USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=28 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 47 TYR OH : rot 158:sc= 1.22 USER MOD Set 1.2: A 101 TYR OH : rot -136:sc= 1.4 USER MOD Set 2.1: A 44 LYS NZ :NH3+ -178:sc= 1.02 (180deg=-0.204) USER MOD Set 2.2: A 49 SER OG : rot 86:sc= -0.318! USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.2! K(o=-3.2!,f=-1.7) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.824 X(o=-0.82,f=-0.55) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.99! C(o=-2!,f=-4.5!) USER MOD Single : A 23 THR OG1 : rot -35:sc= 0.0713 USER MOD Single : A 26 SER OG : rot -170:sc= -2.66! USER MOD Single : A 27 LYS NZ :NH3+ -170:sc=-0.00144 (180deg=-0.113) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -76:sc= 1.28 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -107:sc= 1.1 USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.02) USER MOD Single : A 68 MET CE :methyl -141:sc= -0.126 (180deg=-0.659) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0551) USER MOD Single : A 71 ASN : amide:sc= -3.42! C(o=-3.4!,f=-4.3!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.952 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.871 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 1.16 K(o=1.2,f=-0.15) USER MOD Single : A 89 THR OG1 : rot 71:sc= 1.12 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 98:sc= 1.21 USER MOD Single : A 96 LYS NZ :NH3+ 147:sc= 1.26 (180deg=0.552) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N LEU A 9 -14.283 2.388 8.375 1.00 0.00 N ATOM 136 CA LEU A 9 -13.241 2.318 7.400 1.00 0.00 C ATOM 137 C LEU A 9 -13.326 1.006 6.660 1.00 0.00 C ATOM 138 O LEU A 9 -14.308 0.303 6.817 1.00 0.00 O ATOM 139 CB LEU A 9 -11.861 2.617 7.999 1.00 0.00 C ATOM 140 CG LEU A 9 -11.409 1.887 9.266 1.00 0.00 C ATOM 141 CD1 LEU A 9 -11.374 0.380 9.095 1.00 0.00 C ATOM 142 CD2 LEU A 9 -10.048 2.388 9.617 1.00 0.00 C ATOM 0 HA LEU A 9 -13.385 3.109 6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.120 2.416 7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.821 3.686 8.208 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.129 2.090 10.059 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.046 -0.084 10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.371 0.019 8.841 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.680 0.121 8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.697 1.886 10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.362 2.182 8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.090 3.463 9.794 1.00 0.00 H new ATOM 154 N GLU A 10 -12.328 0.672 5.879 1.00 0.00 N ATOM 155 CA GLU A 10 -12.419 -0.478 5.003 1.00 0.00 C ATOM 156 C GLU A 10 -11.430 -1.591 5.270 1.00 0.00 C ATOM 157 O GLU A 10 -10.461 -1.454 6.028 1.00 0.00 O ATOM 158 CB GLU A 10 -12.267 -0.008 3.579 1.00 0.00 C ATOM 159 CG GLU A 10 -13.391 0.865 3.148 1.00 0.00 C ATOM 160 CD GLU A 10 -14.681 0.077 2.986 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.384 -0.198 3.983 1.00 0.00 O ATOM 162 OE2 GLU A 10 -15.010 -0.285 1.849 1.00 0.00 O ATOM 0 H GLU A 10 -11.443 1.177 5.829 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.396 -0.920 5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.328 0.536 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.208 -0.873 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.538 1.658 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.137 1.347 2.204 1.00 0.00 H new ATOM 169 N GLU A 11 -11.730 -2.708 4.657 1.00 0.00 N ATOM 170 CA GLU A 11 -10.906 -3.816 4.548 1.00 0.00 C ATOM 171 C GLU A 11 -10.791 -4.121 3.102 1.00 0.00 C ATOM 172 O GLU A 11 -11.803 -4.313 2.405 1.00 0.00 O ATOM 173 CB GLU A 11 -11.448 -5.019 5.279 1.00 0.00 C ATOM 174 CG GLU A 11 -10.712 -6.304 4.907 1.00 0.00 C ATOM 175 CD GLU A 11 -11.134 -7.509 5.738 1.00 0.00 C ATOM 176 OE1 GLU A 11 -10.529 -7.753 6.817 1.00 0.00 O ATOM 177 OE2 GLU A 11 -12.088 -8.224 5.319 1.00 0.00 O ATOM 0 H GLU A 11 -12.630 -2.845 4.198 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.941 -3.592 5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.367 -4.855 6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.508 -5.132 5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.886 -6.521 3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.640 -6.147 5.027 1.00 0.00 H new ATOM 184 N PHE A 12 -9.617 -4.116 2.654 1.00 0.00 N ATOM 185 CA PHE A 12 -9.317 -4.403 1.319 1.00 0.00 C ATOM 186 C PHE A 12 -8.534 -5.646 1.237 1.00 0.00 C ATOM 187 O PHE A 12 -7.709 -5.874 2.069 1.00 0.00 O ATOM 188 CB PHE A 12 -8.462 -3.324 0.778 1.00 0.00 C ATOM 189 CG PHE A 12 -9.143 -2.024 0.465 1.00 0.00 C ATOM 190 CD1 PHE A 12 -9.720 -1.816 -0.775 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.198 -1.002 1.403 1.00 0.00 C ATOM 192 CE1 PHE A 12 -10.337 -0.620 -1.076 1.00 0.00 C ATOM 193 CE2 PHE A 12 -9.816 0.194 1.105 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.385 0.385 -0.135 1.00 0.00 C ATOM 0 H PHE A 12 -8.799 -3.904 3.225 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.250 -4.497 0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.665 -3.128 1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.988 -3.689 -0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.687 -2.600 -1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.752 -1.145 2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.782 -0.471 -2.049 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.854 0.981 1.844 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.868 1.322 -0.369 1.00 0.00 H new ATOM 204 N THR A 13 -8.762 -6.452 0.259 1.00 0.00 N ATOM 205 CA THR A 13 -7.928 -7.584 0.091 1.00 0.00 C ATOM 206 C THR A 13 -6.934 -7.221 -1.019 1.00 0.00 C ATOM 207 O THR A 13 -7.312 -6.536 -1.943 1.00 0.00 O ATOM 208 CB THR A 13 -8.756 -8.805 -0.276 1.00 0.00 C ATOM 209 OG1 THR A 13 -9.901 -8.865 0.594 1.00 0.00 O ATOM 210 CG2 THR A 13 -7.944 -10.046 -0.044 1.00 0.00 C ATOM 0 H THR A 13 -9.510 -6.349 -0.427 1.00 0.00 H new ATOM 0 HA THR A 13 -7.401 -7.837 1.011 1.00 0.00 H new ATOM 0 HB THR A 13 -9.059 -8.737 -1.321 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.444 -9.648 0.366 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.536 -10.923 -0.307 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.047 -10.015 -0.663 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.658 -10.103 1.006 1.00 0.00 H new ATOM 218 N ALA A 14 -5.686 -7.661 -0.918 1.00 0.00 N ATOM 219 CA ALA A 14 -4.609 -7.207 -1.835 1.00 0.00 C ATOM 220 C ALA A 14 -4.931 -7.348 -3.335 1.00 0.00 C ATOM 221 O ALA A 14 -4.695 -6.416 -4.106 1.00 0.00 O ATOM 222 CB ALA A 14 -3.286 -7.851 -1.489 1.00 0.00 C ATOM 0 H ALA A 14 -5.379 -8.333 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.532 -6.132 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.519 -7.498 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.008 -7.585 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.376 -8.934 -1.570 1.00 0.00 H new ATOM 228 N GLU A 15 -5.475 -8.479 -3.736 1.00 0.00 N ATOM 229 CA GLU A 15 -5.848 -8.699 -5.139 1.00 0.00 C ATOM 230 C GLU A 15 -7.006 -7.797 -5.549 1.00 0.00 C ATOM 231 O GLU A 15 -7.129 -7.394 -6.704 1.00 0.00 O ATOM 232 CB GLU A 15 -6.184 -10.158 -5.390 1.00 0.00 C ATOM 233 CG GLU A 15 -5.003 -11.091 -5.181 1.00 0.00 C ATOM 234 CD GLU A 15 -5.322 -12.522 -5.484 1.00 0.00 C ATOM 235 OE1 GLU A 15 -6.030 -13.174 -4.674 1.00 0.00 O ATOM 236 OE2 GLU A 15 -4.881 -13.021 -6.544 1.00 0.00 O ATOM 0 H GLU A 15 -5.673 -9.266 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.988 -8.439 -5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.996 -10.456 -4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.550 -10.269 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.176 -10.768 -5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.664 -11.012 -4.148 1.00 0.00 H new ATOM 243 N GLN A 16 -7.845 -7.495 -4.600 1.00 0.00 N ATOM 244 CA GLN A 16 -8.956 -6.597 -4.808 1.00 0.00 C ATOM 245 C GLN A 16 -8.472 -5.158 -4.836 1.00 0.00 C ATOM 246 O GLN A 16 -8.970 -4.336 -5.591 1.00 0.00 O ATOM 247 CB GLN A 16 -10.034 -6.799 -3.743 1.00 0.00 C ATOM 248 CG GLN A 16 -10.894 -8.051 -3.922 1.00 0.00 C ATOM 249 CD GLN A 16 -10.152 -9.376 -3.928 1.00 0.00 C ATOM 250 OE1 GLN A 16 -9.714 -9.851 -4.975 1.00 0.00 O ATOM 251 NE2 GLN A 16 -10.055 -9.998 -2.789 1.00 0.00 N ATOM 0 H GLN A 16 -7.781 -7.865 -3.652 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.406 -6.824 -5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.554 -6.843 -2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.687 -5.926 -3.738 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.634 -8.076 -3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.441 -7.960 -4.860 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.430 -9.572 -1.942 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.604 -10.912 -2.744 1.00 0.00 H new ATOM 260 N LEU A 17 -7.476 -4.881 -4.023 1.00 0.00 N ATOM 261 CA LEU A 17 -6.869 -3.575 -3.939 1.00 0.00 C ATOM 262 C LEU A 17 -6.146 -3.253 -5.231 1.00 0.00 C ATOM 263 O LEU A 17 -6.058 -2.103 -5.626 1.00 0.00 O ATOM 264 CB LEU A 17 -5.866 -3.529 -2.807 1.00 0.00 C ATOM 265 CG LEU A 17 -5.210 -2.178 -2.584 1.00 0.00 C ATOM 266 CD1 LEU A 17 -6.187 -1.180 -2.031 1.00 0.00 C ATOM 267 CD2 LEU A 17 -4.015 -2.298 -1.712 1.00 0.00 C ATOM 0 H LEU A 17 -7.061 -5.568 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.660 -2.847 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.366 -3.829 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.087 -4.266 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.877 -1.810 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.686 -0.224 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.012 -1.052 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.573 -1.539 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.567 -1.314 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.310 -2.705 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.289 -2.963 -2.179 1.00 0.00 H new ATOM 279 N SER A 18 -5.666 -4.298 -5.899 1.00 0.00 N ATOM 280 CA SER A 18 -4.922 -4.197 -7.161 1.00 0.00 C ATOM 281 C SER A 18 -5.785 -3.548 -8.257 1.00 0.00 C ATOM 282 O SER A 18 -5.294 -3.145 -9.316 1.00 0.00 O ATOM 283 CB SER A 18 -4.470 -5.613 -7.589 1.00 0.00 C ATOM 284 OG SER A 18 -3.622 -5.595 -8.731 1.00 0.00 O ATOM 0 H SER A 18 -5.783 -5.259 -5.577 1.00 0.00 H new ATOM 0 HA SER A 18 -4.048 -3.563 -7.015 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.947 -6.089 -6.760 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.349 -6.222 -7.803 1.00 0.00 H new ATOM 0 HG SER A 18 -3.363 -6.512 -8.960 1.00 0.00 H new ATOM 290 N GLN A 19 -7.046 -3.424 -7.977 1.00 0.00 N ATOM 291 CA GLN A 19 -7.994 -2.901 -8.919 1.00 0.00 C ATOM 292 C GLN A 19 -8.201 -1.406 -8.652 1.00 0.00 C ATOM 293 O GLN A 19 -8.670 -0.668 -9.503 1.00 0.00 O ATOM 294 CB GLN A 19 -9.296 -3.677 -8.771 1.00 0.00 C ATOM 295 CG GLN A 19 -9.071 -5.189 -8.810 1.00 0.00 C ATOM 296 CD GLN A 19 -10.334 -5.997 -8.625 1.00 0.00 C ATOM 297 OE1 GLN A 19 -11.425 -5.574 -9.003 1.00 0.00 O ATOM 298 NE2 GLN A 19 -10.198 -7.161 -8.036 1.00 0.00 N ATOM 0 H GLN A 19 -7.453 -3.685 -7.079 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.631 -3.013 -9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.774 -3.406 -7.830 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.980 -3.392 -9.570 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.617 -5.455 -9.764 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.359 -5.461 -8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.275 -7.477 -7.737 