USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 712 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 35 CYS SG : rot -1:sc= 0.053 USER MOD Set 1.2: A 85 CYS SG : rot 117:sc= 1.25 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -42:sc= 0.00853 USER MOD Single : A 47 THR OG1 : rot -48:sc= 1.02 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0815 USER MOD Single : A 62 GLN : amide:sc= -0.72 K(o=-0.72,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0.593 (180deg=0.582) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.527 K(o=-0.53,f=-3.2!) USER MOD Single : A 80 SER OG : rot -94:sc= 1.13 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -170:sc= -0.0942 USER MOD Single : A 93 SER OG : rot 170:sc= 0 USER MOD Single : A 95 THR OG1 : rot -10:sc= 1.15 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N TRP A 13 11.307 -14.158 -4.510 1.00 0.00 N ATOM 131 CA TRP A 13 11.398 -12.795 -5.020 1.00 0.00 C ATOM 132 C TRP A 13 11.213 -11.779 -3.898 1.00 0.00 C ATOM 133 O TRP A 13 12.032 -10.876 -3.725 1.00 0.00 O ATOM 134 CB TRP A 13 10.348 -12.566 -6.110 1.00 0.00 C ATOM 135 CG TRP A 13 10.800 -13.002 -7.470 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.365 -14.093 -8.167 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.776 -12.359 -8.297 1.00 0.00 C ATOM 138 NE1 TRP A 13 11.011 -14.166 -9.378 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.881 -13.114 -9.482 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.569 -11.217 -8.153 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.749 -12.763 -10.513 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.430 -10.871 -9.177 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.514 -11.641 -10.345 1.00 0.00 C ATOM 0 HA TRP A 13 12.392 -12.659 -5.447 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.438 -13.105 -5.847 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.093 -11.507 -6.142 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.622 -14.795 -7.818 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.866 -14.887 -10.085 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.510 -10.616 -7.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.816 -13.356 -11.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.049 -9.992 -9.075 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.196 -11.343 -11.128 1.00 0.00 H new ATOM 154 N ILE A 14 10.134 -11.933 -3.138 1.00 0.00 N ATOM 155 CA ILE A 14 9.845 -11.030 -2.031 1.00 0.00 C ATOM 156 C ILE A 14 10.787 -11.278 -0.858 1.00 0.00 C ATOM 157 O ILE A 14 10.569 -12.184 -0.054 1.00 0.00 O ATOM 158 CB ILE A 14 8.390 -11.180 -1.548 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.418 -10.932 -2.702 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.113 -10.223 -0.399 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.069 -11.589 -2.509 1.00 0.00 C ATOM 0 H ILE A 14 9.446 -12.674 -3.269 1.00 0.00 H new ATOM 0 HA ILE A 14 9.993 -10.016 -2.404 1.00 0.00 H new ATOM 0 HB ILE A 14 8.245 -12.199 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.276 -9.858 -2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.863 -11.300 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.081 -10.340 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.787 -10.444 0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.272 -9.198 -0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.432 -11.370 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.199 -12.667 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.603 -11.203 -1.602 1.00 0.00 H new ATOM 173 N VAL A 15 11.835 -10.465 -0.766 1.00 0.00 N ATOM 174 CA VAL A 15 12.809 -10.594 0.311 1.00 0.00 C ATOM 175 C VAL A 15 12.242 -10.082 1.630 1.00 0.00 C ATOM 176 O VAL A 15 12.642 -10.529 2.705 1.00 0.00 O ATOM 177 CB VAL A 15 14.105 -9.825 -0.010 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.834 -8.331 -0.090 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.174 -10.127 1.029 1.00 0.00 C ATOM 0 H VAL A 15 12.031 -9.711 -1.424 1.00 0.00 H new ATOM 0 HA VAL A 15 13.038 -11.656 0.405 1.00 0.00 H new ATOM 0 HB VAL A 15 14.472 -10.155 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.761 -7.805 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.104 -8.135 -0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.443 -7.981 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.083 -9.576 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.819 -9.826 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.388 -11.196 1.031 1.00 0.00 H new ATOM 189 N TYR A 16 11.307 -9.142 1.541 1.00 0.00 N ATOM 190 CA TYR A 16 10.685 -8.568 2.727 1.00 0.00 C ATOM 191 C TYR A 16 9.430 -7.782 2.358 1.00 0.00 C ATOM 192 O TYR A 16 9.348 -7.154 1.303 1.00 0.00 O ATOM 193 CB TYR A 16 11.674 -7.658 3.458 1.00 0.00 C ATOM 194 CG TYR A 16 11.011 -6.657 4.377 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.217 -5.636 3.867 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.179 -6.731 5.754 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.610 -4.719 4.703 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.574 -5.819 6.597 1.00 0.00 C ATOM 199 CZ TYR A 16 9.791 -4.815 6.067 1.00 0.00 C ATOM 200 OH TYR A 16 9.189 -3.903 6.904 1.00 0.00 O ATOM 0 H TYR A 16 10.964 -8.762 0.659 1.00 0.00 H new ATOM 0 HA TYR A 16 10.398 -9.386 3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.360 -8.274 4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.273 -7.122 2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.072 -5.559 2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.793 -7.515 6.173 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.997 -3.931 4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.713 -5.892 7.665 1.00 0.00 H new ATOM 0 HH TYR A 16 9.417 -4.112 7.834 1.00 0.00 H new ATOM 210 N PRO A 17 8.429 -7.815 3.250 1.00 0.00 N ATOM 211 CA PRO A 17 8.515 -8.559 4.510 1.00 0.00 C ATOM 212 C PRO A 17 8.504 -10.069 4.294 1.00 0.00 C ATOM 213 O PRO A 17 8.177 -10.548 3.208 1.00 0.00 O ATOM 214 CB PRO A 17 7.261 -8.119 5.269 1.00 0.00 C ATOM 215 CG PRO A 17 6.301 -7.707 4.207 1.00 0.00 C ATOM 216 CD PRO A 17 7.134 -7.130 3.096 1.00 0.00 C ATOM 0 HA PRO A 17 9.445 -8.354 5.041 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.858 -8.932 5.873 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.478 -7.294 5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.719 -8.559 3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.592 -6.971 4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.691 -7.323 2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.237 -6.049 3.191 1.00 0.00 H new ATOM 224 N SER A 18 8.863 -10.814 5.334 1.00 0.00 N ATOM 225 CA SER A 18 8.898 -12.270 5.257 1.00 0.00 C ATOM 226 C SER A 18 7.709 -12.881 5.992 1.00 0.00 C ATOM 227 O SER A 18 7.874 -13.573 6.995 1.00 0.00 O ATOM 228 CB SER A 18 10.205 -12.802 5.847 1.00 0.00 C ATOM 229 OG SER A 18 11.231 -12.833 4.870 1.00 0.00 O ATOM 0 H SER A 18 9.134 -10.433 6.241 1.00 0.00 H new ATOM 0 HA SER A 18 8.840 -12.555 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.513 -12.173 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.047 -13.805 6.244 1.00 0.00 H new ATOM 0 HG SER A 18 12.056 -13.175 5.273 1.00 0.00 H new ATOM 235 N GLY A 19 6.509 -12.620 5.483 1.00 0.00 N ATOM 236 CA GLY A 19 5.308 -13.151 6.102 1.00 0.00 C ATOM 237 C GLY A 19 4.149 -12.176 6.050 1.00 0.00 C ATOM 238 O GLY A 19 4.033 -11.386 5.113 1.00 0.00 O ATOM 0 H GLY A 19 6.347 -12.050 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.023 -14.076 5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.520 -13.404 7.141 1.00 0.00 H new ATOM 242 N LYS A 20 3.287 -12.231 7.060 1.00 0.00 N ATOM 243 CA LYS A 20 2.129 -11.346 7.127 1.00 0.00 C ATOM 244 C LYS A 20 2.447 -10.096 7.940 1.00 0.00 C ATOM 245 O LYS A 20 3.206 -10.148 8.907 1.00 0.00 O ATOM 246 CB LYS A 20 0.936 -12.080 7.744 1.00 0.00 C ATOM 247 CG LYS A 20 0.252 -13.042 6.787 1.00 0.00 C ATOM 248 CD LYS A 20 -1.210 -13.242 7.149 1.00 0.00 C ATOM 249 CE LYS A 20 -1.391 -14.401 8.117 1.00 0.00 C ATOM 250 NZ LYS A 20 -1.605 -15.691 7.405 1.00 0.00 N ATOM 0 H LYS A 20 3.368 -12.879 7.844 1.00 0.00 H new ATOM 0 HA LYS A 20 1.875 -11.042 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.274 -12.632 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.208 -11.346 8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.327 -12.659 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.767 -14.002 6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.604 -12.329 7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.788 -13.429 6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.512 -14.481 8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.242 -14.200 8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.724 -16.456 8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.458 -15.624 6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.782 -15.896 6.803 1.00 0.00 H new ATOM 264 N VAL A 21 1.859 -8.972 7.542 1.00 0.00 N ATOM 265 CA VAL A 21 2.077 -7.708 8.236 1.00 0.00 C ATOM 266 C VAL A 21 0.757 -6.999 8.515 1.00 0.00 C ATOM 267 O VAL A 21 -0.181 -7.075 7.720 1.00 0.00 O ATOM 268 CB VAL A 21 2.989 -6.771 7.422 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.149 -5.434 8.129 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.342 -7.422 7.180 1.00 0.00 C ATOM 0 H VAL A 21 1.228 -8.911 6.743 1.00 0.00 H new ATOM 0 HA VAL A 21 2.564 -7.946 9.181 1.00 0.00 H new ATOM 0 HB VAL A 21 2.522 -6.589 6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.797 -4.786 7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.172 -4.964 8.244 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.593 -5.593 9.112 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.973 -6.746 6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.819 -7.637 8.136 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.205 -8.351 6.626 1.00 0.00 H new ATOM 280 N TYR A 22 0.690 -6.310 9.648 1.00 0.00 N ATOM 281 CA TYR A 22 -0.517 -5.588 10.034 1.00 0.00 C ATOM 282 C TYR A 22 -0.273 -4.082 10.041 1.00 0.00 C ATOM 283 O TYR A 22 0.774 -3.613 10.487 1.00 0.00 O ATOM 284 CB TYR A 22 -0.992 -6.045 11.414 1.00 0.00 C ATOM 285 CG TYR A 22 -1.747 -7.355 11.392 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.240 -8.461 10.720 1.00 0.00 C ATOM 287 CD2 TYR A 22 -2.967 -7.487 12.043 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.927 -9.659 10.696 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.660 -8.682 12.026 1.00 0.00 C ATOM 290 CZ TYR A 22 -3.137 -9.764 11.351 1.00 0.00 C ATOM 291 OH TYR A 22 -3.823 -10.957 11.331 1.00 0.00 O ATOM 0 H TYR A 22 1.457 -6.236 10.316 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.291 -5.809 9.299 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.128 -6.144 12.072 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.632 -5.274 11.842 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.292 -8.382 10.208 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.381 -6.641 12.571 