USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 764 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 37 THR OG1 : rot -169:sc= 2.29 USER MOD Set 1.2: A 48 THR OG1 : rot 109:sc= 1.29 USER MOD Set 2.1: A 20 THR OG1 : rot -73:sc= 0.586 USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0.529 USER MOD Set 3.1: A 17 TYR OH : rot -157:sc= 1.23 USER MOD Set 3.2: A 18 TYR OH : rot 180:sc= -0.101 USER MOD Set 3.3: A 64 TYR OH : rot 16:sc= 1.07 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -40:sc= 0.185 USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0.893) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -170:sc= -0.225 USER MOD Single : A 51 MET CE :methyl -160:sc= -0.184 (180deg=-0.774) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 62 MET CE :methyl -162:sc= -0.182 (180deg=-0.723) USER MOD Single : A 65 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0111) USER MOD Single : A 68 SER OG : rot 109:sc= 0.965 USER MOD Single : A 69 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.0017) USER MOD Single : A 70 SER OG : rot 170:sc= -0.449 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0884 USER MOD Single : A 74 SER OG : rot 180:sc=-0.000604 USER MOD Single : A 78 GLN : amide:sc= -4.16! C(o=-4.2!,f=-4!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.17) USER MOD Single : A 88 SER OG : rot 29:sc= 1.41 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= 1.19 (180deg=1.06) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot -73:sc= -0.458 USER MOD Single : A 102 GLN : amide:sc= -1.52 K(o=-1.5,f=-5.1!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 107 LYS NZ :NH3+ -146:sc= -0.896! (180deg=-5.12!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -162:sc= -0.684 (180deg=-1.94) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N THR A 14 4.722 12.648 -15.061 1.00 0.00 N ATOM 205 CA THR A 14 5.614 11.979 -14.131 1.00 0.00 C ATOM 206 C THR A 14 4.841 11.382 -12.946 1.00 0.00 C ATOM 207 O THR A 14 4.140 12.089 -12.218 1.00 0.00 O ATOM 208 CB THR A 14 6.723 12.937 -13.626 1.00 0.00 C ATOM 209 OG1 THR A 14 7.608 12.250 -12.733 1.00 0.00 O ATOM 210 CG2 THR A 14 6.139 14.153 -12.921 1.00 0.00 C ATOM 0 HA THR A 14 6.090 11.162 -14.672 1.00 0.00 H new ATOM 0 HB THR A 14 7.276 13.280 -14.500 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.304 12.867 -12.424 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.948 14.800 -12.582 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.500 14.703 -13.612 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.550 13.828 -12.063 1.00 0.00 H new ATOM 218 N PRO A 15 4.940 10.056 -12.763 1.00 0.00 N ATOM 219 CA PRO A 15 4.274 9.355 -11.668 1.00 0.00 C ATOM 220 C PRO A 15 4.779 9.815 -10.307 1.00 0.00 C ATOM 221 O PRO A 15 5.874 9.451 -9.876 1.00 0.00 O ATOM 222 CB PRO A 15 4.625 7.885 -11.903 1.00 0.00 C ATOM 223 CG PRO A 15 5.038 7.814 -13.331 1.00 0.00 C ATOM 224 CD PRO A 15 5.691 9.132 -13.626 1.00 0.00 C ATOM 0 HA PRO A 15 3.201 9.544 -11.658 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.429 7.560 -11.243 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.770 7.238 -11.706 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.729 6.988 -13.499 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.178 7.648 -13.980 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.754 9.122 -13.383 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.607 9.400 -14.679 1.00 0.00 H new ATOM 232 N PHE A 16 3.967 10.624 -9.644 1.00 0.00 N ATOM 233 CA PHE A 16 4.324 11.225 -8.360 1.00 0.00 C ATOM 234 C PHE A 16 4.353 10.198 -7.227 1.00 0.00 C ATOM 235 O PHE A 16 4.823 10.492 -6.133 1.00 0.00 O ATOM 236 CB PHE A 16 3.330 12.345 -8.019 1.00 0.00 C ATOM 237 CG PHE A 16 1.890 11.901 -8.040 1.00 0.00 C ATOM 238 CD1 PHE A 16 1.148 11.971 -9.210 1.00 0.00 C ATOM 239 CD2 PHE A 16 1.284 11.406 -6.896 1.00 0.00 C ATOM 240 CE1 PHE A 16 -0.171 11.556 -9.238 1.00 0.00 C ATOM 241 CE2 PHE A 16 -0.034 10.986 -6.919 1.00 0.00 C ATOM 242 CZ PHE A 16 -0.762 11.061 -8.091 1.00 0.00 C ATOM 0 H PHE A 16 3.039 10.885 -9.978 1.00 0.00 H new ATOM 0 HA PHE A 16 5.330 11.633 -8.458 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.565 12.740 -7.031 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.460 13.163 -8.728 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.606 12.354 -10.110 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.847 11.347 -5.976 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.738 11.619 -10.155 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.494 10.600 -6.021 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.791 10.733 -8.111 1.00 0.00 H new ATOM 252 N TYR A 17 3.849 8.998 -7.489 1.00 0.00 N ATOM 253 CA TYR A 17 3.720 7.991 -6.449 1.00 0.00 C ATOM 254 C TYR A 17 4.975 7.123 -6.338 1.00 0.00 C ATOM 255 O TYR A 17 5.084 6.302 -5.429 1.00 0.00 O ATOM 256 CB TYR A 17 2.485 7.122 -6.712 1.00 0.00 C ATOM 257 CG TYR A 17 2.599 6.216 -7.918 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.266 6.665 -9.190 1.00 0.00 C ATOM 259 CD2 TYR A 17 3.035 4.909 -7.778 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.371 5.832 -10.288 1.00 0.00 C ATOM 261 CE2 TYR A 17 3.145 4.072 -8.869 1.00 0.00 C ATOM 262 CZ TYR A 17 2.813 4.538 -10.121 1.00 0.00 C ATOM 263 OH TYR A 17 2.926 3.707 -11.210 1.00 0.00 O ATOM 0 H TYR A 17 3.525 8.702 -8.410 1.00 0.00 H new ATOM 0 HA TYR A 17 3.599 8.507 -5.497 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.293 6.510 -5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.620 7.772 -6.843 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.920 7.679 -9.323 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.294 4.538 -6.797 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.108 6.194 -11.271 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.490 3.056 -8.742 1.00 0.00 H new ATOM 0 HH TYR A 17 2.882 2.773 -10.915 1.00 0.00 H new ATOM 273 N TYR A 18 5.921 7.299 -7.255 1.00 0.00 N ATOM 274 CA TYR A 18 7.143 6.512 -7.227 1.00 0.00 C ATOM 275 C TYR A 18 8.039 6.929 -6.066 1.00 0.00 C ATOM 276 O TYR A 18 8.188 8.116 -5.774 1.00 0.00 O ATOM 277 CB TYR A 18 7.906 6.635 -8.547 1.00 0.00 C ATOM 278 CG TYR A 18 7.390 5.734 -9.648 1.00 0.00 C ATOM 279 CD1 TYR A 18 6.798 4.509 -9.356 1.00 0.00 C ATOM 280 CD2 TYR A 18 7.500 6.103 -10.984 1.00 0.00 C ATOM 281 CE1 TYR A 18 6.331 3.684 -10.359 1.00 0.00 C ATOM 282 CE2 TYR A 18 7.033 5.282 -11.993 1.00 0.00 C ATOM 283 CZ TYR A 18 6.449 4.074 -11.676 1.00 0.00 C ATOM 284 OH TYR A 18 5.976 3.255 -12.677 1.00 0.00 O ATOM 0 H TYR A 18 5.864 7.973 -8.018 1.00 0.00 H new ATOM 0 HA TYR A 18 6.857 5.470 -7.086 1.00 0.00 H new ATOM 0 HB2 TYR A 18 7.857 7.670 -8.887 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.957 6.407 -8.369 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.702 4.198 -8.326 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.958 7.047 -11.238 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.875 2.736 -10.113 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.125 5.585 -13.025 1.00 0.00 H new ATOM 0 HH TYR A 18 6.135 3.677 -13.547 1.00 0.00 H new ATOM 294 N GLY A 19 8.633 5.941 -5.415 1.00 0.00 N ATOM 295 CA GLY A 19 9.501 6.206 -4.286 1.00 0.00 C ATOM 296 C GLY A 19 9.107 5.402 -3.066 1.00 0.00 C ATOM 297 O GLY A 19 8.365 4.424 -3.174 1.00 0.00 O ATOM 0 H GLY A 19 8.529 4.954 -5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.530 5.972 -4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.469 7.269 -4.046 1.00 0.00 H new ATOM 301 N THR A 20 9.605 5.808 -1.908 1.00 0.00 N ATOM 302 CA THR A 20 9.291 5.130 -0.662 1.00 0.00 C ATOM 303 C THR A 20 8.506 6.055 0.265 1.00 0.00 C ATOM 304 O THR A 20 8.961 7.149 0.605 1.00 0.00 O ATOM 305 CB THR A 20 10.573 4.645 0.043 1.00 0.00 C ATOM 306 OG1 THR A 20 11.312 3.779 -0.829 1.00 0.00 O ATOM 307 CG2 THR A 20 10.244 3.909 1.334 1.00 0.00 C ATOM 0 H THR A 20 10.231 6.607 -1.806 1.00 0.00 H new ATOM 0 HA THR A 20 8.678 4.260 -0.899 1.00 0.00 H new ATOM 0 HB THR A 20 11.176 5.519 0.289 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.855 2.915 -0.897 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.167 3.578 1.810 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.708 4.578 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.621 3.043 1.110 1.00 0.00 H new ATOM 315 N TRP A 21 7.325 5.610 0.662 1.00 0.00 N ATOM 316 CA TRP A 21 6.449 6.401 1.508 1.00 0.00 C ATOM 317 C TRP A 21 6.248 5.707 2.849 1.00 0.00 C ATOM 318 O TRP A 21 6.003 4.499 2.905 1.00 0.00 O ATOM 319 CB TRP A 21 5.097 6.601 0.820 1.00 0.00 C ATOM 320 CG TRP A 21 5.210 7.124 -0.582 1.00 0.00 C ATOM 321 CD1 TRP A 21 5.344 6.382 -1.720 1.00 0.00 C ATOM 322 CD2 TRP A 21 5.204 8.495 -0.994 1.00 0.00 C ATOM 323 NE1 TRP A 21 5.423 7.208 -2.814 1.00 0.00 N ATOM 324 CE2 TRP A 21 5.339 8.509 -2.396 1.00 0.00 C ATOM 325 CE3 TRP A 21 5.094 9.711 -0.317 1.00 0.00 C ATOM 326 CZ2 TRP A 21 5.369 9.694 -3.131 1.00 0.00 C ATOM 327 CZ3 TRP A 21 5.125 10.885 -1.048 1.00 0.00 C ATOM 328 CH2 TRP A 21 5.260 10.868 -2.440 1.00 0.00 C ATOM 0 H TRP A 21 6.949 4.696 0.409 1.00 0.00 H new ATOM 0 HA TRP A 21 6.910 7.374 1.678 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.563 5.651 0.803 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.497 7.293 1.410 1.00 0.00 H new ATOM 0 HD1 TRP A 21 5.382 5.303 -1.755 1.00 0.00 H new ATOM 0 HE1 TRP A 21 5.527 6.902 -3.781 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.987 9.735 0.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 5.474 9.684 -4.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.043 11.832 -0.535 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.279 11.803 -2.980 1.00 0.00 H new ATOM 339 N ASP A 22 6.365 6.465 3.926 1.00 0.00 N ATOM 340 CA ASP A 22 6.174 5.920 5.263 1.00 0.00 C ATOM 341 C ASP A 22 4.893 6.440 5.882 1.00 0.00 C ATOM 342 O ASP A 22 4.612 7.641 5.836 1.00 0.00 O ATOM 343 CB ASP A 22 7.358 6.262 6.167 1.00 0.00 C ATOM 344 CG ASP A 22 7.116 5.897 7.622 1.00 0.00 C ATOM 345 OD1 ASP A 22 6.675 4.762 7.894 1.00 0.00 O ATOM 346 OD2 ASP A 22 7.388 6.740 8.504 1.00 0.00 O ATOM 0 H ASP A 22 6.591 7.459 3.903 1.00 0.00 H new ATOM 0 HA ASP A 22 6.105 4.836 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.245 5.739 5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.567 7.329 6.095 1.00 0.00 H new ATOM 351 N GLU A 23 4.117 5.529 6.439 1.00 0.00 N ATOM 352 CA GLU A 23 2.929 5.883 7.182 1.00 0.00 C ATOM 353 C GLU A 23 3.299 6.465 8.537 1.00 0.00 C ATOM 354 O GLU A 23 2.957 7.605 8.848 1.00 0.00 O ATOM 355 CB GLU A 23 2.063 4.641 7.378 1.00 0.00 C ATOM 356 CG GLU A 23 0.938 4.511 6.374 1.00 0.00 C ATOM 357 CD GLU A 23 -0.266 5.353 6.753 1.00 0.00 C ATOM 358 OE1 GLU A 23 -0.800 5.159 7.866 1.00 0.00 O ATOM 359 OE2 GLU A 23 -0.692 6.203 5.949 1.00 0.00 O ATOM 0 H GLU A 23 4.295 4.526 6.388 1.00 0.00 H new ATOM 0 HA GLU A 23 2.375 6.635 6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.696 3.756 7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.640 4.660 8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.295 4.812 5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.639 3.465 6.298 1.00 0.00 H new ATOM 366 N GLY A 24 4.031 5.681 9.329 1.00 0.00 N ATOM 367 CA GLY A 24 4.242 6.027 10.723 1.00 0.00 C ATOM 368 C GLY A 24 2.918 6.230 11.424 1.00 0.00 C ATOM 369 O GLY A 24 2.801 7.038 12.344 1.00 0.00 O ATOM 0 H GLY A 24 4.480 4.815 9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.805 5.237 11.219 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.840 6.936 10.792 1.00 0.00 H new ATOM 373 N ARG A 25 1.924 5.477 10.973 1.00 0.00 N ATOM 374 CA ARG A 25 0.547 5.708 11.331 1.00 0.00 C ATOM 375 C ARG A 25 -0.231 4.415 11.120 1.00 0.00 C ATOM 376 O ARG A 25 0.298 3.473 10.520 1.00 0.00 O ATOM 377 CB ARG A 25 -0.001 6.823 10.432 1.00 0.00 C ATOM 378 CG ARG A 25 -1.194 7.579 10.987 