USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 683 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 Single : A 15 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.39) USER MOD Single : A 26 GLN : amide:sc= -0.228 K(o=-0.23,f=-2.3!) USER MOD Single : A 29 SER OG : rot -160:sc= -0.425 USER MOD Single : A 30 SER OG : rot 170:sc= 0.0111 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -23:sc= -0.418 USER MOD Single : A 38 SER OG : rot 180:sc= -0.666 USER MOD Single : A 41 ASN : amide:sc=-0.00153 K(o=-0.0015,f=-1.3) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.412 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0849 USER MOD Single : A 55 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=-0.23) USER MOD Single : A 57 ASN : amide:sc= -1.97 K(o=-2,f=-2.5) USER MOD Single : A 60 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.8!) USER MOD Single : A 65 GLN : amide:sc= -2.22! K(o=-2.2!,f=-1.4) USER MOD Single : A 69 TYR OH : rot -133:sc= 1.19 USER MOD Single : A 70 HIS : no HD1:sc= -2.9 X(o=-2.9,f=-3.2!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.3) USER MOD Single : A 80 LYS NZ :NH3+ -129:sc= -0.313 (180deg=-3.43!) USER MOD Single : A 82 SER OG : rot -92:sc= 1.14 USER MOD Single : A 84 THR OG1 : rot -25:sc= 0.503 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0642 K(o=-0.064,f=-1.7!) USER MOD Single : A 95 SER OG : rot 31:sc= 0.989 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -15.031 -7.376 9.922 1.00 0.00 N ATOM 174 CA VAL A 14 -15.321 -6.118 9.245 1.00 0.00 C ATOM 175 C VAL A 14 -16.342 -6.316 8.129 1.00 0.00 C ATOM 176 O VAL A 14 -16.264 -7.280 7.366 1.00 0.00 O ATOM 177 CB VAL A 14 -14.045 -5.492 8.652 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.391 -4.286 7.792 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.077 -5.106 9.761 1.00 0.00 C ATOM 0 HA VAL A 14 -15.733 -5.443 9.995 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.559 -6.233 8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.477 -3.857 7.382 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.044 -4.596 6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.901 -3.539 8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.181 -4.665 9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.552 -4.382 10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.804 -5.994 10.331 1.00 0.00 H new ATOM 189 N HIS A 15 -17.299 -5.398 8.040 1.00 0.00 N ATOM 190 CA HIS A 15 -18.335 -5.471 7.016 1.00 0.00 C ATOM 191 C HIS A 15 -18.396 -4.177 6.211 1.00 0.00 C ATOM 192 O HIS A 15 -18.819 -3.138 6.720 1.00 0.00 O ATOM 193 CB HIS A 15 -19.695 -5.752 7.656 1.00 0.00 C ATOM 194 CG HIS A 15 -19.899 -7.190 8.023 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.273 -8.229 7.368 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.664 -7.759 8.984 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.645 -9.376 7.909 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.489 -9.118 8.892 1.00 0.00 N ATOM 0 H HIS A 15 -17.379 -4.595 8.664 1.00 0.00 H new ATOM 0 HA HIS A 15 -18.085 -6.288 6.339 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.800 -5.139 8.551 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.482 -5.446 6.966 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -21.295 -7.241 9.691 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.315 -10.357 7.600 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.938 -9.815 9.486 1.00 0.00 H new ATOM 206 N ILE A 16 -17.971 -4.246 4.954 1.00 0.00 N ATOM 207 CA ILE A 16 -17.978 -3.080 4.080 1.00 0.00 C ATOM 208 C ILE A 16 -19.394 -2.553 3.879 1.00 0.00 C ATOM 209 O ILE A 16 -20.141 -3.055 3.038 1.00 0.00 O ATOM 210 CB ILE A 16 -17.362 -3.403 2.706 1.00 0.00 C ATOM 211 CG1 ILE A 16 -15.952 -3.972 2.876 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.335 -2.158 1.832 1.00 0.00 C ATOM 213 CD1 ILE A 16 -14.966 -2.981 3.454 1.00 0.00 C ATOM 0 H ILE A 16 -17.617 -5.098 4.518 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.374 -2.315 4.569 1.00 0.00 H new ATOM 0 HB ILE A 16 -17.980 -4.155 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.998 -4.847 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.587 -4.312 1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -16.897 -2.402 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.352 -1.792 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.737 -1.386 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.988 -3.453 3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.891 -2.116 2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.308 -2.659 4.438 1.00 0.00 H new ATOM 225 N ILE A 17 -19.757 -1.536 4.654 1.00 0.00 N ATOM 226 CA ILE A 17 -21.083 -0.938 4.558 1.00 0.00 C ATOM 227 C ILE A 17 -21.245 -0.167 3.253 1.00 0.00 C ATOM 228 O ILE A 17 -22.066 -0.524 2.408 1.00 0.00 O ATOM 229 CB ILE A 17 -21.359 0.010 5.739 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.965 -0.655 7.059 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.825 0.416 5.761 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.244 0.201 8.275 1.00 0.00 C ATOM 0 H ILE A 17 -19.151 -1.109 5.355 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.802 -1.757 4.585 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.755 0.909 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.504 -1.597 7.157 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.903 -0.897 7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.004 1.086 6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.075 0.926 4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.447 -0.473 5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.940 -0.334 9.174 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.684 1.133 8.200 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.310 0.422 8.328 1.00 0.00 H new ATOM 244 N GLU A 18 -20.456 0.891 3.094 1.00 0.00 N ATOM 245 CA GLU A 18 -20.512 1.711 1.890 1.00 0.00 C ATOM 246 C GLU A 18 -19.149 1.769 1.207 1.00 0.00 C ATOM 247 O GLU A 18 -18.400 2.732 1.372 1.00 0.00 O ATOM 248 CB GLU A 18 -20.983 3.126 2.232 1.00 0.00 C ATOM 249 CG GLU A 18 -22.314 3.164 2.965 1.00 0.00 C ATOM 250 CD GLU A 18 -23.101 4.428 2.681 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.522 5.368 2.097 1.00 0.00 O ATOM 252 OE2 GLU A 18 -24.295 4.478 3.042 1.00 0.00 O ATOM 0 H GLU A 18 -19.771 1.200 3.784 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.224 1.254 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.226 3.614 2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.068 3.704 1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.909 2.298 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.136 3.085 4.037 1.00 0.00 H new ATOM 259 N ASP A 19 -18.834 0.731 0.440 1.00 0.00 N ATOM 260 CA ASP A 19 -17.561 0.663 -0.270 1.00 0.00 C ATOM 261 C ASP A 19 -17.337 1.919 -1.106 1.00 0.00 C ATOM 262 O ASP A 19 -18.290 2.580 -1.520 1.00 0.00 O ATOM 263 CB ASP A 19 -17.519 -0.576 -1.166 1.00 0.00 C ATOM 264 CG ASP A 19 -16.103 -0.990 -1.515 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.456 -0.279 -2.313 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.641 -2.024 -0.989 1.00 0.00 O ATOM 0 H ASP A 19 -19.442 -0.075 0.294 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.763 0.594 0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.022 -1.402 -0.663 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.073 -0.376 -2.083 1.00 0.00 H new ATOM 271 N LEU A 20 -16.072 2.242 -1.350 1.00 0.00 N ATOM 272 CA LEU A 20 -15.722 3.420 -2.136 1.00 0.00 C ATOM 273 C LEU A 20 -16.468 3.429 -3.466 1.00 0.00 C ATOM 274 O LEU A 20 -17.098 2.440 -3.841 1.00 0.00 O ATOM 275 CB LEU A 20 -14.213 3.462 -2.385 1.00 0.00 C ATOM 276 CG LEU A 20 -13.325 3.313 -1.149 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.092 2.484 -1.474 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.924 4.680 -0.613 1.00 0.00 C ATOM 0 H LEU A 20 -15.272 1.705 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.016 4.304 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.959 2.669 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.971 4.408 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.894 2.794 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.472 2.389 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.398 1.493 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.521 2.975 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.292 4.555 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.374 5.225 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.818 5.241 -0.341 1.00 0.00 H new ATOM 290 N GLU A 21 -16.391 4.551 -4.175 1.00 0.00 N ATOM 291 CA GLU A 21 -17.059 4.687 -5.464 1.00 0.00 C ATOM 292 C GLU A 21 -16.043 4.878 -6.586 1.00 0.00 C ATOM 293 O GLU A 21 -15.761 3.952 -7.346 1.00 0.00 O ATOM 294 CB GLU A 21 -18.033 5.867 -5.437 1.00 0.00 C ATOM 295 CG GLU A 21 -19.194 5.677 -4.475 1.00 0.00 C ATOM 296 CD GLU A 21 -20.447 6.405 -4.921 1.00 0.00 C ATOM 297 OE1 GLU A 21 -20.317 7.444 -5.603 1.00 0.00 O ATOM 298 OE2 GLU A 21 -21.556 5.937 -4.589 1.00 0.00 O ATOM 0 H GLU A 21 -15.873 5.378 -3.879 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.616 3.770 -5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.488 6.770 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.426 6.025 -6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.411 4.613 -4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.904 6.033 -3.487 1.00 0.00 H new ATOM 305 N ASP A 22 -15.497 6.085 -6.682 1.00 0.00 N ATOM 306 CA ASP A 22 -14.511 6.398 -7.710 1.00 0.00 C ATOM 307 C ASP A 22 -14.057 7.851 -7.603 1.00 0.00 C ATOM 308 O ASP A 22 -14.707 8.669 -6.952 1.00 0.00 O ATOM 309 CB ASP A 22 -15.091 6.133 -9.100 1.00 0.00 C ATOM 310 CG ASP A 22 -16.495 6.683 -9.256 1.00 0.00 C ATOM 311 OD1 ASP A 22 -16.650 7.922 -9.257 1.00 0.00 O ATOM 312 OD2 ASP A 22 -17.439 5.874 -9.377 1.00 0.00 O ATOM 0 H ASP A 22 -15.720 6.863 -6.061 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.645 5.754 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.443 6.582 -9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.102 5.059 -9.287 1.00 0.00 H new ATOM 317 N VAL A 23 -12.936 8.164 -8.245 1.00 0.00 N ATOM 318 CA VAL A 23 -12.395 9.518 -8.222 1.00 0.00 C ATOM 319 C VAL A 23 -11.649 9.833 -9.514 1.00 0.00 C ATOM 320 O VAL A 23 -11.017 8.959 -10.108 1.00 0.00 O ATOM 321 CB VAL A 23 -11.442 9.721 -7.030 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.894 11.140 -7.019 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.151 9.405 -5.722 1.00 0.00 C ATOM 0 H VAL A 23 -12.385 7.499 -8.787 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.242 10.196 -8.120 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.603 9.034 -7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.223 11.264 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.348 11.326 -7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.719 11.848 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.463 9.554 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.010 