USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=15 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 143:sc= 0.951 USER MOD Set 1.2: A 97 THR OG1 : rot 128:sc= 1.36 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0189) 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 : amide:sc= 0.81 K(o=0.81,f=-0.021) 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= 0.956 K(o=0.96,f=-4.9!) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00584 USER MOD Single : A 47 ASN : amide:sc= -0.0837 X(o=-0.084,f=-0.43) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.394 USER MOD Single : A 54 SER OG : rot 71:sc= -0.565 USER MOD Single : A 57 CYS SG : rot 59:sc= -2.63! USER MOD Single : A 59 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.23) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.969 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0805 USER MOD Single : A 77 SER OG : rot 45:sc= 0.756 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.941 USER MOD Single : A 80 ASN : amide:sc= -2.11 K(o=-2.1,f=-5.7!) USER MOD Single : A 81 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 85:sc= -0.0543 USER MOD Single : A 89 HIS : no HD1:sc= -0.0387 K(o=-0.039,f=-1.2) USER MOD Single : A 90 GLN : amide:sc= -0.856 K(o=-0.86,f=-5.6!) 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 -6.443 -4.739 4.081 1.00 41.23 N ATOM 139 CA LEU A 13 -5.114 -5.060 4.589 1.00 44.30 C ATOM 140 C LEU A 13 -4.865 -6.564 4.552 1.00 71.10 C ATOM 141 O LEU A 13 -3.758 -7.013 4.254 1.00 32.30 O ATOM 142 CB LEU A 13 -4.954 -4.540 6.019 1.00 43.23 C ATOM 143 CG LEU A 13 -3.710 -3.692 6.290 1.00 60.54 C ATOM 144 CD1 LEU A 13 -2.476 -4.349 5.691 1.00 22.42 C ATOM 145 CD2 LEU A 13 -3.891 -2.287 5.734 1.00 23.32 C ATOM 0 HA LEU A 13 -4.380 -4.573 3.947 1.00 44.30 H new ATOM 0 HB2 LEU A 13 -5.834 -3.948 6.270 1.00 43.23 H new ATOM 0 HB3 LEU A 13 -4.941 -5.394 6.696 1.00 43.23 H new ATOM 0 HG LEU A 13 -3.571 -3.619 7.369 1.00 60.54 H new ATOM 0 HD11 LEU A 13 -1.601 -3.732 5.894 1.00 22.42 H new ATOM 0 HD12 LEU A 13 -2.336 -5.334 6.136 1.00 22.42 H new ATOM 0 HD13 LEU A 13 -2.606 -4.452 4.614 1.00 22.42 H new ATOM 0 HD21 LEU A 13 -2.996 -1.698 5.936 1.00 23.32 H new ATOM 0 HD22 LEU A 13 -4.055 -2.340 4.658 1.00 23.32 H new ATOM 0 HD23 LEU A 13 -4.751 -1.815 6.210 1.00 23.32 H new ATOM 157 N ASP A 14 -5.902 -7.337 4.854 1.00 31.34 N ATOM 158 CA ASP A 14 -5.797 -8.792 4.853 1.00 55.14 C ATOM 159 C ASP A 14 -5.154 -9.289 3.562 1.00 50.22 C ATOM 160 O ASP A 14 -4.473 -10.315 3.549 1.00 11.54 O ATOM 161 CB ASP A 14 -7.180 -9.424 5.024 1.00 24.14 C ATOM 162 CG ASP A 14 -7.224 -10.416 6.170 1.00 31.00 C ATOM 163 OD1 ASP A 14 -7.333 -9.975 7.333 1.00 14.14 O ATOM 164 OD2 ASP A 14 -7.151 -11.634 5.903 1.00 4.42 O ATOM 0 H ASP A 14 -6.825 -6.981 5.103 1.00 31.34 H new ATOM 0 HA ASP A 14 -5.165 -9.087 5.690 1.00 55.14 H new ATOM 0 HB2 ASP A 14 -7.916 -8.639 5.198 1.00 24.14 H new ATOM 0 HB3 ASP A 14 -7.463 -9.928 4.100 1.00 24.14 H new ATOM 169 N LYS A 15 -5.375 -8.555 2.476 1.00 31.51 N ATOM 170 CA LYS A 15 -4.817 -8.920 1.179 1.00 35.22 C ATOM 171 C LYS A 15 -3.376 -8.439 1.052 1.00 3.20 C ATOM 172 O LYS A 15 -2.534 -9.119 0.465 1.00 11.02 O ATOM 173 CB LYS A 15 -5.666 -8.328 0.051 1.00 5.35 C ATOM 174 CG LYS A 15 -6.335 -9.375 -0.821 1.00 34.44 C ATOM 175 CD LYS A 15 -7.841 -9.392 -0.616 1.00 1.04 C ATOM 176 CE LYS A 15 -8.225 -10.167 0.636 1.00 65.25 C ATOM 177 NZ LYS A 15 -9.567 -9.770 1.144 1.00 25.14 N ATOM 0 H LYS A 15 -5.937 -7.704 2.469 1.00 31.51 H new ATOM 0 HA LYS A 15 -4.826 -10.007 1.100 1.00 35.22 H new ATOM 0 HB2 LYS A 15 -6.432 -7.685 0.484 1.00 5.35 H new ATOM 0 HB3 LYS A 15 -5.035 -7.696 -0.574 1.00 5.35 H new ATOM 0 HG2 LYS A 15 -6.112 -9.174 -1.869 1.00 34.44 H new ATOM 0 HG3 LYS A 15 -5.924 -10.358 -0.591 1.00 34.44 H new ATOM 0 HD2 LYS A 15 -8.210 -8.369 -0.540 1.00 1.04 H new ATOM 0 HD3 LYS A 15 -8.322 -9.841 -1.485 1.00 1.04 H new ATOM 0 HE2 LYS A 15 -8.221 -11.235 0.418 1.00 65.25 H new ATOM 0 HE3 LYS A 15 -7.478 -9.997 1.412 1.00 65.25 H new ATOM 0 HZ1 LYS A 15 -9.792 -10.320 1.997 1.00 25.14 H new ATOM 0 HZ2 LYS A 15 -9.564 -8.756 1.376 1.00 25.14 H new ATOM 0 HZ3 LYS A 15 -10.284 -9.956 0.414 1.00 25.14 H new ATOM 191 N TRP A 16 -3.098 -7.264 1.606 1.00 32.22 N ATOM 192 CA TRP A 16 -1.757 -6.693 1.556 1.00 70.25 C ATOM 193 C TRP A 16 -0.777 -7.534 2.366 1.00 45.03 C ATOM 194 O TRP A 16 0.368 -7.732 1.958 1.00 35.54 O ATOM 195 CB TRP A 16 -1.772 -5.257 2.081 1.00 42.10 C ATOM 196 CG TRP A 16 -0.402 -4.677 2.265 1.00 61.44 C ATOM 197 CD1 TRP A 16 0.296 -4.579 3.434 1.00 24.12 C ATOM 198 CD2 TRP A 16 0.434 -4.115 1.247 1.00 1.14 C ATOM 199 NE1 TRP A 16 1.516 -3.989 3.205 1.00 21.23 N ATOM 200 CE2 TRP A 16 1.625 -3.696 1.872 1.00 43.22 C ATOM 201 CE3 TRP A 16 0.293 -3.926 -0.130 1.00 23.30 C ATOM 202 CZ2 TRP A 16 2.666 -3.099 1.165 1.00 71.53 C ATOM 203 CZ3 TRP A 16 1.327 -3.334 -0.830 1.00 51.02 C ATOM 204 CH2 TRP A 16 2.501 -2.927 -0.183 1.00 1.03 C ATOM 0 H TRP A 16 -3.783 -6.688 2.095 1.00 32.22 H new ATOM 0 HA TRP A 16 -1.429 -6.688 0.516 1.00 70.25 H new ATOM 0 HB2 TRP A 16 -2.334 -4.630 1.388 1.00 42.10 H new ATOM 0 HB3 TRP A 16 -2.300 -5.232 3.034 1.00 42.10 H new ATOM 0 HD1 TRP A 16 -0.058 -4.916 4.397 1.00 24.12 H new ATOM 0 HE1 TRP A 16 2.225 -3.800 3.913 1.00 21.23 H new ATOM 0 HE3 TRP A 16 -0.608 -4.237 -0.638 1.00 23.30 H new ATOM 0 HZ2 TRP A 16 3.571 -2.783 1.663 1.00 71.53 H new ATOM 0 HZ3 TRP A 16 1.228 -3.182 -1.895 1.00 51.02 H new ATOM 0 HH2 TRP A 16 3.291 -2.469 -0.759 1.00 1.03 H new ATOM 215 N GLU A 17 -1.233 -8.025 3.514 1.00 65.33 N ATOM 216 CA GLU A 17 -0.393 -8.844 4.380 1.00 32.42 C ATOM 217 C GLU A 17 -0.310 -10.277 3.861 1.00 42.11 C ATOM 218 O GLU A 17 0.380 -11.119 4.436 1.00 44.02 O ATOM 219 CB GLU A 17 -0.940 -8.839 5.809 1.00 24.55 C ATOM 220 CG GLU A 17 -0.747 -7.516 6.530 1.00 4.13 C ATOM 221 CD GLU A 17 -1.371 -7.508 7.912 1.00 1.32 C ATOM 222 OE1 GLU A 17 -1.270 -8.534 8.616 1.00 63.33 O ATOM 223 OE2 GLU A 17 -1.961 -6.474 8.290 1.00 44.41 O ATOM 0 H GLU A 17 -2.178 -7.870 3.866 1.00 65.33 H new ATOM 0 HA GLU A 17 0.610 -8.417 4.380 1.00 32.42 H new ATOM 0 HB2 GLU A 17 -2.003 -9.077 5.783 1.00 24.55 H new ATOM 0 HB3 GLU A 17 -0.451 -9.629 6.379 1.00 24.55 H new ATOM 0 HG2 GLU A 17 0.319 -7.305 6.616 1.00 4.13 H new ATOM 0 HG3 GLU A 17 -1.183 -6.715 5.934 1.00 4.13 H new ATOM 230 N LYS A 18 -1.018 -10.547 2.770 1.00 54.42 N ATOM 231 CA LYS A 18 -1.026 -11.876 2.171 1.00 44.24 C ATOM 232 C LYS A 18 0.105 -12.022 1.157 1.00 53.32 C ATOM 233 O LYS A 18 0.498 -13.135 0.809 1.00 65.34 O ATOM 234 CB LYS A 18 -2.371 -12.145 1.493 1.00 41.13 C ATOM 235 CG LYS A 18 -2.700 -13.622 1.360 1.00 55.42 C ATOM 236 CD LYS A 18 -2.286 -14.166 0.003 1.00 53.52 C ATOM 237 CE LYS A 18 -3.281 -15.194 -0.512 1.00 61.45 C ATOM 238 NZ LYS A 18 -3.379 -16.373 0.393 1.00 41.14 N ATOM 0 H LYS A 18 -1.595 -9.862 2.282 1.00 54.42 H new ATOM 0 HA LYS A 18 -0.875 -12.606 2.966 1.00 44.24 H new ATOM 0 HB2 LYS A 18 -3.160 -11.655 2.063 1.00 41.13 H new ATOM 0 HB3 LYS A 18 -2.366 -11.692 0.502 1.00 41.13 H new ATOM 0 HG2 LYS A 18 -2.193 -14.181 2.147 1.00 55.42 H new ATOM 0 HG3 LYS A 18 -3.770 -13.771 1.502 1.00 55.42 H new ATOM 0 HD2 LYS A 18 -2.207 -13.346 -0.710 1.00 53.52 H new ATOM 0 HD3 LYS A 18 -1.298 -14.620 0.078 1.00 53.52 H new ATOM 0 HE2 LYS A 18 -4.263 -14.731 -0.613 1.00 61.45 H new ATOM 0 HE3 LYS A 18 -2.981 -15.524 -1.507 1.00 61.45 H new ATOM 0 HZ1 LYS A 18 -3.975 -17.102 -0.049 1.00 41.14 H new ATOM 0 HZ2 LYS A 18 -2.429 -16.759 0.564 1.00 41.14 H new ATOM 0 HZ3 LYS A 18 -3.802 -16.082 1.297 1.00 41.14 H new ATOM 252 N ILE A 19 0.623 -10.891 0.688 1.00 32.44 N ATOM 253 CA ILE A 19 1.709 -10.895 -0.283 1.00 44.31 C ATOM 254 C ILE A 19 3.056 -11.112 0.399 1.00 71.11 C ATOM 255 O ILE A 19 3.378 -10.449 1.385 1.00 42.23 O ATOM 256 CB ILE A 19 1.757 -9.577 -1.079 1.00 72.12 C ATOM 257 CG1 ILE A 19 0.437 -9.357 -1.822 1.00 3.11 C ATOM 258 CG2 ILE A 19 2.924 -9.589 -2.055 1.00 22.44 C ATOM 259 CD1 ILE A 19 -0.362 -8.184 -1.299 1.00 31.13 C ATOM 0 H ILE A 19 0.308 -9.961 0.965 1.00 32.44 H new ATOM 0 HA ILE A 19 1.515 -11.719 -0.970 1.00 44.31 H new ATOM 0 HB ILE A 19 1.902 -8.753 -0.380 1.00 72.12 H new ATOM 0 HG12 ILE A 19 0.647 -9.201 -2.880 1.00 3.11 H new ATOM 0 HG13 ILE A 19 -0.168 -10.261 -1.747 1.00 3.11 H new ATOM 0 HG21 ILE A 19 2.944 -8.651 -2.610 1.00 22.44 H new ATOM 0 HG22 ILE A 19 3.858 -9.705 -1.504 1.00 22.44 H new ATOM 0 HG23 ILE A 19 2.808 -10.420 -2.751 1.00 22.44 H new ATOM 0 HD11 ILE A 19 -1.284 -8.088 -1.872 1.00 31.13 H new ATOM 0 HD12 ILE A 19 -0.603 -8.347 -0.248 1.00 31.13 H new ATOM 0 HD13 ILE A 19 0.224 -7.271 -1.399 1.00 31.13 H new ATOM 271 N ARG A 20 3.839 -12.044 -0.134 1.00 21.42 N ATOM 272 CA ARG A 20 5.152 -12.349 0.423 1.00 74.00 C ATOM 273 C ARG A 20 6.165 -11.272 0.048 1.00 53.52 C ATOM 274 O ARG A 20 5.895 -10.418 -0.799 1.00 20.33 O ATOM 275 CB ARG A 20 5.635 -13.713 -0.072 1.00 60.33 C ATOM 276 CG ARG A 20 5.027 -14.885 0.681 1.00 25.14 C ATOM 277 CD ARG A 20 4.303 -15.837 -0.258 1.00 44.31 C ATOM 278 NE ARG A 20 3.605 -16.895 0.466 1.00 24.42 N ATOM 279 CZ ARG A 20 4.209 -17.974 0.952 1.00 32.34 C ATOM 280 NH1 ARG A 20 5.515 -18.136 0.793 1.00 41.10 N ATOM 281 NH2 ARG A 20 3.505 -18.894 1.600 1.00 23.14 N ATOM 0 H ARG A 20 3.587 -12.601 -0.951 1.00 21.42 H new ATOM 0 HA ARG A 20 5.061 -12.376 1.509 1.00 74.00 H new ATOM 0 HB2 ARG A 20 5.398 -13.810 -1.131 1.00 60.33 H new ATOM 0 HB3 ARG A 20 6.720 -13.759 0.017 1.00 60.33 H new ATOM 0 HG2 ARG A 20 5.812 -15.423 1.212 1.00 25.14 H new ATOM 0 HG3 ARG A 20 4.330 -14.514 1.432 1.00 25.14 H new ATOM 0 HD2 ARG A 20 3.588 -15.277 -0.861 1.00 44.31 H new ATOM 0 HD3 ARG A 20 5.021 -16.282 -0.947 1.00 44.31 H new ATOM 0 HE ARG A 20 2.599 -16.801 0.606 1.00 24.42 H new ATOM 0 HH11 ARG A 20 6.060 -17.431 0.296 1.00 41.10 H new ATOM 0 HH12 ARG A 20 5.975 -18.966 1.167 1.00 41.10 H new ATOM 0 HH21 ARG A 20 2.500 -18.773 1.725 1.00 23.14 H new ATOM 0 HH22 ARG A 20 3.969 -19.722 1.973 1.00 23.14 H new ATOM 295 N LEU A 21 7.331 -11.316 0.683 1.00 35.21 N ATOM 296 CA LEU A 21 8.385 -10.344 0.417 1.00 52.42 C ATOM 297 C LEU A 21 9.434 -10.922 -0.527 1.00 74.34 C ATOM 298 O LEU A 21 9.817 -10.287 -1.510 1.00 11.12 O ATOM 299 CB LEU A 21 9.046 -9.907 1.725 1.00 35.15 C ATOM 300 CG LEU A 21 8.118 -9.287 2.771 1.00 22.35 C ATOM 301 CD1 LEU A 21 8.920 -8.768 3.955 1.00 71.21 C ATOM 302 CD2 LEU A 21 7.290 -8.170 2.155 1.00 50.34 C ATOM 0 H LEU A 21 7.570 -12.015 1.386 1.00 35.21 H new ATOM 0 HA LEU A 21 7.931 -9.476 -0.061 1.00 52.42 H new ATOM 0 HB2 LEU A 21 9.534 -10.774 2.170 1.00 35.15 H new ATOM 0 HB3 LEU A 21 9.829 -9.186 1.490 1.00 35.15 H new ATOM 0 HG LEU A 21 7.438 -10.060 3.129 1.00 22.35 H new ATOM 0 HD11 LEU A 21 8.243 -8.330 4.689 1.00 71.21 H new ATOM 0 HD12 LEU A 21 9.468 -9.592 4.412 1.00 71.21 H new ATOM 0 HD13 LEU A 21 9.624 -8.009 3.613 1.00 71.21 H new ATOM 0 HD21 LEU A 21 6.636 -7.741 2.914 1.00 50.34 H new ATOM 0 HD22 LEU A 21 7.953 -7.396 1.768 1.00 50.34 H new ATOM 0 HD23 LEU A 21 6.687 -8.571 1.341 1.00 50.34 H new ATOM 314 N ARG A 22 9.892 -12.132 -0.224 1.00 23.20 N ATOM 315 CA ARG A 22 10.896 -12.797 -1.046 1.00 70.22 C ATOM 316 C ARG A 22 10.262 -13.893 -1.897 1.00 61.54 C ATOM 317 O ARG A 22 9.131 -14.319 -1.663 1.00 71.33 O ATOM 318 CB ARG A 22 11.995 -13.393 -0.165 1.00 2.35 C ATOM 319 CG ARG A 22 13.273 -12.569 -0.144 1.00 73.33 C ATOM 320 CD ARG A 22 13.713 -12.259 1.278 1.00 51.12 C ATOM 321 NE ARG A 22 14.517 -11.042 1.348 1.00 23.05 N ATOM 322 CZ ARG A 22 15.260 -10.712 2.399 1.00 12.23 C ATOM 323 NH1 ARG A 22 15.300 -11.504 3.462 1.00 41.12 N ATOM 324 NH2 ARG A 22 15.964 -9.588 2.388 1.00 4.54 N ATOM 0 H ARG A 22 9.584 -12.672 0.585 1.00 23.20 H new ATOM 0 HA ARG A 22 11.336 -12.053 -1.710 1.00 70.22 H new ATOM 0 HB2 ARG A 22 11.619 -13.491 0.853 1.00 2.35 H new ATOM 0 HB3 ARG A 22 12.226 -14.398 -0.518 1.00 2.35 H new ATOM 0 HG2 ARG A 22 14.065 -13.111 -0.661 1.00 73.33 H new ATOM 0 HG3 ARG A 22 13.116 -11.638 -0.688 1.00 73.33 H new ATOM 0 HD2 ARG A 22 12.834 -12.150 1.914 1.00 51.12 H new ATOM 0 HD3 ARG A 22 14.289 -13.097 1.670 1.00 51.12 H new ATOM 0 HE ARG A 22 14.508 -10.411 0.547 1.00 23.05 H new ATOM 0 HH11 ARG A 22 14.760 -12.369 3.474 1.00 41.12 H new ATOM 0 HH12 ARG A 22 15.871 -11.248 4.267 1.00 41.12 H new ATOM 0 HH21 ARG A 22 15.935 -8.976 1.572 1.00 4.54 H new ATOM 0 HH22 ARG A 22 16.534 -9.335 3.195 1.00 4.54 H new ATOM 338 N PRO A 23 11.007 -14.362 -2.910 1.00 13.20 N ATOM 339 CA PRO A 23 10.538 -15.414 -3.817 1.00 21.15 C ATOM 340 C PRO A 23 10.443 -16.772 -3.129 1.00 5.11 C ATOM 341 O PRO A 23 9.402 -17.425 -3.164 1.00 34.01 O ATOM 342 CB PRO A 23 11.608 -15.442 -4.911 1.00 22.33 C ATOM 343 CG PRO A 23 12.836 -14.914 -4.253 1.00 41.53 C ATOM 344 CD PRO A 23 12.364 -13.900 -3.248 1.00 33.35 C ATOM 0 HA PRO A 23 9.534 -15.213 -4.190 1.00 21.15 H new ATOM 0 HB2 PRO A 23 11.764 -16.453 -5.287 1.00 22.33 H new ATOM 0 HB3 PRO A 23 11.319 -14.826 -5.763 1.00 22.33 H new ATOM 0 HG2 PRO A 23 13.393 -15.715 -3.767 1.00 41.53 H new ATOM 0 HG3 PRO A 23 13.505 -14.458 -4.983 1.00 41.53 H new ATOM 0 HD2 PRO A 23 13.010 -13.873 -2.370 1.00 33.35 H new ATOM 0 HD3 PRO A 23 12.353 -12.894 -3.667 1.00 33.35 H new ATOM 352 N GLY A 24 11.539 -17.191 -2.503 1.00 63.01 N ATOM 353 CA GLY A 24 11.558 -18.469 -1.816 1.00 21.02 C ATOM 354 C GLY A 24 11.525 -18.317 -0.308 1.00 12.00 C ATOM 355 O GLY A 24 11.980 -19.196 0.422 1.00 61.52 O ATOM 0 H GLY A 24 12.414 -16.668 -2.460 1.00 63.01 H new ATOM 0 HA2 GLY A 24 10.703 -19.063 -2.137 1.00 21.02 H new ATOM 0 HA3 GLY A 24 12.454 -19.019 -2.103 1.00 21.02 H new ATOM 359 N GLY A 25 10.985 -17.196 0.161 1.00 41.34 N ATOM 360 CA GLY A 25 10.906 -16.951 1.589 1.00 60.01 C ATOM 361 C GLY A 25 9.512 -17.178 2.140 1.00 62.12 C ATOM 362 O GLY A 25 8.657 -17.756 1.468 1.00 2.22 O ATOM 0 H GLY A 25 10.601 -16.453 -0.423 1.00 41.34 H new ATOM 0 HA2 GLY A 25 11.609 -17.605 2.106 1.00 60.01 H new ATOM 0 HA3 GLY A 25 11.213 -15.926 1.796 1.00 60.01 H new ATOM 366 N LYS A 26 9.282 -16.724 3.367 1.00 34.10 N ATOM 367 CA LYS A 26 7.982 -16.880 4.010 1.00 62.44 C ATOM 368 C LYS A 26 7.518 -15.564 4.625 1.00 74.30 C ATOM 369 O LYS A 26 6.480 -15.508 5.285 1.00 0.44 O ATOM 370 CB LYS A 26 8.051 -17.964 5.088 1.00 14.12 C ATOM 371 CG LYS A 26 6.735 -18.691 5.304 1.00 33.12 C ATOM 372 CD LYS A 26 6.809 -20.132 4.826 1.00 13.44 C ATOM 373 CE LYS A 26 7.656 -20.985 5.758 1.00 34.00 C ATOM 374 NZ LYS A 26 6.838 -22.001 6.476 1.00 34.32 N ATOM 0 H LYS A 26 9.979 -16.245 3.937 1.00 34.10 H new ATOM 0 HA LYS A 26 7.261 -17.178 3.249 1.00 62.44 H new ATOM 0 HB2 LYS A 26 8.817 -18.690 4.813 1.00 14.12 H new ATOM 0 HB3 LYS A 26 8.365 -17.510 6.028 1.00 14.12 H new ATOM 0 HG2 LYS A 26 6.477 -18.671 6.363 1.00 33.12 H new ATOM 0 HG3 LYS A 26 5.939 -18.170 4.772 1.00 33.12 H new ATOM 0 HD2 LYS A 26 5.803 -20.548 4.764 1.00 13.44 H new ATOM 0 HD3 LYS A 26 7.229 -20.162 3.821 1.00 13.44 H new ATOM 0 HE2 LYS A 26 8.435 -21.486 5.184 1.00 34.00 H new ATOM 0 HE3 LYS A 26 8.157 -20.343 6.483 1.00 34.00 H new ATOM 0 HZ1 LYS A 26 7.451 -22.562 7.101 1.00 34.32 H new ATOM 0 HZ2 LYS A 26 6.110 -21.522 7.044 1.00 34.32 H new ATOM 0 HZ3 LYS A 26 6.380 -22.629 5.785 1.00 34.32 H new ATOM 388 N LYS A 27 8.291 -14.507 4.403 1.00 23.12 N ATOM 389 CA LYS A 27 7.958 -13.190 4.933 1.00 24.11 C ATOM 390 C LYS A 27 6.807 -12.564 4.152 1.00 64.31 C ATOM 391 O LYS A 27 6.679 -12.772 2.946 1.00 65.32 O ATOM 392 CB LYS A 27 9.182 -12.273 4.881 1.00 2.34 C ATOM 393 CG LYS A 27 10.396 -12.837 5.599 1.00 1.11 C ATOM 394 CD LYS A 27 10.791 -11.977 6.788 1.00 14.01 C ATOM 395 CE LYS A 27 12.045 -12.505 7.466 1.00 23.43 C ATOM 396 NZ LYS A 27 13.275 -11.837 6.957 1.00 54.11 N ATOM 0 H LYS A 27 9.153 -14.536 3.859 1.00 23.12 H new ATOM 0 HA LYS A 27 7.646 -13.311 5.970 1.00 24.11 H new ATOM 0 HB2 LYS A 27 9.441 -12.086 3.839 1.00 2.34 H new ATOM 0 HB3 LYS A 27 8.924 -11.311 5.323 1.00 2.34 H new ATOM 0 HG2 LYS A 27 10.181 -13.851 5.938 1.00 1.11 H new ATOM 0 HG3 LYS A 27 11.233 -12.904 4.903 1.00 1.11 H new ATOM 0 HD2 LYS A 27 10.959 -10.952 6.457 1.00 14.01 H new ATOM 0 HD3 LYS A 27 9.972 -11.950 7.507 1.00 14.01 H new ATOM 0 HE2 LYS A 27 11.968 -12.352 8.542 1.00 23.43 H new ATOM 0 HE3 LYS A 27 12.121 -13.580 7.302 1.00 23.43 H new ATOM 0 HZ1 LYS A 27 14.108 -12.225 7.444 1.00 54.11 H new ATOM 0 HZ2 LYS A 27 13.363 -12.004 5.934 1.00 54.11 H new ATOM 0 HZ3 LYS A 27 13.214 -10.814 7.136 1.00 54.11 H new ATOM 410 N GLN A 28 5.974 -11.797 4.847 1.00 4.14 N ATOM 411 CA GLN A 28 4.835 -11.141 4.217 1.00 10.43 C ATOM 412 C GLN A 28 4.983 -9.624 4.270 1.00 41.42 C ATOM 413 O GLN A 28 5.996 -9.105 4.739 1.00 45.35 O ATOM 414 CB GLN A 28 3.534 -11.562 4.903 1.00 51.15 C ATOM 415 CG GLN A 28 3.442 -13.056 5.167 1.00 73.10 C ATOM 416 CD GLN A 28 3.701 -13.409 6.618 1.00 11.13 C ATOM 417 OE1 GLN A 28 2.844 -13.212 7.480 1.00 55.41 O ATOM 418 NE2 GLN A 28 4.888 -13.935 6.897 1.00 0.52 N ATOM 0 H GLN A 28 6.066 -11.615 5.846 1.00 4.14 H new ATOM 0 HA GLN A 28 4.803 -11.449 3.172 1.00 10.43 H new ATOM 0 HB2 GLN A 28 3.442 -11.028 5.849 1.00 51.15 H new ATOM 0 HB3 GLN A 28 2.691 -11.258 4.282 1.00 51.15 H new ATOM 0 HG2 GLN A 28 2.452 -13.411 4.882 1.00 73.10 H new ATOM 0 HG3 GLN A 28 4.162 -13.578 4.536 1.00 73.10 H new ATOM 0 HE21 GLN A 28 5.569 -14.081 6.152 1.00 0.52 H new ATOM 0 HE22 GLN A 28 5.119 -14.193 7.857 1.00 0.52 H new ATOM 427 N TYR A 29 3.967 -8.918 3.786 1.00 61.12 N ATOM 428 CA TYR A 29 3.985 -7.460 3.775 1.00 65.11 C ATOM 429 C TYR A 29 3.256 -6.897 4.991 1.00 24.11 C ATOM 430 O TYR A 29 2.275 -7.471 5.463 1.00 71.41 O ATOM 431 CB TYR A 29 3.344 -6.931 2.491 1.00 13.44 C ATOM 432 CG TYR A 29 4.338 -6.657 1.386 1.00 40.33 C ATOM 433 CD1 TYR A 29 5.102 -5.496 1.384 1.00 63.21 C ATOM 434 CD2 TYR A 29 4.513 -7.558 0.342 1.00 14.55 C ATOM 435 CE1 TYR A 29 6.011 -5.241 0.376 1.00 65.35 C ATOM 436 CE2 TYR A 29 5.420 -7.312 -0.669 1.00 45.52 C ATOM 437 CZ TYR A 29 6.167 -6.152 -0.648 1.00 63.15 C ATOM 438 OH TYR A 29 7.072 -5.903 -1.655 1.00 53.22 O ATOM 0 H TYR A 29 3.120 -9.332 3.396 1.00 61.12 H new ATOM 0 HA TYR A 29 5.024 -7.134 3.815 1.00 65.11 H new ATOM 0 HB2 TYR A 29 2.610 -7.655 2.137 1.00 13.44 H new ATOM 0 HB3 TYR A 29 2.803 -6.012 2.717 1.00 13.44 H new ATOM 0 HD1 TYR A 29 4.983 -4.781 2.185 1.00 63.21 H new ATOM 0 HD2 TYR A 29 3.929 -8.466 0.322 1.00 14.55 H new ATOM 0 HE1 TYR A 29 6.596 -4.333 0.389 1.00 65.35 H new ATOM 0 HE2 TYR A 29 5.544 -8.023 -1.472 1.00 45.52 H new ATOM 0 HH TYR A 29 7.498 -6.743 -1.927 1.00 53.22 H new ATOM 448 N LYS A 30 3.744 -5.768 5.494 1.00 14.12 N ATOM 449 CA LYS A 30 3.140 -5.123 6.654 1.00 34.32 C ATOM 450 C LYS A 30 2.915 -3.637 6.395 1.00 12.00 C ATOM 451 O LYS A 30 3.590 -3.033 5.561 1.00 50.24 O ATOM 452 CB LYS A 30 4.028 -5.308 7.886 1.00 20.35 C ATOM 453 CG LYS A 30 3.592 -6.453 8.784 1.00 22.31 C ATOM 454 CD LYS A 30 4.515 -7.652 8.646 1.00 23.44 C ATOM 455 CE LYS A 30 4.244 -8.692 9.723 1.00 15.32 C ATOM 456 NZ LYS A 30 5.482 -9.417 10.120 1.00 44.53 N ATOM 0 H LYS A 30 4.556 -5.281 5.116 1.00 14.12 H new ATOM 0 HA LYS A 30 2.173 -5.592 6.837 1.00 34.32 H new ATOM 0 HB2 LYS A 30 5.054 -5.482 7.561 1.00 20.35 H new ATOM 0 HB3 LYS A 30 4.030 -4.384 8.464 1.00 20.35 H new ATOM 0 HG2 LYS A 30 3.581 -6.119 9.821 1.00 22.31 H new ATOM 0 HG3 LYS A 30 2.573 -6.746 8.532 1.00 22.31 H new ATOM 0 HD2 LYS A 30 4.383 -8.103 7.662 1.00 23.44 H new ATOM 0 HD3 LYS A 30 5.552 -7.323 8.709 1.00 23.44 H new ATOM 0 HE2 LYS A 30 3.813 -8.205 10.597 1.00 15.32 H new ATOM 0 HE3 LYS A 30 3.506 -9.407 9.360 1.00 15.32 H new ATOM 0 HZ1 LYS A 30 5.254 -10.116 10.855 1.00 44.53 H new ATOM 0 HZ2 LYS A 30 5.880 -9.903 9.291 1.00 44.53 H new ATOM 0 HZ3 LYS A 30 6.178 -8.739 10.491 1.00 44.53 H new ATOM 470 N LEU A 31 1.964 -3.053 7.116 1.00 52.25 N ATOM 471 CA LEU A 31 1.651 -1.636 6.965 1.00 41.14 C ATOM 472 C LEU A 31 2.925 -0.808 6.833 1.00 64.12 C ATOM 473 O LEU A 31 3.022 0.071 5.977 1.00 51.35 O ATOM 474 CB LEU A 31 0.831 -1.144 8.159 1.00 62.42 C ATOM 475 CG LEU A 31 -0.286 -0.150 7.842 1.00 11.30 C ATOM 476 CD1 LEU A 31 0.280 1.095 7.177 1.00 2.20 C ATOM 477 CD2 LEU A 31 -1.341 -0.797 6.956 1.00 1.24 C ATOM 0 H LEU A 31 1.396 -3.539 7.811 1.00 52.25 H new ATOM 0 HA LEU A 31 1.064 -1.514 6.054 1.00 41.14 H new ATOM 0 HB2 LEU A 31 0.390 -2.010 8.653 1.00 62.42 H new ATOM 0 HB3 LEU A 31 1.510 -0.681 8.874 1.00 62.42 H new ATOM 0 HG LEU A 31 -0.759 0.146 8.778 1.00 11.30 H new ATOM 0 HD11 LEU A 31 -0.530 1.791 6.959 1.00 2.20 H new ATOM 0 HD12 LEU A 31 0.997 1.571 7.846 1.00 2.20 H new ATOM 0 HD13 LEU A 31 0.779 0.817 6.249 1.00 2.20 H new ATOM 0 HD21 LEU A 31 -2.128 -0.074 6.741 1.00 1.24 H new ATOM 0 HD22 LEU A 31 -0.882 -1.123 6.022 1.00 1.24 H new ATOM 0 HD23 LEU A 31 -1.769 -1.658 7.469 1.00 1.24 H new ATOM 489 N LYS A 32 3.903 -1.096 7.685 1.00 31.44 N ATOM 490 CA LYS A 32 5.174 -0.382 7.663 1.00 13.03 C ATOM 491 C LYS A 32 5.594 -0.064 6.232 1.00 64.31 C ATOM 492 O LYS A 32 6.076 1.032 5.945 1.00 64.14 O ATOM 493 CB LYS A 32 6.260 -1.210 8.354 1.00 51.05 C ATOM 494 CG LYS A 32 