933 -2.998 9.801 1.00 23.12 H new ATOM 0 HD3 LYS A 32 9.230 -2.150 8.981 1.00 23.12 H new ATOM 0 HE2 LYS A 32 10.020 -1.206 10.907 1.00 44.20 H new ATOM 0 HE3 LYS A 32 8.415 -0.910 11.547 1.00 44.20 H new ATOM 0 HZ1 LYS A 32 9.596 -2.545 12.864 1.00 33.31 H new ATOM 0 HZ2 LYS A 32 8.243 -3.261 12.128 1.00 33.31 H new ATOM 0 HZ3 LYS A 32 9.798 -3.547 11.508 1.00 33.31 H new ATOM 511 N HIS A 33 5.383 -1.145 5.516 1.00 4.01 N ATOM 512 CA HIS A 33 5.660 -0.933 4.099 1.00 34.41 C ATOM 513 C HIS A 33 4.733 0.131 3.518 1.00 34.52 C ATOM 514 O HIS A 33 5.239 0.982 2.786 1.00 33.53 O ATOM 515 CB HIS A 33 5.504 -2.242 3.325 1.00 5.35 C ATOM 516 CG HIS A 33 6.238 -3.394 3.939 1.00 14.50 C ATOM 517 ND1 HIS A 33 5.601 -4.457 4.543 1.00 12.21 N ATOM 518 CD2 HIS A 33 7.564 -3.644 4.041 1.00 64.23 C ATOM 519 CE1 HIS A 33 6.504 -5.312 4.989 1.00 62.02 C ATOM 520 NE2 HIS A 33 7.703 -4.842 4.697 1.00 30.02 N ATOM 0 H HIS A 33 4.951 -2.044 5.731 1.00 4.01 H new ATOM 0 HA HIS A 33 6.688 -0.585 4.003 1.00 34.41 H new ATOM 0 HB2 HIS A 33 4.445 -2.491 3.259 1.00 5.35 H new ATOM 0 HB3 HIS A 33 5.862 -2.096 2.306 1.00 5.35 H new ATOM 0 HD2 HIS A 33 8.364 -3.018 3.675 1.00 64.23 H new ATOM 0 HE1 HIS A 33 6.297 -6.238 5.505 1.00 62.02 H new ATOM 0 HE2 HIS A 33 8.589 -5.295 4.922 1.00 30.02 H new ATOM 528 N ILE A 34 3.439 0.106 3.812 1.00 63.32 N ATOM 529 CA ILE A 34 2.516 1.101 3.280 1.00 24.00 C ATOM 530 C ILE A 34 2.996 2.515 3.587 1.00 70.23 C ATOM 531 O ILE A 34 2.787 3.438 2.799 1.00 62.12 O ATOM 532 CB ILE A 34 1.097 0.916 3.853 1.00 53.31 C ATOM 533 CG1 ILE A 34 0.622 -0.523 3.643 1.00 40.35 C ATOM 534 CG2 ILE A 34 0.133 1.898 3.205 1.00 42.03 C ATOM 535 CD1 ILE A 34 -0.774 -0.779 4.165 1.00 23.52 C ATOM 0 H ILE A 34 3.005 -0.592 4.416 1.00 63.32 H new ATOM 0 HA ILE A 34 2.484 0.957 2.200 1.00 24.00 H new ATOM 0 HB ILE A 34 1.124 1.116 4.924 1.00 53.31 H new ATOM 0 HG12 ILE A 34 0.652 -0.755 2.578 1.00 40.35 H new ATOM 0 HG13 ILE A 34 1.317 -1.202 4.137 1.00 40.35 H new ATOM 0 HG21 ILE A 34 -0.865 1.755 3.620 1.00 42.03 H new ATOM 0 HG22 ILE A 34 0.465 2.917 3.401 1.00 42.03 H new ATOM 0 HG23 ILE A 34 0.107 1.726 2.129 1.00 42.03 H new ATOM 0 HD11 ILE A 34 -1.046 -1.819 3.983 1.00 23.52 H new ATOM 0 HD12 ILE A 34 -0.804 -0.578 5.236 1.00 23.52 H new ATOM 0 HD13 ILE A 34 -1.480 -0.125 3.653 1.00 23.52 H new ATOM 547 N VAL A 35 3.642 2.678 4.738 1.00 1.33 N ATOM 548 CA VAL A 35 4.155 3.980 5.148 1.00 73.33 C ATOM 549 C VAL A 35 5.486 4.285 4.469 1.00 10.43 C ATOM 550 O VAL A 35 5.687 5.378 3.938 1.00 62.12 O ATOM 551 CB VAL A 35 4.343 4.053 6.675 1.00 53.23 C ATOM 552 CG1 VAL A 35 4.967 5.382 7.074 1.00 32.44 C ATOM 553 CG2 VAL A 35 3.014 3.844 7.385 1.00 11.43 C ATOM 0 H VAL A 35 3.822 1.925 5.402 1.00 1.33 H new ATOM 0 HA VAL A 35 3.416 4.721 4.844 1.00 73.33 H new ATOM 0 HB VAL A 35 5.021 3.256 6.979 1.00 53.23 H new ATOM 0 HG11 VAL A 35 5.092 5.415 8.156 1.00 32.44 H new ATOM 0 HG12 VAL A 35 5.940 5.486 6.593 1.00 32.44 H new ATOM 0 HG13 VAL A 35 4.317 6.198 6.759 1.00 32.44 H new ATOM 0 HG21 VAL A 35 3.165 3.899 8.463 1.00 11.43 H new ATOM 0 HG22 VAL A 35 2.311 4.618 7.077 1.00 11.43 H new ATOM 0 HG23 VAL A 35 2.612 2.865 7.124 1.00 11.43 H new ATOM 563 N TRP A 36 6.390 3.313 4.488 1.00 11.13 N ATOM 564 CA TRP A 36 7.702 3.478 3.872 1.00 22.30 C ATOM 565 C TRP A 36 7.569 3.867 2.404 1.00 34.24 C ATOM 566 O TRP A 36 8.492 4.430 1.816 1.00 11.01 O ATOM 567 CB TRP A 36 8.514 2.187 3.999 1.00 63.25 C ATOM 568 CG TRP A 36 9.803 2.219 3.237 1.00 54.24 C ATOM 569 CD1 TRP A 36 11.024 2.609 3.710 1.00 33.01 C ATOM 570 CD2 TRP A 36 10.001 1.848 1.869 1.00 62.42 C ATOM 571 NE1 TRP A 36 11.968 2.503 2.717 1.00 21.33 N ATOM 572 CE2 TRP A 36 11.366 2.037 1.578 1.00 3.45 C ATOM 573 CE3 TRP A 36 9.157 1.372 0.861 1.00 55.52 C ATOM 574 CZ2 TRP A 36 11.904 1.768 0.322 1.00 3.54 C ATOM 575 CZ3 TRP A 36 9.692 1.106 -0.384 1.00 22.05 C ATOM 576 CH2 TRP A 36 11.054 1.304 -0.645 1.00 13.14 C ATOM 0 H TRP A 36 6.239 2.403 4.923 1.00 11.13 H new ATOM 0 HA TRP A 36 8.223 4.280 4.395 1.00 22.30 H new ATOM 0 HB2 TRP A 36 8.727 2.002 5.052 1.00 63.25 H new ATOM 0 HB3 TRP A 36 7.911 1.351 3.644 1.00 63.25 H new ATOM 0 HD1 TRP A 36 11.219 2.950 4.716 1.00 33.01 H new ATOM 0 HE1 TRP A 36 12.957 2.734 2.813 1.00 21.33 H new ATOM 0 HE3 TRP A 36 8.106 1.215 1.053 1.00 55.52 H new ATOM 0 HZ2 TRP A 36 12.954 1.920 0.118 1.00 3.54 H new ATOM 0 HZ3 TRP A 36 9.049 0.739 -1.170 1.00 22.05 H new ATOM 0 HH2 TRP A 36 11.441 1.086 -1.629 1.00 13.14 H new ATOM 587 N ALA A 37 6.417 3.563 1.817 1.00 21.33 N ATOM 588 CA ALA A 37 6.164 3.883 0.418 1.00 13.35 C ATOM 589 C ALA A 37 5.449 5.222 0.282 1.00 44.41 C ATOM 590 O ALA A 37 5.888 6.099 -0.462 1.00 11.21 O ATOM 591 CB ALA A 37 5.349 2.778 -0.238 1.00 64.21 C ATOM 0 H ALA A 37 5.643 3.095 2.289 1.00 21.33 H new ATOM 0 HA ALA A 37 7.125 3.961 -0.090 1.00 13.35 H new ATOM 0 HB1 ALA A 37 5.168 3.031 -1.283 1.00 64.21 H new ATOM 0 HB2 ALA A 37 5.899 1.838 -0.182 1.00 64.21 H new ATOM 0 HB3 ALA A 37 4.396 2.672 0.280 1.00 64.21 H new ATOM 597 N SER A 38 4.344 5.374 1.006 1.00 32.13 N ATOM 598 CA SER A 38 3.565 6.606 0.962 1.00 41.22 C ATOM 599 C SER A 38 4.425 7.806 1.347 1.00 64.01 C ATOM 600 O SER A 38 4.225 8.913 0.847 1.00 2.13 O ATOM 601 CB SER A 38 2.359 6.506 1.899 1.00 73.12 C ATOM 602 OG SER A 38 1.474 5.481 1.482 1.00 44.13 O ATOM 0 H SER A 38 3.968 4.660 1.630 1.00 32.13 H new ATOM 0 HA SER A 38 3.211 6.747 -0.059 1.00 41.22 H new ATOM 0 HB2 SER A 38 2.699 6.306 2.915 1.00 73.12 H new ATOM 0 HB3 SER A 38 1.832 7.460 1.921 1.00 73.12 H new ATOM 0 HG SER A 38 1.759 4.626 1.867 1.00 44.13 H new ATOM 608 N ARG A 39 5.381 7.579 2.241 1.00 30.31 N ATOM 609 CA ARG A 39 6.271 8.640 2.695 1.00 51.21 C ATOM 610 C ARG A 39 7.335 8.944 1.645 1.00 74.23 C ATOM 611 O ARG A 39 8.141 9.859 1.812 1.00 60.45 O ATOM 612 CB ARG A 39 6.939 8.246 4.014 1.00 43.22 C ATOM 613 CG ARG A 39 7.530 9.422 4.773 1.00 1.02 C ATOM 614 CD ARG A 39 9.048 9.437 4.683 1.00 4.11 C ATOM 615 NE ARG A 39 9.661 8.498 5.617 1.00 74.21 N ATOM 616 CZ ARG A 39 10.970 8.283 5.691 1.00 10.43 C ATOM 617 NH1 ARG A 39 11.799 8.937 4.889 1.00 44.33 N ATOM 618 NH2 ARG A 39 11.452 7.412 6.568 1.00 70.32 N ATOM 0 H ARG A 39 5.559 6.669 2.666 1.00 30.31 H new ATOM 0 HA ARG A 39 5.673 9.538 2.852 1.00 51.21 H new ATOM 0 HB2 ARG A 39 6.206 7.747 4.648 1.00 43.22 H new ATOM 0 HB3 ARG A 39 7.728 7.523 3.810 1.00 43.22 H new ATOM 0 HG2 ARG A 39 7.131 10.353 4.371 1.00 1.02 H new ATOM 0 HG3 ARG A 39 7.227 9.371 5.819 1.00 1.02 H new ATOM 0 HD2 ARG A 39 9.353 9.188 3.667 1.00 4.11 H new ATOM 0 HD3 ARG A 39 9.413 10.443 4.889 1.00 4.11 H new ATOM 0 HE ARG A 39 9.051 7.978 6.248 1.00 74.21 H new ATOM 0 HH11 ARG A 39 11.432 9.607 4.213 1.00 44.33 H new ATOM 0 HH12 ARG A 39 12.804 8.770 4.948 1.00 44.33 H new ATOM 0 HH21 ARG A 39 10.817 6.907 7.186 1.00 70.32 H new ATOM 0 HH22 ARG A 39 12.457 7.248 6.624 1.00 70.32 H new ATOM 632 N GLU A 40 7.331 8.169 0.564 1.00 54.32 N ATOM 633 CA GLU A 40 8.298 8.356 -0.511 1.00 12.32 C ATOM 634 C GLU A 40 7.692 9.169 -1.652 1.00 42.02 C ATOM 635 O GLU A 40 8.352 10.029 -2.236 1.00 53.24 O ATOM 636 CB GLU A 40 8.779 7.001 -1.035 1.00 4.11 C ATOM 637 CG GLU A 40 10.139 7.058 -1.710 1.00 41.13 C ATOM 638 CD GLU A 40 11.278 6.760 -0.754 1.00 41.21 C ATOM 639 OE1 GLU A 40 11.382 5.604 -0.296 1.00 22.40 O ATOM 640 OE2 GLU A 40 12.065 7.686 -0.464 1.00 70.31 O ATOM 0 H GLU A 40 6.670 7.407 0.410 1.00 54.32 H new ATOM 0 HA GLU A 40 9.149 8.905 -0.109 1.00 12.32 H new ATOM 0 HB2 GLU A 40 8.824 6.295 -0.206 1.00 4.11 H new ATOM 0 HB3 GLU A 40 8.047 6.614 -1.744 1.00 4.11 H new ATOM 0 HG2 GLU A 40 10.163 6.342 -2.532 1.00 41.13 H new ATOM 0 HG3 GLU A 40 10.284 8.047 -2.144 1.00 41.13 H new ATOM 647 N LEU A 41 6.431 8.889 -1.965 1.00 15.15 N ATOM 648 CA LEU A 41 5.735 9.593 -3.037 1.00 35.50 C ATOM 649 C LEU A 