10.066 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.489 8.369 -5.732 1.00 0.00 H new ATOM 333 N ASP A 24 -11.727 11.088 -9.944 1.00 0.00 N ATOM 334 CA ASP A 24 -11.058 11.520 -11.166 1.00 0.00 C ATOM 335 C ASP A 24 -10.719 13.006 -11.103 1.00 0.00 C ATOM 336 O ASP A 24 -11.599 13.860 -11.216 1.00 0.00 O ATOM 337 CB ASP A 24 -11.940 11.237 -12.383 1.00 0.00 C ATOM 338 CG ASP A 24 -13.347 11.776 -12.217 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.136 11.156 -11.472 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.659 12.817 -12.831 1.00 0.00 O ATOM 0 H ASP A 24 -12.246 11.823 -9.465 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.129 10.957 -11.261 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.486 11.682 -13.268 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.984 10.161 -12.554 1.00 0.00 H new ATOM 345 N VAL A 25 -9.438 13.309 -10.920 1.00 0.00 N ATOM 346 CA VAL A 25 -8.982 14.692 -10.841 1.00 0.00 C ATOM 347 C VAL A 25 -7.564 14.834 -11.382 1.00 0.00 C ATOM 348 O VAL A 25 -6.831 13.852 -11.495 1.00 0.00 O ATOM 349 CB VAL A 25 -9.023 15.215 -9.393 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.412 15.038 -8.800 1.00 0.00 C ATOM 351 CG2 VAL A 25 -7.978 14.509 -8.543 1.00 0.00 C ATOM 0 H VAL A 25 -8.697 12.615 -10.824 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.662 15.285 -11.452 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.792 16.280 -9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.421 15.413 -7.777 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.136 15.593 -9.397 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.676 13.980 -8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.021 14.890 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.176 13.437 -8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.987 14.693 -8.958 1.00 0.00 H new ATOM 361 N GLN A 26 -7.184 16.064 -11.714 1.00 0.00 N ATOM 362 CA GLN A 26 -5.853 16.335 -12.244 1.00 0.00 C ATOM 363 C GLN A 26 -4.778 15.977 -11.223 1.00 0.00 C ATOM 364 O GLN A 26 -4.910 16.280 -10.038 1.00 0.00 O ATOM 365 CB GLN A 26 -5.728 17.807 -12.639 1.00 0.00 C ATOM 366 CG GLN A 26 -5.557 18.743 -11.453 1.00 0.00 C ATOM 367 CD GLN A 26 -6.181 20.104 -11.689 1.00 0.00 C ATOM 368 OE1 GLN A 26 -7.072 20.255 -12.525 1.00 0.00 O ATOM 369 NE2 GLN A 26 -5.715 21.105 -10.951 1.00 0.00 N ATOM 0 H GLN A 26 -7.779 16.888 -11.625 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.709 15.716 -13.129 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.876 17.924 -13.309 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.616 18.101 -13.198 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.007 18.290 -10.570 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.495 18.866 -11.242 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.975 20.935 -10.269 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.097 22.044 -11.066 1.00 0.00 H new ATOM 378 N GLU A 27 -3.715 15.330 -11.692 1.00 0.00 N ATOM 379 CA GLU A 27 -2.619 14.930 -10.818 1.00 0.00 C ATOM 380 C GLU A 27 -2.110 16.118 -10.005 1.00 0.00 C ATOM 381 O GLU A 27 -2.142 17.258 -10.465 1.00 0.00 O ATOM 382 CB GLU A 27 -1.474 14.333 -11.640 1.00 0.00 C ATOM 383 CG GLU A 27 -0.510 15.373 -12.186 1.00 0.00 C ATOM 384 CD GLU A 27 0.726 15.532 -11.322 1.00 0.00 C ATOM 385 OE1 GLU A 27 1.682 14.749 -11.502 1.00 0.00 O ATOM 386 OE2 GLU A 27 0.738 16.442 -10.466 1.00 0.00 O ATOM 0 H GLU A 27 -3.590 15.072 -12.671 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.995 14.174 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.921 13.628 -11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.892 13.766 -12.471 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.210 15.091 -13.195 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.021 16.333 -12.262 1.00 0.00 H new ATOM 393 N GLY A 28 -1.641 15.840 -8.792 1.00 0.00 N ATOM 394 CA GLY A 28 -1.133 16.894 -7.934 1.00 0.00 C ATOM 395 C GLY A 28 -2.197 17.450 -7.008 1.00 0.00 C ATOM 396 O GLY A 28 -1.882 18.089 -6.004 1.00 0.00 O ATOM 0 H GLY A 28 -1.604 14.904 -8.389 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.305 16.508 -7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.735 17.700 -8.550 1.00 0.00 H new ATOM 400 N SER A 29 -3.459 17.208 -7.346 1.00 0.00 N ATOM 401 CA SER A 29 -4.573 17.694 -6.540 1.00 0.00 C ATOM 402 C SER A 29 -4.830 16.769 -5.354 1.00 0.00 C ATOM 403 O SER A 29 -4.090 15.812 -5.127 1.00 0.00 O ATOM 404 CB SER A 29 -5.836 17.810 -7.395 1.00 0.00 C ATOM 405 OG SER A 29 -5.738 18.889 -8.308 1.00 0.00 O ATOM 0 H SER A 29 -3.736 16.678 -8.172 1.00 0.00 H new ATOM 0 HA SER A 29 -4.310 18.680 -6.158 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.995 16.881 -7.942 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.703 17.953 -6.750 1.00 0.00 H new ATOM 0 HG SER A 29 -6.635 19.145 -8.609 1.00 0.00 H new ATOM 411 N SER A 30 -5.885 17.063 -4.601 1.00 0.00 N ATOM 412 CA SER A 30 -6.239 16.260 -3.436 1.00 0.00 C ATOM 413 C SER A 30 -7.491 15.432 -3.707 1.00 0.00 C ATOM 414 O SER A 30 -8.600 15.962 -3.761 1.00 0.00 O ATOM 415 CB SER A 30 -6.463 17.161 -2.219 1.00 0.00 C ATOM 416 OG SER A 30 -6.965 18.428 -2.608 1.00 0.00 O ATOM 0 H SER A 30 -6.509 17.850 -4.776 1.00 0.00 H new ATOM 0 HA SER A 30 -5.413 15.580 -3.229 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.163 16.684 -1.533 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.525 17.288 -1.679 1.00 0.00 H new ATOM 0 HG SER A 30 -7.251 18.925 -1.813 1.00 0.00 H new ATOM 422 N ALA A 31 -7.304 14.127 -3.877 1.00 0.00 N ATOM 423 CA ALA A 31 -8.417 13.224 -4.140 1.00 0.00 C ATOM 424 C ALA A 31 -9.004 12.682 -2.841 1.00 0.00 C ATOM 425 O ALA A 31 -8.280 12.173 -1.984 1.00 0.00 O ATOM 426 CB ALA A 31 -7.968 12.079 -5.036 1.00 0.00 C ATOM 0 H ALA A 31 -6.392 13.672 -3.837 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.196 13.788 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.810 11.412 -5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.603 12.479 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.169 11.524 -4.545 1.00 0.00 H new ATOM 432 N THR A 32 -10.321 12.794 -2.699 1.00 0.00 N ATOM 433 CA THR A 32 -11.005 12.317 -1.504 1.00 0.00 C ATOM 434 C THR A 32 -11.651 10.957 -1.745 1.00 0.00 C ATOM 435 O THR A 32 -12.295 10.738 -2.772 1.00 0.00 O ATOM 436 CB THR A 32 -12.086 13.311 -1.040 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.490 14.578 -0.738 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.817 12.784 0.185 1.00 0.00 C ATOM 0 H THR A 32 -10.936 13.211 -3.398 1.00 0.00 H new ATOM 0 HA THR A 32 -10.249 12.224 -0.724 1.00 0.00 H new ATOM 0 HB THR A 32 -12.807 13.432 -1.849 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.184 15.205 -0.445 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.575 13.504 0.494 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.295 11.835 -0.057 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.106 12.636 0.997 1.00 0.00 H new ATOM 446 N PHE A 33 -11.475 10.047 -0.793 1.00 0.00 N ATOM 447 CA PHE A 33 -12.042 8.707 -0.903 1.00 0.00 C ATOM 448 C PHE A 33 -12.828 8.345 0.353 1.00 0.00 C ATOM 449 O PHE A 33 -12.256 7.908 1.352 1.00 0.00 O ATOM 450 CB PHE A 33 -10.933 7.680 -1.139 1.00 0.00 C ATOM 451 CG PHE A 33 -10.489 7.595 -2.571 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.152 6.773 -3.468 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.407 8.336 -3.020 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.746 6.693 -4.787 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.997 8.260 -4.337 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.666 7.437 -5.222 1.00 0.00 C ATOM 0 H PHE A 33 -10.945 10.212 0.063 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.725 8.696 -1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.076 7.934 -0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.283 6.699 -0.817 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.996 6.188 -3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.879 8.980 -2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.272 6.050 -5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.154 8.844 -4.675 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.346 7.375 -6.252 1.00 0.00 H new ATOM 466 N ARG A 34 -14.143 8.530 0.295 1.00 0.00 N ATOM 467 CA ARG A 34 -15.008 8.225 1.428 1.00 0.00 C ATOM 468 C ARG A 34 -15.476 6.773 1.379 1.00 0.00 C ATOM 469 O ARG A 34 -15.761 6.238 0.307 1.00 0.00 O ATOM 470 CB ARG A 34 -16.218 9.161 1.440 1.00 0.00 C ATOM 471 CG ARG A 34 -16.071 10.333 2.397 1.00 0.00 C ATOM 472 CD ARG A 34 -17.272 11.264 2.326 1.00 0.00 C ATOM 473 NE ARG A 34 -17.281 12.052 1.096 1.00 0.00 N ATOM 474 CZ ARG A 34 -18.145 13.034 0.859 1.00 0.00 C ATOM 475 NH1 ARG A 34 -19.063 13.345 1.763 1.00 0.00 N ATOM 476 NH2 ARG A 34 -18.090 13.706 -0.283 1.00 0.00 N ATOM 0 H ARG A 34 -14.632 8.890 -0.525 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.433 8.374 2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.381 9.544 0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.106 8.590 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -15.957 9.961 3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.164 10.888 2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -18.189 10.678 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.263 11.934 3.186 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.587 11.837 0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.107 12.830 2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.725 14.099 1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.384 13.469 -0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -18.753 14.459 -0.464 1.00 0.00 H new ATOM 490 N CYS A 35 -15.552 6.142 2.545 1.00 0.00 N ATOM 491 CA CYS A 35 -15.984 4.752 2.635 1.00 0.00 C ATOM 492 C CYS A 35 -16.358 4.391 4.069 1.00 0.00 C ATOM 493 O CYS A 35 -15.573 4.591 4.996 1.00 0.00 O ATOM 494 CB CYS A 35 -14.880 3.819 2.133 1.00 0.00 C ATOM 495 SG CYS A 35 -13.253 4.149 2.850 1.00 0.00 S ATOM 0 H CYS A 35 -15.320 6.571 3.441 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.866 4.630 2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.161 2.789 2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.812 3.905 1.049 1.00 0.00 H new ATOM 0 HG CYS A 35 -13.207 5.377 3.274 1.00 0.00 H new ATOM 501 N ARG A 36 -17.563 3.859 4.244 1.00 0.00 N ATOM 502 CA ARG A 36 -18.043 3.472 5.566 1.00 0.00 C ATOM 503 C ARG A 36 -17.859 1.975 5.795 1.00 0.00 C ATOM 504 O ARG A 36 -18.461 1.153 5.104 1.00 0.00 O ATOM 505 CB ARG A 36 -19.518 3.846 5.725 1.00 0.00 C ATOM 506 CG ARG A 36 -20.125 3.383 7.040 1.00 0.00 C ATOM 507 CD ARG A 36 -21.221 4.327 7.510 1.00 0.00 C ATOM 508 NE ARG A 36 -22.260 4.505 6.501 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.486 4.937 6.776 1.00 0.00 C ATOM 510 NH1 ARG A 36 -23.823 5.234 8.023 1.00 0.00 N ATOM 511 NH2 ARG A 36 -24.377 5.074 5.802 1.00 0.00 N ATOM 0 H ARG A 36 -18.225 3.686 3.488 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.456 4.010 6.310 