1.00 0.00 C ATOM 379 CD ARG A 25 -1.597 8.707 10.049 1.00 0.00 C ATOM 380 NE ARG A 25 -0.446 9.535 9.672 1.00 0.00 N ATOM 381 CZ ARG A 25 -0.524 10.820 9.322 1.00 0.00 C ATOM 382 NH1 ARG A 25 -1.702 11.440 9.302 1.00 0.00 N ATOM 383 NH2 ARG A 25 0.578 11.483 8.988 1.00 0.00 N ATOM 0 H ARG A 25 2.060 4.685 10.345 1.00 0.00 H new ATOM 0 HA ARG A 25 0.453 6.010 12.374 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.800 7.536 10.236 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.282 6.388 9.473 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.032 6.896 11.124 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.949 7.985 11.969 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.054 8.289 9.152 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.351 9.329 10.531 1.00 0.00 H new ATOM 0 HE ARG A 25 0.476 9.099 9.678 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.550 10.932 9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.757 12.423 9.034 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.481 11.009 8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.521 12.466 8.720 1.00 0.00 H new ATOM 397 N ALA A 26 -1.457 4.372 11.637 1.00 0.00 N ATOM 398 CA ALA A 26 -2.354 3.225 11.464 1.00 0.00 C ATOM 399 C ALA A 26 -1.847 1.978 12.195 1.00 0.00 C ATOM 400 O ALA A 26 -0.704 1.936 12.658 1.00 0.00 O ATOM 401 CB ALA A 26 -2.556 2.930 9.985 1.00 0.00 C ATOM 0 H ALA A 26 -1.859 5.130 12.188 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.312 3.492 11.910 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.224 2.076 9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.994 3.801 9.497 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.595 2.702 9.525 1.00 0.00 H new ATOM 407 N PRO A 27 -2.712 0.966 12.365 1.00 0.00 N ATOM 408 CA PRO A 27 -2.300 -0.334 12.877 1.00 0.00 C ATOM 409 C PRO A 27 -1.627 -1.171 11.792 1.00 0.00 C ATOM 410 O PRO A 27 -2.119 -1.252 10.663 1.00 0.00 O ATOM 411 CB PRO A 27 -3.612 -1.000 13.322 1.00 0.00 C ATOM 412 CG PRO A 27 -4.690 0.016 13.105 1.00 0.00 C ATOM 413 CD PRO A 27 -4.156 0.999 12.105 1.00 0.00 C ATOM 0 HA PRO A 27 -1.573 -0.241 13.684 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.806 -1.903 12.743 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.562 -1.297 14.370 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.600 -0.457 12.736 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.947 0.515 14.040 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.391 0.705 11.082 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.572 1.995 12.254 1.00 0.00 H new ATOM 421 N GLY A 28 -0.508 -1.790 12.130 1.00 0.00 N ATOM 422 CA GLY A 28 0.196 -2.611 11.179 1.00 0.00 C ATOM 423 C GLY A 28 0.071 -4.085 11.501 1.00 0.00 C ATOM 424 O GLY A 28 -0.782 -4.477 12.303 1.00 0.00 O ATOM 0 H GLY A 28 -0.075 -1.736 13.052 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.195 -2.424 10.179 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.249 -2.330 11.167 1.00 0.00 H new ATOM 428 N PRO A 29 0.901 -4.921 10.867 1.00 0.00 N ATOM 429 CA PRO A 29 0.963 -6.356 11.154 1.00 0.00 C ATOM 430 C PRO A 29 1.064 -6.633 12.655 1.00 0.00 C ATOM 431 O PRO A 29 1.970 -6.139 13.335 1.00 0.00 O ATOM 432 CB PRO A 29 2.238 -6.811 10.444 1.00 0.00 C ATOM 433 CG PRO A 29 2.456 -5.819 9.352 1.00 0.00 C ATOM 434 CD PRO A 29 1.832 -4.521 9.806 1.00 0.00 C ATOM 0 HA PRO A 29 0.067 -6.879 10.819 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.084 -6.832 11.131 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.127 -7.819 10.044 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.520 -5.688 9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.001 -6.162 8.423 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.585 -3.826 10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.313 -4.021 8.988 1.00 0.00 H new ATOM 442 N THR A 30 0.141 -7.443 13.153 1.00 0.00 N ATOM 443 CA THR A 30 0.021 -7.693 14.583 1.00 0.00 C ATOM 444 C THR A 30 1.053 -8.718 15.044 1.00 0.00 C ATOM 445 O THR A 30 1.143 -9.051 16.225 1.00 0.00 O ATOM 446 CB THR A 30 -1.406 -8.173 14.922 1.00 0.00 C ATOM 447 OG1 THR A 30 -1.639 -8.150 16.338 1.00 0.00 O ATOM 448 CG2 THR A 30 -1.654 -9.576 14.390 1.00 0.00 C ATOM 0 H THR A 30 -0.541 -7.942 12.583 1.00 0.00 H new ATOM 0 HA THR A 30 0.212 -6.759 15.112 1.00 0.00 H new ATOM 0 HB THR A 30 -2.099 -7.484 14.439 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.837 -8.464 16.807 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.667 -9.888 14.644 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.533 -9.581 13.307 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.939 -10.267 14.838 1.00 0.00 H new ATOM 456 N ASP A 31 1.832 -9.209 14.092 1.00 0.00 N ATOM 457 CA ASP A 31 2.917 -10.148 14.375 1.00 0.00 C ATOM 458 C ASP A 31 3.949 -9.511 15.299 1.00 0.00 C ATOM 459 O ASP A 31 4.551 -10.178 16.142 1.00 0.00 O ATOM 460 CB ASP A 31 3.597 -10.584 13.076 1.00 0.00 C ATOM 461 CG ASP A 31 2.627 -11.158 12.063 1.00 0.00 C ATOM 462 OD1 ASP A 31 2.388 -12.385 12.082 1.00 0.00 O ATOM 463 OD2 ASP A 31 2.093 -10.381 11.246 1.00 0.00 O ATOM 0 H ASP A 31 1.734 -8.972 13.105 1.00 0.00 H new ATOM 0 HA ASP A 31 2.489 -11.021 14.867 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.109 -9.729 12.636 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.359 -11.329 13.304 1.00 0.00 H new ATOM 468 N GLY A 32 4.138 -8.210 15.137 1.00 0.00 N ATOM 469 CA GLY A 32 5.090 -7.482 15.955 1.00 0.00 C ATOM 470 C GLY A 32 5.748 -6.354 15.190 1.00 0.00 C ATOM 471 O GLY A 32 6.940 -6.089 15.347 1.00 0.00 O ATOM 0 H GLY A 32 3.646 -7.641 14.449 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.582 -7.078 16.831 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.855 -8.168 16.319 1.00 0.00 H new ATOM 475 N VAL A 33 4.969 -5.698 14.346 1.00 0.00 N ATOM 476 CA VAL A 33 5.481 -4.622 13.510 1.00 0.00 C ATOM 477 C VAL A 33 5.013 -3.273 14.043 1.00 0.00 C ATOM 478 O VAL A 33 3.864 -3.126 14.457 1.00 0.00 O ATOM 479 CB VAL A 33 5.027 -4.802 12.046 1.00 0.00 C ATOM 480 CG1 VAL A 33 5.598 -3.721 11.148 1.00 0.00 C ATOM 481 CG2 VAL A 33 5.424 -6.179 11.538 1.00 0.00 C ATOM 0 H VAL A 33 3.975 -5.892 14.221 1.00 0.00 H new ATOM 0 HA VAL A 33 6.570 -4.655 13.538 1.00 0.00 H new ATOM 0 HB VAL A 33 3.941 -4.713 12.020 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.257 -3.880 10.125 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.261 -2.744 11.495 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.687 -3.761 11.178 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.098 -6.293 10.504 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.507 -6.288 11.591 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.952 -6.944 12.154 1.00 0.00 H new ATOM 491 N LYS A 34 5.909 -2.294 14.033 1.00 0.00 N ATOM 492 CA LYS A 34 5.616 -0.984 14.589 1.00 0.00 C ATOM 493 C LYS A 34 4.945 -0.087 13.556 1.00 0.00 C ATOM 494 O LYS A 34 4.178 0.816 13.901 1.00 0.00 O ATOM 495 CB LYS A 34 6.907 -0.330 15.074 1.00 0.00 C ATOM 496 CG LYS A 34 7.697 -1.177 16.059 1.00 0.00 C ATOM 497 CD LYS A 34 8.903 -0.424 16.595 1.00 0.00 C ATOM 498 CE LYS A 34 8.489 0.760 17.459 1.00 0.00 C ATOM 499 NZ LYS A 34 7.788 0.335 18.699 1.00 0.00 N ATOM 0 H LYS A 34 6.847 -2.386 13.644 1.00 0.00 H new ATOM 0 HA LYS A 34 4.931 -1.114 15.427 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.537 -0.111 14.212 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.665 0.624 15.543 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.052 -1.471 16.887 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.026 -2.094 15.570 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.525 -1.102 17.180 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.512 -0.072 15.762 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.373 1.340 17.724 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.838 1.417 16.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.781 1.121 19.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.810 0.067 18.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.282 -0.480 19.115 1.00 0.00 H new ATOM 513 N SER A 35 5.246 -0.345 12.292 1.00 0.00 N ATOM 514 CA SER A 35 4.718 0.436 11.181 1.00 0.00 C ATOM 515 C SER A 35 5.195 -0.149 9.862 1.00 0.00 C ATOM 516 O SER A 35 6.096 -0.988 9.834 1.00 0.00 O ATOM 517 CB SER A 35 5.138 1.910 11.293 1.00 0.00 C ATOM 518 OG SER A 35 6.513 2.035 11.629 1.00 0.00 O ATOM 0 H SER A 35 5.865 -1.104 12.006 1.00 0.00 H new ATOM 0 HA SER A 35 3.630 0.392 11.218 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.946 2.417 10.348 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.531 2.406 12.050 1.00 0.00 H new ATOM 0 HG SER A 35 6.750 2.984 11.691 1.00 0.00 H new ATOM 524 N ALA A 36 4.593 0.296 8.774 1.00 0.00 N ATOM 525 CA ALA A 36 4.926 -0.223 7.463 1.00 0.00 C ATOM 526 C ALA A 36 5.357 0.893 6.525 1.00 0.00 C ATOM 527 O ALA A 36 4.842 2.010 6.590 1.00 0.00 O ATOM 528 CB ALA A 36 3.747 -0.984 6.876 1.00 0.00 C ATOM 0 H ALA A 36 3.871 1.016 8.774 1.00 0.00 H new ATOM 0 HA ALA A 36 5.764 -0.911 7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.015 -1.367 5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.489 -1.816 7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.891 -0.315 6.785 1.00 0.00 H new ATOM 534 N THR A 37 6.312 0.577 5.669 1.00 0.00 N ATOM 535 CA THR A 37 6.789 1.506 4.660 1.00 0.00 C ATOM 536 C THR A 37 6.514 0.926 3.278 1.00 0.00 C ATOM 537 O THR A 37 6.765 -0.254 3.036 1.00 0.00 O ATOM 538 CB THR A 37 8.303 1.780 4.821 1.00 0.00 C ATOM 539 OG1 THR A 37 9.017 0.539 4.917 1.00 0.00 O ATOM 540 CG2 THR A 37 8.580 2.625 6.055 1.00 0.00 C ATOM 0 H THR A 37 6.779 -0.330 5.653 1.00 0.00 H new ATOM 0 HA THR A 37 6.262 2.452 4.781 1.00 0.00 H new ATOM 0 HB THR A 37 8.642 2.331 3.944 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.942 0.714 5.190 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.652 2.801 6.142 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.061 3.580 5.966 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.225 2.101 6.942 1.00 0.00 H new ATOM 548 N VAL A 38 5.977 1.733 2.383 1.00 0.00 N ATOM 549 CA VAL A 38 5.597 1.237 1.070 1.00 0.00 C ATOM 550 C VAL A 38 6.470 1.848 -0.024 1.00 0.00 C ATOM 551 O VAL A 38 6.775 3.038 -0.007 1.00 0.00 O ATOM 552 CB VAL A 38 4.102 1.507 0.775 1.00 0.00 C ATOM 553 CG1 VAL A 38 3.814 2.998 0.717 1.00 0.00 C ATOM 554 CG2 VAL A 38 3.668 0.819 -0.512 1.00 0.00 C ATOM 0 H VAL A 38 5.795 2.725 2.536 1.00 0.00 H new ATOM 0 HA VAL A 38 5.754 0.158 1.075 1.00 0.00 H new ATOM 0 HB VAL A 38 3.520 1.087 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.756 3.156 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.067 3.455 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.412 3.454 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.614 1.024 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.262 1.196 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.817 -0.257 -0.418 1.00 0.00 H new ATOM 564 N THR A 39 6.899 1.013 -0.947 1.00 0.00 N ATOM 565 CA THR A 39 7.648 1.465 -2.101 1.00 0.00 C ATOM 566 C THR A 39 6.932 1.033 -3.375 1.00 0.00 C ATOM 567 O THR A 39 6.546 -0.127 -3.519 1.00 0.00 O ATOM 568 CB THR A 39 9.086 0.908 -2.081 1.00 0.00 C ATOM 569 OG1 THR A 39 9.732 1.282 -0.857 1.00 0.00 O ATOM 570 CG2 THR A 39 9.894 1.431 -3.257 1.00 0.00 C ATOM 0 H THR A 39 6.739 0.006 -0.919 1.00 0.00 H new ATOM 0 HA THR A 39 7.710 2.553 -2.071 1.00 0.00 H new ATOM 0 HB THR A 39 9.030 -0.178 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.645 0.925 -0.847 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.903 1.021 -3.216 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.417 1.129 -4.189 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.942 2.519 -3.210 1.00 0.00 H new ATOM 578 N PHE A 40 6.746 1.961 -4.295 1.00 0.00 N ATOM 579 CA PHE