41 5.796 11.102 -2.827 1.00 55.24 C ATOM 650 O LEU A 41 6.031 11.860 -3.767 1.00 43.23 O ATOM 651 CB LEU A 41 4.278 9.135 -3.111 1.00 23.11 C ATOM 652 CG LEU A 41 4.052 7.672 -3.494 1.00 75.21 C ATOM 653 CD1 LEU A 41 2.577 7.409 -3.752 1.00 12.02 C ATOM 654 CD2 LEU A 41 4.884 7.306 -4.715 1.00 64.13 C ATOM 0 H LEU A 41 5.870 8.180 -1.492 1.00 15.15 H new ATOM 0 HA LEU A 41 6.232 9.356 -3.977 1.00 35.50 H new ATOM 0 HB2 LEU A 41 3.813 9.312 -2.141 1.00 23.11 H new ATOM 0 HB3 LEU A 41 3.757 9.763 -3.833 1.00 23.11 H new ATOM 0 HG LEU A 41 4.370 7.045 -2.661 1.00 75.21 H new ATOM 0 HD11 LEU A 41 2.436 6.363 -4.023 1.00 12.02 H new ATOM 0 HD12 LEU A 41 2.005 7.631 -2.851 1.00 12.02 H new ATOM 0 HD13 LEU A 41 2.231 8.045 -4.567 1.00 12.02 H new ATOM 0 HD21 LEU A 41 4.711 6.261 -4.973 1.00 64.13 H new ATOM 0 HD22 LEU A 41 4.597 7.940 -5.554 1.00 64.13 H new ATOM 0 HD23 LEU A 41 5.941 7.454 -4.493 1.00 64.13 H new ATOM 666 N GLU A 42 5.585 11.530 -1.586 1.00 42.22 N ATOM 667 CA GLU A 42 5.617 12.950 -1.252 1.00 35.21 C ATOM 668 C GLU A 42 6.901 13.599 -1.761 1.00 0.04 C ATOM 669 O GLU A 42 6.896 14.750 -2.199 1.00 64.15 O ATOM 670 CB GLU A 42 5.500 13.144 0.261 1.00 15.00 C ATOM 671 CG GLU A 42 4.242 13.882 0.685 1.00 73.31 C ATOM 672 CD GLU A 42 3.894 13.652 2.143 1.00 13.11 C ATOM 673 OE1 GLU A 42 4.669 14.100 3.014 1.00 61.42 O ATOM 674 OE2 GLU A 42 2.848 13.026 2.411 1.00 43.25 O ATOM 0 H GLU A 42 5.390 10.915 -0.796 1.00 42.22 H new ATOM 0 HA GLU A 42 4.769 13.431 -1.739 1.00 35.21 H new ATOM 0 HB2 GLU A 42 5.520 12.168 0.746 1.00 15.00 H new ATOM 0 HB3 GLU A 42 6.371 13.694 0.617 1.00 15.00 H new ATOM 0 HG2 GLU A 42 4.376 14.950 0.511 1.00 73.31 H new ATOM 0 HG3 GLU A 42 3.408 13.560 0.061 1.00 73.31 H new ATOM 681 N ARG A 43 7.999 12.853 -1.702 1.00 43.03 N ATOM 682 CA ARG A 43 9.291 13.355 -2.155 1.00 22.33 C ATOM 683 C ARG A 43 9.423 13.225 -3.670 1.00 73.31 C ATOM 684 O ARG A 43 10.214 13.930 -4.297 1.00 71.43 O ATOM 685 CB ARG A 43 10.427 12.598 -1.465 1.00 0.15 C ATOM 686 CG ARG A 43 11.275 13.471 -0.555 1.00 35.43 C ATOM 687 CD ARG A 43 12.317 14.249 -1.344 1.00 54.24 C ATOM 688 NE ARG A 43 11.845 15.583 -1.708 1.00 62.55 N ATOM 689 CZ ARG A 43 12.560 16.447 -2.420 1.00 32.31 C ATOM 690 NH1 ARG A 43 13.773 16.119 -2.842 1.00 32.31 N ATOM 691 NH2 ARG A 43 12.061 17.641 -2.712 1.00 72.33 N ATOM 0 H ARG A 43 8.020 11.898 -1.345 1.00 43.03 H new ATOM 0 HA ARG A 43 9.356 14.411 -1.891 1.00 22.33 H new ATOM 0 HB2 ARG A 43 10.005 11.780 -0.880 1.00 0.15 H new ATOM 0 HB3 ARG A 43 11.067 12.149 -2.224 1.00 0.15 H new ATOM 0 HG2 ARG A 43 10.633 14.166 -0.014 1.00 35.43 H new ATOM 0 HG3 ARG A 43 11.771 12.849 0.190 1.00 35.43 H new ATOM 0 HD2 ARG A 43 13.229 14.336 -0.753 1.00 54.24 H new ATOM 0 HD3 ARG A 43 12.574 13.696 -2.248 1.00 54.24 H new ATOM 0 HE ARG A 43 10.915 15.866 -1.398 1.00 62.55 H new ATOM 0 HH11 ARG A 43 14.159 15.201 -2.620 1.00 32.31 H new ATOM 0 HH12 ARG A 43 14.320 16.784 -3.389 1.00 32.31 H new ATOM 0 HH21 ARG A 43 11.128 17.896 -2.390 1.00 72.33 H new ATOM 0 HH22 ARG A 43 12.611 18.304 -3.259 1.00 72.33 H new ATOM 705 N PHE A 44 8.646 12.318 -4.251 1.00 63.24 N ATOM 706 CA PHE A 44 8.677 12.094 -5.691 1.00 74.41 C ATOM 707 C PHE A 44 7.652 12.973 -6.402 1.00 51.22 C ATOM 708 O PHE A 44 7.193 12.649 -7.496 1.00 41.22 O ATOM 709 CB PHE A 44 8.407 10.620 -6.005 1.00 42.30 C ATOM 710 CG PHE A 44 9.617 9.744 -5.861 1.00 53.24 C ATOM 711 CD1 PHE A 44 10.809 10.078 -6.485 1.00 25.32 C ATOM 712 CD2 PHE A 44 9.565 8.587 -5.101 1.00 64.51 C ATOM 713 CE1 PHE A 44 11.925 9.273 -6.353 1.00 0.24 C ATOM 714 CE2 PHE A 44 10.678 7.779 -4.965 1.00 34.23 C ATOM 715 CZ PHE A 44 11.859 8.122 -5.594 1.00 73.33 C ATOM 0 H PHE A 44 7.987 11.726 -3.746 1.00 63.24 H new ATOM 0 HA PHE A 44 9.670 12.360 -6.053 1.00 74.41 H new ATOM 0 HB2 PHE A 44 7.623 10.254 -5.343 1.00 42.30 H new ATOM 0 HB3 PHE A 44 8.028 10.538 -7.024 1.00 42.30 H new ATOM 0 HD1 PHE A 44 10.866 10.977 -7.081 1.00 25.32 H new ATOM 0 HD2 PHE A 44 8.644 8.313 -4.609 1.00 64.51 H new ATOM 0 HE1 PHE A 44 12.848 9.545 -6.843 1.00 0.24 H new ATOM 0 HE2 PHE A 44 10.624 6.881 -4.368 1.00 34.23 H new ATOM 0 HZ PHE A 44 12.729 7.491 -5.492 1.00 73.33 H new ATOM 725 N ALA A 45 7.299 14.088 -5.770 1.00 64.54 N ATOM 726 CA ALA A 45 6.331 15.016 -6.340 1.00 60.50 C ATOM 727 C ALA A 45 5.029 14.303 -6.693 1.00 21.41 C ATOM 728 O ALA A 45 4.246 14.786 -7.510 1.00 55.33 O ATOM 729 CB ALA A 45 6.912 15.695 -7.571 1.00 72.41 C ATOM 0 H ALA A 45 7.670 14.370 -4.863 1.00 64.54 H new ATOM 0 HA ALA A 45 6.108 15.775 -5.590 1.00 60.50 H new ATOM 0 HB1 ALA A 45 6.178 16.385 -7.986 1.00 72.41 H new ATOM 0 HB2 ALA A 45 7.811 16.245 -7.293 1.00 72.41 H new ATOM 0 HB3 ALA A 45 7.164 14.942 -8.317 1.00 72.41 H new ATOM 735 N VAL A 46 4.805 13.148 -6.072 1.00 43.52 N ATOM 736 CA VAL A 46 3.598 12.370 -6.319 1.00 33.54 C ATOM 737 C VAL A 46 2.716 12.312 -5.077 1.00 73.11 C ATOM 738 O VAL A 46 3.187 12.005 -3.983 1.00 3.11 O ATOM 739 CB VAL A 46 3.938 10.933 -6.761 1.00 43.23 C ATOM 740 CG1 VAL A 46 2.683 10.076 -6.803 1.00 4.25 C ATOM 741 CG2 VAL A 46 4.632 10.944 -8.114 1.00 74.54 C ATOM 0 H VAL A 46 5.444 12.732 -5.395 1.00 43.52 H new ATOM 0 HA VAL A 46 3.057 12.872 -7.121 1.00 33.54 H new ATOM 0 HB VAL A 46 4.621 10.498 -6.031 1.00 43.23 H new ATOM 0 HG11 VAL A 46 2.943 9.065 -7.117 1.00 4.25 H new ATOM 0 HG12 VAL A 46 2.232 10.043 -5.811 1.00 4.25 H new ATOM 0 HG13 VAL A 46 1.973 10.505 -7.511 1.00 4.25 H new ATOM 0 HG21 VAL A 46 4.865 9.922 -8.412 1.00 74.54 H new ATOM 0 HG22 VAL A 46 3.975 11.397 -8.856 1.00 74.54 H new ATOM 0 HG23 VAL A 46 5.554 11.521 -8.045 1.00 74.54 H new ATOM 751 N ASN A 47 1.433 12.609 -5.256 1.00 60.14 N ATOM 752 CA ASN A 47 0.483 12.590 -4.148 1.00 42.33 C ATOM 753 C ASN A 47 0.284 11.171 -3.625 1.00 3.33 C ATOM 754 O ASN A 47 0.123 10.218 -4.389 1.00 12.53 O ATOM 755 CB ASN A 47 -0.859 13.177 -4.590 1.00 42.00 C ATOM 756 CG ASN A 47 -0.857 14.693 -4.586 1.00 51.44 C ATOM 757 OD1 ASN A 47 0.185 15.324 -4.401 1.00 64.11 O ATOM 758 ND2 ASN A 47 -2.028 15.287 -4.788 1.00 33.44 N ATOM 0 H ASN A 47 1.027 12.865 -6.156 1.00 60.14 H new ATOM 0 HA ASN A 47 0.891 13.200 -3.342 1.00 42.33 H new ATOM 0 HB2 ASN A 47 -1.096 12.820 -5.592 1.00 42.00 H new ATOM 0 HB3 ASN A 47 -1.646 12.816 -3.928 1.00 42.00 H new ATOM 0 HD21 ASN A 47 -2.089 16.305 -4.794 1.00 33.44 H new ATOM 0 HD22 ASN A 47 -2.866 14.725 -4.937 1.00 33.44 H new ATOM 765 N PRO A 48 0.293 11.024 -2.292 1.00 51.40 N ATOM 766 CA PRO A 48 0.113 9.726 -1.637 1.00 21.51 C ATOM 767 C PRO A 48 -1.309 9.195 -1.784 1.00 13.04 C ATOM 768 O PRO A 48 -1.618 8.090 -1.341 1.00 71.42 O ATOM 769 CB PRO A 48 0.424 10.023 -0.169 1.00 51.42 C ATOM 770 CG PRO A 48 0.133 11.475 -0.006 1.00 52.30 C ATOM 771 CD PRO A 48 0.479 12.116 -1.321 1.00 12.10 C ATOM 0 HA PRO A 48 0.750 8.957 -2.074 1.00 21.51 H new ATOM 0 HB2 PRO A 48 -0.193 9.419 0.496 1.00 51.42 H new ATOM 0 HB3 PRO A 48 1.464 9.799 0.069 1.00 51.42 H new ATOM 0 HG2 PRO A 48 -0.916 11.637 0.243 1.00 52.30 H new ATOM 0 HG3 PRO A 48 0.723 11.903 0.804 1.00 52.30 H new ATOM 0 HD2 PRO A 48 -0.172 12.963 -1.539 1.00 12.10 H new ATOM 0 HD3 PRO A 48 1.503 12.491 -1.329 1.00 12.10 H new ATOM 779 N GLY A 49 -2.172 9.990 -2.410 1.00 33.23 N ATOM 780 CA GLY A 49 -3.551 9.582 -2.604 1.00 53.04 C ATOM 781 C GLY A 49 -3.722 8.669 -3.801 1.00 32.41 C ATOM 782 O GLY A 49 -4.812 8.149 -4.045 1.00 43.35 O ATOM 0 H GLY A 49 -1.940 10.909 -2.786 1.00 33.23 H new ATOM 0 HA2 GLY A 49 -3.905 9.072 -1.708 1.00 53.04 H new ATOM 0 HA3 GLY A 49 -4.174 10.467 -2.734 1.00 53.04 H new ATOM 786 N LEU A 50 -2.644 8.472 -4.553 1.00 72.45 N ATOM 787 CA LEU A 50 -2.680 7.616 -5.733 1.00 43.22 C ATOM 788 C LEU A 50 -2.300 6.182 -5.377 1.00 13.11 C ATOM 789 O LEU A 50 -1.900 5.401 -6.243 1.00 4.32 O ATOM 790 CB LEU A 50 -1.734 8.155 -6.807 1.00 51.22 