USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 60 TYR OH : rot -115:sc= -0.592 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -132:sc= 1.38 (180deg=0.694) USER MOD Single : A 12 ASN : amide:sc= -0.405 K(o=-0.41,f=-5.2!) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc=-0.00139 (180deg=-0.0873) USER MOD Single : A 23 HIS :FLIP no HE2:sc= 0.356 F(o=-1.2,f=0.36) USER MOD Single : A 24 SER OG : rot -80:sc= 1.24 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -143:sc= -0.628 (180deg=-1.55) USER MOD Single : A 28 ASN : amide:sc= 0.753 K(o=0.75,f=-0.41) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00886 USER MOD Single : A 34 ASN : amide:sc= -1.66! K(o=-1.7!,f=-2.4) USER MOD Single : A 37 LYS NZ :NH3+ -150:sc= -0.253 (180deg=-0.648) USER MOD Single : A 42 MET CE :methyl 140:sc= -0.432 (180deg=-3.23!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.225 USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0281) USER MOD Single : A 54 CYS SG : rot 74:sc= -1.31 USER MOD Single : A 55 THR OG1 : rot 73:sc= 0.971 USER MOD Single : A 59 MET CE :methyl 144:sc= -1.84 (180deg=-3.83!) USER MOD Single : A 68 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.0088) USER MOD Single : A 70 THR OG1 : rot -44:sc= 0.959 USER MOD Single : A 71 GLN : amide:sc= -1.12! C(o=-1.1!,f=-4.3!) USER MOD Single : A 76 MET CE :methyl -161:sc= -0.127 (180deg=-0.694) USER MOD Single : A 82 MET CE :methyl 146:sc= -0.156 (180deg=-0.81) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 11 1.662 -15.253 -1.056 1.00 30.44 N ATOM 165 CA PRO A 11 2.782 -14.809 -0.210 1.00 2.13 C ATOM 166 C PRO A 11 2.391 -14.637 1.265 1.00 35.44 C ATOM 167 O PRO A 11 1.437 -13.925 1.592 1.00 13.25 O ATOM 168 CB PRO A 11 3.197 -13.455 -0.823 1.00 2.11 C ATOM 169 CG PRO A 11 2.041 -13.037 -1.670 1.00 53.12 C ATOM 170 CD PRO A 11 1.409 -14.311 -2.161 1.00 62.23 C ATOM 0 HA PRO A 11 3.584 -15.548 -0.198 1.00 2.13 H new ATOM 0 HB2 PRO A 11 3.403 -12.718 -0.047 1.00 2.11 H new ATOM 0 HB3 PRO A 11 4.105 -13.554 -1.418 1.00 2.11 H new ATOM 0 HG2 PRO A 11 1.330 -12.444 -1.095 1.00 53.12 H new ATOM 0 HG3 PRO A 11 2.371 -12.418 -2.504 1.00 53.12 H new ATOM 0 HD2 PRO A 11 0.343 -14.186 -2.349 1.00 62.23 H new ATOM 0 HD3 PRO A 11 1.859 -14.652 -3.093 1.00 62.23 H new ATOM 178 N ASN A 12 3.136 -15.294 2.150 1.00 23.02 N ATOM 179 CA ASN A 12 2.908 -15.198 3.596 1.00 24.44 C ATOM 180 C ASN A 12 3.065 -13.747 4.092 1.00 54.23 C ATOM 181 O ASN A 12 3.438 -12.858 3.322 1.00 22.30 O ATOM 182 CB ASN A 12 3.878 -16.132 4.334 1.00 53.32 C ATOM 183 CG ASN A 12 3.754 -17.577 3.869 1.00 60.41 C ATOM 184 OD1 ASN A 12 3.449 -17.848 2.712 1.00 23.11 O ATOM 185 ND2 ASN A 12 4.009 -18.514 4.758 1.00 50.15 N ATOM 0 H ASN A 12 3.911 -15.905 1.891 1.00 23.02 H new ATOM 0 HA ASN A 12 1.884 -15.506 3.807 1.00 24.44 H new ATOM 0 HB2 ASN A 12 4.900 -15.788 4.177 1.00 53.32 H new ATOM 0 HB3 ASN A 12 3.685 -16.079 5.406 1.00 53.32 H new ATOM 0 HD21 ASN A 12 3.956 -19.497 4.492 1.00 50.15 H new ATOM 0 HD22 ASN A 12 4.260 -18.257 5.713 1.00 50.15 H new ATOM 192 N GLU A 13 2.791 -13.508 5.375 1.00 11.14 N ATOM 193 CA GLU A 13 2.806 -12.145 5.928 1.00 20.01 C ATOM 194 C GLU A 13 4.148 -11.435 5.675 1.00 73.41 C ATOM 195 O GLU A 13 4.190 -10.390 5.025 1.00 20.40 O ATOM 196 CB GLU A 13 2.497 -12.179 7.431 1.00 64.21 C ATOM 197 CG GLU A 13 2.451 -10.800 8.082 1.00 21.44 C ATOM 198 CD GLU A 13 2.078 -10.860 9.553 1.00 22.33 C ATOM 199 OE1 GLU A 13 2.897 -11.337 10.362 1.00 31.13 O ATOM 200 OE2 GLU A 13 0.961 -10.441 9.912 1.00 2.13 O ATOM 0 H GLU A 13 2.556 -14.234 6.052 1.00 11.14 H new ATOM 0 HA GLU A 13 2.033 -11.574 5.414 1.00 20.01 H new ATOM 0 HB2 GLU A 13 1.538 -12.675 7.584 1.00 64.21 H new ATOM 0 HB3 GLU A 13 3.252 -12.783 7.934 1.00 64.21 H new ATOM 0 HG2 GLU A 13 3.424 -10.320 7.977 1.00 21.44 H new ATOM 0 HG3 GLU A 13 1.730 -10.177 7.553 1.00 21.44 H new ATOM 207 N GLU A 14 5.240 -12.019 6.166 1.00 31.45 N ATOM 208 CA GLU A 14 6.584 -11.458 5.955 1.00 61.42 C ATOM 209 C GLU A 14 6.955 -11.398 4.465 1.00 64.51 C ATOM 210 O GLU A 14 7.744 -10.549 4.047 1.00 70.50 O ATOM 211 CB GLU A 14 7.635 -12.283 6.714 1.00 30.41 C ATOM 212 CG GLU A 14 7.575 -12.135 8.229 1.00 15.31 C ATOM 213 CD GLU A 14 7.915 -10.727 8.703 1.00 62.41 C ATOM 214 OE1 GLU A 14 9.004 -10.220 8.348 1.00 45.51 O ATOM 215 OE2 GLU A 14 7.112 -10.131 9.454 1.00 24.13 O ATOM 0 H GLU A 14 5.226 -12.880 6.713 1.00 31.45 H new ATOM 0 HA GLU A 14 6.570 -10.439 6.340 1.00 61.42 H new ATOM 0 HB2 GLU