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.520 -10.508 10.168 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.607 -8.768 12.539 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.655 -10.864 11.840 1.00 0.00 H new ATOM 301 N VAL A 23 -1.247 -3.328 9.542 1.00 0.00 N ATOM 302 CA VAL A 23 -1.141 -1.875 9.492 1.00 0.00 C ATOM 303 C VAL A 23 -2.491 -1.216 9.748 1.00 0.00 C ATOM 304 O VAL A 23 -3.530 -1.720 9.324 1.00 0.00 O ATOM 305 CB VAL A 23 -0.599 -1.399 8.131 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.344 0.100 8.153 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.667 -2.159 7.766 1.00 0.00 C ATOM 0 H VAL A 23 -2.119 -3.700 9.166 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.443 -1.581 10.276 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.350 -1.604 7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.039 0.418 7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.276 0.624 8.365 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.388 0.333 8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.036 -1.810 6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.427 -1.988 8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.447 -3.225 7.706 1.00 0.00 H new ATOM 317 N ALA A 24 -2.468 -0.084 10.445 1.00 0.00 N ATOM 318 CA ALA A 24 -3.690 0.647 10.757 1.00 0.00 C ATOM 319 C ALA A 24 -3.713 2.001 10.056 1.00 0.00 C ATOM 320 O ALA A 24 -2.703 2.702 10.006 1.00 0.00 O ATOM 321 CB ALA A 24 -3.829 0.826 12.261 1.00 0.00 C ATOM 0 H ALA A 24 -1.616 0.347 10.804 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.536 0.064 10.393 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.746 1.374 12.479 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.867 -0.152 12.742 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.974 1.384 12.642 1.00 0.00 H new ATOM 327 N ALA A 25 -4.873 2.363 9.517 1.00 0.00 N ATOM 328 CA ALA A 25 -5.027 3.634 8.820 1.00 0.00 C ATOM 329 C ALA A 25 -6.322 4.330 9.228 1.00 0.00 C ATOM 330 O ALA A 25 -7.176 3.736 9.887 1.00 0.00 O ATOM 331 CB ALA A 25 -4.993 3.419 7.315 1.00 0.00 C ATOM 0 H ALA A 25 -5.719 1.794 9.550 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.194 4.278 9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.109 4.377 6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.040 2.972 7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.806 2.754 7.024 1.00 0.00 H new ATOM 337 N VAL A 26 -6.460 5.591 8.833 1.00 0.00 N ATOM 338 CA VAL A 26 -7.651 6.367 9.157 1.00 0.00 C ATOM 339 C VAL A 26 -8.182 7.098 7.928 1.00 0.00 C ATOM 340 O VAL A 26 -7.460 7.295 6.950 1.00 0.00 O ATOM 341 CB VAL A 26 -7.366 7.395 10.268 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.638 7.712 11.041 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.280 6.882 11.201 1.00 0.00 C ATOM 0 H VAL A 26 -5.762 6.097 8.288 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.403 5.661 9.509 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.011 8.316 9.805 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.417 8.440 11.822 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.384 8.124 10.361 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.025 6.800 11.495 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.091 7.620 11.980 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.605 5.947 11.658 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.365 6.710 10.634 1.00 0.00 H new ATOM 353 N ARG A 27 -9.448 7.498 7.986 1.00 0.00 N ATOM 354 CA ARG A 27 -10.077 8.206 6.877 1.00 0.00 C ATOM 355 C ARG A 27 -9.163 9.308 6.349 1.00 0.00 C ATOM 356 O ARG A 27 -8.905 10.298 7.036 1.00 0.00 O ATOM 357 CB ARG A 27 -11.413 8.805 7.319 1.00 0.00 C ATOM 358 CG ARG A 27 -12.372 9.069 6.169 1.00 0.00 C ATOM 359 CD ARG A 27 -13.260 7.865 5.897 1.00 0.00 C ATOM 360 NE ARG A 27 -14.267 8.147 4.878 1.00 0.00 N ATOM 361 CZ ARG A 27 -15.422 8.753 5.133 1.00 0.00 C ATOM 362 NH1 ARG A 27 -15.713 9.139 6.368 1.00 0.00 N ATOM 363 NH2 ARG A 27 -16.287 8.975 4.152 1.00 0.00 N ATOM 0 H ARG A 27 -10.058 7.344 8.789 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.256 7.490 6.075 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.888 8.128 8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.226 9.740 7.847 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.992 9.935 6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.806 9.315 5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.644 7.025 5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.754 7.563 6.821 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.073 7.863 3.918 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -15.050 8.971 7.124 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -16.600 9.604 6.561 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -16.066 8.680 3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.173 9.440 4.349 1.00 0.00 H new ATOM 377 N LEU A 28 -8.678 9.131 5.125 1.00 0.00 N ATOM 378 CA LEU A 28 -7.792 10.111 4.504 1.00 0.00 C ATOM 379 C LEU A 28 -6.449 10.164 5.225 1.00 0.00 C ATOM 380 O LEU A 28 -5.913 11.243 5.477 1.00 0.00 O ATOM 381 CB LEU A 28 -8.444 11.494 4.513 1.00 0.00 C ATOM 382 CG LEU A 28 -9.897 11.555 4.038 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.504 12.914 4.350 1.00 0.00 C ATOM 384 CD2 LEU A 28 -9.983 11.260 2.547 1.00 0.00 C ATOM 0 H LEU A 28 -8.883 8.319 4.543 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.618 9.805 3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.398 11.889 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.849 12.158 3.885 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.466 10.795 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.538 12.939 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.476 13.086 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.934 13.692 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.024 11.308 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.399 11.997 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.588 10.263 2.350 1.00 0.00 H new ATOM 396 N GLU A 29 -5.911 8.993 5.551 1.00 0.00 N ATOM 397 CA GLU A 29 -4.629 8.908 6.242 1.00 0.00 C ATOM 398 C GLU A 29 -3.500 8.617 5.258 1.00 0.00 C ATOM 399 O GLU A 29 -3.739 8.164 4.138 1.00 0.00 O ATOM 400 CB GLU A 29 -4.676 7.822 7.318 1.00 0.00 C ATOM 401 CG GLU A 29 -3.370 7.662 8.078 1.00 0.00 C ATOM 402 CD GLU A 29 -2.986 8.910 8.848 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.549 9.131 9.940 1.00 0.00 O ATOM 404 OE2 GLU A 29 -2.121 9.666 8.358 1.00 0.00 O ATOM 0 H GLU A 29 -6.342 8.091 5.348 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.435 9.870 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.472 8.057 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.934 6.871 6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.457 6.825 8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.574 7.413 7.376 1.00 0.00 H new ATOM 411 N ARG A 30 -2.269 8.880 5.684 1.00 0.00 N ATOM 412 CA ARG A 30 -1.102 8.648 4.841 1.00 0.00 C ATOM 413 C ARG A 30 -0.328 7.420 5.311 1.00 0.00 C ATOM 414 O ARG A 30 0.434 7.484 6.276 1.00 0.00 O ATOM 415 CB ARG A 30 -0.188 9.874 4.850 1.00 0.00 C ATOM 416 CG ARG A 30 1.094 9.684 4.057 1.00 0.00 C ATOM 417 CD ARG A 30 2.200 9.094 4.918 1.00 0.00 C ATOM 418 NE ARG A 30 3.527 9.442 4.418 1.00 0.00 N ATOM 419 CZ ARG A 30 4.615 9.471 5.181 1.00 0.00 C ATOM 420 NH1 ARG A 30 4.533 9.175 6.470 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.788 9.797 4.653 1.00 0.00 N ATOM 0 H ARG A 30 -2.054 9.254 6.608 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.450 8.470 3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.733 10.726 4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.066 10.120 5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.904 9.028 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.418 10.643 3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.093 9.453 5.942 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.097 8.009 4.948 1.00 0.00 H new ATOM 0 HE ARG A 30 3.624 9.675 3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.633 8.924 6.879 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.370 9.198 7.053 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.855 10.026 3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.623 9.819 5.239 1.00 0.00 H new ATOM 435 N VAL A 31 -0.529 6.301 4.622 1.00 0.00 N ATOM 436 CA VAL A 31 0.150 5.058 4.968 1.00 0.00 C ATOM 437 C VAL A 31 1.373 4.835 4.084 1.00 0.00 C ATOM 438 O VAL A 31 1.478 5.404 2.998 1.00 0.00 O ATOM 439 CB VAL A 31 -0.793 3.847 4.835 1.00 0.00 C ATOM 440 CG1 VAL A 31 -2.027 4.033 5.704 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.182 3.633 3.380 1.00 0.00 C ATOM 0 H VAL A 31 -1.157 6.230 3.821 1.00 0.00 H new ATOM 0 HA VAL A 31 0.467 5.150 6.007 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.266 2.958 5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.681 3.168 5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.726 4.133 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.560 4.931 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.848 2.774 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.691 4.521 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.286 3.451 2.787 1.00 0.00 H new ATOM 451 N VAL A 32 2.295 4.004 4.559 1.00 0.00 N ATOM 452 CA VAL A 32 3.511 3.705 3.812 1.00 0.00 C ATOM 453 C VAL A 32 3.892 2.235 3.948 1.00 0.00 C ATOM 454 O VAL A 32 4.387 1.805 4.990 1.00 0.00 O ATOM 455 CB VAL A 32 4.690 4.576 4.285 1.00 0.00 C ATOM 456 CG1 VAL A 32 5.960 4.212 3.531 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.363 6.052 4.116 1.00 0.00 C ATOM 0 H VAL A 32 2.223 3.526 5.457 1.00 0.00 H new ATOM 0 HA VAL A 32 3.302 3.928 2.766 1.00 0.00 H new ATOM 0 HB VAL A 32 4.859 4.384 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.782 4.838 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.201 3.164 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.808 4.373 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.207 6.653 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.166 6.263 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.481 6.299 4.707 1.00 0.00 H new ATOM 467 N LEU A 33 3.659 1.469 2.889 1.00 0.00 N ATOM 468 CA LEU A 33 3.978 0.045 2.889 1.00 0.00 C ATOM 469 C LEU A 33 5.439 -0.185 2.516 1.00 0.00 C ATOM 470 O LEU A 33 5.974 0.469 1.620 1.00 0.00 O ATOM 471 CB LEU A 33 3.067 -0.702 1.914 1.00 0.00 C ATOM 472 CG LEU A 33 1.765 -1.251 2.498 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.111 -0.221 3.406 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.813 -1.664 1.384 1.00 0.00 C ATOM 0 H LEU A 33 3.250 1.809 2.019 1.00 0.00 H new ATOM 0 HA LEU A 33 3.814 -0.339 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.818 -0.030 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.629 -1.533 1.487 1.00 0.00 H new ATOM 0 HG LEU A 33 2.000 -2.133 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.186 -0.629 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.789 