C ATOM 791 CG LEU A 50 -1.783 9.664 -7.048 1.00 13.14 C ATOM 792 CD1 LEU A 50 -0.530 10.129 -7.774 1.00 33.10 C ATOM 793 CD2 LEU A 50 -3.028 10.038 -7.839 1.00 62.23 C ATOM 0 H LEU A 50 -1.734 8.894 -4.366 1.00 72.45 H new ATOM 0 HA LEU A 50 -3.698 7.617 -6.121 1.00 43.22 H new ATOM 0 HB2 LEU A 50 -0.714 7.884 -6.534 1.00 51.22 H new ATOM 0 HB3 LEU A 50 -1.958 7.650 -7.747 1.00 51.22 H new ATOM 0 HG LEU A 50 -1.826 10.166 -6.081 1.00 13.14 H new ATOM 0 HD11 LEU A 50 -0.582 11.205 -7.937 1.00 33.10 H new ATOM 0 HD12 LEU A 50 0.348 9.895 -7.171 1.00 33.10 H new ATOM 0 HD13 LEU A 50 -0.456 9.620 -8.735 1.00 33.10 H new ATOM 0 HD21 LEU A 50 -3.046 11.116 -8.001 1.00 62.23 H new ATOM 0 HD22 LEU A 50 -3.015 9.527 -8.801 1.00 62.23 H new ATOM 0 HD23 LEU A 50 -3.916 9.740 -7.282 1.00 62.23 H new ATOM 805 N LEU A 51 -2.429 5.840 -4.101 1.00 41.42 N ATOM 806 CA LEU A 51 -2.101 4.499 -3.630 1.00 62.21 C ATOM 807 C LEU A 51 -3.364 3.727 -3.264 1.00 4.22 C ATOM 808 O LEU A 51 -3.340 2.503 -3.137 1.00 50.22 O ATOM 809 CB LEU A 51 -1.168 4.575 -2.421 1.00 44.45 C ATOM 810 CG LEU A 51 0.159 5.303 -2.641 1.00 72.13 C ATOM 811 CD1 LEU A 51 0.998 5.279 -1.372 1.00 34.42 C ATOM 812 CD2 LEU A 51 0.923 4.679 -3.800 1.00 30.12 C ATOM 0 H LEU A 51 -2.759 6.473 -3.373 1.00 41.42 H new ATOM 0 HA LEU A 51 -1.595 3.971 -4.438 1.00 62.21 H new ATOM 0 HB2 LEU A 51 -1.700 5.069 -1.608 1.00 44.45 H new ATOM 0 HB3 LEU A 51 -0.952 3.559 -2.090 1.00 44.45 H new ATOM 0 HG LEU A 51 -0.055 6.342 -2.890 1.00 72.13 H new ATOM 0 HD11 LEU A 51 1.938 5.802 -1.548 1.00 34.42 H new ATOM 0 HD12 LEU A 51 0.454 5.772 -0.567 1.00 34.42 H new ATOM 0 HD13 LEU A 51 1.204 4.246 -1.091 1.00 34.42 H new ATOM 0 HD21 LEU A 51 1.865 5.209 -3.943 1.00 30.12 H new ATOM 0 HD22 LEU A 51 1.126 3.631 -3.579 1.00 30.12 H new ATOM 0 HD23 LEU A 51 0.326 4.749 -4.709 1.00 30.12 H new ATOM 824 N GLU A 52 -4.468 4.450 -3.099 1.00 13.42 N ATOM 825 CA GLU A 52 -5.741 3.832 -2.749 1.00 15.11 C ATOM 826 C GLU A 52 -6.452 3.310 -3.994 1.00 1.44 C ATOM 827 O GLU A 52 -7.262 2.385 -3.921 1.00 54.43 O ATOM 828 CB GLU A 52 -6.637 4.834 -2.019 1.00 54.22 C ATOM 829 CG GLU A 52 -6.986 6.057 -2.851 1.00 65.32 C ATOM 830 CD GLU A 52 -8.483 6.268 -2.977 1.00 74.33 C ATOM 831 OE1 GLU A 52 -9.215 5.265 -3.103 1.00 34.13 O ATOM 832 OE2 GLU A 52 -8.920 7.438 -2.949 1.00 61.54 O ATOM 0 H GLU A 52 -4.506 5.464 -3.202 1.00 13.42 H new ATOM 0 HA GLU A 52 -5.537 2.990 -2.088 1.00 15.11 H new ATOM 0 HB2 GLU A 52 -7.558 4.334 -1.719 1.00 54.22 H new ATOM 0 HB3 GLU A 52 -6.138 5.157 -1.105 1.00 54.22 H new ATOM 0 HG2 GLU A 52 -6.535 6.940 -2.399 1.00 65.32 H new ATOM 0 HG3 GLU A 52 -6.553 5.951 -3.846 1.00 65.32 H new ATOM 839 N THR A 53 -6.145 3.911 -5.140 1.00 2.40 N ATOM 840 CA THR A 53 -6.755 3.510 -6.401 1.00 11.31 C ATOM 841 C THR A 53 -5.745 2.809 -7.303 1.00 61.24 C ATOM 842 O THR A 53 -4.644 3.312 -7.525 1.00 74.21 O ATOM 843 CB THR A 53 -7.342 4.721 -7.152 1.00 71.23 C ATOM 844 OG1 THR A 53 -6.367 5.258 -8.053 1.00 44.41 O ATOM 845 CG2 THR A 53 -7.786 5.799 -6.175 1.00 1.41 C ATOM 0 H THR A 53 -5.477 4.678 -5.220 1.00 2.40 H new ATOM 0 HA THR A 53 -7.561 2.818 -6.155 1.00 11.31 H new ATOM 0 HB THR A 53 -8.211 4.385 -7.717 1.00 71.23 H new ATOM 0 HG1 THR A 53 -6.748 6.026 -8.527 1.00 44.41 H new ATOM 0 HG21 THR A 53 -8.197 6.644 -6.728 1.00 1.41 H new ATOM 0 HG22 THR A 53 -8.549 5.395 -5.510 1.00 1.41 H new ATOM 0 HG23 THR A 53 -6.931 6.132 -5.587 1.00 1.41 H new ATOM 853 N SER A 54 -6.128 1.646 -7.819 1.00 63.21 N ATOM 854 CA SER A 54 -5.253 0.874 -8.695 1.00 65.35 C ATOM 855 C SER A 54 -4.768 1.724 -9.864 1.00 74.25 C ATOM 856 O SER A 54 -3.681 1.500 -10.398 1.00 5.11 O ATOM 857 CB SER A 54 -5.985 -0.364 -9.218 1.00 61.11 C ATOM 858 OG SER A 54 -6.278 -0.236 -10.598 1.00 24.52 O ATOM 0 H SER A 54 -7.037 1.217 -7.646 1.00 63.21 H new ATOM 0 HA SER A 54 -4.386 0.557 -8.115 1.00 65.35 H new ATOM 0 HB2 SER A 54 -5.372 -1.250 -9.054 1.00 61.11 H new ATOM 0 HB3 SER A 54 -6.909 -0.508 -8.658 1.00 61.11 H new ATOM 0 HG SER A 54 -6.744 -1.040 -10.909 1.00 24.52 H new ATOM 864 N GLU A 55 -5.581 2.700 -10.256 1.00 53.10 N ATOM 865 CA GLU A 55 -5.234 3.584 -11.363 1.00 31.31 C ATOM 866 C GLU A 55 -4.051 4.476 -10.998 1.00 64.33 C ATOM 867 O GLU A 55 -3.235 4.824 -11.850 1.00 22.43 O ATOM 868 CB GLU A 55 -6.437 4.446 -11.752 1.00 21.31 C ATOM 869 CG GLU A 55 -7.123 3.993 -13.029 1.00 62.34 C ATOM 870 CD GLU A 55 -8.176 2.929 -12.780 1.00 74.24 C ATOM 871 OE1 GLU A 55 -7.800 1.747 -12.638 1.00 72.22 O ATOM 872 OE2 GLU A 55 -9.373 3.279 -12.727 1.00 32.21 O ATOM 0 H GLU A 55 -6.483 2.898 -9.824 1.00 53.10 H new ATOM 0 HA GLU A 55 -4.950 2.965 -12.214 1.00 31.31 H new ATOM 0 HB2 GLU A 55 -7.161 4.434 -10.937 1.00 21.31 H new ATOM 0 HB3 GLU A 55 -6.110 5.479 -11.872 1.00 21.31 H new ATOM 0 HG2 GLU A 55 -7.588 4.853 -13.512 1.00 62.34 H new ATOM 0 HG3 GLU A 55 -6.375 3.604 -13.720 1.00 62.34 H new ATOM 879 N GLY A 56 -3.965 4.842 -9.722 1.00 2.44 N ATOM 880 CA GLY A 56 -2.881 5.691 -9.266 1.00 60.43 C ATOM 881 C GLY A 56 -1.519 5.063 -9.489 1.00 23.52 C ATOM 882 O GLY A 56 -0.615 5.700 -10.030 1.00 61.55 O ATOM 0 H GLY A 56 -4.627 4.565 -8.997 1.00 2.44 H new ATOM 0 HA2 GLY A 56 -2.927 6.646 -9.789 1.00 60.43 H new ATOM 0 HA3 GLY A 56 -3.011 5.902 -8.205 1.00 60.43 H new ATOM 886 N CYS A 57 -1.372 3.810 -9.071 1.00 1.34 N ATOM 887 CA CYS A 57 -0.110 3.096 -9.226 1.00 61.44 C ATOM 888 C CYS A 57 0.306 3.040 -10.692 1.00 75.33 C ATOM 889 O CYS A 57 1.456 3.323 -11.032 1.00 42.33 O ATOM 890 CB CYS A 57 -0.231 1.678 -8.664 1.00 52.11 C ATOM 891 SG CYS A 57 0.099 1.558 -6.890 1.00 34.12 S ATOM 0 H CYS A 57 -2.111 3.268 -8.623 1.00 1.34 H new ATOM 0 HA CYS A 57 0.656 3.636 -8.670 1.00 61.44 H new ATOM 0 HB2 CYS A 57 -1.236 1.304 -8.862 1.00 52.11 H new ATOM 0 HB3 CYS A 57 0.462 1.027 -9.197 1.00 52.11 H new ATOM 0 HG CYS A 57 -0.423 0.462 -6.425 1.00 34.12 H new ATOM 897 N ARG A 58 -0.633 2.672 -11.556 1.00 45.23 N ATOM 898 CA ARG A 58 -0.364 2.576 -12.986 1.00 72.24 C ATOM 899 C ARG A 58 0.445 3.777 -13.467 1.00 54.24 C ATOM 900 O ARG A 58 1.278 3.656 -14.365 1.00 21.24 O ATOM 901 CB ARG A 58 -1.674 2.483 -13.769 1.00 61.20 C ATOM 902 CG ARG A 58 -1.482 2.134 -15.236 1.00 44.44 C ATOM 903 CD ARG A 58 -2.746 1.534 -15.835 1.00 73.33 C ATOM 904 NE ARG A 58 -3.727 2.558 -16.181 1.00 53.14 N ATOM 905 CZ ARG A 58 -5.012 2.302 -16.394 1.00 23.32 C ATOM 906 NH1 ARG A 58 -5.469 1.060 -16.297 1.00 2.45 N ATOM 907 NH2 ARG A 58 -5.845 3.287 -16.705 1.00 10.23 N ATOM 0 H ARG A 58 -1.589 2.435 -11.291 1.00 45.23 H new ATOM 0 HA ARG A 58 0.219 1.672 -13.161 1.00 72.24 H new ATOM 0 HB2 ARG A 58 -2.312 1.731 -13.306 1.00 61.20 H new ATOM 0 HB3 ARG A 58 -2.200 3.435 -13.696 1.00 61.20 H new ATOM 0 HG2 ARG A 58 -1.204 3.030 -15.791 1.00 44.44 H new ATOM 0 HG3 ARG A 58 -0.658 1.428 -15.339 1.00 44.44 H new ATOM 0 HD2 ARG A 58 -2.489 0.963 -16.727 1.00 73.33 H new ATOM 0 HD3 ARG A 58 -3.187 0.835 -15.125 1.00 73.33 H new ATOM 0 HE ARG A 58 -3.408 3.523 -16.264 1.00 53.14 H new ATOM 0 HH11 ARG A 58 -4.832 0.300 -16.058 1.00 2.45 H new ATOM 0 HH12 ARG A 58 -6.457 0.866 -16.461 1.00 2.45 H new ATOM 0 HH21 ARG A 58 -5.498 4.243 -16.781 1.00 10.23 H new ATOM 0 HH22 ARG A 58 -6.832 3.088 -16.868 1.00 10.23 H new ATOM 921 N GLN A 59 0.193 4.934 -12.863 1.00 32.04 N ATOM 922 CA GLN A 59 0.898 6.157 -13.233 1.00 64.02 C ATOM 923 C GLN A 59 2.165 6.326 -12.401 1.00 10.24 C ATOM 924 O GLN A 59 3.196 6.770 -12.909 1.00 60.41 O ATOM 925 CB GLN A 59 -0.014 7.371 -13.047 1.00 41.41 C ATOM 926 CG GLN A 59 0.712 8.701 -13.165 1.00 34.31 C ATOM 927 CD GLN A 59 -0.110 9.753 -13.884 1.00 73.15 C ATOM 928 OE1 GLN A 59 -0.386 10.821 -13.336 1.00 22.13 O ATOM 929 NE2 GLN A 59 -0.505 9.456 -15.116 1.00 42.02 N ATOM 0 H GLN A 59 -0.493 5.051 -12.117 1.00 32.04 H new ATOM 0 HA GLN A 59 1.181 6.081 -14.283 1.00 64.02 