A 14 7.508 -13.335 6.458 1.00 30.41 H new ATOM 0 HB3 GLU A 14 8.627 -11.989 6.371 1.00 30.41 H new ATOM 0 HG2 GLU A 14 6.575 -12.398 8.575 1.00 15.31 H new ATOM 0 HG3 GLU A 14 8.267 -12.843 8.686 1.00 15.31 H new ATOM 222 N ALA A 15 6.392 -12.304 3.667 1.00 0.10 N ATOM 223 CA ALA A 15 6.679 -12.353 2.229 1.00 54.32 C ATOM 224 C ALA A 15 6.047 -11.166 1.485 1.00 4.12 C ATOM 225 O ALA A 15 6.719 -10.466 0.724 1.00 53.44 O ATOM 226 CB ALA A 15 6.190 -13.672 1.642 1.00 25.40 C ATOM 0 H ALA A 15 5.735 -13.015 3.989 1.00 0.10 H new ATOM 0 HA ALA A 15 7.759 -12.284 2.100 1.00 54.32 H new ATOM 0 HB1 ALA A 15 6.408 -13.698 0.574 1.00 25.40 H new ATOM 0 HB2 ALA A 15 6.697 -14.501 2.136 1.00 25.40 H new ATOM 0 HB3 ALA A 15 5.115 -13.762 1.795 1.00 25.40 H new ATOM 232 N ARG A 16 4.754 -10.934 1.713 1.00 72.33 N ATOM 233 CA ARG A 16 4.048 -9.807 1.092 1.00 73.04 C ATOM 234 C ARG A 16 4.507 -8.472 1.703 1.00 22.43 C ATOM 235 O ARG A 16 4.583 -7.454 1.018 1.00 51.11 O ATOM 236 CB ARG A 16 2.525 -9.976 1.243 1.00 51.33 C ATOM 237 CG ARG A 16 2.018 -9.801 2.674 1.00 35.25 C ATOM 238 CD ARG A 16 0.549 -10.184 2.824 1.00 61.34 C ATOM 239 NE ARG A 16 0.348 -11.629 2.727 1.00 73.11 N ATOM 240 CZ ARG A 16 -0.590 -12.281 3.362 1.00 1.35 C ATOM 241 NH1 ARG A 16 -1.444 -11.652 4.103 1.00 14.50 N ATOM 242 NH2 ARG A 16 -0.673 -13.568 3.238 1.00 14.23 N ATOM 0 H ARG A 16 4.172 -11.509 2.322 1.00 72.33 H new ATOM 0 HA ARG A 16 4.291 -9.796 0.029 1.00 73.04 H new ATOM 0 HB2 ARG A 16 2.024 -9.252 0.600 1.00 51.33 H new ATOM 0 HB3 ARG A 16 2.243 -10.967 0.887 1.00 51.33 H new ATOM 0 HG2 ARG A 16 2.620 -10.412 3.347 1.00 35.25 H new ATOM 0 HG3 ARG A 16 2.153 -8.763 2.979 1.00 35.25 H new ATOM 0 HD2 ARG A 16 0.178 -9.830 3.786 1.00 61.34 H new ATOM 0 HD3 ARG A 16 -0.037 -9.684 2.053 1.00 61.34 H new ATOM 0 HE ARG A 16 0.978 -12.161 2.127 1.00 73.11 H new ATOM 0 HH11 ARG A 16 -1.389 -10.638 4.196 1.00 14.50 H new ATOM 0 HH12 ARG A 16 -2.172 -12.170 4.594 1.00 14.50 H new ATOM 0 HH21 ARG A 16 -0.008 -14.067 2.647 1.00 14.23 H new ATOM 0 HH22 ARG A 16 -1.403 -14.082 3.731 1.00 14.23 H new ATOM 256 N LEU A 17 4.827 -8.497 2.999 1.00 31.23 N ATOM 257 CA LEU A 17 5.342 -7.316 3.697 1.00 4.14 C ATOM 258 C LEU A 17 6.688 -6.872 3.101 1.00 21.44 C ATOM 259 O LEU A 17 6.944 -5.677 2.936 1.00 60.12 O ATOM 260 CB LEU A 17 5.501 -7.621 5.196 1.00 71.35 C ATOM 261 CG LEU A 17 6.011 -6.460 6.065 1.00 64.52 C ATOM 262 CD1 LEU A 17 5.071 -5.263 5.982 1.00 32.54 C ATOM 263 CD2 LEU A 17 6.190 -6.911 7.512 1.00 2.53 C ATOM 0 H LEU A 17 4.738 -9.325 3.588 1.00 31.23 H new ATOM 0 HA LEU A 17 4.628 -6.502 3.571 1.00 4.14 H new ATOM 0 HB2 LEU A 17 4.536 -7.945 5.586 1.00 71.35 H new ATOM 0 HB3 LEU A 17 6.187 -8.461 5.306 1.00 71.35 H new ATOM 0 HG LEU A 17 6.983 -6.150 5.681 1.00 64.52 H new ATOM 0 HD11 LEU A 17 5.454 -4.455 6.606 1.00 32.54 H new ATOM 0 HD12 LEU A 17 5.005 -4.923 4.948 1.00 32.54 H new ATOM 0 HD13 LEU A 17 4.081 -5.553 6.333 1.00 32.54 H new ATOM 0 HD21 LEU A 17 6.552 -6.076 8.111 1.00 2.53 H new ATOM 0 HD22 LEU A 17 5.234 -7.254 7.907 1.00 2.53 H new ATOM 0 HD23 LEU A 17 6.913 -7.726 7.552 1.00 2.53 H new ATOM 275 N ASP A 18 7.541 -7.846 2.779 1.00 62.31 N ATOM 276 CA ASP A 18 8.822 -7.578 2.115 1.00 61.11 C ATOM 277 C ASP A 18 8.599 -6.816 0.793 1.00 74.41 C ATOM 278 O ASP A 18 9.269 -5.820 0.510 1.00 75.12 O ATOM 279 CB ASP A 18 9.550 -8.907 1.862 1.00 54.41 C ATOM 280 CG ASP A 18 10.983 -8.723 1.392 1.00 23.42 C ATOM 281 OD1 ASP A 18 11.887 -8.611 2.251 1.00 42.23 O ATOM 282 OD2 ASP A 18 11.218 -8.705 0.166 1.00 53.52 O ATOM 0 H ASP A 18 7.368 -8.833 2.968 1.00 62.31 H new ATOM 0 HA ASP A 18 9.438 -6.951 2.760 1.00 61.11 H new ATOM 0 HB2 ASP A 18 9.548 -9.496 2.779 1.00 54.41 H new ATOM 0 HB3 ASP A 18 9.000 -9.479 1.115 1.00 54.41 H new ATOM 287 N ILE A 19 7.631 -7.291 0.005 1.00 13.32 N ATOM 288 CA ILE A 19 7.243 -6.636 -1.255 1.00 4.01 C ATOM 289 C ILE A 19 6.819 -5.177 -1.010 1.00 54.23 C ATOM 290 O ILE A 19 7.280 -4.253 -1.689 1.00 74.02 O ATOM 291 CB ILE A 19 6.065 -7.383 -1.934 1.00 73.42 C ATOM 292 CG1 ILE A 19 6.375 -8.884 -2.069 1.00 22.11 C ATOM 293 CG2 ILE A 19 5.749 -6.775 -3.303 1.00 30.15 C ATOM 294 CD1 ILE A 19 5.201 -9.702 -2.569 1.00 22.03 C ATOM 0 H ILE A 19 7.096 -8.133 0.216 1.00 13.32 H new ATOM 0 HA ILE A 19 8.115 -6.660 -1.908 1.00 4.01 H new ATOM 0 HB ILE A 19 5.186 -7.270 -1.300 1.00 73.42 H new ATOM 0 HG12 ILE A 19 7.215 -9.013 -2.752 1.00 22.11 H new ATOM 0 HG13 ILE A 19 6.690 -9.270 -1.100 1.00 22.11 