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.015 -7.751 -7.877 1.00 0.00 H new ATOM 307 N TYR A 20 -7.787 -0.974 -7.471 1.00 0.00 N ATOM 308 CA TYR A 20 -7.887 0.417 -7.018 1.00 0.00 C ATOM 309 C TYR A 20 -6.616 1.175 -7.384 1.00 0.00 C ATOM 310 O TYR A 20 -6.194 2.112 -6.701 1.00 0.00 O ATOM 311 CB TYR A 20 -8.124 0.447 -5.500 1.00 0.00 C ATOM 312 CG TYR A 20 -9.505 -0.023 -5.082 1.00 0.00 C ATOM 313 CD1 TYR A 20 -9.780 -1.367 -4.892 1.00 0.00 C ATOM 314 CD2 TYR A 20 -10.531 0.890 -4.877 1.00 0.00 C ATOM 315 CE1 TYR A 20 -11.036 -1.793 -4.508 1.00 0.00 C ATOM 316 CE2 TYR A 20 -11.792 0.476 -4.492 1.00 0.00 C ATOM 317 CZ TYR A 20 -12.039 -0.868 -4.309 1.00 0.00 C ATOM 318 OH TYR A 20 -13.297 -1.292 -3.918 1.00 0.00 O ATOM 0 H TYR A 20 -7.361 -1.591 -6.779 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.728 0.903 -7.512 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.376 -0.179 -5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.973 1.464 -5.139 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.998 -2.095 -5.047 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.340 1.943 -5.021 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -11.232 -2.845 -4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.578 1.200 -4.336 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.888 -0.516 -3.820 1.00 0.00 H new ATOM 328 N ASN A 21 -6.054 0.790 -8.508 1.00 0.00 N ATOM 329 CA ASN A 21 -4.830 1.370 -9.034 1.00 0.00 C ATOM 330 C ASN A 21 -5.099 2.730 -9.691 1.00 0.00 C ATOM 331 O ASN A 21 -4.179 3.464 -10.030 1.00 0.00 O ATOM 332 CB ASN A 21 -4.150 0.392 -10.012 1.00 0.00 C ATOM 333 CG ASN A 21 -4.987 0.060 -11.250 1.00 0.00 C ATOM 334 OD1 ASN A 21 -6.225 0.117 -11.237 1.00 0.00 O ATOM 335 ND2 ASN A 21 -4.329 -0.320 -12.306 1.00 0.00 N ATOM 0 H ASN A 21 -6.439 0.051 -9.096 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.146 1.545 -8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.200 0.819 -10.333 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.921 -0.533 -9.483 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.832 -0.581 -13.154 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.310 -0.357 -12.286 1.00 0.00 H new ATOM 342 N GLY A 22 -6.370 3.041 -9.891 1.00 0.00 N ATOM 343 CA GLY A 22 -6.744 4.359 -10.364 1.00 0.00 C ATOM 344 C GLY A 22 -6.901 4.491 -11.854 1.00 0.00 C ATOM 345 O GLY A 22 -7.548 5.412 -12.317 1.00 0.00 O ATOM 0 H GLY A 22 -7.151 2.404 -9.734 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.684 4.643 -9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.991 5.073 -10.031 1.00 0.00 H new ATOM 349 N THR A 23 -6.348 3.589 -12.611 1.00 0.00 N ATOM 350 CA THR A 23 -6.419 3.730 -14.050 1.00 0.00 C ATOM 351 C THR A 23 -7.720 3.138 -14.599 1.00 0.00 C ATOM 352 O THR A 23 -8.070 3.340 -15.759 1.00 0.00 O ATOM 353 CB THR A 23 -5.187 3.094 -14.742 1.00 0.00 C ATOM 354 OG1 THR A 23 -5.120 3.475 -16.125 1.00 0.00 O ATOM 355 CG2 THR A 23 -5.227 1.581 -14.656 1.00 0.00 C ATOM 0 H THR A 23 -5.852 2.764 -12.274 1.00 0.00 H new ATOM 0 HA THR A 23 -6.412 4.796 -14.275 1.00 0.00 H new ATOM 0 HB THR A 23 -4.304 3.461 -14.218 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.027 3.546 -16.489 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.349 1.165 -15.151 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.232 1.276 -13.610 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.128 1.212 -15.146 1.00 0.00 H new ATOM 363 N ASP A 24 -8.445 2.422 -13.768 1.00 0.00 N ATOM 364 CA ASP A 24 -9.679 1.828 -14.229 1.00 0.00 C ATOM 365 C ASP A 24 -10.811 2.822 -14.065 1.00 0.00 C ATOM 366 O ASP A 24 -11.446 2.869 -13.014 1.00 0.00 O ATOM 367 CB ASP A 24 -10.007 0.530 -13.483 1.00 0.00 C ATOM 368 CG ASP A 24 -11.211 -0.197 -14.068 1.00 0.00 C ATOM 369 OD1 ASP A 24 -11.036 -0.955 -15.046 1.00 0.00 O ATOM 370 OD2 ASP A 24 -12.329 -0.031 -13.559 1.00 0.00 O ATOM 0 H ASP A 24 -8.209 2.240 -12.792 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.556 1.574 -15.282 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.140 -0.130 -13.512 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.199 0.757 -12.434 1.00 0.00 H new ATOM 375 N GLU A 25 -10.976 3.703 -15.069 1.00 0.00 N ATOM 376 CA GLU A 25 -12.032 4.744 -15.079 1.00 0.00 C ATOM 377 C GLU A 25 -11.890 5.683 -13.914 1.00 0.00 C ATOM 378 O GLU A 25 -12.822 6.400 -13.536 1.00 0.00 O ATOM 379 CB GLU A 25 -13.403 4.120 -15.125 1.00 0.00 C ATOM 380 CG GLU A 25 -13.643 3.357 -16.390 1.00 0.00 C ATOM 381 CD GLU A 25 -13.521 4.243 -17.602 1.00 0.00 C ATOM 382 OE1 GLU A 25 -14.509 4.912 -17.961 1.00 0.00 O ATOM 383 OE2 GLU A 25 -12.435 4.305 -18.203 1.00 0.00 O ATOM 0 H GLU A 25 -10.383 3.717 -15.899 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.908 5.337 -15.985 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.523 3.451 -14.273 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.157 4.901 -15.026 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.927 2.538 -16.463 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.637 2.910 -16.363 1.00 0.00 H new ATOM 390 N SER A 26 -10.707 5.694 -13.410 1.00 0.00 N ATOM 391 CA SER A 26 -10.316 6.474 -12.297 1.00 0.00 C ATOM 392 C SER A 26 -11.059 6.062 -11.030 1.00 0.00 C ATOM 393 O SER A 26 -12.007 6.732 -10.585 1.00 0.00 O ATOM 394 CB SER A 26 -10.399 7.982 -12.591 1.00 0.00 C ATOM 395 OG SER A 26 -9.996 8.765 -11.488 1.00 0.00 O ATOM 0 H SER A 26 -9.947 5.127 -13.786 1.00 0.00 H new ATOM 0 HA SER A 26 -9.262 6.270 -12.107 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.771 8.218 -13.450 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.422 8.241 -12.863 1.00 0.00 H new ATOM 0 HG SER A 26 -10.212 9.706 -11.658 1.00 0.00 H new ATOM 401 N LYS A 27 -10.691 4.898 -10.519 1.00 0.00 N ATOM 402 CA LYS A 27 -11.176 4.439 -9.224 1.00 0.00 C ATOM 403 C LYS A 27 -10.402 5.197 -8.149 1.00 0.00 C ATOM 404 O LYS A 27 -9.385 5.825 -8.466 1.00 0.00 O ATOM 405 CB LYS A 27 -10.937 2.922 -9.019 1.00 0.00 C ATOM 406 CG LYS A 27 -11.622 1.987 -10.000 1.00 0.00 C ATOM 407 CD LYS A 27 -11.473 0.542 -9.537 1.00 0.00 C ATOM 408 CE LYS A 27 -12.194 -0.445 -10.442 1.00 0.00 C ATOM 409 NZ LYS A 27 -13.655 -0.218 -10.474 1.00 0.00 N ATOM 0 H LYS A 27 -10.055 4.250 -10.983 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.249 4.620 -9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.864 2.737 -9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.263 2.659 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.678 2.244 -10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.187 2.106 -10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.414 0.285 -9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.861 0.448 -8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.795 -0.365 -11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.994 -1.460 -10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.119 -1.010 -10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.017 -0.151 -9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.858 0.668 -10.980 1.00 0.00 H new ATOM 423 N PRO A 28 -10.858 5.208 -6.885 1.00 0.00 N ATOM 424 CA PRO A 28 -10.092 5.814 -5.811 1.00 0.00 C ATOM 425 C PRO A 28 -8.801 5.036 -5.606 1.00 0.00 C ATOM 426 O PRO A 28 -8.808 3.803 -5.548 1.00 0.00 O ATOM 427 CB PRO A 28 -10.996 5.699 -4.585 1.00 0.00 C ATOM 428 CG PRO A 28 -12.349 5.420 -5.128 1.00 0.00 C ATOM 429 CD PRO A 28 -12.134 4.663 -6.402 1.00 0.00 C ATOM 0 HA PRO A 28 -9.813 6.848 -6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.664 4.899 -3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.987 6.619 -4.001 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.940 4.836 -4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.894 6.346 -5.311 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.077 3.588 -6.231 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.942 4.830 -7.114 1.00 0.00 H new ATOM 437 N ILE A 29 -7.714 5.748 -5.506 1.00 0.00 N ATOM 438 CA ILE A 29 -6.416 5.128 -5.426 1.00 0.00 C ATOM 439 C ILE A 29 -6.046 4.961 -3.971 1.00 0.00 C ATOM 440 O ILE A 29 -6.216 5.891 -3.166 1.00 0.00 O ATOM 441 CB ILE A 29 -5.273 5.951 -6.142 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.609 6.332 -7.592 1.00 0.00 C ATOM 443 CG2 ILE A 29 -3.984 5.146 -6.156 1.00 0.00 C ATOM 444 CD1 ILE A 29 -6.668 7.390 -7.759 1.00 0.00 C ATOM 0 H ILE A 29 -7.699 6.767 -5.478 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.493 4.172 -5.943 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.165 6.872 -5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.697 6.677 -8.079 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.932 5.434 -8.119 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.201 5.721 -6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.681 4.927 -5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.144 4.212 -6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.826 7.582 -8.820 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.600 7.046 -7.309 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.345 8.308 -7.268 1.00 0.00 H new ATOM 456 N TYR A 30 -5.525 3.819 -3.634 1.00 0.00 N ATOM 457 CA TYR A 30 -5.171 3.517 -2.305 1.00 0.00 C ATOM 458 C TYR A 30 -3.877 2.813 -2.355 1.00 0.00 C ATOM 459 O TYR A 30 -3.633 2.034 -3.271 1.00 0.00 O ATOM 460 CB TYR A 30 -6.219 2.616 -1.634 1.00 0.00 C ATOM 461 CG TYR A 30 -7.600 3.215 -1.526 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.873 4.210 -0.608 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.631 2.774 -2.338 1.00 0.00 C ATOM 464 CE1 TYR A 30 -9.134 4.756 -0.502 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.895 3.316 -2.238 1.00 0.00 C ATOM 466 CZ TYR A 30 -10.139 4.307 -1.317 1.00 0.00 C ATOM 467 OH TYR A 30 -11.399 4.855 -1.215 1.00 0.00 O ATOM 0 H TYR A 30 -5.336 3.067 -4.297 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.111 4.435 -1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.287 1.683 -2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.870 2.362 -0.633 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.084 4.567 0.038 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.442 1.994 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.329 5.535 0.221 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.689 2.964 -2.880 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.995 4.427 -1.864 1.00 0.00 H new ATOM 477 N VAL A 31 -3.050 3.090 -1.438 1.00 0.00 N ATOM 478 CA VAL A 31 -1.799 2.441 -1.361 1.00 0.00 C ATOM 479 C VAL A 31 -1.677 1.800 -0.018 1.00 0.00 C ATOM 480 O VAL A 31 -1.963 2.420 1.003 1.00 0.00 O ATOM 481 CB VAL A 31 -0.611 3.396 -1.658 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.601 4.594 -0.764 1.00 0.00 C ATOM 483 CG2 VAL A 31 0.684 2.666 -1.551 1.00 0.00 C ATOM 0 H VAL A 31 -3.216 3.781 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.752 1.676 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.742 3.756 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.250 5.228 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.525 5.157 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.521 4.272 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.506 3.350 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.794 2.267 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.700 1.847 -2.270 1.00 0.00 H new ATOM 493 N ALA A 32 -1.308 0.577 -0.002 1.00 0.00 N ATOM 494 CA ALA A 32 -1.207 -0.117 1.218 1.00 0.00 C ATOM 495 C ALA A 32 0.224 -0.362 1.556 1.00 0.00 C ATOM 496 O ALA A 32 1.054 -0.591 0.678 1.00 0.00 O ATOM 497 CB ALA A 32 -1.991 -1.399 1.167 1.00 0.00 C ATOM 0 H ALA A 32 -1.069 0.032 