H new ATOM 0 HB2 GLN A 59 -0.810 7.334 -13.790 1.00 41.41 H new ATOM 0 HB3 GLN A 59 -0.489 7.311 -12.068 1.00 41.41 H new ATOM 0 HG2 GLN A 59 0.965 9.062 -12.168 1.00 34.31 H new ATOM 0 HG3 GLN A 59 1.651 8.552 -13.698 1.00 34.31 H new ATOM 0 HE21 GLN A 59 -0.253 8.559 -15.530 1.00 42.02 H new ATOM 0 HE22 GLN A 59 -1.061 10.125 -15.649 1.00 42.02 H new ATOM 938 N ILE A 60 2.081 5.971 -11.124 1.00 12.03 N ATOM 939 CA ILE A 60 3.222 6.084 -10.224 1.00 52.23 C ATOM 940 C ILE A 60 4.373 5.193 -10.680 1.00 5.40 C ATOM 941 O ILE A 60 5.542 5.496 -10.437 1.00 3.12 O ATOM 942 CB ILE A 60 2.839 5.710 -8.780 1.00 32.11 C ATOM 943 CG1 ILE A 60 1.728 6.629 -8.269 1.00 50.01 C ATOM 944 CG2 ILE A 60 4.058 5.787 -7.872 1.00 62.12 C ATOM 945 CD1 ILE A 60 0.860 5.994 -7.206 1.00 23.10 C ATOM 0 H ILE A 60 1.235 5.603 -10.689 1.00 12.03 H new ATOM 0 HA ILE A 60 3.541 7.126 -10.248 1.00 52.23 H new ATOM 0 HB ILE A 60 2.468 4.685 -8.772 1.00 32.11 H new ATOM 0 HG12 ILE A 60 2.176 7.538 -7.866 1.00 50.01 H new ATOM 0 HG13 ILE A 60 1.100 6.928 -9.108 1.00 50.01 H new ATOM 0 HG21 ILE A 60 3.771 5.520 -6.855 1.00 62.12 H new ATOM 0 HG22 ILE A 60 4.821 5.095 -8.228 1.00 62.12 H new ATOM 0 HG23 ILE A 60 4.456 6.802 -7.882 1.00 62.12 H new ATOM 0 HD11 ILE A 60 0.094 6.703 -6.891 1.00 23.10 H new ATOM 0 HD12 ILE A 60 0.384 5.101 -7.611 1.00 23.10 H new ATOM 0 HD13 ILE A 60 1.476 5.720 -6.349 1.00 23.10 H new ATOM 957 N LEU A 61 4.034 4.094 -11.345 1.00 72.44 N ATOM 958 CA LEU A 61 5.038 3.158 -11.838 1.00 35.22 C ATOM 959 C LEU A 61 5.607 3.623 -13.176 1.00 40.23 C ATOM 960 O LEU A 61 6.706 3.232 -13.565 1.00 64.41 O ATOM 961 CB LEU A 61 4.434 1.761 -11.987 1.00 11.20 C ATOM 962 CG LEU A 61 4.028 1.064 -10.688 1.00 5.40 C ATOM 963 CD1 LEU A 61 2.807 0.185 -10.913 1.00 21.41 C ATOM 964 CD2 LEU A 61 5.184 0.242 -10.138 1.00 13.31 C ATOM 0 H LEU A 61 3.072 3.829 -11.555 1.00 72.44 H new ATOM 0 HA LEU A 61 5.850 3.120 -11.112 1.00 35.22 H new ATOM 0 HB2 LEU A 61 3.555 1.833 -12.627 1.00 11.20 H new ATOM 0 HB3 LEU A 61 5.155 1.129 -12.505 1.00 11.20 H new ATOM 0 HG LEU A 61 3.771 1.828 -9.954 1.00 5.40 H new ATOM 0 HD11 LEU A 61 2.533 -0.303 -9.978 1.00 21.41 H new ATOM 0 HD12 LEU A 61 1.976 0.799 -11.260 1.00 21.41 H new ATOM 0 HD13 LEU A 61 3.037 -0.572 -11.663 1.00 21.41 H new ATOM 0 HD21 LEU A 61 4.876 -0.246 -9.214 1.00 13.31 H new ATOM 0 HD22 LEU A 61 5.473 -0.514 -10.869 1.00 13.31 H new ATOM 0 HD23 LEU A 61 6.032 0.896 -9.937 1.00 13.31 H new ATOM 976 N GLY A 62 4.849 4.464 -13.873 1.00 14.44 N ATOM 977 CA GLY A 62 5.294 4.971 -15.158 1.00 71.11 C ATOM 978 C GLY A 62 6.425 5.972 -15.027 1.00 54.44 C ATOM 979 O GLY A 62 7.260 6.096 -15.922 1.00 13.44 O ATOM 0 H GLY A 62 3.936 4.803 -13.571 1.00 14.44 H new ATOM 0 HA2 GLY A 62 5.621 4.138 -15.780 1.00 71.11 H new ATOM 0 HA3 GLY A 62 4.454 5.441 -15.670 1.00 71.11 H new ATOM 983 N GLN A 63 6.452 6.689 -13.908 1.00 5.40 N ATOM 984 CA GLN A 63 7.487 7.686 -13.663 1.00 21.11 C ATOM 985 C GLN A 63 8.798 7.021 -13.257 1.00 32.12 C ATOM 986 O GLN A 63 9.851 7.296 -13.835 1.00 52.01 O ATOM 987 CB GLN A 63 7.038 8.662 -12.575 1.00 1.12 C ATOM 988 CG GLN A 63 6.644 10.030 -13.109 1.00 22.12 C ATOM 989 CD GLN A 63 6.023 10.915 -12.047 1.00 41.04 C ATOM 990 OE1 GLN A 63 6.720 11.451 -11.183 1.00 20.54 O ATOM 991 NE2 GLN A 63 4.706 11.074 -12.104 1.00 50.04 N ATOM 0 H GLN A 63 5.768 6.598 -13.156 1.00 5.40 H new ATOM 0 HA GLN A 63 7.652 8.237 -14.589 1.00 21.11 H new ATOM 0 HB2 GLN A 63 6.191 8.232 -12.040 1.00 1.12 H new ATOM 0 HB3 GLN A 63 7.844 8.782 -11.851 1.00 1.12 H new ATOM 0 HG2 GLN A 63 7.526 10.524 -13.518 1.00 22.12 H new ATOM 0 HG3 GLN A 63 5.939 9.906 -13.931 1.00 22.12 H new ATOM 0 HE21 GLN A 63 4.168 10.611 -12.837 1.00 50.04 H new ATOM 0 HE22 GLN A 63 4.233 11.659 -11.415 1.00 50.04 H new ATOM 1000 N LEU A 64 8.728 6.145 -12.262 1.00 63.20 N ATOM 1001 CA LEU A 64 9.909 5.440 -11.778 1.00 52.43 C ATOM 1002 C LEU A 64 10.373 4.396 -12.788 1.00 22.21 C ATOM 1003 O LEU A 64 11.536 3.994 -12.790 1.00 2.33 O ATOM 1004 CB LEU A 64 9.613 4.771 -10.434 1.00 33.42 C ATOM 1005 CG LEU A 64 8.845 5.616 -9.418 1.00 20.30 C ATOM 1006 CD1 LEU A 64 8.505 4.791 -8.187 1.00 42.45 C ATOM 1007 CD2 LEU A 64 9.649 6.849 -9.031 1.00 20.43 C ATOM 0 H LEU A 64 7.865 5.906 -11.774 1.00 63.20 H new ATOM 0 HA LEU A 64 10.708 6.170 -11.645 1.00 52.43 H new ATOM 0 HB2 LEU A 64 9.045 3.860 -10.622 1.00 33.42 H new ATOM 0 HB3 LEU A 64 10.559 4.470 -9.985 1.00 33.42 H new ATOM 0 HG LEU A 64 7.914 5.945 -9.879 1.00 20.30 H new ATOM 0 HD11 LEU A 64 7.958 5.409 -7.475 1.00 42.45 H new ATOM 0 HD12 LEU A 64 7.888 3.941 -8.478 1.00 42.45 H new ATOM 0 HD13 LEU A 64 9.424 4.431 -7.725 1.00 42.45 H new ATOM 0 HD21 LEU A 64 9.086 7.438 -8.307 1.00 20.43 H new ATOM 0 HD22 LEU A 64 10.597 6.541 -8.590 1.00 20.43 H new ATOM 0 HD23 LEU A 64 9.841 7.452 -9.919 1.00 20.43 H new ATOM 1019 N GLN A 65 9.454 3.962 -13.646 1.00 34.40 N ATOM 1020 CA GLN A 65 9.770 2.966 -14.663 1.00 74.54 C ATOM 1021 C GLN A 65 11.024 3.357 -15.438 1.00 11.22 C ATOM 1022 O GLN A 65 12.040 2.661 -15.414 1.00 12.54 O ATOM 1023 CB GLN A 65 8.593 2.797 -15.624 1.00 1.32 C ATOM 1024 CG GLN A 65 9.003 2.333 -17.012 1.00 34.33 C ATOM 1025 CD GLN A 65 7.823 1.881 -17.850 1.00 2.33 C ATOM 1026 OE1 GLN A 65 6.674 1.952 -17.412 1.00 12.42 O ATOM 1027 NE2 GLN A 65 8.100 1.413 -19.061 1.00 3.33 N ATOM 0 H GLN A 65 8.486 4.284 -13.657 1.00 34.40 H new ATOM 0 HA GLN A 65 9.958 2.017 -14.160 1.00 74.54 H new ATOM 0 HB2 GLN A 65 7.891 2.078 -15.202 1.00 1.32 H new ATOM 0 HB3 GLN A 65 8.065 3.747 -15.709 1.00 1.32 H new ATOM 0 HG2 GLN A 65 9.518 3.145 -17.525 1.00 34.33 H new ATOM 0 HG3 GLN A 65 9.714 1.512 -16.921 1.00 34.33 H new ATOM 0 HE21 GLN A 65 9.067 1.372 -19.383 1.00 3.33 H new ATOM 0 HE22 GLN A 65 7.346 1.094 -19.669 1.00 3.33 H new ATOM 1036 N PRO A 66 10.953 4.496 -16.141 1.00 33.25 N ATOM 1037 CA PRO A 66 12.074 5.006 -16.938 1.00 42.35 C ATOM 1038 C PRO A 66 13.225 5.500 -16.068 1.00 73.02 C ATOM 1039 O PRO A 66 14.252 5.947 -16.577 1.00 34.32 O ATOM 1040 CB PRO A 66 11.456 6.169 -17.718 1.00 45.11 C ATOM 1041 CG PRO A 66 10.303 6.613 -16.884 1.00 34.12 C ATOM 1042 CD PRO A 66 9.774 5.374 -16.215 1.00 3.52 C ATOM 0 HA PRO A 66 12.508 4.233 -17.572 1.00 42.35 H new ATOM 0 HB2 PRO A 66 12.175 6.976 -17.862 1.00 45.11 H new ATOM 0 HB3 PRO A 66 11.130 5.852 -18.709 1.00 45.11 H new ATOM 0 HG2 PRO A 66 10.617 7.351 -16.146 1.00 34.12 H new ATOM 0 HG3 PRO A 66 9.535 7.083 -17.498 1.00 34.12 H new ATOM 0 HD2 PRO A 66 9.373 5.592 -15.225 1.00 3.52 H new ATOM 0 HD3 PRO A 66 8.969 4.918 -16.792 1.00 3.52 H new ATOM 1050 N SER A 67 13.046 5.416 -14.753 1.00 12.03 N ATOM 1051 CA SER A 67 14.069 5.858 -13.813 1.00 21.34 C ATOM 1052 C SER A 67 14.725 4.664 -13.124 1.00 50.41 C ATOM 1053 O SER A 67 15.771 4.798 -12.488 1.00 55.01 O ATOM 1054 CB SER A 67 13.460 6.794 -12.768 1.00 73.02 C ATOM 1055 OG SER A 67 14.468 7.389 -11.968 1.00 62.14 O ATOM 0 H SER A 67 12.202 5.046 -14.315 1.00 12.03 H new ATOM 0 HA SER A 67 14.833 6.398 -14.372 1.00 21.34 H new ATOM 0 HB2 SER A 67 12.880 7.571 -13.265 1.00 73.02 H new ATOM 0 HB3 SER A 67 12.770 6.237 -12.134 1.00 73.02 H new ATOM 0 HG SER A 67 15.292 7.477 -12.492 1.00 62.14 H new ATOM 1061 N LEU A 68 14.102 3.498 -13.255 1.00 54.32 N ATOM 1062 CA LEU A 68 14.624 2.280 -12.645 1.00 51.33 C ATOM 1063 C LEU A 68 16.070 2.038 -13.064 1.00 32.44 C ATOM 1064 O LEU A 68 16.796 1.285 -12.415 1.00 1.22 O ATOM 1065 CB LEU A 68 13.759 1.080 -13.035 1.00 11.45 C ATOM 1066 CG LEU A 68 12.519 0.837 -12.174 1.00 53.45 C ATOM 1067 CD1 LEU A 68 11.404 0.223 -13.005 1.00 45.41 C ATOM 1068 CD2 LEU A 68 12.860 -0.057 -10.991 1.00 23.41 C ATOM 0 H LEU A 68 13.235 3.370 -13.778 1.00 54.32 H new ATOM 0 HA LEU A 68 14.595 2.404 -11.562 1.00 51.33 H new ATOM 0 HB2 LEU A 68 13.439 1.209 -14.069 1.00 11.45 H