H new ATOM 0 HG21 ILE A 19 4.920 -7.316 -3.759 1.00 30.15 H new ATOM 0 HG22 ILE A 19 5.475 -5.727 -3.181 1.00 30.15 H new ATOM 0 HG23 ILE A 19 6.627 -6.848 -3.945 1.00 30.15 H new ATOM 0 HD11 ILE A 19 5.492 -10.750 -2.640 1.00 22.03 H new ATOM 0 HD12 ILE A 19 4.367 -9.603 -1.875 1.00 22.03 H new ATOM 0 HD13 ILE A 19 4.899 -9.342 -3.553 1.00 22.03 H new ATOM 306 N LEU A 20 5.929 -4.987 -0.037 1.00 63.54 N ATOM 307 CA LEU A 20 5.454 -3.654 0.353 1.00 4.43 C ATOM 308 C LEU A 20 6.620 -2.716 0.702 1.00 54.24 C ATOM 309 O LEU A 20 6.665 -1.577 0.240 1.00 31.01 O ATOM 310 CB LEU A 20 4.493 -3.776 1.545 1.00 22.35 C ATOM 311 CG LEU A 20 3.157 -4.475 1.232 1.00 31.22 C ATOM 312 CD1 LEU A 20 2.450 -4.906 2.512 1.00 13.43 C ATOM 313 CD2 LEU A 20 2.254 -3.561 0.402 1.00 51.11 C ATOM 0 H LEU A 20 5.516 -5.747 0.503 1.00 63.54 H new ATOM 0 HA LEU A 20 4.928 -3.219 -0.497 1.00 4.43 H new ATOM 0 HB2 LEU A 20 4.995 -4.324 2.343 1.00 22.35 H new ATOM 0 HB3 LEU A 20 4.283 -2.777 1.927 1.00 22.35 H new ATOM 0 HG LEU A 20 3.374 -5.370 0.649 1.00 31.22 H new ATOM 0 HD11 LEU A 20 1.510 -5.397 2.261 1.00 13.43 H new ATOM 0 HD12 LEU A 20 3.085 -5.600 3.063 1.00 13.43 H new ATOM 0 HD13 LEU A 20 2.249 -4.030 3.129 1.00 13.43 H new ATOM 0 HD21 LEU A 20 1.315 -4.072 0.191 1.00 51.11 H new ATOM 0 HD22 LEU A 20 2.052 -2.646 0.959 1.00 51.11 H new ATOM 0 HD23 LEU A 20 2.751 -3.313 -0.536 1.00 51.11 H new ATOM 325 N LYS A 21 7.564 -3.208 1.504 1.00 43.43 N ATOM 326 CA LYS A 21 8.754 -2.430 1.888 1.00 22.02 C ATOM 327 C LYS A 21 9.563 -1.979 0.658 1.00 64.11 C ATOM 328 O LYS A 21 10.161 -0.901 0.655 1.00 33.21 O ATOM 329 CB LYS A 21 9.657 -3.261 2.813 1.00 21.14 C ATOM 330 CG LYS A 21 9.029 -3.606 4.163 1.00 3.21 C ATOM 331 CD LYS A 21 9.951 -4.496 4.998 1.00 74.44 C ATOM 332 CE LYS A 21 9.371 -4.788 6.379 1.00 25.33 C ATOM 333 NZ LYS A 21 9.302 -3.571 7.231 1.00 51.31 N ATOM 0 H LYS A 21 7.532 -4.145 1.905 1.00 43.43 H new ATOM 0 HA LYS A 21 8.405 -1.541 2.412 1.00 22.02 H new ATOM 0 HB2 LYS A 21 9.925 -4.186 2.303 1.00 21.14 H new ATOM 0 HB3 LYS A 21 10.583 -2.712 2.986 1.00 21.14 H new ATOM 0 HG2 LYS A 21 8.813 -2.688 4.710 1.00 3.21 H new ATOM 0 HG3 LYS A 21 8.078 -4.113 4.004 1.00 3.21 H new ATOM 0 HD2 LYS A 21 10.122 -5.435 4.471 1.00 74.44 H new ATOM 0 HD3 LYS A 21 10.921 -4.011 5.108 1.00 74.44 H new ATOM 0 HE2 LYS A 21 8.372 -5.209 6.269 1.00 25.33 H new ATOM 0 HE3 LYS A 21 9.982 -5.542 6.875 1.00 25.33 H new ATOM 0 HZ1 LYS A 21 9.048 -3.841 8.202 1.00 51.31 H new ATOM 0 HZ2 LYS A 21 10.228 -3.097 7.235 1.00 51.31 H new ATOM 0 HZ3 LYS A 21 8.582 -2.923 6.852 1.00 51.31 H new ATOM 347 N ILE A 22 9.593 -2.821 -0.374 1.00 63.14 N ATOM 348 CA ILE A 22 10.361 -2.539 -1.597 1.00 13.24 C ATOM 349 C ILE A 22 9.680 -1.483 -2.488 1.00 50.34 C ATOM 350 O ILE A 22 10.341 -0.605 -3.041 1.00 2.04 O ATOM 351 CB ILE A 22 10.592 -3.836 -2.425 1.00 34.22 C ATOM 352 CG1 ILE A 22 11.412 -4.853 -1.613 1.00 63.42 C ATOM 353 CG2 ILE A 22 11.286 -3.523 -3.755 1.00 63.13 C ATOM 354 CD1 ILE A 22 11.644 -6.171 -2.329 1.00 23.03 C ATOM 0 H ILE A 22 9.093 -3.710 -0.392 1.00 63.14 H new ATOM 0 HA ILE A 22 11.320 -2.139 -1.268 1.00 13.24 H new ATOM 0 HB ILE A 22 9.619 -4.274 -2.648 1.00 34.22 H new ATOM 0 HG12 ILE A 22 12.377 -4.411 -1.365 1.00 63.42 H new ATOM 0 HG13 ILE A 22 10.900 -5.048 -0.671 1.00 63.42 H new ATOM 0 HG21 ILE A 22 11.435 -4.447 -4.314 1.00 63.13 H new ATOM 0 HG22 ILE A 22 10.665 -2.843 -4.338 1.00 63.13 H new ATOM 0 HG23 ILE A 22 12.252 -3.056 -3.561 1.00 63.13 H new ATOM 0 HD11 ILE A 22 12.229 -6.833 -1.691 1.00 23.03 H new ATOM 0 HD12 ILE A 22 10.685 -6.637 -2.553 1.00 23.03 H new ATOM 0 HD13 ILE A 22 12.185 -5.990 -3.258 1.00 23.03 H new ATOM 366 N HIS A 23 8.361 -1.574 -2.640 1.00 42.44 N ATOM 367 CA HIS A 23 7.625 -0.648 -3.516 1.00 11.51 C ATOM 368 C HIS A 23 7.291 0.689 -2.820 1.00 11.32 C ATOM 369 O HIS A 23 7.426 1.756 -3.417 1.00 42.43 O ATOM 370 CB HIS A 23 6.342 -1.310 -4.035 1.00 62.50 C ATOM 371 CG HIS A 23 6.589 -2.478 -4.947 1.00 23.33 C ATOM 372 ND1 HIS A 23 6.906 -3.766 -4.674 1.00 32.43 N flip ATOM 373 CD2 HIS A 23 6.506 -2.397 -6.322 1.00 21.40 C flip ATOM 374 CE1 HIS A 23 7.008 -4.425 -5.870 1.00 44.05 C flip ATOM 375 NE2 HIS A 23 6.762 -3.580 -6.847 1.00 12.21 N flip ATOM 0 H HIS A 23 7.779 -2.271 -2.175 1.00 42.44 H new ATOM 0 HA HIS A 23 8.281 -0.417 -4.356 1.00 11.51 H new ATOM 0 HB2 HIS A 23 5.747 -1.644 -3.185 1.00 62.50 H new ATOM 0 HB3 HIS A 23 5.749 -0.565 -4.566 1.00 62.50 H new ATOM 0 HD1 HIS A 23 