USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 632 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 25 GLN : amide:sc= -0.0213 X(o=-3.4,f=-3.4) USER MOD Set 1.2: A 77 GLN : amide:sc= -3.37! C(o=-3.4!,f=-9.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 36:sc= -2.78! USER MOD Single : A 24 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.25) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -55:sc= 0.00196 USER MOD Single : A 36 SER OG : rot 180:sc= 0.133 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 46 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.3) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00208 USER MOD Single : A 49 GLN : amide:sc=-0.00118 X(o=-0.0012,f=-0.0029) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 150:sc= -0.436 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0141 K(o=-0.014,f=-0.59) USER MOD Single : A 76 MET CE :methyl 169:sc= -7.16! (180deg=-7.26!) USER MOD Single : A 78 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.61) USER MOD Single : A 81 ASN : amide:sc= -0.944 K(o=-0.94,f=-2.5!) USER MOD Single : A 91 TYR OH : rot 71:sc= 0.243! USER MOD Single : A 92 GLN : amide:sc= -1.01 K(o=-1,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 212 N VAL A 18 -8.162 2.307 -7.189 1.00 0.00 N ATOM 213 CA VAL A 18 -7.809 1.665 -5.934 1.00 0.00 C ATOM 214 C VAL A 18 -8.552 0.332 -5.822 1.00 0.00 C ATOM 215 O VAL A 18 -9.718 0.233 -6.201 1.00 0.00 O ATOM 216 CB VAL A 18 -8.096 2.609 -4.765 1.00 0.00 C ATOM 217 CG1 VAL A 18 -8.088 1.853 -3.435 1.00 0.00 C ATOM 218 CG2 VAL A 18 -7.101 3.771 -4.741 1.00 0.00 C ATOM 0 HA VAL A 18 -6.742 1.446 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.093 3.025 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.295 2.547 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.853 1.077 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.111 1.395 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.328 4.427 -3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.089 3.381 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.177 4.334 -5.671 1.00 0.00 H new ATOM 228 N SER A 19 -7.845 -0.660 -5.301 1.00 0.00 N ATOM 229 CA SER A 19 -8.423 -1.983 -5.135 1.00 0.00 C ATOM 230 C SER A 19 -9.042 -2.113 -3.742 1.00 0.00 C ATOM 231 O SER A 19 -8.604 -1.453 -2.800 1.00 0.00 O ATOM 232 CB SER A 19 -7.372 -3.074 -5.352 1.00 0.00 C ATOM 233 OG SER A 19 -7.622 -3.828 -6.536 1.00 0.00 O ATOM 0 H SER A 19 -6.878 -0.574 -4.988 1.00 0.00 H new ATOM 0 HA SER A 19 -9.203 -2.112 -5.886 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.384 -2.618 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.361 -3.743 -4.492 1.00 0.00 H new ATOM 0 HG SER A 19 -6.929 -4.513 -6.640 1.00 0.00 H new ATOM 239 N PRO A 20 -10.077 -2.990 -3.652 1.00 0.00 N ATOM 240 CA PRO A 20 -10.760 -3.214 -2.389 1.00 0.00 C ATOM 241 C PRO A 20 -9.908 -4.070 -1.449 1.00 0.00 C ATOM 242 O PRO A 20 -10.125 -4.071 -0.238 1.00 0.00 O ATOM 243 CB PRO A 20 -12.075 -3.876 -2.766 1.00 0.00 C ATOM 244 CG PRO A 20 -11.881 -4.419 -4.173 1.00 0.00 C ATOM 245 CD PRO A 20 -10.622 -3.789 -4.745 1.00 0.00 C ATOM 0 HA PRO A 20 -10.937 -2.291 -1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.323 -4.677 -2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.896 -3.160 -2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.790 -5.505 -4.154 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.743 -4.182 -4.796 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.912 -4.549 -5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.848 -3.170 -5.613 1.00 0.00 H new ATOM 253 N ASP A 21 -8.957 -4.776 -2.042 1.00 0.00 N ATOM 254 CA ASP A 21 -8.072 -5.633 -1.273 1.00 0.00 C ATOM 255 C ASP A 21 -6.787 -4.870 -0.944 1.00 0.00 C ATOM 256 O ASP A 21 -5.831 -5.448 -0.432 1.00 0.00 O ATOM 257 CB ASP A 21 -7.688 -6.884 -2.067 1.00 0.00 C ATOM 258 CG ASP A 21 -8.827 -7.513 -2.872 1.00 0.00 C ATOM 259 OD1 ASP A 21 -9.088 -7.000 -3.982 1.00 0.00 O ATOM 260 OD2 ASP A 21 -9.411 -8.492 -2.360 1.00 0.00 O ATOM 0 H ASP A 21 -8.780 -4.772 -3.047 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.597 -5.929 -0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.878 -6.628 -2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.297 -7.630 -1.375 1.00 0.00 H new ATOM 265 N ILE A 22 -6.808 -3.581 -1.253 1.00 0.00 N ATOM 266 CA ILE A 22 -5.657 -2.732 -0.997 1.00 0.00 C ATOM 267 C ILE A 22 -5.058 -3.089 0.365 1.00 0.00 C ATOM 268 O ILE A 22 -3.838 -3.096 0.528 1.00 0.00 O ATOM 269 CB ILE A 22 -6.038 -1.257 -1.133 1.00 0.00 C ATOM 270 CG1 ILE A 22 -4.877 -0.350 -0.722 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.314 -0.946 -0.348 1.00 0.00 C ATOM 272 CD1 ILE A 22 -4.033 0.044 -1.937 1.00 0.00 C ATOM 0 H ILE A 22 -7.604 -3.105 -1.678 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.882 -2.907 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.248 -1.054 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.265 0.546 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.252 -0.862 0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.563 0.109 -0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.133 -1.555 -0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.156 -1.170 0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.214 0.689 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.627 -0.853 -2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.656 0.577 -2.655 1.00 0.00 H new ATOM 284 N TYR A 23 -5.943 -3.378 1.307 1.00 0.00 N ATOM 285 CA TYR A 23 -5.517 -3.735 2.650 1.00 0.00 C ATOM 286 C TYR A 23 -4.698 -5.027 2.639 1.00 0.00 C ATOM 287 O TYR A 23 -3.532 -5.031 3.032 1.00 0.00 O ATOM 288 CB TYR A 23 -6.799 -3.964 3.452 1.00 0.00 C ATOM 289 CG TYR A 23 -7.863 -2.885 3.246 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.739 -1.663 3.876 1.00 0.00 C ATOM 291 CD2 TYR A 23 -8.948 -3.133 2.430 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.741 -0.647 3.681 1.00 0.00 C ATOM 293 CE2 TYR A 23 -9.950 -2.117 2.235 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.797 -0.924 2.871 1.00 0.00 C ATOM 295 OH TYR A 23 -10.743 0.035 2.687 1.00 0.00 O ATOM 0 H TYR A 23 -6.953 -3.372 1.167 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.892 -2.950 3.076 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.219 -4.931 3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.548 -4.015 4.512 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.890 -1.469 4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.046 -4.089 1.938 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.655 0.313 4.167 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.803 -2.298 1.598 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.316 0.917 2.667 1.00 0.00 H new ATOM 305 N GLN A 24 -5.340 -6.094 2.186 1.00 0.00 N ATOM 306 CA GLN A 24 -4.686 -7.389 2.119 1.00 0.00 C ATOM 307 C GLN A 24 -3.391 -7.289 1.312 1.00 0.00 C ATOM 308 O GLN A 24 -2.427 -8.003 1.585 1.00 0.00 O ATOM 309 CB GLN A 24 -5.621 -8.446 1.526 1.00 0.00 C ATOM 310 CG GLN A 24 -5.155 -9.857 1.890 1.00 0.00 C ATOM 311 CD GLN A 24 -5.342 -10.128 3.384 1.00 0.00 C ATOM 312 OE1 GLN A 24 -6.440 -10.346 3.869 1.00 0.00 O ATOM 313 NE2 GLN A 24 -4.211 -10.103 4.084 1.00 0.00 N ATOM 0 H GLN A 24 -6.307 -6.088 1.862 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.436 -7.700 3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.635 -8.288 1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.655 -8.339 0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.717 -10.590 1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.105 -9.977 1.624 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.325 -9.914 3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.230 -10.273 5.090 1.00 0.00 H new ATOM 322 N GLN A 25 -3.409 -6.397 0.332 1.00 0.00 N ATOM 323 CA GLN A 25 -2.247 -6.193 -0.517 1.00 0.00 C ATOM 324 C GLN A 25 -1.061 -5.700 0.315 1.00 0.00 C ATOM 325 O GLN A 25 0.015 -6.295 0.282 1.00 0.00 O ATOM 326 CB GLN A 25 -2.562 -5.219 -1.653 1.00 0.00 C ATOM 327 CG GLN A 25 -3.422 -5.889 -2.727 1.00 0.00 C ATOM 328 CD GLN A 25 -3.149 -5.283 -4.105 1.00 0.00 C ATOM 329 OE1 GLN A 25 -2.251 -5.689 -4.824 1.00 0.00 O ATOM 330 NE2 GLN A 25 -3.972 -4.290 -4.431 1.00 0.00 N ATOM 0 H GLN A 25 -4.210 -5.807 0.107 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.978 -7.149 -0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.083 -4.348 -1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.634 -4.860 -2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.215 -6.959 -2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.477 -5.774 -2.478 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.703 -4.000 -3.782 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.872 -3.819 -5.330 1.00 0.00 H new ATOM 339 N VAL A 26 -1.298 -4.618 1.041 1.00 0.00 N ATOM 340 CA VAL A 26 -0.263 -4.038 1.880 1.00 0.00 C ATOM 341 C VAL A 26 0.305 -5.118 2.802 1.00 0.00 C ATOM 342 O VAL A 26 1.498 -5.416 2.754 1.00 0.00 O ATOM 343 CB VAL A 26 -0.821 -2.834 2.643 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.164 -2.359 3.712 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.182 -1.697 1.685 1.00 0.00 C ATOM 0 H VAL A 26 -2.192 -4.127 1.066 1.00 0.00 H new ATOM 0 HA VAL A 26 0.560 -3.666 1.269 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.735 -3.150 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.256 -1.503 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.349 -3.166 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.102 -2.069 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.576 -0.854 2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.291 -1.383 1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.936 -2.043 0.978 1.00 0.00 H new ATOM 355 N ARG A 27 -0.575 -5.677 3.620 1.00 0.00 N ATOM 356 CA ARG A 27 -0.176 -6.718 4.551 1.00 0.00 C ATOM 357 C ARG A 27 0.723 -7.739 3.851 1.00 0.00 C ATOM 358 O ARG A 27 1.792 -8.080 4.356 1.00 0.00 O ATOM 359 CB ARG A 27 -1.396 -7.436 5.131 1.00 0.00 C ATOM 360 CG ARG A 27 -2.268 -6.471 5.938 1.00 0.00 C ATOM 361 CD ARG A 27 -3.748 -6.841 5.821 1.00 0.00 C ATOM 362 NE ARG A 27 -4.354 -6.934 7.168 1.00 0.00 N ATOM 363 CZ ARG A 27 -5.660 -7.136 7.391 1.00 0.00 C ATOM 364 NH1 ARG A 27 -6.504 -7.267 6.359 1.00 0.00 N ATOM 365 NH2 ARG A 27 -6.121 -7.207 8.647 1.00 0.00 N ATOM 0 H ARG A 27 -1.563 -5.428 3.657 1.00 0.00 H new ATOM 0 HA ARG A 27 0.372 -6.243 5.365 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.983 -7.873 4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.070 -8.257 5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.966 -6.491 6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.115 -5.452 5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.273 -6.092 5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.854 -7.792 5.299 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.740 -6.838 7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.153 -7.213 5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.498 -7.421 6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.478 -7.107 9.433 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.115 -7.361 8.818 1.00 0.00 H new ATOM 379 N ASP A 28 0.257 -8.200 2.700 1.00 0.00 N ATOM 380 CA ASP A 28 1.006 -9.176 1.926 1.00 0.00 C ATOM 381 C ASP A 28 2.323 -8.550 1.463 1.00 0.00 C ATOM 382 O ASP A 28 3.379 -9.174 1.561 1.00 0.00 O ATOM 383 CB ASP A 28 0.226 -9.609 0.683 1.00 0.00 C ATOM 384 CG ASP A 28 0.022 -11.118 0.541 1.00 0.00 C ATOM 385 OD1 ASP A 28 0.901 -11.858 1.034 1.00 0.00 O ATOM 386 OD2 ASP A 28 -1.007 -11.498 -0.057 1.00 0.00 O ATOM 0 H ASP A 28 -0.630 -7.916 2.284 1.00 0.00 H new ATOM 0 HA ASP A 28 1.185 -10.044 2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.751 -9.125 0.699 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.748 -9.243 -0.201 1.00 0.00 H new ATOM 391 N GLU A 29 2.219 -7.326 0.968 1.00 0.00 N ATOM 392 CA GLU A 29 3.389 -6.609 0.490 1.00 0.00 C ATOM 393 C GLU A 29 4.475 -6.586 1.568 1.00 0.00 C ATOM 394 O GLU A 29 5.631 -6.905 1.297 1.00 0.00 O ATOM 395 CB GLU A 29 3.022 -5.191 0.051 1.00 0.00 C ATOM 396 CG GLU A 29 3.977 -4.688 -1.033 1.00 0.00 C ATOM 397 CD GLU A 29 3.735 -5.415 -2.357 1.00 0.00 C ATOM 398 OE1 GLU A 29 2.764 -5.032 -3.046 1.00 0.00 O ATOM 399 OE2 GLU A 29 4.526 -6.337 -2.651 1.00 0.00 O ATOM 0 H GLU A 29 1.342 -6.812 0.887 1.00 0.00 H new ATOM 0 HA GLU A 29 3.781 -7.133 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.999 -5.176 -0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.055 -4.521 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.842 -3.616 -1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.008 -4.840 -0.714 1.00 0.00 H new ATOM 406 N LEU A 30 4.063 -6.206 2.769 1.00 0.00 N ATOM 407 CA LEU A 30 4.986 -6.137 3.889 1.00 0.00 C ATOM 408 C LEU A 30 5.612 -7.515 4.114 1.00 0.00 C ATOM 409 O LEU A 30 6.830 -7.634 4.241 1.00 0.00 O ATOM 410 CB LEU A 30 4.286 -5.571 5.126 1.00 0.00 C ATOM 411 CG LEU A 30 3.524 -4.260 4.924 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.530 -4.022 6.063 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.489 -3.086 4.752 1.00 0.00 C ATOM 0 H LEU A 30 3.103 -5.943 2.991 1.00 0.00 H new ATOM 0 HA LEU A 30 5.801 -5.448 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.588 -6.320 5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.034 -5.417 5.904 1.00 0.00 H new ATOM 0 HG LEU A 30 2.946 -4.340 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.002 -3.084 5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.812 -4.842 6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.067 -3.971 7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.921 -2.166 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.112 -2.994 5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.122 -3.260 3.882 1.00 0.00 H new ATOM 425 N LYS A 31 4.752 -8.522 4.156 1.00 0.00 N ATOM 426 CA LYS A 31 5.205 -9.886 4.363 1.00 0.00 C ATOM 427 C LYS A 31 6.048 -10.326 3.164 1.00 0.00 C ATOM 428 O LYS A 31 6.702 -11.367 3.210 1.00 0.00 O ATOM 429 CB LYS A 31 4.018 -10.808 4.651 1.00 0.00 C ATOM 430 CG LYS A 31 4.494 -12.198 5.078 1.00 0.00 C ATOM 431 CD LYS A 31 4.123 -13.250 4.032 1.00 0.00 C ATOM 432 CE LYS A 31 3.014 -14.169 4.548 1.00 0.00 C ATOM 433 NZ LYS A 31 3.457 -15.581 4.520 1.00 0.00 N ATOM 0 H LYS A 31 3.743 -8.420 4.050 1.00 0.00 H new ATOM 0 HA LYS A 31 5.845 -9.945 5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.399 -10.375 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.393 -10.891 3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.574 -12.188 5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.047 -12.460 6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.796 -12.758 3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.002 -13.842 3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.743 -13.887 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.120 -14.050 3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.693 -16.192 4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.693 -15.851 3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.297 -15.693 5.123 1.00 0.00 H new ATOM 447 N ARG A 32 6.006 -9.511 2.121 1.00 0.00 N ATOM 448 CA ARG A 32 6.758 -9.804 0.912 1.00 0.00 C ATOM 449 C ARG A 32 8.150 -9.173 0.987 1.00 0.00 C ATOM 450 O ARG A 32 9.156 -9.856 0.803 1.00 0.00 O ATOM 451 CB ARG A 32 6.033 -9.277 -0.328 1.00 0.00 C ATOM 452 CG ARG A 32 6.004 -10.332 -1.435 1.00 0.00 C ATOM 453 CD ARG A 32 6.099 -9.681 -2.817 1.00 0.00 C ATOM 454 NE ARG A 32 5.971 -10.711 -3.872 1.00 0.00 N ATOM 455 CZ ARG A 32 4.802 -11.214 -4.292 1.00 0.00 C ATOM 456 NH1 ARG A 32 3.654 -10.786 -3.749 1.00 0.00 N ATOM 457 NH2 ARG A 32 4.781 -12.146 -5.255 1.00 0.00 N ATOM 0 H ARG A 32 5.463 -8.648 2.087 1.00 0.00 H new ATOM 0 HA ARG A 32 6.850 -10.887 0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.014 -8.993 -0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.531 -8.378 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.831 -11.029 -1.300 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.084 -10.912 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.314 -8.933 -2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.052 -9.161 -2.918 1.00 0.00 H new ATOM 0 HE ARG A 32 6.825 -11.060 -4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.670 -10.077 -3.016 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.764 -11.169 -4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.655 -12.472 -5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.891 -12.529 -5.575 1.00 0.00 H new ATOM 471 N ALA A 33 8.163 -7.876 1.259 1.00 0.00 N ATOM 472 CA ALA A 33 9.415 -7.145 1.361 1.00 0.00 C ATOM 473 C ALA A 33 9.960 -7.274 2.785 1.00 0.00 C ATOM 474 O ALA A 33 11.057 -6.799 3.078 1.00 0.00 O ATOM 475 CB ALA A 33 9.191 -5.688 0.952 1.00 0.00 C ATOM 0 H ALA A 33 7.327 -7.313 1.412 1.00 0.00 H new ATOM 0 HA ALA A 33 10.160 -7.562 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.130 -5.140 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.832 -5.650 -0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.451 -5.234 1.612 1.00 0.00 H new ATOM 481 N SER A 34 9.171 -7.917 3.631 1.00 0.00 N ATOM 482 CA SER A 34 9.561 -8.114 5.017 1.00 0.00 C ATOM 483 C SER A 34 9.888 -6.767 5.665 1.00 0.00 C ATOM 484 O SER A 34 10.832 -6.663 6.447 1.00 0.00 O ATOM 485 CB SER A 34 10.759 -9.059 5.123 1.00 0.00 C ATOM 486 OG SER A 34 10.856 -9.655 6.414 1.00 0.00 O ATOM 0 H SER A 34 8.262 -8.309 3.384 1.00 0.00 H new ATOM 0 HA SER A 34 8.725 -8.571 5.546 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.672 -9.841 4.368 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.675 -8.509 4.908 1.00 0.00 H new ATOM 0 HG SER A 34 10.884 -8.953 7.097 1.00 0.00 H new ATOM 492 N VAL A 35 9.090 -5.769 5.315 1.00 0.00 N ATOM 493 CA VAL A 35 9.284 -4.433 5.852 1.00 0.00 C ATOM 494 C VAL A 35 8.198 -4.143 6.891 1.00 0.00 C ATOM 495 O VAL A 35 7.187 -4.841 6.948 1.00 0.00 O ATOM 496 CB VAL A 35 9.310 -3.410 4.715 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.240 -4.103 3.353 1.00 0.00 C ATOM 498 CG2 VAL A 35 8.182 -2.388 4.870 1.00 0.00 C ATOM 0 H VAL A 35 8.308 -5.859 4.666 1.00 0.00 H new ATOM 0 HA VAL A 35 10.247 -4.362 6.358 1.00 0.00 H new ATOM 0 HB VAL A 35 10.257 -2.873 4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.260 -3.353 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.093 -4.772 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.317 -4.678 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.224 -1.673 4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.221 -2.902 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.297 -1.860 5.817 1.00 0.00 H new ATOM 508 N SER A 36 8.445 -3.113 7.687 1.00 0.00 N ATOM 509 CA SER A 36 7.502 -2.723 8.721 1.00 0.00 C ATOM 510 C SER A 36 6.425 -1.812 8.129 1.00 0.00 C ATOM 511 O SER A 36 6.613 -1.237 7.058 1.00 0.00 O ATOM 512 CB SER A 36 8.213 -2.022 9.880 1.00 0.00 C ATOM 513 OG SER A 36 8.671 -0.722 9.517 1.00 0.00 O ATOM 0 H SER A 36 9.285 -2.537 7.637 1.00 0.00 H new ATOM 0 HA SER A 36 7.031 -3.625 9.113 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.533 -1.943 10.728 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.059 -2.627 10.205 1.00 0.00 H new ATOM 0 HG SER A 36 9.118 -0.307 10.284 1.00 0.00 H new ATOM 519 N GLN A 37 5.320 -1.708 8.853 1.00 0.00 N ATOM 520 CA GLN A 37 4.213 -0.876 8.413 1.00 0.00 C ATOM 521 C GLN A 37 4.667 0.577 8.264 1.00 0.00 C ATOM 522 O GLN A 37 4.133 1.317 7.440 1.00 0.00 O ATOM 523 CB GLN A 37 3.029 -0.985 9.377 1.00 0.00 C ATOM 524 CG GLN A 37 2.105 -2.138 8.982 1.00 0.00 C ATOM 525 CD GLN A 37 1.054 -2.394 10.064 1.00 0.00 C ATOM 526 OE1 GLN A 37 0.708 -1.525 10.848 1.00 0.00 O ATOM 527 NE2 GLN A 37 0.567 -3.631 10.064 1.00 0.00 N ATOM 0 H GLN A 37 5.168 -2.186 9.741 1.00 0.00 H new ATOM 0 HA GLN A 37 3.880 -1.233 7.438 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.395 -1.139 10.392 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.469 -0.050 9.378 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.611 -1.906 8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.693 -3.041 8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.900 -4.310 9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.140 -3.901 10.748 1.00 0.00 H new ATOM 536 N ALA A 38 5.649 0.943 9.075 1.00 0.00 N ATOM 537 CA ALA A 38 6.181 2.294 9.044 1.00 0.00 C ATOM 538 C ALA A 38 6.991 2.489 7.761 1.00 0.00 C ATOM 539 O ALA A 38 6.647 3.324 6.926 1.00 0.00 O ATOM 540 CB ALA A 38 7.014 2.544 10.303 1.00 0.00 C ATOM 0 H ALA A 38 6.090 0.327 9.758 1.00 0.00 H new ATOM 0 HA ALA A 38 5.372 3.025 9.038 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.413 3.558 10.280 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.386 2.422 11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.837 1.831 10.342 1.00 0.00 H new ATOM 546 N VAL A 39 8.053 1.704 7.644 1.00 0.00 N ATOM 547 CA VAL A 39 8.914 1.780 6.477 1.00 0.00 C ATOM 548 C VAL A 39 8.052 1.883 5.217 1.00 0.00 C ATOM 549 O VAL A 39 8.262 2.766 4.387 1.00 0.00 O ATOM 550 CB VAL A 39 9.868 0.584 6.452 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.540 0.447 5.084 1.00 0.00 C ATOM 552 CG2 VAL A 39 10.911 0.691 7.566 1.00 0.00 C ATOM 0 H VAL A 39 8.336 1.013 8.339 1.00 0.00 H new ATOM 0 HA VAL A 39 9.536 2.674 6.519 1.00 0.00 H new ATOM 0 HB VAL A 39 9.280 -0.317 6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.213 -0.411 5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.779 0.303 4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.108 1.351 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.576 -0.171 7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.492 1.604 7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.409 0.717 8.533 1.00 0.00 H new ATOM 562 N PHE A 40 7.100 0.968 5.114 1.00 0.00 N ATOM 563 CA PHE A 40 6.205 0.944 3.970 1.00 0.00 C ATOM 564 C PHE A 40 5.364 2.221 3.905 1.00 0.00 C ATOM 565 O PHE A 40 5.488 3.003 2.964 1.00 0.00 O ATOM 566 CB PHE A 40 5.274 -0.256 4.154 1.00 0.00 C ATOM 567 CG PHE A 40 4.232 -0.412 3.045 1.00 0.00 C ATOM 568 CD1 PHE A 40 3.086 0.319 3.080 1.00 0.00 C ATOM 569 CD2 PHE A 40 4.452 -1.282 2.022 1.00 0.00 C ATOM 570 CE1 PHE A 40 2.119 0.174 2.051 1.00 0.00 C ATOM 571 CE2 PHE A 40 3.485 -1.427 0.993 1.00 0.00 C ATOM 572 CZ PHE A 40 2.339 -0.695 1.029 1.00 0.00 C ATOM 0 H PHE A 40 6.929 0.237 5.805 1.00 0.00 H new ATOM 0 HA PHE A 40 6.782 0.873 3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.875 -1.164 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.760 -0.160 5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.911 1.010 3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.362 -1.862 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.208 0.754 2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.659 -2.118 0.182 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.604 -0.804 0.245 1.00 0.00 H new ATOM 582 N ALA A 41 4.527 2.392 4.918 1.00 0.00 N ATOM 583 CA ALA A 41 3.665 3.560 4.988 1.00 0.00 C ATOM 584 C ALA A 41 4.475 4.807 4.629 1.00 0.00 C ATOM 585 O ALA A 41 3.930 5.775 4.100 1.00 0.00 O ATOM 586 CB ALA A 41 3.041 3.651 6.382 1.00 0.00 C ATOM 0 H ALA A 41 4.427 1.741 5.697 1.00 0.00 H new ATOM 0 HA ALA A 41 2.849 3.479 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.394 4.527 6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.453 2.754 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.830 3.737 7.129 1.00 0.00 H new ATOM 592 N ARG A 42 5.764 4.745 4.932 1.00 0.00 N ATOM 593 CA ARG A 42 6.654 5.857 4.648 1.00 0.00 C ATOM 594 C ARG A 42 6.955 5.927 3.149 1.00 0.00 C ATOM 595 O ARG A 42 6.981 7.011 2.567 1.00 0.00 O ATOM 596 CB ARG A 42 7.968 5.722 5.419 1.00 0.00 C ATOM 597 CG ARG A 42 8.846 6.960 5.228 1.00 0.00 C ATOM 598 CD ARG A 42 8.076 8.237 5.572 1.00 0.00 C ATOM 599 NE ARG A 42 8.923 9.133 6.391 1.00 0.00 N ATOM 600 CZ ARG A 42 9.923 9.877 5.901 1.00 0.00 C ATOM 601 NH1 ARG A 42 10.209 9.837 4.592 1.00 0.00 N ATOM 602 NH2 ARG A 42 10.638 10.662 6.719 1.00 0.00 N ATOM 0 H ARG A 42 6.213 3.941 5.372 1.00 0.00 H new ATOM 0 HA ARG A 42 6.153 6.772 4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.759 5.580 6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.504 4.836 5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.731 6.883 5.860 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.194 7.008 4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.772 8.746 4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.165 7.987 6.115 1.00 0.00 H new ATOM 0 HE ARG A 42 8.733 9.187 7.392 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.665 9.240 3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.971 10.404 4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.421 10.693 7.715 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.400 11.228 6.345 1.00 0.00 H new ATOM 616 N VAL A 43 7.174 4.757 2.567 1.00 0.00 N ATOM 617 CA VAL A 43 7.473 4.672 1.148 1.00 0.00 C ATOM 618 C VAL A 43 6.181 4.395 0.375 1.00 0.00 C ATOM 619 O VAL A 43 6.215 4.138 -0.827 1.00 0.00 O ATOM 620 CB VAL A 43 8.553 3.617 0.902 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.763 3.850 1.810 1.00 0.00 C ATOM 622 CG2 VAL A 43 7.994 2.205 1.087 1.00 0.00 C ATOM 0 H VAL A 43 7.150 3.860 3.052 1.00 0.00 H new ATOM 0 HA VAL A 43 7.874 5.619 0.785 1.00 0.00 H new ATOM 0 HB VAL A 43 8.885 3.713 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.516 3.087 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.184 4.835 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.451 3.795 2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.783 1.475 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.621 2.092 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.179 2.041 0.382 1.00 0.00 H new ATOM 632 N ALA A 44 5.072 4.457 1.098 1.00 0.00 N ATOM 633 CA ALA A 44 3.772 4.216 0.496 1.00 0.00 C ATOM 634 C ALA A 44 3.067 5.554 0.264 1.00 0.00 C ATOM 635 O ALA A 44 2.695 5.876 -0.864 1.00 0.00 O ATOM 636 CB ALA A 44 2.961 3.277 1.391 1.00 0.00 C ATOM 0 H ALA A 44 5.047 4.671 2.095 1.00 0.00 H new ATOM 0 HA ALA A 44 3.882 3.729 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.986 3.096 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.491 2.331 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.828 3.734 2.372 1.00 0.00 H new ATOM 642 N PHE A 45 2.903 6.297 1.349 1.00 0.00 N ATOM 643 CA PHE A 45 2.249 7.592 1.278 1.00 0.00 C ATOM 644 C PHE A 45 2.817 8.552 2.325 1.00 0.00 C ATOM 645 O PHE A 45 2.141 9.490 2.744 1.00 0.00 O ATOM 646 CB PHE A 45 0.765 7.360 1.567 1.00 0.00 C ATOM 647 CG PHE A 45 0.496 6.258 2.594 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.711 4.956 2.266 1.00 0.00 C ATOM 649 CD2 PHE A 45 0.042 6.581 3.835 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.461 3.933 3.219 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.207 5.558 4.788 1.00 0.00 C ATOM 652 CZ PHE A 45 0.008 4.256 4.460 1.00 0.00 C ATOM 0 H PHE A 45 3.212 6.026 2.283 1.00 0.00 H new ATOM 0 HA PHE A 45 2.407 8.035 0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.325 8.291 1.925 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.259 7.106 0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.072 4.700 1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.129 7.615 4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.631 2.899 2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.567 5.814 5.773 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.181 3.478 5.185 1.00 0.00 H new ATOM 662 N ASN A 46 4.054 8.283 2.718 1.00 0.00 N ATOM 663 CA ASN A 46 4.721 9.111 3.708 1.00 0.00 C ATOM 664 C ASN A 46 3.857 9.186 4.969 1.00 0.00 C ATOM 665 O ASN A 46 3.365 10.255 5.327 1.00 0.00 O ATOM 666 CB ASN A 46 4.923 10.536 3.189 1.00 0.00 C ATOM 667 CG ASN A 46 5.924 11.300 4.059 1.00 0.00 C ATOM 668 OD1 ASN A 46 7.103 10.991 4.109 1.00 0.00 O ATOM 669 ND2 ASN A 46 5.390 12.310 4.738 1.00 0.00 N ATOM 0 H ASN A 46 4.611 7.503 2.369 1.00 0.00 H new ATOM 0 HA ASN A 46 5.692 8.664 3.922 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.280 10.505 2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.968 11.062 3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.976 12.881 5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.395 12.514 4.650 1.00 0.00 H new ATOM 676 N ARG A 47 3.699 8.036 5.609 1.00 0.00 N ATOM 677 CA ARG A 47 2.904 7.957 6.822 1.00 0.00 C ATOM 678 C ARG A 47 3.629 7.122 7.879 1.00 0.00 C ATOM 679 O ARG A 47 4.730 6.629 7.638 1.00 0.00 O ATOM 680 CB ARG A 47 1.534 7.336 6.543 1.00 0.00 C ATOM 681 CG ARG A 47 0.460 8.416 6.402 1.00 0.00 C ATOM 682 CD ARG A 47 0.204 9.112 7.740 1.00 0.00 C ATOM 683 NE ARG A 47 -0.792 10.193 7.566 1.00 0.00 N ATOM 