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.620 4.929 5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.085 3.413 4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -20.534 2.380 6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.346 3.321 7.800 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -21.667 3.937 8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -20.785 5.295 7.756 1.00 0.00 H new ATOM 0 HE ARG A 36 -22.033 4.286 5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -23.141 5.131 8.774 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -24.765 5.565 8.232 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -24.121 4.848 4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -25.318 5.406 6.014 1.00 0.00 H new ATOM 525 N ILE A 37 -17.023 1.629 6.768 1.00 0.00 N ATOM 526 CA ILE A 37 -16.760 0.232 7.088 1.00 0.00 C ATOM 527 C ILE A 37 -16.980 -0.043 8.572 1.00 0.00 C ATOM 528 O ILE A 37 -16.486 0.690 9.429 1.00 0.00 O ATOM 529 CB ILE A 37 -15.323 -0.172 6.710 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.311 0.646 7.516 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.095 0.016 5.217 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.781 -0.078 8.733 1.00 0.00 C ATOM 0 H ILE A 37 -16.516 2.297 7.348 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.461 -0.363 6.503 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.183 -1.226 6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.475 0.913 6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.779 1.578 7.833 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -14.075 -0.274 4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.796 -0.606 4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.250 1.062 4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.069 0.561 9.255 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.608 -0.322 9.400 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.283 -0.996 8.422 1.00 0.00 H new ATOM 544 N SER A 38 -17.722 -1.105 8.868 1.00 0.00 N ATOM 545 CA SER A 38 -18.009 -1.476 10.248 1.00 0.00 C ATOM 546 C SER A 38 -16.972 -2.464 10.772 1.00 0.00 C ATOM 547 O SER A 38 -16.383 -3.243 10.021 1.00 0.00 O ATOM 548 CB SER A 38 -19.409 -2.085 10.355 1.00 0.00 C ATOM 549 OG SER A 38 -19.474 -3.034 11.405 1.00 0.00 O ATOM 0 H SER A 38 -18.135 -1.724 8.170 1.00 0.00 H new ATOM 0 HA SER A 38 -17.966 -0.573 10.857 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.140 -1.295 10.529 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.674 -2.563 9.412 1.00 0.00 H new ATOM 0 HG SER A 38 -20.379 -3.407 11.453 1.00 0.00 H new ATOM 555 N PRO A 39 -16.740 -2.434 12.093 1.00 0.00 N ATOM 556 CA PRO A 39 -17.434 -1.512 12.997 1.00 0.00 C ATOM 557 C PRO A 39 -17.004 -0.064 12.789 1.00 0.00 C ATOM 558 O PRO A 39 -15.839 0.213 12.505 1.00 0.00 O ATOM 559 CB PRO A 39 -17.019 -1.999 14.387 1.00 0.00 C ATOM 560 CG PRO A 39 -15.711 -2.681 14.175 1.00 0.00 C ATOM 561 CD PRO A 39 -15.784 -3.297 12.806 1.00 0.00 C ATOM 0 HA PRO A 39 -18.512 -1.515 12.834 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -16.923 -1.168 15.085 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.759 -2.682 14.804 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.886 -1.972 14.241 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.539 -3.441 14.937 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.810 -3.306 12.317 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.129 -4.330 12.848 1.00 0.00 H new ATOM 569 N ALA A 40 -17.952 0.857 12.934 1.00 0.00 N ATOM 570 CA ALA A 40 -17.670 2.277 12.764 1.00 0.00 C ATOM 571 C ALA A 40 -16.489 2.709 13.627 1.00 0.00 C ATOM 572 O ALA A 40 -15.796 3.673 13.307 1.00 0.00 O ATOM 573 CB ALA A 40 -18.903 3.103 13.101 1.00 0.00 C ATOM 0 H ALA A 40 -18.922 0.645 13.169 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.405 2.448 11.721 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.679 4.162 12.970 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.722 2.821 12.439 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.193 2.919 14.136 1.00 0.00 H new ATOM 579 N ASN A 41 -16.267 1.989 14.721 1.00 0.00 N ATOM 580 CA ASN A 41 -15.170 2.299 15.631 1.00 0.00 C ATOM 581 C ASN A 41 -13.951 1.433 15.327 1.00 0.00 C ATOM 582 O ASN A 41 -13.204 1.057 16.231 1.00 0.00 O ATOM 583 CB ASN A 41 -15.608 2.091 17.082 1.00 0.00 C ATOM 584 CG ASN A 41 -16.584 3.154 17.548 1.00 0.00 C ATOM 585 OD1 ASN A 41 -16.939 4.061 16.795 1.00 0.00 O ATOM 586 ND2 ASN A 41 -17.023 3.047 18.797 1.00 0.00 N ATOM 0 H ASN A 41 -16.832 1.187 14.999 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.897 3.344 15.488 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.069 1.109 17.182 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.730 2.099 17.728 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.681 3.733 19.167 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -16.702 2.279 19.386 1.00 0.00 H new ATOM 593 N TYR A 42 -13.756 1.123 14.051 1.00 0.00 N ATOM 594 CA TYR A 42 -12.628 0.300 13.628 1.00 0.00 C ATOM 595 C TYR A 42 -11.425 1.168 13.270 1.00 0.00 C ATOM 596 O TYR A 42 -11.549 2.145 12.532 1.00 0.00 O ATOM 597 CB TYR A 42 -13.022 -0.565 12.429 1.00 0.00 C ATOM 598 CG TYR A 42 -11.953 -1.551 12.016 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.840 -1.137 11.295 1.00 0.00 C ATOM 600 CD2 TYR A 42 -12.054 -2.896 12.349 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.861 -2.034 10.915 1.00 0.00 C ATOM 602 CE2 TYR A 42 -11.079 -3.800 11.975 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.985 -3.364 11.257 1.00 0.00 C ATOM 604 OH TYR A 42 -9.011 -4.261 10.882 1.00 0.00 O ATOM 0 H TYR A 42 -14.364 1.429 13.291 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.351 -0.348 14.460 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.934 -1.111 12.670 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.252 0.084 11.584 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.739 -0.096 11.027 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.910 -3.241 12.910 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -9.003 -1.696 10.353 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.173 -4.842 12.243 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.250 -5.156 11.202 1.00 0.00 H new ATOM 614 N GLU A 43 -10.262 0.801 13.798 1.00 0.00 N ATOM 615 CA GLU A 43 -9.036 1.546 13.534 1.00 0.00 C ATOM 616 C GLU A 43 -7.854 0.927 14.275 1.00 0.00 C ATOM 617 O GLU A 43 -8.015 0.190 15.248 1.00 0.00 O ATOM 618 CB GLU A 43 -9.202 3.009 13.949 1.00 0.00 C ATOM 619 CG GLU A 43 -10.086 3.199 15.171 1.00 0.00 C ATOM 620 CD GLU A 43 -9.819 4.509 15.886 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.522 5.509 15.199 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.906 4.535 17.131 1.00 0.00 O ATOM 0 H GLU A 43 -10.143 -0.006 14.410 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.837 1.500 12.463 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.219 3.434 14.153 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.625 3.569 13.115 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.132 3.162 14.867 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.925 2.372 15.863 1.00 0.00 H new ATOM 629 N PRO A 44 -6.636 1.232 13.804 1.00 0.00 N ATOM 630 CA PRO A 44 -6.431 2.108 12.646 1.00 0.00 C ATOM 631 C PRO A 44 -6.880 1.458 11.342 1.00 0.00 C ATOM 632 O PRO A 44 -7.302 0.301 11.326 1.00 0.00 O ATOM 633 CB PRO A 44 -4.917 2.336 12.637 1.00 0.00 C ATOM 634 CG PRO A 44 -4.351 1.144 13.329 1.00 0.00 C ATOM 635 CD PRO A 44 -5.364 0.746 14.366 1.00 0.00 C ATOM 0 HA PRO A 44 -7.013 3.026 12.721 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.535 2.422 11.620 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.652 3.258 13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.174 0.331 12.624 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.392 1.380 13.791 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.379 -0.333 14.520 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.151 1.203 15.332 1.00 0.00 H new ATOM 643 N VAL A 45 -6.786 2.209 10.249 1.00 0.00 N ATOM 644 CA VAL A 45 -7.181 1.705 8.939 1.00 0.00 C ATOM 645 C VAL A 45 -6.008 1.726 7.966 1.00 0.00 C ATOM 646 O VAL A 45 -5.138 2.595 8.043 1.00 0.00 O ATOM 647 CB VAL A 45 -8.340 2.528 8.347 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.642 2.212 9.067 1.00 0.00 C ATOM 649 CG2 VAL A 45 -8.028 4.016 8.420 1.00 0.00 C ATOM 0 H VAL A 45 -6.440 3.168 10.245 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.512 0.676 9.082 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.458 2.255 7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.449 2.803 8.635 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.870 1.152 8.958 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.541 2.454 10.125 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.858 4.583 7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.883 4.307 9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.120 4.226 7.855 1.00 0.00 H new ATOM 659 N HIS A 46 -5.990 0.765 7.048 1.00 0.00 N ATOM 660 CA HIS A 46 -4.923 0.674 6.057 1.00 0.00 C ATOM 661 C HIS A 46 -5.427 1.086 4.677 1.00 0.00 C ATOM 662 O HIS A 46 -6.585 0.852 4.333 1.00 0.00 O ATOM 663 CB HIS A 46 -4.367 -0.750 6.005 1.00 0.00 C ATOM 664 CG HIS A 46 -3.955 -1.281 7.343 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.295 -0.520 8.285 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.116 -2.506 7.897 1.00 0.00 C ATOM 667 CE1 HIS A 46 -3.065 -1.254 9.359 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.554 -2.464 9.149 1.00 0.00 N ATOM 0 H HIS A 46 -6.702 0.038 6.969 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.127 1.357 6.353 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.122 -1.410 5.578 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.508 -0.772 5.334 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.597 -3.358 7.439 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.563 -0.922 10.256 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.519 -3.240 9.810 1.00 0.00 H new ATOM 676 N TRP A 47 -4.550 1.702 3.893 1.00 0.00 N ATOM 677 CA TRP A 47 -4.906 2.148 2.551 1.00 0.00 C ATOM 678 C TRP A 47 -3.797 1.824 1.557 1.00 0.00 C ATOM 679 O TRP A 47 -2.620 2.073 1.822 1.00 0.00 O ATOM 680 CB TRP A 47 -5.187 3.652 2.549 1.00 0.00 C ATOM 681 CG TRP A 47 -6.437 4.024 3.287 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.652 3.931 4.633 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.644 4.545 2.721 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.921 4.364 4.937 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.549 4.746 3.781 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.048 4.863 1.421 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.832 5.250 3.580 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.321 5.362 1.223 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.201 5.552 2.297 1.00 0.00 C ATOM 0 H TRP A 47 -3.587 1.904 4.163 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.807 1.617 2.246 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.341 4.173 2.997 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.265 3.998 1.518 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.931 3.571 5.352 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.329 4.396 5.871 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.377 4.721 0.