7.043 -4.171 -3.748 1.00 32.43 H new ATOM 0 HD2 HIS A 23 6.268 -1.504 -6.881 1.00 21.40 H new ATOM 0 HE1 HIS A 23 7.251 -5.470 -5.991 1.00 44.05 H new ATOM 384 N SER A 24 6.865 0.629 -1.558 1.00 64.20 N ATOM 385 CA SER A 24 6.428 1.833 -0.826 1.00 15.33 C ATOM 386 C SER A 24 7.578 2.824 -0.593 1.00 25.12 C ATOM 387 O SER A 24 7.356 4.031 -0.497 1.00 34.34 O ATOM 388 CB SER A 24 5.810 1.451 0.525 1.00 60.54 C ATOM 389 OG SER A 24 6.773 0.861 1.382 1.00 22.51 O ATOM 0 H SER A 24 6.811 -0.234 -1.017 1.00 64.20 H new ATOM 0 HA SER A 24 5.680 2.322 -1.450 1.00 15.33 H new ATOM 0 HB2 SER A 24 5.392 2.338 1.000 1.00 60.54 H new ATOM 0 HB3 SER A 24 4.986 0.756 0.367 1.00 60.54 H new ATOM 0 HG SER A 24 6.898 -0.079 1.135 1.00 22.51 H new ATOM 395 N ARG A 25 8.809 2.312 -0.518 1.00 34.24 N ATOM 396 CA ARG A 25 9.992 3.158 -0.286 1.00 12.42 C ATOM 397 C ARG A 25 10.243 4.131 -1.455 1.00 64.53 C ATOM 398 O ARG A 25 11.085 5.023 -1.367 1.00 24.13 O ATOM 399 CB ARG A 25 11.232 2.280 -0.036 1.00 1.24 C ATOM 400 CG ARG A 25 11.647 1.413 -1.224 1.00 74.02 C ATOM 401 CD ARG A 25 12.825 0.508 -0.872 1.00 22.41 C ATOM 402 NE ARG A 25 13.196 -0.381 -1.971 1.00 50.03 N ATOM 403 CZ ARG A 25 13.853 -1.498 -1.815 1.00 54.44 C ATOM 404 NH1 ARG A 25 14.161 -1.925 -0.629 1.00 63.10 N ATOM 405 NH2 ARG A 25 14.179 -2.199 -2.850 1.00 11.35 N ATOM 0 H ARG A 25 9.017 1.318 -0.614 1.00 34.24 H new ATOM 0 HA ARG A 25 9.798 3.762 0.600 1.00 12.42 H new ATOM 0 HB2 ARG A 25 12.068 2.924 0.237 1.00 1.24 H new ATOM 0 HB3 ARG A 25 11.036 1.633 0.819 1.00 1.24 H new ATOM 0 HG2 ARG A 25 10.802 0.804 -1.544 1.00 74.02 H new ATOM 0 HG3 ARG A 25 11.916 2.052 -2.065 1.00 74.02 H new ATOM 0 HD2 ARG A 25 13.683 1.123 -0.601 1.00 22.41 H new ATOM 0 HD3 ARG A 25 12.571 -0.089 0.004 1.00 22.41 H new ATOM 0 HE ARG A 25 12.925 -0.112 -2.917 1.00 50.03 H new ATOM 0 HH11 ARG A 25 13.889 -1.386 0.193 1.00 63.10 H new ATOM 0 HH12 ARG A 25 14.675 -2.799 -0.519 1.00 63.10 H new ATOM 0 HH21 ARG A 25 13.923 -1.879 -3.784 1.00 11.35 H new ATOM 0 HH22 ARG A 25 14.692 -3.073 -2.733 1.00 11.35 H new ATOM 419 N LYS A 26 9.504 3.953 -2.550 1.00 31.02 N ATOM 420 CA LYS A 26 9.585 4.859 -3.701 1.00 63.24 C ATOM 421 C LYS A 26 8.612 6.048 -3.567 1.00 64.23 C ATOM 422 O LYS A 26 8.555 6.916 -4.444 1.00 60.12 O ATOM 423 CB LYS A 26 9.298 4.089 -5.001 1.00 65.31 C ATOM 424 CG LYS A 26 10.357 3.040 -5.346 1.00 25.12 C ATOM 425 CD LYS A 26 11.727 3.672 -5.613 1.00 63.22 C ATOM 426 CE LYS A 26 11.687 4.630 -6.800 1.00 20.25 C ATOM 427 NZ LYS A 26 12.975 5.354 -6.987 1.00 74.13 N ATOM 0 H LYS A 26 8.840 3.188 -2.666 1.00 31.02 H new ATOM 0 HA LYS A 26 10.597 5.262 -3.731 1.00 63.24 H new ATOM 0 HB2 LYS A 26 8.329 3.598 -4.915 1.00 65.31 H new ATOM 0 HB3 LYS A 26 9.223 4.800 -5.824 1.00 65.31 H new ATOM 0 HG2 LYS A 26 10.441 2.326 -4.526 1.00 25.12 H new ATOM 0 HG3 LYS A 26 10.039 2.480 -6.225 1.00 25.12 H new ATOM 0 HD2 LYS A 26 12.059 4.208 -4.724 1.00 63.22 H new ATOM 0 HD3 LYS A 26 12.459 2.887 -5.804 1.00 63.22 H new ATOM 0 HE2 LYS A 26 11.452 4.072 -7.706 1.00 20.25 H new ATOM 0 HE3 LYS A 26 10.885 5.353 -6.653 1.00 20.25 H new ATOM 0 HZ1 LYS A 26 12.899 5.992 -7.805 1.00 74.13 H new ATOM 0 HZ2 LYS A 26 13.189 5.908 -6.133 1.00 74.13 H new ATOM 0 HZ3 LYS A 26 13.738 4.667 -7.154 1.00 74.13 H new ATOM 441 N MET A 27 7.851 6.090 -2.473 1.00 73.41 N ATOM 442 CA MET A 27 6.892 7.177 -2.228 1.00 0.13 C ATOM 443 C MET A 27 7.164 7.875 -0.886 1.00 51.22 C ATOM 444 O MET A 27 7.832 7.325 -0.009 1.00 2.23 O ATOM 445 CB MET A 27 5.455 6.636 -2.241 1.00 41.32 C ATOM 446 CG MET A 27 5.037 6.011 -3.565 1.00 64.25 C ATOM 447 SD MET A 27 3.313 5.476 -3.565 1.00 70.32 S ATOM 448 CE MET A 27 3.304 4.306 -2.206 1.00 42.22 C ATOM 0 H MET A 27 7.878 5.383 -1.738 1.00 73.41 H new ATOM 0 HA MET A 27 7.014 7.907 -3.028 1.00 0.13 H new ATOM 0 HB2 MET A 27 5.352 5.892 -1.452 1.00 41.32 H new ATOM 0 HB3 MET A 27 4.770 7.450 -2.003 1.00 41.32 H new ATOM 0 HG2 MET A 27 5.190 6.732 -4.368 1.00 64.25 H new ATOM 0 HG3 MET A 27 5.679 5.156 -3.778 1.00 64.25 H new ATOM 0 HE1 MET A 27 2.645 3.472 -2.448 1.00 42.22 H new ATOM 0 HE2 MET A 27 4.315 3.934 -2.040 1.00 42.22 H new ATOM 0 HE3 MET A 27 2.946 4.800 -1.303 1.00 42.22 H new ATOM 458 N ASN A 28 6.635 9.088 -0.732 1.00 62.24 N ATOM 459 CA ASN A 28 6.766 9.837 0.523 1.00 72.30 C ATOM 460 C ASN A 28 5.777 9.309 1.573 1.00 63.50 C ATOM 461 O ASN A 28 4.620 9.719 1.607 1.00 33.14 O ATOM 462 CB ASN A 28 6.514 11.332 0.286 1.00 22.40 C ATOM 463 CG ASN A 