new ATOM 0 HB3 LEU A 68 14.380 0.185 -13.003 1.00 11.45 H new ATOM 0 HG LEU A 68 12.171 1.797 -11.791 1.00 53.45 H new ATOM 0 HD11 LEU A 68 10.530 0.057 -12.375 1.00 45.41 H new ATOM 0 HD12 LEU A 68 11.142 0.899 -13.819 1.00 45.41 H new ATOM 0 HD13 LEU A 68 11.739 -0.728 -13.418 1.00 45.41 H new ATOM 0 HD21 LEU A 68 11.966 -0.220 -10.389 1.00 23.41 H new ATOM 0 HD22 LEU A 68 13.232 -1.015 -11.354 1.00 23.41 H new ATOM 0 HD23 LEU A 68 13.626 0.422 -10.382 1.00 23.41 H new ATOM 1080 N GLN A 69 16.482 2.682 -14.152 1.00 45.01 N ATOM 1081 CA GLN A 69 17.842 2.536 -14.656 1.00 41.31 C ATOM 1082 C GLN A 69 18.707 3.719 -14.236 1.00 55.44 C ATOM 1083 O GLN A 69 19.862 3.550 -13.842 1.00 61.45 O ATOM 1084 CB GLN A 69 17.832 2.412 -16.180 1.00 11.23 C ATOM 1085 CG GLN A 69 19.219 2.447 -16.802 1.00 34.25 C ATOM 1086 CD GLN A 69 19.390 1.419 -17.903 1.00 14.15 C ATOM 1087 OE1 GLN A 69 19.174 1.711 -19.081 1.00 73.23 O ATOM 1088 NE2 GLN A 69 19.780 0.207 -17.528 1.00 72.41 N ATOM 0 H GLN A 69 15.894 3.309 -14.700 1.00 45.01 H new ATOM 0 HA GLN A 69 18.267 1.628 -14.227 1.00 41.31 H new ATOM 0 HB2 GLN A 69 17.342 1.479 -16.457 1.00 11.23 H new ATOM 0 HB3 GLN A 69 17.235 3.222 -16.598 1.00 11.23 H new ATOM 0 HG2 GLN A 69 19.407 3.442 -17.206 1.00 34.25 H new ATOM 0 HG3 GLN A 69 19.965 2.272 -16.027 1.00 34.25 H new ATOM 0 HE21 GLN A 69 19.948 0.008 -16.542 1.00 72.41 H new ATOM 0 HE22 GLN A 69 19.912 -0.525 -18.226 1.00 72.41 H new ATOM 1097 N THR A 70 18.142 4.920 -14.323 1.00 72.15 N ATOM 1098 CA THR A 70 18.863 6.132 -13.953 1.00 2.30 C ATOM 1099 C THR A 70 18.993 6.255 -12.438 1.00 21.24 C ATOM 1100 O THR A 70 19.828 7.004 -11.936 1.00 44.22 O ATOM 1101 CB THR A 70 18.164 7.391 -14.500 1.00 71.51 C ATOM 1102 OG1 THR A 70 16.829 7.471 -13.986 1.00 14.44 O ATOM 1103 CG2 THR A 70 18.127 7.371 -16.021 1.00 61.32 C ATOM 0 H THR A 70 17.188 5.079 -14.646 1.00 72.15 H new ATOM 0 HA THR A 70 19.856 6.055 -14.395 1.00 2.30 H new ATOM 0 HB THR A 70 18.731 8.265 -14.178 1.00 71.51 H new ATOM 0 HG1 THR A 70 16.391 8.275 -14.337 1.00 14.44 H new ATOM 0 HG21 THR A 70 17.629 8.270 -16.385 1.00 61.32 H new ATOM 0 HG22 THR A 70 19.145 7.338 -16.409 1.00 61.32 H new ATOM 0 HG23 THR A 70 17.581 6.491 -16.360 1.00 61.32 H new ATOM 1111 N GLY A 71 18.160 5.511 -11.716 1.00 44.23 N ATOM 1112 CA GLY A 71 18.198 5.551 -10.266 1.00 50.53 C ATOM 1113 C GLY A 71 19.021 4.422 -9.676 1.00 3.12 C ATOM 1114 O GLY A 71 19.447 3.517 -10.393 1.00 61.12 O ATOM 0 H GLY A 71 17.460 4.882 -12.109 1.00 44.23 H new ATOM 0 HA2 GLY A 71 18.612 6.506 -9.943 1.00 50.53 H new ATOM 0 HA3 GLY A 71 17.181 5.497 -9.877 1.00 50.53 H new ATOM 1118 N SER A 72 19.244 4.476 -8.367 1.00 15.13 N ATOM 1119 CA SER A 72 20.025 3.453 -7.683 1.00 54.44 C ATOM 1120 C SER A 72 19.116 2.388 -7.078 1.00 51.10 C ATOM 1121 O SER A 72 17.956 2.256 -7.467 1.00 63.24 O ATOM 1122 CB SER A 72 20.886 4.086 -6.587 1.00 2.51 C ATOM 1123 OG SER A 72 20.104 4.419 -5.453 1.00 0.41 O ATOM 0 H SER A 72 18.895 5.217 -7.759 1.00 15.13 H new ATOM 0 HA SER A 72 20.675 2.977 -8.417 1.00 54.44 H new ATOM 0 HB2 SER A 72 21.677 3.395 -6.297 1.00 2.51 H new ATOM 0 HB3 SER A 72 21.372 4.982 -6.974 1.00 2.51 H new ATOM 0 HG SER A 72 20.677 4.820 -4.767 1.00 0.41 H new ATOM 1129 N GLU A 73 19.652 1.632 -6.126 1.00 25.33 N ATOM 1130 CA GLU A 73 18.888 0.578 -5.469 1.00 74.33 C ATOM 1131 C GLU A 73 17.700 1.159 -4.709 1.00 1.23 C ATOM 1132 O GLU A 73 16.751 0.447 -4.382 1.00 73.23 O ATOM 1133 CB GLU A 73 19.784 -0.210 -4.510 1.00 40.14 C ATOM 1134 CG GLU A 73 19.915 -1.681 -4.867 1.00 12.20 C ATOM 1135 CD GLU A 73 21.288 -2.029 -5.407 1.00 75.51 C ATOM 1136 OE1 GLU A 73 22.184 -2.338 -4.593 1.00 72.45 O ATOM 1137 OE2 GLU A 73 21.469 -1.995 -6.641 1.00 24.04 O ATOM 0 H GLU A 73 20.611 1.729 -5.793 1.00 25.33 H new ATOM 0 HA GLU A 73 18.511 -0.095 -6.239 1.00 74.33 H new ATOM 0 HB2 GLU A 73 20.776 0.242 -4.499 1.00 40.14 H new ATOM 0 HB3 GLU A 73 19.384 -0.125 -3.500 1.00 40.14 H new ATOM 0 HG2 GLU A 73 19.712 -2.285 -3.983 1.00 12.20 H new ATOM 0 HG3 GLU A 73 19.160 -1.940 -5.610 1.00 12.20 H new ATOM 1144 N GLU A 74 17.759 2.458 -4.434 1.00 14.31 N ATOM 1145 CA GLU A 74 16.688 3.135 -3.712 1.00 42.01 C ATOM 1146 C GLU A 74 15.426 3.220 -4.566 1.00 54.44 C ATOM 1147 O GLU A 74 14.309 3.153 -4.051 1.00 62.25 O ATOM 1148 CB GLU A 74 17.131 4.539 -3.297 1.00 72.15 C ATOM 1149 CG GLU A 74 17.725 4.601 -1.899 1.00 74.12 C ATOM 1150 CD GLU A 74 18.902 5.553 -1.807 1.00 40.30 C ATOM 1151 OE1 GLU A 74 18.863 6.611 -2.470 1.00 35.35 O ATOM 1152 OE2 GLU A 74 19.861 5.241 -1.071 1.00 54.14 O ATOM 0 H GLU A 74 18.536 3.062 -4.700 1.00 14.31 H new ATOM 0 HA GLU A 74 16.463 2.554 -2.818 1.00 42.01 H new ATOM 0 HB2 GLU A 74 17.868 4.905 -4.012 1.00 72.15 H new ATOM 0 HB3 GLU A 74 16.275 5.211 -3.349 1.00 72.15 H new ATOM 0 HG2 GLU A 74 16.954 4.913 -1.194 1.00 74.12 H new ATOM 0 HG3 GLU A 74 18.045 3.603 -1.600 1.00 74.12 H new ATOM 1159 N LEU A 75 15.612 3.369 -5.872 1.00 4.32 N ATOM 1160 CA LEU A 75 14.489 3.465 -6.799 1.00 74.41 C ATOM 1161 C LEU A 75 13.927 2.083 -7.117 1.00 73.05 C ATOM 1162 O LEU A 75 12.776 1.951 -7.532 1.00 1.10 O ATOM 1163 CB LEU A 75 14.925 4.160 -8.089 1.00 31.43 C ATOM 1164 CG LEU A 75 13.848 4.970 -8.812 1.00 12.04 C ATOM 1165 CD1 LEU A 75 14.323 6.394 -9.053 1.00 3.10 C ATOM 1166 CD2 LEU A 75 13.471 4.302 -10.128 1.00 74.12 C ATOM 0 H LEU A 75 16.530 3.426 -6.314 1.00 4.32 H new ATOM 0 HA LEU A 75 13.706 4.055 -6.323 1.00 74.41 H new ATOM 0 HB2 LEU A 75 15.757 4.825 -7.857 1.00 31.43 H new ATOM 0 HB3 LEU A 75 15.304 3.403 -8.776 1.00 31.43 H new ATOM 0 HG LEU A 75 12.962 5.006 -8.179 1.00 12.04 H new ATOM 0 HD11 LEU A 75 13.544 6.955 -9.568 1.00 3.10 H new ATOM 0 HD12 LEU A 75 14.542 6.871 -8.098 1.00 3.10 H new ATOM 0 HD13 LEU A 75 15.224 6.378 -9.666 1.00 3.10 H new ATOM 0 HD21 LEU A 75 12.703 4.892 -10.629 1.00 74.12 H new ATOM 0 HD22 LEU A 75 14.351 4.234 -10.767 1.00 74.12 H new ATOM 0 HD23 LEU A 75 13.088 3.301 -9.931 1.00 74.12 H new ATOM 1178 N ARG A 76 14.747 1.056 -6.917 1.00 13.02 N ATOM 1179 CA ARG A 76 14.331 -0.316 -7.182 1.00 61.44 C ATOM 1180 C ARG A 76 13.502 -0.866 -6.024 1.00 13.30 C ATOM 1181 O ARG A 76 12.628 -1.710 -6.220 1.00 42.21 O ATOM 1182 CB ARG A 76 15.554 -1.205 -7.416 1.00 23.32 C ATOM 1183 CG ARG A 76 15.550 -1.904 -8.766 1.00 4.35 C ATOM 1184 CD ARG A 76 16.784 -2.772 -8.949 1.00 43.14 C ATOM 1185 NE ARG A 76 17.497 -2.457 -10.184 1.00 40.42 N ATOM 1186 CZ ARG A 76 18.417 -3.248 -10.723 1.00 33.44 C ATOM 1187 NH1 ARG A 76 18.734 -4.396 -10.140 1.00 24.35 N ATOM 1188 NH2 ARG A 76 19.023 -2.893 -11.849 1.00 52.23 N ATOM 0 H ARG A 76 15.703 1.148 -6.573 1.00 13.02 H new ATOM 0 HA ARG A 76 13.713 -0.316 -8.080 1.00 61.44 H new ATOM 0 HB2 ARG A 76 16.455 -0.597 -7.334 1.00 23.32 H new ATOM 0 HB3 ARG A 76 15.603 -1.956 -6.628 1.00 23.32 H new ATOM 0 HG2 ARG A 76 14.655 -2.519 -8.855 1.00 4.35 H new ATOM 0 HG3 ARG A 76 15.506 -1.160 -9.562 1.00 4.35 H new ATOM 0 HD2 ARG A 76 17.453 -2.635 -8.099 1.00 43.14 H new ATOM 0 HD3 ARG A 76 16.491 -3.822 -8.958 1.00 43.14 H new ATOM 0 HE ARG A 76 17.276 -1.581 -10.658 1.00 40.42 H new ATOM 0 HH11 ARG A 76 18.271 -4.674 -9.275 1.00 24.35 H new ATOM 0 HH12 ARG A 76 19.441 -5.001 -10.557 1.00 24.35 H new ATOM 0 HH21 ARG A 76 18.782 -2.011 -12.302 1.00 52.23 H new ATOM 0 HH22 ARG A 76 19.730 -3.502 -12.262 1.00 52.23 H new ATOM 1202 N SER A 77 13.785 -0.382 -4.819 1.00 71.13 N ATOM 1203 CA SER A 77 13.070 -0.829 -3.630 1.00 43.14 C ATOM 1204 C SER A 77 11.620 -0.358 -3.659 1.00 5.51 C ATOM 1205 O SER A 77 10.721 -1.043 -3.170 1.00 23.21 O ATOM 1206 CB SER A 77 13.761 -0.308 -2.367 1.00 20.22 C ATOM 1207 OG SER A 77 14.733 -1.229 -1.902 1.00 2.05 O ATOM 0 H SER A 77 14.504 0.319 -4.641 1.00 71.13 H new ATOM 0 HA SER A 77 13.080 -1.919 -3.619 1.00 43.14 H new ATOM 0 HB2 SER A 77 14.235 0.651 -2.577 1.00 20.22 H new ATOM 0 HB3 SER A 77 13.019 -0.133 -1.588 1.00 20.22 H new ATOM 0 HG SER A 77 15.162 -0.873 -1.096 1.00 2.05 H new ATOM 1213 N LEU A 78 11.398 0.819 -4.237 1.00 22.32 N ATOM 1214 CA LEU A 78 10.056 1.383 -4.332 1.00 32.01 C ATOM 1215 C LEU A 78 9.214 0.619 -5.348 1.00 52.12 C ATOM 1216 O LEU A 78 8.142 0.108 -5.022 1.00 63.23 O ATOM 1217 CB LEU A 78 10.131 2.861 -4.723 1.00 24.32 C ATOM 1218 CG LEU A 78 9.812 3.865 -3.615 1.00 61.44 C ATOM 1219 CD1 LEU A 78 8.459 3.562 -2.992 1.00 63.50 C ATOM 1220 CD2 LEU A 78 10.904 3.853 -2.554 1.00 32.01 C ATOM 0 H LEU A 78 12.130 1.400 -4.646 1.00 22.32 H new ATOM 0 HA LEU A 78 9.581 1.294 -3.355 1.00 32.01 H new ATOM 0 HB2 LEU A 78 11.135 3.067 -5.095 1.00 24.32 H new ATOM 0 HB3 LEU A 78 9.443 3.033 -5.551 1.00 24.32 H new ATOM 0 HG LEU A 78 9.771 4.861 -4.055 1.00 61.44 H new ATOM 0 HD11 LEU A 78 8.250 4.287 -2.206 1.00 63.50 H new ATOM 0 HD12 LEU A 78 7.685 3.622 -3.757 1.00 63.50 H new ATOM 0 HD13 LEU A 78 8.471 2.559 -2.566 1.00 63.50 H new ATOM 0 HD21 LEU A 78 10.661 4.574 -1.773 1.00 32.01 H new ATOM 0 HD22 LEU A 78 10.977 2.857 -2.118 1.00 32.01 H new ATOM 0 HD23 LEU A 78 11.857 4.120 -3.010 1.00 32.01 H new ATOM 1232 N TYR A 79 9.706 0.543 -6.580 1.00 71.32 N ATOM 1233 CA TYR A 79 8.999 -0.160 -7.644 1.00 71.41 C ATOM 1234 C TYR A 79 8.456 -1.496 -7.146 1.00 23.54 C ATOM 1235 O TYR A 79 7.321 -1.866 -7.442 1.00 22.01 O ATOM 1236 CB TYR A 79 9.926 -0.386 -8.839 1.00 71.32 C ATOM 1237 CG TYR A 79 9.208 -0.400 -10.169 1.00 53.22 C ATOM 1238 CD1 TYR A 79 8.512 0.718 -10.616 1.00 62.45 C ATOM 1239 CD2 TYR A 79 9.225 -1.528 -10.979 1.00 12.52 C ATOM 1240 CE1 TYR A 79 7.853 0.710 -11.830 1.00 72.02 C ATOM 1241 CE2 TYR A 79 8.571 -1.544 -12.195 1.00 10.34 C ATOM 1242 CZ TYR A 79 7.886 -0.423 -12.616 1.00 73.02 C ATOM 1243 OH TYR A 79 7.231 -0.435 -13.826 1.00 34.33 O ATOM 0 H TYR A 79 10.592 0.960 -6.866 1.00 71.32 H new ATOM 0 HA TYR A 79 8.158 0.459 -7.958 1.00 71.41 H new ATOM 0 HB2 TYR A 79 10.684 0.397 -8.853 1.00 71.32 H new ATOM 0 HB3 TYR A 79 10.449 -1.333 -8.708 1.00 71.32 H new ATOM 0 HD1 TYR A 79 8.486 1.607 -10.004 1.00 62.45 H new ATOM 0 HD2 TYR A 79 9.759 -2.408 -10.652 1.00 12.52 H new ATOM 0 HE1 TYR A 79 7.315 1.586 -12.162 1.00 72.02 H new ATOM 0 HE2 TYR A 79 8.596 -2.429 -12.813 1.00 10.34 H new ATOM 0 HH TYR A 79 7.353 -1.307 -14.256 1.00 34.33 H new ATOM 1253 N ASN A 80 9.277 -2.217 -6.389 1.00 2.45 N ATOM 1254 CA ASN A 80 8.881 -3.512 -5.850 1.00 23.51 C ATOM 1255 C ASN A 80 7.579 -3.398 -5.062 1.00 74.55 C ATOM 1256 O ASN A 80 6.542 -3.921 -5.474 1.00 54.42 O ATOM 1257 CB ASN A 80 9.986 -4.075 -4.954 1.00 60.42 C ATOM 1258 CG ASN A 80 11.289 -4.279 -5.702 1.00 54.42 C ATOM 1259 OD1 ASN A 80 11.404 -3.929 -6.877 1.00 73.33 O ATOM 1260 ND2 ASN A 80 12.278 -4.848 -5.023 1.00 21.30 N ATOM 0 H ASN A 80 10.221 -1.926 -6.135 1.00 2.45 H new ATOM 0 HA ASN A 80 8.720 -4.192 -6.687 1.00 23.51 H new ATOM 0 HB2 ASN A 80 10.153 -3.396 -4.118 1.00 60.42 H new ATOM 0 HB3 ASN A 80 9.659 -5.026 -4.533 1.00 60.42 H new ATOM 0 HD21 ASN A 80 13.178 -5.011 -5.474 1.00 21.30 H new ATOM 0 HD22 ASN A 80 12.137 -5.122 -4.051 1.00 21.30 H new ATOM 1267 N THR A 81 7.641 -2.712 -3.925 1.00 10.33 N ATOM 1268 CA THR A 81 6.469 -2.528 -3.079 1.00 61.51 C ATOM 1269 C THR A 81 5.296 -1.969 -3.876 1.00 35.52 C ATOM 1270 O THR A 81 4.220 -2.567 -3.917 1.00 11.30 O ATOM 1271 CB THR A 81 6.770 -1.585 -1.899 1.00 23.31 C ATOM 1272 OG1 THR A 81 7.786 -2.152 -1.065 1.00 21.21 O ATOM 1273 CG2 THR A 81 5.515 -1.330 -1.077 1.00 72.34 C ATOM 0 H THR A 81 8.491 -2.275 -3.569 1.00 10.33 H new ATOM 0 HA THR A 81 6.204 -3.511 -2.690 1.00 61.51 H new ATOM 0 HB THR A 81 7.121 -0.635 -2.302 1.00 23.31 H new ATOM 0 HG1 THR A 81 7.973 -1.545 -0.318 1.00 21.21 H new ATOM 0 HG21 THR A 81 5.752 -0.662 -0.249 1.00 72.34 H new ATOM 0 HG22 THR A 81 4.754 -0.871 -1.708 1.00 72.34 H new ATOM 0 HG23 THR A 81 5.139 -2.275 -0.684 1.00 72.34 H new ATOM 1281 N ILE A 82 5.511 -0.821 -4.509 1.00 64.25 N ATOM 1282 CA ILE A 82 4.471 -0.183 -5.306 1.00 14.35 C ATOM 1283 C ILE A 82 3.751 -1.200 -6.186 1.00 52.15 C ATOM 1284 O ILE A 82 2.525 -1.183 -6.294 1.00 10.10 O ATOM 1285 CB ILE A 82 5.051 0.931 -6.199 1.00 65.31 C ATOM 1286 CG1 ILE A 82 5.693 2.021 -5.338 1.00 41.32 C ATOM 1287 CG2 ILE A 82 3.963 1.520 -7.084 1.00 22.01 C ATOM 1288 CD1 ILE A 82 6.436 3.066 -6.142 1.00 23.11 C ATOM 0 H ILE A 82 6.396 -0.314 -4.485 1.00 64.25 H new ATOM 0 HA ILE A 82 3.761 0.256 -4.605 1.00 14.35 H new ATOM 0 HB ILE A 82 5.820 0.500 -6.840 1.00 65.31 H new ATOM 0 HG12 ILE A 82 4.918 2.511 -4.749 1.00 41.32 H new ATOM 0 HG13 ILE A 82 6.384 1.557 -4.634 1.00 41.32 H new ATOM 0 HG21 ILE A 82 4.388 2.306 -7.709 1.00 22.01 H new ATOM 0 HG22 ILE A 82 3.546 0.737 -7.718 1.00 22.01 H new ATOM 0 HG23 ILE A 82 3.174 1.940 -6.460 1.00 22.01 H new ATOM 0 HD11 ILE A 82 6.865 3.807 -5.467 1.00 23.11 H new ATOM 0 HD12 ILE A 82 7.233 2.588 -6.711 1.00 23.11 H new ATOM 0 HD13 ILE A 82 5.745 3.557 -6.827 1.00 23.11 H new ATOM 1300 N ALA A 83 4.520 -2.085 -6.809 1.00 34.12 N ATOM 1301 CA ALA A 83 3.956 -3.112 -7.675 1.00 11.01 C ATOM 1302 C ALA A 83 2.915 -3.944 -6.934 1.00 24.12 C ATOM 1303 O ALA A 83 1.818 -4.180 -7.441 1.00 50.24 O ATOM 1304 CB ALA A 83 5.058 -4.007 -8.221 1.00 31.33 C ATOM 0 H ALA A 83 5.537 -2.112 -6.730 1.00 34.12 H new ATOM 0 HA ALA A 83 3.460 -2.616 -8.509 1.00 11.01 H new ATOM 0 HB1 ALA A 83 4.621 -4.769 -8.866 1.00 31.33 H new ATOM 0 HB2 ALA A 83 5.764 -3.406 -8.795 1.00 31.33 H new ATOM 0 HB3 ALA A 83 5.580 -4.488 -7.393 1.00 31.33 H new ATOM 1310 N VAL A 84 3.265 -4.388 -5.731 1.00 34.22 N ATOM 1311 CA VAL A 84 2.361 -5.194 -4.919 1.00 50.40 C ATOM 1312 C VAL A 84 0.999 -4.521 -4.782 1.00 74.32 C ATOM 1313 O VAL A 84 -0.040 -5.163 -4.941 1.00 33.01 O ATOM 1314 CB VAL A 84 2.942 -5.445 -3.514 1.00 4.14 C ATOM 1315 CG1 VAL A 84 1.961 -6.241 -2.667 1.00 23.23 C ATOM 1316 CG2 VAL A 84 4.279 -6.161 -3.612 1.00 73.13 C ATOM 0 H VAL A 84 4.169 -4.203 -5.297 1.00 34.22 H new ATOM 0 HA VAL A 84 2.241 -6.149 -5.430 1.00 50.40 H new ATOM 0 HB VAL A 84 3.107 -4.483 -3.029 1.00 4.14 H new ATOM 0 HG11 VAL A 84 2.387 -6.409 -1.678 1.00 23.23 H new ATOM 0 HG12 VAL A 84 1.029 -5.685 -2.570 1.00 23.23 H new ATOM 0 HG13 VAL A 84 1.763 -7.200 -3.145 1.00 23.23 H new ATOM 0 HG21 VAL A 84 4.675 -6.330 -2.611 1.00 73.13 H new ATOM 0 HG22 VAL A 84 4.143 -7.118 -4.115 1.00 73.13 H new ATOM 0 HG23 VAL A 84 4.979 -5.549 -4.180 1.00 73.13 H new ATOM 1326 N LEU A 85 1.013 -3.226 -4.487 1.00 22.11 N ATOM 1327 CA LEU A 85 -0.222 -2.466 -4.330 1.00 42.14 C ATOM 1328 C LEU A 85 -1.078 -2.548 -5.589 1.00 61.12 C ATOM 1329 O LEU A 85 -2.246 -2.935 -5.535 1.00 74.44 O ATOM 1330 CB LEU A 85 0.094 -1.004 -4.009 1.00 2.33 C ATOM 1331 CG LEU A 85 -1.111 -0.095 -3.762 1.00 0.34 C ATOM 1332 CD1 LEU A 85 -2.060 -0.728 -2.756 1.00 52.22 C ATOM 1333 CD2 LEU A 85 -0.655 1.275 -3.281 1.00 41.33 C ATOM 0 H LEU A 85 1.864 -2.681 -4.352 1.00 22.11 H new ATOM 0 HA LEU A 85 -0.784 -2.901 -3.503 1.00 42.14 H new ATOM 0 HB2 LEU A 85 0.732 -0.977 -3.125 1.00 2.33 H new ATOM 0 HB3 LEU A 85 0.674 -0.589 -4.833 1.00 2.33 H new ATOM 0 HG LEU A 85 -1.646 0.032 -4.703 1.00 0.34 H new ATOM 0 HD11 LEU A 85 -2.911 -0.067 -2.593 1.00 52.22 H new ATOM 0 HD12 LEU A 85 -2.412 -1.685 -3.141 1.00 52.22 H new ATOM 0 HD13 LEU A 85 -1.538 -0.886 -1.813 1.00 52.22 H new ATOM 0 HD21 LEU A 85 -1.525 1.909 -3.110 1.00 41.33 H new ATOM 0 HD22 LEU A 85 -0.097 1.167 -2.351 1.00 41.33 H new ATOM 0 HD23 LEU A 85 -0.016 1.732 -4.037 1.00 41.33 H new ATOM 1345 N TYR A 86 -0.489 -2.186 -6.722 1.00 15.44 N ATOM 1346 CA TYR A 86 -1.197 -2.218 -7.997 1.00 23.11 C ATOM 1347 C TYR A 86 -1.934 -3.541 -8.177 1.00 73.54 C ATOM 1348 O TYR A 86 -3.137 -3.565 -8.437 1.00 23.42 O ATOM 1349 CB TYR A 86 -0.219 -2.005 -9.154 1.00 43.31 C ATOM 1350 CG