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.511 5.397 4.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.644 5.610 0.223 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.189 5.944 2.109 1.00 0.00 H new ATOM 700 N PHE A 48 -4.178 1.269 0.411 1.00 0.00 N ATOM 701 CA PHE A 48 -3.214 0.910 -0.623 1.00 0.00 C ATOM 702 C PHE A 48 -3.660 1.430 -1.986 1.00 0.00 C ATOM 703 O PHE A 48 -4.831 1.756 -2.186 1.00 0.00 O ATOM 704 CB PHE A 48 -3.034 -0.608 -0.677 1.00 0.00 C ATOM 705 CG PHE A 48 -2.518 -1.198 0.604 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.369 -1.408 1.677 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.182 -1.540 0.736 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.898 -1.951 2.858 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.705 -2.083 1.914 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.564 -2.288 2.977 1.00 0.00 C ATOM 0 H PHE A 48 -5.148 1.058 0.175 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.260 1.373 -0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.990 -1.070 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.345 -0.855 -1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.413 -1.144 1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.506 -1.381 -0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.572 -2.111 3.686 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.338 -2.347 2.004 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.193 -2.711 3.899 1.00 0.00 H new ATOM 720 N LEU A 49 -2.718 1.506 -2.920 1.00 0.00 N ATOM 721 CA LEU A 49 -3.013 1.988 -4.265 1.00 0.00 C ATOM 722 C LEU A 49 -2.272 1.162 -5.313 1.00 0.00 C ATOM 723 O LEU A 49 -1.065 1.316 -5.499 1.00 0.00 O ATOM 724 CB LEU A 49 -2.628 3.462 -4.396 1.00 0.00 C ATOM 725 CG LEU A 49 -2.904 4.110 -5.754 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.720 3.914 -6.689 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.172 3.538 -6.370 1.00 0.00 C ATOM 0 H LEU A 49 -1.745 1.240 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.084 1.883 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.163 4.026 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.564 3.560 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.048 5.180 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.934 4.381 -7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.832 4.372 -6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.544 2.848 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.353 4.011 -7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.057 2.463 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.017 3.730 -5.708 1.00 0.00 H new ATOM 739 N ASP A 50 -3.004 0.289 -5.996 1.00 0.00 N ATOM 740 CA ASP A 50 -2.417 -0.559 -7.028 1.00 0.00 C ATOM 741 C ASP A 50 -1.469 -1.585 -6.414 1.00 0.00 C ATOM 742 O ASP A 50 -1.812 -2.759 -6.276 1.00 0.00 O ATOM 743 CB ASP A 50 -1.671 0.294 -8.054 1.00 0.00 C ATOM 744 CG ASP A 50 -2.355 0.303 -9.407 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.602 0.252 -9.440 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.644 0.361 -10.432 1.00 0.00 O ATOM 0 H ASP A 50 -4.004 0.150 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.225 -1.092 -7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.592 1.316 -7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.655 -0.084 -8.166 1.00 0.00 H new ATOM 751 N LYS A 51 -0.274 -1.133 -6.048 1.00 0.00 N ATOM 752 CA LYS A 51 0.725 -2.011 -5.449 1.00 0.00 C ATOM 753 C LYS A 51 1.676 -1.221 -4.555 1.00 0.00 C ATOM 754 O LYS A 51 2.884 -1.463 -4.550 1.00 0.00 O ATOM 755 CB LYS A 51 1.516 -2.736 -6.540 1.00 0.00 C ATOM 756 CG LYS A 51 2.189 -1.799 -7.528 1.00 0.00 C ATOM 757 CD LYS A 51 1.626 -1.969 -8.929 1.00 0.00 C ATOM 758 CE LYS A 51 1.983 -3.327 -9.512 1.00 0.00 C ATOM 759 NZ LYS A 51 3.072 -3.228 -10.522 1.00 0.00 N ATOM 0 H LYS A 51 0.026 -0.164 -6.156 1.00 0.00 H new ATOM 0 HA LYS A 51 0.206 -2.748 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.275 -3.362 -6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.844 -3.401 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.053 -0.767 -7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.262 -1.991 -7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.542 -1.857 -8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.013 -1.181 -9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.292 -3.997 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.099 -3.768 -9.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.286 -4.175 -10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.768 -2.609 -11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.924 -2.831 -10.076 1.00 0.00 H new ATOM 773 N THR A 52 1.124 -0.278 -3.799 1.00 0.00 N ATOM 774 CA THR A 52 1.923 0.546 -2.901 1.00 0.00 C ATOM 775 C THR A 52 1.106 0.998 -1.696 1.00 0.00 C ATOM 776 O THR A 52 -0.004 1.513 -1.826 1.00 0.00 O ATOM 777 CB THR A 52 2.480 1.788 -3.624 1.00 0.00 C ATOM 778 OG1 THR A 52 3.141 1.395 -4.832 1.00 0.00 O ATOM 779 CG2 THR A 52 3.452 2.543 -2.731 1.00 0.00 C ATOM 0 H THR A 52 0.126 -0.066 -3.791 1.00 0.00 H new ATOM 0 HA THR A 52 2.755 -0.072 -2.562 1.00 0.00 H new ATOM 0 HB THR A 52 1.645 2.447 -3.864 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.491 2.189 -5.287 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.832 3.415 -3.263 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.939 2.865 -1.825 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.283 1.890 -2.464 1.00 0.00 H new ATOM 787 N PRO A 53 1.667 0.803 -0.493 1.00 0.00 N ATOM 788 CA PRO A 53 1.007 1.185 0.759 1.00 0.00 C ATOM 789 C PRO A 53 0.926 2.698 0.934 1.00 0.00 C ATOM 790 O PRO A 53 1.788 3.436 0.453 1.00 0.00 O ATOM 791 CB PRO A 53 1.906 0.570 1.835 1.00 0.00 C ATOM 792 CG PRO A 53 3.246 0.463 1.194 1.00 0.00 C ATOM 793 CD PRO A 53 2.988 0.195 -0.263 1.00 0.00 C ATOM 0 HA PRO A 53 -0.026 0.839 0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.942 1.197 2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.538 -0.407 2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.817 1.382 1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.829 -0.342 1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.753 0.645 -0.896 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.982 -0.873 -0.480 1.00 0.00 H new ATOM 801 N LEU A 54 -0.113 3.154 1.624 1.00 0.00 N ATOM 802 CA LEU A 54 -0.306 4.580 1.863 1.00 0.00 C ATOM 803 C LEU A 54 -0.474 4.865 3.352 1.00 0.00 C ATOM 804 O LEU A 54 -1.232 4.184 4.043 1.00 0.00 O ATOM 805 CB LEU A 54 -1.529 5.085 1.094 1.00 0.00 C ATOM 806 CG LEU A 54 -1.458 4.972 -0.429 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.844 4.744 -1.013 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.823 6.219 -1.027 1.00 0.00 C ATOM 0 H LEU A 54 -0.835 2.557 2.028 1.00 0.00 H new ATOM 0 HA LEU A 54 0.581 5.106 1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.403 4.533 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.690 6.131 1.354 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.835 4.114 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.773 4.666 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.262 3.822 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.491 5.581 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.781 6.121 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.420 7.093 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.187 6.338 -0.634 1.00 0.00 H new ATOM 820 N HIS A 55 0.236 5.878 3.839 1.00 0.00 N ATOM 821 CA HIS A 55 0.163 6.255 5.246 1.00 0.00 C ATOM 822 C HIS A 55 0.017 7.767 5.396 1.00 0.00 C ATOM 823 O HIS A 55 0.475 8.531 4.547 1.00 0.00 O ATOM 824 CB HIS A 55 1.410 5.775 5.989 1.00 0.00 C ATOM 825 CG HIS A 55 1.764 4.348 5.704 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.014 3.282 6.153 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.796 3.814 5.010 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.570 2.154 5.748 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.653 2.449 5.052 1.00 0.00 N ATOM 0 H HIS A 55 0.868 6.452 3.281 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.716 5.778 5.680 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.252 6.411 5.717 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.253 5.895 7.061 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.585 4.360 4.515 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.201 1.159 5.952 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.281 1.773 4.617 1.00 0.00 H new ATOM 837 N ALA A 56 -0.623 8.190 6.481 1.00 0.00 N ATOM 838 CA ALA A 56 -0.828 9.609 6.743 1.00 0.00 C ATOM 839 C ALA A 56 0.503 10.348 6.834 1.00 0.00 C ATOM 840 O ALA A 56 1.414 9.919 7.541 1.00 0.00 O ATOM 841 CB ALA A 56 -1.629 9.799 8.022 1.00 0.00 C ATOM 0 H ALA A 56 -1.009 7.570 7.193 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.391 10.030 5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.775 10.864 8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.599 9.312 7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.088 9.357 8.859 1.00 0.00 H new ATOM 847 N ASN A 57 0.608 11.460 6.114 1.00 0.00 N ATOM 848 CA ASN A 57 1.829 12.258 6.114 1.00 0.00 C ATOM 849 C ASN A 57 1.525 13.717 5.786 1.00 0.00 C ATOM 850 O ASN A 57 0.364 14.112 5.691 1.00 0.00 O ATOM 851 CB ASN A 57 2.831 11.694 5.104 1.00 0.00 C ATOM 852 CG ASN A 57 3.255 10.278 5.440 1.00 0.00 C ATOM 853 OD1 ASN A 57 2.949 9.336 4.708 1.00 0.00 O ATOM 854 ND2 ASN A 57 3.964 10.121 6.552 1.00 0.00 N ATOM 0 H ASN A 57 -0.137 11.829 5.523 1.00 0.00 H new ATOM 0 HA ASN A 57 2.264 12.212 7.112 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.388 11.711 4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.711 12.336 5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.278 9.191 6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.195 10.930 7.128 1.00 0.00 H new ATOM 861 N GLU A 58 2.577 14.510 5.614 1.00 0.00 N ATOM 862 CA GLU A 58 2.423 15.925 5.297 1.00 0.00 C ATOM 863 C GLU A 58 1.522 16.115 4.080 1.00 0.00 C ATOM 864 O GLU A 58 0.865 17.146 3.934 1.00 0.00 O ATOM 865 CB GLU A 58 3.788 16.565 5.039 1.00 0.00 C ATOM 866 CG GLU A 58 3.704 17.973 4.473 1.00 0.00 C ATOM 867 CD GLU A 58 4.673 18.929 5.140 1.00 0.00 C ATOM 868 OE1 GLU A 58 4.547 19.145 6.364 1.00 0.00 O ATOM 869 OE2 GLU A 58 5.558 19.461 4.438 1.00 0.00 O ATOM 0 H GLU A 58 3.545 14.197 5.689 1.00 0.00 H new ATOM 0 HA GLU A 58 1.957 16.414 6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.350 16.591 5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.349 15.937 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.908 17.943 3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.688 18.349 4.593 1.00 