28 7.401 11.915 -0.796 1.00 50.43 C ATOM 464 OD1 ASN A 28 8.517 11.461 -1.020 1.00 14.34 O ATOM 465 ND2 ASN A 28 6.910 12.932 -1.474 1.00 10.50 N ATOM 0 H ASN A 28 6.111 9.575 -1.459 1.00 62.24 H new ATOM 0 HA ASN A 28 7.782 9.701 0.892 1.00 72.30 H new ATOM 0 HB2 ASN A 28 5.470 11.480 0.012 1.00 22.40 H new ATOM 0 HB3 ASN A 28 6.679 11.875 1.216 1.00 22.40 H new ATOM 0 HD21 ASN A 28 7.463 13.367 -2.212 1.00 10.50 H new ATOM 0 HD22 ASN A 28 5.977 13.284 -1.261 1.00 10.50 H new ATOM 472 N LEU A 29 6.234 8.396 2.421 1.00 60.43 N ATOM 473 CA LEU A 29 5.360 7.760 3.416 1.00 2.41 C ATOM 474 C LEU A 29 5.201 8.625 4.675 1.00 14.13 C ATOM 475 O LEU A 29 6.096 9.389 5.037 1.00 73.51 O ATOM 476 CB LEU A 29 5.918 6.383 3.807 1.00 73.55 C ATOM 477 CG LEU A 29 6.104 5.392 2.645 1.00 53.01 C ATOM 478 CD1 LEU A 29 6.671 4.063 3.145 1.00 63.10 C ATOM 479 CD2 LEU A 29 4.784 5.175 1.904 1.00 30.31 C ATOM 0 H LEU A 29 7.202 8.075 2.445 1.00 60.43 H new ATOM 0 HA LEU A 29 4.377 7.645 2.959 1.00 2.41 H new ATOM 0 HB2 LEU A 29 6.881 6.526 4.298 1.00 73.55 H new ATOM 0 HB3 LEU A 29 5.249 5.934 4.541 1.00 73.55 H new ATOM 0 HG LEU A 29 6.821 5.821 1.946 1.00 53.01 H new ATOM 0 HD11 LEU A 29 6.793 3.380 2.304 1.00 63.10 H new ATOM 0 HD12 LEU A 29 7.639 4.235 3.616 1.00 63.10 H new ATOM 0 HD13 LEU A 29 5.986 3.625 3.871 1.00 63.10 H new ATOM 0 HD21 LEU A 29 4.937 4.471 1.086 1.00 30.31 H new ATOM 0 HD22 LEU A 29 4.041 4.774 2.594 1.00 30.31 H new ATOM 0 HD23 LEU A 29 4.431 6.125 1.503 1.00 30.31 H new ATOM 491 N THR A 30 4.048 8.507 5.329 1.00 74.11 N ATOM 492 CA THR A 30 3.819 9.167 6.622 1.00 23.13 C ATOM 493 C THR A 30 4.751 8.598 7.702 1.00 43.44 C ATOM 494 O THR A 30 5.101 7.419 7.674 1.00 61.22 O ATOM 495 CB THR A 30 2.351 9.010 7.096 1.00 71.23 C ATOM 496 OG1 THR A 30 2.182 9.588 8.401 1.00 32.44 O ATOM 497 CG2 THR A 30 1.936 7.545 7.142 1.00 44.33 C ATOM 0 H THR A 30 3.255 7.962 4.989 1.00 74.11 H new ATOM 0 HA THR A 30 4.031 10.226 6.474 1.00 23.13 H new ATOM 0 HB THR A 30 1.718 9.531 6.377 1.00 71.23 H new ATOM 0 HG1 THR A 30 1.251 9.483 8.687 1.00 32.44 H new ATOM 0 HG21 THR A 30 0.902 7.470 7.478 1.00 44.33 H new ATOM 0 HG22 THR A 30 2.026 7.110 6.147 1.00 44.33 H new ATOM 0 HG23 THR A 30 2.582 7.005 7.834 1.00 44.33 H new ATOM 505 N ARG A 31 5.148 9.435 8.657 1.00 5.13 N ATOM 506 CA ARG A 31 6.052 8.996 9.730 1.00 23.21 C ATOM 507 C ARG A 31 5.387 7.968 10.670 1.00 0.21 C ATOM 508 O ARG A 31 6.065 7.280 11.436 1.00 45.31 O ATOM 509 CB ARG A 31 6.597 10.208 10.516 1.00 11.41 C ATOM 510 CG ARG A 31 5.552 11.229 10.983 1.00 42.20 C ATOM 511 CD ARG A 31 4.645 10.690 12.089 1.00 10.41 C ATOM 512 NE ARG A 31 5.409 10.091 13.182 1.00 72.33 N ATOM 513 CZ ARG A 31 4.875 9.476 14.203 1.00 15.44 C ATOM 514 NH1 ARG A 31 3.589 9.426 14.345 1.00 2.12 N ATOM 515 NH2 ARG A 31 5.635 8.923 15.088 1.00 15.51 N ATOM 0 H ARG A 31 4.864 10.413 8.715 1.00 5.13 H new ATOM 0 HA ARG A 31 6.894 8.489 9.258 1.00 23.21 H new ATOM 0 HB2 ARG A 31 7.132 9.838 11.391 1.00 11.41 H new ATOM 0 HB3 ARG A 31 7.326 10.724 9.891 1.00 11.41 H new ATOM 0 HG2 ARG A 31 6.061 12.124 11.341 1.00 42.20 H new ATOM 0 HG3 ARG A 31 4.940 11.529 10.133 1.00 42.20 H new ATOM 0 HD2 ARG A 31 4.029 11.500 12.479 1.00 10.41 H new ATOM 0 HD3 ARG A 31 3.967 9.946 11.671 1.00 10.41 H new ATOM 0 HE ARG A 31 6.426 10.158 13.145 1.00 72.33 H new ATOM 0 HH11 ARG A 31 2.982 9.870 13.656 1.00 2.12 H new ATOM 0 HH12 ARG A 31 3.183 8.943 15.146 1.00 2.12 H new ATOM 0 HH21 ARG A 31 6.649 8.967 14.989 1.00 15.51 H new ATOM 0 HH22 ARG A 31 5.221 8.442 15.887 1.00 15.51 H new ATOM 529 N GLY A 32 4.061 7.875 10.606 1.00 30.32 N ATOM 530 CA GLY A 32 3.322 6.897 11.403 1.00 54.14 C ATOM 531 C GLY A 32 2.554 5.913 10.530 1.00 51.42 C ATOM 532 O GLY A 32 1.359 6.091 10.285 1.00 31.55 O ATOM 0 H GLY A 32 3.476 8.463 10.012 1.00 30.32 H new ATOM 0 HA2 GLY A 32 4.016 6.350 12.041 1.00 54.14 H new ATOM 0 HA3 GLY A 32 2.626 7.417 12.061 1.00 54.14 H new ATOM 536 N ILE A 33 3.240 4.880 10.043 1.00 73.43 N ATOM 537 CA ILE A 33 2.639 3.924 9.111 1.00 63.03 C ATOM 538 C ILE A 33 2.985 2.470 9.478 1.00 44.14 C ATOM 539 O ILE A 33 4.111 2.164 9.878 1.00 33.31 O ATOM 540 CB ILE A 33 3.107 4.218 7.659 1.00 61.14 C ATOM 541 CG1 ILE A 33 2.295 3.396 6.644 1.00 22.53 C ATOM 542 CG2 ILE A 33 4.609 3.960 7.497 1.00 32.40 C ATOM 543 CD1 ILE A 33 2.689 3.640 5.201 1.00 51.45 C ATOM 0 H ILE A 33 4.213 4.683 10.278 1.00 73.43 H new ATOM 0 HA ILE A 33 1.558 4.042 9.180 1.00 63.03 H new ATOM 0 HB ILE A 33 