A 40 6.021 1.667 -5.514 1.00 0.00 C ATOM 580 C PHE A 40 6.989 1.431 -6.659 1.00 0.00 C ATOM 581 O PHE A 40 7.797 2.296 -6.997 1.00 0.00 O ATOM 582 CB PHE A 40 5.056 2.800 -5.852 1.00 0.00 C ATOM 583 CG PHE A 40 3.908 2.920 -4.889 1.00 0.00 C ATOM 584 CD1 PHE A 40 2.757 2.168 -5.068 1.00 0.00 C ATOM 585 CD2 PHE A 40 3.975 3.783 -3.805 1.00 0.00 C ATOM 586 CE1 PHE A 40 1.696 2.276 -4.188 1.00 0.00 C ATOM 587 CE2 PHE A 40 2.918 3.896 -2.923 1.00 0.00 C ATOM 588 CZ PHE A 40 1.776 3.140 -3.115 1.00 0.00 C ATOM 0 H PHE A 40 7.086 2.920 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 40 5.439 0.758 -5.360 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.605 3.741 -5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.662 2.643 -6.856 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.688 1.489 -5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.865 4.374 -3.649 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.805 1.685 -4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.983 4.574 -2.085 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.948 3.226 -2.426 1.00 0.00 H new ATOM 598 N THR A 41 6.907 0.247 -7.234 1.00 0.00 N ATOM 599 CA THR A 41 7.780 -0.146 -8.321 1.00 0.00 C ATOM 600 C THR A 41 7.078 0.114 -9.655 1.00 0.00 C ATOM 601 O THR A 41 5.928 0.566 -9.674 1.00 0.00 O ATOM 602 CB THR A 41 8.160 -1.638 -8.180 1.00 0.00 C ATOM 603 OG1 THR A 41 8.204 -1.983 -6.791 1.00 0.00 O ATOM 604 CG2 THR A 41 9.519 -1.943 -8.798 1.00 0.00 C ATOM 0 H THR A 41 6.234 -0.469 -6.960 1.00 0.00 H new ATOM 0 HA THR A 41 8.697 0.443 -8.287 1.00 0.00 H new ATOM 0 HB THR A 41 7.406 -2.222 -8.707 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.595 -2.876 -6.688 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.745 -3.002 -8.676 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.500 -1.696 -9.860 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.286 -1.349 -8.301 1.00 0.00 H new ATOM 612 N GLU A 42 7.762 -0.180 -10.755 1.00 0.00 N ATOM 613 CA GLU A 42 7.273 0.091 -12.093 1.00 0.00 C ATOM 614 C GLU A 42 5.864 -0.464 -12.306 1.00 0.00 C ATOM 615 O GLU A 42 5.031 0.168 -12.962 1.00 0.00 O ATOM 616 CB GLU A 42 8.248 -0.514 -13.098 1.00 0.00 C ATOM 617 CG GLU A 42 9.700 -0.151 -12.813 1.00 0.00 C ATOM 618 CD GLU A 42 10.664 -0.690 -13.846 1.00 0.00 C ATOM 619 OE1 GLU A 42 10.915 -1.914 -13.859 1.00 0.00 O ATOM 620 OE2 GLU A 42 11.189 0.111 -14.646 1.00 0.00 O ATOM 0 H GLU A 42 8.683 -0.619 -10.738 1.00 0.00 H new ATOM 0 HA GLU A 42 7.210 1.170 -12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.142 -1.599 -13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.985 -0.175 -14.100 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.794 0.934 -12.769 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.978 -0.535 -11.831 1.00 0.00 H new ATOM 627 N ASP A 43 5.595 -1.642 -11.757 1.00 0.00 N ATOM 628 CA ASP A 43 4.260 -2.226 -11.847 1.00 0.00 C ATOM 629 C ASP A 43 3.964 -3.133 -10.650 1.00 0.00 C ATOM 630 O ASP A 43 3.041 -3.951 -10.685 1.00 0.00 O ATOM 631 CB ASP A 43 4.104 -3.003 -13.159 1.00 0.00 C ATOM 632 CG ASP A 43 4.923 -4.277 -13.217 1.00 0.00 C ATOM 633 OD1 ASP A 43 6.168 -4.192 -13.301 1.00 0.00 O ATOM 634 OD2 ASP A 43 4.323 -5.370 -13.219 1.00 0.00 O ATOM 0 H ASP A 43 6.275 -2.208 -11.249 1.00 0.00 H new ATOM 0 HA ASP A 43 3.537 -1.410 -11.833 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.052 -3.252 -13.300 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.393 -2.358 -13.989 1.00 0.00 H new ATOM 639 N GLU A 44 4.719 -2.951 -9.574 1.00 0.00 N ATOM 640 CA GLU A 44 4.560 -3.767 -8.376 1.00 0.00 C ATOM 641 C GLU A 44 4.475 -2.899 -7.127 1.00 0.00 C ATOM 642 O GLU A 44 5.080 -1.828 -7.061 1.00 0.00 O ATOM 643 CB GLU A 44 5.733 -4.732 -8.230 1.00 0.00 C ATOM 644 CG GLU A 44 5.805 -5.777 -9.327 1.00 0.00 C ATOM 645 CD GLU A 44 7.086 -6.575 -9.275 1.00 0.00 C ATOM 646 OE1 GLU A 44 7.142 -7.565 -8.520 1.00 0.00 O ATOM 647 OE2 GLU A 44 8.040 -6.220 -10.000 1.00 0.00 O ATOM 0 H GLU A 44 5.450 -2.243 -9.506 1.00 0.00 H new ATOM 0 HA GLU A 44 3.632 -4.328 -8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.662 -4.162 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.660 -5.235 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.955 -6.453 -9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.723 -5.288 -10.298 1.00 0.00 H new ATOM 654 N VAL A 45 3.716 -3.361 -6.145 1.00 0.00 N ATOM 655 CA VAL A 45 3.651 -2.702 -4.848 1.00 0.00 C ATOM 656 C VAL A 45 4.507 -3.465 -3.845 1.00 0.00 C ATOM 657 O VAL A 45 4.256 -4.641 -3.570 1.00 0.00 O ATOM 658 CB VAL A 45 2.202 -2.617 -4.316 1.00 0.00 C ATOM 659 CG1 VAL A 45 2.157 -1.934 -2.958 1.00 0.00 C ATOM 660 CG2 VAL A 45 1.306 -1.889 -5.301 1.00 0.00 C ATOM 0 H VAL A 45 3.133 -4.194 -6.222 1.00 0.00 H new ATOM 0 HA VAL A 45 4.025 -1.686 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 45 1.832 -3.636 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.126 -1.888 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.757 -2.500 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.556 -0.923 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.292 -1.842 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.682 -0.878 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.300 -2.424 -6.251 1.00 0.00 H new ATOM 670 N VAL A 46 5.518 -2.798 -3.315 1.00 0.00 N ATOM 671 CA VAL A 46 6.412 -3.407 -2.341 1.00 0.00 C ATOM 672 C VAL A 46 6.162 -2.825 -0.961 1.00 0.00 C ATOM 673 O VAL A 46 6.221 -1.611 -0.775 1.00 0.00 O ATOM 674 CB VAL A 46 7.894 -3.186 -2.716 1.00 0.00 C ATOM 675 CG1 VAL A 46 8.815 -3.816 -1.681 1.00 0.00 C ATOM 676 CG2 VAL A 46 8.182 -3.739 -4.104 1.00 0.00 C ATOM 0 H VAL A 46 5.742 -1.830 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 46 6.207 -4.478 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 46 8.086 -2.113 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.853 -3.647 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.629 -3.365 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.623 -4.888 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.231 -3.574 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.969 -4.808 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.553 -3.232 -4.836 1.00 0.00 H new ATOM 686 N GLU A 47 5.881 -3.686 0.001 1.00 0.00 N ATOM 687 CA GLU A 47 5.683 -3.243 1.367 1.00 0.00 C ATOM 688 C GLU A 47 6.748 -3.826 2.272 1.00 0.00 C ATOM 689 O GLU A 47 7.109 -5.000 2.164 1.00 0.00 O ATOM 690 CB GLU A 47 4.304 -3.631 1.887 1.00 0.00 C ATOM 691 CG GLU A 47 3.457 -2.442 2.310 1.00 0.00 C ATOM 692 CD GLU A 47 2.160 -2.857 2.969 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.174 -3.108 2.246 1.00 0.00 O ATOM 694 OE2 GLU A 47 2.121 -2.939 4.215 1.00 0.00 O ATOM 0 H GLU A 47 5.785 -4.692 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 47 5.758 -2.156 1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.775 -4.186 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.421 -4.304 2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.028 -1.821 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.236 -1.829 1.436 1.00 0.00 H new ATOM 701 N THR A 48 7.248 -2.991 3.150 1.00 0.00 N ATOM 702 CA THR A 48 8.240 -3.396 4.118 1.00 0.00 C ATOM 703 C THR A 48 7.690 -3.242 5.527 1.00 0.00 C ATOM 704 O THR A 48 7.028 -2.250 5.841 1.00 0.00 O ATOM 705 CB THR A 48 9.532 -2.568 3.976 1.00 0.00 C ATOM 706 OG1 THR A 48 9.310 -1.442 3.115 1.00 0.00 O ATOM 707 CG2 THR A 48 10.663 -3.418 3.422 1.00 0.00 C ATOM 0 H THR A 48 6.978 -2.009 3.214 1.00 0.00 H new ATOM 0 HA THR A 48 8.480 -4.443 3.931 1.00 0.00 H new ATOM 0 HB THR A 48 9.815 -2.214 4.967 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.311 -0.619 3.646 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.564 -2.811 3.331 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.855 -4.253 4.096 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.383 -3.801 2.441 1.00 0.00 H new ATOM 715 N GLU A 49 7.965 -4.219 6.369 1.00 0.00 N ATOM 716 CA GLU A 49 7.533 -4.165 7.750 1.00 0.00 C ATOM 717 C GLU A 49 8.679 -3.679 8.604 1.00 0.00 C ATOM 718 O GLU A 49 9.773 -4.244 8.559 1.00 0.00 O ATOM 719 CB GLU A 49 7.118 -5.543 8.259 1.00 0.00 C ATOM 720 CG GLU A 49 6.102 -6.263 7.394 1.00 0.00 C ATOM 721 CD GLU A 49 5.865 -7.690 7.855 1.00 0.00 C ATOM 722 OE1 GLU A 49 6.697 -8.565 7.533 1.00 0.00 O ATOM 723 OE2 GLU A 49 4.847 -7.942 8.535 1.00 0.00 O ATOM 0 H GLU A 49 8.486 -5.060 6.120 1.00 0.00 H new ATOM 0 HA GLU A 49 6.678 -3.492 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.008 -6.166 8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.708 -5.435 9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.159 -5.716 7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.447 -6.270 6.360 1.00 0.00 H new ATOM 730 N VAL A 50 8.443 -2.631 9.367 1.00 0.00 N ATOM 731 CA VAL A 50 9.436 -2.171 10.312 1.00 0.00 C ATOM 732 C VAL A 50 9.203 -2.876 11.633 1.00 0.00 C ATOM 733 O VAL A 50 8.217 -2.618 12.328 1.00 0.00 O ATOM 734 CB VAL A 50 9.373 -0.643 10.520 1.00 0.00 C ATOM 735 CG1 VAL A 50 10.472 -0.181 11.469 1.00 0.00 C ATOM 736 CG2 VAL A 50 9.472 0.089 9.189 1.00 0.00 C ATOM 0 H VAL A 50 7.580 -2.087 9.351 1.00 0.00 H new ATOM 0 HA VAL A 50 10.425 -2.403 9.916 1.00 0.00 H new ATOM 0 HB VAL A 50 8.410 -0.403 10.970 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.408 0.899 11.601 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.350 -0.672 12.434 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.445 -0.439 11.052 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.425 1.164 9.361 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.417 -0.161 8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.645 -0.212 8.546 1.00 0.00 H new ATOM 746 N MET A 51 10.113 -3.758 11.979 1.00 0.00 N ATOM 747 CA MET A 51 9.937 -4.592 13.147 1.00 0.00 C ATOM 748 C MET A 51 10.943 -4.217 14.211 1.00 0.00 C ATOM 749 O MET A 51 12.132 -4.036 13.928 1.00 0.00 O ATOM 750 CB MET A 51 10.069 -6.067 12.780 1.00 0.00 C ATOM 751 CG MET A 51 9.547 -7.012 13.850 1.00 0.00 C ATOM 752 SD MET A 51 9.657 -8.746 13.360 1.00 0.00 S ATOM 753 CE MET A 51 8.607 -8.761 11.903 1.00 0.00 C ATOM 0 H MET A 51 10.982 -3.917 11.469 1.00 0.00 H new ATOM 0 HA MET A 51 8.934 -4.429 13.542 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.529 -6.251 11.851 1.00 0.00 H new ATOM 0 HB3 MET A 51 11.118 -6.292 12.589 1.00 0.00 H new ATOM 0 HG2 MET A 51 10.113 -6.862 14.769 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.508 -6.766 14.071 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.287 -9.782 11.696 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.732 -8.135 12.078 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.164 -8.375 11.049 1.00 0.00 H new ATOM 763 N GLU A 52 10.453 -4.118 15.431 1.00 0.00 N ATOM 764 CA GLU A 52 11.242 -3.668 16.563 1.00 0.00 C ATOM 765 C GLU A 52 12.385 -4.635 16.849 1.00 0.00 C ATOM 766 O GLU A 52 12.158 -5.790 17.214 1.00 0.00 O ATOM 767 CB GLU A 52 10.321 -3.532 17.778 1.00 0.00 C ATOM 768 CG GLU A 52 10.931 -2.793 18.954 1.00 0.00 C ATOM 769 CD GLU A 52 9.879 -2.388 19.967 1.00 0.00 C ATOM 770 OE1 GLU A 52 9.363 -3.270 20.682 1.00 0.00 O ATOM 771 OE2 GLU A 52 9.548 -1.184 20.035 1.00 0.00 O ATOM 0 H GLU A 52 9.488 -4.349 15.667 1.00 0.00 H new ATOM 0 HA GLU A 52 11.689 -2.700 16.335 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.412 -3.014 17.472 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.025 -4.528 18.106 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.675 -3.427 19.436 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.452 -1.905 18.596 1.00 0.00 H new ATOM 778 N GLY A 53 13.611 -4.172 16.644 1.00 0.00 N ATOM 779 CA GLY A 53 14.772 -4.995 16.910 1.00 0.00 C ATOM 780 C GLY A 53 15.343 -5.627 15.655 1.00 0.00 C ATOM 781 O GLY A 53 16.492 -6.064 15.644 1.00 0.00 O ATOM 