0.00 H new ATOM 876 N LEU A 59 1.497 15.112 3.208 1.00 0.00 N ATOM 877 CA LEU A 59 0.678 15.167 2.002 1.00 0.00 C ATOM 878 C LEU A 59 -0.529 14.242 2.121 1.00 0.00 C ATOM 879 O LEU A 59 -1.637 14.598 1.724 1.00 0.00 O ATOM 880 CB LEU A 59 1.511 14.783 0.778 1.00 0.00 C ATOM 881 CG LEU A 59 2.834 15.530 0.606 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.678 14.877 -0.479 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.581 16.994 0.278 1.00 0.00 C ATOM 0 H LEU A 59 2.034 14.251 3.314 1.00 0.00 H new ATOM 0 HA LEU A 59 0.319 16.189 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.724 13.715 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.906 14.946 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 59 3.383 15.479 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.616 15.422 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.889 13.844 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.135 14.897 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.534 17.510 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.011 17.066 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.017 17.456 1.088 1.00 0.00 H new ATOM 895 N ASN A 60 -0.305 13.054 2.673 1.00 0.00 N ATOM 896 CA ASN A 60 -1.374 12.077 2.846 1.00 0.00 C ATOM 897 C ASN A 60 -2.250 12.436 4.043 1.00 0.00 C ATOM 898 O ASN A 60 -1.747 12.695 5.136 1.00 0.00 O ATOM 899 CB ASN A 60 -0.789 10.676 3.029 1.00 0.00 C ATOM 900 CG ASN A 60 0.190 10.310 1.931 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.281 10.874 1.843 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.196 9.361 1.086 1.00 0.00 N ATOM 0 H ASN A 60 0.607 12.745 3.008 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.993 12.090 1.949 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.286 10.619 3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.599 9.947 3.048 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.421 9.073 0.327 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.109 8.920 1.197 1.00 0.00 H new ATOM 909 N GLU A 61 -3.561 12.447 3.828 1.00 0.00 N ATOM 910 CA GLU A 61 -4.506 12.774 4.889 1.00 0.00 C ATOM 911 C GLU A 61 -5.533 11.659 5.066 1.00 0.00 C ATOM 912 O GLU A 61 -6.159 11.219 4.102 1.00 0.00 O ATOM 913 CB GLU A 61 -5.217 14.093 4.581 1.00 0.00 C ATOM 914 CG GLU A 61 -5.452 14.959 5.807 1.00 0.00 C ATOM 915 CD GLU A 61 -6.771 14.657 6.491 1.00 0.00 C ATOM 916 OE1 GLU A 61 -7.468 13.719 6.050 1.00 0.00 O ATOM 917 OE2 GLU A 61 -7.107 15.359 7.469 1.00 0.00 O ATOM 0 H GLU A 61 -3.993 12.233 2.929 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.946 12.880 5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.625 14.655 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.176 13.878 4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.637 14.808 6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.431 16.009 5.515 1.00 0.00 H new ATOM 924 N ILE A 62 -5.699 11.208 6.305 1.00 0.00 N ATOM 925 CA ILE A 62 -6.650 10.145 6.608 1.00 0.00 C ATOM 926 C ILE A 62 -7.512 10.507 7.813 1.00 0.00 C ATOM 927 O ILE A 62 -7.125 10.277 8.958 1.00 0.00 O ATOM 928 CB ILE A 62 -5.933 8.811 6.887 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.129 8.373 5.661 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.940 7.739 7.276 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.751 7.848 5.998 1.00 0.00 C ATOM 0 H ILE A 62 -5.188 11.561 7.114 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.286 10.030 5.730 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.244 8.954 7.719 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.684 7.599 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.030 9.219 4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.418 6.802 7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.473 8.050 8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.652 7.596 6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.239 7.556 5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.178 8.627 6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.842 6.982 6.654 1.00 0.00 H new ATOM 943 N ASP A 63 -8.684 11.072 7.545 1.00 0.00 N ATOM 944 CA ASP A 63 -9.605 11.463 8.607 1.00 0.00 C ATOM 945 C ASP A 63 -10.439 10.273 9.069 1.00 0.00 C ATOM 946 O ASP A 63 -10.253 9.151 8.597 1.00 0.00 O ATOM 947 CB ASP A 63 -10.521 12.589 8.127 1.00 0.00 C ATOM 948 CG ASP A 63 -10.749 13.644 9.192 1.00 0.00 C ATOM 949 OD1 ASP A 63 -9.800 13.937 9.950 1.00 0.00 O ATOM 950 OD2 ASP A 63 -11.875 14.177 9.268 1.00 0.00 O ATOM 0 H ASP A 63 -9.019 11.270 6.602 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.016 11.820 9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.085 13.057 7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.480 12.169 7.825 1.00 0.00 H new ATOM 955 N ALA A 64 -11.359 10.524 9.994 1.00 0.00 N ATOM 956 CA ALA A 64 -12.222 9.474 10.519 1.00 0.00 C ATOM 957 C ALA A 64 -13.603 10.020 10.865 1.00 0.00 C ATOM 958 O ALA A 64 -13.971 10.105 12.036 1.00 0.00 O ATOM 959 CB ALA A 64 -11.586 8.829 11.742 1.00 0.00 C ATOM 0 H ALA A 64 -11.526 11.447 10.396 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.343 8.717 9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.242 8.047 12.123 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.625 8.394 11.466 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.435 9.584 12.514 1.00 0.00 H new ATOM 965 N GLN A 65 -14.363 10.389 9.838 1.00 0.00 N ATOM 966 CA GLN A 65 -15.703 10.929 10.035 1.00 0.00 C ATOM 967 C GLN A 65 -16.540 10.002 10.910 1.00 0.00 C ATOM 968 O GLN A 65 -16.235 8.820 11.074 1.00 0.00 O ATOM 969 CB GLN A 65 -16.394 11.138 8.687 1.00 0.00 C ATOM 970 CG GLN A 65 -16.146 12.511 8.083 1.00 0.00 C ATOM 971 CD GLN A 65 -16.678 12.631 6.668 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.711 12.053 6.330 1.00 0.00 O ATOM 973 NE2 GLN A 65 -15.973 13.385 5.833 1.00 0.00 N ATOM 0 H GLN A 65 -14.074 10.324 8.862 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.610 11.890 10.541 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -16.049 10.375 7.989 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.467 10.994 8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.616 13.269 8.709 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.075 12.716 8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.122 13.846 6.156 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.282 13.504 4.868 1.00 0.00 H new ATOM 982 N PRO A 66 -17.620 10.548 11.488 1.00 0.00 N ATOM 983 CA PRO A 66 -18.524 9.787 12.356 1.00 0.00 C ATOM 984 C PRO A 66 -19.337 8.755 11.584 1.00 0.00 C ATOM 985 O PRO A 66 -19.863 9.042 10.509 1.00 0.00 O ATOM 986 CB PRO A 66 -19.442 10.863 12.942 1.00 0.00 C ATOM 987 CG PRO A 66 -19.421 11.965 11.940 1.00 0.00 C ATOM 988 CD PRO A 66 -18.044 11.950 11.337 1.00 0.00 C ATOM 0 HA PRO A 66 -17.981 9.215 13.108 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.453 10.483 13.091 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.083 11.204 13.913 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.183 11.812 11.176 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.630 12.925 12.412 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.060 12.254 10.290 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.370 12.632 11.857 1.00 0.00 H new ATOM 996 N GLY A 67 -19.438 7.551 12.139 1.00 0.00 N ATOM 997 CA GLY A 67 -20.190 6.494 11.488 1.00 0.00 C ATOM 998 C GLY A 67 -19.293 5.487 10.795 1.00 0.00 C ATOM 999 O GLY A 67 -19.775 4.530 10.191 1.00 0.00 O ATOM 0 H GLY A 67 -19.012 7.289 13.028 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.804 5.980 12.228 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.870 6.933 10.758 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.984 5.706 10.879 1.00 0.00 N ATOM 1004 CA GLY A 68 -17.040 4.803 10.248 1.00 0.00 C ATOM 1005 C GLY A 68 -16.615 5.277 8.872 1.00 0.00 C ATOM 1006 O GLY A 68 -16.075 4.504 8.081 1.00 0.00 O ATOM 0 H GLY A 68 -17.561 6.492 11.372 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.159 4.702 10.882 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.489 3.813 10.165 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.860 6.550 8.586 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.503 7.126 7.294 1.00 0.00 C ATOM 1012 C TYR A 69 -15.031 7.525 7.264 1.00 0.00 C ATOM 1013 O TYR A 69 -14.645 8.562 7.805 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.379 8.343 6.995 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.611 8.017 6.182 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.771 7.561 6.796 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -18.616 8.165 4.801 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.900 7.261 6.057 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -19.740 7.869 4.054 1.00 0.00 C ATOM 1020 CZ TYR A 69 -20.879 7.417 4.687 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.001 7.120 3.947 1.00 0.00 O ATOM 0 H TYR A 69 -17.304 7.204 9.231 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.671 6.369 6.528 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.685 8.800 7.936 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.786 9.084 6.459 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.791 7.439 7.869 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.725 8.518 4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.793 6.907 6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -19.727 7.991 2.981 1.00 0.00 H new ATOM 0 HH TYR A 69 -21.748 6.572 3.175 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.212 6.693 6.627 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.781 6.959 6.524 1.00 0.00 C ATOM 1033 C HIS A 70 -12.466 7.754 5.261 1.00 0.00 C ATOM 1034 O HIS A 70 -12.494 7.217 4.153 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.997 5.646 6.524 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.099 4.887 7.811 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.506 5.308 8.982 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.733 3.728 8.106 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.769 4.440 9.943 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.512 3.471 9.437 1.00 0.00 N ATOM 0 H HIS A 70 -14.514 5.830 6.175 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.483 7.552 7.388 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.359 5.017 5.711 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.948 5.859 6.320 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.306 3.119 7.422 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.434 4.510 10.967 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.864 2.664 9.951 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.166 9.037 5.434 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.845 9.907 4.309 1.00 0.00 C ATOM 1050 C VAL A 71 -10.342 9.946 4.056 1.00 0.00 C ATOM 1051 O VAL A 71 -9.550 10.111 4.984 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.353 11.341 4.545 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.195 12.178 3.284 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.802 