6.576 -0.744 9.764 1.00 14.13 C ATOM 495 CD LYS A 32 8.065 -0.508 9.953 1.00 14.44 C ATOM 496 CE LYS A 32 8.779 -1.776 10.393 1.00 31.34 C ATOM 497 NZ LYS A 32 10.123 -1.902 9.765 1.00 21.41 N ATOM 0 H LYS A 32 3.839 -1.820 8.400 1.00 31.44 H new ATOM 0 HA LYS A 32 5.045 0.557 8.202 1.00 13.03 H new ATOM 0 HB2 LYS A 32 5.944 -2.253 8.387 1.00 51.05 H new ATOM 0 HB3 LYS A 32 7.170 -1.172 7.755 1.00 51.05 H new ATOM 0 HG2 LYS A 32 6.031 0.176 9.975 1.00 14.13 H new ATOM 0 HG3 LYS A 32 6.231 -1.490 10.480 1.00 14.13 H new ATOM 0 HD2 LYS A 32 8.499 -0.150 9.019 1.00 14.44 H new ATOM 0 HD3 LYS A 32 8.219 0.274 10.696 1.00 14.44 H new ATOM 0 HE2 LYS A 32 8.884 -1.776 11.478 1.00 31.34 H new ATOM 0 HE3 LYS A 32 8.173 -2.643 10.131 1.00 31.34 H new ATOM 0 HZ1 LYS A 32 10.577 -2.779 10.090 1.00 21.41 H new ATOM 0 HZ2 LYS A 32 10.022 -1.928 8.730 1.00 21.41 H new ATOM 0 HZ3 LYS A 32 10.710 -1.087 10.035 1.00 21.41 H new ATOM 511 N HIS A 33 5.408 -1.029 5.337 1.00 31.40 N ATOM 512 CA HIS A 33 5.766 -0.852 3.934 1.00 43.22 C ATOM 513 C HIS A 33 4.804 0.113 3.246 1.00 21.14 C ATOM 514 O HIS A 33 5.296 1.002 2.551 1.00 70.24 O ATOM 515 CB HIS A 33 5.760 -2.198 3.209 1.00 24.32 C ATOM 516 CG HIS A 33 6.649 -3.224 3.844 1.00 13.23 C ATOM 517 ND1 HIS A 33 6.167 -4.360 4.459 1.00 71.12 N ATOM 518 CD2 HIS A 33 7.996 -3.280 3.957 1.00 3.12 C ATOM 519 CE1 HIS A 33 7.180 -5.070 4.923 1.00 72.03 C ATOM 520 NE2 HIS A 33 8.301 -4.436 4.630 1.00 24.45 N ATOM 0 H HIS A 33 5.011 -1.942 5.559 1.00 31.40 H new ATOM 0 HA HIS A 33 6.770 -0.430 3.892 1.00 43.22 H new ATOM 0 HB2 HIS A 33 4.740 -2.581 3.180 1.00 24.32 H new ATOM 0 HB3 HIS A 33 6.074 -2.047 2.176 1.00 24.32 H new ATOM 0 HD2 HIS A 33 8.700 -2.550 3.586 1.00 3.12 H new ATOM 0 HE1 HIS A 33 7.104 -6.009 5.452 1.00 72.03 H new ATOM 0 HE2 HIS A 33 9.241 -4.754 4.866 1.00 24.45 H new ATOM 528 N ILE A 34 3.494 -0.033 3.416 1.00 43.32 N ATOM 529 CA ILE A 34 2.538 0.865 2.780 1.00 31.11 C ATOM 530 C ILE A 34 2.883 2.324 3.061 1.00 74.42 C ATOM 531 O ILE A 34 2.744 3.184 2.191 1.00 13.14 O ATOM 532 CB ILE A 34 1.101 0.587 3.259 1.00 12.34 C ATOM 533 CG1 ILE A 34 0.656 -0.810 2.823 1.00 35.14 C ATOM 534 CG2 ILE A 34 0.149 1.645 2.720 1.00 21.31 C ATOM 535 CD1 ILE A 34 -0.734 -1.177 3.296 1.00 3.45 C ATOM 0 H ILE A 34 3.071 -0.764 3.988 1.00 43.32 H new ATOM 0 HA ILE A 34 2.597 0.681 1.707 1.00 31.11 H new ATOM 0 HB ILE A 34 1.082 0.630 4.348 1.00 12.34 H new ATOM 0 HG12 ILE A 34 0.688 -0.870 1.735 1.00 35.14 H new ATOM 0 HG13 ILE A 34 1.366 -1.544 3.204 1.00 35.14 H new ATOM 0 HG21 ILE A 34 -0.863 1.435 3.067 1.00 21.31 H new ATOM 0 HG22 ILE A 34 0.458 2.628 3.076 1.00 21.31 H new ATOM 0 HG23 ILE A 34 0.169 1.631 1.630 1.00 21.31 H new ATOM 0 HD11 ILE A 34 -0.983 -2.180 2.950 1.00 3.45 H new ATOM 0 HD12 ILE A 34 -0.767 -1.150 4.385 1.00 3.45 H new ATOM 0 HD13 ILE A 34 -1.455 -0.465 2.894 1.00 3.45 H new ATOM 547 N VAL A 35 3.335 2.595 4.281 1.00 33.11 N ATOM 548 CA VAL A 35 3.703 3.949 4.676 1.00 12.24 C ATOM 549 C VAL A 35 5.082 4.321 4.145 1.00 44.00 C ATOM 550 O VAL A 35 5.273 5.402 3.587 1.00 22.32 O ATOM 551 CB VAL A 35 3.695 4.108 6.208 1.00 12.44 C ATOM 552 CG1 VAL A 35 4.130 5.512 6.602 1.00 71.21 C ATOM 553 CG2 VAL A 35 2.317 3.792 6.769 1.00 33.44 C ATOM 0 H VAL A 35 3.455 1.895 5.013 1.00 33.11 H new ATOM 0 HA VAL A 35 2.958 4.618 4.244 1.00 12.24 H new ATOM 0 HB VAL A 35 4.407 3.400 6.633 1.00 12.44 H new ATOM 0 HG11 VAL A 35 4.118 5.605 7.688 1.00 71.21 H new ATOM 0 HG12 VAL A 35 5.139 5.697 6.233 1.00 71.21 H new ATOM 0 HG13 VAL A 35 3.445 6.240 6.168 1.00 71.21 H new ATOM 0 HG21 VAL A 35 2.330 3.909 7.853 1.00 33.44 H new ATOM 0 HG22 VAL A 35 1.584 4.474 6.339 1.00 33.44 H new ATOM 0 HG23 VAL A 35 2.049 2.766 6.518 1.00 33.44 H new ATOM 563 N TRP A 36 6.041 3.419 4.321 1.00 32.24 N ATOM 564 CA TRP A 36 7.404 3.652 3.859 1.00 43.03 C ATOM 565 C TRP A 36 7.421 4.032 2.382 1.00 14.33 C ATOM 566 O TRP A 36 8.356 4.676 1.908 1.00 23.41 O ATOM 567 CB TRP A 36 8.262 2.406 4.087 1.00 42.42 C ATOM 568 CG TRP A 36 9.651 2.533 3.538 1.00 50.04 C ATOM 569 CD1 TRP A 36 10.782 2.849 4.235 1.00 62.35 C ATOM 570 CD2 TRP A 36 10.054 2.349 2.176 1.00 23.53 C ATOM 571 NE1 TRP A 36 11.865 2.872 3.388 1.00 34.43 N ATOM 572 CE2 TRP A 36 11.445 2.567 2.121 1.00 52.35 C ATOM 573 CE3 TRP A 36 9.377 2.018 1.000 1.00 71.14 C ATOM 574 CZ2 TRP A 36 12.167 2.467 0.934 1.00 33.13 C ATOM 575 CZ3 TRP A 36 10.095 1.919 -0.177 1.00 31.11 C ATOM 576 CH2 TRP A 36 11.478 2.142 -0.203 1.00 20.14 C ATOM 0 H TRP A 36 5.900 2.519 4.780 1.00 32.24 H new ATOM 0 HA TRP A 36 7.819 4.481 4.433 1.00 43.03 H new ATOM 0 HB2 TRP A 36 8.319 2.203 5.156 1.00 42.42 H new ATOM 0 HB3 TRP A 36 7.774 1.548 3.625 1.00 42.42 H new ATOM 0 HD1 TRP A 36 10.820 3.051 5.295 1.00 62.35 H new ATOM 0 HE1 TRP A 36 12.825 3.082 3.660 1.00 34.43 H new ATOM 0 HE3 TRP A 36 8.311 1.843 1.010 1.00 71.14 H new ATOM 0 HZ2 TRP A 36 13.233 2.640 0.912 1.00 33.13 H new ATOM 0 HZ3 TRP A 36 9.581 1.665 -1.092 1.00 31.11 H new ATOM 0 HH2 TRP A 36 12.011 2.056 -1.139 1.00 20.14 H new ATOM 587 N ALA A 37 6.379 3.631 1.661 1.00 63.23 N ATOM 588 CA ALA A 37 6.274 3.932 0.238 1.00 12.14 C ATOM 589 C ALA A 37 5.551 5.255 0.010 1.00 53.03 C ATOM 590 O ALA A 37 6.031 6.117 -0.726 1.00 63.22 O ATOM 591 CB ALA A 37 5.557 2.804 -0.488 1.00 72.12 C ATOM 0 H ALA A 37 5.596 3.097 2.038 1.00 63.23 H new ATOM 0 HA ALA A 37 7.283 4.025 -0.165 1.00 12.14 H new ATOM 0 HB1 ALA A 37 5.486 3.042 -1.549 1.00 72.12 H new ATOM 0 HB2 ALA A 37 6.115 1.877 -0.361 1.00 72.12 H new ATOM 0 HB3 ALA A 37 4.555 2.684 -0.075 1.00 72.12 H new ATOM 597 N SER A 38 4.393 5.409 0.644 1.00 30.23 N ATOM 598 CA SER A 38 3.601 6.625 0.506 1.00 42.50 C ATOM 599 C SER A 38 4.414 7.852 0.910 1.00 22.41 C ATOM 600 O SER A 38 4.282 8.921 0.315 1.00 45.12 O ATOM 601 CB SER A 38 2.335 6.535 1.360 1.00 50.01 C ATOM 602 OG SER A 38 2.485 7.253 2.572 1.00 11.41 O ATOM 0 H SER A 38 3.982 4.706 1.259 1.00 30.23 H new ATOM 0 HA SER A 38 3.317 6.727 -0.542 1.00 42.50 H new ATOM 0 HB2 SER A 38 1.487 6.931 0.802 1.00 50.01 H new ATOM 0 HB3 SER A 38 2.113 5.490 1.578 1.00 50.01 H new ATOM 0 HG SER A 38 1.662 7.181 3.099 1.00 11.41 H new ATOM 608 N ARG A 39 5.255 7.688 1.926 1.00 31.43 N ATOM 609 CA ARG A 39 6.089 8.780 2.412 1.00 50.31 C ATOM 610 C ARG A 39 7.175 9.127 1.398 1.00 51.53 C ATOM 611 O ARG A 39 7.850 10.149 1.523 1.00 72.35 O ATOM 612 CB ARG A 39 6.727 8.407 3.751 1.00 64.21 C ATOM 613 CG ARG A 39 7.358 9.585 4.475 1.00 15.31 C ATOM 614 CD ARG A 39 8.719 9.224 5.048 1.00 32.44 C ATOM 615 NE ARG A 39 8.627 8.165 6.050 1.00 61.20 N ATOM 616 CZ ARG A 39 9.661 7.423 6.432 1.00 13.11 C ATOM 617 NH1 ARG A 39 10.858 7.624 5.899 1.00 0.02 N ATOM 618 NH2 ARG A 39 9.498 6.478 7.349 1.00 11.34 N ATOM 0 H ARG A 39 5.377 6.809 2.429 1.00 31.43 H new ATOM 0 HA ARG A 39 5.453 9.654 2.552 1.00 50.31 H new ATOM 0 HB2 ARG A 39 5.968 7.961 4.394 1.00 64.21 H new ATOM 0 HB3 ARG A 39 7.488 7.646 3.581 1.00 64.21 H new ATOM 0 HG2 ARG A 39 7.463 10.423 3.786 1.00 15.31 H new ATOM 0 HG3 ARG A 39 6.700 9.914 5.279 1.00 15.31 H new ATOM 0 HD2 ARG A 39 9.379 8.904 4.241 1.00 32.44 H new ATOM 0 HD3 ARG A 39 9.170 10.109 5.496 1.00 32.44 H new ATOM 0 HE ARG A 39 7.720 7.985 6.480 1.00 61.20 H new ATOM 0 HH11 ARG A 39 10.987 8.350 5.194 1.00 0.02 H new ATOM 0 HH12 ARG A 39 11.650 7.053 6.194 1.00 0.02 H new ATOM 0 HH21 ARG A 39 8.578 6.321 7.761 1.00 11.34 H new ATOM 0 HH22 ARG A 39 10.292 5.909 7.642 1.00 11.34 H new ATOM 632 N GLU A 40 7.337 8.270 0.395 1.00 70.11 N ATOM 633 CA GLU A 40 8.342 8.486 -0.639 1.00 51.14 C ATOM 634 C GLU A 40 7.766 9.296 -1.797 1.00 75.23 C ATOM 635 O GLU A 40 8.429 10.179 -2.343 1.00 35.00 O ATOM 636 CB GLU A 40 8.873 7.146 -1.154 1.00 13.41 C ATOM 637 CG GLU A 40 10.094 7.279 -2.048 1.00 60.41 C ATOM 638 CD GLU A 40 11.395 7.138 -1.283 1.00 24.33 C ATOM 639 OE1 GLU A 40 11.765 5.993 -0.947 1.00 74.32 O ATOM 640 OE2 GLU A 40 12.044 8.171 -1.019 1.00 43.41 O ATOM 0 H GLU A 40 6.786 7.420 0.277 1.00 70.11 H new ATOM 0 HA GLU A 40 9.164 9.049 -0.198 1.00 51.14 H new ATOM 0 HB2 GLU A 40 9.123 6.513 -0.303 1.00 13.41 H new ATOM 0 HB3 GLU A 40 8.082 6.639 -1.707 1.00 13.41 H new ATOM 0 HG2 GLU A 40 10.052 6.520 -2.829 1.00 60.41 H new ATOM 0 HG3 GLU A 40 10.072 8.249 -2.545 1.00 60.41 H new ATOM 647 N LEU A 41 6.527 8.988 -2.168 1.00 4.54 N ATOM 648 CA LEU A 41 5.860 9.687 -3.261 1.00 63.51 C ATOM 649 C LEU A 41 5.925 11.197 -3.063 1.00 4.52 C ATOM 650 O LEU A 41 6.223 11.943 -3.995 1.00 63.34 O ATOM 651 CB LEU A 41 4.402 9.237 -3.365 1.00 71.32 C ATOM 652 CG LEU A 41 4.175 7.801 -3.840 1.00 34.03 C ATOM 653 CD1 LEU A 41 2.688 7.513 -3.977 1.00 14.24 C ATOM 654 CD2 LEU A 41 4.891 7.556 -5.160 1.00 30.23 C ATOM 0 H LEU A 41 5.965 8.259 -1.728 1.00 4.54 H new ATOM 0 HA LEU A 41 6.378 9.439 -4.187 1.00 63.51 H new ATOM 0 HB2 LEU A 41 3.936 9.353 -2.386 1.00 71.32 H new ATOM 0 HB3 LEU A 41 3.883 9.910 -4.047 1.00 71.32 H new ATOM 0 HG LEU A 41 4.589 7.122 -3.094 1.00 34.03 H new ATOM 0 HD11 LEU A 41 2.546 6.487 -4.316 1.00 14.24 H new ATOM 0 HD12 LEU A 41 2.201 7.647 -3.011 1.00 14.24 H new ATOM 0 HD13 LEU A 41 2.250 8.199 -4.702 1.00 14.24 H new ATOM 0 HD21 LEU A 41 4.718 6.529 -5.483 1.00 30.23 H new ATOM 0 HD22 LEU A 41 4.508 8.243 -5.915 1.00 30.23 H new ATOM 0 HD23 LEU A 41 5.961 7.720 -5.030 1.00 30.23 H new ATOM 666 N GLU A 42 5.647 11.641 -1.841 1.00 54.41 N ATOM 667 CA GLU A 42 5.675 13.064 -1.521 1.00 21.31 C ATOM 668 C GLU A 42 7.003 13.689 -1.939 1.00 53.13 C ATOM 669 O GLU A 42 7.040 14.810 -2.448 1.00 23.34 O ATOM 670 CB GLU A 42 5.448 13.277 -0.023 1.00 22.42 C ATOM 671 CG GLU A 42 4.154 14.004 0.299 1.00 12.24 C ATOM 672 CD GLU A 42 3.948 14.196 1.789 1.00 11.44 C ATOM 673 OE1 GLU A 42 4.909 13.977 2.555 1.00 25.41 O ATOM 674 OE2 GLU A 42 2.824 14.567 2.189 1.00 3.14 O ATOM 0 H GLU A 42 5.400 11.037 -1.057 1.00 54.41 H new ATOM 0 HA GLU A 42 4.873 13.551 -2.076 1.00 21.31 H new ATOM 0 HB2 GLU A 42 5.445 12.308 0.477 1.00 22.42 H new ATOM 0 HB3 GLU A 42 6.285 13.844 0.386 1.00 22.42 H new ATOM 0 HG2 GLU A 42 4.156 14.977 -0.192 1.00 12.24 H new ATOM 0 HG3 GLU A 42 3.314 13.442 -0.111 1.00 12.24 H new ATOM 681 N ARG A 43 8.090 12.956 -1.721 1.00 51.50 N ATOM 682 CA ARG A 43 9.420 13.439 -2.073 1.00 52.13 C ATOM 683 C ARG A 43 9.714 13.194 -3.550 1.00 75.24 C ATOM 684 O ARG A 43 10.595 13.826 -4.132 1.00 43.22 O ATOM 685 CB ARG A 43 10.480 12.752 -1.211 1.00 10.15 C ATOM 686 CG ARG A 43 11.554 13.698 -0.697 1.00 73.43 C ATOM 687 CD ARG A 43 11.080 14.468 0.525 1.00 32.22 C ATOM 688 NE ARG A 43 