684 CZ ARG A 47 -1.153 11.046 8.534 1.00 0.00 C ATOM 685 NH1 ARG A 47 -0.601 10.949 9.752 1.00 0.00 N ATOM 686 NH2 ARG A 47 -2.065 11.996 8.286 1.00 0.00 N ATOM 0 H ARG A 47 4.109 7.151 5.310 1.00 0.00 H new ATOM 0 HA ARG A 47 2.762 8.973 7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.579 6.742 5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.267 6.657 7.353 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.773 9.150 5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.465 7.969 6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.156 8.389 8.472 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.135 9.524 8.129 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.231 10.295 6.651 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.093 10.226 9.941 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.875 11.598 10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.485 12.070 7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.339 12.645 9.024 1.00 0.00 H new ATOM 700 N THR A 48 2.983 6.989 9.028 1.00 0.00 N ATOM 701 CA THR A 48 3.553 6.223 10.123 1.00 0.00 C ATOM 702 C THR A 48 2.912 4.835 10.192 1.00 0.00 C ATOM 703 O THR A 48 2.368 4.349 9.203 1.00 0.00 O ATOM 704 CB THR A 48 3.383 7.035 11.408 1.00 0.00 C ATOM 705 OG1 THR A 48 1.972 7.181 11.543 1.00 0.00 O ATOM 706 CG2 THR A 48 3.894 8.471 11.265 1.00 0.00 C ATOM 0 H THR A 48 2.070 7.399 9.224 1.00 0.00 H new ATOM 0 HA THR A 48 4.618 6.048 9.971 1.00 0.00 H new ATOM 0 HB THR A 48 3.912 6.540 12.222 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.772 7.695 12.353 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.750 9.004 12.205 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.955 8.456 11.015 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.342 8.977 10.473 1.00 0.00 H new ATOM 714 N GLN A 49 2.999 4.237 11.371 1.00 0.00 N ATOM 715 CA GLN A 49 2.435 2.915 11.583 1.00 0.00 C ATOM 716 C GLN A 49 1.091 3.021 12.307 1.00 0.00 C ATOM 717 O GLN A 49 0.106 2.416 11.886 1.00 0.00 O ATOM 718 CB GLN A 49 3.406 2.022 12.358 1.00 0.00 C ATOM 719 CG GLN A 49 2.758 0.679 12.705 1.00 0.00 C ATOM 720 CD GLN A 49 3.572 -0.064 13.766 1.00 0.00 C ATOM 721 OE1 GLN A 49 4.787 -0.152 13.704 1.00 0.00 O ATOM 722 NE2 GLN A 49 2.837 -0.591 14.740 1.00 0.00 N ATOM 0 H GLN A 49 3.452 4.644 12.190 1.00 0.00 H new ATOM 0 HA GLN A 49 2.266 2.453 10.610 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.304 1.854 11.764 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.719 2.526 13.272 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.744 0.844 13.069 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.679 0.066 11.807 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.823 -0.480 14.731 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.287 -1.106 15.497 1.00 0.00 H new ATOM 731 N GLY A 50 1.094 3.794 13.383 1.00 0.00 N ATOM 732 CA GLY A 50 -0.113 3.987 14.169 1.00 0.00 C ATOM 733 C GLY A 50 -1.313 4.284 13.267 1.00 0.00 C ATOM 734 O GLY A 50 -2.451 3.986 13.625 1.00 0.00 O ATOM 0 H GLY A 50 1.913 4.294 13.729 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.312 3.094 14.762 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.032 4.809 14.869 1.00 0.00 H new ATOM 738 N LEU A 51 -1.017 4.868 12.115 1.00 0.00 N ATOM 739 CA LEU A 51 -2.057 5.208 11.160 1.00 0.00 C ATOM 740 C LEU A 51 -2.335 4.001 10.263 1.00 0.00 C ATOM 741 O LEU A 51 -3.401 3.393 10.346 1.00 0.00 O ATOM 742 CB LEU A 51 -1.682 6.475 10.388 1.00 0.00 C ATOM 743 CG LEU A 51 -2.570 6.818 9.190 1.00 0.00 C ATOM 744 CD1 LEU A 51 -2.074 6.119 7.922 1.00 0.00 C ATOM 745 CD2 LEU A 51 -4.036 6.497 9.485 1.00 0.00 C ATOM 0 H LEU A 51 -0.072 5.114 11.822 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.988 5.441 11.678 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.699 7.317 11.080 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.655 6.372 10.036 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.505 7.891 9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.723 6.380 7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.055 6.439 7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.091 5.039 8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.646 6.750 8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.139 5.434 9.703 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.370 7.078 10.345 1.00 0.00 H new ATOM 757 N LEU A 52 -1.357 3.688 9.425 1.00 0.00 N ATOM 758 CA LEU A 52 -1.483 2.564 8.514 1.00 0.00 C ATOM 759 C LEU A 52 -2.166 1.401 9.236 1.00 0.00 C ATOM 760 O LEU A 52 -2.935 0.656 8.631 1.00 0.00 O ATOM 761 CB LEU A 52 -0.120 2.202 7.918 1.00 0.00 C ATOM 762 CG LEU A 52 -0.063 0.899 7.119 1.00 0.00 C ATOM 763 CD1 LEU A 52 -0.937 0.985 5.866 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.382 0.524 6.784 1.00 0.00 C ATOM 0 H LEU A 52 -0.474 4.194 9.358 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.116 2.830 7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.199 3.017 7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.604 2.139 8.730 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.468 0.100 7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.878 0.046 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.971 1.172 6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.585 1.799 5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.394 -0.406 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.836 1.318 6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.947 0.393 7.707 1.00 0.00 H new ATOM 776 N SER A 53 -1.862 1.283 10.520 1.00 0.00 N ATOM 777 CA SER A 53 -2.438 0.223 11.331 1.00 0.00 C ATOM 778 C SER A 53 -3.955 0.399 11.420 1.00 0.00 C ATOM 779 O SER A 53 -4.710 -0.499 11.050 1.00 0.00 O ATOM 780 CB SER A 53 -1.822 0.206 12.732 1.00 0.00 C ATOM 781 OG SER A 53 -2.358 -0.841 13.537 1.00 0.00 O ATOM 0 H SER A 53 -1.225 1.904 11.019 1.00 0.00 H new ATOM 0 HA SER A 53 -2.217 -0.732 10.855 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.742 0.085 12.652 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.000 1.165 13.218 1.00 0.00 H new ATOM 0 HG SER A 53 -1.939 -0.820 14.423 1.00 0.00 H new ATOM 787 N GLU A 54 -4.356 1.561 11.914 1.00 0.00 N ATOM 788 CA GLU A 54 -5.770 1.865 12.057 1.00 0.00 C ATOM 789 C GLU A 54 -6.494 1.659 10.725 1.00 0.00 C ATOM 790 O GLU A 54 -7.703 1.431 10.701 1.00 0.00 O ATOM 791 CB GLU A 54 -5.974 3.289 12.577 1.00 0.00 C ATOM 792 CG GLU A 54 -6.195 4.268 11.422 1.00 0.00 C ATOM 793 CD GLU A 54 -6.097 5.717 11.906 1.00 0.00 C ATOM 794 OE1 GLU A 54 -5.425 5.927 12.938 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.697 6.582 11.231 1.00 0.00 O ATOM 0 H GLU A 54 -3.727 2.303 12.220 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.197 1.181 12.790 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.831 3.315 13.250 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.104 3.596 13.157 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.454 4.090 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.174 4.095 10.976 1.00 0.00 H new ATOM 802 N ILE A 55 -5.725 1.745 9.650 1.00 0.00 N ATOM 803 CA ILE A 55 -6.278 1.570 8.318 1.00 0.00 C ATOM 804 C ILE A 55 -6.454 0.077 8.035 1.00 0.00 C ATOM 805 O ILE A 55 -7.473 -0.338 7.485 1.00 0.00 O ATOM 806 CB ILE A 55 -5.417 2.295 7.281 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.515 3.812 7.451 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.780 1.853 5.862 1.00 0.00 C ATOM 809 CD1 ILE A 55 -4.449 4.527 6.619 1.00 0.00 C ATOM 0 H ILE A 55 -4.723 1.934 9.674 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.266 2.026 8.253 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.376 2.019 7.448 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.506 4.152 7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.396 4.072 8.503 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.154 2.383 5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.617 0.780 5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.828 2.081 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.541 5.604 6.758 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.459 4.203 6.940 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.586 4.284 5.565 1.00 0.00 H new ATOM 821 N LEU A 56 -5.446 -0.689 8.424 1.00 0.00 N ATOM 822 CA LEU A 56 -5.477 -2.128 8.220 1.00 0.00 C ATOM 823 C LEU A 56 -6.420 -2.764 9.243 1.00 0.00 C ATOM 824 O LEU A 56 -6.790 -3.930 9.110 1.00 0.00 O ATOM 825 CB LEU A 56 -4.060 -2.704 8.248 1.00 0.00 C ATOM 826 CG LEU A 56 -3.091 -2.152 7.200 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.640 -2.304 7.661 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.330 -2.803 5.836 1.00 0.00 C ATOM 0 H LEU A 56 -4.602 -0.341 8.879 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.872 -2.364 7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.636 -2.525 9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.126 -3.784 8.120 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.283 -1.085 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.972 -1.904 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.495 -1.757 8.593 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.418 -3.359 7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.629 -2.393 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.182 -3.880 5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.350 -2.600 5.510 1.00 0.00 H new ATOM 840 N ARG A 57 -6.782 -1.970 10.240 1.00 0.00 N ATOM 841 CA ARG A 57 -7.674 -2.442 11.286 1.00 0.00 C ATOM 842 C ARG A 57 -9.130 -2.169 10.902 1.00 0.00 C ATOM 