TYR A 86 -0.833 -2.237 -10.516 1.00 72.12 C ATOM 1351 CD1 TYR A 86 -1.873 -1.438 -10.977 1.00 72.23 C ATOM 1352 CD2 TYR A 86 -0.373 -3.254 -11.343 1.00 71.15 C ATOM 1353 CE1 TYR A 86 -2.437 -1.647 -12.220 1.00 75.34 C ATOM 1354 CE2 TYR A 86 -0.929 -3.470 -12.588 1.00 4.43 C ATOM 1355 CZ TYR A 86 -1.961 -2.664 -13.022 1.00 3.33 C ATOM 1356 OH TYR A 86 -2.520 -2.875 -14.262 1.00 73.01 O ATOM 0 H TYR A 86 0.478 -1.867 -6.785 1.00 15.44 H new ATOM 0 HA TYR A 86 -1.930 -1.411 -7.997 1.00 23.11 H new ATOM 0 HB2 TYR A 86 0.169 -0.987 -9.108 1.00 43.31 H new ATOM 0 HB3 TYR A 86 0.631 -2.676 -9.029 1.00 43.31 H new ATOM 0 HD1 TYR A 86 -2.246 -0.640 -10.352 1.00 72.23 H new ATOM 0 HD2 TYR A 86 0.434 -3.887 -11.006 1.00 71.15 H new ATOM 0 HE1 TYR A 86 -3.246 -1.018 -12.562 1.00 75.34 H new ATOM 0 HE2 TYR A 86 -0.558 -4.265 -13.218 1.00 4.43 H new ATOM 0 HH TYR A 86 -2.070 -3.628 -14.700 1.00 73.01 H new ATOM 1366 N CYS A 87 -1.203 -4.642 -8.034 1.00 42.22 N ATOM 1367 CA CYS A 87 -1.786 -5.971 -8.180 1.00 35.53 C ATOM 1368 C CYS A 87 -2.834 -6.227 -7.103 1.00 44.24 C ATOM 1369 O CYS A 87 -3.858 -6.862 -7.356 1.00 72.22 O ATOM 1370 CB CYS A 87 -0.694 -7.040 -8.110 1.00 32.22 C ATOM 1371 SG CYS A 87 0.110 -7.378 -9.693 1.00 22.44 S ATOM 0 H CYS A 87 -0.206 -4.640 -7.817 1.00 42.22 H new ATOM 0 HA CYS A 87 -2.273 -6.022 -9.154 1.00 35.53 H new ATOM 0 HB2 CYS A 87 0.062 -6.725 -7.391 1.00 32.22 H new ATOM 0 HB3 CYS A 87 -1.129 -7.965 -7.731 1.00 32.22 H new ATOM 0 HG CYS A 87 1.019 -8.293 -9.531 1.00 22.44 H new ATOM 1377 N VAL A 88 -2.572 -5.729 -5.898 1.00 4.31 N ATOM 1378 CA VAL A 88 -3.493 -5.903 -4.781 1.00 13.13 C ATOM 1379 C VAL A 88 -4.847 -5.270 -5.081 1.00 31.52 C ATOM 1380 O VAL A 88 -5.889 -5.788 -4.677 1.00 14.25 O ATOM 1381 CB VAL A 88 -2.927 -5.289 -3.487 1.00 31.42 C ATOM 1382 CG1 VAL A 88 -4.031 -5.103 -2.457 1.00 72.34 C ATOM 1383 CG2 VAL A 88 -1.808 -6.157 -2.930 1.00 2.22 C ATOM 0 H VAL A 88 -1.729 -5.202 -5.671 1.00 4.31 H new ATOM 0 HA VAL A 88 -3.621 -6.976 -4.640 1.00 13.13 H new ATOM 0 HB VAL A 88 -2.513 -4.309 -3.722 1.00 31.42 H new ATOM 0 HG11 VAL A 88 -3.612 -4.668 -1.549 1.00 72.34 H new ATOM 0 HG12 VAL A 88 -4.795 -4.438 -2.859 1.00 72.34 H new ATOM 0 HG13 VAL A 88 -4.477 -6.070 -2.224 1.00 72.34 H new ATOM 0 HG21 VAL A 88 -1.420 -5.708 -2.016 1.00 2.22 H new ATOM 0 HG22 VAL A 88 -2.195 -7.152 -2.710 1.00 2.22 H new ATOM 0 HG23 VAL A 88 -1.007 -6.234 -3.665 1.00 2.22 H new ATOM 1393 N HIS A 89 -4.825 -4.148 -5.792 1.00 20.43 N ATOM 1394 CA HIS A 89 -6.052 -3.443 -6.149 1.00 20.23 C ATOM 1395 C HIS A 89 -6.730 -4.106 -7.345 1.00 22.24 C ATOM 1396 O HIS A 89 -7.959 -4.081 -7.383 1.00 62.43 O ATOM 1397 CB HIS A 89 -5.751 -1.978 -6.466 1.00 23.03 C ATOM 1398 CG HIS A 89 -5.537 -1.134 -5.248 1.00 51.41 C ATOM 1399 ND1 HIS A 89 -6.426 -1.094 -4.194 1.00 42.13 N ATOM 1400 CD2 HIS A 89 -4.528 -0.295 -4.917 1.00 4.25 C ATOM 1401 CE1 HIS A 89 -5.972 -0.266 -3.269 1.00 1.34 C ATOM 1402 NE2 HIS A 89 -4.822 0.232 -3.685 1.00 71.12 N ATOM 0 H HIS A 89 -3.971 -3.707 -6.133 1.00 20.43 H new ATOM 0 HA HIS A 89 -6.730 -3.490 -5.297 1.00 20.23 H new ATOM 0 HB2 HIS A 89 -4.862 -1.926 -7.095 1.00 23.03 H new ATOM 0 HB3 HIS A 89 -6.576 -1.563 -7.045 1.00 23.03 H new ATOM 0 HD2 HIS A 89 -3.653 -0.080 -5.513 1.00 4.25 H new ATOM 0 HE1 HIS A 89 -6.459 -0.036 -2.333 1.00 1.34 H new ATOM 0 HE2 HIS A 89 -4.246 0.900 -3.173 1.00 71.12 H new ATOM 1411 N GLN A 90 -5.988 -4.677 -8.289 1.00 53.44 N ATOM 1412 CA GLN A 90 -6.592 -5.320 -9.450 1.00 74.22 C ATOM 1413 C GLN A 90 -7.030 -6.742 -9.116 1.00 71.21 C ATOM 1414 O GLN A 90 -7.309 -7.542 -10.011 1.00 42.14 O ATOM 1415 CB GLN A 90 -5.605 -5.339 -10.619 1.00 4.24 C ATOM 1416 CG GLN A 90 -6.083 -4.553 -11.830 1.00 53.43 C ATOM 1417 CD GLN A 90 -7.018 -5.354 -12.714 1.00 63.24 C ATOM 1418 OE1 GLN A 90 -8.239 -5.291 -12.562 1.00 71.21 O ATOM 1419 NE2 GLN A 90 -6.450 -6.112 -13.644 1.00 75.53 N ATOM 0 H GLN A 90 -4.969 -4.707 -8.272 1.00 53.44 H new ATOM 0 HA GLN A 90 -7.473 -4.745 -9.737 1.00 74.22 H new ATOM 0 HB2 GLN A 90 -4.651 -4.932 -10.285 1.00 4.24 H new ATOM 0 HB3 GLN A 90 -5.424 -6.372 -10.915 1.00 4.24 H new ATOM 0 HG2 GLN A 90 -6.592 -3.650 -11.494 1.00 53.43 H new ATOM 0 HG3 GLN A 90 -5.220 -4.234 -12.415 1.00 53.43 H new ATOM 0 HE21 GLN A 90 -5.434 -6.133 -13.734 1.00 75.53 H new ATOM 0 HE22 GLN A 90 -7.029 -6.673 -14.269 1.00 75.53 H new ATOM 1428 N ARG A 91 -7.088 -7.051 -7.825 1.00 23.14 N ATOM 1429 CA ARG A 91 -7.493 -8.377 -7.374 1.00 74.50 C ATOM 1430 C ARG A 91 -6.521 -9.441 -7.878 1.00 74.04 C ATOM 1431 O ARG A 91 -6.932 -10.531 -8.278 1.00 53.13 O ATOM 1432 CB ARG A 91 -8.908 -8.695 -7.858 1.00 51.32 C ATOM 1433 CG ARG A 91 -9.621 -9.739 -7.013 1.00 54.41 C ATOM 1434 CD ARG A 91 -10.698 -10.459 -7.808 1.00 1.01 C ATOM 1435 NE ARG A 91 -12.018 -9.869 -7.602 1.00 2.23 N ATOM 1436 CZ ARG A 91 -13.146 -10.423 -8.033 1.00 22.04 C ATOM 1437 NH1 ARG A 91 -13.114 -11.573 -8.691 1.00 20.21 N ATOM 1438 NH2 ARG A 91 -14.309 -9.825 -7.806 1.00 52.32 N ATOM 0 H ARG A 91 -6.860 -6.401 -7.073 1.00 23.14 H new ATOM 0 HA ARG A 91 -7.480 -8.382 -6.284 1.00 74.50 H new ATOM 0 HB2 ARG A 91 -9.497 -7.778 -7.860 1.00 51.32 H new ATOM 0 HB3 ARG A 91 -8.860 -9.045 -8.889 1.00 51.32 H new ATOM 0 HG2 ARG A 91 -8.897 -10.463 -6.641 1.00 54.41 H new ATOM 0 HG3 ARG A 91 -10.069 -9.260 -6.143 1.00 54.41 H new ATOM 0 HD2 ARG A 91 -10.448 -10.427 -8.868 1.00 1.01 H new ATOM 0 HD3 ARG A 91 -10.721 -11.509 -7.518 1.00 1.01 H new ATOM 0 HE ARG A 91 -12.077 -8.983 -7.100 1.00 2.23 H new ATOM 0 HH11 ARG A 91 -12.222 -12.035 -8.868 1.00 20.21 H new ATOM 0 HH12 ARG A 91 -13.981 -11.996 -9.021 1.00 20.21 H new ATOM 0 HH21 ARG A 91 -14.337 -8.940 -7.300 1.00 52.32 H new ATOM 0 HH22 ARG A 91 -15.175 -10.251 -8.137 1.00 52.32 H new ATOM 1452 N ILE A 92 -5.233 -9.117 -7.854 1.00 31.10 N ATOM 1453 CA ILE A 92 -4.204 -10.045 -8.307 1.00 35.13 C ATOM 1454 C ILE A 92 -3.389 -10.577 -7.134 1.00 72.32 C ATOM 1455 O ILE A 92 -2.792 -9.809 -6.379 1.00 0.12 O ATOM 1456 CB ILE A 92 -3.252 -9.380 -9.319 1.00 31.12 C ATOM 1457 CG1 ILE A 92 -4.048 -8.741 -10.459 1.00 24.00 C ATOM 1458 CG2 ILE A 92 -2.262 -10.398 -9.864 1.00 61.32 C ATOM 1459 CD1 ILE A 92 -3.183 -8.040 -11.482 1.00 63.04 C ATOM 0 H ILE A 92 -4.877 -8.219 -7.526 1.00 31.10 H new ATOM 0 HA ILE A 92 -4.719 -10.873 -8.794 1.00 35.13 H new ATOM 0 HB ILE A 92 -2.693 -8.596 -8.807 1.00 31.12 H new ATOM 0 HG12 ILE A 92 -4.634 -9.512 -10.958 1.00 24.00 H new ATOM 0 HG13 ILE A 92 -4.755 -8.024 -10.041 1.00 24.00 H new ATOM 0 HG21 ILE A 92 -1.596 -9.912 -10.578 1.00 61.32 H new ATOM 0 HG22 ILE A 92 -1.675 -10.810 -9.043 1.00 61.32 H new ATOM 0 HG23 ILE A 92 -2.804 -11.202 -10.362 1.00 61.32 H new ATOM 0 HD11 ILE A 92 -3.815 -7.611 -12.260 1.00 63.04 H new ATOM 0 HD12 ILE A 92 -2.616 -7.246 -10.996 1.00 63.04 H new ATOM 0 HD13 ILE A 92 -2.494 -8.757 -11.928 1.00 63.04 H new ATOM 1471 N ASP A 93 -3.367 -11.897 -6.987 1.00 34.32 N ATOM 1472 CA ASP A 93 -2.622 -12.535 -5.907 1.00 73.13 C ATOM 1473 C ASP A 93 -1.340 -13.173 -6.433 1.00 21.25 C ATOM 1474 O ASP A 93 -1.382 -14.061 -7.286 1.00 13.51 O ATOM 1475 CB ASP A 93 -3.486 -13.591 -5.216 1.00 23.15 C ATOM 1476 CG ASP A 93 -3.671 -13.311 -3.738 1.00 70.53 C ATOM 1477 OD1 ASP A 93 -4.393 -12.350 -3.401 1.00 3.13 O ATOM 1478 OD2 ASP A 93 -3.093 -14.054 -2.918 1.00 42.14 O ATOM 0 H ASP A 93 -3.857 -12.547 -7.602 1.00 34.32 H new ATOM 0 HA ASP A 93 -2.353 -11.767 -5.182 1.00 73.13 H new ATOM 0 HB2 ASP A 93 -4.462 -13.631 -5.700 1.00 23.15 H new ATOM 0 HB3 ASP A 93 -3.027 -14.571 -5.342 1.00 23.15 H new ATOM 1483 N VAL A 94 -0.202 -12.715 -5.921 1.00 25.23 N ATOM 1484 CA VAL A 94 1.091 -13.242 -6.339 1.00 45.30 C ATOM 1485 C VAL A 94 1.675 -14.169 -5.280 1.00 70.21 C ATOM 1486 O VAL A 94 1.106 -14.334 -4.200 1.00 14.21 O ATOM 1487 CB VAL A 94 2.094 -12.107 -6.621 1.00 