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.637 0.497 2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.899 -1.920 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.041 -1.176 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.602 -2.032 0.369 1.00 0.00 H new ATOM 503 N ILE A 33 0.528 -0.257 2.794 1.00 0.00 N ATOM 504 CA ILE A 33 1.841 -0.509 3.265 1.00 0.00 C ATOM 505 C ILE A 33 1.752 -1.269 4.557 1.00 0.00 C ATOM 506 O ILE A 33 1.223 -0.754 5.525 1.00 0.00 O ATOM 507 CB ILE A 33 2.614 0.816 3.516 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.795 1.615 2.223 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.948 0.549 4.172 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.558 2.898 2.413 1.00 0.00 C ATOM 0 H ILE A 33 -0.135 0.010 3.521 1.00 0.00 H new ATOM 0 HA ILE A 33 2.376 -1.084 2.509 1.00 0.00 H new ATOM 0 HB ILE A 33 2.014 1.420 4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.316 0.996 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.814 1.843 1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.468 1.493 4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.790 0.051 5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.550 -0.089 3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.649 3.412 1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.027 3.536 3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.552 2.676 2.801 1.00 0.00 H new ATOM 522 N LYS A 34 2.201 -2.520 4.547 1.00 0.00 N ATOM 523 CA LYS A 34 2.308 -3.346 5.764 1.00 0.00 C ATOM 524 C LYS A 34 0.875 -3.625 6.297 1.00 0.00 C ATOM 525 O LYS A 34 0.657 -3.897 7.470 1.00 0.00 O ATOM 526 CB LYS A 34 3.202 -2.571 6.802 1.00 0.00 C ATOM 527 CG LYS A 34 4.050 -3.403 7.791 1.00 0.00 C ATOM 528 CD LYS A 34 3.252 -4.206 8.801 1.00 0.00 C ATOM 529 CE LYS A 34 4.183 -4.982 9.719 1.00 0.00 C ATOM 530 NZ LYS A 34 3.453 -5.755 10.738 1.00 0.00 N ATOM 0 H LYS A 34 2.503 -2.998 3.698 1.00 0.00 H new ATOM 0 HA LYS A 34 2.779 -4.309 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.879 -1.925 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.550 -1.921 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.679 -4.087 7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.717 -2.730 8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.624 -3.538 9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.586 -4.895 8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.795 -5.659 9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.864 -4.288 10.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.131 -6.266 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.889 -5.109 11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.822 -6.437 10.270 1.00 0.00 H new ATOM 544 N GLY A 35 -0.092 -3.576 5.393 1.00 0.00 N ATOM 545 CA GLY A 35 -1.466 -3.829 5.758 1.00 0.00 C ATOM 546 C GLY A 35 -2.226 -2.563 6.080 1.00 0.00 C ATOM 547 O GLY A 35 -3.413 -2.611 6.403 1.00 0.00 O ATOM 0 H GLY A 35 0.055 -3.364 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.965 -4.350 4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.492 -4.493 6.622 1.00 0.00 H new ATOM 551 N ARG A 36 -1.551 -1.449 5.994 1.00 0.00 N ATOM 552 CA ARG A 36 -2.115 -0.152 6.310 1.00 0.00 C ATOM 553 C ARG A 36 -2.487 0.516 4.993 1.00 0.00 C ATOM 554 O ARG A 36 -1.613 0.807 4.192 1.00 0.00 O ATOM 555 CB ARG A 36 -1.020 0.665 7.021 1.00 0.00 C ATOM 556 CG ARG A 36 -0.373 -0.102 8.174 1.00 0.00 C ATOM 557 CD ARG A 36 0.955 0.504 8.623 1.00 0.00 C ATOM 558 NE ARG A 36 0.839 1.795 9.301 1.00 0.00 N ATOM 559 CZ ARG A 36 1.839 2.318 10.039 1.00 0.00 C ATOM 560 NH1 ARG A 36 3.073 1.807 9.963 1.00 0.00 N ATOM 561 NH2 ARG A 36 1.624 3.373 10.800 1.00 0.00 N ATOM 0 H ARG A 36 -0.576 -1.410 5.698 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.995 -0.228 6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.253 0.944 6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.451 1.591 7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.060 -0.124 9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.210 -1.136 7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.452 -0.199 9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.598 0.623 7.751 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.031 2.319 9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.261 1.018 9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.826 2.206 10.523 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.697 3.798 10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.384 3.764 11.356 1.00 0.00 H new ATOM 575 N VAL A 37 -3.763 0.708 4.747 1.00 0.00 N ATOM 576 CA VAL A 37 -4.203 1.317 3.497 1.00 0.00 C ATOM 577 C VAL A 37 -4.335 2.811 3.642 1.00 0.00 C ATOM 578 O VAL A 37 -5.134 3.298 4.425 1.00 0.00 O ATOM 579 CB VAL A 37 -5.541 0.717 2.980 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.012 1.441 1.731 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.361 -0.740 2.662 1.00 0.00 C ATOM 0 H VAL A 37 -4.516 0.456 5.387 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.434 1.093 2.758 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.289 0.837 3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.950 1.003 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.166 2.496 1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.259 1.344 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.303 -1.153 2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.597 -0.853 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.053 -1.273 3.561 1.00 0.00 H new ATOM 591 N PHE A 38 -3.554 3.517 2.893 1.00 0.00 N ATOM 592 CA PHE A 38 -3.560 4.951 2.892 1.00 0.00 C ATOM 593 C PHE A 38 -4.258 5.441 1.632 1.00 0.00 C ATOM 594 O PHE A 38 -4.127 4.824 0.565 1.00 0.00 O ATOM 595 CB PHE A 38 -2.131 5.474 2.876 1.00 0.00 C ATOM 596 CG PHE A 38 -1.265 5.082 4.051 1.00 0.00 C ATOM 597 CD1 PHE A 38 -0.587 3.873 4.064 1.00 0.00 C ATOM 598 CD2 PHE A 38 -1.112 5.932 5.125 1.00 0.00 C ATOM 599 CE1 PHE A 38 0.217 3.526 5.125 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.311 5.585 6.189 1.00 0.00 C ATOM 601 CZ PHE A 38 0.354 4.382 6.189 1.00 0.00 C ATOM 0 H PHE A 38 -2.877 3.108 2.249 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.076 5.307 3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.648 5.125 1.963 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.165 6.562 2.823 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.691 3.195 3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.627 6.881 5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.740 2.581 5.121 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.205 6.259 7.026 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.983 4.111 7.024 1.00 0.00 H new ATOM 611 N ASP A 39 -4.992 6.517 1.741 1.00 0.00 N ATOM 612 CA ASP A 39 -5.649 7.093 0.570 1.00 0.00 C ATOM 613 C ASP A 39 -4.696 8.045 -0.116 1.00 0.00 C ATOM 614 O ASP A 39 -4.057 8.867 0.540 1.00 0.00 O ATOM 615 CB ASP A 39 -6.927 7.848 0.954 1.00 0.00 C ATOM 616 CG ASP A 39 -7.669 8.410 -0.258 1.00 0.00 C ATOM 617 OD1 ASP A 39 -7.207 9.413 -0.851 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.731 7.867 -0.618 1.00 0.00 O ATOM 0 H ASP A 39 -5.156 7.017 2.615 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.925 6.278 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.589 7.177 1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.672 8.665 1.629 1.00 0.00 H new ATOM 623 N VAL A 40 -4.592 7.930 -1.417 1.00 0.00 N ATOM 624 CA VAL A 40 -3.719 8.789 -2.193 1.00 0.00 C ATOM 625 C VAL A 40 -4.449 9.458 -3.337 1.00 0.00 C ATOM 626 O VAL A 40 -3.845 9.787 -4.355 1.00 0.00 O ATOM 627 CB VAL A 40 -2.465 8.049 -2.735 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.482 7.786 -1.633 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.847 6.744 -3.386 1.00 0.00 C ATOM 0 H VAL A 40 -5.105 7.243 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.380 9.555 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.001 8.695 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.613 7.267 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.168 8.732 -1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.950 7.167 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.951 6.246 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.342 6.104 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.525 6.937 -4.217 1.00 0.00 H new ATOM 639 N THR A 41 -5.737 9.719 -3.162 1.00 0.00 N ATOM 640 CA THR A 41 -6.483 10.425 -4.194 1.00 0.00 C ATOM 641 C THR A 41 -6.018 11.882 -4.274 1.00 0.00 C ATOM 642 O THR A 41 -6.140 12.538 -5.308 1.00 0.00 O ATOM 643 CB THR A 41 -8.014 10.337 -3.999 1.00 0.00 C ATOM 644 OG1 THR A 41 -8.388 10.780 -2.685 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.502 8.915 -4.226 1.00 0.00 C ATOM 0 H THR A 41 -6.277 9.460 -2.336 1.00 0.00 H new ATOM 0 HA THR A 41 -6.272 9.929 -5.141 1.00 0.00 H new ATOM 0 HB THR A 41 -8.484 10.991 -4.733 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.167 10.085 -2.030 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.582 8.874 -4.084 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.257 8.604 -5.242 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.017 8.246 -3.515 1.00 0.00 H new ATOM 653 N THR A 42 -5.444 12.349 -3.183 1.00 0.00 N ATOM 654 CA THR A 42 -4.866 13.663 -3.085 1.00 0.00 C ATOM 655 C THR A 42 -3.585 13.753 -3.933 1.00 0.00 C ATOM 656 O THR A 42 -3.157 14.846 -4.350 1.00 0.00 O ATOM 657 CB THR A 42 -4.551 13.956 -1.615 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.858 12.820 -1.061 1.00 0.00 O ATOM 659 CG2 THR A 42 -5.831 14.209 -0.829 1.00 0.00 C ATOM 0 H THR A 42 -5.368 11.807 -2.322 1.00 0.00 H new ATOM 0 HA THR A 42 -5.574 14.401 -3.464 1.00 0.00 H new ATOM 0 HB THR A 42 -3.930 14.849 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.647 12.993 -0.120 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.584 14.415 0.212 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.356 15.065 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.471 13.328 -0.883 1.00 0.00 H new ATOM 667 N GLY A 43 -2.990 12.604 -4.187 1.00 0.00 N ATOM 668 CA GLY A 43 -1.798 12.526 -4.984 1.00 0.00 C ATOM 669 C GLY A 43 -2.015 11.633 -6.176 1.00 0.00 C ATOM 670 O GLY A 43 -1.125 10.904 -6.586 1.00 0.00 O ATOM 0 H GLY A 43 -3.325 11.704 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.511 13.523 -5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.975 12.143 -4.381 1.00 0.00 H new ATOM 674 N LYS A 44 -3.207 11.701 -6.741 1.00 0.00 N ATOM 675 CA LYS A 44 -3.585 10.863 -7.854 1.00 0.00 C ATOM 676 C LYS A 44 -2.660 11.024 -9.042 1.00 0.00 C ATOM 677 O LYS A 44 -2.307 10.038 -9.691 1.00 0.00 O ATOM 678 CB LYS A 44 -4.980 11.146 -8.285 1.00 0.00 C ATOM 679 CG LYS A 44 -5.375 10.222 -9.380 1.00 0.00 C ATOM 680 CD LYS A 44 -6.752 10.414 -9.770 1.00 0.00 C ATOM 681 CE LYS A 44 -7.105 9.476 -10.880 1.00 0.00 C ATOM 682 NZ LYS A 44 -6.453 9.831 -12.159 1.00 0.00 N ATOM 0 H LYS A 44 -3.939 12.343 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.509 9.835 -7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.660 11.033 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.062 12.179 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.727 10.381 -10.242 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.229 9.191 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.408 10.243 -8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.908 11.444 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.817 8.463 -10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.186 9.473 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.759 9.169 -12.