843 O ARG A 57 -9.976 -3.059 10.990 1.00 0.00 O ATOM 844 CB ARG A 57 -7.369 -1.758 12.620 1.00 0.00 C ATOM 845 CG ARG A 57 -6.138 -2.379 13.284 1.00 0.00 C ATOM 846 CD ARG A 57 -6.242 -2.304 14.809 1.00 0.00 C ATOM 847 NE ARG A 57 -5.073 -1.585 15.362 1.00 0.00 N ATOM 848 CZ ARG A 57 -5.015 -1.090 16.606 1.00 0.00 C ATOM 849 NH1 ARG A 57 -6.059 -1.233 17.433 1.00 0.00 N ATOM 850 NH2 ARG A 57 -3.913 -0.451 17.022 1.00 0.00 N ATOM 0 H ARG A 57 -6.474 -1.003 10.346 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.518 -3.515 11.397 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.201 -0.693 12.457 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.229 -1.847 13.284 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.038 -3.419 12.973 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.240 -1.859 12.951 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.162 -1.793 15.094 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.293 -3.309 15.228 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.260 -1.458 14.759 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.898 -1.719 17.116 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.015 -0.856 18.380 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.118 -0.341 16.392 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.869 -0.074 17.969 1.00 0.00 H new ATOM 864 N LYS A 58 -9.379 -0.936 10.486 1.00 0.00 N ATOM 865 CA LYS A 58 -10.718 -0.536 10.090 1.00 0.00 C ATOM 866 C LYS A 58 -10.945 -0.911 8.624 1.00 0.00 C ATOM 867 O LYS A 58 -12.013 -1.403 8.263 1.00 0.00 O ATOM 868 CB LYS A 58 -10.944 0.948 10.387 1.00 0.00 C ATOM 869 CG LYS A 58 -10.825 1.231 11.885 1.00 0.00 C ATOM 870 CD LYS A 58 -10.292 2.644 12.136 1.00 0.00 C ATOM 871 CE LYS A 58 -9.782 2.791 13.571 1.00 0.00 C ATOM 872 NZ LYS A 58 -10.734 3.584 14.380 1.00 0.00 N ATOM 0 H LYS A 58 -8.676 -0.201 10.415 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.465 -1.072 10.676 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.215 1.547 9.841 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.931 1.247 10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.800 1.117 12.359 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.160 0.500 12.345 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.486 2.862 11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.081 3.373 11.950 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.648 1.806 14.018 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.806 3.276 13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.373 3.674 15.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.842 4.530 13.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.657 3.106 14.397 1.00 0.00 H new ATOM 886 N GLU A 59 -9.922 -0.665 7.818 1.00 0.00 N ATOM 887 CA GLU A 59 -9.997 -0.971 6.400 1.00 0.00 C ATOM 888 C GLU A 59 -11.059 -0.102 5.724 1.00 0.00 C ATOM 889 O GLU A 59 -11.870 -0.600 4.944 1.00 0.00 O ATOM 890 CB GLU A 59 -10.279 -2.458 6.174 1.00 0.00 C ATOM 891 CG GLU A 59 -8.994 -3.282 6.275 1.00 0.00 C ATOM 892 CD GLU A 59 -9.030 -4.473 5.316 1.00 0.00 C ATOM 893 OE1 GLU A 59 -9.969 -4.510 4.491 1.00 0.00 O ATOM 894 OE2 GLU A 59 -8.118 -5.321 5.429 1.00 0.00 O ATOM 0 H GLU A 59 -9.037 -0.257 8.120 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.031 -0.746 5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.000 -2.811 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.731 -2.601 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.135 -2.652 6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.865 -3.637 7.297 1.00 0.00 H new ATOM 901 N GLU A 60 -11.021 1.182 6.049 1.00 0.00 N ATOM 902 CA GLU A 60 -11.971 2.125 5.483 1.00 0.00 C ATOM 903 C GLU A 60 -12.077 1.928 3.969 1.00 0.00 C ATOM 904 O GLU A 60 -11.181 2.324 3.224 1.00 0.00 O ATOM 905 CB GLU A 60 -11.582 3.565 5.823 1.00 0.00 C ATOM 906 CG GLU A 60 -12.611 4.205 6.758 1.00 0.00 C ATOM 907 CD GLU A 60 -12.953 5.626 6.307 1.00 0.00 C ATOM 908 OE1 GLU A 60 -12.084 6.505 6.494 1.00 0.00 O ATOM 909 OE2 GLU A 60 -14.075 5.802 5.785 1.00 0.00 O ATOM 0 H GLU A 60 -10.348 1.591 6.697 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.950 1.934 5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.599 3.578 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.504 4.150 4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.516 3.598 6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.219 4.227 7.775 1.00 0.00 H new ATOM 916 N ASP A 61 -13.179 1.317 3.559 1.00 0.00 N ATOM 917 CA ASP A 61 -13.413 1.064 2.148 1.00 0.00 C ATOM 918 C ASP A 61 -13.052 2.313 1.343 1.00 0.00 C ATOM 919 O ASP A 61 -13.352 3.432 1.758 1.00 0.00 O ATOM 920 CB ASP A 61 -14.884 0.739 1.884 1.00 0.00 C ATOM 921 CG ASP A 61 -15.145 -0.648 1.292 1.00 0.00 C ATOM 922 OD1 ASP A 61 -14.146 -1.309 0.936 1.00 0.00 O ATOM 923 OD2 ASP A 61 -16.337 -1.015 1.210 1.00 0.00 O ATOM 0 H ASP A 61 -13.919 0.990 4.180 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.797 0.215 1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.433 0.826 2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.290 1.489 1.205 1.00 0.00 H new ATOM 928 N PRO A 62 -12.396 2.076 0.175 1.00 0.00 N ATOM 929 CA PRO A 62 -11.991 3.169 -0.692 1.00 0.00 C ATOM 930 C PRO A 62 -13.192 3.746 -1.444 1.00 0.00 C ATOM 931 O PRO A 62 -13.046 4.680 -2.231 1.00 0.00 O ATOM 932 CB PRO A 62 -10.943 2.571 -1.616 1.00 0.00 C ATOM 933 CG PRO A 62 -11.135 1.064 -1.544 1.00 0.00 C ATOM 934 CD PRO A 62 -12.024 0.764 -0.348 1.00 0.00 C ATOM 0 HA PRO A 62 -11.580 4.014 -0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.070 2.933 -2.636 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.938 2.852 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.592 0.693 -2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.173 0.561 -1.441 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.903 0.191 -0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.495 0.175 0.401 1.00 0.00 H new ATOM 942 N ARG A 63 -14.353 3.165 -1.175 1.00 0.00 N ATOM 943 CA ARG A 63 -15.578 3.610 -1.817 1.00 0.00 C ATOM 944 C ARG A 63 -16.255 4.694 -0.975 1.00 0.00 C ATOM 945 O ARG A 63 -16.883 5.603 -1.516 1.00 0.00 O ATOM 946 CB ARG A 63 -16.551 2.446 -2.013 1.00 0.00 C ATOM 947 CG ARG A 63 -15.882 1.292 -2.763 1.00 0.00 C ATOM 948 CD ARG A 63 -15.835 1.569 -4.267 1.00 0.00 C ATOM 949 NE ARG A 63 -16.130 0.330 -5.019 1.00 0.00 N ATOM 950 CZ ARG A 63 -17.305 -0.315 -4.975 1.00 0.00 C ATOM 951 NH1 ARG A 63 -18.301 0.160 -4.215 1.00 0.00 N ATOM 952 NH2 ARG A 63 -17.483 -1.433 -5.691 1.00 0.00 N ATOM 0 H ARG A 63 -14.471 2.391 -0.522 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.312 4.016 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -16.906 2.097 -1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.425 2.787 -2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -14.870 1.146 -2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.428 0.367 -2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -16.559 2.342 -4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -14.851 1.947 -4.545 1.00 0.00 H new ATOM 0 HE ARG A 63 -15.393 -0.058 -5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -18.165 1.012 -3.670 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -19.195 -0.330 -4.181 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.725 -1.794 -6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -18.377 -1.923 -5.657 1.00 0.00 H new ATOM 966 N THR A 64 -16.103 4.563 0.334 1.00 0.00 N ATOM 967 CA THR A 64 -16.691 5.520 1.256 1.00 0.00 C ATOM 968 C THR A 64 -15.596 6.302 1.984 1.00 0.00 C ATOM 969 O THR A 64 -15.843 7.391 2.498 1.00 0.00 O ATOM 970 CB THR A 64 -17.623 4.757 2.199 1.00 0.00 C ATOM 971 OG1 THR A 64 -16.741 4.144 3.136 1.00 0.00 O ATOM 972 CG2 THR A 64 -18.315 3.578 1.512 1.00 0.00 C ATOM 0 H THR A 64 -15.581 3.808 0.779 1.00 0.00 H new ATOM 0 HA THR A 64 -17.282 6.267 0.727 1.00 0.00 H new ATOM 0 HB THR A 64 -18.376 5.438 2.595 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.262 3.629 3.787 1.00 0.00 H new ATOM 0 HG21 THR A 64 -18.965 3.071 2.226 1.00 0.00 H new ATOM 0 HG22 THR A 64 -18.910 3.943 0.675 1.00 0.00 H new ATOM 0 HG23 THR A 64 -17.564 2.879 1.145 1.00 0.00 H new ATOM 980 N ALA A 65 -14.408 5.715 2.004 1.00 0.00 N ATOM 981 CA ALA A 65 -13.274 6.343 2.660 1.00 0.00 C ATOM 982 C ALA A 65 -13.290 7.845 2.371 1.00 0.00 C ATOM 983 O ALA A 65 -13.829 8.279 1.354 1.00 0.00 O ATOM 984 CB ALA A 65 -11.979 5.673 2.195 1.00 0.00 C ATOM 0 H ALA A 65 -14.206 4.811 1.576 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.337 6.215 3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.128 6.144 2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.005 4.614 2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.880 5.783 1.115 1.00 0.00 H new ATOM 990 N SER A 66 -12.693 8.597 3.284 1.00 0.00 N ATOM 991 CA SER A 66 -12.632 10.042 3.139 1.00 0.00 C ATOM 992 C SER A 66 -11.391 10.435 2.335 1.00 0.00 C ATOM 993 O SER A 66 -10.416 9.687 2.286 1.00 0.00 O ATOM 994 CB SER A 66 -12.621 10.732 4.505 1.00 0.00 C ATOM 995 OG SER A 66 -11.377 11.375 4.768 1.00 0.00 O ATOM 0 H SER A 66 -12.247 8.233 4.126 1.00 0.00 H new ATOM 0 HA SER A 66 -13.523 10.371 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.425 11.467 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.821 9.997 5.284 1.00 0.00 H new ATOM 0 HG SER A 66 -11.527 12.154 5.343 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.468 11.609 1.725 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.363 12.111 0.926 1.00 0.00 C ATOM 1003 C GLN A 67 -9.049 11.983 