11.601 15.832 0.548 1.00 34.05 N ATOM 689 CZ ARG A 43 12.861 16.133 0.842 1.00 33.32 C ATOM 690 NH1 ARG A 43 13.724 15.170 1.136 1.00 42.34 N ATOM 691 NH2 ARG A 43 13.259 17.398 0.842 1.00 3.34 N ATOM 0 H ARG A 43 8.076 12.026 -1.303 1.00 51.50 H new ATOM 0 HA ARG A 43 9.450 14.513 -1.887 1.00 52.13 H new ATOM 0 HB2 ARG A 43 9.992 12.274 -0.362 1.00 10.15 H new ATOM 0 HB3 ARG A 43 10.953 11.961 -1.793 1.00 10.15 H new ATOM 0 HG2 ARG A 43 12.450 13.131 -0.446 1.00 73.43 H new ATOM 0 HG3 ARG A 43 11.831 14.398 -1.485 1.00 73.43 H new ATOM 0 HD2 ARG A 43 9.990 14.496 0.536 1.00 32.22 H new ATOM 0 HD3 ARG A 43 11.394 13.945 1.428 1.00 32.22 H new ATOM 0 HE ARG A 43 10.962 16.596 0.326 1.00 34.05 H new ATOM 0 HH11 ARG A 43 13.421 14.196 1.137 1.00 42.34 H new ATOM 0 HH12 ARG A 43 14.691 15.403 1.361 1.00 42.34 H new ATOM 0 HH21 ARG A 43 12.597 18.141 0.616 1.00 3.34 H new ATOM 0 HH22 ARG A 43 14.227 17.628 1.068 1.00 3.34 H new ATOM 705 N PHE A 44 8.969 12.271 -4.151 1.00 42.32 N ATOM 706 CA PHE A 44 9.151 11.941 -5.560 1.00 14.11 C ATOM 707 C PHE A 44 8.234 12.787 -6.439 1.00 43.02 C ATOM 708 O PHE A 44 7.900 12.400 -7.559 1.00 3.33 O ATOM 709 CB PHE A 44 8.874 10.455 -5.797 1.00 30.01 C ATOM 710 CG PHE A 44 10.082 9.583 -5.607 1.00 71.32 C ATOM 711 CD1 PHE A 44 10.891 9.730 -4.492 1.00 42.34 C ATOM 712 CD2 PHE A 44 10.408 8.615 -6.544 1.00 3.30 C ATOM 713 CE1 PHE A 44 12.003 8.929 -4.314 1.00 44.04 C ATOM 714 CE2 PHE A 44 11.519 7.811 -6.371 1.00 73.13 C ATOM 715 CZ PHE A 44 12.318 7.969 -5.256 1.00 30.32 C ATOM 0 H PHE A 44 8.234 11.739 -3.684 1.00 42.32 H new ATOM 0 HA PHE A 44 10.185 12.158 -5.828 1.00 14.11 H new ATOM 0 HB2 PHE A 44 8.088 10.127 -5.117 1.00 30.01 H new ATOM 0 HB3 PHE A 44 8.495 10.321 -6.810 1.00 30.01 H new ATOM 0 HD1 PHE A 44 10.650 10.480 -3.753 1.00 42.34 H new ATOM 0 HD2 PHE A 44 9.787 8.488 -7.419 1.00 3.30 H new ATOM 0 HE1 PHE A 44 12.625 9.053 -3.440 1.00 44.04 H new ATOM 0 HE2 PHE A 44 11.762 7.060 -7.108 1.00 73.13 H new ATOM 0 HZ PHE A 44 13.188 7.343 -5.121 1.00 30.32 H new ATOM 725 N ALA A 45 7.831 13.943 -5.923 1.00 2.50 N ATOM 726 CA ALA A 45 6.955 14.845 -6.660 1.00 41.25 C ATOM 727 C ALA A 45 5.661 14.146 -7.064 1.00 25.22 C ATOM 728 O ALA A 45 4.978 14.572 -7.995 1.00 60.51 O ATOM 729 CB ALA A 45 7.670 15.387 -7.890 1.00 13.35 C ATOM 0 H ALA A 45 8.097 14.277 -4.997 1.00 2.50 H new ATOM 0 HA ALA A 45 6.698 15.678 -6.005 1.00 41.25 H new ATOM 0 HB1 ALA A 45 7.004 16.059 -8.431 1.00 13.35 H new ATOM 0 HB2 ALA A 45 8.563 15.931 -7.582 1.00 13.35 H new ATOM 0 HB3 ALA A 45 7.956 14.559 -8.539 1.00 13.35 H new ATOM 735 N VAL A 46 5.331 13.069 -6.357 1.00 51.53 N ATOM 736 CA VAL A 46 4.119 12.311 -6.642 1.00 14.03 C ATOM 737 C VAL A 46 3.127 12.407 -5.488 1.00 31.13 C ATOM 738 O VAL A 46 3.496 12.252 -4.324 1.00 40.15 O ATOM 739 CB VAL A 46 4.435 10.828 -6.911 1.00 34.34 C ATOM 740 CG1 VAL A 46 3.151 10.016 -7.003 1.00 43.55 C ATOM 741 CG2 VAL A 46 5.261 10.681 -8.179 1.00 51.04 C ATOM 0 H VAL A 46 5.886 12.703 -5.584 1.00 51.53 H new ATOM 0 HA VAL A 46 3.675 12.748 -7.536 1.00 14.03 H new ATOM 0 HB VAL A 46 5.021 10.442 -6.077 1.00 34.34 H new ATOM 0 HG11 VAL A 46 3.394 8.971 -7.193 1.00 43.55 H new ATOM 0 HG12 VAL A 46 2.602 10.096 -6.065 1.00 43.55 H new ATOM 0 HG13 VAL A 46 2.536 10.399 -7.817 1.00 43.55 H new ATOM 0 HG21 VAL A 46 5.475 9.627 -8.354 1.00 51.04 H new ATOM 0 HG22 VAL A 46 4.704 11.083 -9.025 1.00 51.04 H new ATOM 0 HG23 VAL A 46 6.197 11.228 -8.069 1.00 51.04 H new ATOM 751 N ASN A 47 1.865 12.663 -5.819 1.00 24.05 N ATOM 752 CA ASN A 47 0.819 12.780 -4.809 1.00 62.32 C ATOM 753 C ASN A 47 0.525 11.425 -4.171 1.00 41.34 C ATOM 754 O ASN A 47 0.353 10.415 -4.853 1.00 31.40 O ATOM 755 CB ASN A 47 -0.457 13.351 -5.431 1.00 2.00 C ATOM 756 CG ASN A 47 -0.843 14.689 -4.831 1.00 53.10 C ATOM 757 OD1 ASN A 47 0.016 15.513 -4.518 1.00 22.15 O ATOM 758 ND2 ASN A 47 -2.142 14.911 -4.668 1.00 54.23 N ATOM 0 H ASN A 47 1.542 12.793 -6.778 1.00 24.05 H new ATOM 0 HA ASN A 47 1.172 13.458 -4.032 1.00 62.32 H new ATOM 0 HB2 ASN A 47 -0.315 13.465 -6.506 1.00 2.00 H new ATOM 0 HB3 ASN A 47 -1.274 12.644 -5.291 1.00 2.00 H new ATOM 0 HD21 ASN A 47 -2.462 15.793 -4.269 1.00 54.23 H new ATOM 0 HD22 ASN A 47 -2.819 14.199 -4.942 1.00 54.23 H new ATOM 765 N PRO A 48 0.465 11.403 -2.832 1.00 23.34 N ATOM 766 CA PRO A 48 0.191 10.179 -2.072 1.00 12.40 C ATOM 767 C PRO A 48 -1.247 9.702 -2.242 1.00 33.20 C ATOM 768 O PRO A 48 -1.615 8.628 -1.768 1.00 32.11 O ATOM 769 CB PRO A 48 0.448 10.597 -0.622 1.00 13.11 C ATOM 770 CG PRO A 48 0.223 12.070 -0.606 1.00 75.34 C ATOM 771 CD PRO A 48 0.660 12.570 -1.955 1.00 64.12 C ATOM 0 HA PRO A 48 0.809 9.345 -2.405 1.00 12.40 H new ATOM 0 HB2 PRO A 48 -0.228 10.086 0.063 1.00 13.11 H new ATOM 0 HB3 PRO A 48 1.463 10.348 -0.312 1.00 13.11 H new ATOM 0 HG2 PRO A 48 -0.826 12.303 -0.425 1.00 75.34 H new ATOM 0 HG3 PRO A 48 0.797 12.544 0.191 1.00 75.34 H new ATOM 0 HD2 PRO A 48 0.062 13.421 -2.281 1.00 64.12 H new ATOM 0 HD3 PRO A 48 1.700 12.896 -1.945 1.00 64.12 H new ATOM 779 N GLY A 49 -2.057 10.507 -2.922 1.00 52.45 N ATOM 780 CA GLY A 49 -3.446 10.149 -3.143 1.00 51.10 C ATOM 781 C GLY A 49 -3.635 9.293 -4.380 1.00 2.50 C ATOM 782 O GLY A 49 -4.764 9.030 -4.795 1.00 60.33 O ATOM 0 H GLY A 49 -1.776 11.401 -3.324 1.00 52.45 H new ATOM 0 HA2 GLY A 49 -3.822 9.612 -2.272 1.00 51.10 H new ATOM 0 HA3 GLY A 49 -4.041 11.057 -3.239 1.00 51.10 H new ATOM 786 N LEU A 50 -2.527 8.860 -4.972 1.00 34.33 N ATOM 787 CA LEU A 50 -2.575 8.030 -6.170 1.00 72.34 C ATOM 788 C LEU A 50 -2.586 6.548 -5.807 1.00 43.40 C ATOM 789 O LEU A 50 -3.138 5.723 -6.536 1.00 43.11 O ATOM 790 CB LEU A 50 -1.380 8.336 -7.075 1.00 12.21 C ATOM 791 CG LEU A 50 -1.208 9.798 -7.487 1.00 53.55 C ATOM 792 CD1 LEU A 50 0.072 9.980 -8.288 1.00 52.31 C ATOM 793 CD2 LEU A 50 -2.412 10.272 -8.289 1.00 34.42 C ATOM 0 H LEU A 50 -1.585 9.070 -4.642 1.00 34.33 H new ATOM 0 HA LEU A 50 -3.497 8.261 -6.704 1.00 72.34 H new ATOM 0 HB2 LEU A 50 -0.472 8.014 -6.566 1.00 12.21 H new ATOM 0 HB3 LEU A 50 -1.470 7.733 -7.978 1.00 12.21 H new ATOM 0 HG LEU A 50 -1.137 10.404 -6.583 1.00 53.55 H new ATOM 0 HD11 LEU A 50 0.177 11.027 -8.572 1.00 52.31 H new ATOM 0 HD12 LEU A 50 0.927 9.681 -7.681 1.00 52.31 H new ATOM 0 HD13 LEU A 50 0.031 9.363 -9.185 1.00 52.31 H new ATOM 0 HD21 LEU A 50 -2.272 11.315 -8.574 1.00 34.42 H new ATOM 0 HD22 LEU A 50 -2.515 9.662 -9.186 1.00 34.42 H new ATOM 0 HD23 LEU A 50 -3.313 10.179 -7.682 1.00 34.42 H new ATOM 805 N LEU A 51 -1.974 6.218 -4.675 1.00 14.11 N ATOM 806 CA LEU A 51 -1.915 4.836 -4.213 1.00 30.35 C ATOM 807 C LEU A 51 -3.282 4.365 -3.727 1.00 73.44 C ATOM 808 O LEU A 51 -3.485 3.179 -3.470 1.00 23.50 O ATOM 809 CB LEU A 51 -0.887 4.697 -3.089 1.00 22.15 C ATOM 810 CG LEU A 51 0.541 5.125 -3.429 1.00 23.24 C ATOM 811 CD1 LEU A 51 1.384 5.224 -2.166 1.00 73.03 C ATOM 812 CD2 LEU A 51 1.169 4.152 -4.416 1.00 31.42 C ATOM 0 H LEU A 51 -1.512 6.888 -4.061 1.00 14.11 H new ATOM 0 HA LEU A 51 -1.613 4.211 -5.053 1.00 30.35 H new ATOM 0 HB2 LEU A 51 -1.228 5.285 -2.237 1.00 22.15 H new ATOM 0 HB3 LEU A 51 -0.866 3.655 -2.769 1.00 22.15 H new ATOM 0 HG LEU A 51 0.503 6.110 -3.894 1.00 23.24 H new ATOM 0 HD11 LEU A 51 2.397 5.530 -2.428 1.00 73.03 H new ATOM 0 HD12 LEU A 51 0.945 5.960 -1.493 1.00 73.03 H new ATOM 0 HD13 LEU A 51 1.414 4.253 -1.672 1.00 73.03 H new ATOM 0 HD21 LEU A 51 2.185 4.473 -4.646 1.00 31.42 H new ATOM 0 HD22 LEU A 51 1.194 3.154 -3.978 1.00 31.42 H new ATOM 0 HD23 LEU A 51 0.579 4.131 -5.332 1.00 31.42 H new ATOM 824 N GLU A 52 -4.217 5.302 -3.607 1.00 73.04 N ATOM 825 CA GLU A 52 -5.566 4.981 -3.155 1.00 2.33 C ATOM 826 C GLU A 52 -6.331 4.211 -4.227 1.00 50.31 C ATOM 827 O GLU A 52 -7.207 3.401 -3.921 1.00 43.22 O ATOM 828 CB GLU A 52 -6.323 6.260 -2.791 1.00 52.11 C ATOM 829 CG GLU A 52 -6.963 6.949 -3.985 1.00 21.12 C ATOM 830 CD GLU A 52 -7.247 8.416 -3.729 1.00 2.34 C ATOM 831 OE1 GLU A 52 -6.965 8.887 -2.607 1.00 1.33 O ATOM 832 OE2 GLU A 52 -7.751 9.093 -4.649 1.00 3.21 O ATOM 0 H GLU A 52 -4.066 6.289 -3.816 1.00 73.04 H new ATOM 0 HA GLU A 52 -5.485 4.351 -2.269 1.00 2.33 H new ATOM 0 HB2 GLU A 52 -7.098 6.019 -2.063 1.00 52.11 H new ATOM 0 HB3 GLU A 52 -5.636 6.954 -2.307 1.00 52.11 H new ATOM 0 HG2 GLU A 52 -6.305 6.856 -4.849 1.00 21.12 H new ATOM 0 HG3 GLU A 52 -7.894 6.441 -4.237 1.00 21.12 H new ATOM 839 N THR A 53 -5.995 4.471 -5.487 1.00 22.50 N ATOM 840 CA THR A 53 -6.650 3.804 -6.605 1.00 51.54 C ATOM 841 C THR A 53 -5.648 3.011 -7.436 1.00 53.15 C ATOM 842 O THR A 53 -4.505 3.431 -7.615 1.00 20.11 O ATOM 843 CB THR A 53 -7.370 4.816 -7.518 1.00 31.53 C ATOM 844 OG1 THR A 53 -6.417 5.499 -8.339 1.00 51.14 O ATOM 845 CG2 THR A 53 -8.154 5.826 -6.693 1.00 64.23 C ATOM 0 H THR A 53 -5.273 5.139 -5.758 1.00 22.50 H new ATOM 0 HA THR A 53 -7.385 3.121 -6.179 1.00 51.54 H new ATOM 0 HB THR A 53 -8.068 4.269 -8.152 1.00 31.53 H new ATOM 0 HG1 THR A 53 -6.882 6.139 -8.917 1.00 51.14 H new ATOM 0 HG21 THR A 53 -8.654 6.530 -7.359 1.00 64.23 H new ATOM 0 HG22 THR A 53 -8.898 5.305 -6.091 1.00 64.23 H new ATOM 0 HG23 THR A 53 -7.472 6.368 -6.037 1.00 64.23 H new ATOM 853 N SER A 54 -6.085 1.863 -7.943 1.00 62.53 N ATOM 854 CA SER A 54 -5.224 1.008 -8.754 1.00 14.53 C ATOM 855 C SER A 54 -4.678 1.772 -9.956 1.00 1.30 C ATOM 856 O SER A 54 -3.524 1.595 -10.345 1.00 31.33 O ATOM 857 CB SER A 54 -5.995 -0.226 -9.226 1.00 42.25 C ATOM 858 OG SER A 54 -7.326 -0.213 -8.741 1.00 52.23 O ATOM 0 H SER A 54 -7.030 1.503 -7.807 1.00 62.53 H new ATOM 0 HA SER A 54 -4.384 0.689 -8.137 1.00 14.53 H new ATOM 0 HB2 SER A 54 -6.002 -0.259 -10.315 1.00 42.25 H new ATOM 0 HB3 SER A 54 -5.489 -1.128 -8.883 1.00 42.25 H new ATOM 0 HG SER A 54 -7.836 0.485 -9.203 1.00 52.23 H new ATOM 864 N GLU A 55 -5.516 2.623 -10.540 1.00 35.31 N ATOM 865 CA GLU A 55 -5.118 3.413 -11.699 1.00 1.24 C ATOM 866 C GLU A 55 -4.000 4.386 -11.335 1.00 10.20 C ATOM 867 O GLU A 55 -3.066 4.593 -12.109 1.00 12.13 O ATOM 868 CB GLU A 55 -6.317 4.183 -12.256 1.00 34.41 C ATOM 869 CG GLU A 55 -6.683 3.793 -13.678 1.00 71.42 C ATOM 870 CD GLU A 55 -8.075 4.249 -14.069 1.00 13.33 C ATOM 871 OE1 GLU A 55 -8.235 5.442 -14.405 1.00 34.45 O ATOM 872 OE2 GLU A 55 -9.004 3.415 -14.038 1.00 52.54 O ATOM 0 H GLU A 55 -6.474 2.783 -10.229 1.00 35.31 H new ATOM 0 HA GLU A 55 -4.748 2.729 -12.463 1.00 1.24 H new ATOM 0 HB2 GLU A 55 -7.178 4.015 -11.609 1.00 34.41 H new ATOM 0 HB3 GLU A 55 -6.099 5.250 -12.226 1.00 34.41 H new ATOM 0 HG2 GLU A 55 -5.957 4.224 -14.367 1.00 71.42 H new ATOM 0 HG3 