0 H GLY A 53 13.822 -3.236 16.297 1.00 0.00 H new ATOM 0 HA2 GLY A 53 15.541 -4.388 17.388 1.00 0.00 H new ATOM 0 HA3 GLY A 53 14.501 -5.780 17.616 1.00 0.00 H new ATOM 785 N ARG A 54 14.547 -5.678 14.592 1.00 0.00 N ATOM 786 CA ARG A 54 14.984 -6.298 13.350 1.00 0.00 C ATOM 787 C ARG A 54 15.403 -5.239 12.333 1.00 0.00 C ATOM 788 O ARG A 54 16.589 -5.014 12.096 1.00 0.00 O ATOM 789 CB ARG A 54 13.857 -7.128 12.743 1.00 0.00 C ATOM 790 CG ARG A 54 12.956 -7.797 13.761 1.00 0.00 C ATOM 791 CD ARG A 54 13.573 -9.040 14.373 1.00 0.00 C ATOM 792 NE ARG A 54 12.597 -9.748 15.199 1.00 0.00 N ATOM 793 CZ ARG A 54 12.833 -10.172 16.435 1.00 0.00 C ATOM 794 NH1 ARG A 54 14.039 -10.030 16.966 1.00 0.00 N ATOM 795 NH2 ARG A 54 11.863 -10.748 17.131 1.00 0.00 N ATOM 0 H ARG A 54 13.600 -5.299 14.567 1.00 0.00 H new ATOM 0 HA ARG A 54 15.835 -6.938 13.584 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.250 -6.484 12.106 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.291 -7.894 12.101 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.722 -7.086 14.554 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.013 -8.064 13.284 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.935 -9.699 13.584 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.436 -8.763 14.978 1.00 0.00 H new ATOM 0 HE ARG A 54 11.675 -9.928 14.800 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.786 -9.595 16.425 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.220 -10.356 17.915 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.938 -10.865 16.717 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.041 -11.075 18.081 1.00 0.00 H new ATOM 809 N GLY A 55 14.406 -4.578 11.766 1.00 0.00 N ATOM 810 CA GLY A 55 14.622 -3.664 10.666 1.00 0.00 C ATOM 811 C GLY A 55 13.462 -3.728 9.696 1.00 0.00 C ATOM 812 O GLY A 55 12.359 -4.118 10.087 1.00 0.00 O ATOM 0 H GLY A 55 13.432 -4.662 12.056 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.733 -2.648 11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.550 -3.916 10.152 1.00 0.00 H new ATOM 816 N GLU A 56 13.695 -3.357 8.447 1.00 0.00 N ATOM 817 CA GLU A 56 12.671 -3.444 7.425 1.00 0.00 C ATOM 818 C GLU A 56 12.752 -4.764 6.678 1.00 0.00 C ATOM 819 O GLU A 56 13.774 -5.100 6.076 1.00 0.00 O ATOM 820 CB GLU A 56 12.799 -2.281 6.452 1.00 0.00 C ATOM 821 CG GLU A 56 12.525 -0.937 7.094 1.00 0.00 C ATOM 822 CD GLU A 56 12.638 0.211 6.119 1.00 0.00 C ATOM 823 OE1 GLU A 56 11.677 0.458 5.366 1.00 0.00 O ATOM 824 OE2 GLU A 56 13.694 0.882 6.111 1.00 0.00 O ATOM 0 H GLU A 56 14.589 -2.992 8.118 1.00 0.00 H new ATOM 0 HA GLU A 56 11.699 -3.392 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.804 -2.277 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.106 -2.430 5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.525 -0.943 7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.226 -0.782 7.914 1.00 0.00 H new ATOM 831 N VAL A 57 11.664 -5.507 6.739 1.00 0.00 N ATOM 832 CA VAL A 57 11.555 -6.789 6.063 1.00 0.00 C ATOM 833 C VAL A 57 10.526 -6.697 4.936 1.00 0.00 C ATOM 834 O VAL A 57 9.403 -6.241 5.152 1.00 0.00 O ATOM 835 CB VAL A 57 11.142 -7.890 7.060 1.00 0.00 C ATOM 836 CG1 VAL A 57 10.877 -9.212 6.349 1.00 0.00 C ATOM 837 CG2 VAL A 57 12.210 -8.067 8.128 1.00 0.00 C ATOM 0 H VAL A 57 10.828 -5.240 7.259 1.00 0.00 H new ATOM 0 HA VAL A 57 12.527 -7.045 5.642 1.00 0.00 H new ATOM 0 HB VAL A 57 10.214 -7.576 7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.588 -9.967 7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.072 -9.081 5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.781 -9.535 5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.903 -8.848 8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.152 -8.350 7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.342 -7.130 8.669 1.00 0.00 H new ATOM 847 N GLN A 58 10.916 -7.108 3.734 1.00 0.00 N ATOM 848 CA GLN A 58 10.059 -6.997 2.569 1.00 0.00 C ATOM 849 C GLN A 58 9.028 -8.123 2.520 1.00 0.00 C ATOM 850 O GLN A 58 9.359 -9.302 2.698 1.00 0.00 O ATOM 851 CB GLN A 58 10.908 -7.008 1.300 1.00 0.00 C ATOM 852 CG GLN A 58 11.935 -5.889 1.244 1.00 0.00 C ATOM 853 CD GLN A 58 12.617 -5.784 -0.103 1.00 0.00 C ATOM 854 OE1 GLN A 58 12.759 -6.773 -0.825 1.00 0.00 O ATOM 855 NE2 GLN A 58 13.043 -4.581 -0.453 1.00 0.00 N ATOM 0 H GLN A 58 11.828 -7.524 3.545 1.00 0.00 H new ATOM 0 HA GLN A 58 9.517 -6.054 2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.423 -7.966 1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.252 -6.931 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.446 -4.942 1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.688 -6.054 2.015 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.905 -3.789 0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.509 -4.446 -1.350 1.00 0.00 H new ATOM 864 N LEU A 59 7.779 -7.748 2.296 1.00 0.00 N ATOM 865 CA LEU A 59 6.693 -8.707 2.140 1.00 0.00 C ATOM 866 C LEU A 59 6.569 -9.141 0.683 1.00 0.00 C ATOM 867 O LEU A 59 7.122 -8.493 -0.205 1.00 0.00 O ATOM 868 CB LEU A 59 5.370 -8.081 2.606 1.00 0.00 C ATOM 869 CG LEU A 59 5.217 -7.926 4.117 1.00 0.00 C ATOM 870 CD1 LEU A 59 3.940 -7.170 4.447 1.00 0.00 C ATOM 871 CD2 LEU A 59 5.211 -9.291 4.785 1.00 0.00 C ATOM 0 H LEU A 59 7.488 -6.774 2.217 1.00 0.00 H new ATOM 0 HA LEU A 59 6.914 -9.582 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.270 -7.098 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.547 -8.693 2.235 1.00 0.00 H new ATOM 0 HG LEU A 59 6.064 -7.354 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.846 -7.068 5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.975 -6.181 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.082 -7.718 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.101 -9.168 5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.379 -9.881 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.149 -9.805 4.572 1.00 0.00 H new ATOM 883 N PRO A 60 5.855 -10.254 0.422 1.00 0.00 N ATOM 884 CA PRO A 60 5.556 -10.700 -0.942 1.00 0.00 C ATOM 885 C PRO A 60 4.951 -9.579 -1.784 1.00 0.00 C ATOM 886 O PRO A 60 3.925 -8.998 -1.423 1.00 0.00 O ATOM 887 CB PRO A 60 4.543 -11.828 -0.736 1.00 0.00 C ATOM 888 CG PRO A 60 4.842 -12.356 0.621 1.00 0.00 C ATOM 889 CD PRO A 60 5.300 -11.175 1.434 1.00 0.00 C ATOM 0 HA PRO A 60 6.450 -11.015 -1.480 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.520 -11.459 -0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.652 -12.602 -1.496 1.00 0.00 H new ATOM 0 HG2 PRO A 60 3.959 -12.816 1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.614 -13.124 0.579 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.474 -10.720 1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.051 -11.462 2.170 1.00 0.00 H new ATOM 897 N PHE A 61 5.592 -9.292 -2.905 1.00 0.00 N ATOM 898 CA PHE A 61 5.230 -8.158 -3.740 1.00 0.00 C ATOM 899 C PHE A 61 3.870 -8.371 -4.398 1.00 0.00 C ATOM 900 O PHE A 61 3.521 -9.488 -4.794 1.00 0.00 O ATOM 901 CB PHE A 61 6.305 -7.938 -4.803 1.00 0.00 C ATOM 902 CG PHE A 61 7.705 -8.050 -4.263 1.00 0.00 C ATOM 903 CD1 PHE A 61 8.190 -7.122 -3.355 1.00 0.00 C ATOM 904 CD2 PHE A 61 8.528 -9.096 -4.649 1.00 0.00 C ATOM 905 CE1 PHE A 61 9.470 -7.233 -2.848 1.00 0.00 C ATOM 906 CE2 PHE A 61 9.809 -9.211 -4.144 1.00 0.00 C ATOM 907 CZ PHE A 61 10.281 -8.279 -3.244 1.00 0.00 C ATOM 0 H PHE A 61 6.377 -9.837 -3.262 1.00 0.00 H new ATOM 0 HA PHE A 61 5.160 -7.272 -3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.171 -8.667 -5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.172 -6.951 -5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.560 -6.303 -3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.164 -9.830 -5.353 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.837 -6.502 -2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.440 -10.031 -4.454 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.283 -8.367 -2.850 1.00 0.00 H new ATOM 917 N MET A 62 3.102 -7.296 -4.497 1.00 0.00 N ATOM 918 CA MET A 62 1.779 -7.350 -5.107 1.00 0.00 C ATOM 919 C MET A 62 1.770 -6.622 -6.444 1.00 0.00 C ATOM 920 O MET A 62 2.126 -5.450 -6.518 1.00 0.00 O ATOM 921 CB MET A 62 0.727 -6.733 -4.180 1.00 0.00 C ATOM 922 CG MET A 62 0.420 -7.568 -2.948 1.00 0.00 C ATOM 923 SD MET A 62 -0.825 -6.806 -1.892 1.00 0.00 S ATOM 924 CE MET A 62 -0.015 -5.264 -1.461 1.00 0.00 C ATOM 0 H MET A 62 3.373 -6.371 -4.162 1.00 0.00 H new ATOM 0 HA MET A 62 1.534 -8.399 -5.273 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.071 -5.749 -3.862 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.194 -6.583 -4.743 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.075 -8.554 -3.258 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.336 -7.716 -2.376 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.495 -4.834 -0.582 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.036 -5.453 -1.244 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.093 -4.566 -2.295 1.00 0.00 H new ATOM 934 N ALA A 63 1.376 -7.314 -7.501 1.00 0.00 N ATOM 935 CA ALA A 63 1.285 -6.700 -8.818 1.00 0.00 C ATOM 936 C ALA A 63 -0.026 -5.933 -8.948 1.00 0.00 C ATOM 937 O ALA A 63 -1.069 -6.387 -8.471 1.00 0.00 O ATOM 938 CB ALA A 63 1.396 -7.759 -9.904 1.00 0.00 C ATOM 0 H ALA A 63 1.114 -8.299 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 63 2.111 -5.999 -8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.326 -7.285 -10.883 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.354 -8.271 -9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.587 -8.481 -9.792 1.00 0.00 H new ATOM 944 N TYR A 64 0.032 -4.769 -9.578 1.00 0.00 N ATOM 945 CA TYR A 64 -1.153 -3.938 -9.742 1.00 0.00 C ATOM 946 C TYR A 64 -1.272 -3.451 -11.180 1.00 0.00 C ATOM 947 O TYR A 64 -0.353 -3.623 -11.985 1.00 0.00 O ATOM 948 CB TYR A 64 -1.117 -2.735 -8.786 1.00 0.00 C ATOM 949 CG TYR A 64 -0.077 -1.687 -9.136 1.00 0.00 C ATOM 950 CD1 TYR A 64 1.227 -1.788 -8.672 1.00 0.00 C ATOM 951 CD2 TYR A 64 -0.403 -0.597 -9.935 1.00 0.00 C ATOM 952 CE1 TYR A 64 2.173 -0.833 -8.990 1.00 0.00 C ATOM 953 CE2 TYR A 64 0.538 0.360 -10.259 1.00 0.00 C ATOM 954 CZ TYR A 64 1.827 0.237 -9.785 1.00 0.00 C ATOM 955 OH TYR A 64 2.769 1.187 -10.105 1.00 0.00 O ATOM 0 H TYR A 64 0.883 -4.379 -9.983 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.024 -4.548 -9.501 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.100 -2.265 -8.776 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.926 -3.095 -7.775 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.507 -2.627 -8.052 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.411 -0.497 -10.309 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.182 -0.925 -8.616 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.266 1.200 -10.880 1.00 0.00 H new ATOM 0 HH TYR A 64 3.664 0.837 -9.914 1.00 0.00 H new ATOM 965 N LYS A 65 -2.409 -2.844 -11.487 1.00 0.00 N ATOM 966 CA LYS A 65 -2.644 -2.241 -12.789 1.00 0.00 C ATOM 967 C LYS A 65 -3.476 -0.975 -12.625 1.00 0.00 C ATOM 968 O LYS A 65 -4.352 -0.899 -11.764 1.00 0.00 O ATOM 969 CB LYS A 65 -3.341 -3.237 -13.723 1.00 0.00 C ATOM 970 CG LYS A 65 -4.711 -3.678 -13.235 1.00 0.00 C ATOM 971 CD LYS A 65 -5.101 -5.034 -13.807 1.00 0.00 C ATOM 972 CE LYS A 65 -5.281 -4.994 -15.318 1.00 0.00 C ATOM 973 NZ LYS A 65 -6.510 -4.260 -15.716 1.00 0.00 N ATOM 0 H LYS A 65 -3.193 -2.756 -10.841 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.687 -1.975 -13.238 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.445 -2.785 -14.709 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.707 -4.116 -13.841 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.711 -3.728 -12.146 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.456 -2.935 -13.520 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.335 -5.767 -13.554 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.028 -5.369 -13.342 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.412 -4.519 -15.774 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.327 -6.012 -15.