1.698 1.00 0.00 C ATOM 1004 O GLN A 67 -8.013 11.658 1.118 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.609 13.559 0.499 1.00 0.00 C ATOM 1006 CG GLN A 67 -11.136 13.626 -0.936 1.00 0.00 C ATOM 1007 CD GLN A 67 -11.659 15.026 -1.264 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -11.187 16.028 -0.753 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -12.658 15.039 -2.142 1.00 0.00 N ATOM 0 H GLN A 67 -12.278 12.227 1.768 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.291 11.507 0.021 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.326 14.025 1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.682 14.127 0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.341 13.359 -1.632 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.934 12.896 -1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.006 14.163 -2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.076 15.925 -2.426 1.00 0.00 H new ATOM 1018 N SER A 68 -9.133 12.243 2.994 1.00 0.00 N ATOM 1019 CA SER A 68 -7.963 12.161 3.851 1.00 0.00 C ATOM 1020 C SER A 68 -7.345 10.764 3.761 1.00 0.00 C ATOM 1021 O SER A 68 -6.123 10.620 3.781 1.00 0.00 O ATOM 1022 CB SER A 68 -8.318 12.491 5.302 1.00 0.00 C ATOM 1023 OG SER A 68 -7.941 13.819 5.656 1.00 0.00 O ATOM 0 H SER A 68 -9.994 12.511 3.472 1.00 0.00 H new ATOM 0 HA SER A 68 -7.236 12.896 3.507 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.391 12.367 5.450 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.821 11.784 5.966 1.00 0.00 H new ATOM 0 HG SER A 68 -8.186 13.991 6.589 1.00 0.00 H new ATOM 1029 N LEU A 69 -8.217 9.772 3.664 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.772 8.392 3.570 1.00 0.00 C ATOM 1031 C LEU A 69 -7.494 8.048 2.106 1.00 0.00 C ATOM 1032 O LEU A 69 -6.407 7.580 1.770 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.781 7.457 4.241 1.00 0.00 C ATOM 1034 CG LEU A 69 -8.191 6.332 5.092 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.242 5.751 6.039 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.554 5.254 4.212 1.00 0.00 C ATOM 0 H LEU A 69 -9.229 9.896 3.648 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.836 8.256 4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.438 8.056 4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.404 7.011 3.466 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.398 6.753 5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.796 4.953 6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.607 6.535 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.073 5.350 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.142 4.466 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.310 4.831 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.756 5.696 3.616 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.495 8.293 1.273 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.372 8.016 -0.148 1.00 0.00 C ATOM 1050 C LEU A 70 -7.023 8.535 -0.650 1.00 0.00 C ATOM 1051 O LEU A 70 -6.349 7.867 -1.431 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.571 8.583 -0.910 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.768 7.643 -1.073 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -12.019 8.416 -1.495 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.443 6.504 -2.042 1.00 0.00 C ATOM 0 H LEU A 70 -9.395 8.681 1.555 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.388 6.941 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.909 9.484 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.235 8.887 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.981 7.190 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.855 7.725 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.260 9.160 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.835 8.915 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.310 5.851 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.189 6.918 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.598 5.931 -1.660 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.670 9.722 -0.179 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.414 10.339 -0.571 1.00 0.00 C ATOM 1069 C VAL A 71 -4.270 9.353 -0.329 1.00 0.00 C ATOM 1070 O VAL A 71 -3.346 9.258 -1.136 1.00 0.00 O ATOM 1071 CB VAL A 71 -5.228 11.664 0.172 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.748 12.045 0.250 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -6.048 12.778 -0.482 1.00 0.00 C ATOM 0 H VAL A 71 -7.232 10.273 0.470 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.420 10.576 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.594 11.533 1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.643 12.990 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.199 11.267 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.346 12.150 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.898 13.709 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.726 12.908 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.105 12.511 -0.462 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.368 8.643 0.786 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.353 7.667 1.144 1.00 0.00 C ATOM 1085 C ASN A 72 -3.592 6.377 0.358 1.00 0.00 C ATOM 1086 O ASN A 72 -2.676 5.852 -0.274 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.414 7.331 2.635 1.00 0.00 C ATOM 1088 CG ASN A 72 -3.028 8.542 3.487 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -2.014 9.185 3.274 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -3.892 8.815 4.461 1.00 0.00 N ATOM 0 H ASN A 72 -5.135 8.725 1.453 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.378 8.094 0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.420 7.004 2.897 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.742 6.500 2.852 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.724 9.604 5.085 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.722 8.235 4.584 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.827 5.902 0.423 1.00 0.00 N ATOM 1098 CA LEU A 73 -5.198 4.683 -0.275 1.00 0.00 C ATOM 1099 C LEU A 73 -4.710 4.761 -1.723 1.00 0.00 C ATOM 1100 O LEU A 73 -4.091 3.823 -2.224 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.701 4.428 -0.146 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.262 4.428 1.278 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.769 4.166 1.274 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.509 3.433 2.163 1.00 0.00 C ATOM 0 H LEU A 73 -5.584 6.340 0.949 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.711 3.820 0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.229 5.187 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.927 3.465 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.109 5.419 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.142 4.171 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.272 4.945 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.968 3.195 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.927 3.452 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.608 2.430 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.455 3.707 2.203 1.00 0.00 H new ATOM 1116 N ARG A 74 -5.007 5.887 -2.355 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.606 6.100 -3.735 1.00 0.00 C ATOM 1118 C ARG A 74 -3.084 6.001 -3.867 1.00 0.00 C ATOM 1119 O ARG A 74 -2.578 5.339 -4.771 1.00 0.00 O ATOM 1120 CB ARG A 74 -5.067 7.469 -4.238 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.361 7.349 -5.045 1.00 0.00 C ATOM 1122 CD ARG A 74 -6.979 8.726 -5.298 1.00 0.00 C ATOM 1123 NE ARG A 74 -7.878 8.669 -6.473 1.00 0.00 N ATOM 1124 CZ ARG A 74 -8.812 9.589 -6.748 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -8.977 10.642 -5.936 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -9.583 9.456 -7.837 1.00 0.00 N ATOM 0 H ARG A 74 -5.521 6.662 -1.936 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.078 5.326 -4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.223 8.138 -3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.288 7.914 -4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.156 6.858 -5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.072 6.721 -4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.536 9.051 -4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.192 9.461 -5.467 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.780 7.880 -7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.391 10.744 -5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.689 11.342 -6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.458 8.655 -8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.294 10.156 -8.047 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.399 6.670 -2.951 1.00 0.00 N ATOM 1141 CA ALA A 75 -0.946 6.666 -2.954 1.00 0.00 C ATOM 1142 C ALA A 75 -0.444 5.223 -2.871 1.00 0.00 C ATOM 1143 O ALA A 75 0.306 4.772 -3.736 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.430 7.529 -1.801 1.00 0.00 C ATOM 0 H ALA A 75 -2.823 7.218 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.564 7.096 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.660 7.526 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.790 8.551 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.792 7.126 -0.855 1.00 0.00 H new ATOM 1150 N MET A 76 -0.876 4.539 -1.822 1.00 0.00 N ATOM 1151 CA MET A 76 -0.480 3.156 -1.615 1.00 0.00 C ATOM 1152 C MET A 76 -0.597 2.352 -2.912 1.00 0.00 C ATOM 1153 O MET A 76 0.396 1.823 -3.410 1.00 0.00 O ATOM 1154 CB MET A 76 -1.370 2.525 -0.542 1.00 0.00 C ATOM 1155 CG MET A 76 -0.957 2.992 