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.720 10.799 -12.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.420 9.775 -12.050 1.00 0.00 H new ATOM 696 N SER A 45 -2.263 12.243 -9.319 1.00 0.00 N ATOM 697 CA SER A 45 -1.376 12.527 -10.436 1.00 0.00 C ATOM 698 C SER A 45 -0.015 11.829 -10.256 1.00 0.00 C ATOM 699 O SER A 45 0.677 11.520 -11.229 1.00 0.00 O ATOM 700 CB SER A 45 -1.202 14.033 -10.567 1.00 0.00 C ATOM 701 OG SER A 45 -2.471 14.663 -10.713 1.00 0.00 O ATOM 0 H SER A 45 -2.540 13.066 -8.784 1.00 0.00 H new ATOM 0 HA SER A 45 -1.821 12.136 -11.351 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.692 14.426 -9.687 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.573 14.260 -11.428 1.00 0.00 H new ATOM 0 HG SER A 45 -2.348 15.632 -10.795 1.00 0.00 H new ATOM 707 N PHE A 46 0.330 11.551 -9.014 1.00 0.00 N ATOM 708 CA PHE A 46 1.575 10.898 -8.689 1.00 0.00 C ATOM 709 C PHE A 46 1.389 9.377 -8.652 1.00 0.00 C ATOM 710 O PHE A 46 2.265 8.622 -9.086 1.00 0.00 O ATOM 711 CB PHE A 46 2.088 11.384 -7.322 1.00 0.00 C ATOM 712 CG PHE A 46 2.365 12.859 -7.234 1.00 0.00 C ATOM 713 CD1 PHE A 46 3.616 13.361 -7.549 1.00 0.00 C ATOM 714 CD2 PHE A 46 1.377 13.743 -6.825 1.00 0.00 C ATOM 715 CE1 PHE A 46 3.879 14.715 -7.457 1.00 0.00 C ATOM 716 CE2 PHE A 46 1.633 15.097 -6.734 1.00 0.00 C ATOM 717 CZ PHE A 46 2.887 15.583 -7.049 1.00 0.00 C ATOM 0 H PHE A 46 -0.248 11.773 -8.204 1.00 0.00 H new ATOM 0 HA PHE A 46 2.304 11.149 -9.459 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.353 11.122 -6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.003 10.843 -7.081 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.396 12.687 -7.871 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.396 13.368 -6.575 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.860 15.093 -7.704 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.854 15.775 -6.417 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.091 16.641 -6.976 1.00 0.00 H new ATOM 727 N TYR A 47 0.246 8.935 -8.140 1.00 0.00 N ATOM 728 CA TYR A 47 -0.010 7.518 -7.968 1.00 0.00 C ATOM 729 C TYR A 47 -0.816 6.861 -9.095 1.00 0.00 C ATOM 730 O TYR A 47 -0.270 6.049 -9.827 1.00 0.00 O ATOM 731 CB TYR A 47 -0.629 7.232 -6.591 1.00 0.00 C ATOM 732 CG TYR A 47 0.300 7.575 -5.447 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.470 8.886 -5.049 1.00 0.00 C ATOM 734 CD2 TYR A 47 1.025 6.593 -4.788 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.320 9.221 -4.037 1.00 0.00 C ATOM 736 CE2 TYR A 47 1.891 6.923 -3.761 1.00 0.00 C ATOM 737 CZ TYR A 47 2.030 8.246 -3.395 1.00 0.00 C ATOM 738 OH TYR A 47 2.889 8.599 -2.386 1.00 0.00 O ATOM 0 H TYR A 47 -0.516 9.542 -7.838 1.00 0.00 H new ATOM 0 HA TYR A 47 0.971 7.045 -8.024 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.552 7.803 -6.487 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.898 6.177 -6.531 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.084 9.665 -5.552 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.912 5.559 -5.080 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.432 10.254 -3.744 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.452 6.154 -3.251 1.00 0.00 H new ATOM 0 HH TYR A 47 3.052 7.824 -1.809 1.00 0.00 H new ATOM 748 N GLY A 48 -2.095 7.223 -9.265 1.00 0.00 N ATOM 749 CA GLY A 48 -2.931 6.475 -10.198 1.00 0.00 C ATOM 750 C GLY A 48 -3.346 7.261 -11.406 1.00 0.00 C ATOM 751 O GLY A 48 -4.540 7.454 -11.650 1.00 0.00 O ATOM 0 H GLY A 48 -2.554 7.998 -8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.390 5.586 -10.523 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.824 6.132 -9.676 1.00 0.00 H new ATOM 755 N SER A 49 -2.375 7.729 -12.141 1.00 0.00 N ATOM 756 CA SER A 49 -2.615 8.479 -13.373 1.00 0.00 C ATOM 757 C SER A 49 -1.449 8.248 -14.323 1.00 0.00 C ATOM 758 O SER A 49 -1.238 9.009 -15.273 1.00 0.00 O ATOM 759 CB SER A 49 -2.706 9.973 -13.056 1.00 0.00 C ATOM 760 OG SER A 49 -3.700 10.231 -12.080 1.00 0.00 O ATOM 0 H SER A 49 -1.388 7.608 -11.914 1.00 0.00 H new ATOM 0 HA SER A 49 -3.547 8.145 -13.828 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.740 10.331 -12.699 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.934 10.527 -13.966 1.00 0.00 H new ATOM 0 HG SER A 49 -3.316 10.121 -11.185 1.00 0.00 H new ATOM 766 N GLY A 50 -0.729 7.170 -14.085 1.00 0.00 N ATOM 767 CA GLY A 50 0.480 6.913 -14.813 1.00 0.00 C ATOM 768 C GLY A 50 1.606 7.705 -14.205 1.00 0.00 C ATOM 769 O GLY A 50 2.394 8.345 -14.901 1.00 0.00 O ATOM 0 H GLY A 50 -0.967 6.462 -13.391 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.714 5.849 -14.788 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.352 7.186 -15.860 1.00 0.00 H new ATOM 773 N GLY A 51 1.666 7.681 -12.895 1.00 0.00 N ATOM 774 CA GLY A 51 2.651 8.458 -12.181 1.00 0.00 C ATOM 775 C GLY A 51 3.869 7.677 -11.881 1.00 0.00 C ATOM 776 O GLY A 51 3.957 6.490 -12.215 1.00 0.00 O ATOM 0 H GLY A 51 1.044 7.132 -12.302 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.919 9.333 -12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.218 8.824 -11.250 1.00 0.00 H new ATOM 780 N ASP A 52 4.807 8.311 -11.239 1.00 0.00 N ATOM 781 CA ASP A 52 6.069 7.683 -10.941 1.00 0.00 C ATOM 782 C ASP A 52 5.952 6.755 -9.740 1.00 0.00 C ATOM 783 O ASP A 52 6.835 5.941 -9.491 1.00 0.00 O ATOM 784 CB ASP A 52 7.191 8.707 -10.765 1.00 0.00 C ATOM 785 CG ASP A 52 7.117 9.518 -9.490 1.00 0.00 C ATOM 786 OD1 ASP A 52 6.293 10.445 -9.405 1.00 0.00 O ATOM 787 OD2 ASP A 52 7.911 9.246 -8.562 1.00 0.00 O ATOM 0 H ASP A 52 4.724 9.272 -10.907 1.00 0.00 H new ATOM 0 HA ASP A 52 6.339 7.071 -11.801 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.147 8.185 -10.792 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.177 9.390 -11.614 1.00 0.00 H new ATOM 792 N TYR A 53 4.859 6.886 -9.002 1.00 0.00 N ATOM 793 CA TYR A 53 4.559 6.013 -7.862 1.00 0.00 C ATOM 794 C TYR A 53 3.486 5.007 -8.272 1.00 0.00 C ATOM 795 O TYR A 53 2.734 4.500 -7.434 1.00 0.00 O ATOM 796 CB TYR A 53 4.027 6.829 -6.684 1.00 0.00 C ATOM 797 CG TYR A 53 4.970 7.864 -6.138 1.00 0.00 C ATOM 798 CD1 TYR A 53 5.885 7.551 -5.141 1.00 0.00 C ATOM 799 CD2 TYR A 53 4.932 9.156 -6.604 1.00 0.00 C ATOM 800 CE1 TYR A 53 6.738 8.513 -4.633 1.00 0.00 C ATOM 801 CE2 TYR A 53 5.769 10.121 -6.109 1.00 0.00 C ATOM 802 CZ TYR A 53 6.672 9.800 -5.122 1.00 0.00 C ATOM 803 OH TYR A 53 7.514 10.777 -4.624 1.00 0.00 O ATOM 0 H TYR A 53 4.150 7.600 -9.172 1.00 0.00 H new ATOM 0 HA TYR A 53 5.476 5.504 -7.564 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.108 7.327 -6.994 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.762 6.143 -5.879 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.931 6.542 -4.757 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.226 9.417 -7.378 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.449 8.259 -3.861 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.720 11.130 -6.492 1.00 0.00 H new ATOM 0 HH TYR A 53 7.336 11.626 -5.080 1.00 0.00 H new ATOM 813 N SER A 54 3.452 4.685 -9.555 1.00 0.00 N ATOM 814 CA SER A 54 2.434 3.803 -10.125 1.00 0.00 C ATOM 815 C SER A 54 2.455 2.400 -9.487 1.00 0.00 C ATOM 816 O SER A 54 1.435 1.722 -9.454 1.00 0.00 O ATOM 817 CB SER A 54 2.634 3.692 -11.641 1.00 0.00 C ATOM 818 OG SER A 54 1.584 2.976 -12.274 1.00 0.00 O ATOM 0 H SER A 54 4.130 5.027 -10.237 1.00 0.00 H new ATOM 0 HA SER A 54 1.460 4.243 -9.910 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.699 4.692 -12.070 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.583 3.196 -11.844 1.00 0.00 H new ATOM 0 HG SER A 54 1.753 2.932 -13.238 1.00 0.00 H new ATOM 824 N MET A 55 3.601 1.985 -8.953 1.00 0.00 N ATOM 825 CA MET A 55 3.719 0.639 -8.380 1.00 0.00 C ATOM 826 C MET A 55 3.046 0.568 -7.026 1.00 0.00 C ATOM 827 O MET A 55 2.744 -0.512 -6.523 1.00 0.00 O ATOM 828 CB MET A 55 5.179 0.222 -8.243 1.00 0.00 C ATOM 829 CG MET A 55 5.971 0.286 -9.531 1.00 0.00 C ATOM 830 SD MET A 55 5.204 -0.643 -10.868 1.00 0.00 S ATOM 831 CE MET A 55 6.403 -0.374 -12.164 1.00 0.00 C ATOM 0 H MET A 55 4.450 2.548 -8.903 1.00 0.00 H new ATOM 0 HA MET A 55 3.221 -0.048 -9.064 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.659 0.862 -7.503 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.219 -0.796 -7.857 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.080 1.327 -9.834 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.975 -0.101 -9.355 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.080 -0.885 -13.071 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.491 0.694 -12.362 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.371 -0.766 -11.852 1.00 0.00 H new ATOM 841 N PHE A 56 2.817 1.726 -6.454 1.00 0.00 N ATOM 842 CA PHE A 56 2.208 1.865 -5.148 1.00 0.00 C ATOM 843 C PHE A 56 0.692 1.904 -5.286 1.00 0.00 C ATOM 844 O PHE A 56 -0.038 1.367 -4.459 1.00 0.00 O ATOM 845 CB PHE A 56 2.682 3.175 -4.495 1.00 0.00 C ATOM 846 CG PHE A 56 4.157 3.266 -4.162 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.136 3.005 -5.112 1.00 0.00 C ATOM 848 CD2 PHE A 56 4.557 3.620 -2.892 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.470 3.097 -4.794 1.00 0.00 C ATOM 850 CE2 PHE A 56 5.892 3.717 -2.573 1.00 0.00 C ATOM 851 CZ PHE A 56 6.850 3.453 -3.526 1.00 0.00 C ATOM 0 H PHE A 56 3.053 2.617 -6.890 1.00 0.00 H new ATOM 0 HA PHE A 56 2.498 1.015 -4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.431 4.000 -5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.114 3.324 -3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.845 2.726 -6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.813 3.824 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.219 2.889 -5.544 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.189 4.001 -1.574 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.898 3.526 -3.275 1.00 0.00 H new ATOM 861 N ALA A 57 0.247 2.565 -6.336 1.00 0.00 N ATOM 862 CA ALA A 57 -1.168 2.733 -6.646 1.00 0.00 C ATOM 863 C ALA A 57 -1.910 1.397 -6.724 1.00 0.00 C ATOM 864 O ALA A 57 -1.670 0.591 -7.632 1.00 0.00 O ATOM 865 CB ALA A 57 -1.318 3.481 -7.955 1.00 0.00 C ATOM 0 H ALA A 57 0.866 3.010 -7.013 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.615 3.305 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.376 3.605 -8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.848 4.461 -7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.838 2.916 -8.754 1.00 0.00 H new ATOM 871 N GLY A 58 -2.785 1.168 -5.762 1.00 0.00 N ATOM 872 CA GLY A 58 -3.595 -0.026 -5.742 1.00 0.00 C ATOM 873 C GLY A 58 -2.795 -1.250 -5.398 1.00 0.00 C ATOM 874 O GLY A 58 -3.066 -2.332 -5.885 1.00 0.00 O ATOM 0 H GLY A 58 -2.950 1.802 -4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.400 0.095 -5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.062 -0.162 -6.717 1.00 0.00 H new ATOM 878 N LYS A 59 -1.793 -1.085 -4.593 1.00 0.00 N ATOM 879 CA LYS A 59 -0.981 -2.148 -4.230 1.00 0.00 C ATOM 880 C LYS A 59 -0.495 -1.956 -2.804 1.00 0.00 C ATOM 881 O LYS A 59 -0.374 -0.824 -2.334 1.00 0.00 O ATOM 882 CB LYS A 59 0.233 -2.162 -5.151 1.00 0.00 C ATOM 883 CG LYS A 59 1.119 -3.322 -4.911 1.00 0.00 C ATOM 884 CD LYS A 59 0.504 -4.578 -5.407 1.00 0.00 C ATOM 885 CE LYS A 59 0.993 -5.737 -4.635 1.00 0.00 C ATOM 886 NZ LYS A 59 0.498 -7.011 -5.190 1.00 0.00 N ATOM 0 H LYS A 59 -1.533 -0.190 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.541 -3.080 -4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.103 -2.175 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.800 -1.242 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.076 -3.161 -5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.325 -3.411 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.581 -4.514 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.739 -4.712 -6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.083 -5.740 -4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.673 -5.644 -3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.862 -7.802 -4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.542 -7.019 -5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.824 -7.112 -6.172 1.00 0.00 H new ATOM 900 N ASP A 60 -0.278 -3.044 -2.102 1.00 0.00 N ATOM 901 CA ASP A 60 0.475 -2.975 -0.875 1.00 0.00 C ATOM 902 C ASP A 60 1.923 -3.090 -1.300 1.00 0.00 C ATOM 903 O ASP A 60 2.324 -4.105 -1.885 1.00 0.00 O ATOM 904 CB ASP A 60 0.120 -4.094 0.108 1.00 0.00 C ATOM 905 CG ASP A 60 0.857 -3.951 1.455 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.071 -4.134 1.487 1.00 0.00 O ATOM 907 OD2 ASP A 60 0.206 -3.694 2.496 1.00 0.00 O ATOM 0 H ASP A 60 -0.608 -3.975 -2.356 1.00 0.00 H new ATOM 0 HA ASP A 60 0.256 -2.049 -0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.956 -4.091 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.368 -5.057 -0.338 1.00 0.00 H new ATOM 912 N ALA A 61 2.681 -2.069 -1.063 1.00 0.00 N ATOM 913 CA ALA A 61 4.034 -1.996 -1.572 1.00 0.00 C ATOM 914 C ALA A 61 5.079 -2.250 -0.502 1.00 0.00 C ATOM 915 O ALA A 61 6.237 -1.931 -0.703 1.00 0.00 O ATOM 916 CB ALA A 61 4.254 -0.627 -2.208 1.00 0.00 C ATOM 0 H ALA A 61 2.392 -1.259 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 61 4.152 -2.785 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.271 -0.564 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.547 -0.488 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.101 0.151 -1.460 1.00 0.00 H new ATOM 922 N SER A 62 4.694 -2.903 0.573 1.00 0.00 N ATOM 923 CA SER A 62 5.570 -3.089 1.731 1.00 0.00 C ATOM 924 C SER A 62 6.941 -3.719 1.395 1.00 0.00 C ATOM 925 O SER A 62 7.987 -3.117 1.689 1.00 0.00 O ATOM 926 CB SER A 62 4.847 -3.896 2.765 1.00 0.00 C ATOM 927 OG SER A 62 4.329 -5.078 2.197 1.00 0.00 O ATOM 0 H SER A 62 3.770 -3.322 0.678 1.00 0.00 H new ATOM 0 HA SER A 62 5.805 -2.097 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.526 -4.145 3.580 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.037 -3.306 3.194 1.00 0.00 H new ATOM 0 HG SER A 62 3.355 -5.003 2.118 1.00 0.00 H new ATOM 933 N ARG A 63 6.939 -4.905 0.803 1.00 0.00 N ATOM 934 CA ARG A 63 8.170 -5.551 0.367 1.00 0.00 C ATOM 935 C ARG A 63 8.997 -4.638 -0.550 1.00 0.00 C ATOM 936 O ARG A 63 10.192 -4.503 -0.364 1.00 0.00 O ATOM 937 CB ARG A 63 7.852 -6.882 -0.332 1.00 0.00 C ATOM 938 CG ARG A 63 9.048 -7.572 -0.976 1.00 0.00 C ATOM 939 CD ARG A 63 8.642 -8.896 -1.599 1.00 0.00 C ATOM 940 NE ARG A 63 9.699 -9.465 -2.450 1.00 0.00 N ATOM 941 CZ ARG A 63 9.753 -10.739 -2.865 1.00 0.00 C ATOM 942 NH1 ARG A 63 8.895 -11.640 -2.392 1.00 0.00 N ATOM 943 NH2 ARG A 63 10.688 -11.111 -3.734 1.00 0.00 N ATOM 0 H ARG A 63 6.093 -5.443 0.613 1.00 0.00 H new ATOM 0 HA ARG A 63 8.773 -5.753 1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.409 -7.561 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.099 -6.702 -1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.479 -6.924 -1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.822 -7.741 -0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.395 -9.605 -0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.739 -8.753 -2.193 1.00 0.00 H new ATOM 0 HE ARG A 63 10.449 -8.842 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.190 -11.363 -1.709 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.943 -12.607 -2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.361 -10.428 -4.083 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.732 -12.079 -4.052 1.00 0.00 H new ATOM 957 N ALA A 64 8.328 -3.923 -1.440 1.00 0.00 N ATOM 958 CA ALA A 64 9.001 -3.138 -2.468 1.00 0.00 C ATOM 959 C ALA A 64 9.647 -1.950 -1.847 1.00 0.00 C ATOM 960 O ALA A 64 10.692 -1.498 -2.279 1.00 0.00 O ATOM 961 CB ALA A 64 8.026 -2.701 -3.528 1.00 0.00 C ATOM 0 H ALA A 64 7.310 -3.869 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 64 9.763 -3.759 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.549 -2.117 -4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.577 -3.578 -3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.245 -2.091 -3.075 1.00 0.00 H new ATOM 967 N LEU A 65 9.007 -1.446 -0.839 1.00 0.00 N ATOM 968 CA LEU A 65 9.505 -0.357 -0.061 1.00 0.00 C ATOM 969 C LEU A 65 10.800 -0.744 0.614 1.00 0.00 C ATOM 970 O LEU A 65 11.789 -0.010 0.562 1.00 0.00 O ATOM 971 CB LEU A 65 8.500 -0.012 1.001 1.00 0.00 C ATOM 972 CG LEU A 65 7.166 0.547 0.580 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.357 0.874 1.798 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.331 1.760 -0.266 1.00 0.00 C ATOM 0 H LEU A 65 8.099 -1.790 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 65 9.678 0.495 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.312 -0.914 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.964 0.710 1.673 1.00 0.00 H new ATOM 0 HG LEU A 65 6.648 -0.205 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.391 1.279 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.203 -0.031 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.887 1.612 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.350 2.139 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.866 2.526 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.898 1.505 -1.161 1.00 0.00 H new ATOM 986 N GLY A 66 10.788 -1.914 1.229 1.00 0.00 N ATOM 987 CA GLY A 66 11.933 -2.387 1.950 1.00 0.00 C ATOM 988 C GLY A 66 13.068 -2.782 1.046 1.00 0.00 C ATOM 989 O GLY A 66 14.227 -2.680 1.426 1.00 0.00 O ATOM 0 H GLY A 66 9.989 -2.548 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.273 -1.609 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.645 -3.244 2.559 1.00 0.00 H new ATOM 993 N LYS A 67 12.749 -3.238 -0.146 1.00 0.00 N ATOM 994 CA LYS A 67 13.785 -3.637 -1.085 1.00 0.00 C ATOM 995 C LYS A 67 14.268 -2.420 -1.870 1.00 0.00 C ATOM 996 O LYS A 67 15.397 -2.398 -2.360 1.00 0.00 O ATOM 997 CB LYS A 67 13.270 -4.672 -2.081 1.00 0.00 C ATOM 998 CG LYS A 67 12.495 -5.863 -1.505 1.00 0.00 C ATOM 999 CD LYS A 67 13.232 -6.685 -0.459 1.00 0.00 C ATOM 1000 CE LYS A 67 14.583 -7.112 -0.915 1.00 0.00 C ATOM 1001 NZ LYS A 67 15.146 -8.177 -0.067 1.00 0.00 N ATOM 0 H LYS A 67 11.794 -3.342 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 67 14.599 -4.074 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.626 -4.162 -2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.122 -5.060 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.570 -5.492 -1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.214 -6.522 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.329 -6.100 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.640 -7.567 -0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.523 -7.464 -1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.254 -6.253 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.994 -8.571 -0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.403 -7.783 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.440 -8.930 0.060 1.00 0.00 H new ATOM 1015 N MET A 68 13.368 -1.427 -1.995 1.00 0.00 N ATOM 1016 CA MET A 68 13.584 -0.153 -2.723 1.00 0.00 C ATOM 1017 C MET A 68 13.423 -0.407 -4.202 1.00 0.00 C ATOM 1018 O MET A 68 13.945 0.310 -5.050 1.00 0.00 O ATOM 1019 CB MET A 68 14.946 0.497 -2.395 1.00 0.00 C ATOM 1020 CG MET A 68 15.135 0.830 -0.929 1.00 0.00 C ATOM 1021 SD MET A 68 16.737 1.592 -0.568 1.00 0.00 S ATOM 1022 CE MET A 68 17.857 0.281 -1.081 1.00 0.00 C ATOM 0 H MET A 68 12.438 -1.487 -1.580 1.00 0.00 H new ATOM 0 HA MET A 68 12.836 0.568 -2.394 1.00 0.00 H new ATOM 0 HB2 MET A 68 15.743 -0.177 -2.709 1.00 0.00 H new ATOM 0 HB3 MET A 68 15.051 1.410 -2.981 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.340 1.505 -0.611 1.00 0.00 H new ATOM 0 HG3 MET A 68 15.033 -0.082 -0.340 1.00 0.00 H new ATOM 0 HE1 MET A 68 18.691 0.221 -0.382 1.00 0.00 H new ATOM 0 HE2 MET A 68 17.324 -0.670 -1.092 1.00 0.00 H new ATOM 0 HE3 MET A 68 18.235 0.496 -2.080 1.00 0.00 H new ATOM 1032 N SER A 69 12.627 -1.398 -4.485 1.00 0.00 N ATOM 1033 CA SER A 69 12.374 -1.862 -5.808 1.00 0.00 C ATOM 1034 C SER A 69 11.005 -1.423 -6.279 1.00 0.00 C ATOM 1035 O SER A 69 10.105 -1.148 -5.482 1.00 0.00 O ATOM 1036 CB SER A 69 12.501 -3.372 -5.807 1.00 0.00 C ATOM 1037 OG SER A 69 13.792 -3.762 -5.348 1.00 0.00 O ATOM 0 H SER A 69 12.120 -1.920 -3.770 1.00 0.00 H new ATOM 0 HA SER A 69 13.097 -1.434 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.734 -3.807 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.334 -3.758 -6.813 1.00 0.00 H new ATOM 0 HG SER A 69 13.859 -4.740 -5.351 1.00 0.00 H new ATOM 1043 N LYS A 70 10.885 -1.323 -7.565 1.00 0.00 N ATOM 1044 CA LYS A 70 9.684 -0.874 -8.219 1.00 0.00 C ATOM 1045 C LYS A 70 9.096 -1.990 -9.054 1.00 0.00 C ATOM 1046 O LYS A 70 7.941 -1.958 -9.414 1.00 0.00 O ATOM 1047 CB LYS A 70 10.066 0.286 -9.087 1.00 0.00 C ATOM 1048 CG LYS A 70 10.580 1.461 -8.293 1.00 0.00 C ATOM 1049 CD LYS A 70 11.451 2.336 -9.142 1.00 0.00 C ATOM 1050 CE LYS A 70 11.845 3.627 -8.442 1.00 0.00 C ATOM 1051 NZ LYS A 70 12.575 3.371 -7.185 1.00 0.00 N ATOM 0 H LYS A 70 11.638 -1.557 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 70 8.930 -0.577 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.831 -0.032 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.200 0.598 -9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.741 2.040 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.144 1.105 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.352 1.787 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.927 2.575 -10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.467 4.226 -9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.950 4.212 -8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.914 4.272 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.940 2.911 -6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.387 2.749 -7.375 1.00 0.00 H new ATOM 1065 N ASN A 71 9.912 -2.973 -9.353 1.00 0.00 N ATOM 1066 CA ASN A 71 9.485 -4.134 -10.106 1.00 0.00 C ATOM 1067 C ASN A 71 8.287 -4.820 -9.433 1.00 0.00 C ATOM 1068 O ASN A 71 8.360 -5.262 -8.284 1.00 0.00 O ATOM 1069 CB ASN A 71 10.680 -5.079 -10.370 1.00 0.00 C ATOM 1070 CG ASN A 71 11.484 -5.415 -9.119 1.00 0.00 C ATOM 1071 OD1 ASN A 71 12.375 -4.668 -8.734 1.00 0.00 O ATOM 1072 ND2 ASN A 71 11.239 -6.536 -8.523 1.00 0.00 N ATOM 0 H ASN A 71 10.895 -2.992 -9.081 1.00 0.00 H new ATOM 0 HA ASN A 71 9.127 -3.815 -11.085 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.310 -6.004 -10.812 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.342 -4.618 -11.103 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.793 -6.815 -7.713 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.491 -7.141 -8.862 1.00 0.00 H new ATOM 1079 N GLU A 72 7.198 -4.904 -10.191 1.00 0.00 N ATOM 1080 CA GLU A 72 5.872 -5.358 -9.731 1.00 0.00 C ATOM 1081 C GLU A 72 5.890 -6.744 -9.139 1.00 0.00 C ATOM 1082 O GLU A 72 5.036 -7.074 -8.316 1.00 0.00 O ATOM 1083 CB GLU A 72 4.912 -5.357 -10.898 1.00 0.00 C ATOM 1084 CG GLU A 72 4.715 -4.010 -11.543 1.00 0.00 C ATOM 1085 CD GLU A 72 3.900 -4.111 -12.789 1.00 0.00 C ATOM 1086 OE1 GLU A 72 2.657 -4.134 -12.700 1.00 0.00 O ATOM 1087 OE2 GLU A 72 4.497 -4.199 -13.891 1.00 0.00 O ATOM 0 H GLU A 72 7.206 -4.651 -11.179 1.00 0.00 H new ATOM 0 HA