11.324 5.006 1.00 0.00 C ATOM 0 H VAL A 71 -12.139 9.498 6.344 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.347 9.492 3.435 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.751 11.796 5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.559 13.188 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.143 12.218 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.770 11.728 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.144 12.346 5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.421 10.851 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.881 10.763 5.937 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.956 9.794 2.794 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.547 9.813 2.418 1.00 0.00 C ATOM 1066 C LEU A 72 -8.266 10.925 1.412 1.00 0.00 C ATOM 1067 O LEU A 72 -8.668 10.844 0.251 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.138 8.462 1.828 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.705 8.365 1.303 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.762 7.910 2.407 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.635 7.416 0.115 1.00 0.00 C ATOM 0 H LEU A 72 -10.599 9.656 2.014 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.960 10.004 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.276 7.697 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.820 8.223 1.012 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.392 9.355 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.747 7.847 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.790 8.627 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.073 6.930 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.608 7.359 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.967 6.424 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.280 7.784 -0.683 1.00 0.00 H new ATOM 1083 N THR A 73 -7.572 11.965 1.865 1.00 0.00 N ATOM 1084 CA THR A 73 -7.237 13.093 1.006 1.00 0.00 C ATOM 1085 C THR A 73 -5.786 13.019 0.542 1.00 0.00 C ATOM 1086 O THR A 73 -4.887 13.549 1.195 1.00 0.00 O ATOM 1087 CB THR A 73 -7.465 14.435 1.726 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.593 14.335 2.603 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.695 15.555 0.723 1.00 0.00 C ATOM 0 H THR A 73 -7.231 12.049 2.823 1.00 0.00 H new ATOM 0 HA THR A 73 -7.896 13.037 0.140 1.00 0.00 H new ATOM 0 HB THR A 73 -6.572 14.666 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.730 15.192 3.058 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.854 16.493 1.255 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.823 15.648 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.573 15.328 0.119 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.565 12.358 -0.589 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.222 12.215 -1.141 1.00 0.00 C ATOM 1099 C LEU A 74 -3.786 13.493 -1.850 1.00 0.00 C ATOM 1100 O LEU A 74 -4.066 13.684 -3.034 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.173 11.036 -2.114 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.955 9.658 -1.488 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.303 8.559 -2.481 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.519 9.511 -1.008 1.00 0.00 C ATOM 0 H LEU A 74 -6.298 11.913 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.535 12.027 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.107 11.014 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.374 11.217 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.616 9.563 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.142 7.586 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.348 8.652 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.669 8.651 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.382 8.524 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.839 9.627 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.305 10.276 -0.262 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.098 14.364 -1.120 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.623 15.623 -1.679 1.00 0.00 C ATOM 1118 C ARG A 75 -1.356 15.409 -2.503 1.00 0.00 C ATOM 1119 O ARG A 75 -0.604 14.464 -2.266 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.352 16.633 -0.562 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.497 16.765 0.429 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.429 18.082 1.187 1.00 0.00 C ATOM 1123 NE ARG A 75 -3.898 19.204 0.377 1.00 0.00 N ATOM 1124 CZ ARG A 75 -5.181 19.469 0.163 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -6.119 18.697 0.695 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -5.529 20.508 -0.585 1.00 0.00 N ATOM 0 H ARG A 75 -2.857 14.221 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.401 16.016 -2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.451 16.336 -0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.152 17.608 -1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.447 16.697 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.466 15.935 1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.032 18.011 2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.402 18.266 1.502 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.202 19.817 -0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.855 17.897 1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.104 18.903 0.529 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.810 21.104 -0.996 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.515 20.711 -0.749 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.128 16.291 -3.470 1.00 0.00 N ATOM 1141 CA GLN A 76 0.046 16.197 -4.328 1.00 0.00 C ATOM 1142 C GLN A 76 0.167 14.802 -4.934 1.00 0.00 C ATOM 1143 O GLN A 76 1.060 14.034 -4.576 1.00 0.00 O ATOM 1144 CB GLN A 76 1.311 16.533 -3.537 1.00 0.00 C ATOM 1145 CG GLN A 76 1.408 17.997 -3.138 1.00 0.00 C ATOM 1146 CD GLN A 76 2.827 18.421 -2.816 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.092 18.991 -1.757 1.00 0.00 O ATOM 1148 NE2 GLN A 76 3.750 18.144 -3.729 1.00 0.00 N ATOM 0 H GLN A 76 -1.741 17.079 -3.679 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.069 16.917 -5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.342 15.917 -2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.184 16.269 -4.134 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.023 18.617 -3.948 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.774 18.176 -2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.487 17.670 -4.593 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.723 18.405 -3.566 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.737 14.482 -5.853 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.733 13.179 -6.509 1.00 0.00 C ATOM 1159 C LEU A 77 0.024 13.238 -7.832 1.00 0.00 C ATOM 1160 O LEU A 77 0.556 14.282 -8.208 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.166 12.702 -6.749 1.00 0.00 C ATOM 1162 CG LEU A 77 -2.902 12.148 -5.529 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.396 12.408 -5.644 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.628 10.660 -5.371 1.00 0.00 C ATOM 0 H LEU A 77 -1.482 15.107 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.227 12.471 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.743 13.536 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.147 11.930 -7.518 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.532 12.661 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.904 12.007 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.575 13.481 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.782 11.922 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.160 10.283 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.970 10.131 -6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.558 10.499 -5.242 1.00 0.00 H new ATOM 1176 N ALA A 78 0.066 12.111 -8.535 1.00 0.00 N ATOM 1177 CA ALA A 78 0.753 12.036 -9.818 1.00 0.00 C ATOM 1178 C ALA A 78 -0.017 11.163 -10.803 1.00 0.00 C ATOM 1179 O ALA A 78 -0.804 10.304 -10.404 1.00 0.00 O ATOM 1180 CB ALA A 78 2.166 11.502 -9.630 1.00 0.00 C ATOM 0 H ALA A 78 -0.368 11.237 -8.237 1.00 0.00 H new ATOM 0 HA ALA A 78 0.809 13.043 -10.231 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.667 11.451 -10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.721 12.166 -8.968 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.123 10.505 -9.191 1.00 0.00 H new ATOM 1186 N LEU A 79 0.213 11.390 -12.092 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.460 10.624 -13.135 1.00 0.00 C ATOM 1188 C LEU A 79 -0.223 9.129 -12.952 1.00 0.00 C ATOM 1189 O LEU A 79 -1.012 8.303 -13.413 1.00 0.00 O ATOM 1190 CB LEU A 79 0.031 11.065 -14.516 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.460 12.430 -14.999 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.354 12.897 -16.195 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.940 12.372 -15.348 1.00 0.00 C ATOM 0 H LEU A 79 0.860 12.098 -12.439 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.530 10.815 -13.058 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.121 11.076 -14.505 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.273 10.313 -15.245 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.326 13.150 -14.191 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.010 13.870 -16.525 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.403 12.979 -15.911 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.253 12.177 -17.007 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.272 13.352 -15.690 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.099 11.639 -16.139 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.511 12.083 -14.466 1.00 0.00 H new ATOM 1205 N LYS A 80 0.867 8.786 -12.275 1.00 0.00 N ATOM 1206 CA LYS A 80 1.207 7.390 -12.027 1.00 0.00 C ATOM 1207 C LYS A 80 0.318 6.799 -10.937 1.00 0.00 C ATOM 1208 O LYS A 80 0.057 5.596 -10.921 1.00 0.00 O ATOM 1209 CB LYS A 80 2.678 7.266 -11.623 1.00 0.00 C ATOM 1210 CG LYS A 80 3.037 8.061 -10.379 1.00 0.00 C ATOM 1211 CD LYS A 80 4.324 8.845 -10.571 1.00 0.00 C ATOM 1212 CE LYS A 80 4.968 9.192 -9.237 1.00 0.00 C ATOM 1213 NZ LYS A 80 5.110 10.663 -9.056 1.00 0.00 N ATOM 0 H LYS A 80 1.531 9.456 -11.888 1.00 0.00 H new ATOM 0 HA LYS A 80 1.041 6.832 -12.949 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.912 6.215 -11.452 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.303 7.601 -12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.225 8.747 -10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.145 7.384 -9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.021 8.261 -11.172 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.115 9.760 -11.125 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.366 8.783 -8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.949 8.722 -9.