0.856 1.00 0.00 C ATOM 1156 SD MET A 76 -2.039 2.277 2.082 1.00 0.00 S ATOM 1157 CE MET A 76 -3.090 3.679 2.423 1.00 0.00 C ATOM 0 H MET A 76 -1.497 4.917 -1.106 1.00 0.00 H new ATOM 0 HA MET A 76 0.561 3.140 -1.292 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.411 2.791 -0.725 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.303 1.439 -0.601 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.074 2.702 1.056 1.00 0.00 H new ATOM 0 HG3 MET A 76 -0.999 4.080 0.912 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.943 3.357 3.020 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.525 4.432 2.973 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.444 4.105 1.484 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.818 2.286 -3.422 1.00 0.00 N ATOM 1168 CA GLN A 77 -2.077 1.556 -4.651 1.00 0.00 C ATOM 1169 C GLN A 77 -1.093 1.985 -5.741 1.00 0.00 C ATOM 1170 O GLN A 77 -0.763 1.200 -6.629 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.523 1.751 -5.110 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.812 0.938 -6.374 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.675 -0.284 -6.055 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.733 -0.494 -6.624 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -4.166 -1.076 -5.115 1.00 0.00 N ATOM 0 H GLN A 77 -2.639 2.726 -3.006 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.932 0.493 -4.457 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.205 1.448 -4.315 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.708 2.808 -5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.320 1.566 -7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.874 0.617 -6.826 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.274 -0.842 -4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.667 -1.918 -4.831 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.651 3.230 -5.638 1.00 0.00 N ATOM 1185 CA ASN A 78 0.289 3.773 -6.604 1.00 0.00 C ATOM 1186 C ASN A 78 1.685 3.215 -6.319 1.00 0.00 C ATOM 1187 O ASN A 78 2.496 3.066 -7.233 1.00 0.00 O ATOM 1188 CB ASN A 78 0.360 5.298 -6.505 1.00 0.00 C ATOM 1189 CG ASN A 78 0.175 5.945 -7.879 1.00 0.00 C ATOM 1190 OD1 ASN A 78 0.543 5.399 -8.906 1.00 0.00 O ATOM 1191 ND2 ASN A 78 -0.414 7.137 -7.841 1.00 0.00 N ATOM 0 H ASN A 78 -0.927 3.878 -4.900 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.050 3.492 -7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.410 5.658 -5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.321 5.595 -6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.582 7.651 -8.706 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.698 7.537 -6.947 1.00 0.00 H new ATOM 1198 N PHE A 79 1.923 2.922 -5.049 1.00 0.00 N ATOM 1199 CA PHE A 79 3.207 2.384 -4.634 1.00 0.00 C ATOM 1200 C PHE A 79 3.276 0.875 -4.880 1.00 0.00 C ATOM 1201 O PHE A 79 4.329 0.347 -5.232 1.00 0.00 O ATOM 1202 CB PHE A 79 3.339 2.650 -3.133 1.00 0.00 C ATOM 1203 CG PHE A 79 4.516 1.927 -2.474 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.780 2.402 -2.633 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.297 0.811 -1.729 1.00 0.00 C ATOM 1206 CE1 PHE A 79 6.872 1.732 -2.021 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.389 0.141 -1.117 1.00 0.00 C ATOM 1208 CZ PHE A 79 6.654 0.615 -1.276 1.00 0.00 C ATOM 0 H PHE A 79 1.249 3.047 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 79 4.009 2.855 -5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.449 3.723 -2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.416 2.347 -2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.953 3.289 -3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.293 0.434 -1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.876 2.109 -2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.215 -0.745 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.485 0.105 -0.811 1.00 0.00 H new ATOM 1218 N LEU A 80 2.138 0.224 -4.686 1.00 0.00 N ATOM 1219 CA LEU A 80 2.056 -1.213 -4.883 1.00 0.00 C ATOM 1220 C LEU A 80 2.120 -1.523 -6.380 1.00 0.00 C ATOM 1221 O LEU A 80 2.292 -2.676 -6.772 1.00 0.00 O ATOM 1222 CB LEU A 80 0.814 -1.778 -4.191 1.00 0.00 C ATOM 1223 CG LEU A 80 0.720 -1.540 -2.682 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.687 -1.846 -2.166 1.00 0.00 C ATOM 1225 CD2 LEU A 80 1.791 -2.335 -1.934 1.00 0.00 C ATOM 0 H LEU A 80 1.266 0.665 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 80 2.907 -1.711 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.069 -1.346 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.778 -2.852 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 80 0.911 -0.484 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.727 -1.669 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.407 -1.199 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.931 -2.888 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.702 -2.148 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.657 -3.399 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.779 -2.025 -2.275 1.00 0.00 H new ATOM 1237 N ASN A 81 1.977 -0.473 -7.176 1.00 0.00 N ATOM 1238 CA ASN A 81 2.016 -0.618 -8.621 1.00 0.00 C ATOM 1239 C ASN A 81 3.472 -0.586 -9.093 1.00 0.00 C ATOM 1240 O ASN A 81 3.810 -1.184 -10.113 1.00 0.00 O ATOM 1241 CB ASN A 81 1.271 0.526 -9.310 1.00 0.00 C ATOM 1242 CG ASN A 81 -0.242 0.302 -9.263 1.00 0.00 C ATOM 1243 OD1 ASN A 81 -0.726 -0.801 -9.069 1.00 0.00 O ATOM 1244 ND2 ASN A 81 -0.959 1.406 -9.451 1.00 0.00 N ATOM 0 H ASN A 81 1.834 0.482 -6.847 1.00 0.00 H new ATOM 0 HA ASN A 81 1.540 -1.564 -8.878 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.518 1.470 -8.824 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.598 0.606 -10.347 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.978 1.361 -9.438 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.490 2.298 -9.608 1.00 0.00 H new ATOM 1251 N LEU A 82 4.293 0.117 -8.328 1.00 0.00 N ATOM 1252 CA LEU A 82 5.704 0.235 -8.655 1.00 0.00 C ATOM 1253 C LEU A 82 6.254 -1.144 -9.025 1.00 0.00 C ATOM 1254 O LEU A 82 5.622 -2.163 -8.750 1.00 0.00 O ATOM 1255 CB LEU A 82 6.464 0.914 -7.513 1.00 0.00 C ATOM 1256 CG LEU A 82 6.492 2.444 -7.543 1.00 0.00 C ATOM 1257 CD1 LEU A 82 7.378 2.997 -6.426 1.00 0.00 C ATOM 1258 CD2 LEU A 82 6.916 2.958 -8.920 1.00 0.00 C ATOM 0 H LEU A 82 4.008 0.611 -7.482 1.00 0.00 H new ATOM 0 HA LEU A 82 5.841 0.878 -9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.021 0.597 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.492 0.551 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 82 5.481 2.808 -7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.381 4.086 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.990 2.673 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.395 2.626 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.928 4.048 -8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.913 2.586 -9.156 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.210 2.607 -9.673 1.00 0.00 H new ATOM 1270 N PRO A 83 7.457 -1.132 -9.658 1.00 0.00 N ATOM 1271 CA PRO A 83 8.100 -2.369 -10.069 1.00 0.00 C ATOM 1272 C PRO A 83 8.701 -3.099 -8.866 1.00 0.00 C ATOM 1273 O PRO A 83 9.385 -2.491 -8.044 1.00 0.00 O ATOM 1274 CB PRO A 83 9.143 -1.950 -11.092 1.00 0.00 C ATOM 1275 CG PRO A 83 9.365 -0.462 -10.875 1.00 0.00 C ATOM 1276 CD PRO A 83 8.235 0.056 -10.000 1.00 0.00 C ATOM 0 HA PRO A 83 7.400 -3.083 -10.504 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.070 -2.507 -10.956 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.797 -2.150 -12.106 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.329 -0.286 -10.398 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.381 0.065 -11.829 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.620 0.548 -9.107 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.627 0.788 -10.531 1.00 0.00 H new ATOM 1284 N GLU A 84 8.425 -4.394 -8.802 1.00 0.00 N ATOM 1285 CA GLU A 84 8.931 -5.213 -7.714 1.00 0.00 C ATOM 1286 C GLU A 84 10.403 -4.892 -7.447 1.00 0.00 C ATOM 1287 O GLU A 84 10.829 -4.829 -6.295 1.00 0.00 O ATOM 1288 CB GLU A 84 8.740 -6.701 -8.014 1.00 0.00 C ATOM 1289 CG GLU A 84 9.168 -7.560 -6.823 1.00 0.00 C ATOM 1290 CD GLU A 84 8.810 -9.031 -7.050 1.00 0.00 C ATOM 1291 OE1 GLU A 84 7.601 -9.339 -6.973 1.00 0.00 O ATOM 1292 OE2 GLU A 84 9.753 -9.813 -7.296 1.00 0.00 O ATOM 0 H GLU A 84 7.858 -4.895 -9.486 1.00 0.00 H new ATOM 0 HA GLU A 84 8.360 -4.981 -6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.694 -6.897 -8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.323 -6.976 -8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.243 -7.463 -6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.682 -7.199 -5.917 1.00 0.00 H new ATOM 1299 N VAL A 85 11.139 -4.698 -8.531 1.00 0.00 N ATOM 1300 CA VAL A 85 12.554 -4.385 -8.429 1.00 0.00 C ATOM 1301 C VAL A 85 12.731 -3.104 -7.611 1.00 0.00 C ATOM 1302 O VAL A 85 13.651 -3.003 -6.800 1.00 0.00 O ATOM 1303 CB VAL A 85 13.172 -4.292 -9.826 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.530 -5.303 -10.777 1.00 0.00 C ATOM 1305 CG2 VAL A 85 13.062 -2.870 -10.380 1.00 0.00 C ATOM 0 H VAL A 85 10.782 -4.752 -9.485 1.00 0.00 H new ATOM 0 HA VAL A 85 13.084 -5.181 -7.906 1.00 0.00 H new ATOM 0 HB VAL A 85 14.231 -4.537 -9.742 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.987 -5.216 -11.763 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.683 -6.312 -10.393 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.461 -5.103 -10.854 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.509 -2.831 -11.374 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.012 -2.584 -10.443 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.587 -2.180 -9.719 1.00 0.00 H new ATOM 1315 N GLU A 86 11.835 -2.158 -7.851 1.00 0.00 N ATOM 1316 CA GLU A 86 11.880 -0.888 -7.146 1.00 0.00 C ATOM 1317 C GLU A 86 11.510 -1.084 -5.674 1.00 0.00 C ATOM 1318 O GLU A 86 12.304 -0.781 -4.785 1.00 0.00 O ATOM 1319 CB GLU A 86 10.962 0.140 -7.810 1.00 0.00 C ATOM 1320 CG GLU A 86 11.763 1.104 -8.687 1.00 0.00 C ATOM 1321 CD GLU A 86 12.900 1.752 -7.894 1.00 0.00 C ATOM 1322 OE1 GLU A 86 12.589 2.343 -6.837 1.00 0.00 O ATOM 1323 OE2 GLU A 86 14.053 1.643 -8.363 1.00 0.00 O ATOM 0 H GLU A 86 11.073 -2.245 -8.524 1.00 0.00 H new ATOM 0 HA GLU A 86 12.898 -0.503 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.214 -0.372 -8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.424 0.700 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.172 0.568 -9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.103 1.877 -9.081 1.00 0.00 H new ATOM 1330 N ARG A 87 10.304 -1.590 -5.463 1.00 0.00 N ATOM 1331 CA ARG A 87 9.820 -1.830 -4.114 1.00 0.00 C ATOM 1332 C ARG A 87 10.894 -2.532 -3.281 1.00 0.00 C ATOM 1333 O ARG A 87 11.182 -2.119 -2.158 1.00 0.00 O ATOM 1334 CB ARG A 87 8.553 -2.689 -4.129 1.00 0.00 C ATOM 1335 CG ARG A 87 7.541 -2.157 -5.145 1.00 0.00 C ATOM 1336 CD ARG A 87 6.109 -2.347 -4.644 1.00 0.00 C ATOM 1337 NE ARG A 87 5.520 -3.566 -5.243 1.00 0.00 N ATOM 1338 CZ ARG A 87 5.696 -4.802 -4.757 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.444 -4.992 -3.662 1.00 0.00 N ATOM 1340 NH2 ARG A 87 5.123 -5.849 -5.367 1.00 0.00 N ATOM 0 H ARG A 87 9.648 -1.840 -6.203 1.00 0.00 H new ATOM 0 HA ARG A 87 9.585 -0.863 -3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.811 -3.719 -4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.105 -2.699 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.728 -1.099 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.669 -2.674 -6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.103 -2.427 -3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.506 -1.477 -4.903 1.00 0.00 H new ATOM 0 HE ARG A 87 4.944 -3.458 -6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.880 -4.195 -3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.577 -5.933 -3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.553 -5.704 -6.201 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.257 -6.790 -4.998 1.00 0.00 H new ATOM 1354 N ASP A 88 11.458 -3.580 -3.863 1.00 0.00 N ATOM 1355 CA ASP A 88 12.494 -4.343 -3.188 1.00 0.00 C ATOM 1356 C ASP A 88 13.598 -3.393 -2.720 1.00 0.00 C ATOM 1357 O ASP A 88 14.065 -3.488 -1.586 1.00 0.00 O ATOM 1358 CB ASP A 88 13.124 -5.371 -4.130 1.00 0.00 C ATOM 1359 CG ASP A 88 12.586 -6.796 -3.984 1.00 0.00 C ATOM 1360 OD1 ASP A 88 12.151 -7.126 -2.860 1.00 0.00 O ATOM 1361 OD2 ASP A 88 12.623 -7.523 -5.001 1.00 0.00 O ATOM 0 H ASP A 88 11.217 -3.919 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 88 12.036 -4.860 -2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.968 -5.043 -5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.201 -5.386 -3.960 1.00 0.00 H new ATOM 1366 N ARG A 89 13.983 -2.497 -3.617 1.00 0.00 N ATOM 1367 CA ARG A 89 15.023 -1.530 -3.310 1.00 0.00 C ATOM 1368 C ARG A 89 14.485 -0.454 -2.364 1.00 0.00 C ATOM 1369 O ARG A 89 15.066 -0.204 -1.309 1.00 0.00 O ATOM 1370 CB ARG A 89 15.548 -0.863 -4.583 1.00 0.00 C ATOM 1371 CG ARG A 89 16.987 -1.293 -4.874 1.00 0.00 C ATOM 1372 CD ARG A 89 17.042 -2.254 -6.064 1.00 0.00 C ATOM 1373 NE ARG A 89 18.236 -3.122 -5.959 1.00 0.00 N ATOM 1374 CZ ARG A 89 19.473 -2.743 -6.306 1.00 0.00 C ATOM 1375 NH1 ARG A 89 19.687 -1.509 -6.782 1.00 0.00 N ATOM 1376 NH2 ARG A 89 20.497 -3.598 -6.176 1.00 0.00 N ATOM 0 H ARG A 89 13.593 -2.420 -4.557 1.00 0.00 H new ATOM 0 HA ARG A 89 15.842 -2.065 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.909 -1.126 -5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.503 0.221 -4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.598 -0.415 -5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.412 -1.774 -3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.140 -2.865 -6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.073 -1.690 -6.996 1.00 0.00 H new ATOM 0 HE ARG A 89 18.109 -4.068 -5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.908 -0.858 -6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.629 -1.221 -7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.334 -4.537 -5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.439 -3.309 -6.440 1.00 0.00 H new ATOM 1390 N ILE A 90 13.382 0.153 -2.775 1.00 0.00 N ATOM 1391 CA ILE A 90 12.760 1.196 -1.977 1.00 0.00 C ATOM 1392 C ILE A 90 12.737 0.764 -0.509 1.00 0.00 C ATOM 1393 O ILE A 90 13.189 1.501 0.366 1.00 0.00 O ATOM 1394 CB ILE A 90 11.380 1.546 -2.536 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.492 2.142 -3.941 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.620 2.470 -1.581 1.00 0.00 C ATOM 1397 CD1 ILE A 90 10.108 2.410 -4.535 1.00 0.00 C ATOM 0 H ILE A 90 12.903 -0.057 -3.650 1.00 0.00 H new ATOM 0 HA ILE A 90 13.343 2.115 -2.030 1.00 0.00 H new ATOM 0 HB ILE A 90 10.803 0.625 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 90 12.061 3.071 -3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 90 12.043 1.458 -4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.642 2.704 -2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.492 1.973 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.184 3.392 -1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.216 2.833 -5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.551 1.475 -4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.569 3.113 -3.900 1.00 0.00 H new ATOM 1409 N TYR A 91 12.207 -0.430 -0.285 1.00 0.00 N ATOM 1410 CA TYR A 91 12.119 -0.969 1.062 1.00 0.00 C ATOM 1411 C TYR A 91 13.496 -1.009 1.726 1.00 0.00 C ATOM 1412 O TYR A 91 13.655 -0.564 2.862 1.00 0.00 O ATOM 1413 CB TYR A 91 11.597 -2.399 0.910 1.00 0.00 C ATOM 1414 CG TYR A 91 10.134 -2.483 0.471 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.192 -1.654 1.045 1.00 0.00 C ATOM 1416 CD2 TYR A 91 9.756 -3.389 -0.499 1.00 0.00 C ATOM 1417 CE1 TYR A 91 7.814 -1.734 0.632 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.379 -3.469 -0.912 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.476 -2.638 -0.326 1.00 0.00 C ATOM 1420 OH TYR A 91 6.175 -2.713 -0.716 1.00 0.00 O ATOM 0 H TYR A 91 11.834 -1.039 -1.013 1.00 0.00 H new ATOM 0 HA TYR A 91 11.470 -0.351 1.682 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.215 -2.925 0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.711 -2.920 1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.488 -0.945 1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.493 -4.038 -0.948 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.067 -1.091 1.073 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.070 -4.173 -1.670 1.00 0.00 H new ATOM 0 HH TYR A 91 5.944 -1.917 -1.239 1.00 0.00 H new ATOM 1430 N GLN A 92 14.458 -1.547 0.990 1.00 0.00 N ATOM 1431 CA GLN A 92 15.817 -1.652 1.495 1.00 0.00 C ATOM 1432 C GLN A 92 16.337 -0.274 1.909 1.00 0.00 C ATOM 1433 O GLN A 92 16.728 -0.073 3.057 1.00 0.00 O ATOM 1434 CB GLN A 92 16.738 -2.297 0.457 1.00 0.00 C ATOM 1435 CG GLN A 92 18.206 -1.986 0.759 1.00 0.00 C ATOM 1436 CD GLN A 92 18.636 -2.609 2.089 1.00 0.00 C ATOM 1437 OE1 GLN A 92 17.837 -3.145 2.840 1.00 0.00 O ATOM 1438 NE2 GLN A 92 19.938 -2.508 2.337 1.00 0.00 N ATOM 0 H GLN A 92 14.323 -1.915 0.048 1.00 0.00 H new ATOM 0 HA GLN A 92 15.809 -2.295 2.375 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.585 -3.376 0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.482 -1.933 -0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.835 -2.367 -0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.353 -0.907 0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 92 20.551 -2.046 1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 92 20.324 -2.892 3.199 1.00 0.00 H new ATOM 1447 N ASP A 93 16.324 0.641 0.950 1.00 0.00 N ATOM 1448 CA ASP A 93 16.789 1.994 1.200 1.00 0.00 C ATOM 1449 C ASP A 93 16.253 2.472 2.551 1.00 0.00 C ATOM 1450 O ASP A 93 17.019 2.915 3.406 1.00 0.00 O ATOM 1451 CB ASP A 93 16.286 2.958 0.124 1.00 0.00 C ATOM 1452 CG ASP A 93 17.305 4.001 -0.339 1.00 0.00 C ATOM 1453 OD1 ASP A 93 18.414 4.005 0.238 1.00 0.00 O ATOM 1454 OD2 ASP A 93 16.952 4.770 -1.259 1.00 0.00 O ATOM 0 H ASP A 93 15.998 0.471 -0.002 1.00 0.00 H new ATOM 0 HA ASP A 93 17.879 1.982 1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.965 2.377 -0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.406 3.476 0.505 1.00 0.00 H new ATOM 1459 N GLU A 94 14.941 2.365 2.702 1.00 0.00 N ATOM 1460 CA GLU A 94 14.293 2.780 3.934 1.00 0.00 C ATOM 1461 C GLU A 94 15.021 2.188 5.143 1.00 0.00 C ATOM 1462 O GLU A 94 15.543 2.923 5.979 1.00 0.00 O ATOM 1463 CB GLU A 94 12.815 2.385 3.937 1.00 0.00 C ATOM 1464 CG GLU A 94 11.941 3.533 4.446 1.00 0.00 C ATOM 1465 CD GLU A 94 12.047 3.671 5.966 1.00 0.00 C ATOM 1466 OE1 GLU A 94 12.977 3.054 6.528 1.00 0.00 O ATOM 1467 OE2 GLU A 94 11.195 4.390 6.531 1.00 0.00 O ATOM 0 H GLU A 94 14.309 1.997 1.991 1.00 0.00 H new ATOM 0 HA GLU A 94 14.345 3.867 4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.507 2.108 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.671 1.507 4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.246 4.465 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.903 3.357 4.165 1.00 0.00 H new