0.026 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.889 0.680 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.108 -2.052 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.584 -0.799 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.280 -2.437 0.774 1.00 0.00 H new ATOM 486 N THR A 34 6.081 -1.122 3.208 1.00 0.00 N ATOM 487 CA THR A 34 7.479 -1.440 2.949 1.00 0.00 C ATOM 488 C THR A 34 7.621 -2.818 2.314 1.00 0.00 C ATOM 489 O THR A 34 7.243 -3.828 2.908 1.00 0.00 O ATOM 490 CB THR A 34 8.314 -1.395 4.243 1.00 0.00 C ATOM 491 OG1 THR A 34 8.076 -0.166 4.938 1.00 0.00 O ATOM 492 CG2 THR A 34 9.797 -1.530 3.935 1.00 0.00 C ATOM 0 H THR A 34 5.654 -1.674 3.952 1.00 0.00 H new ATOM 0 HA THR A 34 7.852 -0.684 2.258 1.00 0.00 H new ATOM 0 HB THR A 34 8.012 -2.232 4.873 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.609 -0.146 5.760 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.366 -1.495 4.864 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.979 -2.480 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.110 -0.711 3.287 1.00 0.00 H new ATOM 500 N CYS A 35 8.168 -2.853 1.104 1.00 0.00 N ATOM 501 CA CYS A 35 8.360 -4.109 0.387 1.00 0.00 C ATOM 502 C CYS A 35 9.679 -4.101 -0.379 1.00 0.00 C ATOM 503 O CYS A 35 9.804 -3.441 -1.411 1.00 0.00 O ATOM 504 CB CYS A 35 7.198 -4.353 -0.576 1.00 0.00 C ATOM 505 SG CYS A 35 6.825 -6.100 -0.854 1.00 0.00 S ATOM 0 H CYS A 35 8.486 -2.026 0.599 1.00 0.00 H new ATOM 0 HA CYS A 35 8.391 -4.916 1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.307 -3.860 -0.186 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.429 -3.885 -1.533 1.00 0.00 H new ATOM 0 HG CYS A 35 7.651 -6.834 -0.170 1.00 0.00 H new ATOM 511 N GLU A 36 10.660 -4.838 0.133 1.00 0.00 N ATOM 512 CA GLU A 36 11.970 -4.913 -0.503 1.00 0.00 C ATOM 513 C GLU A 36 12.069 -6.143 -1.401 1.00 0.00 C ATOM 514 O GLU A 36 11.326 -7.111 -1.232 1.00 0.00 O ATOM 515 CB GLU A 36 13.074 -4.951 0.556 1.00 0.00 C ATOM 516 CG GLU A 36 14.474 -4.820 -0.020 1.00 0.00 C ATOM 517 CD GLU A 36 15.440 -4.156 0.941 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.224 -2.973 1.277 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.413 -4.820 1.358 1.00 0.00 O ATOM 0 H GLU A 36 10.572 -5.391 0.986 1.00 0.00 H new ATOM 0 HA GLU A 36 12.098 -4.023 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.908 -4.146 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.004 -5.888 1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.850 -5.809 -0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.430 -4.242 -0.943 1.00 0.00 H new ATOM 526 N LEU A 37 12.990 -6.097 -2.357 1.00 0.00 N ATOM 527 CA LEU A 37 13.187 -7.207 -3.284 1.00 0.00 C ATOM 528 C LEU A 37 14.652 -7.629 -3.324 1.00 0.00 C ATOM 529 O LEU A 37 15.541 -6.856 -2.965 1.00 0.00 O ATOM 530 CB LEU A 37 12.718 -6.815 -4.686 1.00 0.00 C ATOM 531 CG LEU A 37 11.290 -6.278 -4.791 1.00 0.00 C ATOM 532 CD1 LEU A 37 11.011 -5.776 -6.199 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.286 -7.351 -4.397 1.00 0.00 C ATOM 0 H LEU A 37 13.612 -5.304 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 37 12.595 -8.052 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.399 -6.059 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.805 -7.687 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 37 11.186 -5.441 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.990 -5.398 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.709 -4.975 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.134 -6.595 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.275 -6.951 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.391 -8.209 -5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.472 -7.663 -3.369 1.00 0.00 H new ATOM 545 N CYS A 38 14.896 -8.858 -3.765 1.00 0.00 N ATOM 546 CA CYS A 38 16.254 -9.383 -3.853 1.00 0.00 C ATOM 547 C CYS A 38 16.927 -8.934 -5.147 1.00 0.00 C ATOM 548 O CYS A 38 18.033 -9.369 -5.466 1.00 0.00 O ATOM 549 CB CYS A 38 16.239 -10.910 -3.776 1.00 0.00 C ATOM 550 SG CYS A 38 17.875 -11.656 -3.589 1.00 0.00 S ATOM 0 H CYS A 38 14.172 -9.509 -4.067 1.00 0.00 H new ATOM 0 HA CYS A 38 16.824 -8.990 -3.012 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.615 -11.215 -2.936 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.773 -11.304 -4.679 1.00 0.00 H new ATOM 0 HG CYS A 38 18.719 -11.053 -4.372 1.00 0.00 H new ATOM 556 N ARG A 39 16.250 -8.063 -5.888 1.00 0.00 N ATOM 557 CA ARG A 39 16.781 -7.558 -7.148 1.00 0.00 C ATOM 558 C ARG A 39 16.293 -6.136 -7.413 1.00 0.00 C ATOM 559 O ARG A 39 15.147 -5.785 -7.132 1.00 0.00 O ATOM 560 CB ARG A 39 16.369 -8.473 -8.303 1.00 0.00 C ATOM 561 CG ARG A 39 17.242 -9.709 -8.441 1.00 0.00 C ATOM 562 CD ARG A 39 18.542 -9.396 -9.165 1.00 0.00 C ATOM 563 NE ARG A 39 19.609 -9.024 -8.240 1.00 0.00 N ATOM 564 CZ ARG A 39 20.901 -9.128 -8.528 1.00 0.00 C ATOM 565 NH1 ARG A 39 21.285 -9.589 -9.710 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.813 -8.769 -7.633 1.00 0.00 N ATOM 0 H ARG A 39 15.333 -7.693 -5.638 1.00 0.00 H new ATOM 0 HA ARG A 39 17.868 -7.543 -7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.334 -8.784 -8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.405 -7.907 -9.234 1.00 0.00 H new ATOM 0 HG2 ARG A 39 17.463 -10.112 -7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.698 -10.481 -8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.852 -10.265 -9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.376 -8.583 -9.872 1.00 0.00 H new ATOM 0 HE ARG A 39 19.347 -8.664 -7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.587 -9.865 -10.401 1.00 0.00 H new ATOM 0 HH12 ARG A 39 22.278 -9.668 -9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 39 21.522 -8.413 -6.723 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.805 -8.849 -7.855 1.00 0.00 H new ATOM 580 N PRO A 40 17.182 -5.298 -7.966 1.00 0.00 N ATOM 581 CA PRO A 40 16.865 -3.902 -8.280 1.00 0.00 C ATOM 582 C PRO A 40 15.881 -3.778 -9.438 1.00 0.00 C ATOM 583 O PRO A 40 14.876 -3.074 -9.338 1.00 0.00 O ATOM 584 CB PRO A 40 18.223 -3.308 -8.666 1.00 0.00 C ATOM 585 CG PRO A 40 19.023 -4.471 -9.141 1.00 0.00 C ATOM 586 CD PRO A 40 18.566 -5.650 -8.327 1.00 0.00 C ATOM 0 HA PRO A 40 16.385 -3.395 -7.443 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.118 -2.554 -9.446 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.699 -2.821 -7.815 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.863 -4.646 -10.205 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.090 -4.293 -9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.609 -6.576 -8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.188 -5.794 -7.443 1.00 0.00 H new ATOM 594 N TRP A 41 16.177 -4.465 -10.536 1.00 0.00 N ATOM 595 CA TRP A 41 15.317 -4.431 -11.713 1.00 0.00 C ATOM 596 C TRP A 41 14.159 -5.413 -11.569 1.00 0.00 C ATOM 597 O TRP A 41 13.696 -5.989 -12.553 1.00 0.00 O ATOM 598 CB TRP A 41 16.125 -4.758 -12.970 1.00 0.00 C ATOM 599 CG TRP A 41 17.250 -5.717 -12.721 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.575 -5.411 -12.597 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.147 -7.136 -12.567 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.303 -6.555 -12.375 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.450 -7.627 -12.352 1.00 0.00 C ATOM 604 CE3 TRP A 41 16.082 -8.040 -12.587 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.713 -8.981 -12.161 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.344 -9.384 -12.398 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.651 -9.844 -12.186 1.00 0.00 C ATOM 0 H TRP A 41 17.005 -5.052 -10.635 1.00 0.00 H new ATOM 0 HA TRP A 41 14.907 -3.425 -11.804 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.458 -5.179 -13.722 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.530 -3.834 -13.384 1.00 0.00 H new ATOM 0 HD1 TRP A 41 18.990 -4.416 -12.664 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.314 -6.599 -12.248 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.071 -7.695 -12.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.719 -9.338 -11.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.528 -10.091 -12.414 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.823 -10.900 -12.040 1.00 0.00 H new ATOM 618 N ALA A 42 13.694 -5.597 -10.338 1.00 0.00 N ATOM 619 CA ALA A 42 12.588 -6.507 -10.067 1.00 0.00 C ATOM 620 C ALA A 42 11.261 -5.759 -10.018 1.00 0.00 C ATOM 621 O ALA A 42 11.005 -4.991 -9.091 1.00 0.00 O ATOM 622 CB ALA A 42 12.825 -7.252 -8.761 1.00 0.00 C ATOM 0 H ALA A 42 14.066 -5.128 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 42 12.537 -7.230 -10.881 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.991 -7.928 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.749 -7.826 -8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.905 -6.536 -7.943 1.00 0.00 H new ATOM 628 N GLU A 43 10.420 -5.987 -11.023 1.00 0.00 N ATOM 629 CA GLU A 43 9.120 -5.332 -11.094 1.00 0.00 C ATOM 630 C GLU A 43 8.077 -6.103 -10.289 1.00 0.00 C ATOM 631 O GLU A 43 8.057 -7.334 -10.297 1.00 0.00 O ATOM 632 CB GLU A 43 8.666 -5.206 -12.549 1.00 0.00 C ATOM 633 CG GLU A 43 9.307 -4.044 -13.289 1.00 0.00 C ATOM 634 CD GLU A 43 9.107 -4.126 -14.790 1.00 0.00 C ATOM 635 OE1 GLU A 43 8.084 -4.699 -15.221 1.00 0.00 O ATOM 636 OE2 GLU A 43 9.971 -3.616 -15.533 1.00 0.00 O ATOM 0 H GLU A 43 10.616 -6.620 -11.798 1.00 0.00 H new ATOM 0 HA GLU A 43 9.221 -4.335 -10.665 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.898 -6.132 -13.074 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.583 -5.088 -12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.887 -3.108 -12.921 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.374 -4.023 -13.069 1.00 0.00 H new ATOM 643 N VAL A 44 7.213 -5.370 -9.595 1.00 0.00 N ATOM 644 CA VAL A 44 6.167 -5.984 -8.785 1.00 0.00 C ATOM 645 C VAL A 44 4.797 -5.411 -9.131 1.00 0.00 C ATOM 646 O VAL A 44 4.693 -4.401 -9.826 1.00 0.00 O ATOM 647 CB VAL A 44 6.431 -5.783 -7.281 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.775 -6.378 -6.891 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.368 -4.306 -6.923 1.00 0.00 C ATOM 0 H VAL A 44 7.216 -4.350 -9.577 1.00 0.00 H new ATOM 0 HA VAL A 44 6.178 -7.051 -9.008 1.00 0.00 H new ATOM 0 HB VAL A 44 5.654 -6.303 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.944 -6.227 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.778 -7.446 -7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.568 -5.889 -7.457 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.557 -4.182 -5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.122 -3.761 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.380 -3.915 -7.164 1.00 0.00 H new ATOM 659 N ARG A 45 3.748 -6.063 -8.640 1.00 0.00 N ATOM 660 CA ARG A 45 2.384 -5.619 -8.897 1.00 0.00 C ATOM 661 C ARG A 45 1.502 -5.831 -7.670 1.00 0.00 C ATOM 662 O ARG A 45 1.370 -6.950 -7.174 1.00 0.00 O ATOM 663 CB ARG A 45 1.798 -6.369 -10.095 1.00 0.00 C ATOM 664 CG ARG A 45 0.301 -6.169 -10.266 1.00 0.00 C ATOM 665 CD ARG A 45 -0.231 -6.939 -11.465 1.00 0.00 C ATOM 666 NE ARG A 45 0.098 -8.360 -11.392 1.00 0.00 N ATOM 667 CZ ARG A 45 -0.408 -9.274 -12.213 1.00 0.00 C ATOM 668 NH1 ARG A 45 -1.260 -8.917 -13.164 1.00 0.00 N ATOM 669 NH2 ARG A 45 -0.060 -10.548 -12.084 1.00 0.00 N ATOM 0 H ARG A 45 3.817 -6.901 -8.062 1.00 0.00 H new ATOM 0 HA ARG A 45 2.413 -4.553 -9.122 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.306 -6.041 -11.002 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.003 -7.434 -9.982 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.216 -6.496 -9.364 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.086 -5.107 -10.390 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.313 -6.820 -11.521 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.184 -6.517 -12.380 1.00 0.00 H new ATOM 0 HE ARG A 45 0.752 -8.667 -10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.529 -7.938 -13.267 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.647 -9.621 -13.793 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.596 -10.826 -11.354 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.449 -11.249 -12.715 1.00 0.00 H new ATOM 683 N TRP A 46 0.902 -4.750 -7.185 1.00 0.00 N ATOM 684 CA TRP A 46 0.034 -4.818 -6.015 1.00 0.00 C ATOM 685 C TRP A 46 -1.395 -5.168 -6.417 1.00 0.00 C ATOM 686 O TRP A 46 -1.937 -4.610 -7.371 1.00 0.00 O ATOM 687 CB TRP A 46 0.054 -3.487 -5.262 1.00 0.00 C ATOM 688 CG TRP A 46 1.423 -3.082 -4.807 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.413 -2.535 -5.574 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.954 -3.193 -3.482 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.527 -2.300 -4.805 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.271 -2.694 -3.518 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.445 -3.663 -2.269 1.00 0.00 C ATOM 694 CZ2 TRP A 46 4.083 -2.654 -2.388 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.252 -3.623 -1.148 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.558 -3.121 -1.213 1.00 0.00 C ATOM 0 H TRP A 46 1.000 -3.816 -7.584 1.00 0.00 H new ATOM 0 HA TRP A 46 0.410 -5.604 -5.360 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.352 -2.707 -5.906 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.603 -3.558 -4.395 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.332 -2.319 -6.629 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.403 -1.897 -5.138 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.439 -4.051 -2.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.091 -2.269 -2.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.869 -3.985 -0.205 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.163 -3.102 -0.318 1.00 0.00 H new ATOM 707 N THR A 47 -2.001 -6.096 -5.683 1.00 0.00 N ATOM 708 CA THR A 47 -3.367 -6.521 -5.964 1.00 0.00 C ATOM 709 C THR A 47 -4.238 -6.432 -4.716 1.00 0.00 C ATOM 710 O THR A 47 -3.887 -6.962 -3.662 1.00 0.00 O ATOM 711 CB THR A 47 -3.407 -7.963 -6.502 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.739 -8.845 -5.592 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.750 -8.049 -7.872 1.00 0.00 C ATOM 0 H THR A 47 -1.567 -6.568 -4.889 1.00 0.00 H new ATOM 0 HA THR A 47 -3.758 -5.846 -6.725 1.00 0.00 H new ATOM 0 HB THR A 47 -4.451 -8.262 -6.597 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.870 -8.465 -5.346 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.791 -9.077 -8.231 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.278 -7.400 -8.570 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.710 -7.732 -7.797 1.00 0.00 H new ATOM 721 N LYS A 48 -5.376 -5.757 -4.842 1.00 0.00 N ATOM 722 CA LYS A 48 -6.300 -5.600 -3.725 1.00 0.00 C ATOM 723 C LYS A 48 -7.453 -6.593 -3.829 1.00 0.00 C ATOM 724 O LYS A 48 -8.457 -6.326 -4.490 1.00 0.00 O ATOM 725 CB LYS A 48 -6.846 -4.171 -3.686 1.00 0.00 C ATOM 726 CG LYS A 48 -7.414 -3.774 -2.335 1.00 0.00 C ATOM 727 CD LYS A 48 -7.742 -2.291 -2.281 1.00 0.00 C ATOM 728 CE LYS A 48 -8.764 -1.984 -1.197 1.00 0.00 C ATOM 729 NZ LYS A 48 -10.150 -2.312 -1.632 1.00 0.00 N ATOM 0 H LYS A 48 -5.680 -5.310 -5.707 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.754 -5.800 -2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.048 -3.479 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.624 -4.067 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.314 -4.354 -2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.696 -4.017 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.831 -1.723 -2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.127 -1.967 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.522 -2.551 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.707 -0.928 -0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.816 -2.089 -0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.391 -1.752 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.212 -3.325 -1.860 1.00 0.00 H new ATOM 743 N ASP A 49 -7.303 -7.737 -3.171 1.00 0.00 N ATOM 744 CA ASP A 49 -8.334 -8.769 -3.187 1.00 0.00 C ATOM 745 C ASP A 49 -8.385 -9.464 -4.544 1.00 0.00 C ATOM 746 O ASP A 49 -9.457 -9.830 -5.025 1.00 0.00 O ATOM 747 CB ASP A 49 -9.699 -8.162 -2.859 1.00 0.00 C ATOM 748 CG ASP A 49 -10.633 -9.159 -2.202 1.00 0.00 C ATOM 749 OD1 ASP A 49 -10.640 -10.334 -2.625 1.00 0.00 O ATOM 750 OD2 ASP A 49 -11.356 -8.764 -1.264 1.00 0.00 O ATOM 0 H ASP A 49 -6.478 -7.974 -2.620 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.084 -9.510 -2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.563 -7.306 -2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.157 -7.789 -3.775 1.00 0.00 H new ATOM 755 N GLY A 50 -7.219 -9.642 -5.157 1.00 0.00 N ATOM 756 CA GLY A 50 -7.154 -10.292 -6.454 1.00 0.00 C ATOM 757 C GLY A 50 -7.087 -9.299 -7.597 1.00 0.00 C ATOM 758 O GLY A 50 -6.477 -9.573 -8.630 1.00 0.00 O ATOM 0 H GLY A 50 -6.318 -9.348 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.279 -10.941 -6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.029 -10.930 -6.582 1.00 0.00 H new ATOM 762 N GLU A 51 -7.718 -8.143 -7.413 1.00 0.00 N ATOM 763 CA GLU A 51 -7.729 -7.108 -8.439 1.00 0.00 C ATOM 764 C GLU A 51 -6.426 -6.313 -8.424 1.00 0.00 C ATOM 765 O GLU A 51 -5.864 -6.043 -7.363 1.00 0.00 O ATOM 766 CB GLU A 51 -8.916 -6.165 -8.232 1.00 0.00 C ATOM 767 CG GLU A 51 -10.245 -6.754 -8.675 1.00 0.00 C ATOM 768 CD GLU A 51 -11.421 -6.186 -7.904 1.00 0.00 C ATOM 769 OE1 GLU A 51 -11.670 -4.967 -8.014 1.00 0.00 O ATOM 770 OE2 GLU A 51 -12.093 -6.961 -7.192 1.00 0.00 O ATOM 0 H GLU A 51 -8.228 -7.901 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.827 -7.596 -9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.979 -5.900 -7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.736 -5.241 -8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.386 -6.563 -9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.220 -7.836 -8.546 1.00 0.00 H new ATOM 777 N GLU A 52 -5.953 -5.941 -9.610 1.00 0.00 N ATOM 778 CA GLU A 52 -4.716 -5.179 -9.733 1.00 0.00 C ATOM 779 C GLU A 52 -4.967 -3.693 -9.491 1.00 0.00 C ATOM 780 O GLU A 52 -5.692 -3.044 -10.244 1.00 0.00 O ATOM 781 CB GLU A 52 -4.100 -5.384 -11.118 1.00 0.00 C ATOM 782 CG GLU A 52 -2.929 -4.460 -11.407 1.00 0.00 C ATOM 783 CD GLU A 52 -2.718 -4.232 -12.891 1.00 0.00 C ATOM 784 OE1 GLU A 52 -3.716 -4.248 -13.642 1.00 0.00 O ATOM 785 OE2 GLU A 52 -1.555 -4.036 -13.301 1.00 0.00 O ATOM 0 H GLU A 52 -6.407 -6.155 -10.498 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.020 -5.541 -8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.767 -6.418 -11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.869 -5.229 -11.875 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.098 -3.501 -10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.022 -4.883 -10.976 1.00 0.00 H new ATOM 792 N VAL A 53 -4.361 -3.161 -8.434 1.00 0.00 N ATOM 793 CA VAL A 53 -4.517 -1.752 -8.092 1.00 0.00 C ATOM 794 C VAL A 53 -4.037 -0.855 -9.227 1.00 0.00 C ATOM 795 O VAL A 53 -2.965 -1.071 -9.793 1.00 0.00 O ATOM 796 CB VAL A 53 -3.743 -1.397 -6.809 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.128 -2.336 -5.676 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.243 -1.440 -7.062 1.00 0.00 C ATOM 0 H VAL A 53 -3.758 -3.685 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.581 -1.583 -7.924 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.009 -0.382 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.571 -2.070 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.197 -2.250 -5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.893 -3.362 -5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.712 -1.186 -6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.957 -2.442 -7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.985 -0.723 -7.841 1.00 0.00 H new ATOM 808 N VAL A 54 -4.837 0.154 -9.556 1.00 0.00 N ATOM 809 CA VAL A 54 -4.494 1.087 -10.623 1.00 0.00 C ATOM 810 C VAL A 54 -4.177 2.469 -10.063 1.00 0.00 C ATOM 811 O VAL A 54 -4.922 3.003 -9.243 1.00 0.00 O ATOM 812 CB VAL A 54 -5.635 1.210 -11.650 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.852 1.871 -11.019 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.170 1.986 -12.872 1.00 0.00 C ATOM 0 H VAL A 54 -5.728 0.346 -9.099 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.610 0.688 -11.120 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.921 0.209 -11.972 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.648 1.950 -11.759 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.197 1.270 -10.177 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.584 2.867 -10.668 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.989 2.063 -13.587 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.856 2.985 -12.571 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.331 1.466 -13.335 1.00 0.00 H new ATOM 824 N GLU A 55 -3.065 3.043 -10.514 1.00 0.00 N ATOM 825 CA GLU A 55 -2.650 4.364 -10.057 1.00 0.00 C ATOM 826 C GLU A 55 -3.840 5.317 -9.992 1.00 0.00 C ATOM 827 O GLU A 55 -4.781 5.206 -10.778 1.00 0.00 O ATOM 828 CB GLU A 55 -1.576 4.935 -10.986 1.00 0.00 C ATOM 829 CG GLU A 55 -0.159 4.574 -10.572 1.00 0.00 C ATOM 830 CD GLU A 55 0.789 4.486 -11.752 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.432 3.830 -12.753 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.889 5.073 -11.674 1.00 0.00 O ATOM 0 H GLU A 55 -2.437 2.614 -11.194 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.236 4.259 -9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.753 4.573 -11.999 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.672 6.020 -11.015 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.211 5.320 -9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.170 3.619 -10.048 1.00 0.00 H new ATOM 839 N SER A 56 -3.791 6.253 -9.050 1.00 0.00 N ATOM 840 CA SER A 56 -4.866 7.222 -8.878 1.00 0.00 C ATOM 841 C SER A 56 -4.473 8.297 -7.869 1.00 0.00 C ATOM 842 O SER A 56 -3.483 8.175 -7.148 1.00 0.00 O ATOM 843 CB SER A 56 -6.146 