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.089 10.887 -8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.877 11.146 -9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.463 10.985 -8.308 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.143 7.652 -10.030 1.00 0.00 N ATOM 1228 CA ASP A 81 -1.005 7.214 -8.938 1.00 0.00 C ATOM 1229 C ASP A 81 -2.300 6.613 -9.475 1.00 0.00 C ATOM 1230 O ASP A 81 -2.947 5.808 -8.805 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.321 8.387 -8.007 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.485 7.953 -6.564 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.457 7.736 -5.890 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.642 7.829 -6.110 1.00 0.00 O ATOM 0 H ASP A 81 0.065 8.651 -10.029 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.475 6.446 -8.376 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.521 9.125 -8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.235 8.877 -8.342 1.00 0.00 H new ATOM 1239 N SER A 82 -2.672 7.009 -10.688 1.00 0.00 N ATOM 1240 CA SER A 82 -3.892 6.512 -11.314 1.00 0.00 C ATOM 1241 C SER A 82 -3.937 4.988 -11.283 1.00 0.00 C ATOM 1242 O SER A 82 -3.236 4.319 -12.041 1.00 0.00 O ATOM 1243 CB SER A 82 -3.988 7.007 -12.758 1.00 0.00 C ATOM 1244 OG SER A 82 -2.947 6.466 -13.553 1.00 0.00 O ATOM 0 H SER A 82 -2.146 7.673 -11.257 1.00 0.00 H new ATOM 0 HA SER A 82 -4.742 6.895 -10.749 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.954 6.727 -13.178 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.936 8.096 -12.777 1.00 0.00 H new ATOM 0 HG SER A 82 -2.180 7.076 -13.546 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.768 4.444 -10.398 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.889 3.002 -10.284 1.00 0.00 C ATOM 1252 C GLY A 83 -6.190 2.580 -9.631 1.00 0.00 C ATOM 1253 O GLY A 83 -7.269 2.776 -10.193 1.00 0.00 O ATOM 0 H GLY A 83 -5.359 4.976 -9.759 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.822 2.555 -11.276 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.052 2.615 -9.703 1.00 0.00 H new ATOM 1257 N THR A 84 -6.092 1.998 -8.440 1.00 0.00 N ATOM 1258 CA THR A 84 -7.269 1.544 -7.711 1.00 0.00 C ATOM 1259 C THR A 84 -6.980 1.423 -6.219 1.00 0.00 C ATOM 1260 O THR A 84 -6.165 0.599 -5.801 1.00 0.00 O ATOM 1261 CB THR A 84 -7.768 0.185 -8.238 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.941 0.244 -9.658 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.082 -0.203 -7.577 1.00 0.00 C ATOM 0 H THR A 84 -5.208 1.830 -7.959 1.00 0.00 H new ATOM 0 HA THR A 84 -8.045 2.293 -7.868 1.00 0.00 H new ATOM 0 HB THR A 84 -7.021 -0.571 -7.995 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.101 1.172 -9.930 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.414 -1.166 -7.965 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.939 -0.276 -6.499 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.835 0.555 -7.793 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.652 2.246 -5.422 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.467 2.229 -3.976 1.00 0.00 C ATOM 1273 C ILE A 85 -7.936 0.907 -3.378 1.00 0.00 C ATOM 1274 O ILE A 85 -9.111 0.551 -3.475 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.226 3.384 -3.298 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.752 4.730 -3.852 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.035 3.330 -1.789 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.304 5.035 -3.540 1.00 0.00 C ATOM 0 H ILE A 85 -8.330 2.933 -5.753 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.399 2.350 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.289 3.277 -3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.892 4.739 -4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.378 5.523 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.578 4.153 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.416 2.383 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.974 3.416 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.037 6.004 -3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.162 5.059 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.668 4.263 -3.972 1.00 0.00 H new ATOM 1290 N TYR A 86 -7.010 0.183 -2.758 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.328 -1.100 -2.143 1.00 0.00 C ATOM 1292 C TYR A 86 -7.386 -0.978 -0.624 1.00 0.00 C ATOM 1293 O TYR A 86 -6.447 -1.357 0.077 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.291 -2.151 -2.543 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.496 -2.706 -3.934 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.566 -3.545 -4.219 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.620 -2.389 -4.965 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.756 -4.055 -5.489 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.803 -2.893 -6.239 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.872 -3.726 -6.495 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.059 -4.230 -7.762 1.00 0.00 O ATOM 0 H TYR A 86 -6.033 0.463 -2.668 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.309 -1.412 -2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.296 -1.710 -2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.322 -2.971 -1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.261 -3.803 -3.434 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.782 -1.738 -4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.592 -4.708 -5.693 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.113 -2.636 -7.029 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.350 -3.901 -8.353 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.495 -0.445 -0.121 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.677 -0.272 1.315 1.00 0.00 C ATOM 1313 C PHE A 87 -8.549 -1.606 2.045 1.00 0.00 C ATOM 1314 O PHE A 87 -8.840 -2.662 1.484 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.043 0.353 1.606 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.323 0.526 3.071 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.750 1.569 3.781 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.159 -0.354 3.739 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -10.006 1.732 5.129 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.419 -0.196 5.087 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.841 0.848 5.784 1.00 0.00 C ATOM 0 H PHE A 87 -9.281 -0.126 -0.687 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.895 0.396 1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.101 1.325 1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.821 -0.272 1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.095 2.263 3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.613 -1.173 3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.554 2.550 5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.074 -0.888 5.596 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.042 0.972 6.838 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.111 -1.548 3.299 1.00 0.00 N ATOM 1332 CA GLU A 88 -7.944 -2.752 4.104 1.00 0.00 C ATOM 1333 C GLU A 88 -8.513 -2.552 5.506 1.00 0.00 C ATOM 1334 O GLU A 88 -8.301 -1.514 6.131 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.464 -3.131 4.193 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.063 -4.245 3.240 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.584 -4.572 3.314 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.072 -4.749 4.440 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -3.939 -4.650 2.248 1.00 0.00 O ATOM 0 H GLU A 88 -7.866 -0.682 3.778 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.491 -3.561 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.858 -2.249 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.237 -3.438 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.641 -5.140 3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.317 -3.955 2.220 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.238 -3.555 5.992 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.838 -3.490 7.319 1.00 0.00 C ATOM 1348 C ALA A 89 -10.372 -4.853 7.746 1.00 0.00 C ATOM 1349 O ALA A 89 -11.468 -5.252 7.354 1.00 0.00 O ATOM 1350 CB ALA A 89 -10.950 -2.453 7.346 1.00 0.00 C ATOM 0 H ALA A 89 -9.424 -4.421 5.487 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.064 -3.194 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.389 -2.416 8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.541 -1.475 7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.718 -2.724 6.622 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.590 -5.565 8.553 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.003 -6.876 9.019 1.00 0.00 C ATOM 1358 C GLY A 90 -9.819 -7.950 7.965 1.00 0.00 C ATOM 1359 O GLY A 90 -8.694 -8.249 7.563 1.00 0.00 O ATOM 0 H GLY A 90 -8.679 -5.257 8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.429 -7.140 9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.051 -6.839 9.317 1.00 0.00 H new ATOM 1363 N ASP A 91 -10.926 -8.533 7.518 1.00 0.00 N ATOM 1364 CA ASP A 91 -10.882 -9.581 6.505 1.00 0.00 C ATOM 1365 C ASP A 91 -11.558 -9.120 5.217 1.00 0.00 C ATOM 1366 O ASP A 91 -11.954 -9.938 4.387 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.558 -10.850 7.025 1.00 0.00 C ATOM 1368 CG ASP A 91 -10.690 -11.607 8.011 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -9.762 -10.992 8.578 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -10.938 -12.813 8.216 1.00 0.00 O ATOM 0 H ASP A 91 -11.864 -8.298 7.841 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.836 -9.799 6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.501 -10.586 7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.799 -11.500 6.184 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.686 -7.807 5.059 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.316 -7.238 3.873 1.00 0.00 C ATOM 1377 C GLN A 92 -11.312 -6.431 3.057 1.00 0.00 C ATOM 1378 O GLN A 92 -10.134 -6.353 3.407 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.497 -6.351 4.273 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.674 -7.126 4.844 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.381 -7.967 3.800 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.105 -7.445 2.952 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.175 -9.278 3.856 1.00 0.00 N ATOM 0 H GLN A 92 -11.362 -7.117 5.737 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.680 -8.060 3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.160 -5.623 5.011 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.831 -5.790 3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.323 -7.772 5.648 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.385 -6.427 5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.567 -9.668 4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.625 -9.894 3.179 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.785 -5.834 1.969 1.00 0.00 N ATOM 1393 CA ARG A 93 -10.928 -5.034 1.102 1.00 0.00 C ATOM 1394 C ARG A 93 -11.749 -4.324 0.030 1.00 0.00 C ATOM 1395 O ARG A 93 -12.338 -4.965 -0.840 1.00 0.00 O ATOM 1396 CB ARG A 93 -9.865 -5.917 0.445 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.615 -5.159 0.030 1.00 0.00 C ATOM 1398 CD ARG A 93 -7.653 -6.050 -0.741 1.00 0.00 C ATOM 