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.629 -4.316 -16.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.336 -4.686 -15.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.427 -3.263 -15.430 1.00 0.00 H new ATOM 987 N VAL A 66 -3.168 0.018 -13.430 1.00 0.00 N ATOM 988 CA VAL A 66 -3.837 1.305 -13.368 1.00 0.00 C ATOM 989 C VAL A 66 -5.144 1.272 -14.152 1.00 0.00 C ATOM 990 O VAL A 66 -5.160 0.927 -15.336 1.00 0.00 O ATOM 991 CB VAL A 66 -2.925 2.419 -13.924 1.00 0.00 C ATOM 992 CG1 VAL A 66 -3.657 3.752 -13.997 1.00 0.00 C ATOM 993 CG2 VAL A 66 -1.663 2.547 -13.079 1.00 0.00 C ATOM 0 H VAL A 66 -2.446 -0.041 -14.148 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.059 1.517 -12.322 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.640 2.141 -14.939 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.986 4.514 -14.393 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.523 3.656 -14.651 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.986 4.041 -12.999 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.032 3.337 -13.485 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.936 2.792 -12.053 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.118 1.603 -13.094 1.00 0.00 H new ATOM 1003 N ILE A 67 -6.234 1.612 -13.484 1.00 0.00 N ATOM 1004 CA ILE A 67 -7.542 1.652 -14.122 1.00 0.00 C ATOM 1005 C ILE A 67 -7.744 3.002 -14.790 1.00 0.00 C ATOM 1006 O ILE A 67 -8.023 3.095 -15.988 1.00 0.00 O ATOM 1007 CB ILE A 67 -8.692 1.457 -13.113 1.00 0.00 C ATOM 1008 CG1 ILE A 67 -8.385 0.339 -12.112 1.00 0.00 C ATOM 1009 CG2 ILE A 67 -9.992 1.164 -13.850 1.00 0.00 C ATOM 1010 CD1 ILE A 67 -9.475 0.155 -11.079 1.00 0.00 C ATOM 0 H ILE A 67 -6.240 1.865 -12.496 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.564 0.838 -14.846 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.800 2.383 -12.549 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.243 -0.597 -12.653 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.446 0.560 -11.605 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.797 1.028 -13.128 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.233 1.998 -14.509 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.878 0.256 -14.442 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.199 -0.651 -10.399 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.601 1.079 -10.515 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.411 -0.096 -11.578 1.00 0.00 H new ATOM 1022 N SER A 68 -7.575 4.046 -13.993 1.00 0.00 N ATOM 1023 CA SER A 68 -7.843 5.401 -14.431 1.00 0.00 C ATOM 1024 C SER A 68 -6.768 6.339 -13.896 1.00 0.00 C ATOM 1025 O SER A 68 -6.034 5.994 -12.967 1.00 0.00 O ATOM 1026 CB SER A 68 -9.220 5.848 -13.928 1.00 0.00 C ATOM 1027 OG SER A 68 -10.194 4.830 -14.114 1.00 0.00 O ATOM 0 H SER A 68 -7.249 3.975 -13.029 1.00 0.00 H new ATOM 0 HA SER A 68 -7.834 5.432 -15.521 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.157 6.105 -12.871 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.528 6.750 -14.458 1.00 0.00 H new ATOM 0 HG SER A 68 -10.444 4.454 -13.244 1.00 0.00 H new ATOM 1033 N GLN A 69 -6.685 7.519 -14.477 1.00 0.00 N ATOM 1034 CA GLN A 69 -5.720 8.515 -14.051 1.00 0.00 C ATOM 1035 C GLN A 69 -6.326 9.903 -14.177 1.00 0.00 C ATOM 1036 O GLN A 69 -7.188 10.141 -15.024 1.00 0.00 O ATOM 1037 CB GLN A 69 -4.439 8.417 -14.890 1.00 0.00 C ATOM 1038 CG GLN A 69 -3.346 9.386 -14.461 1.00 0.00 C ATOM 1039 CD GLN A 69 -2.137 9.370 -15.378 1.00 0.00 C ATOM 1040 OE1 GLN A 69 -1.012 9.606 -14.939 1.00 0.00 O ATOM 1041 NE2 GLN A 69 -2.353 9.113 -16.660 1.00 0.00 N ATOM 0 H GLN A 69 -7.279 7.814 -15.252 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.461 8.331 -13.008 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.053 7.399 -14.829 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.686 8.602 -15.935 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.756 10.395 -14.430 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.028 9.139 -13.448 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.299 8.922 -16.989 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.573 9.107 -17.317 1.00 0.00 H new ATOM 1050 N SER A 70 -5.898 10.797 -13.309 1.00 0.00 N ATOM 1051 CA SER A 70 -6.327 12.176 -13.353 1.00 0.00 C ATOM 1052 C SER A 70 -5.112 13.086 -13.414 1.00 0.00 C ATOM 1053 O SER A 70 -4.264 13.057 -12.518 1.00 0.00 O ATOM 1054 CB SER A 70 -7.162 12.516 -12.119 1.00 0.00 C ATOM 1055 OG SER A 70 -7.610 13.860 -12.163 1.00 0.00 O ATOM 0 H SER A 70 -5.244 10.586 -12.555 1.00 0.00 H new ATOM 0 HA SER A 70 -6.940 12.324 -14.242 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.019 11.845 -12.059 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.569 12.356 -11.219 1.00 0.00 H new ATOM 0 HG SER A 70 -8.269 14.008 -11.453 1.00 0.00 H new ATOM 1061 N THR A 71 -5.030 13.890 -14.467 1.00 0.00 N ATOM 1062 CA THR A 71 -3.949 14.850 -14.610 1.00 0.00 C ATOM 1063 C THR A 71 -4.075 15.984 -13.597 1.00 0.00 C ATOM 1064 O THR A 71 -3.199 16.844 -13.493 1.00 0.00 O ATOM 1065 CB THR A 71 -3.906 15.414 -16.034 1.00 0.00 C ATOM 1066 OG1 THR A 71 -5.226 15.416 -16.596 1.00 0.00 O ATOM 1067 CG2 THR A 71 -2.966 14.594 -16.908 1.00 0.00 C ATOM 0 H THR A 71 -5.702 13.894 -15.234 1.00 0.00 H new ATOM 0 HA THR A 71 -3.015 14.323 -14.415 1.00 0.00 H new ATOM 0 HB THR A 71 -3.532 16.437 -15.993 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.194 15.779 -17.506 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.949 15.011 -17.915 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.961 14.622 -16.487 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.314 13.562 -16.948 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.183 15.987 -12.865 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.337 16.881 -11.726 1.00 0.00 C ATOM 1077 C ASP A 72 -4.337 16.490 -10.652 1.00 0.00 C ATOM 1078 O ASP A 72 -3.606 17.328 -10.124 1.00 0.00 O ATOM 1079 CB ASP A 72 -6.764 16.827 -11.173 1.00 0.00 C ATOM 1080 CG ASP A 72 -6.935 17.655 -9.911 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -7.084 18.889 -10.021 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -6.924 17.073 -8.807 1.00 0.00 O ATOM 0 H ASP A 72 -5.985 15.382 -13.040 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.148 17.905 -12.049 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.458 17.184 -11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.028 15.791 -10.962 1.00 0.00 H new ATOM 1087 N GLY A 73 -4.286 15.201 -10.355 1.00 0.00 N ATOM 1088 CA GLY A 73 -3.313 14.705 -9.404 1.00 0.00 C ATOM 1089 C GLY A 73 -3.832 13.544 -8.595 1.00 0.00 C ATOM 1090 O GLY A 73 -3.710 13.528 -7.369 1.00 0.00 O ATOM 0 H GLY A 73 -4.899 14.490 -10.754 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.413 14.398 -9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.025 15.512 -8.731 1.00 0.00 H new ATOM 1094 N SER A 74 -4.445 12.587 -9.271 1.00 0.00 N ATOM 1095 CA SER A 74 -4.908 11.376 -8.633 1.00 0.00 C ATOM 1096 C SER A 74 -4.812 10.202 -9.599 1.00 0.00 C ATOM 1097 O SER A 74 -4.890 10.379 -10.816 1.00 0.00 O ATOM 1098 CB SER A 74 -6.344 11.554 -8.169 1.00 0.00 C ATOM 1099 OG SER A 74 -6.452 12.619 -7.242 1.00 0.00 O ATOM 0 H SER A 74 -4.633 12.631 -10.273 1.00 0.00 H new ATOM 0 HA SER A 74 -4.278 11.169 -7.768 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.986 11.749 -9.028 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.698 10.631 -7.710 1.00 0.00 H new ATOM 0 HG SER A 74 -7.386 12.714 -6.960 1.00 0.00 H new ATOM 1105 N ILE A 75 -4.639 9.010 -9.050 1.00 0.00 N ATOM 1106 CA ILE A 75 -4.486 7.803 -9.851 1.00 0.00 C ATOM 1107 C ILE A 75 -5.335 6.674 -9.272 1.00 0.00 C ATOM 1108 O ILE A 75 -5.410 6.507 -8.056 1.00 0.00 O ATOM 1109 CB ILE A 75 -3.009 7.344 -9.928 1.00 0.00 C ATOM 1110 CG1 ILE A 75 -2.099 8.521 -10.313 1.00 0.00 C ATOM 1111 CG2 ILE A 75 -2.858 6.197 -10.924 1.00 0.00 C ATOM 1112 CD1 ILE A 75 -0.691 8.118 -10.687 1.00 0.00 C ATOM 0 H ILE A 75 -4.601 8.851 -8.043 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.822 8.041 -10.860 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.706 6.985 -8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.548 9.053 -11.152 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.055 9.220 -9.478 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.814 5.887 -10.966 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.474 5.356 -10.606 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.178 6.528 -11.912 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.115 9.006 -10.945 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.221 7.613 -9.843 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.721 7.444 -11.543 1.00 0.00 H new ATOM 1124 N GLU A 76 -5.986 5.919 -10.140 1.00 0.00 N ATOM 1125 CA GLU A 76 -6.807 4.798 -9.708 1.00 0.00 C ATOM 1126 C GLU A 76 -6.154 3.486 -10.120 1.00 0.00 C ATOM 1127 O GLU A 76 -5.826 3.282 -11.289 1.00 0.00 O ATOM 1128 CB GLU A 76 -8.200 4.908 -10.315 1.00 0.00 C ATOM 1129 CG GLU A 76 -9.172 3.851 -9.826 1.00 0.00 C ATOM 1130 CD GLU A 76 -10.579 4.081 -10.339 1.00 0.00 C ATOM 1131 OE1 GLU A 76 -10.831 3.835 -11.538 1.00 0.00 O ATOM 1132 OE2 GLU A 76 -11.441 4.509 -9.538 1.00 0.00 O ATOM 0 H GLU A 76 -5.963 6.061 -11.150 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.896 4.820 -8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.607 5.894 -10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.119 4.838 -11.400 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.827 2.868 -10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.182 3.846 -8.736 1.00 0.00 H new ATOM 1139 N ILE A 77 -5.974 2.602 -9.157 1.00 0.00 N ATOM 1140 CA ILE A 77 -5.258 1.354 -9.389 1.00 0.00 C ATOM 1141 C ILE A 77 -6.060 0.154 -8.906 1.00 0.00 C ATOM 1142 O ILE A 77 -6.940 0.277 -8.058 1.00 0.00 O ATOM 1143 CB ILE A 77 -3.874 1.343 -8.699 1.00 0.00 C ATOM 1144 CG1 ILE A 77 -4.028 1.533 -7.186 1.00 0.00 C ATOM 1145 CG2 ILE A 77 -2.968 2.411 -9.297 1.00 0.00 C ATOM 1146 CD1 ILE A 77 -2.729 1.388 -6.419 1.00 0.00 C ATOM 0 H ILE A 77 -6.313 2.722 -8.203 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.114 1.283 -10.467 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.407 0.373 -8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.445 2.521 -6.993 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.746 0.805 -6.808 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.999 2.387 -8.798 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.833 2.219 -10.361 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.423 3.392 -9.160 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.916 1.535 -5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.320 0.391 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.015 2.134 -6.769 1.00 0.00 H new ATOM 1158 N GLN A 78 -5.746 -1.003 -9.464 1.00 0.00 N ATOM 1159 CA GLN A 78 -6.402 -2.249 -9.106 1.00 0.00 C ATOM 1160 C GLN A 78 -5.355 -3.326 -8.863 1.00 0.00 C ATOM 1161 O GLN A 78 -4.319 -3.341 -9.527 1.00 0.00 O ATOM 1162 CB GLN A 78 -7.346 -2.670 -10.230 1.00 0.00 C ATOM 1163 CG GLN A 78 -8.174 -3.905 -9.934 1.00 0.00 C ATOM 1164 CD GLN A 78 -9.256 -4.120 -10.971 1.00 0.00 C ATOM 1165 OE1 GLN A 78 -9.036 -4.770 -11.991 1.00 0.00 O ATOM 1166 NE2 GLN A 78 -10.439 -3.588 -10.709 1.00 0.00 N ATOM 0 H GLN A 78 -5.027 -1.105 -10.180 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.981 -2.109 -8.193 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.020 -1.842 -10.449 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.759 -2.850 -11.130 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.524 -4.779 -9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.629 -3.809 -8.948 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.580 -3.055 -9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.210 -3.711 -11.365 1.00 0.00 H new ATOM 1175 N TYR A 79 -5.617 -4.211 -7.912 1.00 0.00 N ATOM 1176 CA TYR A 79 -4.674 -5.269 -7.579 1.00 0.00 C ATOM 1177 C TYR A 79 -4.984 -6.537 -8.367 1.00 0.00 C ATOM 1178 O TYR A 79 -6.106 -6.733 -8.840 1.00 0.00 O ATOM 1179 CB TYR A 79 -4.699 -5.559 -6.074 1.00 0.00 C ATOM 1180 CG TYR A 79 -4.354 -4.362 -5.217 1.00 0.00 C ATOM 1181 CD1 TYR A 79 -3.040 -3.922 -5.099 1.00 0.00 C ATOM 1182 CD2 TYR A 79 -5.341 -3.670 -4.525 1.00 0.00 C ATOM 1183 CE1 TYR A 79 -2.722 -2.829 -4.316 1.00 0.00 C ATOM 1184 CE2 TYR A 79 -5.029 -2.576 -3.743 1.00 0.00 C ATOM 1185 CZ TYR A 79 -3.719 -2.160 -3.642 1.00 0.00 C ATOM 1186 OH TYR A 79 -3.407 -1.074 -2.861 1.00 0.00 O ATOM 0 H TYR A 79 -6.473 -4.218 -7.358 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.674 -4.930 -7.851 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.691 -5.918 -5.799 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.997 -6.364 -5.857 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.256 -4.443 -5.628 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.369 -3.993 -4.600 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.696 -2.501 -4.233 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.808 -2.048 -3.213 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.225 -0.717 -2.456 1.00 0.00 H new ATOM 1196 N LEU A 80 -3.974 -7.380 -8.524 1.00 0.00 N ATOM 1197 CA LEU A 80 -4.123 -8.643 -9.234 1.00 0.00 C ATOM 1198 C LEU A 80 -3.984 -9.814 -8.270 1.00 0.00 C ATOM 1199 O LEU A 80 -3.829 -9.617 -7.063 1.00 0.00 O ATOM 1200 CB LEU A 80 -3.085 -8.740 -10.353 1.00 0.00 C ATOM 1201 CG LEU A 80 -3.310 -7.777 -11.519 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -2.092 -7.745 -12.430 1.00 0.00 C ATOM 1203 CD2 LEU A 80 -4.551 -8.187 -12.303 1.00 0.00 C ATOM 0 H LEU A 80 -3.034 -7.210 -8.166 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.118 -8.683 -9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.097 -8.553 -9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.080 -9.760 -10.738 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.462 -6.775 -11.119 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.272 -7.054 -13.254 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.222 -7.415 -11.863 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.909 -8.743 -12.827 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.703 -7.495 -13.131 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.418 -9.196 -12.693 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.421 -8.163 -11.646 1.00 0.00 H new ATOM 1215 N GLY A 81 -4.039 -11.033 -8.794 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.962 -12.196 -7.934 1.00 0.00 C ATOM 1217 C GLY A 81 -5.268 -12.425 -7.203 1.00 0.00 C ATOM 1218 O GLY A 81 -6.329 -12.062 -7.706 1.00 0.00 O ATOM 0 H GLY A 81 -4.135 -11.235 -9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.716 -13.076 -8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.156 -12.065 -7.212 1.00 0.00 H new ATOM 1222 N PRO A 82 -5.229 -13.037 -6.010 1.00 0.00 N ATOM 1223 CA PRO A 82 -6.422 -13.211 -5.172 1.00 0.00 C ATOM 1224 C PRO A 82 -7.004 -11.869 -4.708 1.00 0.00 C ATOM 1225 O PRO A 82 -8.060 -11.819 -4.078 1.00 0.00 O ATOM 1226 CB PRO A 82 -5.912 -14.017 -3.971 1.00 0.00 C ATOM 1227 CG PRO A 82 -4.437 -13.805 -3.956 1.00 0.00 C ATOM 1228 CD PRO A 82 -4.027 -13.616 -5.387 1.00 0.00 C ATOM 0 HA PRO A 82 -7.229 -13.704 -5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.369 -13.673 -3.043 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.157 -15.074 -4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.175 -12.932 -3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.925 -14.660 -3.514 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.168 -12.951 -5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.747 -14.561 -5.853 1.00 0.00 H new ATOM 1236 N TYR A 83 -6.303 -10.785 -5.028 1.00 0.00 N ATOM 1237 CA TYR A 83 -6.739 -9.440 -4.674 1.00 0.00 C ATOM 1238 C TYR A 83 -7.333 -8.749 -5.900 1.00 0.00 C ATOM 1239 O TYR A 83 -7.433 -7.522 -5.954 1.00 0.00 O ATOM 1240 CB TYR A 83 -5.553 -8.630 -4.139 1.00 0.00 C ATOM 1241 CG TYR A 83 -4.738 -9.362 -3.092 1.00 0.00 C ATOM 1242 CD1 TYR A 83 -5.144 -9.405 -1.762 1.00 0.00 C ATOM 1243 CD2 TYR A 83 -3.563 -10.020 -3.439 1.00 0.00 C ATOM 1244 CE1 TYR A 83 -4.401 -10.081 -0.811 1.00 0.00 C ATOM 1245 CE2 TYR A 83 -2.816 -10.696 -2.494 1.00 0.00 C ATOM 1246 CZ TYR A 83 -3.239 -10.726 -1.183 1.00 0.00 C ATOM 1247 OH TYR A 83 -2.498 -11.408 -0.241 1.00 0.00 O ATOM 0 H TYR A 83 -5.420 -10.815 -5.538 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.502 -9.505 -3.898 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.902 -8.362 -4.971 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.924 -7.698 -3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.054 -8.903 -1.467 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -3.229 -10.002 -4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -4.729 -10.104 0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.904 -11.199 -2.781 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.711 -11.806 -0.669 1.00 0.00 H new ATOM 1257 N TYR A 84 -7.736 -9.562 -6.874 1.00 0.00 N ATOM 1258 CA TYR A 84 -8.275 -9.082 -8.142 1.00 0.00 C ATOM 1259 C TYR A 84 -9.514 -8.203 -7.924 1.00 0.00 C ATOM 1260 O TYR A 84 -10.105 -8.236 -6.844 1.00 0.00 O ATOM 1261 CB TYR A 84 -8.555 -10.283 -9.065 1.00 0.00 C ATOM 1262 CG TYR A 84 -9.671 -11.210 -8.619 1.00 0.00 C ATOM 1263 CD1 TYR A 84 -9.506 -12.080 -7.549 1.00 0.00 C ATOM 1264 CD2 TYR A 84 -10.885 -11.235 -9.299 1.00 0.00 C ATOM 1265 CE1 TYR A 84 -10.516 -12.944 -7.169 1.00 0.00 C ATOM 1266 CE2 TYR A 84 -11.901 -12.090 -8.920 1.00 0.00 C ATOM 1267 CZ TYR A 84 -11.710 -12.945 -7.858 1.00 0.00 C ATOM 1268 OH TYR A 84 -12.716 -13.811 -7.493 1.00 0.00 O ATOM 0 H TYR A 84 -7.697 -10.579 -6.804 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.538 -8.445 -8.632 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.797 -9.905 -10.059 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.639 -10.866 -9.160 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.573 -12.082 -7.005 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.035 -10.573 -10.139 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.370 -13.615 -6.336 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -12.840 -12.088 -9.454 1.00 0.00 H new ATOM 0 HH TYR A 84 -13.489 -13.681 -8.081 1.00 0.00 H new ATOM 1278 N PRO A 85 -9.998 -7.538 -9.003 1.00 0.00 N ATOM 1279 CA PRO A 85 -10.749 -6.286 -9.043 1.00 0.00 C ATOM 1280 C PRO A 85 -10.925 -5.404 -7.784 1.00 0.00 C ATOM 1281 O PRO A 85 -11.574 -4.361 -7.872 1.00 0.00 O ATOM 1282 CB PRO A 85 -12.044 -6.787 -9.652 1.00 0.00 C ATOM 1283 CG PRO A 85 -11.558 -7.791 -10.677 1.00 0.00 C ATOM 1284 CD PRO A 85 -10.084 -8.050 -10.368 1.00 0.00 C ATOM 0 HA PRO A 85 -10.189 -5.524 -9.585 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -12.691 -7.249 -8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -12.614 -5.980 -10.113 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -12.134 -8.714 -10.619 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -11.680 -7.403 -11.688 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.828 -9.108 -10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.419 -7.521 -11.051 1.00 0.00 H new ATOM 1292 N LEU A 86 -10.390 -5.777 -6.638 1.00 0.00 N ATOM 1293 CA LEU A 86 -10.357 -4.870 -5.500 1.00 0.00 C ATOM 1294 C LEU A 86 -9.433 -3.698 -5.823 1.00 0.00 C ATOM 1295 O LEU A 86 -8.218 -3.866 -5.929 1.00 0.00 O ATOM 1296 CB LEU A 86 -9.875 -5.602 -4.242 1.00 0.00 C ATOM 1297 CG LEU A 86 -9.720 -4.731 -2.992 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -11.057 -4.132 -2.584 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -9.126 -5.542 -1.850 1.00 0.00 C ATOM 0 H LEU A 86 -9.975 -6.693 -6.467 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.363 -4.497 -5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.577 -6.406 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.914 -6.069 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.038 -3.913 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.924 -3.517 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.443 -3.516 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.764 -4.933 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.022 -4.908 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.783 -6.380 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.146 -5.919 -2.143 1.00 0.00 H new ATOM 1311 N LYS A 87 -10.007 -2.519 -6.012 1.00 0.00 N ATOM 1312 CA LYS A 87 -9.220 -1.371 -6.436 1.00 0.00 C ATOM 1313 C LYS A 87 -8.918 -0.429 -5.275 1.00 0.00 C ATOM 1314 O LYS A 87 -9.514 -0.527 -4.201 1.00 0.00 O ATOM 1315 CB LYS A 87 -9.921 -0.611 -7.567 1.00 0.00 C ATOM 1316 CG LYS A 87 -11.218 0.070 -7.161 1.00 0.00 C ATOM 1317 CD LYS A 87 -11.731 0.970 -8.274 1.00 0.00 C ATOM 1318 CE LYS A 87 -12.950 1.765 -7.838 1.00 0.00 C ATOM 1319 NZ LYS A 87 -13.345 2.774 -8.856 1.00 0.00 N ATOM 0 H LYS A 87 -11.001 -2.333 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.271 -1.756 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.238 0.142 -7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.130 -1.307 -8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.969 -0.683 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.057 0.658 -6.258 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.941 1.655 -8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.984 0.364 -9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.782 1.085 -7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.738 2.266 -6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.246 3.213 -8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.609 3.506 -8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.457 2.310 -9.780 1.00 0.00 H new ATOM 1333 N SER A 88 -7.989 0.484 -5.513 1.00 0.00 N ATOM 1334 CA SER A 88 -7.566 1.451 -4.515 1.00 0.00 C ATOM 1335 C SER A 88 -7.351 2.811 -5.180 1.00 0.00 C ATOM 1336 O SER A 88 -7.113 2.887 -6.389 1.00 0.00 O ATOM 1337 CB SER A 88 -6.280 0.955 -3.835 1.00 0.00 C ATOM 1338 OG SER A 88 -5.759 1.899 -2.921 1.00 0.00 O ATOM 0 H SER A 88 -7.506 0.574 -6.407 1.00 0.00 H new ATOM 0 HA SER A 88 -8.336 1.562 -3.752 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.485 0.021 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.530 0.737 -4.596 1.00 0.00 H new ATOM 0 HG SER A 88 -6.491 2.438 -2.555 1.00 0.00 H new ATOM 1344 N THR A 89 -7.443 3.877 -4.399 1.00 0.00 N ATOM 1345 CA THR A 89 -7.310 5.220 -4.933 1.00 0.00 C ATOM 1346 C THR A 89 -6.038 5.888 -4.416 1.00 0.00 C ATOM 1347 O THR A 89 -5.665 5.733 -3.252 1.00 0.00 O ATOM 1348 CB THR A 89 -8.512 6.095 -4.541 1.00 0.00 C ATOM 1349 OG1 THR A 89 -9.710 5.306 -4.494 1.00 0.00 O ATOM 1350 CG2 THR A 89 -8.699 7.235 -5.530 1.00 0.00 C ATOM 0 H THR A 89 -7.609 3.836 -3.393 1.00 0.00 H new ATOM 0 HA THR A 89 -7.264 5.128 -6.018 1.00 0.00 H new ATOM 0 HB THR A 89 -8.313 6.513 -3.554 1.00 0.00 H new ATOM 0 HG1 THR A 89 -10.467 5.875 -4.242 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.555 7.839 -5.231 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.803 7.856 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.873 6.828 -6.526 1.00 0.00 H new ATOM 1358 N LEU A 90 -5.387 6.634 -5.288 1.00 0.00 N ATOM 1359 CA LEU A 90 -4.176 7.365 -4.938 1.00 0.00 C ATOM 1360 C LEU A 90 -4.376 8.851 -5.202 1.00 0.00 C ATOM 1361 O LEU A 90 -4.768 9.243 -6.299 1.00 0.00 O ATOM 1362 CB LEU A 90 -2.975 6.855 -5.746 1.00 0.00 C ATOM 1363 CG LEU A 90 -2.570 5.403 -5.486 1.00 0.00 C ATOM 1364 CD1 LEU A 90 -1.428 5.003 -6.407 1.00 0.00 