6.520 -8.421 1.00 0.00 C ATOM 844 OG SER A 56 -5.858 5.256 -7.850 1.00 0.00 O ATOM 0 H SER A 56 -3.018 6.361 -8.394 1.00 0.00 H new ATOM 0 HA SER A 56 -5.047 7.701 -9.840 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.665 7.142 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.819 6.395 -9.270 1.00 0.00 H new ATOM 0 HG SER A 56 -6.692 4.828 -7.565 1.00 0.00 H new ATOM 850 N PRO A 57 -5.268 9.376 -7.815 1.00 0.00 N ATOM 851 CA PRO A 57 -5.025 10.493 -6.898 1.00 0.00 C ATOM 852 C PRO A 57 -5.277 10.114 -5.443 1.00 0.00 C ATOM 853 O PRO A 57 -5.171 10.951 -4.546 1.00 0.00 O ATOM 854 CB PRO A 57 -6.030 11.553 -7.356 1.00 0.00 C ATOM 855 CG PRO A 57 -7.124 10.781 -8.009 1.00 0.00 C ATOM 856 CD PRO A 57 -6.466 9.588 -8.645 1.00 0.00 C ATOM 0 HA PRO A 57 -3.988 10.827 -6.929 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.404 12.134 -6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.573 12.257 -8.051 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.872 10.471 -7.279 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.638 11.387 -8.755 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.120 8.716 -8.636 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.205 9.780 -9.686 1.00 0.00 H new ATOM 864 N ALA A 58 -5.609 8.848 -5.215 1.00 0.00 N ATOM 865 CA ALA A 58 -5.874 8.358 -3.868 1.00 0.00 C ATOM 866 C ALA A 58 -4.895 7.253 -3.484 1.00 0.00 C ATOM 867 O ALA A 58 -4.784 6.887 -2.313 1.00 0.00 O ATOM 868 CB ALA A 58 -7.306 7.857 -3.760 1.00 0.00 C ATOM 0 H ALA A 58 -5.701 8.143 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.738 9.187 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.489 7.494 -2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.994 8.672 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.462 7.045 -4.470 1.00 0.00 H new ATOM 874 N LEU A 59 -4.188 6.724 -4.476 1.00 0.00 N ATOM 875 CA LEU A 59 -3.218 5.659 -4.243 1.00 0.00 C ATOM 876 C LEU A 59 -1.916 5.937 -4.986 1.00 0.00 C ATOM 877 O LEU A 59 -1.813 5.700 -6.190 1.00 0.00 O ATOM 878 CB LEU A 59 -3.794 4.313 -4.684 1.00 0.00 C ATOM 879 CG LEU A 59 -2.840 3.120 -4.614 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.604 1.843 -4.300 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.070 2.975 -5.919 1.00 0.00 C ATOM 0 H LEU A 59 -4.268 7.015 -5.450 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.004 5.623 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.665 4.093 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.148 4.410 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.125 3.298 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.909 1.005 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.109 1.948 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.342 1.660 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.396 2.121 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.771 2.820 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.491 3.880 -6.102 1.00 0.00 H new ATOM 893 N LEU A 60 -0.922 6.437 -4.260 1.00 0.00 N ATOM 894 CA LEU A 60 0.377 6.744 -4.849 1.00 0.00 C ATOM 895 C LEU A 60 1.335 5.567 -4.699 1.00 0.00 C ATOM 896 O LEU A 60 1.537 5.054 -3.598 1.00 0.00 O ATOM 897 CB LEU A 60 0.975 7.990 -4.194 1.00 0.00 C ATOM 898 CG LEU A 60 0.116 9.254 -4.247 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.721 10.348 -3.382 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.040 9.733 -5.683 1.00 0.00 C ATOM 0 H LEU A 60 -0.991 6.638 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 60 0.230 6.935 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.185 7.761 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.931 8.204 -4.672 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.872 9.014 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.096 11.239 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.780 10.004 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.722 10.586 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.654 10.633 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.942 9.955 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.520 8.954 -6.276 1.00 0.00 H new ATOM 912 N LEU A 61 1.925 5.146 -5.812 1.00 0.00 N ATOM 913 CA LEU A 61 2.866 4.030 -5.805 1.00 0.00 C ATOM 914 C LEU A 61 4.305 4.532 -5.752 1.00 0.00 C ATOM 915 O LEU A 61 4.799 5.131 -6.706 1.00 0.00 O ATOM 916 CB LEU A 61 2.663 3.158 -7.045 1.00 0.00 C ATOM 917 CG LEU A 61 1.293 2.492 -7.181 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.233 1.648 -8.444 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.989 1.644 -5.955 1.00 0.00 C ATOM 0 H LEU A 61 1.769 5.560 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 61 2.676 3.432 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.835 3.772 -7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.425 2.379 -7.045 1.00 0.00 H new ATOM 0 HG LEU A 61 0.536 3.273 -7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.251 1.182 -8.524 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.406 2.282 -9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.999 0.874 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.010 1.178 -6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.750 0.870 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.989 2.276 -5.067 1.00 0.00 H new ATOM 931 N GLN A 62 4.973 4.281 -4.630 1.00 0.00 N ATOM 932 CA GLN A 62 6.357 4.706 -4.454 1.00 0.00 C ATOM 933 C GLN A 62 7.321 3.577 -4.802 1.00 0.00 C ATOM 934 O GLN A 62 7.032 2.404 -4.567 1.00 0.00 O ATOM 935 CB GLN A 62 6.591 5.167 -3.015 1.00 0.00 C ATOM 936 CG GLN A 62 5.869 6.458 -2.664 1.00 0.00 C ATOM 937 CD GLN A 62 5.879 7.460 -3.802 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.902 7.665 -4.455 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.736 8.091 -4.045 1.00 0.00 N ATOM 0 H GLN A 62 4.579 3.786 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 62 6.544 5.540 -5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.265 4.381 -2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.661 5.304 -2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.838 6.231 -2.394 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.337 6.905 -1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.912 7.890 -3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.682 8.777 -4.798 1.00 0.00 H new ATOM 948 N LYS A 63 8.469 3.939 -5.365 1.00 0.00 N ATOM 949 CA LYS A 63 9.478 2.958 -5.746 1.00 0.00 C ATOM 950 C LYS A 63 10.873 3.431 -5.350 1.00 0.00 C ATOM 951 O LYS A 63 11.295 4.526 -5.720 1.00 0.00 O ATOM 952 CB LYS A 63 9.424 2.699 -7.253 1.00 0.00 C ATOM 953 CG LYS A 63 8.052 2.278 -7.749 1.00 0.00 C ATOM 954 CD LYS A 63 7.221 3.477 -8.175 1.00 0.00 C ATOM 955 CE LYS A 63 6.041 3.059 -9.039 1.00 0.00 C ATOM 956 NZ LYS A 63 5.233 4.230 -9.479 1.00 0.00 N ATOM 0 H LYS A 63 8.724 4.906 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 63 9.264 2.029 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.730 3.603 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.146 1.923 -7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.162 1.593 -8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.531 1.734 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.858 4.002 -7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.847 4.177 -8.727 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.404 2.519 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.408 2.370 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.401 3.899 -10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.921 4.769 -8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.811 4.841 -10.090 1.00 0.00 H new ATOM 970 N GLU A 64 11.585 2.597 -4.598 1.00 0.00 N ATOM 971 CA GLU A 64 12.933 2.931 -4.153 1.00 0.00 C ATOM 972 C GLU A 64 13.979 2.236 -5.020 1.00 0.00 C ATOM 973 O GLU A 64 13.645 1.555 -5.989 1.00 0.00 O ATOM 974 CB GLU A 64 13.124 2.535 -2.688 1.00 0.00 C ATOM 975 CG GLU A 64 13.934 3.540 -1.886 1.00 0.00 C ATOM 976 CD GLU A 64 13.518 4.973 -2.158 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.309 5.269 -2.057 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.402 5.798 -2.471 1.00 0.00 O ATOM 0 H GLU A 64 11.251 1.686 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 64 13.063 4.009 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.146 2.415 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.619 1.565 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.820 3.328 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.991 3.421 -2.123 1.00 0.00 H new ATOM 985 N ASP A 65 15.247 2.415 -4.664 1.00 0.00 N ATOM 986 CA ASP A 65 16.343 1.805 -5.407 1.00 0.00 C ATOM 987 C ASP A 65 16.064 0.329 -5.674 1.00 0.00 C ATOM 988 O ASP A 65 15.943 -0.094 -6.825 1.00 0.00 O ATOM 989 CB ASP A 65 17.656 1.958 -4.639 1.00 0.00 C ATOM 990 CG ASP A 65 18.352 3.271 -4.936 1.00 0.00 C ATOM 991 OD1 ASP A 65 19.019 3.364 -5.988 1.00 0.00 O ATOM 992 OD2 ASP A 65 18.230 4.207 -4.118 1.00 0.00 O ATOM 0 H ASP A 65 15.541 2.978 -3.865 1.00 0.00 H new ATOM 0 HA ASP A 65 16.430 2.319 -6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.458 1.889 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.321 1.132 -4.894 1.00 0.00 H new ATOM 997 N THR A 66 15.964 -0.452 -4.603 1.00 0.00 N ATOM 998 CA THR A 66 15.702 -1.881 -4.721 1.00 0.00 C ATOM 999 C THR A 66 14.472 -2.283 -3.914 1.00 0.00 C ATOM 1000 O THR A 66 14.067 -3.445 -3.919 1.00 0.00 O ATOM 1001 CB THR A 66 16.907 -2.714 -4.248 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.489 -2.117 -3.083 1.00 0.00 O ATOM 1003 CG2 THR A 66 17.955 -2.822 -5.345 1.00 0.00 C ATOM 0 H THR A 66 16.061 -0.119 -3.644 1.00 0.00 H new ATOM 0 HA THR A 66 15.522 -2.083 -5.777 1.00 0.00 H new ATOM 0 HB THR A 66 16.554 -3.716 -4.005 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.254 -2.654 -2.788 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.797 -3.415 -4.987 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.518 -3.303 -6.220 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.303 -1.825 -5.615 1.00 0.00 H new ATOM 1011 N VAL A 67 13.882 -1.314 -3.222 1.00 0.00 N ATOM 1012 CA VAL A 67 12.696 -1.567 -2.411 1.00 0.00 C ATOM 1013 C VAL A 67 11.521 -0.713 -2.874 1.00 0.00 C ATOM 1014 O VAL A 67 11.681 0.470 -3.176 1.00 0.00 O ATOM 1015 CB VAL A 67 12.966 -1.285 -0.921 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.693 0.040 -0.751 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.664 -1.293 -0.134 1.00 0.00 C ATOM 0 H VAL A 67 14.205 -0.347 -3.206 1.00 0.00 H new ATOM 0 HA VAL A 67 12.446 -2.621 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 67 13.606 -2.075 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.875 0.222 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.644 0.004 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.081 0.845 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.873 -1.092 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.998 -0.524 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.187 -2.269 -0.229 1.00 0.00 H new ATOM 1027 