2.928 5.274 7.459 1.00 61.14 H new ATOM 0 HG12 ILE A 33 2.416 2.336 6.869 1.00 22.53 H new ATOM 0 HG13 ILE A 33 1.237 3.629 6.766 1.00 22.53 H new ATOM 0 HG21 ILE A 33 4.906 4.175 6.471 1.00 32.40 H new ATOM 0 HG22 ILE A 33 5.164 4.605 8.178 1.00 32.40 H new ATOM 0 HG23 ILE A 33 4.826 2.917 7.727 1.00 32.40 H new ATOM 0 HD11 ILE A 33 2.072 3.025 4.546 1.00 51.45 H new ATOM 0 HD12 ILE A 33 2.541 4.692 4.956 1.00 51.45 H new ATOM 0 HD13 ILE A 33 3.738 3.379 5.061 1.00 51.45 H new ATOM 555 N ASN A 34 2.008 1.574 9.340 1.00 12.34 N ATOM 556 CA ASN A 34 2.224 0.145 9.586 1.00 61.34 C ATOM 557 C ASN A 34 1.823 -0.696 8.362 1.00 31.41 C ATOM 558 O ASN A 34 0.648 -1.029 8.177 1.00 63.12 O ATOM 559 CB ASN A 34 1.442 -0.314 10.821 1.00 61.31 C ATOM 560 CG ASN A 34 1.715 -1.767 11.174 1.00 5.13 C ATOM 561 OD1 ASN A 34 2.789 -2.292 10.906 1.00 23.30 O ATOM 562 ND2 ASN A 34 0.752 -2.430 11.776 1.00 13.21 N ATOM 0 H ASN A 34 1.057 1.811 9.059 1.00 12.34 H new ATOM 0 HA ASN A 34 3.288 -0.004 9.768 1.00 61.34 H new ATOM 0 HB2 ASN A 34 1.704 0.318 11.669 1.00 61.31 H new ATOM 0 HB3 ASN A 34 0.375 -0.181 10.642 1.00 61.31 H new ATOM 0 HD21 ASN A 34 0.889 -3.408 12.032 1.00 13.21 H new ATOM 0 HD22 ASN A 34 -0.132 -1.967 11.987 1.00 13.21 H new ATOM 569 N LEU A 35 2.808 -1.036 7.535 1.00 70.52 N ATOM 570 CA LEU A 35 2.571 -1.838 6.329 1.00 44.43 C ATOM 571 C LEU A 35 2.076 -3.253 6.677 1.00 73.22 C ATOM 572 O LEU A 35 1.378 -3.889 5.885 1.00 71.41 O ATOM 573 CB LEU A 35 3.857 -1.922 5.495 1.00 30.10 C ATOM 574 CG LEU A 35 4.402 -0.576 4.984 1.00 52.05 C ATOM 575 CD1 LEU A 35 5.720 -0.777 4.240 1.00 61.20 C ATOM 576 CD2 LEU A 35 3.374 0.118 4.090 1.00 34.10 C ATOM 0 H LEU A 35 3.783 -0.770 7.675 1.00 70.52 H new ATOM 0 HA LEU A 35 1.791 -1.346 5.748 1.00 44.43 H new ATOM 0 HB2 LEU A 35 4.629 -2.402 6.096 1.00 30.10 H new ATOM 0 HB3 LEU A 35 3.672 -2.569 4.637 1.00 30.10 H new ATOM 0 HG LEU A 35 4.592 0.066 5.844 1.00 52.05 H new ATOM 0 HD11 LEU A 35 6.089 0.186 3.887 1.00 61.20 H new ATOM 0 HD12 LEU A 35 6.453 -1.222 4.913 1.00 61.20 H new ATOM 0 HD13 LEU A 35 5.560 -1.439 3.389 1.00 61.20 H new ATOM 0 HD21 LEU A 35 3.779 1.067 3.739 1.00 34.10 H new ATOM 0 HD22 LEU A 35 3.148 -0.518 3.234 1.00 34.10 H new ATOM 0 HD23 LEU A 35 2.462 0.300 4.658 1.00 34.10 H new ATOM 588 N ARG A 36 2.430 -3.735 7.869 1.00 21.15 N ATOM 589 CA ARG A 36 2.037 -5.080 8.309 1.00 35.44 C ATOM 590 C ARG A 36 0.511 -5.188 8.479 1.00 43.42 C ATOM 591 O ARG A 36 -0.096 -6.176 8.070 1.00 30.25 O ATOM 592 CB ARG A 36 2.744 -5.444 9.622 1.00 14.52 C ATOM 593 CG ARG A 36 2.550 -6.897 10.046 1.00 61.52 C ATOM 594 CD ARG A 36 3.356 -7.227 11.294 1.00 73.04 C ATOM 595 NE ARG A 36 3.275 -8.645 11.638 1.00 54.10 N ATOM 596 CZ ARG A 36 4.062 -9.239 12.491 1.00 54.02 C ATOM 597 NH1 ARG A 36 4.980 -8.578 13.117 1.00 44.22 N ATOM 598 NH2 ARG A 36 3.934 -10.502 12.712 1.00 42.45 N ATOM 0 H ARG A 36 2.987 -3.217 8.548 1.00 21.15 H new ATOM 0 HA ARG A 36 2.342 -5.786 7.536 1.00 35.44 H new ATOM 0 HB2 ARG A 36 3.811 -5.246 9.516 1.00 14.52 H new ATOM 0 HB3 ARG A 36 2.376 -4.792 10.414 1.00 14.52 H new ATOM 0 HG2 ARG A 36 1.493 -7.084 10.235 1.00 61.52 H new ATOM 0 HG3 ARG A 36 2.850 -7.558 9.233 1.00 61.52 H new ATOM 0 HD2 ARG A 36 4.399 -6.951 11.136 1.00 73.04 H new ATOM 0 HD3 ARG A 36 2.991 -6.630 12.130 1.00 73.04 H new ATOM 0 HE ARG A 36 2.556 -9.206 11.181 1.00 54.10 H new ATOM 0 HH11 ARG A 36 5.095 -7.579 12.946 1.00 44.22 H new ATOM 0 HH12 ARG A 36 5.589 -9.055 13.782 1.00 44.22 H new ATOM 0 HH21 ARG A 36 3.218 -11.036 12.220 1.00 42.45 H new ATOM 0 HH22 ARG A 36 4.549 -10.968 13.379 1.00 42.45 H new ATOM 612 N LYS A 37 -0.105 -4.159 9.067 1.00 34.31 N ATOM 613 CA LYS A 37 -1.565 -4.122 9.232 1.00 54.35 C ATOM 614 C LYS A 37 -2.263 -4.225 7.868 1.00 3.51 C ATOM 615 O LYS A 37 -3.274 -4.908 7.717 1.00 30.53 O ATOM 616 CB LYS A 37 -1.970 -2.827 9.956 1.00 61.02 C ATOM 617 CG LYS A 37 -3.439 -2.751 10.376 1.00 3.31 C ATOM 618 CD LYS A 37 -4.314 -2.040 9.340 1.00 50.40 C ATOM 619 CE LYS A 37 -5.677 -1.694 9.928 1.00 32.44 C ATOM 620 NZ LYS A 37 -6.488 -0.829 9.029 1.00 31.44 N ATOM 0 H LYS A 37 0.381 -3.342 9.437 1.00 34.31 H new ATOM 0 HA LYS A 37 -1.878 -4.975 9.834 1.00 54.35 H new ATOM 0 HB2 LYS A 37 -1.348 -2.716 10.844 1.00 61.02 H new ATOM 0 HB3 LYS A 37 -1.750 -1.981 9.305 1.00 61.02 H new ATOM 0 HG2 LYS A 37 -3.820 -3.760 10.536 1.00 3.31 H new ATOM 0 HG3 LYS A 37 -3.513 -2.227 11.329 1.00 3.31 H new ATOM 0 HD2 LYS A 37 -3.818 -1.131 9.001 1.00 50.40 