GLU A 72 5.560 -4.666 -8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.274 -6.057 -11.651 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.945 -5.728 -10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.224 -3.338 -10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.686 -3.573 -11.777 1.00 0.00 H new ATOM 1094 N GLU A 73 6.847 -7.542 -9.544 1.00 0.00 N ATOM 1095 CA GLU A 73 6.955 -8.903 -9.048 1.00 0.00 C ATOM 1096 C GLU A 73 7.407 -8.915 -7.588 1.00 0.00 C ATOM 1097 O GLU A 73 7.194 -9.889 -6.866 1.00 0.00 O ATOM 1098 CB GLU A 73 7.915 -9.709 -9.908 1.00 0.00 C ATOM 1099 CG GLU A 73 7.488 -9.852 -11.358 1.00 0.00 C ATOM 1100 CD GLU A 73 8.494 -10.621 -12.171 1.00 0.00 C ATOM 1101 OE1 GLU A 73 8.558 -11.861 -12.041 1.00 0.00 O ATOM 1102 OE2 GLU A 73 9.236 -10.006 -12.963 1.00 0.00 O ATOM 0 H GLU A 73 7.566 -7.277 -10.217 1.00 0.00 H new ATOM 0 HA GLU A 73 5.969 -9.364 -9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.897 -9.237 -9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.025 -10.703 -9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.523 -10.358 -11.403 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.350 -8.863 -11.794 1.00 0.00 H new ATOM 1109 N ASP A 74 8.011 -7.823 -7.165 1.00 0.00 N ATOM 1110 CA ASP A 74 8.502 -7.699 -5.812 1.00 0.00 C ATOM 1111 C ASP A 74 7.492 -6.938 -4.975 1.00 0.00 C ATOM 1112 O ASP A 74 7.318 -7.213 -3.798 1.00 0.00 O ATOM 1113 CB ASP A 74 9.836 -6.969 -5.817 1.00 0.00 C ATOM 1114 CG ASP A 74 10.503 -6.910 -4.475 1.00 0.00 C ATOM 1115 OD1 ASP A 74 11.293 -7.846 -4.155 1.00 0.00 O ATOM 1116 OD2 ASP A 74 10.304 -5.949 -3.756 1.00 0.00 O ATOM 0 H ASP A 74 8.174 -7.002 -7.748 1.00 0.00 H new ATOM 0 HA ASP A 74 8.644 -8.691 -5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.505 -7.461 -6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.681 -5.953 -6.180 1.00 0.00 H new ATOM 1121 N VAL A 75 6.805 -5.987 -5.609 1.00 0.00 N ATOM 1122 CA VAL A 75 5.788 -5.196 -4.926 1.00 0.00 C ATOM 1123 C VAL A 75 4.673 -6.147 -4.474 1.00 0.00 C ATOM 1124 O VAL A 75 3.955 -6.714 -5.297 1.00 0.00 O ATOM 1125 CB VAL A 75 5.204 -4.081 -5.834 1.00 0.00 C ATOM 1126 CG1 VAL A 75 4.406 -3.107 -5.011 1.00 0.00 C ATOM 1127 CG2 VAL A 75 6.291 -3.352 -6.600 1.00 0.00 C ATOM 0 H VAL A 75 6.936 -5.748 -6.592 1.00 0.00 H new ATOM 0 HA VAL A 75 6.245 -4.696 -4.072 1.00 0.00 H new ATOM 0 HB VAL A 75 4.549 -4.558 -6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.001 -2.329 -5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.587 -3.632 -4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.051 -2.653 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.841 -2.580 -7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.985 -2.892 -5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.829 -4.060 -7.231 1.00 0.00 H new ATOM 1137 N SER A 76 4.521 -6.287 -3.181 1.00 0.00 N ATOM 1138 CA SER A 76 3.706 -7.321 -2.618 1.00 0.00 C ATOM 1139 C SER A 76 3.392 -6.964 -1.159 1.00 0.00 C ATOM 1140 O SER A 76 4.186 -6.274 -0.518 1.00 0.00 O ATOM 1141 CB SER A 76 4.522 -8.632 -2.667 1.00 0.00 C ATOM 1142 OG SER A 76 3.722 -9.771 -2.400 1.00 0.00 O ATOM 0 H SER A 76 4.964 -5.681 -2.490 1.00 0.00 H new ATOM 0 HA SER A 76 2.772 -7.432 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.982 -8.735 -3.650 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.332 -8.581 -1.940 1.00 0.00 H new ATOM 0 HG SER A 76 4.277 -10.578 -2.443 1.00 0.00 H new ATOM 1148 N PRO A 77 2.228 -7.430 -0.622 1.00 0.00 N ATOM 1149 CA PRO A 77 1.802 -7.160 0.777 1.00 0.00 C ATOM 1150 C PRO A 77 2.532 -8.017 1.831 1.00 0.00 C ATOM 1151 O PRO A 77 2.053 -8.158 2.958 1.00 0.00 O ATOM 1152 CB PRO A 77 0.318 -7.561 0.750 1.00 0.00 C ATOM 1153 CG PRO A 77 0.243 -8.628 -0.279 1.00 0.00 C ATOM 1154 CD PRO A 77 1.215 -8.230 -1.348 1.00 0.00 C ATOM 0 HA PRO A 77 2.014 -6.129 1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.014 -7.923 1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.318 -6.714 0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.502 -9.599 0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.767 -8.714 -0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.661 -9.101 -1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.731 -7.647 -2.132 1.00 0.00 H new ATOM 1162 N SER A 78 3.669 -8.543 1.487 1.00 0.00 N ATOM 1163 CA SER A 78 4.375 -9.434 2.373 1.00 0.00 C ATOM 1164 C SER A 78 5.608 -8.788 2.924 1.00 0.00 C ATOM 1165 O SER A 78 6.374 -8.143 2.210 1.00 0.00 O ATOM 1166 CB SER A 78 4.710 -10.739 1.665 1.00 0.00 C ATOM 1167 OG SER A 78 5.366 -11.669 2.528 1.00 0.00 O ATOM 0 H SER A 78 4.134 -8.373 0.595 1.00 0.00 H new ATOM 0 HA SER A 78 3.720 -9.661 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.794 -11.187 1.280 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.348 -10.531 0.806 1.00 0.00 H new ATOM 0 HG SER A 78 5.561 -12.492 2.034 1.00 0.00 H new ATOM 1173 N LEU A 79 5.774 -8.967 4.196 1.00 0.00 N ATOM 1174 CA LEU A 79 6.877 -8.438 4.922 1.00 0.00 C ATOM 1175 C LEU A 79 7.814 -9.519 5.350 1.00 0.00 C ATOM 1176 O LEU A 79 9.031 -9.326 5.385 1.00 0.00 O ATOM 1177 CB LEU A 79 6.395 -7.686 6.159 1.00 0.00 C ATOM 1178 CG LEU A 79 5.833 -6.280 5.970 1.00 0.00 C ATOM 1179 CD1 LEU A 79 6.881 -5.357 5.399 1.00 0.00 C ATOM 1180 CD2 LEU A 79 4.610 -6.274 5.104 1.00 0.00 C ATOM 0 H LEU A 79 5.124 -9.502 4.772 1.00 0.00 H new ATOM 0 HA LEU A 79 7.403 -7.754 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.626 -8.291 6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.230 -7.621 6.856 1.00 0.00 H new ATOM 0 HG LEU A 79 5.541 -5.918 6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.458 -4.360 5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.731 -5.307 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.212 -5.736 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.245 -5.253 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.858 -6.675 4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.836 -6.890 5.563 1.00 0.00 H new ATOM 1192 N GLU A 80 7.282 -10.670 5.665 1.00 0.00 N ATOM 1193 CA GLU A 80 8.114 -11.684 6.196 1.00 0.00 C ATOM 1194 C GLU A 80 8.790 -12.519 5.146 1.00 0.00 C ATOM 1195 O GLU A 80 8.333 -13.608 4.751 1.00 0.00 O ATOM 1196 CB GLU A 80 7.453 -12.486 7.278 1.00 0.00 C ATOM 1197 CG GLU A 80 8.382 -13.454 7.953 1.00 0.00 C ATOM 1198 CD GLU A 80 7.755 -14.096 9.149 1.00 0.00 C ATOM 1199 OE1 GLU A 80 7.033 -15.102 8.989 1.00 0.00 O ATOM 1200 OE2 GLU A 80 7.976 -13.608 10.270 1.00 0.00 O ATOM 0 H GLU A 80 6.297 -10.914 5.562 1.00 0.00 H new ATOM 0 HA GLU A 80 8.929 -11.158 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.043 -11.806 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.614 -13.036 6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.680 -14.225 7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.290 -12.933 8.256 1.00 0.00 H new ATOM 1207 N GLY A 81 9.813 -11.939 4.639 1.00 0.00 N ATOM 1208 CA GLY A 81 10.701 -12.578 3.753 1.00 0.00 C ATOM 1209 C GLY A 81 11.957 -11.757 3.656 1.00 0.00 C ATOM 1210 O GLY A 81 12.770 -11.911 2.743 1.00 0.00 O ATOM 0 H GLY A 81 10.061 -10.970 4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.932 -13.582 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.242 -12.685 2.770 1.00 0.00 H new ATOM 1214 N LEU A 82 12.096 -10.868 4.621 1.00 0.00 N ATOM 1215 CA LEU A 82 13.192 -9.967 4.724 1.00 0.00 C ATOM 1216 C LEU A 82 13.453 -9.619 6.188 1.00 0.00 C ATOM 1217 O LEU A 82 12.572 -9.808 7.037 1.00 0.00 O ATOM 1218 CB LEU A 82 13.039 -8.744 3.758 1.00 0.00 C ATOM 1219 CG LEU A 82 11.676 -8.013 3.659 1.00 0.00 C ATOM 1220 CD1 LEU A 82 11.363 -7.260 4.875 1.00 0.00 C ATOM 1221 CD2 LEU A 82 11.664 -7.062 2.510 1.00 0.00 C ATOM 0 H LEU A 82 11.416 -10.762 5.374 1.00 0.00 H new ATOM 0 HA LEU A 82 14.101 -10.456 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.786 -8.004 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.300 -9.085 2.756 1.00 0.00 H new ATOM 0 HG LEU A 82 10.925 -8.790 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.399 -6.765 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.320 -7.942 5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.136 -6.512 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.697 -6.562 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.451 -6.319 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.836 -7.609 1.583 1.00 0.00 H new ATOM 1233 N THR A 83 14.651 -9.168 6.479 1.00 0.00 N ATOM 1234 CA THR A 83 15.098 -8.939 7.841 1.00 0.00 C ATOM 1235 C THR A 83 14.878 -7.494 8.302 1.00 0.00 C ATOM 1236 O THR A 83 14.265 -6.698 7.595 1.00 0.00 O ATOM 1237 CB THR A 83 16.578 -9.299 7.930 1.00 0.00 C ATOM 1238 OG1 THR A 83 17.296 -8.558 6.930 1.00 0.00 O ATOM 1239 CG2 THR A 83 16.763 -10.776 7.671 1.00 0.00 C ATOM 0 H THR A 83 15.353 -8.946 5.773 1.00 0.00 H new ATOM 0 HA THR A 83 14.504 -9.568 8.504 1.00 0.00 H new ATOM 0 HB THR A 83 16.952 -9.056 8.925 1.00 0.00 H new ATOM 0 HG1 THR A 83 18.249 -8.781 6.979 1.00 0.00 H new ATOM 0 HG21 THR A 83 17.822 -11.027 7.736 1.00 0.00 H new ATOM 0 HG22 THR A 83 16.208 -11.348 8.415 1.00 0.00 H new ATOM 0 HG23 THR A 83 16.393 -11.020 6.675 1.00 0.00 H new ATOM 1247 N GLU A 84 15.393 -7.156 9.489 1.00 0.00 N ATOM 1248 CA GLU A 84 15.223 -5.823 10.050 1.00 0.00 C ATOM 1249 C GLU A 84 15.855 -4.718 9.222 1.00 0.00 C ATOM 1250 O GLU A 84 15.296 -3.649 9.126 1.00 0.00 O ATOM 1251 CB GLU A 84 15.651 -5.741 11.506 1.00 0.00 C ATOM 1252 CG GLU A 84 14.749 -6.515 12.440 1.00 0.00 C ATOM 1253 CD GLU A 84 15.153 -6.384 13.876 1.00 0.00 C ATOM 1254 OE1 GLU A 84 14.915 -5.318 14.475 1.00 0.00 O ATOM 1255 OE2 GLU A 84 15.695 -7.355 14.441 1.00 0.00 O ATOM 0 H GLU A 84 15.931 -7.793 10.076 1.00 0.00 H new ATOM 0 HA GLU A 84 14.148 -5.646 10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.669 -6.119 11.600 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.669 -4.695 11.814 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.724 -6.164 12.322 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.760 -7.568 12.159 1.00 0.00 H new ATOM 1262 N LYS A 85 16.999 -4.973 8.611 1.00 0.00 N ATOM 1263 CA LYS A 85 17.659 -3.953 7.754 1.00 0.00 C ATOM 1264 C LYS A 85 16.695 -3.559 6.603 1.00 0.00 C ATOM 1265 O LYS A 85 16.582 -2.394 6.208 1.00 0.00 O ATOM 1266 CB LYS A 85 18.949 -4.538 7.140 1.00 0.00 C ATOM 1267 CG LYS A 85 18.648 -5.700 6.225 1.00 0.00 C ATOM 1268 CD LYS A 85 19.846 -6.314 5.551 1.00 0.00 C ATOM 1269 CE LYS A 85 20.828 -6.920 6.541 1.00 0.00 C ATOM 1270 NZ LYS A 85 21.969 -7.557 5.852 1.00 0.00 N ATOM 0 H LYS A 85 17.499 -5.859 8.679 1.00 0.00 H new ATOM 0 HA LYS A 85 17.906 -3.081 8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.473 -3.761 6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.617 -4.865 7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.140 -6.473 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.951 -5.365 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.512 -7.086 4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.355 -5.553 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.195 -6.144 7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.316 -7.659 7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.619 -7.960 6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.620 -8.314 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.472 -6.846 5.284 1.00 0.00 H new ATOM 1284 N GLU A 86 15.985 -4.563 6.146 1.00 0.00 N ATOM 1285 CA GLU A 86 15.072 -4.513 5.050 1.00 0.00 C ATOM 1286 C GLU A 86 13.792 -3.856 5.490 1.00 0.00 C ATOM 1287 O GLU A 86 13.311 -2.900 4.886 1.00 0.00 O ATOM 1288 CB GLU A 86 14.789 -5.952 