N ARG A 68 10.341 -1.320 -2.928 1.00 0.00 N ATOM 1028 CA ARG A 68 9.138 -0.616 -3.355 1.00 0.00 C ATOM 1029 C ARG A 68 8.305 -0.183 -2.152 1.00 0.00 C ATOM 1030 O ARG A 68 8.401 -0.771 -1.075 1.00 0.00 O ATOM 1031 CB ARG A 68 8.300 -1.505 -4.276 1.00 0.00 C ATOM 1032 CG ARG A 68 8.983 -1.833 -5.593 1.00 0.00 C ATOM 1033 CD ARG A 68 8.673 -0.790 -6.656 1.00 0.00 C ATOM 1034 NE ARG A 68 7.475 -1.126 -7.420 1.00 0.00 N ATOM 1035 CZ ARG A 68 6.266 -0.653 -7.138 1.00 0.00 C ATOM 1036 NH1 ARG A 68 6.096 0.172 -6.115 1.00 0.00 N ATOM 1037 NH2 ARG A 68 5.225 -1.005 -7.881 1.00 0.00 N ATOM 0 H ARG A 68 10.192 -2.298 -2.681 1.00 0.00 H new ATOM 0 HA ARG A 68 9.445 0.275 -3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.067 -2.434 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.352 -1.008 -4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.061 -1.890 -5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.658 -2.814 -5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.539 0.182 -6.182 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.522 -0.700 -7.334 1.00 0.00 H new ATOM 0 HE ARG A 68 7.572 -1.759 -8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.894 0.445 -5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.167 0.534 -5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.352 -1.639 -8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.297 -0.641 -7.664 1.00 0.00 H new ATOM 1051 N ARG A 69 7.489 0.848 -2.344 1.00 0.00 N ATOM 1052 CA ARG A 69 6.641 1.361 -1.275 1.00 0.00 C ATOM 1053 C ARG A 69 5.331 1.907 -1.834 1.00 0.00 C ATOM 1054 O ARG A 69 5.301 2.490 -2.919 1.00 0.00 O ATOM 1055 CB ARG A 69 7.372 2.456 -0.496 1.00 0.00 C ATOM 1056 CG ARG A 69 8.483 1.931 0.397 1.00 0.00 C ATOM 1057 CD ARG A 69 8.744 2.863 1.570 1.00 0.00 C ATOM 1058 NE ARG A 69 9.633 3.963 1.207 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.292 4.700 2.095 1.00 0.00 C ATOM 1060 NH1 ARG A 69 10.162 4.454 3.391 1.00 0.00 N ATOM 1061 NH2 ARG A 69 11.083 5.684 1.687 1.00 0.00 N ATOM 0 H ARG A 69 7.397 1.345 -3.230 1.00 0.00 H new ATOM 0 HA ARG A 69 6.412 0.536 -0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.793 3.172 -1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.651 2.997 0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.215 0.942 0.769 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.396 1.815 -0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.798 3.266 1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.184 2.297 2.392 1.00 0.00 H new ATOM 0 HE ARG A 69 9.755 4.178 0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.555 3.698 3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.669 5.021 4.071 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.186 5.876 0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.588 6.249 2.370 1.00 0.00 H new ATOM 1075 N LEU A 70 4.249 1.714 -1.088 1.00 0.00 N ATOM 1076 CA LEU A 70 2.934 2.187 -1.509 1.00 0.00 C ATOM 1077 C LEU A 70 2.399 3.239 -0.543 1.00 0.00 C ATOM 1078 O LEU A 70 2.077 2.936 0.606 1.00 0.00 O ATOM 1079 CB LEU A 70 1.955 1.016 -1.600 1.00 0.00 C ATOM 1080 CG LEU A 70 0.470 1.375 -1.524 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.106 2.375 -2.611 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.388 0.124 -1.638 1.00 0.00 C ATOM 0 H LEU A 70 4.256 1.233 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 70 3.037 2.644 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.134 0.491 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.181 0.316 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 70 0.277 1.836 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.954 2.618 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.696 3.283 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.315 1.942 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.441 0.399 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.191 -0.367 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.147 -0.558 -0.823 1.00 0.00 H new ATOM 1094 N VAL A 71 2.304 4.477 -1.018 1.00 0.00 N ATOM 1095 CA VAL A 71 1.804 5.574 -0.198 1.00 0.00 C ATOM 1096 C VAL A 71 0.415 6.010 -0.651 1.00 0.00 C ATOM 1097 O VAL A 71 0.164 6.177 -1.845 1.00 0.00 O ATOM 1098 CB VAL A 71 2.752 6.787 -0.245 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.154 7.962 0.515 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.117 6.418 0.317 1.00 0.00 C ATOM 0 H VAL A 71 2.567 4.745 -1.966 1.00 0.00 H new ATOM 0 HA VAL A 71 1.749 5.205 0.826 1.00 0.00 H new ATOM 0 HB VAL A 71 2.881 7.085 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.838 8.810 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.202 8.240 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.994 7.679 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.774 7.287 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.009 6.093 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.547 5.609 -0.274 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.484 6.194 0.310 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.849 6.613 0.010 1.00 0.00 C ATOM 1112 C LEU A 72 -2.156 7.964 0.648 1.00 0.00 C ATOM 1113 O LEU A 72 -2.388 8.071 1.852 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.845 5.563 0.506 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.871 4.244 -0.267 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.646 3.407 0.064 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.146 3.472 0.040 1.00 0.00 C ATOM 0 H LEU A 72 -0.293 6.060 1.303 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.944 6.713 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.622 5.345 1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.844 5.997 0.478 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.854 4.469 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.682 2.472 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.745 3.958 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.631 3.190 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.148 2.536 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.193 3.258 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.011 4.069 -0.249 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.162 9.020 -0.179 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.443 10.384 0.281 1.00 0.00 C ATOM 1131 C PRO A 73 -3.901 10.569 0.687 1.00 0.00 C ATOM 1132 O PRO A 73 -4.259 11.569 1.309 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.114 11.245 -0.940 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.293 10.334 -2.105 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.895 8.966 -1.626 1.00 0.00 C ATOM 0 HA PRO A 73 -1.866 10.642 1.169 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.777 12.108 -1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.095 11.629 -0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.327 10.341 -2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.674 10.649 -2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.478 8.184 -2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.845 8.757 -1.833 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.738 9.600 0.332 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.156 9.656 0.662 1.00 0.00 C ATOM 1145 C ALA A 74 -6.792 8.272 0.589 1.00 0.00 C ATOM 1146 O ALA A 74 -7.026 7.741 -0.497 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.877 10.619 -0.270 1.00 0.00 C ATOM 0 H ALA A 74 -4.458 8.766 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.251 10.018 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.936 10.651 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.448 11.616 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.765 10.281 -1.300 1.00 0.00 H new ATOM 1153 N VAL A 75 -7.069 7.691 1.753 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.678 6.368 1.821 1.00 0.00 C ATOM 1155 C VAL A 75 -9.163 6.464 2.153 1.00 0.00 C ATOM 1156 O VAL A 75 -9.666 7.535 2.489 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.984 5.484 2.873 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.483 5.730 2.871 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.572 5.738 4.253 1.00 0.00 C ATOM 0 H VAL A 75 -6.881 8.116 2.661 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.557 5.912 0.838 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.157 4.439 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.009 5.096 3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.077 5.494 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.286 6.777 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.070 5.105 4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.431 6.785 4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.637 5.506 4.243 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.859 5.335 2.057 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.287 5.292 2.347 1.00 0.00 C ATOM 1171 C GLN A 76 -11.638 4.058 3.172 1.00 0.00 C ATOM 1172 O GLN A 76 -10.987 3.018 3.061 1.00 0.00 O ATOM 1173 CB GLN A 76 -12.094 5.297 1.047 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.747 6.451 0.121 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.166 7.796 0.681 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.659 7.887 1.805 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -11.971 8.851 -0.102 1.00 0.00 N ATOM 0 H GLN A 76 -9.457 4.439 1.781 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.541 6.179 2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.926 4.357 0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.156 5.342 1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.672 6.456 -0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.232 6.296 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.559 8.730 -1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.233 9.782 0.222 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.670 4.179 4.000 1.00 0.00 N ATOM 1187 CA LEU A 77 -13.107 3.074 4.844 1.00 0.00 C ATOM 1188 C LEU A 77 -13.329 1.811 4.018 1.00 0.00 C ATOM 1189 O LEU A 77 -13.019 0.706 4.461 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.395 3.447 5.581 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.361 4.755 6.372 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.690 4.989 7.074 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.219 4.740 7.378 1.00 0.00 C ATOM 0 H LEU A 77 -13.219 5.032 4.104 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.322 2.875 5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.203 3.508 4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.645 2.637 6.267 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.193 5.575 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.647 5.924 7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.488 5.044 6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.889 4.166 7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.210 5.679 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.356 3.910 8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.272 