H new ATOM 0 HD3 LYS A 37 -4.442 -2.678 8.466 1.00 50.40 H new ATOM 0 HE2 LYS A 37 -6.225 -2.614 10.131 1.00 32.44 H new ATOM 0 HE3 LYS A 37 -5.538 -1.188 10.884 1.00 32.44 H new ATOM 0 HZ1 LYS A 37 -7.114 -0.226 9.600 1.00 31.44 H new ATOM 0 HZ2 LYS A 37 -5.856 -0.231 8.460 1.00 31.44 H new ATOM 0 HZ3 LYS A 37 -7.061 -1.425 8.398 1.00 31.44 H new ATOM 634 N ILE A 38 -1.702 -3.537 6.881 1.00 52.10 N ATOM 635 CA ILE A 38 -2.189 -3.614 5.502 1.00 72.33 C ATOM 636 C ILE A 38 -2.008 -5.035 4.943 1.00 3.33 C ATOM 637 O ILE A 38 -2.894 -5.577 4.284 1.00 73.45 O ATOM 638 CB ILE A 38 -1.443 -2.606 4.589 1.00 14.30 C ATOM 639 CG1 ILE A 38 -1.471 -1.196 5.209 1.00 25.13 C ATOM 640 CG2 ILE A 38 -2.043 -2.595 3.181 1.00 41.31 C ATOM 641 CD1 ILE A 38 -2.866 -0.661 5.469 1.00 62.32 C ATOM 0 H ILE A 38 -0.904 -2.915 7.008 1.00 52.10 H new ATOM 0 HA ILE A 38 -3.249 -3.362 5.514 1.00 72.33 H new ATOM 0 HB ILE A 38 -0.404 -2.924 4.506 1.00 14.30 H new ATOM 0 HG12 ILE A 38 -0.919 -1.213 6.149 1.00 25.13 H new ATOM 0 HG13 ILE A 38 -0.948 -0.508 4.545 1.00 25.13 H new ATOM 0 HG21 ILE A 38 -1.502 -1.880 2.561 1.00 41.31 H new ATOM 0 HG22 ILE A 38 -1.962 -3.590 2.743 1.00 41.31 H new ATOM 0 HG23 ILE A 38 -3.093 -2.307 3.235 1.00 41.31 H new ATOM 0 HD11 ILE A 38 -2.798 0.335 5.906 1.00 62.32 H new ATOM 0 HD12 ILE A 38 -3.417 -0.609 4.530 1.00 62.32 H new ATOM 0 HD13 ILE A 38 -3.387 -1.325 6.159 1.00 62.32 H new ATOM 653 N ALA A 39 -0.848 -5.633 5.228 1.00 62.24 N ATOM 654 CA ALA A 39 -0.543 -7.001 4.794 1.00 33.14 C ATOM 655 C ALA A 39 -1.546 -8.026 5.358 1.00 13.12 C ATOM 656 O ALA A 39 -1.899 -9.001 4.685 1.00 30.54 O ATOM 657 CB ALA A 39 0.881 -7.367 5.206 1.00 11.22 C ATOM 0 H ALA A 39 -0.100 -5.189 5.761 1.00 62.24 H new ATOM 0 HA ALA A 39 -0.629 -7.033 3.708 1.00 33.14 H new ATOM 0 HB1 ALA A 39 1.104 -8.384 4.882 1.00 11.22 H new ATOM 0 HB2 ALA A 39 1.584 -6.676 4.740 1.00 11.22 H new ATOM 0 HB3 ALA A 39 0.974 -7.303 6.290 1.00 11.22 H new ATOM 663 N GLU A 40 -1.994 -7.804 6.593 1.00 24.05 N ATOM 664 CA GLU A 40 -3.000 -8.670 7.227 1.00 10.12 C ATOM 665 C GLU A 40 -4.371 -8.531 6.544 1.00 10.03 C ATOM 666 O GLU A 40 -5.191 -9.451 6.578 1.00 40.02 O ATOM 667 CB GLU A 40 -3.136 -8.334 8.718 1.00 54.12 C ATOM 668 CG GLU A 40 -1.860 -8.552 9.521 1.00 33.14 C ATOM 669 CD GLU A 40 -2.035 -8.226 10.997 1.00 55.11 C ATOM 670 OE1 GLU A 40 -1.853 -7.050 11.380 1.00 0.44 O ATOM 671 OE2 GLU A 40 -2.368 -9.139 11.780 1.00 12.42 O ATOM 0 H GLU A 40 -1.678 -7.031 7.179 1.00 24.05 H new ATOM 0 HA GLU A 40 -2.660 -9.700 7.116 1.00 10.12 H new ATOM 0 HB2 GLU A 40 -3.443 -7.293 8.819 1.00 54.12 H new ATOM 0 HB3 GLU A 40 -3.931 -8.944 9.146 1.00 54.12 H new ATOM 0 HG2 GLU A 40 -1.542 -9.589 9.417 1.00 33.14 H new ATOM 0 HG3 GLU A 40 -1.064 -7.932 9.108 1.00 33.14 H new ATOM 678 N LEU A 41 -4.613 -7.373 5.932 1.00 71.43 N ATOM 679 CA LEU A 41 -5.876 -7.109 5.227 1.00 30.35 C ATOM 680 C LEU A 41 -5.887 -7.734 3.822 1.00 52.44 C ATOM 681 O LEU A 41 -6.883 -7.645 3.102 1.00 74.41 O ATOM 682 CB LEU A 41 -6.117 -5.596 5.126 1.00 43.12 C ATOM 683 CG LEU A 41 -6.273 -4.859 6.469 1.00 65.44 C ATOM 684 CD1 LEU A 41 -6.406 -3.352 6.249 1.00 64.41 C ATOM 685 CD2 LEU A 41 -7.474 -5.399 7.247 1.00 54.41 C ATOM 0 H LEU A 41 -3.951 -6.597 5.908 1.00 71.43 H new ATOM 0 HA LEU A 41 -6.678 -7.570 5.804 1.00 30.35 H new ATOM 0 HB2 LEU A 41 -5.286 -5.149 4.580 1.00 43.12 H new ATOM 0 HB3 LEU A 41 -7.016 -5.428 4.532 1.00 43.12 H new ATOM 0 HG LEU A 41 -5.375 -5.038 7.060 1.00 65.44 H new ATOM 0 HD11 LEU A 41 -6.515 -2.852 7.211 1.00 64.41 H new ATOM 0 HD12 LEU A 41 -5.515 -2.978 5.745 1.00 64.41 H new ATOM 0 HD13 LEU A 41 -7.283 -3.150 5.634 1.00 64.41 H new ATOM 0 HD21 LEU A 41 -7.565 -4.864 8.192 1.00 54.41 H new ATOM 0 HD22 LEU A 41 -8.381 -5.257 6.660 1.00 54.41 H new ATOM 0 HD23 LEU A 41 -7.332 -6.462 7.444 1.00 54.41 H new ATOM 697 N MET A 42 -4.774 -8.362 3.438 1.00 44.25 N ATOM 698 CA MET A 42 -4.657 -9.010 2.124 1.00 71.23 C ATOM 699 C MET A 42 -4.406 -10.527 2.255 1.00 13.34 C ATOM 700 O MET A 42 -3.280 -10.998 2.070 1.00 44.35 O ATOM 701 CB MET A 42 -3.518 -8.365 1.318 1.00 2.42 C ATOM 702 CG MET A 42 -3.673 -6.863 1.124 1.00 2.33 C ATOM 703 SD MET A 42 -2.330 -6.146 0.151 1.00 64.34 S ATOM 704 CE MET A 42 -2.541 -7.002 -1.407 1.00 12.44 C ATOM 0 H MET A 42 -3.938 -8.437 4.017 1.00 44.25 H new ATOM 0 HA MET A 42 -5.603 -8.869 1.602 1.00 71.23 H new ATOM 0 HB2 MET A 42 -2.572 -8.560 1.824 1.00 2.42 H new ATOM 0 HB3 MET A 42 -3.462 -8.844 0.340 