4.704 1.00 0.00 C ATOM 1289 CG GLU A 86 15.980 -6.761 4.205 1.00 0.00 C ATOM 1290 CD GLU A 86 16.555 -6.253 2.918 1.00 0.00 C ATOM 1291 OE1 GLU A 86 17.241 -5.224 2.923 1.00 0.00 O ATOM 1292 OE2 GLU A 86 16.351 -6.908 1.880 1.00 0.00 O ATOM 0 H GLU A 86 16.040 -5.492 6.563 1.00 0.00 H new ATOM 0 HA GLU A 86 15.477 -3.952 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.383 -6.445 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.012 -5.976 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.758 -6.754 4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.673 -7.798 4.071 1.00 0.00 H new ATOM 1299 N ILE A 87 13.266 -4.383 6.551 1.00 0.00 N ATOM 1300 CA ILE A 87 12.110 -3.862 7.223 1.00 0.00 C ATOM 1301 C ILE A 87 12.280 -2.387 7.586 1.00 0.00 C ATOM 1302 O ILE A 87 11.382 -1.590 7.347 1.00 0.00 O ATOM 1303 CB ILE A 87 11.819 -4.725 8.460 1.00 0.00 C ATOM 1304 CG1 ILE A 87 11.082 -5.998 8.077 1.00 0.00 C ATOM 1305 CG2 ILE A 87 11.084 -3.971 9.538 1.00 0.00 C ATOM 1306 CD1 ILE A 87 9.660 -5.752 7.621 1.00 0.00 C ATOM 0 H ILE A 87 13.643 -5.222 6.993 1.00 0.00 H new ATOM 0 HA ILE A 87 11.255 -3.909 6.548 1.00 0.00 H new ATOM 0 HB ILE A 87 12.785 -5.002 8.882 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.630 -6.501 7.280 1.00 0.00 H new ATOM 0 HG13 ILE A 87 11.070 -6.674 8.932 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.906 -4.631 10.387 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.684 -3.120 9.860 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.130 -3.616 9.148 1.00 0.00 H new ATOM 0 HD11 ILE A 87 9.191 -6.702 7.363 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.097 -5.276 8.424 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.666 -5.101 6.747 1.00 0.00 H new ATOM 1318 N ASN A 88 13.442 -2.016 8.123 1.00 0.00 N ATOM 1319 CA ASN A 88 13.696 -0.601 8.455 1.00 0.00 C ATOM 1320 C ASN A 88 13.588 0.271 7.256 1.00 0.00 C ATOM 1321 O ASN A 88 13.152 1.411 7.347 1.00 0.00 O ATOM 1322 CB ASN A 88 15.019 -0.353 9.181 1.00 0.00 C ATOM 1323 CG ASN A 88 14.942 -0.627 10.680 1.00 0.00 C ATOM 1324 OD1 ASN A 88 14.607 0.262 11.468 1.00 0.00 O ATOM 1325 ND2 ASN A 88 15.243 -1.823 11.083 1.00 0.00 N ATOM 0 H ASN A 88 14.210 -2.653 8.336 1.00 0.00 H new ATOM 0 HA ASN A 88 12.910 -0.334 9.161 1.00 0.00 H new ATOM 0 HB2 ASN A 88 15.791 -0.985 8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.325 0.681 9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 88 15.206 -2.051 12.077 1.00 0.00 H new ATOM 0 HD22 ASN A 88 15.516 -2.536 10.406 1.00 0.00 H new ATOM 1332 N THR A 89 13.949 -0.276 6.131 1.00 0.00 N ATOM 1333 CA THR A 89 13.885 0.434 4.913 1.00 0.00 C ATOM 1334 C THR A 89 12.411 0.781 4.549 1.00 0.00 C ATOM 1335 O THR A 89 12.122 1.924 4.199 1.00 0.00 O ATOM 1336 CB THR A 89 14.578 -0.346 3.791 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.931 -0.658 4.197 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.629 0.489 2.548 1.00 0.00 C ATOM 0 H THR A 89 14.296 -1.232 6.046 1.00 0.00 H new ATOM 0 HA THR A 89 14.420 1.376 5.036 1.00 0.00 H new ATOM 0 HB THR A 89 14.021 -1.262 3.594 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.912 -1.337 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.123 -0.071 1.754 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.615 0.742 2.238 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.186 1.404 2.747 1.00 0.00 H new ATOM 1346 N LEU A 90 11.468 -0.191 4.678 1.00 0.00 N ATOM 1347 CA LEU A 90 10.050 0.128 4.395 1.00 0.00 C ATOM 1348 C LEU A 90 9.493 0.996 5.496 1.00 0.00 C ATOM 1349 O LEU A 90 8.609 1.815 5.272 1.00 0.00 O ATOM 1350 CB LEU A 90 9.115 -1.111 4.239 1.00 0.00 C ATOM 1351 CG LEU A 90 8.029 -1.252 5.312 1.00 0.00 C ATOM 1352 CD1 LEU A 90 6.770 -1.717 4.713 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.429 -2.193 6.386 1.00 0.00 C ATOM 0 H LEU A 90 11.653 -1.153 4.962 1.00 0.00 H new ATOM 0 HA LEU A 90 10.063 0.638 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.633 -1.061 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.729 -2.012 4.246 1.00 0.00 H new ATOM 0 HG LEU A 90 7.889 -0.265 5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.011 -1.811 5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.436 -0.999 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.928 -2.686 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.631 -2.263 7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.613 -3.178 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.338 -1.831 6.867 1.00 0.00 H new ATOM 1365 N ASN A 91 10.020 0.784 6.688 1.00 0.00 N ATOM 1366 CA ASN A 91 9.584 1.454 7.903 1.00 0.00 C ATOM 1367 C ASN A 91 9.725 2.954 7.714 1.00 0.00 C ATOM 1368 O ASN A 91 8.942 3.758 8.239 1.00 0.00 O ATOM 1369 CB ASN A 91 10.430 0.969 9.084 1.00 0.00 C ATOM 1370 CG ASN A 91 9.715 1.059 10.408 1.00 0.00 C ATOM 1371 OD1 ASN A 91 9.753 2.078 11.105 1.00 0.00 O ATOM 1372 ND2 ASN A 91 9.045 -0.018 10.765 1.00 0.00 N ATOM 0 H ASN A 91 10.783 0.125 6.844 1.00 0.00 H new ATOM 0 HA ASN A 91 8.540 1.221 8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 91 10.726 -0.065 8.909 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.345 1.559 9.133 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.532 -0.031 11.646 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.039 -0.839 10.160 1.00 0.00 H new ATOM 1379 N ASP A 92 10.738 3.313 6.941 1.00 0.00 N ATOM 1380 CA ASP A 92 11.020 4.704 6.588 1.00 0.00 C ATOM 1381 C ASP A 92 9.872 5.225 5.743 1.00 0.00 C ATOM 1382 O ASP A 92 9.280 6.254 6.045 1.00 0.00 O ATOM 1383 CB ASP A 92 12.326 4.798 5.775 1.00 0.00 C ATOM 1384 CG ASP A 92 12.721 6.230 5.423 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.182 6.806 4.454 1.00 0.00 O ATOM 1386 OD2 ASP A 92 13.611 6.791 6.109 1.00 0.00 O ATOM 0 H ASP A 92 11.395 2.646 6.536 1.00 0.00 H new ATOM 0 HA ASP A 92 11.130 5.294 7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.133 4.336 6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.215 4.223 4.855 1.00 0.00 H new ATOM 1391 N TRP A 93 9.538 4.456 4.710 1.00 0.00 N ATOM 1392 CA TRP A 93 8.455 4.770 3.785 1.00 0.00 C ATOM 1393 C TRP A 93 7.115 4.904 4.498 1.00 0.00 C ATOM 1394 O TRP A 93 6.372 5.855 4.236 1.00 0.00 O ATOM 1395 CB TRP A 93 8.357 3.722 2.688 1.00 0.00 C ATOM 1396 CG TRP A 93 9.506 3.689 1.708 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.673 2.996 1.820 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.565 4.360 0.446 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.452 3.193 0.706 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.795 4.029 -0.151 1.00 0.00 C ATOM 1401 CE3 TRP A 93 8.695 5.205 -0.234 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 11.170 4.515 -1.397 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 9.065 5.690 -1.469 1.00 0.00 C ATOM 1404 CH2 TRP A 93 10.292 5.344 -2.039 1.00 0.00 C ATOM 0 H TRP A 93 10.020 3.584 4.490 1.00 0.00 H new ATOM 0 HA TRP A 93 8.693 5.734 3.336 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.274 2.741 3.155 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.434 3.890 2.132 1.00 0.00 H new ATOM 0 HD1 TRP A 93 10.947 2.380 2.664 1.00 0.00 H new ATOM 0 HE1 TRP A 93 12.371 2.782 0.545 1.00 0.00 H new ATOM 0 HE3 TRP A 93 7.744 5.477 0.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 12.118 4.249 -1.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 8.396 6.348 -2.004 1.00 0.00 H new ATOM 0 HH2 TRP A 93 10.554 5.740 -3.009 1.00 0.00 H new ATOM 1415 N GLU A 94 6.815 3.962 5.410 1.00 0.00 N ATOM 1416 CA GLU A 94 5.572 3.999 6.208 1.00 0.00 C ATOM 1417 C GLU A 94 5.416 5.354 6.848 1.00 0.00 C ATOM 1418 O GLU A 94 4.406 5.999 6.712 1.00 0.00 O ATOM 1419 CB GLU A 94 5.598 2.955 7.327 1.00 0.00 C ATOM 1420 CG GLU A 94 5.671 1.522 6.876 1.00 0.00 C ATOM 1421 CD GLU A 94 5.676 0.567 8.046 1.00 0.00 C ATOM 1422 OE1 GLU A 94 6.756 0.274 8.579 1.00 0.00 O ATOM 1423 OE2 GLU A 94 4.586 0.124 8.475 1.00 0.00 O ATOM 0 H GLU A 94 7.416 3.164 5.614 1.00 0.00 H new ATOM 0 HA GLU A 94 4.743 3.788 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.454 3.159 7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.704 3.080 7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.822 1.300 6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.572 1.373 6.281 1.00 0.00 H new ATOM 1430 N THR A 95 6.478 5.777 7.480 1.00 0.00 N ATOM 1431 CA THR A 95 6.570 7.022 8.224 1.00 0.00 C ATOM 1432 C THR A 95 6.254 8.233 7.331 1.00 0.00 C ATOM 1433 O THR A 95 5.643 9.214 7.769 1.00 0.00 O ATOM 1434 CB THR A 95 8.016 7.164 8.768 1.00 0.00 C ATOM 1435 OG1 THR A 95 8.341 6.002 9.567 1.00 0.00 O ATOM 1436 CG2 THR A 95 8.182 8.421 9.619 1.00 0.00 C ATOM 0 H THR A 95 7.347 5.244 7.496 1.00 0.00 H new ATOM 0 HA THR A 95 5.844 6.997 9.037 1.00 0.00 H new ATOM 0 HB THR A 95 8.689 7.244 7.915 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.852 5.365 9.025 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.208 8.483 9.980 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.956 9.301 9.017 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.500 8.378 10.468 1.00 0.00 H new ATOM 1444 N LYS A 96 6.643 8.135 6.083 1.00 0.00 N ATOM 1445 CA LYS A 96 6.523 9.227 5.161 1.00 0.00 C ATOM 1446 C LYS A 96 5.091 9.357 4.726 1.00 0.00 C ATOM 1447 O LYS A 96 4.524 10.436 4.713 1.00 0.00 O ATOM 1448 CB LYS A 96 7.476 9.001 3.994 1.00 0.00 C ATOM 1449 CG LYS A 96 8.921 8.810 4.460 1.00 0.00 C ATOM 1450 CD LYS A 96 9.461 10.048 5.157 1.00 0.00 C ATOM 1451 CE LYS A 96 10.860 9.841 5.724 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.854 9.487 4.690 1.00 0.00 N ATOM 0 H LYS A 96 7.052 7.291 5.682 1.00 0.00 H new ATOM 0 HA LYS A 96 6.802 10.169 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.158 8.123 3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.424 9.851 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.974 7.959 5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.551 8.573 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.479 10.879 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.784 10.330 5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.179 10.752 6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.829 9.052 6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.780 9.884 4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.928 8.452 4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.555 9.876 3.773 1.00 0.00 H new ATOM 1466 N PHE A 97 4.504 8.230 4.441 1.00 0.00 N ATOM 1467 CA PHE A 97 3.115 8.136 4.063 1.00 0.00 C ATOM 1468 C PHE A 97 2.219 8.454 5.246 1.00 0.00 C ATOM 1469 O PHE A 97 1.194 9.121 5.107 1.00 0.00 O ATOM 1470 CB PHE A 97 2.841 6.743 3.520 1.00 0.00 C ATOM 1471 CG PHE A 97 3.329 6.521 2.108 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.671 6.631 1.788 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.436 6.204 1.100 1.00 0.00 C ATOM 1474 CE1 PHE A 97 5.109 6.431 0.500 1.00 0.00 C ATOM 1475 CE2 PHE A 97 2.873 6.002 -0.192 1.00 0.00 C ATOM 1476 CZ PHE A 97 4.210 6.117 -0.490 1.00 0.00 C ATOM 0 H PHE A 97 4.984 7.330 4.464 1.00 0.00 H new ATOM 0 HA PHE A 97 2.896 8.866 3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.313 6.011 4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.768 6.556 3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.384 6.877 2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.384 6.114 1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.160 6.521 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.165 5.754 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.553 5.961 -1.502 1.00 0.00 H new ATOM 1486 N GLU A 98 2.650 8.009 6.400 1.00 0.00 N ATOM 