1399 NE ARG A 93 -7.173 -7.166 0.069 1.00 0.00 N ATOM 1400 CZ ARG A 93 -6.294 -8.063 -0.364 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -5.803 -7.976 -1.592 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -5.905 -9.051 0.433 1.00 0.00 N ATOM 0 H ARG A 93 -12.757 -5.889 1.666 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.436 -4.280 1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.585 -6.711 1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.296 -6.398 -0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.894 -4.304 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.117 -4.764 0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.150 -6.436 -1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.804 -5.458 -1.082 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.532 -7.262 1.019 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.100 -7.219 -2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.128 -8.666 -1.922 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.281 -9.122 1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.230 -9.739 0.100 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.784 -2.998 0.100 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.532 -2.201 -0.865 1.00 0.00 C ATOM 1418 C ALA A 94 -11.742 -2.021 -2.157 1.00 0.00 C ATOM 1419 O ALA A 94 -10.578 -2.412 -2.244 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.888 -0.847 -0.269 1.00 0.00 C ATOM 0 H ALA A 94 -11.303 -2.452 0.815 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.453 -2.734 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.446 -0.263 -1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.499 -0.991 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.975 -0.316 -0.001 1.00 0.00 H new ATOM 1426 N SER A 95 -12.384 -1.428 -3.159 1.00 0.00 N ATOM 1427 CA SER A 95 -11.742 -1.201 -4.449 1.00 0.00 C ATOM 1428 C SER A 95 -12.447 -0.087 -5.217 1.00 0.00 C ATOM 1429 O SER A 95 -13.576 -0.253 -5.676 1.00 0.00 O ATOM 1430 CB SER A 95 -11.744 -2.487 -5.277 1.00 0.00 C ATOM 1431 OG SER A 95 -13.065 -2.872 -5.618 1.00 0.00 O ATOM 0 H SER A 95 -13.347 -1.096 -3.103 1.00 0.00 H new ATOM 0 HA SER A 95 -10.711 -0.897 -4.266 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.159 -2.340 -6.185 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.263 -3.287 -4.714 1.00 0.00 H new ATOM 0 HG SER A 95 -13.627 -2.074 -5.702 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.771 1.050 -5.352 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.329 2.191 -6.065 1.00 0.00 C ATOM 1439 C ALA A 96 -11.433 2.604 -7.228 1.00 0.00 C ATOM 1440 O ALA A 96 -10.208 2.567 -7.123 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.534 3.360 -5.113 1.00 0.00 C ATOM 0 H ALA A 96 -10.835 1.204 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.296 1.895 -6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.951 4.206 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.221 3.067 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.577 3.647 -4.677 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.053 2.997 -8.336 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.311 3.418 -9.518 1.00 0.00 C ATOM 1449 C ALA A 97 -10.645 4.772 -9.295 1.00 0.00 C ATOM 1450 O ALA A 97 -11.287 5.817 -9.408 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.233 3.474 -10.727 1.00 0.00 C ATOM 0 H ALA A 97 -13.067 3.033 -8.440 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.528 2.684 -9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.666 3.790 -11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.658 2.486 -10.907 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.037 4.186 -10.539 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.356 4.746 -8.977 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.602 5.972 -8.737 1.00 0.00 C ATOM 1459 C LEU A 98 -8.046 6.533 -10.042 1.00 0.00 C ATOM 1460 O LEU A 98 -6.963 6.148 -10.482 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.461 5.708 -7.754 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.382 6.789 -7.672 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -7.013 8.158 -7.470 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.403 6.481 -6.549 1.00 0.00 C ATOM 0 H LEU A 98 -8.811 3.890 -8.879 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.280 6.709 -8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.888 5.573 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.984 4.767 -8.026 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.833 6.799 -8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.230 8.915 -7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.674 8.381 -8.307 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.587 8.161 -6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.642 7.260 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.938 6.443 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.926 5.519 -6.736 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.793 7.446 -10.653 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.373 8.062 -11.907 1.00 0.00 C ATOM 1478 C ARG A 99 -7.666 9.389 -11.651 1.00 0.00 C ATOM 1479 O ARG A 99 -8.062 10.157 -10.774 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.580 8.282 -12.820 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.274 6.995 -13.235 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.433 7.267 -14.181 1.00 0.00 C ATOM 1483 NE ARG A 99 -11.628 6.178 -15.135 1.00 0.00 N ATOM 1484 CZ ARG A 99 -10.828 5.959 -16.173 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -9.786 6.748 -16.390 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -11.071 4.947 -16.997 1.00 0.00 N ATOM 0 H ARG A 99 -9.692 7.776 -10.301 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.673 7.387 -12.398 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.298 8.924 -12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.256 8.814 -13.714 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.556 6.333 -13.719 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.640 6.476 -12.349 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.346 7.411 -13.604 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.249 8.195 -14.723 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.421 5.552 -14.997 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.596 7.527 -15.759 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.174 6.577 -17.188 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.872 4.337 -16.833 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.457 4.779 -17.794 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.616 9.653 -12.423 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.853 10.887 -12.280 1.00 0.00 C ATOM 1502 C VAL A 100 -5.364 11.390 -13.634 1.00 0.00 C ATOM 1503 O VAL A 100 -4.376 10.891 -14.174 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.642 10.694 -11.348 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.824 11.974 -11.264 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.099 10.252 -9.966 1.00 0.00 C ATOM 0 H VAL A 100 -6.275 9.029 -13.154 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.524 11.625 -11.842 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.007 9.912 -11.763 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.973 11.819 -10.601 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.466 12.243 -12.258 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.447 12.779 -10.873 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.231 10.120 -9.320 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.756 11.010 -9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.638 9.308 -10.046 1.00 0.00 H new ATOM 1516 N THR A 101 -6.062 12.382 -14.178 1.00 0.00 N ATOM 1517 CA THR A 101 -5.699 12.953 -15.469 1.00 0.00 C ATOM 1518 C THR A 101 -4.585 13.982 -15.322 1.00 0.00 C ATOM 1519 O THR A 101 -4.206 14.345 -14.208 1.00 0.00 O ATOM 1520 CB THR A 101 -6.911 13.618 -16.150 1.00 0.00 C ATOM 1521 OG1 THR A 101 -7.262 14.820 -15.457 1.00 0.00 O ATOM 1522 CG2 THR A 101 -8.103 12.673 -16.174 1.00 0.00 C ATOM 0 H THR A 101 -6.882 12.807 -13.744 1.00 0.00 H new ATOM 0 HA THR A 101 -5.349 12.130 -16.091 1.00 0.00 H new ATOM 0 HB THR A 101 -6.638 13.858 -17.177 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.032 15.238 -15.896 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.947 13.164 -16.659 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.841 11.771 -16.727 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.377 12.406 -15.153 1.00 0.00 H new ATOM 1530 N GLU A 102 -4.065 14.451 -16.452 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.993 15.440 -16.447 1.00 0.00 C ATOM 1532 C GLU A 102 -3.410 16.689 -15.677 1.00 0.00 C ATOM 1533 O GLU A 102 -4.569 16.836 -15.288 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.608 15.814 -17.879 1.00 0.00 C ATOM 1535 CG GLU A 102 -1.486 14.963 -18.451 1.00 0.00 C ATOM 1536 CD GLU A 102 -1.579 14.810 -19.956 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -1.937 15.797 -20.633 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -1.294 13.702 -20.458 1.00 0.00 O ATOM 0 H GLU A 102 -4.368 14.162 -17.382 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.129 15.000 -15.950 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.486 15.720 -18.518 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.307 16.861 -17.903 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.527 15.413 -18.194 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.510 13.977 -17.987 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.456 17.588 -15.459 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.722 18.827 -14.737 1.00 0.00 C ATOM 1547 C LYS A 103 -2.212 20.033 -15.518 1.00 0.00 C ATOM 1548 O LYS A 103 -1.297 19.931 -16.337 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.065 18.786 -13.355 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.597 19.177 -13.367 1.00 0.00 C ATOM 1551 CD LYS A 103 0.227 18.221 -14.213 1.00 0.00 C ATOM 1552 CE LYS A 103 1.717 18.400 -13.963 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.531 17.427 -14.744 1.00 0.00 N ATOM 0 H LYS A 103 -1.491 17.482 -15.772 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.801 18.924 -14.618 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.605 19.455 -12.685 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.161 17.780 -12.946 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.492 20.190 -13.755 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.213 19.185 -12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.060 17.194 -13.988 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.011 18.388 -15.268 1.00 0.00 H new ATOM 0 HE2 LYS A 103 2.011 19.415 -14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.924 18.277 -12.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.540 17.581 -14.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.269 16.458 -14.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.353 17.562 -15.760 1.00 0.00 H new