C ATOM 1365 CD2 LEU A 90 -2.173 5.213 -4.029 1.00 0.00 C ATOM 0 H LEU A 90 -5.679 6.753 -6.258 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.973 7.205 -3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.200 6.966 -6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.119 7.495 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.425 4.760 -5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.149 3.967 -6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.745 5.104 -7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.570 5.650 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.888 4.174 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.330 5.863 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.016 5.466 -3.386 1.00 0.00 H new ATOM 1377 N LYS A 91 -4.120 9.672 -4.199 1.00 0.00 N ATOM 1378 CA LYS A 91 -4.259 11.113 -4.335 1.00 0.00 C ATOM 1379 C LYS A 91 -2.967 11.802 -3.955 1.00 0.00 C ATOM 1380 O LYS A 91 -2.165 11.266 -3.191 1.00 0.00 O ATOM 1381 CB LYS A 91 -5.393 11.639 -3.458 1.00 0.00 C ATOM 1382 CG LYS A 91 -6.761 11.168 -3.895 1.00 0.00 C ATOM 1383 CD LYS A 91 -7.811 11.478 -2.842 1.00 0.00 C ATOM 1384 CE LYS A 91 -9.181 10.961 -3.246 1.00 0.00 C ATOM 1385 NZ LYS A 91 -10.192 11.175 -2.177 1.00 0.00 N ATOM 0 H LYS A 91 -3.813 9.364 -3.276 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.494 11.330 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.221 11.325 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.373 12.729 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.031 11.650 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.736 10.095 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.518 11.029 -1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.861 12.555 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.504 11.464 -4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.115 9.897 -3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.040 10.609 -2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.795 10.884 -1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.449 12.182 -2.139 1.00 0.00 H new ATOM 1399 N ARG A 92 -2.765 12.989 -4.492 1.00 0.00 N ATOM 1400 CA ARG A 92 -1.585 13.771 -4.177 1.00 0.00 C ATOM 1401 C ARG A 92 -1.761 14.463 -2.832 1.00 0.00 C ATOM 1402 O ARG A 92 -2.867 14.871 -2.479 1.00 0.00 O ATOM 1403 CB ARG A 92 -1.325 14.807 -5.273 1.00 0.00 C ATOM 1404 CG ARG A 92 -2.339 15.937 -5.301 1.00 0.00 C ATOM 1405 CD ARG A 92 -2.095 16.870 -6.475 1.00 0.00 C ATOM 1406 NE ARG A 92 -3.005 18.018 -6.490 1.00 0.00 N ATOM 1407 CZ ARG A 92 -4.246 17.987 -6.983 1.00 0.00 C ATOM 1408 NH1 ARG A 92 -4.790 16.835 -7.352 1.00 0.00 N ATOM 1409 NH2 ARG A 92 -4.958 19.101 -7.088 1.00 0.00 N ATOM 0 H ARG A 92 -3.404 13.434 -5.150 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.727 13.102 -4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.329 15.228 -5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.326 14.306 -6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.345 15.524 -5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.285 16.500 -4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.066 17.229 -6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.206 16.312 -7.405 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.669 18.898 -6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.260 15.968 -7.260 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.738 16.816 -7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.559 19.991 -6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.905 19.067 -7.466 1.00 0.00 H new ATOM 1423 N GLY A 93 -0.681 14.578 -2.077 1.00 0.00 N ATOM 1424 CA GLY A 93 -0.731 15.295 -0.834 1.00 0.00 C ATOM 1425 C GLY A 93 -0.156 16.680 -0.982 1.00 0.00 C ATOM 1426 O GLY A 93 0.361 17.039 -2.043 1.00 0.00 O ATOM 0 H GLY A 93 0.231 14.184 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.763 15.361 -0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.176 14.747 -0.072 1.00 0.00 H new ATOM 1430 N GLU A 94 -0.234 17.452 0.077 1.00 0.00 N ATOM 1431 CA GLU A 94 0.232 18.820 0.059 1.00 0.00 C ATOM 1432 C GLU A 94 1.753 18.881 0.150 1.00 0.00 C ATOM 1433 O GLU A 94 2.364 18.172 0.956 1.00 0.00 O ATOM 1434 CB GLU A 94 -0.411 19.603 1.202 1.00 0.00 C ATOM 1435 CG GLU A 94 -0.311 18.919 2.556 1.00 0.00 C ATOM 1436 CD GLU A 94 -1.023 19.695 3.643 1.00 0.00 C ATOM 1437 OE1 GLU A 94 -2.266 19.597 3.732 1.00 0.00 O ATOM 1438 OE2 GLU A 94 -0.347 20.411 4.410 1.00 0.00 O ATOM 0 H GLU A 94 -0.620 17.152 0.972 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.061 19.274 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.060 20.584 1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.462 19.769 0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.737 17.918 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.739 18.801 2.825 1.00 0.00 H new ATOM 1445 N ASN A 95 2.342 19.716 -0.706 1.00 0.00 N ATOM 1446 CA ASN A 95 3.790 19.959 -0.743 1.00 0.00 C ATOM 1447 C ASN A 95 4.549 18.758 -1.308 1.00 0.00 C ATOM 1448 O ASN A 95 5.144 18.841 -2.380 1.00 0.00 O ATOM 1449 CB ASN A 95 4.346 20.334 0.641 1.00 0.00 C ATOM 1450 CG ASN A 95 3.623 21.518 1.265 1.00 0.00 C ATOM 1451 OD1 ASN A 95 3.877 22.670 0.916 1.00 0.00 O ATOM 1452 ND2 ASN A 95 2.734 21.241 2.210 1.00 0.00 N ATOM 0 H ASN A 95 1.824 20.251 -1.403 1.00 0.00 H new ATOM 0 HA ASN A 95 3.944 20.808 -1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.265 19.474 1.305 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.407 20.568 0.550 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.233 21.997 2.676 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.552 20.272 2.471 1.00 0.00 H new ATOM 1459 N GLY A 96 4.526 17.646 -0.589 1.00 0.00 N ATOM 1460 CA GLY A 96 5.242 16.464 -1.028 1.00 0.00 C ATOM 1461 C GLY A 96 4.850 15.229 -0.250 1.00 0.00 C ATOM 1462 O GLY A 96 5.690 14.602 0.396 1.00 0.00 O ATOM 0 H GLY A 96 4.024 17.540 0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.049 16.299 -2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.314 16.632 -0.922 1.00 0.00 H new ATOM 1466 N THR A 97 3.574 14.883 -0.305 1.00 0.00 N ATOM 1467 CA THR A 97 3.062 13.706 0.378 1.00 0.00 C ATOM 1468 C THR A 97 2.138 12.912 -0.541 1.00 0.00 C ATOM 1469 O THR A 97 1.787 13.379 -1.628 1.00 0.00 O ATOM 1470 CB THR A 97 2.311 14.086 1.671 1.00 0.00 C ATOM 1471 OG1 THR A 97 1.497 15.242 1.442 1.00 0.00 O ATOM 1472 CG2 THR A 97 3.282 14.361 2.808 1.00 0.00 C ATOM 0 H THR A 97 2.867 15.407 -0.821 1.00 0.00 H new ATOM 0 HA THR A 97 3.917 13.087 0.648 1.00 0.00 H new ATOM 0 HB THR A 97 1.679 13.245 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.068 16.035 1.372 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.725 14.626 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.878 13.469 3.001 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.940 15.185 2.533 1.00 0.00 H new ATOM 1480 N LEU A 98 1.761 11.710 -0.119 1.00 0.00 N ATOM 1481 CA LEU A 98 0.880 10.865 -0.919 1.00 0.00 C ATOM 1482 C LEU A 98 -0.289 10.360 -0.078 1.00 0.00 C ATOM 1483 O LEU A 98 -0.107 9.937 1.067 1.00 0.00 O ATOM 1484 CB LEU A 98 1.657 9.681 -1.507 1.00 0.00 C ATOM 1485 CG LEU A 98 0.874 8.802 -2.488 1.00 0.00 C ATOM 1486 CD1 LEU A 98 0.514 9.587 -3.741 1.00 0.00 C ATOM 1487 CD2 LEU A 98 1.676 7.561 -2.851 1.00 0.00 C ATOM 0 H LEU A 98 2.050 11.299 0.769 1.00 0.00 H new ATOM 0 HA LEU A 98 0.486 11.465 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.541 10.065 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.009 9.056 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.049 8.487 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.042 8.946 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.100 10.445 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.426 9.933 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.104 6.949 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.616 7.858 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.884 6.985 -1.949 1.00 0.00 H new ATOM 1499 N ILE A 99 -1.485 10.420 -0.647 1.00 0.00 N ATOM 1500 CA ILE A 99 -2.680 9.932 0.020 1.00 0.00 C ATOM 1501 C ILE A 99 -3.122 8.610 -0.600 1.00 0.00 C ATOM 1502 O ILE A 99 -3.301 8.512 -1.816 1.00 0.00 O ATOM 1503 CB ILE A 99 -3.830 10.956 -0.074 1.00 0.00 C ATOM 1504 CG1 ILE A 99 -3.418 12.281 0.577 1.00 0.00 C ATOM 1505 CG2 ILE A 99 -5.092 10.401 0.575 1.00 0.00 C ATOM 1506 CD1 ILE A 99 -4.453 13.374 0.451 1.00 0.00 C ATOM 0 H ILE A 99 -1.652 10.805 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.438 9.781 1.072 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.045 11.145 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.214 12.107 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.487 12.622 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.893 11.136 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.391 9.485 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.896 10.184 1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.087 14.279 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.640 13.578 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.379 13.055 0.929 1.00 0.00 H new ATOM 1518 N TRP A 100 -3.287 7.600 0.236 1.00 0.00 N ATOM 1519 CA TRP A 100 -3.652 6.271 -0.226 1.00 0.00 C ATOM 1520 C TRP A 100 -5.009 5.873 0.344 1.00 0.00 C ATOM 1521 O TRP A 100 -5.170 5.751 1.554 1.00 0.00 O ATOM 1522 CB TRP A 100 -2.564 5.277 0.198 1.00 0.00 C ATOM 1523 CG TRP A 100 -2.807 3.856 -0.217 1.00 0.00 C ATOM 1524 CD1 TRP A 100 -3.541 3.417 -1.280 1.00 0.00 C ATOM 1525 CD2 TRP A 100 -2.288 2.683 0.423 1.00 0.00 C ATOM 1526 NE1 TRP A 100 -3.520 2.048 -1.333 1.00 0.00 N ATOM 1527 CE2 TRP A 100 -2.757 1.572 -0.302 1.00 0.00 C ATOM 1528 CE3 TRP A 100 -1.476 2.464 1.541 1.00 0.00 C ATOM 1529 CZ2 TRP A 100 -2.439 0.264 0.055 1.00 0.00 C ATOM 1530 CZ3 TRP A 100 -1.160 1.167 1.891 1.00 0.00 C ATOM 1531 CH2 TRP A 100 -1.641 0.080 1.150 1.00 0.00 C ATOM 0 H TRP A 100 -3.173 7.676 1.247 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.731 6.265 -1.313 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -1.612 5.604 -0.220 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -2.465 5.311 1.283 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.062 4.055 -1.978 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.997 1.475 -2.030 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -1.103 3.296 2.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -2.810 -0.576 -0.