GLU A 55 -6.617 2.710 -13.782 1.00 71.42 H new ATOM 879 N GLY A 56 -4.104 4.982 -10.151 1.00 24.23 N ATOM 880 CA GLY A 56 -3.096 5.926 -9.705 1.00 11.42 C ATOM 881 C GLY A 56 -1.700 5.337 -9.724 1.00 22.34 C ATOM 882 O GLY A 56 -0.746 5.996 -10.140 1.00 30.44 O ATOM 0 H GLY A 56 -4.868 4.828 -9.493 1.00 24.23 H new ATOM 0 HA2 GLY A 56 -3.123 6.809 -10.343 1.00 11.42 H new ATOM 0 HA3 GLY A 56 -3.334 6.256 -8.694 1.00 11.42 H new ATOM 886 N CYS A 57 -1.578 4.094 -9.271 1.00 72.22 N ATOM 887 CA CYS A 57 -0.287 3.416 -9.235 1.00 71.03 C ATOM 888 C CYS A 57 0.254 3.202 -10.645 1.00 41.42 C ATOM 889 O CYS A 57 1.452 3.346 -10.889 1.00 42.43 O ATOM 890 CB CYS A 57 -0.413 2.073 -8.515 1.00 62.43 C ATOM 891 SG CYS A 57 -1.250 2.168 -6.916 1.00 33.03 S ATOM 0 H CYS A 57 -2.357 3.535 -8.924 1.00 72.22 H new ATOM 0 HA CYS A 57 0.413 4.049 -8.689 1.00 71.03 H new ATOM 0 HB2 CYS A 57 -0.956 1.379 -9.156 1.00 62.43 H new ATOM 0 HB3 CYS A 57 0.584 1.657 -8.367 1.00 62.43 H new ATOM 0 HG CYS A 57 -2.448 2.646 -7.081 1.00 33.03 H new ATOM 897 N ARG A 58 -0.636 2.857 -11.569 1.00 74.32 N ATOM 898 CA ARG A 58 -0.248 2.620 -12.954 1.00 44.23 C ATOM 899 C ARG A 58 0.592 3.777 -13.489 1.00 15.34 C ATOM 900 O ARG A 58 1.561 3.568 -14.217 1.00 4.05 O ATOM 901 CB ARG A 58 -1.488 2.429 -13.829 1.00 0.20 C ATOM 902 CG ARG A 58 -1.196 1.758 -15.161 1.00 53.43 C ATOM 903 CD ARG A 58 -2.265 2.082 -16.194 1.00 4.41 C ATOM 904 NE ARG A 58 -2.008 1.424 -17.472 1.00 33.31 N ATOM 905 CZ ARG A 58 -2.601 1.770 -18.609 1.00 72.20 C ATOM 906 NH1 ARG A 58 -3.480 2.763 -18.627 1.00 23.30 N ATOM 907 NH2 ARG A 58 -2.315 1.122 -19.731 1.00 54.45 N ATOM 0 H ARG A 58 -1.632 2.735 -11.383 1.00 74.32 H new ATOM 0 HA ARG A 58 0.353 1.711 -12.986 1.00 44.23 H new ATOM 0 HB2 ARG A 58 -2.219 1.832 -13.283 1.00 0.20 H new ATOM 0 HB3 ARG A 58 -1.945 3.401 -14.014 1.00 0.20 H new ATOM 0 HG2 ARG A 58 -0.223 2.084 -15.528 1.00 53.43 H new ATOM 0 HG3 ARG A 58 -1.139 0.679 -15.021 1.00 53.43 H new ATOM 0 HD2 ARG A 58 -3.240 1.773 -15.816 1.00 4.41 H new ATOM 0 HD3 ARG A 58 -2.309 3.161 -16.344 1.00 4.41 H new ATOM 0 HE ARG A 58 -1.336 0.657 -17.493 1.00 33.31 H new ATOM 0 HH11 ARG A 58 -3.702 3.263 -17.766 1.00 23.30 H new ATOM 0 HH12 ARG A 58 -3.934 3.027 -19.502 1.00 23.30 H new ATOM 0 HH21 ARG A 58 -1.640 0.358 -19.721 1.00 54.45 H new ATOM 0 HH22 ARG A 58 -2.771 1.388 -20.604 1.00 54.45 H new ATOM 921 N GLN A 59 0.210 4.997 -13.122 1.00 22.30 N ATOM 922 CA GLN A 59 0.927 6.186 -13.566 1.00 1.32 C ATOM 923 C GLN A 59 2.248 6.337 -12.818 1.00 34.13 C ATOM 924 O GLN A 59 3.230 6.835 -13.368 1.00 1.22 O ATOM 925 CB GLN A 59 0.065 7.433 -13.360 1.00 4.34 C ATOM 926 CG GLN A 59 -0.382 8.085 -14.658 1.00 44.40 C ATOM 927 CD GLN A 59 -0.082 9.571 -14.698 1.00 60.13 C ATOM 928 OE1 GLN A 59 -0.226 10.272 -13.697 1.00 13.53 O ATOM 929 NE2 GLN A 59 0.338 10.059 -15.860 1.00 2.14 N ATOM 0 H GLN A 59 -0.591 5.187 -12.519 1.00 22.30 H new ATOM 0 HA GLN A 59 1.143 6.074 -14.628 1.00 1.32 H new ATOM 0 HB2 GLN A 59 -0.815 7.164 -12.777 1.00 4.34 H new ATOM 0 HB3 GLN A 59 0.626 8.160 -12.773 1.00 4.34 H new ATOM 0 HG2 GLN A 59 0.114 7.595 -15.496 1.00 44.40 H new ATOM 0 HG3 GLN A 59 -1.453 7.931 -14.788 1.00 44.40 H new ATOM 0 HE21 GLN A 59 0.443 9.441 -16.665 1.00 2.14 H new ATOM 0 HE22 GLN A 59 0.555 11.052 -15.948 1.00 2.14 H new ATOM 938 N ILE A 60 2.263 5.904 -11.562 1.00 30.13 N ATOM 939 CA ILE A 60 3.463 5.990 -10.739 1.00 42.31 C ATOM 940 C ILE A 60 4.550 5.051 -11.252 1.00 13.23 C ATOM 941 O ILE A 60 5.667 5.478 -11.545 1.00 3.20 O ATOM 942 CB ILE A 60 3.162 5.653 -9.267 1.00 10.53 C ATOM 943 CG1 ILE A 60 2.087 6.592 -8.716 1.00 13.22 C ATOM 944 CG2 ILE A 60 4.431 5.745 -8.432 1.00 72.13 C ATOM 945 CD1 ILE A 60 1.427 6.081 -7.454 1.00 61.01 C ATOM 0 H ILE A 60 1.458 5.490 -11.092 1.00 30.13 H new ATOM 0 HA ILE A 60 3.816 7.019 -10.802 1.00 42.31 H new ATOM 0 HB ILE A 60 2.788 4.631 -9.213 1.00 10.53 H new ATOM 0 HG12 ILE A 60 2.535 7.565 -8.514 1.00 13.22 H new ATOM 0 HG13 ILE A 60 1.324 6.745 -9.479 1.00 13.22 H new ATOM 0 HG21 ILE A 60 4.202 5.504 -7.394 1.00 72.13 H new ATOM 0 HG22 ILE A 60 5.170 5.040 -8.814 1.00 72.13 H new ATOM 0 HG23 ILE A 60 4.832 6.757 -8.490 1.00 72.13 H new ATOM 0 HD11 ILE A 60 0.676 6.797 -7.120 1.00 61.01 H new ATOM 0 HD12 ILE A 60 0.949 5.122 -7.656 1.00 61.01 H new ATOM 0 HD13 ILE A 60 2.179 5.955 -6.675 1.00 61.01 H new ATOM 957 N LEU A 61 4.214 3.770 -11.359 1.00 43.33 N ATOM 958 CA LEU A 61 5.161 2.769 -11.839 1.00 12.20 C ATOM 959 C LEU A 61 5.741 3.172 -13.191 1.00 1.22 C ATOM 960 O LEU A 61 6.902 2.892 -13.488 1.00 54.10 O ATOM 961 CB LEU A 61 4.478 1.405 -11.951 1.00 12.15 C ATOM 962 CG LEU A 61 4.050 0.759 -10.632 1.00 73.04 C ATOM 963 CD1 LEU A 61 2.958 -0.272 -10.873 1.00 53.21 C ATOM 964 CD2 LEU A 61 5.244 0.121 -9.938 1.00 43.05 C ATOM 0 H LEU A 61 3.294 3.400 -11.120 1.00 43.33 H new ATOM 0 HA LEU A 61 5.977 2.702 -11.120 1.00 12.20 H new ATOM 0 HB2 LEU A 61 3.596 1.513 -12.583 1.00 12.15 H new ATOM 0 HB3 LEU A 61 5.156 0.722 -12.464 1.00 12.15 H new ATOM 0 HG LEU A 61 3.650 1.537 -9.981 1.00 73.04 H new ATOM 0 HD11 LEU A 61 2.666 -0.721 -9.924 1.00 53.21 H new ATOM 0 HD12 LEU A 61 2.093 0.213 -11.326 1.00 53.21 H new ATOM 0 HD13 LEU A 61 3.331 -1.048 -11.542 1.00 53.21 H new ATOM 0 HD21 LEU A 61 4.920 -0.333 -9.002 1.00 43.05 H new ATOM 0 HD22 LEU A 61 5.674 -0.645 -10.584 1.00 43.05 H new ATOM 0 HD23 LEU A 61 5.995 0.884 -9.731 1.00 43.05 H new ATOM 976 N GLY A 62 4.925 3.834 -14.006 1.00 62.21 N ATOM 977 CA GLY A 62 5.376 4.267 -15.316 1.00 30.42 C ATOM 978 C GLY A 62 6.505 5.275 -15.236 1.00 62.34 C ATOM 979 O GLY A 62 7.448 5.222 -16.025 1.00 41.54 O ATOM 0 H GLY A 62 3.960 4.078 -13.783 1.00 62.21 H new ATOM 0 HA2 GLY A 62 5.707 3.400 -15.888 1.00 30.42 H new ATOM 0 HA3 GLY A 62 4.539 4.706 -15.858 1.00 30.42 H new ATOM 983 N GLN A 63 6.409 6.195 -14.283 1.00 14.34 N ATOM 984 CA GLN A 63 7.429 7.221 -14.106 1.00 5.25 C ATOM 985 C GLN A 63 8.711 6.622 -13.536 1.00 33.55 C ATOM 986 O GLN A 63 9.812 6.941 -13.985 1.00 50.32 O ATOM 987 CB GLN A 63 6.916 8.328 -13.183 1.00 32.22 C ATOM 988 CG GLN A 63 6.402 9.550 -13.926 1.00 43.33 C ATOM 989 CD GLN A 63 4.890 9.659 -13.897 1.00 25.21 C ATOM 990 OE1 GLN A 63 4.280 9.700 -12.828 1.00 62.32 O ATOM 991 NE2 GLN A 63 4.277 9.706 -15.074 1.00 1.43 N ATOM 0 H GLN A 63 5.635 6.251 -13.621 1.00 14.34 H new ATOM 0 HA GLN A 63 7.652 7.647 -15.084 1.00 5.25 H new ATOM 0 HB2 GLN A 63 6.116 7.928 -12.560 1.00 32.22 H new ATOM 0 HB3 GLN A 63 7.720 8.632 -12.513 1.00 32.22 H new ATOM 0 HG2 GLN A 63 6.835 10.447 -13.485 1.00 43.33 H new ATOM 0 HG3 GLN A 63 6.739 9.509 -14.962 1.00 43.33 H new ATOM 0 HE21 GLN A 63 4.823 9.669 -15.935 1.00 1.43 H new ATOM 0 HE22 GLN A 63 3.261 9.779 -15.117 1.00 1.43 H new ATOM 1000 N LEU A 64 8.560 5.751 -12.543 1.00 41.14 N ATOM 1001 CA LEU A 64 9.706 5.106 -11.911 1.00 14.21 C ATOM 1002 C LEU A 64 10.293 4.029 -12.817 1.00 41.13 C ATOM 1003 O LEU A 64 11.446 3.630 -12.655 1.00 33.31 O ATOM 1004 CB LEU A 64 9.295 4.493 -10.571 1.00 1.10 C ATOM 1005 CG LEU A 64 8.466 5.388 -9.649 1.00 40.12 C ATOM 1006 CD1 LEU A 64 7.997 4.610 -8.430 1.00 31.31 C ATOM 1007 CD2 LEU A 64 9.270 6.610 -9.228 1.00 33.43 C ATOM 0 H LEU A 64 7.656 5.476 -12.159 1.00 41.14 H new ATOM 0 HA LEU A 64 10.469 5.865 -11.738 1.00 14.21 H new ATOM 0 HB2 LEU A 64 8.727 3.584 -10.769 1.00 1.10 H new ATOM 0 HB3 LEU A 64 10.198 4.195 -10.039 1.00 1.10 H new ATOM 0 HG LEU A 64 7.587 5.727 -10.197 1.00 40.12 H new ATOM 0 HD11 LEU A 64 7.409 5.263 -7.786 1.00 31.31 H new ATOM 0 HD12 LEU A 64 7.384 3.768 -8.750 1.00 31.31 H new ATOM 0 HD13 LEU A 64 8.862 4.240 -7.879 1.00 31.31 H new ATOM 0 HD21 LEU A 64 8.665 7.236 -8.572 1.00 33.43 H new ATOM 0 HD22 LEU A 64 10.167 6.290 -8.698 1.00 33.43 H new ATOM 0 HD23 LEU A 64 9.555 7.180 -10.112 1.00 33.43 H new ATOM 1019 N GLN A 65 9.493 3.565 -13.772 1.00 42.51 N ATOM 1020 CA GLN A 65 9.935 2.536 -14.705 1.00 62.21 C ATOM 1021 C GLN A 65 11.257 2.925 -15.359 1.00 70.10 C ATOM 1022 O GLN A 65 12.275 2.249 -15.209 1.00 33.43 O ATOM 1023 CB GLN A 65 8.871 2.300 -15.779 1.00 24.03 C ATOM 1024 CG GLN A 65 8.240 0.919 -15.716 1.00 73.31 C ATOM 1025 CD GLN A 65 7.600 0.510 -17.028 1.00 70.51 C ATOM 1026 OE1 GLN A 65 7.276 1.354 -17.864 1.00 63.31 O ATOM 1027 NE2 GLN A 65 7.414 -0.792 -17.216 1.00 42.20 N ATOM 0 H GLN A 65 8.536 3.885 -13.920 1.00 42.51 H new ATOM 0 HA GLN A 65 10.086 1.614 -14.144 1.00 62.21 H new ATOM 0 HB2 GLN A 65 8.089 3.053 -15.676 1.00 24.03 H new ATOM 0 HB3 GLN A 65 9.321 2.440 -16.762 1.00 24.03 H new ATOM 0 HG2 GLN A 65 9.001 0.188 -15.444 1.00 73.31 H new ATOM 0 HG3 GLN A 65 7.487 0.903 -14.928 1.00 73.31 H new ATOM 0 HE21 GLN A 65 7.698 -1.457 -16.496 1.00 42.20 H new ATOM 0 HE22 GLN A 65 6.988 -1.127 -18.080 1.00 42.20 H new ATOM 1036 N PRO A 66 11.244 4.041 -16.103 1.00 73.22 N ATOM 1037 CA PRO A 66 12.434 4.545 -16.795 1.00 14.11 C ATOM 1038 C PRO A 66 13.481 5.085 -15.828 1.00 2.45 C ATOM 1039 O PRO A 66 14.566 5.498 -16.239 1.00 14.02 O ATOM 1040 CB PRO A 66 11.883 5.673 -17.671 1.00 61.24 C ATOM 1041 CG PRO A 66 10.645 6.123 -16.976 1.00 74.44 C ATOM 1042 CD PRO A 66 10.066 4.896 -16.326 1.00 41.40 C ATOM 0 HA PRO A 66 12.943 3.761 -17.356 1.00 14.11 H new ATOM 0 HB2 PRO A 66 12.602 6.487 -17.766 1.00 61.24 H new ATOM 0 HB3 PRO A 66 11.665 5.321 -18.679 1.00 61.24 H new ATOM 0 HG2 PRO A 66 10.871 6.888 -16.233 1.00 74.44 H new ATOM 0 HG3 PRO A 66 9.939 6.561 -17.681 1.00 74.44 H new ATOM 0 HD2 PRO A 66 9.561 5.137 -15.390 1.00 41.40 H new ATOM 0 HD3 PRO A 66 9.332 4.409 -16.968 1.00 41.40 H new ATOM 1050 N SER A 67 13.150 5.080 -14.540 1.00 62.42 N ATOM 1051 CA SER A 67 14.062 5.572 -13.514 1.00 53.53 C ATOM 1052 C SER A 67 14.696 4.415 -12.750 1.00 23.33 C ATOM 1053 O SER A 67 15.653 4.602 -11.997 1.00 43.43 O ATOM 1054 CB SER A 67 13.321 6.494 -12.544 1.00 13.22 C ATOM 1055 OG SER A 67 13.074 7.760 -13.131 1.00 11.23 O ATOM 0 H SER A 67 12.257 4.741 -14.183 1.00 62.42 H new ATOM 0 HA SER A 67 14.854 6.136 -14.007 1.00 53.53 H new ATOM 0 HB2 SER A 67 12.377 6.035 -12.251 1.00 13.22 H new ATOM 0 HB3 SER A 67 13.910 6.620 -11.635 1.00 13.22 H new ATOM 0 HG SER A 67 12.598 8.330 -12.491 1.00 11.23 H new ATOM 1061 N LEU A 68 14.157 3.217 -12.948 1.00 14.12 N ATOM 1062 CA LEU A 68 14.669 2.027 -12.278 1.00 32.23 C ATOM 1063 C LEU A 68 16.178 1.905 -12.463 1.00 31.43 C ATOM 1064 O LEU A 68 16.860 1.260 -11.666 1.00 53.04 O ATOM 1065 CB LEU A 68 13.974 0.775 -12.817 1.00 43.21 C ATOM 1066 CG LEU A 68 12.607 0.453 -12.212 1.00 65.44 C ATOM 