3.24 C ATOM 1488 CG1 VAL A 94 1.715 -11.364 -7.894 1.00 40.13 C ATOM 1489 CG2 VAL A 94 2.166 -11.153 -5.438 1.00 3.20 C ATOM 0 H VAL A 94 -0.150 -11.980 -5.216 1.00 25.23 H new ATOM 0 HA VAL A 94 0.922 -13.805 -7.257 1.00 45.30 H new ATOM 0 HB VAL A 94 3.082 -12.545 -6.765 1.00 3.24 H new ATOM 0 HG11 VAL A 94 2.434 -10.566 -8.077 1.00 40.13 H new ATOM 0 HG12 VAL A 94 1.720 -12.057 -8.735 1.00 40.13 H new ATOM 0 HG13 VAL A 94 0.719 -10.936 -7.783 1.00 40.13 H new ATOM 0 HG21 VAL A 94 2.879 -10.358 -5.655 1.00 3.20 H new ATOM 0 HG22 VAL A 94 1.182 -10.719 -5.260 1.00 3.20 H new ATOM 0 HG23 VAL A 94 2.488 -11.698 -4.551 1.00 3.20 H new ATOM 1499 N LYS A 95 2.815 -14.774 -5.595 1.00 61.10 N ATOM 1500 CA LYS A 95 3.480 -15.685 -4.671 1.00 65.43 C ATOM 1501 C LYS A 95 4.571 -14.964 -3.886 1.00 21.21 C ATOM 1502 O LYS A 95 5.129 -15.511 -2.934 1.00 11.45 O ATOM 1503 CB LYS A 95 4.081 -16.869 -5.432 1.00 2.22 C ATOM 1504 CG LYS A 95 3.067 -17.941 -5.788 1.00 30.32 C ATOM 1505 CD LYS A 95 2.782 -18.855 -4.608 1.00 51.42 C ATOM 1506 CE LYS A 95 1.480 -18.482 -3.916 1.00 32.01 C ATOM 1507 NZ LYS A 95 0.330 -19.275 -4.433 1.00 53.43 N ATOM 0 H LYS A 95 3.298 -14.650 -6.485 1.00 61.10 H new ATOM 0 HA LYS A 95 2.735 -16.055 -3.967 1.00 65.43 H new ATOM 0 HB2 LYS A 95 4.547 -16.503 -6.347 1.00 2.22 H new ATOM 0 HB3 LYS A 95 4.871 -17.315 -4.828 1.00 2.22 H new ATOM 0 HG2 LYS A 95 2.140 -17.471 -6.117 1.00 30.32 H new ATOM 0 HG3 LYS A 95 3.440 -18.532 -6.625 1.00 30.32 H new ATOM 0 HD2 LYS A 95 2.730 -19.888 -4.951 1.00 51.42 H new ATOM 0 HD3 LYS A 95 3.604 -18.797 -3.895 1.00 51.42 H new ATOM 0 HE2 LYS A 95 1.580 -18.644 -2.843 1.00 32.01 H new ATOM 0 HE3 LYS A 95 1.283 -17.420 -4.061 1.00 32.01 H new ATOM 0 HZ1 LYS A 95 -0.539 -18.991 -3.936 1.00 53.43 H new ATOM 0 HZ2 LYS A 95 0.219 -19.101 -5.452 1.00 53.43 H new ATOM 0 HZ3 LYS A 95 0.506 -20.287 -4.272 1.00 53.43 H new ATOM 1521 N ASP A 96 4.870 -13.735 -4.291 1.00 23.21 N ATOM 1522 CA ASP A 96 5.894 -12.938 -3.624 1.00 3.33 C ATOM 1523 C ASP A 96 6.062 -11.586 -4.310 1.00 65.20 C ATOM 1524 O ASP A 96 5.395 -11.294 -5.304 1.00 34.32 O ATOM 1525 CB ASP A 96 7.227 -13.688 -3.612 1.00 1.53 C ATOM 1526 CG ASP A 96 7.602 -14.223 -4.980 1.00 52.43 C ATOM 1527 OD1 ASP A 96 7.649 -13.422 -5.938 1.00 31.01 O ATOM 1528 OD2 ASP A 96 7.851 -15.440 -5.092 1.00 64.40 O ATOM 0 H ASP A 96 4.418 -13.269 -5.078 1.00 23.21 H new ATOM 0 HA ASP A 96 5.574 -12.766 -2.596 1.00 3.33 H new ATOM 0 HB2 ASP A 96 8.013 -13.021 -3.258 1.00 1.53 H new ATOM 0 HB3 ASP A 96 7.169 -14.515 -2.905 1.00 1.53 H new ATOM 1533 N THR A 97 6.957 -10.763 -3.772 1.00 4.35 N ATOM 1534 CA THR A 97 7.211 -9.440 -4.331 1.00 32.11 C ATOM 1535 C THR A 97 8.078 -9.529 -5.581 1.00 71.31 C ATOM 1536 O THR A 97 8.266 -8.541 -6.291 1.00 45.02 O ATOM 1537 CB THR A 97 7.902 -8.521 -3.305 1.00 25.24 C ATOM 1538 OG1 THR A 97 7.170 -8.525 -2.074 1.00 72.03 O ATOM 1539 CG2 THR A 97 8.004 -7.099 -3.836 1.00 5.12 C ATOM 0 H THR A 97 7.518 -10.989 -2.950 1.00 4.35 H new ATOM 0 HA THR A 97 6.242 -9.016 -4.594 1.00 32.11 H new ATOM 0 HB THR A 97 8.909 -8.900 -3.130 1.00 25.24 H new ATOM 0 HG1 THR A 97 6.893 -7.611 -1.855 1.00 72.03 H new ATOM 0 HG21 THR A 97 8.495 -6.468 -3.095 1.00 5.12 H new ATOM 0 HG22 THR A 97 8.586 -7.096 -4.758 1.00 5.12 H new ATOM 0 HG23 THR A 97 7.005 -6.713 -4.036 1.00 5.12 H new ATOM 1547 N LYS A 98 8.604 -10.720 -5.847 1.00 30.14 N ATOM 1548 CA LYS A 98 9.450 -10.940 -7.014 1.00 63.22 C ATOM 1549 C LYS A 98 8.609 -11.061 -8.282 1.00 53.35 C ATOM 1550 O LYS A 98 9.037 -10.655 -9.361 1.00 12.15 O ATOM 1551 CB LYS A 98 10.294 -12.203 -6.827 1.00 61.20 C ATOM 1552 CG LYS A 98 11.472 -12.294 -7.782 1.00 1.11 C ATOM 1553 CD LYS A 98 11.427 -13.574 -8.601 1.00 10.03 C ATOM 1554 CE LYS A 98 12.737 -13.809 -9.338 1.00 51.14 C ATOM 1555 NZ LYS A 98 12.511 -14.258 -10.740 1.00 72.55 N ATOM 0 H LYS A 98 8.459 -11.548 -5.270 1.00 30.14 H new ATOM 0 HA LYS A 98 10.112 -10.080 -7.119 1.00 63.22 H new ATOM 0 HB2 LYS A 98 10.664 -12.234 -5.802 1.00 61.20 H new ATOM 0 HB3 LYS A 98 9.658 -13.078 -6.963 1.00 61.20 H new ATOM 0 HG2 LYS A 98 11.468 -11.433 -8.450 1.00 1.11 H new ATOM 0 HG3 LYS A 98 12.404 -12.255 -7.217 1.00 1.11 H new ATOM 0 HD2 LYS A 98 11.220 -14.420 -7.945 1.00 10.03 H new ATOM 0 HD3 LYS A 98 10.609 -13.520 -9.319 1.00 10.03 H new ATOM 0 HE2 LYS A 98 13.322 -12.889 -9.341 1.00 51.14 H new ATOM 0 HE3 LYS A 98 13.323 -14.558 -8.807 1.00 51.14 H new ATOM 0 HZ1 LYS A 98 13.427 -14.407 -11.209 1.00 72.55 H new ATOM 0 HZ2 LYS A 98 11.974 -15.149 -10.737 1.00 72.55 H new ATOM 0 HZ3 LYS A 98 11.973 -13.532 -11.255 1.00 72.55 H new ATOM 1569 N GLU A 99 7.411 -11.621 -8.140 1.00 53.13 N ATOM 1570 CA GLU A 99 6.512 -11.794 -9.275 1.00 41.44 C ATOM 1571 C GLU A 99 5.878 -10.464 -9.674 1.00 61.02 C ATOM 1572 O GLU A 99 6.274 -9.848 -10.663 1.00 61.22 O ATOM 1573 CB GLU A 99 5.419 -12.810 -8.936 1.00 12.22 C ATOM 1574 CG GLU A 99 4.375 -12.967 -10.029 1.00 43.24 C ATOM 1575 CD GLU A 99 3.695 -14.323 -9.996 1.00 55.11 C ATOM 1576 OE1 GLU A 99 4.255 -15.282 -10.568 1.00 12.44 O ATOM 1577 OE2 GLU A 99 2.604 -14.424 -9.397 1.00 30.41 O ATOM 0 H GLU A 99 7.042 -11.962 -7.252 1.00 53.13 H new ATOM 0 HA GLU A 99 7.097 -12.166 -10.117 1.00 41.44 H new ATOM 0 HB2 GLU A 99 5.881 -13.778 -8.745 1.00 12.22 H new ATOM 0 HB3 GLU A 99 4.924 -12.505 -8.014 1.00 12.22 H new ATOM 0 HG2 GLU A 99 3.623 -12.185 -9.923 1.00 43.24 H new ATOM 0 HG3 GLU A 99 4.848 -12.825 -11.001 1.00 43.24 H new ATOM 1584 N ALA A 100 4.892 -10.028 -8.898 1.00 40.34 N ATOM 1585 CA ALA A 100 4.204 -8.772 -9.168 1.00 14.22 C ATOM 1586 C ALA A 100 5.181 -7.705 -9.652 1.00 63.23 C ATOM 1587 O ALA A 100 4.841 -6.876 -10.497 1.00 21.24 O ATOM 1588 CB ALA A 100 3.470 -8.292 -7.925 1.00 62.52 C ATOM 0 H ALA A 100 4.551 -10.527 -8.076 1.00 40.34 H new ATOM 0 HA ALA A 100 3.476 -8.949 -9.960 1.00 14.22 H new ATOM 0 HB1 ALA A 100 2.961 -7.353 -8.143 1.00 62.52 H new ATOM 0 HB2 ALA A 100 2.737 -9.040 -7.623 1.00 62.52 H new ATOM 0 HB3 ALA A 100 4.185 -8.138 -7.117 1.00 62.52 H new ATOM 1594 N LEU A 101 6.394 -7.731 -9.111 1.00 5.14 N ATOM 1595 CA LEU A 101 7.420 -6.764 -9.488 1.00 72.35 C ATOM 1596 C LEU A 101 7.918 -7.024 -10.905 1.00 35.32 C ATOM 1597 O LEU A 101 7.836 -6.154 -11.772 1.00 72.22 O ATOM 1598 CB LEU A 101 8.590 -6.825 -8.504 1.00 4.11 C ATOM 1599 CG LEU A 101 9.747 -5.864 -8.777 1.00 11.51 C ATOM 1600 CD1 LEU A 101 10.700 -6.452 -9.805 1.00 73.53 C ATOM 1601 CD2 LEU A 101 9.219 -4.515 -9.247 1.00 12.25 C ATOM 0 H LEU A 101 6.691 -8.410 -8.411 1.00 5.14 H new ATOM 0 HA LEU A 101 6.977 -5.769 -9.456 1.00 72.35 H new ATOM 0 HB2 LEU A 101 8.207 -6.626 -7.503 1.00 4.11 H new ATOM 0 HB3 LEU A 101 8.982 -7.842 -8.499 1.00 4.11 H new ATOM 0 HG LEU A 101 10.296 -5.714 -7.848 1.00 11.51 H new ATOM 0 HD11 LEU A 101 11.517 -5.753 -9.986 1.00 73.53 H new ATOM 0 HD12 LEU A 101 11.104 -7.393 -9.431 1.00 73.53 H new ATOM 0 HD13 LEU A 101 10.164 -6.632 -10.737 1.00 73.53 H new ATOM 0 HD21 LEU A 101 10.056 -3.843 -9.437 1.00 12.25 H new ATOM 0 HD22 LEU A 101 8.645 -4.648 -10.164 1.00 12.25 H new ATOM 0 HD23 LEU A 101 8.577 -4.087 -8.477 1.00 12.25 H new ATOM 1613 N ASP A 102 8.433 -8.228 -11.135 1.00 51.32 N ATOM 1614 CA ASP A 102 8.943 -8.604 -12.448 1.00 3.43 C ATOM 1615 C ASP A 102 7.861 -8.453 -13.513 1.00 33.41 C ATOM 1616 O ASP A 102 8.140 -8.056 -14.646 1.00 45.14 O ATOM 1617 CB ASP A 102 9.458 -10.044 -12.426 1.00 10.41 C ATOM 1618 CG ASP A 102 10.529 -10.291 -13.470 1.00 54.30 C ATOM 1619 OD1 ASP A 102 11.438 -9.445 -13.597 1.00 14.25 O ATOM 1620 OD2 ASP A 102 10.457 -11.330 -14.160 1.00 54.45 O ATOM 0 H ASP A 102 8.508 -8.960 -10.428 1.00 51.32 H new ATOM 0 HA ASP A 102 9.768 -7.936 -12.696 1.00 3.43 H new ATOM 0 HB2 ASP A 102 9.859 -10.268 -11.438 1.00 10.41 H new ATOM 0 HB3 ASP A 102 8.626 -10.727 -12.595 1.00 10.41 H new