1487 CA GLU A 98 1.990 8.217 7.683 1.00 0.00 C ATOM 1488 C GLU A 98 1.736 9.678 8.020 1.00 0.00 C ATOM 1489 O GLU A 98 0.819 9.987 8.782 1.00 0.00 O ATOM 1490 CB GLU A 98 2.823 7.560 8.784 1.00 0.00 C ATOM 1491 CG GLU A 98 2.309 6.224 9.249 1.00 0.00 C ATOM 1492 CD GLU A 98 0.954 6.339 9.918 1.00 0.00 C ATOM 1493 OE1 GLU A 98 0.896 6.774 11.088 1.00 0.00 O ATOM 1494 OE2 GLU A 98 -0.058 5.982 9.309 1.00 0.00 O ATOM 0 H GLU A 98 3.509 7.466 6.484 1.00 0.00 H new ATOM 0 HA GLU A 98 1.005 7.756 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.844 7.436 8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.867 8.235 9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.237 5.547 8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.022 5.784 9.947 1.00 0.00 H new ATOM 1501 N ALA A 99 2.498 10.577 7.457 1.00 0.00 N ATOM 1502 CA ALA A 99 2.338 11.956 7.800 1.00 0.00 C ATOM 1503 C ALA A 99 1.528 12.673 6.758 1.00 0.00 C ATOM 1504 O ALA A 99 1.108 13.811 6.963 1.00 0.00 O ATOM 1505 CB ALA A 99 3.693 12.614 7.963 1.00 0.00 C ATOM 0 H ALA A 99 3.225 10.380 6.769 1.00 0.00 H new ATOM 0 HA ALA A 99 1.802 12.016 8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.559 13.664 8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.249 12.111 8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.248 12.541 7.028 1.00 0.00 H new ATOM 1511 N LYS A 100 1.263 12.010 5.652 1.00 0.00 N ATOM 1512 CA LYS A 100 0.635 12.683 4.550 1.00 0.00 C ATOM 1513 C LYS A 100 -0.736 12.111 4.316 1.00 0.00 C ATOM 1514 O LYS A 100 -1.734 12.827 4.238 1.00 0.00 O ATOM 1515 CB LYS A 100 1.454 12.478 3.266 1.00 0.00 C ATOM 1516 CG LYS A 100 2.956 12.677 3.399 1.00 0.00 C ATOM 1517 CD LYS A 100 3.335 14.032 3.945 1.00 0.00 C ATOM 1518 CE LYS A 100 4.846 14.172 3.977 1.00 0.00 C ATOM 1519 NZ LYS A 100 5.297 15.487 4.483 1.00 0.00 N ATOM 0 H LYS A 100 1.471 11.023 5.499 1.00 0.00 H new ATOM 0 HA LYS A 100 0.572 13.744 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.272 11.468 2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.081 13.165 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.361 11.904 4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.421 12.544 2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.901 14.817 3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.928 14.156 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.264 13.385 4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.240 14.022 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.336 15.522 4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.924 16.241 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.948 15.624 5.453 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.781 10.815 4.234 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.963 10.125 3.851 1.00 0.00 C ATOM 1535 C TYR A 101 -2.620 9.490 5.054 1.00 0.00 C ATOM 1536 O TYR A 101 -1.934 9.046 5.981 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.607 9.048 2.840 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.791 9.545 1.673 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.268 10.539 0.826 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.473 9.034 1.434 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.504 11.000 -0.227 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.239 9.488 0.391 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.751 10.468 -0.437 1.00 0.00 C ATOM 1544 OH TYR A 101 1.521 10.917 -1.479 1.00 0.00 O ATOM 0 H TYR A 101 0.013 10.206 4.434 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.660 10.836 3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.053 8.258 3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.527 8.601 2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.250 10.956 0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.864 8.263 2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.886 11.770 -0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.223 9.076 0.222 1.00 0.00 H new ATOM 0 HH TYR A 101 1.933 10.153 -1.934 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.940 9.469 5.082 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.693 8.843 6.145 1.00 0.00 C ATOM 1556 C PRO A 102 -4.886 7.351 5.894 1.00 0.00 C ATOM 1557 O PRO A 102 -5.068 6.910 4.741 1.00 0.00 O ATOM 1558 CB PRO A 102 -6.035 9.557 6.059 1.00 0.00 C ATOM 1559 CG PRO A 102 -6.210 9.799 4.603 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.834 10.094 4.079 1.00 0.00 C ATOM 0 HA PRO A 102 -4.200 8.920 7.114 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.841 8.945 6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.030 10.490 6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.640 8.928 4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.887 10.634 4.422 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.683 9.669 3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.657 11.166 3.997 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.823 6.585 6.940 1.00 0.00 N ATOM 1569 CA VAL A 103 -5.083 5.167 6.845 1.00 0.00 C ATOM 1570 C VAL A 103 -6.583 4.960 6.827 1.00 0.00 C ATOM 1571 O VAL A 103 -7.263 5.119 7.842 1.00 0.00 O ATOM 1572 CB VAL A 103 -4.448 4.350 8.006 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -4.750 2.867 7.862 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -2.962 4.555 8.042 1.00 0.00 C ATOM 0 H VAL A 103 -4.593 6.913 7.878 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.622 4.801 5.928 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.885 4.708 8.938 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.294 2.321 8.688 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -5.829 2.712 7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.344 2.503 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.535 3.976 8.861 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.526 4.226 7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.744 5.612 8.193 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.089 4.639 5.675 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.520 4.477 5.481 1.00 0.00 C ATOM 1586 C VAL A 104 -8.959 3.024 5.636 1.00 0.00 C ATOM 1587 O VAL A 104 -10.126 2.684 5.408 1.00 0.00 O ATOM 1588 CB VAL A 104 -8.983 5.038 4.116 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.762 6.543 4.066 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.233 4.364 2.979 1.00 0.00 C ATOM 0 H VAL A 104 -6.532 4.479 4.836 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.003 5.058 6.267 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.047 4.831 4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.091 6.927 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.334 7.021 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.702 6.760 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.573 4.772 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.164 4.545 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.424 3.291 3.003 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.046 2.174 6.027 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.401 0.815 6.252 1.00 0.00 C ATOM 1602 C GLY A 105 -7.231 -0.112 6.233 1.00 0.00 C ATOM 1603 O GLY A 105 -6.075 0.318 6.306 1.00 0.00 O ATOM 0 H GLY A 105 -7.066 2.403 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.905 0.733 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.116 0.503 5.491 1.00 0.00 H new ATOM 1607 N ARG A 106 -7.522 -1.368 6.130 1.00 0.00 N ATOM 1608 CA ARG A 106 -6.519 -2.409 6.112 1.00 0.00 C ATOM 1609 C ARG A 106 -6.473 -3.069 4.782 1.00 0.00 C ATOM 1610 O ARG A 106 -7.426 -2.982 3.999 1.00 0.00 O ATOM 1611 CB ARG A 106 -6.882 -3.523 7.073 1.00 0.00 C ATOM 1612 CG ARG A 106 -8.243 -4.087 6.795 1.00 0.00 C ATOM 1613 CD ARG A 106 -8.476 -5.359 7.519 1.00 0.00 C ATOM 1614 NE ARG A 106 -8.382 -5.250 8.957 1.00 0.00 N ATOM 1615 CZ ARG A 106 -9.112 -5.968 9.810 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -10.014 -6.856 9.358 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -8.935 -5.812 11.115 1.00 0.00 N ATOM 0 H ARG A 106 -8.478 -1.716 6.054 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.576 -1.929 6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.139 -4.318 7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.849 -3.145 8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.002 -3.361 7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.354 -4.254 5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.465 -5.736 7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.752 -6.098 7.174 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.715 -4.582 9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.144 -6.985 8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.568 -7.401 10.018 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.244 -5.146 11.460 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.490 -6.358 11.774 1.00 0.00 H new ATOM 1631 N VAL A 107 -5.401 -3.740 4.533 1.00 0.00 N ATOM 1632 CA VAL A 107 -5.353 -4.618 3.436 1.00 0.00 C ATOM 1633 C VAL A 107 -5.093 -6.003 3.984 1.00 0.00 C ATOM 1634 O VAL A 107 -4.277 -6.185 4.897 1.00 0.00 O ATOM 1635 CB VAL A 107 -4.352 -4.250 2.336 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -2.946 -4.379 2.799 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -4.610 -5.079 1.125 1.00 0.00 C ATOM 0 H VAL A 107 -4.544 -3.690 5.084 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.312 -4.556 2.921 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.494 -3.200 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.270 -4.109 1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.780 -3.715 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.756 -5.409 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.896 -4.815 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.499 -6.134 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.623 -4.895 0.768 1.00 0.00 H new ATOM 1647 N VAL A 108 -5.798 -6.938 3.471 1.00 0.00 N ATOM 1648 CA VAL A 108 -5.815 -8.261 3.971 1.00 0.00 C ATOM 1649 C VAL A 108 -5.497 -9.265 2.936 1.00 0.00 C ATOM 1650 O VAL A 108 -5.718 -9.052 1.744 1.00 0.00 O ATOM 1651 CB VAL A 108 -7.164 -8.607 4.620 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -7.383 -7.684 5.718 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -8.290 -8.425 3.669 1.00 0.00 C ATOM 0 H VAL A 108 -6.402 -6.799 2.661 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.034 -8.297 4.730 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.131 -9.647 4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.336 -7.908 6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.578 -7.787 6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.400 -6.663 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.228 -8.679 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.323 -7.387 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.146 -9.076 2.806 1.00 0.00 H new ATOM 1663 N SER A 109 -4.892 -10.284 3.380 1.00 0.00 N ATOM 1664 CA SER A 109 -4.644 -11.421 2.619 1.00 0.00 C ATOM 1665 C SER A 109 -4.796 -12.582 3.602 1.00 0.00 C ATOM 1666 O SER A 109 -3.858 -12.847 4.387 1.00 0.00 O ATOM 1667 CB SER A 109 -3.227 -11.324 2.064 1.00 0.00 C ATOM 1668 OG SER A 109 -2.868 -12.450 1.279 1.00 0.00 O ATOM 1669 OXT SER A 109 -5.873 -13.210 3.628 1.00 0.00 O ATOM 0 H SER A 109 -4.539 -10.348 4.335 1.00 0.00 H new ATOM 0 HA SER A 109 -5.314 -11.546 1.769 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.139 -10.422 1.459 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.524 -11.223 2.891 1.00 0.00 H new ATOM 0 HG SER A 109 -1.953 -12.338 0.946 1.00 0.00 H new