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.531 0.987 2.751 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -1.376 -0.923 1.449 1.00 0.00 H new ATOM 1542 N GLU A 101 -5.989 5.694 -0.523 1.00 0.00 N ATOM 1543 CA GLU A 101 -7.321 5.311 -0.083 1.00 0.00 C ATOM 1544 C GLU A 101 -7.657 3.898 -0.504 1.00 0.00 C ATOM 1545 O GLU A 101 -7.435 3.500 -1.646 1.00 0.00 O ATOM 1546 CB GLU A 101 -8.375 6.266 -0.620 1.00 0.00 C ATOM 1547 CG GLU A 101 -8.598 7.476 0.266 1.00 0.00 C ATOM 1548 CD GLU A 101 -9.614 8.441 -0.305 1.00 0.00 C ATOM 1549 OE1 GLU A 101 -10.608 7.985 -0.908 1.00 0.00 O ATOM 1550 OE2 GLU A 101 -9.430 9.667 -0.143 1.00 0.00 O ATOM 0 H GLU A 101 -5.890 5.807 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.322 5.361 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.078 6.602 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.317 5.729 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.931 7.144 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.651 7.996 0.409 1.00 0.00 H new ATOM 1557 N GLN A 102 -8.210 3.158 0.427 1.00 0.00 N ATOM 1558 CA GLN A 102 -8.583 1.776 0.187 1.00 0.00 C ATOM 1559 C GLN A 102 -9.787 1.407 1.043 1.00 0.00 C ATOM 1560 O GLN A 102 -9.758 1.556 2.266 1.00 0.00 O ATOM 1561 CB GLN A 102 -7.393 0.845 0.473 1.00 0.00 C ATOM 1562 CG GLN A 102 -7.592 -0.592 -0.001 1.00 0.00 C ATOM 1563 CD GLN A 102 -7.988 -1.543 1.116 1.00 0.00 C ATOM 1564 OE1 GLN A 102 -8.639 -1.158 2.083 1.00 0.00 O ATOM 1565 NE2 GLN A 102 -7.593 -2.800 0.990 1.00 0.00 N ATOM 0 H GLN A 102 -8.415 3.490 1.369 1.00 0.00 H new ATOM 0 HA GLN A 102 -8.858 1.656 -0.861 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.504 1.254 -0.007 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.202 0.838 1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -8.361 -0.609 -0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.670 -0.947 -0.461 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.053 -3.086 0.173 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -7.828 -3.483 1.710 1.00 0.00 H new ATOM 1574 N ASN A 103 -10.861 0.990 0.376 1.00 0.00 N ATOM 1575 CA ASN A 103 -12.083 0.514 1.031 1.00 0.00 C ATOM 1576 C ASN A 103 -12.768 1.628 1.825 1.00 0.00 C ATOM 1577 O ASN A 103 -13.711 1.376 2.575 1.00 0.00 O ATOM 1578 CB ASN A 103 -11.780 -0.670 1.954 1.00 0.00 C ATOM 1579 CG ASN A 103 -12.771 -1.806 1.794 1.00 0.00 C ATOM 1580 OD1 ASN A 103 -13.828 -1.826 2.426 1.00 0.00 O ATOM 1581 ND2 ASN A 103 -12.427 -2.772 0.951 1.00 0.00 N ATOM 0 H ASN A 103 -10.911 0.972 -0.643 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.763 0.188 0.244 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.775 -1.038 1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.788 -0.329 2.989 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -13.048 -3.569 0.808 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.542 -2.718 0.447 1.00 0.00 H new ATOM 1588 N GLY A 104 -12.300 2.858 1.650 1.00 0.00 N ATOM 1589 CA GLY A 104 -12.892 3.979 2.350 1.00 0.00 C ATOM 1590 C GLY A 104 -11.972 4.564 3.401 1.00 0.00 C ATOM 1591 O GLY A 104 -12.271 5.611 3.980 1.00 0.00 O ATOM 0 H GLY A 104 -11.522 3.098 1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.154 4.754 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.820 3.657 2.823 1.00 0.00 H new ATOM 1595 N GLN A 105 -10.854 3.894 3.653 1.00 0.00 N ATOM 1596 CA GLN A 105 -9.894 4.375 4.636 1.00 0.00 C ATOM 1597 C GLN A 105 -8.846 5.247 3.962 1.00 0.00 C ATOM 1598 O GLN A 105 -8.327 4.899 2.900 1.00 0.00 O ATOM 1599 CB GLN A 105 -9.214 3.194 5.331 1.00 0.00 C ATOM 1600 CG GLN A 105 -10.191 2.208 5.943 1.00 0.00 C ATOM 1601 CD GLN A 105 -9.498 1.093 6.703 1.00 0.00 C ATOM 1602 OE1 GLN A 105 -8.385 0.683 6.364 1.00 0.00 O ATOM 1603 NE2 GLN A 105 -10.150 0.604 7.745 1.00 0.00 N ATOM 0 H GLN A 105 -10.592 3.022 3.193 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.425 4.968 5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.586 2.671 4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.555 3.573 6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.863 2.739 6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.807 1.776 5.154 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.069 0.972 7.990 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -9.734 -0.141 8.303 1.00 0.00 H new ATOM 1612 N ARG A 106 -8.548 6.382 4.574 1.00 0.00 N ATOM 1613 CA ARG A 106 -7.584 7.313 4.010 1.00 0.00 C ATOM 1614 C ARG A 106 -6.238 7.208 4.715 1.00 0.00 C ATOM 1615 O ARG A 106 -6.122 7.485 5.911 1.00 0.00 O ATOM 1616 CB ARG A 106 -8.126 8.738 4.085 1.00 0.00 C ATOM 1617 CG ARG A 106 -7.244 9.773 3.408 1.00 0.00 C ATOM 1618 CD ARG A 106 -8.011 11.057 3.155 1.00 0.00 C ATOM 1619 NE ARG A 106 -9.154 10.832 2.274 1.00 0.00 N ATOM 1620 CZ ARG A 106 -10.393 11.237 2.536 1.00 0.00 C ATOM 1621 NH1 ARG A 106 -10.644 11.963 3.623 1.00 0.00 N ATOM 1622 NH2 ARG A 106 -11.369 10.932 1.694 1.00 0.00 N ATOM 0 H ARG A 106 -8.958 6.680 5.459 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.428 7.052 2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.115 8.764 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.252 9.013 5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.375 9.981 4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.870 9.376 2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.356 11.469 4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.347 11.797 2.709 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.991 10.331 1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.885 12.210 4.258 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.596 12.272 3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.167 10.391 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.323 11.238 1.886 1.00 0.00 H new ATOM 1636 N LYS A 107 -5.231 6.798 3.966 1.00 0.00 N ATOM 1637 CA LYS A 107 -3.870 6.718 4.468 1.00 0.00 C ATOM 1638 C LYS A 107 -3.076 7.940 4.050 1.00 0.00 C ATOM 1639 O LYS A 107 -3.215 8.437 2.930 1.00 0.00 O ATOM 1640 CB LYS A 107 -3.181 5.452 3.957 1.00 0.00 C ATOM 1641 CG LYS A 107 -3.679 4.163 4.596 1.00 0.00 C ATOM 1642 CD LYS A 107 -3.205 4.024 6.028 1.00 0.00 C ATOM 1643 CE LYS A 107 -4.130 4.725 6.998 1.00 0.00 C ATOM 1644 NZ LYS A 107 -3.371 5.464 8.041 1.00 0.00 N ATOM 0 H LYS A 107 -5.333 6.511 2.993 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.913 6.680 5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.322 5.386 2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.109 5.540 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.768 4.142 4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.330 3.310 4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.139 2.967 6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.201 4.438 6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.771 5.418 6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.783 3.993 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.896 5.436 8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.439 5.021 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.246 6.453 7.744 1.00 0.00 H new ATOM 1658 N THR A 108 -2.269 8.436 4.963 1.00 0.00 N ATOM 1659 CA THR A 108 -1.447 9.600 4.697 1.00 0.00 C ATOM 1660 C THR A 108 0.022 9.254 4.902 1.00 0.00 C ATOM 1661 O THR A 108 0.466 9.015 6.025 1.00 0.00 O ATOM 1662 CB THR A 108 -1.858 10.781 5.597 1.00 0.00 C ATOM 1663 OG1 THR A 108 -3.267 11.016 5.446 1.00 0.00 O ATOM 1664 CG2 THR A 108 -1.093 12.044 5.233 1.00 0.00 C ATOM 0 H THR A 108 -2.163 8.050 5.901 1.00 0.00 H new ATOM 0 HA THR A 108 -1.597 9.903 3.661 1.00 0.00 H new ATOM 0 HB THR A 108 -1.623 10.528 6.631 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.537 11.765 6.017 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.405 12.859 5.886 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.024 11.870 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.301 12.309 4.196 1.00 0.00 H new ATOM 1672 N MET A 109 0.775 9.246 3.818 1.00 0.00 N ATOM 1673 CA MET A 109 2.153 8.797 3.866 1.00 0.00 C ATOM 1674 C MET A 109 3.107 9.923 3.511 1.00 0.00 C ATOM 1675 O MET A 109 2.827 10.737 2.624 1.00 0.00 O ATOM 1676 CB MET A 109 2.351 7.622 2.915 1.00 0.00 C ATOM 1677 CG MET A 109 1.482 6.424 3.251 1.00 0.00 C ATOM 1678 SD MET A 109 1.595 5.113 2.020 1.00 0.00 S ATOM 1679 CE MET A 109 1.056 5.977 0.550 1.00 0.00 C ATOM 0 H MET A 109 0.457 9.544 2.896 1.00 0.00 H new ATOM 0 HA MET A 109 2.372 8.476 4.884 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.133 7.946 1.898 1.00 0.00 H new ATOM 0 HB3 MET A 109 3.398 7.320 2.935 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.776 6.029 4.224 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.444 6.746 3.338 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.766 5.253 -0.212 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.203 6.610 0.793 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.871 6.595 0.172 1.00 0.00 H new ATOM 1689 N THR A 110 4.228 9.967 4.210 1.00 0.00 N ATOM 1690 CA THR A 110 5.253 10.960 3.948 1.00 0.00 C ATOM 1691 C THR A 110 6.347 10.347 3.085 1.00 0.00 C ATOM 1692 O THR A 110 6.583 9.139 3.137 1.00 0.00 O ATOM 1693 CB THR A 110 5.872 11.473 5.258 1.00 0.00 C ATOM 1694 OG1 THR A 110 4.867 11.503 6.281 1.00 0.00 O ATOM 1695 CG2 THR A 110 6.452 12.869 5.083 1.00 0.00 C ATOM 0 H THR A 110 4.451 9.322 4.968 1.00 0.00 H new ATOM 0 HA THR A 110 4.791 11.799 3.429 1.00 0.00 H new ATOM 0 HB THR A 110 6.679 10.798 5.542 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.261 11.828 7.117 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.883 13.205 6.026 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.228 12.847 4.317 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.662 13.556 4.780 1.00 0.00 H new ATOM 1703 N ARG A 111 7.015 11.170 2.299 1.00 0.00 N ATOM 1704 CA ARG A 111 8.050 10.675 1.405 1.00 0.00 C ATOM 1705 C ARG A 111 9.361 10.534 2.155 1.00 0.00 C ATOM 1706 O ARG A 111 9.816 11.473 2.811 1.00 0.00 O ATOM 1707 CB ARG A 111 8.240 11.606 0.208 1.00 0.00 C ATOM 1708 CG ARG A 111 9.160 11.031 -0.861 1.00 0.00 C ATOM 1709 CD ARG A 111 9.460 12.039 -1.956 1.00 0.00 C ATOM 1710 NE ARG A 111 10.190 13.200 -1.445 1.00 0.00 N ATOM 1711 CZ ARG A 111 11.513 13.347 -1.533 1.00 0.00 C ATOM 1712 NH1 ARG A 111 12.254 12.394 -2.091 1.00 0.00 N ATOM 1713 NH2 ARG A 111 12.091 14.446 -1.066 1.00 0.00 N ATOM 0 H ARG A 111 6.863 12.178 2.259 1.00 0.00 H new ATOM 0 HA ARG A 111 7.735 9.700 1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.268 11.819 -0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.647 12.555 0.556 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.093 10.708 -0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.698 10.146 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.045 11.559 -2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.526 12.369 -2.411 1.00 0.00 H new ATOM 0 HE ARG A 111 9.655 13.942 -0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.811 11.549 -2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 111 13.265 12.508 -2.158 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.524 15.179 -0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.103 14.558 -1.133 1.00 0.00 H new ATOM 1727 N ILE A 112 9.957 9.359 2.071 1.00 0.00 N ATOM 1728 CA ILE A 112 11.236 9.127 2.705 1.00 0.00 C ATOM 1729 C ILE A 112 12.369 9.568 1.798 1.00 0.00 C ATOM 1730 O ILE A 112 12.300 9.441 0.574 1.00 0.00 O ATOM 1731 CB ILE A 112 11.434 7.642 3.055 1.00 0.00 C ATOM 1732 CG1 ILE A 112 10.256 7.144 3.885 1.00 0.00 C ATOM 1733 CG2 ILE A 112 12.747 7.422 3.805 1.00 0.00 C ATOM 1734 CD1 ILE A 112 10.172 7.783 5.255 1.00 0.00 C ATOM 0 H ILE A 112 9.576 8.555 1.572 1.00 0.00 H new ATOM 0 HA ILE A 112 11.246 9.712 3.625 1.00 0.00 H new ATOM 0 HB ILE A 112 11.482 7.073 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.331 7.341 3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.334 6.063 4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.859 6.363 4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.581 7.747 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.739 7.999 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.311 7.383 5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.082 7.565 5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.063 8.862 5.147 1.00 0.00 H new ATOM 1746 N GLU A 113 13.400 10.081 2.423 1.00 0.00 N ATOM 1747 CA GLU A 113 14.619 10.461 1.744 1.00 0.00 C ATOM 1748 C GLU A 113 15.780 9.872 2.510 1.00 0.00 C ATOM 1749 O GLU A 113 16.067 10.274 3.639 1.00 0.00 O ATOM 1750 CB GLU A 113 14.748 11.976 1.645 1.00 0.00 C ATOM 1751 CG GLU A 113 16.026 12.441 0.966 1.00 0.00 C ATOM 1752 CD GLU A 113 16.039 13.932 0.721 1.00 0.00 C ATOM 1753 OE1 GLU A 113 16.342 14.694 1.663 1.00 0.00 O ATOM 1754 OE2 GLU A 113 15.732 14.353 -0.417 1.00 0.00 O ATOM 0 H GLU A 113 13.419 10.249 3.429 1.00 0.00 H new ATOM 0 HA GLU A 113 14.607 10.079 0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.892 12.369 1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 113 14.705 12.401 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 113 16.882 12.170 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 113 16.140 11.919 0.016 1.00 0.00 H new