1067 CD1 LEU A 68 11.854 -0.534 -13.091 1.00 43.23 C ATOM 1068 CD2 LEU A 68 12.765 -0.098 -10.803 1.00 33.54 C ATOM 0 H LEU A 68 13.365 3.044 -13.567 1.00 14.12 H new ATOM 0 HA LEU A 68 14.459 2.121 -11.213 1.00 32.23 H new ATOM 0 HB2 LEU A 68 13.855 0.885 -13.895 1.00 43.21 H new ATOM 0 HB3 LEU A 68 14.631 -0.079 -12.655 1.00 43.21 H new ATOM 0 HG LEU A 68 12.028 1.375 -12.158 1.00 65.44 H new ATOM 0 HD11 LEU A 68 10.884 -0.752 -12.645 1.00 43.23 H new ATOM 0 HD12 LEU A 68 11.710 -0.102 -14.081 1.00 43.23 H new ATOM 0 HD13 LEU A 68 12.429 -1.456 -13.177 1.00 43.23 H new ATOM 0 HD21 LEU A 68 11.782 -0.322 -10.388 1.00 33.54 H new ATOM 0 HD22 LEU A 68 13.362 -1.009 -10.834 1.00 33.54 H new ATOM 0 HD23 LEU A 68 13.264 0.642 -10.177 1.00 33.54 H new ATOM 1080 N GLN A 69 16.692 2.530 -13.517 1.00 61.51 N ATOM 1081 CA GLN A 69 18.121 2.492 -13.805 1.00 60.50 C ATOM 1082 C GLN A 69 18.820 3.732 -13.258 1.00 32.11 C ATOM 1083 O GLN A 69 19.914 3.646 -12.699 1.00 51.21 O ATOM 1084 CB GLN A 69 18.356 2.382 -15.313 1.00 2.44 C ATOM 1085 CG GLN A 69 19.662 1.694 -15.676 1.00 74.44 C ATOM 1086 CD GLN A 69 19.732 1.314 -17.142 1.00 62.23 C ATOM 1087 OE1 GLN A 69 19.219 2.026 -18.006 1.00 10.35 O ATOM 1088 NE2 GLN A 69 20.371 0.186 -17.432 1.00 35.01 N ATOM 0 H GLN A 69 16.141 3.068 -14.185 1.00 61.51 H new ATOM 0 HA GLN A 69 18.542 1.615 -13.314 1.00 60.50 H new ATOM 0 HB2 GLN A 69 17.528 1.833 -15.762 1.00 2.44 H new ATOM 0 HB3 GLN A 69 18.348 3.382 -15.747 1.00 2.44 H new ATOM 0 HG2 GLN A 69 20.495 2.354 -15.435 1.00 74.44 H new ATOM 0 HG3 GLN A 69 19.778 0.798 -15.066 1.00 74.44 H new ATOM 0 HE21 GLN A 69 20.782 -0.374 -16.685 1.00 35.01 H new ATOM 0 HE22 GLN A 69 20.451 -0.120 -18.402 1.00 35.01 H new ATOM 1097 N THR A 70 18.181 4.886 -13.423 1.00 11.15 N ATOM 1098 CA THR A 70 18.741 6.145 -12.947 1.00 24.52 C ATOM 1099 C THR A 70 18.695 6.227 -11.425 1.00 60.24 C ATOM 1100 O THR A 70 19.721 6.416 -10.773 1.00 34.44 O ATOM 1101 CB THR A 70 17.991 7.353 -13.538 1.00 62.11 C ATOM 1102 OG1 THR A 70 16.612 7.309 -13.155 1.00 61.51 O ATOM 1103 CG2 THR A 70 18.101 7.369 -15.055 1.00 61.43 C ATOM 0 H THR A 70 17.275 4.975 -13.883 1.00 11.15 H new ATOM 0 HA THR A 70 19.779 6.174 -13.278 1.00 24.52 H new ATOM 0 HB THR A 70 18.447 8.262 -13.147 1.00 62.11 H new ATOM 0 HG1 THR A 70 16.143 8.081 -13.534 1.00 61.51 H new ATOM 0 HG21 THR A 70 17.563 8.231 -15.450 1.00 61.43 H new ATOM 0 HG22 THR A 70 19.150 7.433 -15.343 1.00 61.43 H new ATOM 0 HG23 THR A 70 17.668 6.455 -15.461 1.00 61.43 H new ATOM 1111 N GLY A 71 17.497 6.083 -10.866 1.00 5.34 N ATOM 1112 CA GLY A 71 17.340 6.144 -9.424 1.00 63.02 C ATOM 1113 C GLY A 71 18.253 5.175 -8.700 1.00 64.31 C ATOM 1114 O GLY A 71 18.743 4.213 -9.292 1.00 31.44 O ATOM 0 H GLY A 71 16.633 5.925 -11.385 1.00 5.34 H new ATOM 0 HA2 GLY A 71 17.547 7.158 -9.082 1.00 63.02 H new ATOM 0 HA3 GLY A 71 16.304 5.925 -9.165 1.00 63.02 H new ATOM 1118 N SER A 72 18.485 5.429 -7.416 1.00 40.02 N ATOM 1119 CA SER A 72 19.350 4.574 -6.612 1.00 4.54 C ATOM 1120 C SER A 72 18.587 3.356 -6.100 1.00 2.50 C ATOM 1121 O SER A 72 17.500 3.045 -6.584 1.00 35.25 O ATOM 1122 CB SER A 72 19.927 5.361 -5.433 1.00 53.40 C ATOM 1123 OG SER A 72 18.989 5.454 -4.375 1.00 1.25 O ATOM 0 H SER A 72 18.086 6.220 -6.910 1.00 40.02 H new ATOM 0 HA SER A 72 20.168 4.229 -7.245 1.00 4.54 H new ATOM 0 HB2 SER A 72 20.835 4.875 -5.077 1.00 53.40 H new ATOM 0 HB3 SER A 72 20.209 6.361 -5.762 1.00 53.40 H new ATOM 0 HG SER A 72 19.382 5.960 -3.633 1.00 1.25 H new ATOM 1129 N GLU A 73 19.167 2.672 -5.119 1.00 13.24 N ATOM 1130 CA GLU A 73 18.542 1.488 -4.542 1.00 32.33 C ATOM 1131 C GLU A 73 17.172 1.824 -3.960 1.00 74.02 C ATOM 1132 O GLU A 73 16.289 0.970 -3.892 1.00 72.51 O ATOM 1133 CB GLU A 73 19.437 0.890 -3.454 1.00 51.10 C ATOM 1134 CG GLU A 73 19.386 -0.627 -3.389 1.00 73.12 C ATOM 1135 CD GLU A 73 20.757 -1.250 -3.212 1.00 32.04 C ATOM 1136 OE1 GLU A 73 21.492 -0.817 -2.300 1.00 43.04 O ATOM 1137 OE2 GLU A 73 21.094 -2.171 -3.985 1.00 33.44 O ATOM 0 H GLU A 73 20.068 2.917 -4.708 1.00 13.24 H new ATOM 0 HA GLU A 73 18.410 0.755 -5.338 1.00 32.33 H new ATOM 0 HB2 GLU A 73 20.466 1.203 -3.629 1.00 51.10 H new ATOM 0 HB3 GLU A 73 19.140 1.297 -2.487 1.00 51.10 H new ATOM 0 HG2 GLU A 73 18.744 -0.930 -2.562 1.00 73.12 H new ATOM 0 HG3 GLU A 73 18.932 -1.011 -4.302 1.00 73.12 H new ATOM 1144 N GLU A 74 17.003 3.075 -3.542 1.00 25.41 N ATOM 1145 CA GLU A 74 15.742 3.523 -2.965 1.00 13.21 C ATOM 1146 C GLU A 74 14.619 3.459 -3.996 1.00 34.10 C ATOM 1147 O GLU A 74 13.469 3.168 -3.662 1.00 2.24 O ATOM 1148 CB GLU A 74 15.878 4.951 -2.432 1.00 22.13 C ATOM 1149 CG GLU A 74 15.476 5.097 -0.974 1.00 11.22 C ATOM 1150 CD GLU A 74 16.623 4.820 -0.021 1.00 72.25 C ATOM 1151 OE1 GLU A 74 16.901 3.631 0.241 1.00 34.31 O ATOM 1152 OE2 GLU A 74 17.242 5.791 0.461 1.00 21.42 O ATOM 0 H GLU A 74 17.724 3.795 -3.592 1.00 25.41 H new ATOM 0 HA GLU A 74 15.493 2.857 -2.139 1.00 13.21 H new ATOM 0 HB2 GLU A 74 16.911 5.277 -2.550 1.00 22.13 H new ATOM 0 HB3 GLU A 74 15.263 5.616 -3.038 1.00 22.13 H new ATOM 0 HG2 GLU A 74 15.103 6.107 -0.803 1.00 11.22 H new ATOM 0 HG3 GLU A 74 14.655 4.413 -0.757 1.00 11.22 H new ATOM 1159 N LEU A 75 14.959 3.733 -5.251 1.00 20.55 N ATOM 1160 CA LEU A 75 13.980 3.707 -6.332 1.00 22.41 C ATOM 1161 C LEU A 75 13.578 2.274 -6.668 1.00 51.21 C ATOM 1162 O LEU A 75 12.493 2.032 -7.197 1.00 31.53 O ATOM 1163 CB LEU A 75 14.546 4.395 -7.575 1.00 64.43 C ATOM 1164 CG LEU A 75 13.518 4.941 -8.567 1.00 25.21 C ATOM 1165 CD1 LEU A 75 13.787 6.409 -8.860 1.00 32.14 C ATOM 1166 CD2 LEU A 75 13.533 4.127 -9.853 1.00 4.31 C ATOM 0 H LEU A 75 15.905 3.976 -5.545 1.00 20.55 H new ATOM 0 HA LEU A 75 13.092 4.245 -5.999 1.00 22.41 H new ATOM 0 HB2 LEU A 75 15.182 5.219 -7.252 1.00 64.43 H new ATOM 0 HB3 LEU A 75 15.186 3.685 -8.099 1.00 64.43 H new ATOM 0 HG LEU A 75 12.528 4.856 -8.119 1.00 25.21 H new ATOM 0 HD11 LEU A 75 13.046 6.781 -9.568 1.00 32.14 H new ATOM 0 HD12 LEU A 75 13.725 6.982 -7.935 1.00 32.14 H new ATOM 0 HD13 LEU A 75 14.784 6.518 -9.288 1.00 32.14 H new ATOM 0 HD21 LEU A 75 12.795 4.530 -10.547 1.00 4.31 H new ATOM 0 HD22 LEU A 75 14.523 4.179 -10.305 1.00 4.31 H new ATOM 0 HD23 LEU A 75 13.291 3.088 -9.629 1.00 4.31 H new ATOM 1178 N ARG A 76 14.459 1.329 -6.356 1.00 54.11 N ATOM 1179 CA ARG A 76 14.195 -0.079 -6.624 1.00 72.52 C ATOM 1180 C ARG A 76 13.235 -0.659 -5.589 1.00 61.43 C ATOM 1181 O ARG A 76 12.348 -1.445 -5.922 1.00 53.24 O ATOM 1182 CB ARG A 76 15.502 -0.874 -6.625 1.00 21.01 C ATOM 1183 CG ARG A 76 15.953 -1.303 -8.011 1.00 63.14 C ATOM 1184 CD ARG A 76 16.700 -2.627 -7.969 1.00 73.34 C ATOM 1185 NE ARG A 76 16.449 -3.435 -9.160 1.00 44.34 N ATOM 1186 CZ ARG A 76 16.905 -3.123 -10.369 1.00 14.33 C ATOM 1187 NH1 ARG A 76 17.630 -2.027 -10.545 1.00 51.10 N ATOM 1188 NH2 ARG A 76 16.635 -3.908 -11.404 1.00 12.12 N ATOM 0 H ARG A 76 15.361 1.513 -5.918 1.00 54.11 H new ATOM 0 HA ARG A 76 13.731 -0.155 -7.607 1.00 72.52 H new ATOM 0 HB2 ARG A 76 16.285 -0.269 -6.168 1.00 21.01 H new ATOM 0 HB3 ARG A 76 15.379 -1.760 -6.002 1.00 21.01 H new ATOM 0 HG2 ARG A 76 15.086 -1.394 -8.665 1.00 63.14 H new ATOM 0 HG3 ARG A 76 16.596 -0.534 -8.440 1.00 63.14 H new ATOM 0 HD2 ARG A 76 17.770 -2.437 -7.879 1.00 73.34 H new ATOM 0 HD3 ARG A 76 16.399 -3.185 -7.082 1.00 73.34 H new ATOM 0 HE ARG A 76 15.894 -4.285 -9.058 1.00 44.34 H new ATOM 0 HH11 ARG A 76 17.839 -1.421 -9.752 1.00 51.10 H new ATOM 0 HH12 ARG A 76 17.979 -1.790 -11.474 1.00 51.10 H new ATOM 0 HH21 ARG A 76 16.077 -4.752 -11.272 1.00 12.12 H new ATOM 0 HH22 ARG A 76 16.985 -3.668 -12.331 1.00 12.12 H new ATOM 1202 N SER A 77 13.420 -0.267 -4.333 1.00 22.21 N ATOM 1203 CA SER A 77 12.574 -0.751 -3.248 1.00 61.24 C ATOM 1204 C SER A 77 11.130 -0.298 -3.442 1.00 61.35 C ATOM 1205 O SER A 77 10.192 -0.986 -3.037 1.00 53.43 O ATOM 1206 CB SER A 77 13.100 -0.252 -1.901 1.00 62.52 C ATOM 1207 OG SER A 77 13.804 0.968 -2.049 1.00 4.30 O ATOM 0 H SER A 77 14.148 0.385 -4.041 1.00 22.21 H new ATOM 0 HA SER A 77 12.600 -1.841 -3.259 1.00 61.24 H new ATOM 0 HB2 SER A 77 12.268 -0.114 -1.211 1.00 62.52 H new ATOM 0 HB3 SER A 77 13.757 -1.003 -1.462 1.00 62.52 H new ATOM 0 HG SER A 77 13.297 1.570 -2.633 1.00 4.30 H new ATOM 1213 N LEU A 78 10.960 0.863 -4.065 1.00 33.21 N ATOM 1214 CA LEU A 78 9.630 1.410 -4.314 1.00 23.51 C ATOM 1215 C LEU A 78 8.884 0.576 -5.351 1.00 44.32 C ATOM 1216 O LEU A 78 7.776 0.102 -5.101 1.00 51.30 O ATOM 1217 CB LEU A 78 9.735 2.860 -4.787 1.00 55.35 C ATOM 1218 CG LEU A 78 9.372 3.930 -3.757 1.00 50.41 C ATOM 1219 CD1 LEU A 78 7.969 3.699 -3.218 1.00 20.42 C ATOM 1220 CD2 LEU A 78 10.386 3.944 -2.623 1.00 20.44 C ATOM 0 H LEU A 78 11.726 1.444 -4.407 1.00 33.21 H new ATOM 0 HA LEU A 78 9.070 1.379 -3.380 1.00 23.51 H new ATOM 0 HB2 LEU A 78 10.757 3.039 -5.122 1.00 55.35 H new ATOM 0 HB3 LEU A 78 9.088 2.986 -5.655 1.00 55.35 H new ATOM 0 HG LEU A 78 9.394 4.902 -4.249 1.00 50.41 H new ATOM 0 HD11 LEU A 78 7.729 4.470 -2.486 1.00 20.42 H new ATOM 0 HD12 LEU A 78 7.253 3.741 -4.038 1.00 20.42 H new ATOM 0 HD13 LEU A 78 7.919 2.720 -2.742 1.00 20.42 H new ATOM 0 HD21 LEU A 78 10.112 4.712 -1.899 1.00 20.44 H new ATOM 0 HD22 LEU A 78 10.397 2.970 -2.133 1.00 20.44 H new ATOM 0 HD23 LEU A 78 11.377 4.160 -3.023 1.00 20.44 H new ATOM 1232 N TYR A 79 9.500 0.400 -6.515 1.00 3.32 N ATOM 1233 CA TYR A 79 8.895 -0.376 -7.590 1.00 53.24 C ATOM 1234 C TYR A 79 8.421 -1.734 -7.082 1.00 63.23 C ATOM 1235 O TYR A 79 7.347 -2.207 -7.451 1.00 64.32 O ATOM 1236 CB TYR A 79 9.892 -0.566 -8.734 1.00 61.14 C ATOM 1237 CG TYR A 79 9.238 -0.711 -10.090 1.00 23.31 C ATOM 1238 CD1 TYR A 79 8.512 0.334 -10.648 1.00 32.41 C ATOM 1239 CD2 TYR A 79 9.346 -1.893 -10.812 1.00 60.22 C ATOM 1240 CE1 TYR A 79 7.912 0.205 -11.886 1.00 1.41 C ATOM 1241 CE2 TYR A 79 8.751 -2.030 -12.051 1.00 51.24 C ATOM 1242 CZ TYR A 79 8.035 -0.978 -12.584 1.00 11.02 C ATOM 1243 OH TYR A 79 7.439 -1.111 -13.817 1.00 44.42 O ATOM 0 H TYR A 79 10.418 0.785 -6.738 1.00 3.32 H new ATOM 0 HA TYR A 79 8.030 0.175 -7.959 1.00 53.24 H new ATOM 0 HB2 TYR A 79 10.572 0.286 -8.757 1.00 61.14 H new ATOM 0 HB3 TYR A 79 10.496 -1.451 -8.535 1.00 61.14 H new ATOM 0 HD1 TYR A 79 8.415 1.263 -10.105 1.00 32.41 H new ATOM 0 HD2 TYR A 79 9.905 -2.719 -10.397 1.00 60.22 H new ATOM 0 HE1 TYR A 79 7.350 1.026 -12.305 1.00 1.41 H new ATOM 0 HE2 TYR A 79 8.846 -2.956 -12.599 1.00 51.24 H new ATOM 0 HH TYR A 79 7.623 -2.005 -14.175 1.00 44.42 H new ATOM 1253 N ASN A 80 9.232 -2.356 -6.232 1.00 11.20 N