4.620 6.852 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.864 1.985 2.813 1.00 0.00 N ATOM 1206 CA GLU A 78 -14.125 0.859 1.924 1.00 0.00 C ATOM 1207 C GLU A 78 -12.821 0.197 1.488 1.00 0.00 C ATOM 1208 O GLU A 78 -12.748 -1.024 1.351 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.911 1.322 0.696 1.00 0.00 C ATOM 1210 CG GLU A 78 -16.293 1.861 1.025 1.00 0.00 C ATOM 1211 CD GLU A 78 -17.119 0.888 1.844 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -16.893 0.804 3.069 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -17.990 0.210 1.260 1.00 0.00 O ATOM 0 H GLU A 78 -14.125 2.894 2.431 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.719 0.127 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.342 2.096 0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.012 0.486 0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.192 2.798 1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.820 2.089 0.099 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.795 1.012 1.270 1.00 0.00 N ATOM 1221 CA ASP A 79 -10.493 0.507 0.849 1.00 0.00 C ATOM 1222 C ASP A 79 -9.968 -0.531 1.836 1.00 0.00 C ATOM 1223 O ASP A 79 -9.299 -1.488 1.448 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.494 1.657 0.719 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.845 2.604 -0.411 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -11.021 2.619 -0.829 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -8.943 3.331 -0.879 1.00 0.00 O ATOM 0 H ASP A 79 -11.839 2.025 1.378 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.613 0.029 -0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.459 2.212 1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.496 1.251 0.552 1.00 0.00 H new ATOM 1232 N SER A 80 -10.275 -0.333 3.114 1.00 0.00 N ATOM 1233 CA SER A 80 -9.831 -1.249 4.158 1.00 0.00 C ATOM 1234 C SER A 80 -9.982 -2.699 3.709 1.00 0.00 C ATOM 1235 O SER A 80 -11.083 -3.153 3.399 1.00 0.00 O ATOM 1236 CB SER A 80 -10.626 -1.015 5.444 1.00 0.00 C ATOM 1237 OG SER A 80 -11.917 -1.592 5.357 1.00 0.00 O ATOM 0 H SER A 80 -10.830 0.454 3.451 1.00 0.00 H new ATOM 0 HA SER A 80 -8.776 -1.055 4.352 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.089 -1.443 6.290 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.714 0.055 5.631 1.00 0.00 H new ATOM 0 HG SER A 80 -12.557 -0.917 5.049 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.867 -3.422 3.678 1.00 0.00 N ATOM 1244 CA GLY A 81 -8.896 -4.813 3.266 1.00 0.00 C ATOM 1245 C GLY A 81 -7.530 -5.467 3.333 1.00 0.00 C ATOM 1246 O GLY A 81 -6.796 -5.285 4.304 1.00 0.00 O ATOM 0 H GLY A 81 -7.944 -3.069 3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.590 -5.363 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.277 -4.879 2.247 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.189 -6.231 2.300 1.00 0.00 N ATOM 1251 CA GLU A 82 -5.903 -6.915 2.248 1.00 0.00 C ATOM 1252 C GLU A 82 -5.145 -6.554 0.974 1.00 0.00 C ATOM 1253 O GLU A 82 -5.673 -6.676 -0.131 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.103 -8.430 2.324 1.00 0.00 C ATOM 1255 CG GLU A 82 -4.947 -9.165 2.981 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.122 -9.306 4.481 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -6.269 -9.173 4.958 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -4.114 -9.547 5.177 1.00 0.00 O ATOM 0 H GLU A 82 -7.785 -6.392 1.488 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.313 -6.590 3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.018 -8.640 2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.245 -8.820 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.851 -10.155 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.019 -8.632 2.776 1.00 0.00 H new ATOM 1265 N TYR A 83 -3.904 -6.108 1.137 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.074 -5.726 0.001 1.00 0.00 C ATOM 1267 C TYR A 83 -2.042 -6.807 -0.308 1.00 0.00 C ATOM 1268 O TYR A 83 -1.056 -6.964 0.413 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.370 -4.398 0.281 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.248 -3.187 0.058 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.281 -2.883 0.936 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -3.046 -2.349 -1.031 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.087 -1.779 0.735 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.846 -1.242 -1.239 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.865 -0.961 -0.353 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.664 0.140 -0.557 1.00 0.00 O ATOM 0 H TYR A 83 -3.451 -6.002 2.045 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.722 -5.610 -0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.016 -4.395 1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.490 -4.321 -0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.457 -3.520 1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.250 -2.567 -1.727 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.887 -1.558 1.426 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.674 -0.600 -2.091 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.374 0.609 -1.367 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.277 -7.549 -1.384 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.368 -8.615 -1.791 1.00 0.00 C ATOM 1288 C LEU A 84 -0.434 -8.141 -2.901 1.00 0.00 C ATOM 1289 O LEU A 84 -0.866 -7.902 -4.029 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.161 -9.835 -2.263 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.441 -10.903 -1.205 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -1.203 -11.752 -0.962 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.911 -10.259 0.092 1.00 0.00 C ATOM 0 H LEU A 84 -3.089 -7.432 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.764 -8.893 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.114 -9.491 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.618 -10.300 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.235 -11.552 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.422 -12.506 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.910 -12.243 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.388 -11.116 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.106 -11.034 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.139 -9.586 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.826 -9.695 -0.092 1.00 0.00 H new ATOM 1305 N CYS A 85 0.846 -8.010 -2.573 1.00 0.00 N ATOM 1306 CA CYS A 85 1.842 -7.567 -3.543 1.00 0.00 C ATOM 1307 C CYS A 85 2.523 -8.759 -4.207 1.00 0.00 C ATOM 1308 O CYS A 85 3.338 -9.443 -3.589 1.00 0.00 O ATOM 1309 CB CYS A 85 2.886 -6.680 -2.863 1.00 0.00 C ATOM 1310 SG CYS A 85 4.109 -5.979 -3.995 1.00 0.00 S ATOM 0 H CYS A 85 1.219 -8.204 -1.644 1.00 0.00 H new ATOM 0 HA CYS A 85 1.331 -6.989 -4.314 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.376 -5.866 -2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.404 -7.264 -2.102 1.00 0.00 H new ATOM 0 HG CYS A 85 4.014 -4.683 -3.988 1.00 0.00 H new ATOM 1316 N GLU A 86 2.181 -9.001 -5.469 1.00 0.00 N ATOM 1317 CA GLU A 86 2.759 -10.113 -6.215 1.00 0.00 C ATOM 1318 C GLU A 86 3.806 -9.616 -7.208 1.00 0.00 C ATOM 1319 O GLU A 86 3.599 -8.616 -7.895 1.00 0.00 O ATOM 1320 CB GLU A 86 1.663 -10.883 -6.956 1.00 0.00 C ATOM 1321 CG GLU A 86 0.359 -10.982 -6.182 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.431 -12.229 -6.527 1.00 0.00 C ATOM 1323 OE1 GLU A 86 0.193 -13.242 -6.905 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -1.675 -12.191 -6.419 1.00 0.00 O ATOM 0 H GLU A 86 1.508 -8.443 -5.995 1.00 0.00 H new ATOM 0 HA GLU A 86 3.245 -10.781 -5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.472 -10.396 -7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.022 -11.888 -7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.574 -10.977 -5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.250 -10.102 -6.389 1.00 0.00 H new ATOM 1331 N ILE A 87 4.930 -10.322 -7.275 1.00 0.00 N ATOM 1332 CA ILE A 87 6.009 -9.954 -8.183 1.00 0.00 C ATOM 1333 C ILE A 87 6.078 -10.908 -9.371 1.00 0.00 C ATOM 1334 O ILE A 87 6.031 -10.483 -10.525 1.00 0.00 O ATOM 1335 CB ILE A 87 7.371 -9.947 -7.465 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.495 -10.262 -8.453 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.371 -10.947 -6.318 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.802 -9.575 -8.122 1.00 0.00 C ATOM 0 H ILE A 87 5.117 -11.151 -6.712 1.00 0.00 H new ATOM 0 HA ILE A 87 5.791 -8.948 -8.541 1.00 0.00 H new ATOM 0 HB ILE A 87 7.543 -8.952 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.656 -11.340 -8.476 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.181 -9.965 -9.454 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.341 -10.930 -5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.592 -10.681 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.180 -11.947 -6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.553 -9.844 -8.865 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.657 -8.495 -8.128 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.139 -9.890 -7.135 1.00 0.00 H new ATOM 1350 N ASP A 88 6.188 -12.199 -9.079 1.00 0.00 N ATOM 1351 CA ASP A 88 6.261 -13.215 -10.123 1.00 0.00 C ATOM 1352 C ASP A 88 5.351 -14.395 -9.797 1.00 0.00 C ATOM 1353 O ASP A 88 4.306 -14.577 -10.422 1.00 0.00 O ATOM 1354 CB ASP A 88 7.702 -13.699 -10.294 1.00 0.00 C ATOM 1355 CG ASP A 88 8.007 -14.117 -11.719 1.00 0.00 C ATOM 1356 OD1 ASP A 88 7.110 -14.688 -12.375 1.00 0.00 O ATOM 1357 OD2 ASP A 88 9.141 -13.872 -12.179 1.00 0.00 O ATOM 0 H ASP A 88 6.229 -12.567 -8.129 1.00 0.00 H new ATOM 0 HA ASP A 88 5.924 -12.766 -11.057 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.387 -12.905 -9.997 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.881 -14.541 -9.625 1.00 0.00 H new ATOM 1362 N ASP A 89 5.756 -15.194 -8.816 1.00 0.00 N ATOM 1363 CA ASP A 89 4.977 -16.357 -8.406 1.00 0.00 C ATOM 1364 C ASP A 89 4.559 -16.244 -6.943 1.00 0.00 C ATOM 1365 O ASP A 89 3.645 -16.935 -6.494 1.00 0.00 O ATOM 1366 CB ASP A 89 5.783 -17.639 -8.622 1.00 0.00 C ATOM 1367 CG ASP A 89 5.944 -17.982 -10.090 1.00 0.00 C ATOM 1368 OD1 ASP A 89 6.776 -17.338 -10.762 1.00 0.00 O ATOM 1369 OD2 ASP A 89 5.237 -18.895 -10.566 1.00 0.00 O ATOM 0 H ASP A 89 6.619 -15.058 -8.290 1.00 0.00 H new ATOM 0 HA ASP A 89 4.077 -16.395 -9.020 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.768 -17.526 -8.168 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.289 -18.465 -8.111 1.00 0.00 H new ATOM 1374 N GLU A 90 5.236 -15.369 -6.206 1.00 0.00 N ATOM 1375 CA GLU A 90 4.936 -15.168 -4.793 1.00 0.00 C ATOM 1376 C GLU A 90 4.216 -13.840 -4.574 1.00 0.00 C ATOM 1377 O GLU A 90 4.159 -12.998 -5.469 1.00 0.00 O ATOM 1378 CB GLU A 90 6.221 -15.207 -3.965 1.00 0.00 C ATOM 1379 CG GLU A 90 7.446 -14.717 -4.719 1.00 0.00 C ATOM 1380 CD GLU A 90 7.929 -15.710 -5.757 1.00 0.00 C ATOM 1381 OE1 GLU A 90 8.527 -16.734 -5.364 1.00 0.00 O ATOM 1382 OE2 GLU A 90 7.710 -15.465 -6.961 1.00 0.00 O ATOM 0 H GLU A 90 5.995 -14.789 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 90 4.280 -15.976 -4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.086 -14.597 -3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.396 -16.229 -3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.213 -13.771 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.249 -14.519 -4.009 1.00 0.00 H new ATOM 1389 N SER A 91 3.669 -13.661 -3.376 1.00 0.00 N ATOM 1390 CA SER A 91 2.950 -12.438 -3.039 1.00 0.00 C ATOM 1391 C SER A 91 3.133 -12.089 -1.565 1.00 0.00 C ATOM 1392 O SER A 91 3.279 -12.972 -0.720 1.00 0.00 O ATOM 1393 CB SER A 91 1.461 -12.593 -3.357 1.00 0.00 C ATOM 1394 OG SER A 91 0.909 -13.711 -2.684 1.00 0.00 O ATOM 0 H SER A 91 3.710 -14.347 -2.623 1.00 0.00 H new ATOM 0 HA SER A 91 3.360 -11.627 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.927 -11.689 -3.064 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.326 -12.709 -4.432 1.00 0.00 H new ATOM 0 HG SER A 91 0.005 -13.883 -3.022 1.00 0.00 H new ATOM 1400 N ALA A 92 3.123 -10.794 -1.265 1.00 0.00 N ATOM 1401 CA ALA A 92 3.285 -10.327 0.106 1.00 0.00 C ATOM 1402 C ALA A 92 1.949 -9.894 0.701 1.00 0.00 C ATOM 1403 O ALA A 92 1.183 -9.169 0.066 1.00 0.00 O ATOM 1404 CB ALA A 92 4.285 -9.181 0.158 1.00 0.00 C ATOM 0 H ALA A 92 3.004 -10.050 -1.953 1.00 0.00 H new ATOM 0 HA ALA A 92 3.666 -11.155 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.396 -8.842 1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.249 -9.522 -0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.926 -8.357 -0.459 1.00 0.00 H new ATOM 1410 N SER A 93 1.676 -10.343 1.921 1.00 0.00 N ATOM 1411 CA SER A 93 0.430 -10.005 2.600 1.00 0.00 C ATOM 1412 C SER A 93 0.568 -8.694 3.368 1.00 0.00 C ATOM 1413 O SER A 93 1.484 -8.527 4.174 1.00 0.00 O ATOM 1414 CB SER A 93 0.023 -11.129 3.554 1.00 0.00 C ATOM 1415 OG SER A 93 -0.992 -10.699 4.444 1.00 0.00 O ATOM 0 H SER A 93 2.301 -10.942 2.460 1.00 0.00 H new ATOM 0 HA SER A 93 -0.345 -9.882 1.844 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.330 -11.986 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.892 -11.461 4.122 1.00 0.00 H new ATOM 0 HG SER A 93 -1.348 -11.471 4.932 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.348 -7.766 3.113 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.329 -6.469 3.780 1.00 0.00 C ATOM 1423 C PHE A 94 -1.723 -6.091 4.272 1.00 0.00 C ATOM 1424 O PHE A 94 -2.561 -5.620 3.501 1.00 0.00 O ATOM 1425 CB PHE A 94 0.199 -5.392 2.830 1.00 0.00 C ATOM 1426 CG PHE A 94 1.686 -5.451 2.624 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.553 -4.993 3.602 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.216 -5.965 1.451 1.00 0.00 C ATOM 1429 CE1 PHE A 94 3.922 -5.046 3.416 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.583 -6.022 1.259 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.437 -5.561 2.242 1.00 0.00 C ATOM 0 H PHE A 94 -1.113 -7.888 2.449 1.00 0.00 H new ATOM 0 HA PHE A 94 0.334 -6.540 4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.298 -5.495 1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.067 -4.410 3.223 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.155 -4.589 4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.553 -6.325 0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.587 -4.686 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.984 -6.427 0.341 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.506 -5.603 2.093 1.00 0.00 H new ATOM 1441 N THR A 95 -1.966 -6.299 5.562 1.00 0.00 N ATOM 1442 CA THR A 95 -3.257 -5.982 6.158 1.00 0.00 C ATOM 1443 C THR A 95 -3.362 -4.497 6.485 1.00 0.00 C ATOM 1444 O THR A 95 -2.537 -3.953 7.220 1.00 0.00 O ATOM 1445 CB THR A 95 -3.499 -6.798 7.443 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.550 -8.195 7.134 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.795 -6.374 8.117 1.00 0.00 C ATOM 0 H THR A 95 -1.284 -6.686 6.215 1.00 0.00 H new ATOM 0 HA THR A 95 -4.017 -6.244 5.422 1.00 0.00 H new ATOM 0 HB THR A 95 -2.673 -6.609 8.129 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.582 -8.314 6.162 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.945 -6.964 9.022 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.741 -5.317 8.378 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.630 -6.537 7.435 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.382 -3.845 5.936 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.596 -2.422 6.171 1.00 0.00 C ATOM 1457 C VAL A 96 -6.038 -2.143 6.578 1.00 0.00 C ATOM 1458 O VAL A 96 -6.947 -2.173 5.747 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.256 -1.590 4.920 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.526 -0.114 5.172 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.809 -1.813 4.509 1.00 0.00 C ATOM 0 H VAL A 96 -5.073 -4.280 5.325 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.930 -2.131 6.984 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.896 -1.918 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.280 0.459 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.579 0.027 5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.912 0.231 6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.586 -1.218 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.149 -1.513 5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.653 -2.868 4.285 1.00 0.00 H new ATOM 1471 N THR A 97 -6.243 -1.871 7.863 1.00 0.00 N ATOM 1472 CA THR A 97 -7.575 -1.587 8.381 1.00 0.00 C ATOM 1473 C THR A 97 -7.768 -0.092 8.610 1.00 0.00 C ATOM 1474 O THR A 97 -7.045 0.525 9.391 1.00 0.00 O ATOM 1475 CB THR A 97 -7.835 -2.335 9.702 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.704 -3.747 9.500 1.00 0.00 O ATOM 1477 CG2 THR A 97 -9.224 -2.021 10.238 1.00 0.00 C ATOM 0 H THR A 97 -5.503 -1.841 8.564 1.00 0.00 H new ATOM 0 HA THR A 97 -8.287 -1.932 7.631 1.00 0.00 H new ATOM 0 HB THR A 97 -7.097 -2.003 10.433 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.869 -4.215 10.345 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.384 -2.561 11.171 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.311 -0.950 10.419 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.973 -2.327 9.508 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.750 0.484 7.923 1.00 0.00 N ATOM 1486 CA VAL A 98 -9.040 1.907 8.053 1.00 0.00 C ATOM 1487 C VAL A 98 -10.153 2.151 9.066 1.00 0.00 C ATOM 1488 O VAL A 98 -11.010 1.293 9.283 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.447 2.523 6.702 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.693 4.017 6.847 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -8.382 2.250 5.650 1.00 0.00 C ATOM 0 H VAL A 98 -9.357 -0.013 7.271 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.125 2.386 8.401 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.377 2.057 6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.980 4.434 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.494 4.186 7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.782 4.503 7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.686 2.692 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.436 2.688 5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.260 1.174 5.526 1.00 0.00 H new ATOM 1501 N THR A 99 -10.136 3.328 9.685 1.00 0.00 N ATOM 1502 CA THR A 99 -11.144 3.685 10.675 1.00 0.00 C ATOM 1503 C THR A 99 -11.432 5.181 10.651 1.00 0.00 C ATOM 1504 O THR A 99 -10.768 5.939 9.944 1.00 0.00 O ATOM 1505 CB THR A 99 -10.703 3.281 12.095 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.370 3.740 12.344 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.768 1.772 12.273 1.00 0.00 C ATOM 0 H THR A 99 -9.435 4.050 9.518 1.00 0.00 H new ATOM 0 HA THR A 99 -12.051 3.139 10.415 1.00 0.00 H new ATOM 0 HB THR A 99 -11.384 3.744 12.809 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.098 3.480 13.249 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.452 1.511 13.283 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.791 1.430 12.113 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.108 1.292 11.551 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.426 5.601 11.429 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.801 7.008 11.495 1.00 0.00 C ATOM 1517 C GLU A 100 -11.875 7.774 12.436 1.00 0.00 C ATOM 1518 O GLU A 100 -11.570 7.332 13.544 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.251 7.151 11.961 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.247 6.407 11.088 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.512 6.032 11.835 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.453 5.105 12.671 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.560 6.663 11.585 1.00 0.00 O ATOM 0 H GLU A 100 -12.985 4.987 12.021 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.705 7.430 10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.333 6.784 12.984 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.515 8.208 11.979 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.507 7.027 10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.779 5.503 10.698 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.416 8.951 11.985 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.518 9.804 12.770 1.00 0.00 C ATOM 1532 C PRO A 101 -11.216 10.426 13.974 1.00 0.00 C ATOM 1533 O PRO A 101 -12.443 10.430 14.078 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.100 10.889 11.774 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.211 10.944 10.784 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.738 9.540 10.674 1.00 0.00 C ATOM 0 HA PRO A 101 -9.681 9.243 13.186 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -9.964 11.850 12.270 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.154 10.641 11.293 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.992 11.629 11.112 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.856 11.304 9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.811 9.527 10.480 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.261 8.994 9.860 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.418 10.967 14.907 1.00 0.00 N ATOM 1545 CA PRO A 102 -10.938 11.603 16.121 1.00 0.00 C ATOM 1546 C PRO A 102 -11.649 12.920 15.826 1.00 0.00 C ATOM 1547 O PRO A 102 -11.519 13.476 14.736 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.681 11.850 16.959 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.574 11.935 15.965 1.00 0.00 C ATOM 1550 CD PRO A 102 -8.947 10.998 14.849 1.00 0.00 C ATOM 0 HA PRO A 102 -11.683 10.983 16.619 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.765 12.770 17.537 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.514 11.041 17.670 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.458 12.954 15.596 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.623 11.648 16.414 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.590 11.360 13.885 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.518 10.007 14.996 1.00 0.00 H new