ATOM 1254 CA ASN A 80 8.897 -3.660 -5.672 1.00 22.12 C ATOM 1255 C ASN A 80 7.680 -3.563 -4.757 1.00 73.35 C ATOM 1256 O ASN A 80 6.916 -4.519 -4.618 1.00 21.44 O ATOM 1257 CB ASN A 80 10.088 -4.226 -4.896 1.00 2.24 C ATOM 1258 CG ASN A 80 10.891 -5.220 -5.712 1.00 73.31 C ATOM 1259 OD1 ASN A 80 10.699 -5.345 -6.922 1.00 4.12 O ATOM 1260 ND2 ASN A 80 11.795 -5.934 -5.052 1.00 61.30 N ATOM 0 H ASN A 80 10.125 -1.978 -5.916 1.00 11.20 H new ATOM 0 HA ASN A 80 8.657 -4.331 -6.497 1.00 22.12 H new ATOM 0 HB2 ASN A 80 10.737 -3.408 -4.585 1.00 2.24 H new ATOM 0 HB3 ASN A 80 9.729 -4.711 -3.988 1.00 2.24 H new ATOM 0 HD21 ASN A 80 12.365 -6.620 -5.548 1.00 61.30 H new ATOM 0 HD22 ASN A 80 11.920 -5.797 -4.049 1.00 61.30 H new ATOM 1267 N THR A 81 7.504 -2.401 -4.136 1.00 74.05 N ATOM 1268 CA THR A 81 6.380 -2.178 -3.235 1.00 70.53 C ATOM 1269 C THR A 81 5.125 -1.789 -4.007 1.00 52.35 C ATOM 1270 O THR A 81 4.115 -2.492 -3.965 1.00 22.40 O ATOM 1271 CB THR A 81 6.696 -1.079 -2.204 1.00 24.34 C ATOM 1272 OG1 THR A 81 7.940 -1.362 -1.553 1.00 0.05 O ATOM 1273 CG2 THR A 81 5.588 -0.975 -1.167 1.00 52.42 C ATOM 0 H THR A 81 8.126 -1.599 -4.241 1.00 74.05 H new ATOM 0 HA THR A 81 6.204 -3.118 -2.711 1.00 70.53 H new ATOM 0 HB THR A 81 6.769 -0.128 -2.731 1.00 24.34 H new ATOM 0 HG1 THR A 81 8.682 -1.135 -2.152 1.00 0.05 H new ATOM 0 HG21 THR A 81 5.834 -0.192 -0.449 1.00 52.42 H new ATOM 0 HG22 THR A 81 4.648 -0.732 -1.662 1.00 52.42 H new ATOM 0 HG23 THR A 81 5.487 -1.927 -0.645 1.00 52.42 H new ATOM 1281 N ILE A 82 5.195 -0.665 -4.713 1.00 13.34 N ATOM 1282 CA ILE A 82 4.064 -0.183 -5.496 1.00 34.12 C ATOM 1283 C ILE A 82 3.488 -1.292 -6.369 1.00 71.53 C ATOM 1284 O ILE A 82 2.279 -1.359 -6.590 1.00 10.52 O ATOM 1285 CB ILE A 82 4.464 1.004 -6.391 1.00 53.50 C ATOM 1286 CG1 ILE A 82 4.996 2.158 -5.538 1.00 34.11 C ATOM 1287 CG2 ILE A 82 3.277 1.460 -7.227 1.00 44.35 C ATOM 1288 CD1 ILE A 82 5.907 3.098 -6.294 1.00 45.33 C ATOM 0 H ILE A 82 6.023 -0.071 -4.759 1.00 13.34 H new ATOM 0 HA ILE A 82 3.306 0.148 -4.786 1.00 34.12 H new ATOM 0 HB ILE A 82 5.257 0.680 -7.066 1.00 53.50 H new ATOM 0 HG12 ILE A 82 4.153 2.723 -5.140 1.00 34.11 H new ATOM 0 HG13 ILE A 82 5.537 1.749 -4.685 1.00 34.11 H new ATOM 0 HG21 ILE A 82 3.575 2.300 -7.855 1.00 44.35 H new ATOM 0 HG22 ILE A 82 2.939 0.638 -7.858 1.00 44.35 H new ATOM 0 HG23 ILE A 82 2.466 1.769 -6.568 1.00 44.35 H new ATOM 0 HD11 ILE A 82 6.246 3.891 -5.627 1.00 45.33 H new ATOM 0 HD12 ILE A 82 6.769 2.546 -6.669 1.00 45.33 H new ATOM 0 HD13 ILE A 82 5.364 3.536 -7.132 1.00 45.33 H new ATOM 1300 N ALA A 83 4.362 -2.163 -6.863 1.00 20.42 N ATOM 1301 CA ALA A 83 3.940 -3.273 -7.709 1.00 43.21 C ATOM 1302 C ALA A 83 2.986 -4.200 -6.964 1.00 51.20 C ATOM 1303 O ALA A 83 2.009 -4.688 -7.532 1.00 61.40 O ATOM 1304 CB ALA A 83 5.152 -4.048 -8.206 1.00 12.13 C ATOM 0 H ALA A 83 5.367 -2.121 -6.692 1.00 20.42 H new ATOM 0 HA ALA A 83 3.408 -2.862 -8.567 1.00 43.21 H new ATOM 0 HB1 ALA A 83 4.822 -4.874 -8.836 1.00 12.13 H new ATOM 0 HB2 ALA A 83 5.796 -3.385 -8.784 1.00 12.13 H new ATOM 0 HB3 ALA A 83 5.707 -4.441 -7.354 1.00 12.13 H new ATOM 1310 N VAL A 84 3.275 -4.439 -5.689 1.00 3.32 N ATOM 1311 CA VAL A 84 2.442 -5.307 -4.866 1.00 23.24 C ATOM 1312 C VAL A 84 1.079 -4.676 -4.606 1.00 2.02 C ATOM 1313 O VAL A 84 0.070 -5.374 -4.497 1.00 50.15 O ATOM 1314 CB VAL A 84 3.117 -5.618 -3.517 1.00 24.24 C ATOM 1315 CG1 VAL A 84 2.232 -6.522 -2.672 1.00 10.30 C ATOM 1316 CG2 VAL A 84 4.483 -6.252 -3.738 1.00 14.40 C ATOM 0 H VAL A 84 4.080 -4.043 -5.204 1.00 3.32 H new ATOM 0 HA VAL A 84 2.309 -6.236 -5.420 1.00 23.24 H new ATOM 0 HB VAL A 84 3.259 -4.681 -2.978 1.00 24.24 H new ATOM 0 HG11 VAL A 84 2.726 -6.731 -1.723 1.00 10.30 H new ATOM 0 HG12 VAL A 84 1.280 -6.026 -2.484 1.00 10.30 H new ATOM 0 HG13 VAL A 84 2.056 -7.458 -3.203 1.00 10.30 H new ATOM 0 HG21 VAL A 84 4.945 -6.465 -2.774 1.00 14.40 H new ATOM 0 HG22 VAL A 84 4.367 -7.180 -4.298 1.00 14.40 H new ATOM 0 HG23 VAL A 84 5.116 -5.566 -4.300 1.00 14.40 H new ATOM 1326 N LEU A 85 1.056 -3.351 -4.507 1.00 20.50 N ATOM 1327 CA LEU A 85 -0.184 -2.624 -4.260 1.00 73.22 C ATOM 1328 C LEU A 85 -1.122 -2.725 -5.459 1.00 13.11 C ATOM 1329 O LEU A 85 -2.257 -3.185 -5.335 1.00 35.22 O ATOM 1330 CB LEU A 85 0.115 -1.156 -3.954 1.00 53.41 C ATOM 1331 CG LEU A 85 -1.091 -0.284 -3.602 1.00 75.24 C ATOM 1332 CD1 LEU A 85 -1.596 -0.610 -2.205 1.00 73.24 C ATOM 1333 CD2 LEU A 85 -0.734 1.191 -3.711 1.00 63.15 C ATOM 0 H LEU A 85 1.882 -2.759 -4.594 1.00 20.50 H new ATOM 0 HA LEU A 85 -0.676 -3.075 -3.398 1.00 73.22 H new ATOM 0 HB2 LEU A 85 0.822 -1.115 -3.125 1.00 53.41 H new ATOM 0 HB3 LEU A 85 0.613 -0.719 -4.820 1.00 53.41 H new ATOM 0 HG LEU A 85 -1.889 -0.497 -4.314 1.00 75.24 H new ATOM 0 HD11 LEU A 85 -2.454 0.020 -1.972 1.00 73.24 H new ATOM 0 HD12 LEU A 85 -1.893 -1.658 -2.161 1.00 73.24 H new ATOM 0 HD13 LEU A 85 -0.803 -0.426 -1.480 1.00 73.24 H new ATOM 0 HD21 LEU A 85 -1.604 1.796 -3.457 1.00 63.15 H new ATOM 0 HD22 LEU A 85 0.080 1.420 -3.023 1.00 63.15 H new ATOM 0 HD23 LEU A 85 -0.422 1.415 -4.731 1.00 63.15 H new ATOM 1345 N TYR A 86 -0.640 -2.293 -6.619 1.00 24.52 N ATOM 1346 CA TYR A 86 -1.435 -2.335 -7.840 1.00 42.33 C ATOM 1347 C TYR A 86 -2.129 -3.685 -7.993 1.00 11.40 C ATOM 1348 O TYR A 86 -3.291 -3.756 -8.395 1.00 51.41 O ATOM 1349 CB TYR A 86 -0.551 -2.063 -9.059 1.00 1.44 C ATOM 1350 CG TYR A 86 -1.255 -2.282 -10.379 1.00 10.24 C ATOM 1351 CD1 TYR A 86 -2.064 -1.295 -10.929 1.00 63.55 C ATOM 1352 CD2 TYR A 86 -1.111 -3.475 -11.075 1.00 64.34 C ATOM 1353 CE1 TYR A 86 -2.709 -1.492 -12.135 1.00 14.12 C ATOM 1354 CE2 TYR A 86 -1.751 -3.680 -12.282 1.00 53.11 C ATOM 1355 CZ TYR A 86 -2.550 -2.686 -12.807 1.00 41.53 C ATOM 1356 OH TYR A 86 -3.190 -2.884 -14.009 1.00 33.50 O ATOM 0 H TYR A 86 0.298 -1.910 -6.739 1.00 24.52 H new ATOM 0 HA TYR A 86 -2.198 -1.560 -7.772 1.00 42.33 H new ATOM 0 HB2 TYR A 86 -0.192 -1.035 -9.015 1.00 1.44 H new ATOM 0 HB3 TYR A 86 0.326 -2.709 -9.013 1.00 1.44 H new ATOM 0 HD1 TYR A 86 -2.191 -0.359 -10.405 1.00 63.55 H new ATOM 0 HD2 TYR A 86 -0.488 -4.256 -10.666 1.00 64.34 H new ATOM 0 HE1 TYR A 86 -3.334 -0.715 -12.549 1.00 14.12 H new ATOM 0 HE2 TYR A 86 -1.626 -4.613 -12.811 1.00 53.11 H new ATOM 0 HH TYR A 86 -2.973 -3.776 -14.352 1.00 33.50 H new ATOM 1366 N CYS A 87 -1.409 -4.753 -7.669 1.00 11.44 N ATOM 1367 CA CYS A 87 -1.954 -6.102 -7.769 1.00 54.23 C ATOM 1368 C CYS A 87 -3.088 -6.306 -6.770 1.00 13.21 C ATOM 1369 O CYS A 87 -4.087 -6.959 -7.073 1.00 21.03 O ATOM 1370 CB CYS A 87 -0.855 -7.138 -7.530 1.00 50.32 C ATOM 1371 SG CYS A 87 0.317 -7.300 -8.898 1.00 15.12 S ATOM 0 H CYS A 87 -0.446 -4.711 -7.335 1.00 11.44 H new ATOM 0 HA CYS A 87 -2.353 -6.232 -8.775 1.00 54.23 H new ATOM 0 HB2 CYS A 87 -0.308 -6.869 -6.627 1.00 50.32 H new ATOM 0 HB3 CYS A 87 -1.318 -8.107 -7.346 1.00 50.32 H new ATOM 0 HG CYS A 87 1.248 -6.400 -8.781 1.00 15.12 H new ATOM 1377 N VAL A 88 -2.926 -5.744 -5.576 1.00 55.22 N ATOM 1378 CA VAL A 88 -3.936 -5.864 -4.531 1.00 71.22 C ATOM 1379 C VAL A 88 -5.224 -5.150 -4.926 1.00 43.02 C ATOM 1380 O VAL A 88 -6.322 -5.603 -4.603 1.00 72.43 O ATOM 1381 CB VAL A 88 -3.432 -5.289 -3.195 1.00 2.44 C ATOM 1382 CG1 VAL A 88 -4.523 -5.359 -2.137 1.00 61.11 C ATOM 1383 CG2 VAL A 88 -2.183 -6.026 -2.734 1.00 75.14 C ATOM 0 H VAL A 88 -2.105 -5.201 -5.308 1.00 55.22 H new ATOM 0 HA VAL A 88 -4.138 -6.928 -4.407 1.00 71.22 H new ATOM 0 HB VAL A 88 -3.173 -4.241 -3.346 1.00 2.44 H new ATOM 0 HG11 VAL A 88 -4.148 -4.948 -1.200 1.00 61.11 H new ATOM 0 HG12 VAL A 88 -5.387 -4.782 -2.466 1.00 61.11 H new ATOM 0 HG13 VAL A 88 -4.817 -6.398 -1.986 1.00 61.11 H new ATOM 0 HG21 VAL A 88 -1.841 -5.606 -1.788 1.00 75.14 H new ATOM 0 HG22 VAL A 88 -2.413 -7.083 -2.600 1.00 75.14 H new ATOM 0 HG23 VAL A 88 -1.399 -5.918 -3.484 1.00 75.14 H new ATOM 1393 N HIS A 89 -5.081 -4.030 -5.628 1.00 14.25 N ATOM 1394 CA HIS A 89 -6.234 -3.251 -6.069 1.00 21.42 C ATOM 1395 C HIS A 89 -6.881 -3.888 -7.295 1.00 61.44 C ATOM 1396 O HIS A 89 -8.084 -3.693 -7.464 1.00 71.05 O ATOM 1397 CB HIS A 89 -5.815 -1.816 -6.387 1.00 53.41 C ATOM 1398 CG HIS A 89 -5.388 -1.036 -5.182 1.00 5.42 C ATOM 1399 ND1 HIS A 89 -5.914 -1.244 -3.925 1.00 10.13 N ATOM 1400 CD2 HIS A 89 -4.477 -0.043 -5.047 1.00 21.44 C ATOM 1401 CE1 HIS A 89 -5.346 -0.413 -3.069 1.00 12.11 C ATOM 1402 NE2 HIS A 89 -4.470 0.326 -3.725 1.00 4.12 N ATOM 0 H HIS A 89 -4.179 -3.641 -5.904 1.00 14.25 H new ATOM 0 HA HIS A 89 -6.964 -3.237 -5.260 1.00 21.42 H new ATOM 0 HB2 HIS A 89 -4.996 -1.836 -7.106 1.00 53.41 H new ATOM 0 HB3 HIS A 89 -6.647 -1.301 -6.867 1.00 53.41 H new ATOM 0 HD2 HIS A 89 -3.869 0.380 -5.833 1.00 21.44 H new ATOM 0 HE1 HIS A 89 -5.561 -0.349 -2.013 1.00 12.11 H new ATOM 0 HE2 HIS A 89 -3.883 1.053 -3.316 1.00 4.12 H new ATOM 1411 N GLN A 90 -6.142 -4.618 -8.125 1.00 23.14 N ATOM 1412 CA GLN A 90 -6.716 -5.245 -9.309 1.00 54.11 C ATOM 1413 C GLN A 90 -7.253 -6.635 -8.983 1.00 64.04 C ATOM 1414 O GLN A 90 -7.526 -7.432 -9.881 1.00 43.45 O ATOM 1415 CB GLN A 90 -5.671 -5.336 -10.422 1.00 22.32 C ATOM 1416 CG GLN A 90 -6.061 -4.587 -11.686 1.00 24.40 C ATOM 1417 CD GLN A 90 -5.885 -3.088 -11.553 1.00 51.54 C ATOM 1418 OE1 GLN A 90 -5.028 -2.615 -10.806 1.00 13.21 O ATOM 1419 NE2 GLN A 90 -6.698 -2.330 -12.280 1.00 42.52 N ATOM 0 H GLN A 90 -5.144 -4.789 -7.999 1.00 23.14 H new ATOM 0 HA GLN A 90 -7.546 -4.626 -9.650 1.00 54.11 H new ATOM 0 HB2 GLN A 90 -4.724 -4.941 -10.053 1.00 22.32 H new ATOM 0 HB3 GLN A 90 -5.505 -6.385 -10.668 1.00 22.32 H new ATOM 0 HG2 GLN A 90 -5.457 -4.948 -12.519 1.00 24.40 H new ATOM 0 HG3 GLN A 90 -7.101 -4.807 -11.928 1.00 24.40 H new ATOM 0 HE21 GLN A 90 -7.394 -2.764 -12.886 1.00 42.52 H new ATOM 0 HE22 GLN A 90 -6.626 -1.314 -12.232 1.00 42.52 H new ATOM 1428 N ARG A 91 -7.400 -6.920 -7.694 1.00 13.33 N ATOM 1429 CA ARG A 91 -7.902 -8.214 -7.250 1.00 32.53 C ATOM 1430 C ARG A 91 -6.940 -9.333 -7.639 1.00 31.11 C ATOM 1431 O ARG A 91 -7.299 -10.511 -7.613 1.00 10.32 O ATOM 1432 CB ARG A 91 -9.283 -8.483 -7.850 1.00 73.23 C ATOM 1433 CG ARG A 91 -10.062 -9.568 -7.125 1.00 15.24 C ATOM 1434 CD ARG A 91 -11.053 -8.975 -6.134 1.00 44.34 C ATOM 1435 NE ARG A 91 -10.908 -9.555 -4.802 1.00 1.41 N ATOM 1436 CZ ARG A 91 -11.477 -9.047 -3.714 1.00 22.30 C ATOM 1437 NH1 ARG A 91 -12.225 -7.956 -3.800 1.00 42.05 N ATOM 1438 NH2 ARG A 91 -11.298 -9.632 -2.536 1.00 73.13 N ATOM 0 H ARG A 91 -7.178 -6.272 -6.938 1.00 13.33 H new ATOM 0 HA ARG A 91 -7.984 -8.190 -6.163 1.00 32.53 H new ATOM 0 HB2 ARG A 91 -9.862 -7.560 -7.835 1.00 73.23 H new ATOM 0 HB3 ARG A 91 -9.166 -8.769 -8.895 1.00 73.23 H new ATOM 0 HG2 ARG A 91 -10.595 -10.182 -7.851 1.00 15.24 H new ATOM 0 HG3 ARG A 91 -9.369 -10.225 -6.599 1.00 15.24 H new ATOM 0 HD2 ARG A 91 -10.908 -7.896 -6.077 1.00 44.34 H new ATOM 0 HD3 ARG A 91 -12.069 -9.141 -6.493 1.00 44.34 H new ATOM 0 HE ARG A 91 -10.339 -10.396 -4.701 1.00 1.41 H new ATOM 0 HH11 ARG A 91 -12.365 -7.504 -4.703 1.00 42.05 H new ATOM 0 HH12 ARG A 91 -12.660 -7.569 -2.963 1.00 42.05 H new ATOM 0 HH21 ARG A 91 -10.723 -10.472 -2.466 1.00 73.13 H new ATOM 0 HH22 ARG A 91 -11.735 -9.242 -1.701 1.00 73.13 H new ATOM 1452 N ILE A 92 -5.718 -8.956 -7.999 1.00 70.45 N ATOM 1453 CA ILE A 92 -4.705 -9.928 -8.393 1.00 41.43 C ATOM 1454 C ILE A 92 -3.874 -10.372 -7.194 1.00 73.43 C ATOM 1455 O ILE A 92 -3.373 -9.546 -6.432 1.00 51.52 O ATOM 1456 CB ILE A 92 -3.765 -9.355 -9.471 1.00 20.23 C ATOM 1457 CG1 ILE A 92 -4.560 -8.972 -10.721 1.00 1.14 C ATOM 1458 CG2 ILE A 92 -2.679 -10.363 -9.816 1.00 3.15 C ATOM 1459 CD1 ILE A 92 -3.747 -8.208 -11.743 1.00 34.32 C ATOM 0 H ILE A 92 -5.405 -7.986 -8.026 1.00 70.45 H new ATOM 0 HA ILE A 92 -5.235 -10.788 -8.804 1.00 41.43 H new ATOM 0 HB ILE A 92 -3.289 -8.457 -9.077 1.00 20.23 H new ATOM 0 HG12 ILE A 92 -4.952 -9.877 -11.184 1.00 1.14 H new ATOM 0 HG13 ILE A 92 -5.418 -8.368 -10.425 1.00 1.14 H new ATOM 0 HG21 ILE A 92 -2.023 -9.944 -10.579 1.00 3.15 H new ATOM 0 HG22 ILE A 92 -2.098 -10.591 -8.923 1.00 3.15 H new ATOM 0 HG23 ILE A 92 -3.138 -11.277 -10.194 1.00 3.15 H new ATOM 0 HD11 ILE A 92 -4.374 -7.970 -12.602 1.00 34.32 H new ATOM 0 HD12 ILE A 92 -3.376 -7.285 -11.297 1.00 34.32 H new ATOM 0 HD13 ILE A 92 -2.904 -8.818 -12.067 1.00 34.32 H new ATOM 1471 N ASP A 93 -3.731 -11.683 -7.034 1.00 74.44 N ATOM 1472 CA ASP A 93 -2.959 -12.239 -5.930 1.00 24.24 C ATOM 1473 C ASP A 93 -1.595 -12.725 -6.411 1.00 21.14 C ATOM 1474 O ASP A 93 -1.502 -13.672 -7.191 1.00 64.25 O ATOM 1475 CB ASP A 93 -3.722 -13.391 -5.274 1.00 10.22 C ATOM 1476 CG ASP A 93 -3.605 -13.377 -3.762 1.00 50.53 C ATOM 1477 OD1 ASP A 93 -2.477 -13.546 -3.252 1.00 75.35 O ATOM 1478 OD2 ASP A 93 -4.641 -13.195 -3.089 1.00 42.32 O ATOM 0 H ASP A 93 -4.140 -12.381 -7.656 1.00 74.44 H new ATOM 0 HA ASP A 93 -2.805 -11.450 -5.194 1.00 24.24 H new ATOM 0 HB2 ASP A 93 -4.774 -13.333 -5.555 1.00 10.22 H new ATOM 0 HB3 ASP A 93 -3.342 -14.339 -5.656 1.00 10.22 H new ATOM 1483 N VAL A 94 -0.539 -12.069 -5.940 1.00 22.32 N ATOM 1484 CA VAL A 94 0.820 -12.434 -6.322 1.00 22.24 C ATOM 1485 C VAL A 94 1.392 -13.486 -5.378 1.00 64.11 C ATOM 1486 O VAL A 94 0.775 -13.836 -4.372 1.00 0.31 O ATOM 1487 CB VAL A 94 1.750 -11.206 -6.328 1.00 61.34 C ATOM 1488 CG1 VAL A 94 1.243 -10.157 -7.306 1.00 74.41 C ATOM 1489 CG2 VAL A 94 1.875 -10.626 -4.928 1.00 42.50 C ATOM 0 H VAL A 94 -0.599 -11.282 -5.293 1.00 22.32 H new ATOM 0 HA VAL A 94 0.766 -12.845 -7.330 1.00 22.24 H new ATOM 0 HB VAL A 94 2.740 -11.523 -6.654 1.00 61.34 H new ATOM 0 HG11 VAL A 94 1.913 -9.297 -7.297 1.00 74.41 H new ATOM 0 HG12 VAL A 94 1.211 -10.581 -8.310 1.00 74.41 H new ATOM 0 HG13 VAL A 94 0.242 -9.841 -7.013 1.00 74.41 H new ATOM 0 HG21 VAL A 94 2.536 -9.759 -4.951 1.00 42.50 H new ATOM 0 HG22 VAL A 94 0.891 -10.323 -4.571 1.00 42.50 H new ATOM 0 HG23 VAL A 94 2.288 -11.380 -4.258 1.00 42.50 H new ATOM 1499 N LYS A 95 2.577 -13.988 -5.709 1.00 63.03 N ATOM 1500 CA LYS A 95 3.236 -15.000 -4.891 1.00 51.54 C ATOM 1501 C LYS A 95 4.331 -14.376 -4.033 1.00 25.05 C ATOM 1502 O LYS A 95 4.706 -14.922 -2.994 1.00 53.14 O ATOM 1503 CB LYS A 95 3.831 -16.095 -5.779 1.00 53.13 C ATOM 1504 CG LYS A 95 2.855 -17.214 -6.101 1.00 2.14 C ATOM 1505 CD LYS A 95 2.721 -17.423 -7.600 1.00 32.45 C ATOM 1506 CE LYS A 95 2.294 -18.846 -7.928 1.00 14.25 C ATOM 1507 NZ LYS A 95 2.052 -19.030 -9.385 1.00 73.13 N ATOM 0 H LYS A 95 3.101 -13.710 -6.539 1.00 63.03 H new ATOM 0 HA LYS A 95 2.489 -15.442 -4.232 1.00 51.54 H new ATOM 0 HB2 LYS A 95 4.178 -15.647 -6.710 1.00 53.13 H new ATOM 0 HB3 LYS A 95 4.705 -16.518 -5.284 1.00 53.13 H new ATOM 0 HG2 LYS A 95 3.193 -18.138 -5.633 1.00 2.14 H new ATOM 0 HG3 LYS A 95 1.879 -16.980 -5.677 1.00 2.14 H new ATOM 0 HD2 LYS A 95 1.991 -16.721 -8.003 1.00 32.45 H new ATOM 0 HD3 LYS A 95 3.673 -17.206 -8.085 1.00 32.45 H new ATOM 0 HE2 LYS A 95 3.065 -19.542 -7.597 1.00 14.25 H new ATOM 0 HE3 LYS A 95 1.386 -19.089 -7.375 1.00 14.25 H new ATOM 0 HZ1 LYS A 95 1.763 -20.012 -9.568 1.00 73.13 H new ATOM 0 HZ2 LYS A 95 1.299 -18.384 -9.696 1.00 73.13 H new ATOM 0 HZ3 LYS A 95 2.925 -18.823 -9.911 1.00 73.13 H new ATOM 1521 N ASP A 96 4.840 -13.230 -4.471 1.00 64.12 N ATOM 1522 CA ASP A 96 5.891 -12.531 -3.741 1.00 4.10 C ATOM 1523 C ASP A 96 6.316 -11.265 -4.479 1.00 14.35 C ATOM 1524 O ASP A 96 5.804 -10.960 -5.556 1.00 41.45 O ATOM 1525 CB ASP A 96 7.099 -13.448 -3.540 1.00 50.21 C ATOM 1526 CG ASP A 96 7.264 -14.444 -4.671 1.00 43.43 C ATOM 1527 OD1 ASP A 96 7.449 -14.005 -5.826 1.00 53.11 O ATOM 1528 OD2 ASP A 96 7.210 -15.662 -4.402 1.00 2.54 O ATOM 0 H ASP A 96 4.542 -12.765 -5.328 1.00 64.12 H new ATOM 0 HA ASP A 96 5.494 -12.246 -2.766 1.00 4.10 H new ATOM 0 HB2 ASP A 96 8.002 -12.842 -3.458 1.00 50.21 H new ATOM 0 HB3 ASP A 96 6.990 -13.986 -2.599 1.00 50.21 H new ATOM 1533 N THR A 97 7.254 -10.529 -3.890 1.00 72.20 N ATOM 1534 CA THR A 97 7.745 -9.295 -4.489 1.00 62.05 C ATOM 1535 C THR A 97 8.392 -9.561 -5.844 1.00 75.12 C ATOM 1536 O THR A 97 8.716 -8.631 -6.583 1.00 1.25 O ATOM 1537 CB THR A 97 8.767 -8.594 -3.575 1.00 23.34 C ATOM 1538 OG1 THR A 97 8.216 -8.425 -2.264 1.00 25.43 O ATOM 1539 CG2 THR A 97 9.162 -7.240 -4.143 1.00 5.54 C ATOM 0 H THR A 97 7.689 -10.767 -2.998 1.00 72.20 H new ATOM 0 HA THR A 97 6.881 -8.644 -4.623 1.00 62.05 H new ATOM 0 HB THR A 97 9.658 -9.219 -3.517 1.00 23.34 H new ATOM 0 HG1 THR A 97 8.841 -8.781 -1.598 1.00 25.43 H new ATOM 0 HG21 THR A 97 9.885 -6.764 -3.480 1.00 5.54 H new ATOM 0 HG22 THR A 97 9.608 -7.375 -5.129 1.00 5.54 H new ATOM 0 HG23 THR A 97 8.277 -6.609 -4.228 1.00 5.54 H new ATOM 1547 N LYS A 98 8.576 -10.837 -6.166 1.00 54.13 N ATOM 1548 CA LYS A 98 9.182 -11.227 -7.434 1.00 15.21 C ATOM 1549 C LYS A 98 8.117 -11.418 -8.510 1.00 2.23 C ATOM 1550 O LYS A 98 8.140 -10.750 -9.543 1.00 63.20 O ATOM 1551 CB LYS A 98 9.986 -12.517 -7.263 1.00 21.34 C ATOM 1552 CG LYS A 98 10.823 -12.878 -8.478 1.00 2.04 C ATOM 1553 CD LYS A 98 11.941 -11.873 -8.703 1.00 33.41 C ATOM 1554 CE LYS A 98 13.262 -12.566 -8.999 1.00 31.50 C ATOM 1555 NZ LYS A 98 14.428 -11.689 -8.701 1.00 55.12 N ATOM 0 H LYS A 98 8.314 -11.619 -5.566 1.00 54.13 H new ATOM 0 HA LYS A 98 9.852 -10.427 -7.749 1.00 15.21 H new ATOM 0 HB2 LYS A 98 10.642 -12.415 -6.398 1.00 21.34 H new ATOM 0 HB3 LYS A 98 9.300 -13.337 -7.048 1.00 21.34 H new ATOM 0 HG2 LYS A 98 11.248 -13.873 -8.346 1.00 2.04 H new ATOM 0 HG3 LYS A 98 10.186 -12.918 -9.361 1.00 2.04 H new ATOM 0 HD2 LYS A 98 11.680 -11.216 -9.533 1.00 33.41 H new ATOM 0 HD3 LYS A 98 12.049 -11.243 -7.820 1.00 33.41 H new ATOM 0 HE2 LYS A 98 13.334 -13.479 -8.407 1.00 31.50 H new ATOM 0 HE3 LYS A 98 13.289 -12.863 -10.047 1.00 31.50 H new ATOM 0 HZ1 LYS A 98 15.309 -12.198 -8.916 1.00 55.12 H new ATOM 0 HZ2 LYS A 98 14.374 -10.829 -9.284 1.00 55.12 H new ATOM 0 HZ3 LYS A 98 14.417 -11.426 -7.695 1.00 55.12 H new ATOM 1569 N GLU A 99 7.186 -12.332 -8.258 1.00 75.25 N ATOM 1570 CA GLU A 99 6.113 -12.609 -9.207 1.00 32.25 C ATOM 1571 C GLU A 99 5.265 -11.364 -9.448 1.00 10.41 C ATOM 1572 O GLU A 99 4.625 -11.228 -10.490 1.00 73.10 O ATOM 1573 CB GLU A 99 5.230 -13.749 -8.693 1.00 40.31 C ATOM 1574 CG GLU A 99 4.303 -14.324 -9.750 1.00 53.14 C ATOM 1575 CD GLU A 99 4.904 -15.517 -10.467 1.00 62.31 C ATOM 1576 OE1 GLU A 99 5.658 -16.278 -9.825 1.00 11.22 O ATOM 1577 OE2 GLU A 99 4.620 -15.690 -11.671 1.00 23.30 O ATOM 0 H GLU A 99 7.152 -12.893 -7.407 1.00 75.25 H new ATOM 0 HA GLU A 99 6.566 -12.907 -10.152 1.00 32.25 H new ATOM 0 HB2 GLU A 99 5.867 -14.545 -8.308 1.00 40.31 H new ATOM 0 HB3 GLU A 99 4.633 -13.386 -7.857 1.00 40.31 H new ATOM 0 HG2 GLU A 99 3.365 -14.621 -9.282 1.00 53.14 H new ATOM 0 HG3 GLU A 99 4.064 -13.549 -10.479 1.00 53.14 H new ATOM 1584 N ALA A 100 5.266 -10.457 -8.476 1.00 41.23 N ATOM 1585 CA ALA A 100 4.499 -9.222 -8.583 1.00 0.00 C ATOM 1586 C ALA A 100 5.157 -8.249 -9.555 1.00 62.14 C ATOM 1587 O ALA A 100 4.525 -7.778 -10.502 1.00 12.03 O ATOM 1588 CB ALA A 100 4.343 -8.578 -7.213 1.00 51.34 C ATOM 0 H ALA A 100 5.789 -10.555 -7.606 1.00 41.23 H new ATOM 0 HA ALA A 100 3.511 -9.469 -8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.768 -7.657 -7.307 1.00 51.34 H new ATOM 0 HB2 ALA A 100 3.822 -9.264 -6.546 1.00 51.34 H new ATOM 0 HB3 ALA A 100 5.327 -8.351 -6.803 1.00 51.34 H new ATOM 1594 N LEU A 101 6.430 -7.951 -9.317 1.00 35.34 N ATOM 1595 CA LEU A 101 7.174 -7.033 -10.172 1.00 31.14 C ATOM 1596 C LEU A 101 7.189 -7.525 -11.615 1.00 44.14 C ATOM 1597 O LEU A 101 6.964 -6.752 -12.547 1.00 65.43 O ATOM 1598 CB LEU A 101 8.607 -6.876 -9.659 1.00 55.30 C ATOM 1599 CG LEU A 101 9.238 -5.496 -9.845 1.00 43.25 C ATOM 1600 CD1 LEU A 101 9.351 -5.156 -11.323 1.00 42.44 C ATOM 1601 CD2 LEU A 101 8.429 -4.435 -9.113 1.00 24.55 C ATOM 0 H LEU A 101 6.968 -8.332 -8.539 1.00 35.34 H new ATOM 0 HA LEU A 101 6.676 -6.064 -10.144 1.00 31.14 H new ATOM 0 HB2 LEU A 101 8.620 -7.119 -8.597 1.00 55.30 H new ATOM 0 HB3 LEU A 101 9.235 -7.611 -10.162 1.00 55.30 H new ATOM 0 HG LEU A 101 10.241 -5.517 -9.419 1.00 43.25 H new ATOM 0 HD11 LEU A 101 9.802 -4.170 -11.436 1.00 42.44 H new ATOM 0 HD12 LEU A 101 9.974 -5.899 -11.821 1.00 42.44 H new ATOM 0 HD13 LEU A 101 8.358 -5.154 -11.773 1.00 42.44 H new ATOM 0 HD21 LEU A 101 8.894 -3.460 -9.257 1.00 24.55 H new ATOM 0 HD22 LEU A 101 7.413 -4.415 -9.508 1.00 24.55 H new ATOM 0 HD23 LEU A 101 8.400 -4.669 -8.049 1.00 24.55 H new ATOM 1613 N ASP A 102 7.454 -8.815 -11.793 1.00 1.53 N ATOM 1614 CA ASP A 102 7.496 -9.411 -13.123 1.00 14.21 C ATOM 1615 C ASP A 102 6.116 -9.382 -13.774 1.00 65.14 C ATOM 1616 O ASP A 102 5.989 -9.130 -14.973 1.00 10.23 O ATOM 1617 CB ASP A 102 8.006 -10.850 -13.044 1.00 63.32 C ATOM 1618 CG ASP A 102 9.239 -11.075 -13.898 1.00 0.24 C ATOM 1619 OD1 ASP A 102 9.137 -10.936 -15.134 1.00 61.33 O ATOM 1620 OD2 ASP A 102 10.306 -11.390 -13.329 1.00 15.21 O ATOM 0 H ASP A 102 7.643 -9.468 -11.032 1.00 1.53 H new ATOM 0 HA ASP A 102 8.180 -8.825 -13.736 1.00 14.21 H new ATOM 0 HB2 ASP A 102 8.236 -11.094 -12.007 1.00 63.32 H new ATOM 0 HB3 ASP A 102 7.217 -11.530 -13.364 1.00 63.32 H new