1.00 2.42 H new ATOM 0 HG2 MET A 42 -4.623 -6.660 0.630 1.00 2.33 H new ATOM 0 HG3 MET A 42 -3.711 -6.376 2.099 1.00 2.33 H new ATOM 0 HE1 MET A 42 -2.375 -6.306 -2.230 1.00 12.44 H new ATOM 0 HE2 MET A 42 -1.823 -7.820 -1.473 1.00 12.44 H new ATOM 0 HE3 MET A 42 -3.553 -7.402 -1.468 1.00 12.44 H new ATOM 714 N PRO A 43 -5.446 -11.318 2.589 1.00 44.25 N ATOM 715 CA PRO A 43 -5.319 -12.778 2.706 1.00 45.40 C ATOM 716 C PRO A 43 -5.383 -13.488 1.340 1.00 51.33 C ATOM 717 O PRO A 43 -6.436 -13.548 0.702 1.00 43.34 O ATOM 718 CB PRO A 43 -6.521 -13.149 3.581 1.00 50.14 C ATOM 719 CG PRO A 43 -7.562 -12.131 3.246 1.00 11.32 C ATOM 720 CD PRO A 43 -6.823 -10.861 2.885 1.00 11.42 C ATOM 0 HA PRO A 43 -4.359 -13.083 3.122 1.00 45.40 H new ATOM 0 HB2 PRO A 43 -6.871 -14.159 3.366 1.00 50.14 H new ATOM 0 HB3 PRO A 43 -6.264 -13.119 4.640 1.00 50.14 H new ATOM 0 HG2 PRO A 43 -8.181 -12.469 2.415 1.00 11.32 H new ATOM 0 HG3 PRO A 43 -8.228 -11.965 4.093 1.00 11.32 H new ATOM 0 HD2 PRO A 43 -7.274 -10.368 2.023 1.00 11.42 H new ATOM 0 HD3 PRO A 43 -6.838 -10.144 3.706 1.00 11.42 H new ATOM 728 N GLY A 44 -4.245 -14.013 0.887 1.00 24.33 N ATOM 729 CA GLY A 44 -4.197 -14.715 -0.392 1.00 4.05 C ATOM 730 C GLY A 44 -4.204 -13.778 -1.599 1.00 73.11 C ATOM 731 O GLY A 44 -5.004 -13.943 -2.523 1.00 22.22 O ATOM 0 H GLY A 44 -3.354 -13.966 1.381 1.00 24.33 H new ATOM 0 HA2 GLY A 44 -3.299 -15.332 -0.426 1.00 4.05 H new ATOM 0 HA3 GLY A 44 -5.050 -15.390 -0.460 1.00 4.05 H new ATOM 735 N ALA A 45 -3.313 -12.793 -1.590 1.00 40.41 N ATOM 736 CA ALA A 45 -3.175 -11.854 -2.709 1.00 45.53 C ATOM 737 C ALA A 45 -1.794 -11.997 -3.371 1.00 64.54 C ATOM 738 O ALA A 45 -0.776 -12.060 -2.683 1.00 53.02 O ATOM 739 CB ALA A 45 -3.388 -10.426 -2.221 1.00 44.34 C ATOM 0 H ALA A 45 -2.670 -12.619 -0.818 1.00 40.41 H new ATOM 0 HA ALA A 45 -3.934 -12.087 -3.455 1.00 45.53 H new ATOM 0 HB1 ALA A 45 -3.284 -9.736 -3.058 1.00 44.34 H new ATOM 0 HB2 ALA A 45 -4.387 -10.332 -1.796 1.00 44.34 H new ATOM 0 HB3 ALA A 45 -2.646 -10.187 -1.459 1.00 44.34 H new ATOM 745 N SER A 46 -1.766 -12.053 -4.701 1.00 34.04 N ATOM 746 CA SER A 46 -0.506 -12.238 -5.446 1.00 22.43 C ATOM 747 C SER A 46 0.364 -10.970 -5.434 1.00 40.44 C ATOM 748 O SER A 46 -0.070 -9.902 -4.990 1.00 14.11 O ATOM 749 CB SER A 46 -0.794 -12.626 -6.903 1.00 5.13 C ATOM 750 OG SER A 46 -1.360 -11.537 -7.622 1.00 20.03 O ATOM 0 H SER A 46 -2.595 -11.974 -5.290 1.00 34.04 H new ATOM 0 HA SER A 46 0.040 -13.038 -4.945 1.00 22.43 H new ATOM 0 HB2 SER A 46 0.129 -12.944 -7.387 1.00 5.13 H new ATOM 0 HB3 SER A 46 -1.476 -13.476 -6.928 1.00 5.13 H new ATOM 0 HG SER A 46 -1.532 -11.810 -8.547 1.00 20.03 H new ATOM 756 N GLY A 47 1.590 -11.093 -5.951 1.00 74.12 N ATOM 757 CA GLY A 47 2.493 -9.947 -6.031 1.00 21.21 C ATOM 758 C GLY A 47 1.915 -8.790 -6.840 1.00 15.33 C ATOM 759 O GLY A 47 2.172 -7.623 -6.540 1.00 71.22 O ATOM 0 H GLY A 47 1.974 -11.965 -6.316 1.00 74.12 H new ATOM 0 HA2 GLY A 47 2.722 -9.600 -5.023 1.00 21.21 H new ATOM 0 HA3 GLY A 47 3.434 -10.263 -6.481 1.00 21.21 H new ATOM 763 N ALA A 48 1.125 -9.115 -7.862 1.00 32.42 N ATOM 764 CA ALA A 48 0.456 -8.097 -8.680 1.00 11.53 C ATOM 765 C ALA A 48 -0.570 -7.302 -7.862 1.00 41.05 C ATOM 766 O ALA A 48 -0.740 -6.095 -8.056 1.00 23.02 O ATOM 767 CB ALA A 48 -0.213 -8.746 -9.887 1.00 73.43 C ATOM 0 H ALA A 48 0.931 -10.075 -8.146 1.00 32.42 H new ATOM 0 HA ALA A 48 1.215 -7.397 -9.029 1.00 11.53 H new ATOM 0 HB1 ALA A 48 -0.706 -7.980 -10.486 1.00 73.43 H new ATOM 0 HB2 ALA A 48 0.540 -9.251 -10.492 1.00 73.43 H new ATOM 0 HB3 ALA A 48 -0.952 -9.472 -9.547 1.00 73.43 H new ATOM 773 N GLU A 49 -1.242 -7.984 -6.938 1.00 31.45 N ATOM 774 CA GLU A 49 -2.220 -7.341 -6.055 1.00 4.24 C ATOM 775 C GLU A 49 -1.518 -6.438 -5.030 1.00 64.31 C ATOM 776 O GLU A 49 -1.948 -5.311 -4.777 1.00 32.44 O ATOM 777 CB GLU A 49 -3.057 -8.405 -5.331 1.00 22.34 C ATOM 778 CG GLU A 49 -3.739 -9.401 -6.265 1.00 33.24 C ATOM 779 CD GLU A 49 -4.725 -8.746 -7.221 1.00 55.23 C ATOM 780 OE1 GLU A 49 -4.308 -8.309 -8.318 1.00 42.24 O ATOM 781 OE2 GLU A 49 -5.927 -8.678 -6.884 1.00 44.12 O ATOM 0 H GLU A 49 -1.129 -8.985 -6.779 1.00 31.45 H new ATOM 0 HA GLU A 49 -2.878 -6.723 -6.665 1.00 4.24 H new ATOM 0 HB2 GLU A 49 -2.413 -8.951 -4.642 1.00 22.34 H new ATOM 0 HB3 GLU A 49 -3.818 -7.907 -4.730 1.00 22.34 H new ATOM 0 HG2 GLU A 49 -2.979 -9.928 -6.842 1.00 33.24 H new ATOM 0 HG3 GLU A 49 -4.262 -10.149 -5.669 1.00 33.24 H new ATOM 788 N VAL A 50 -0.429 -6.946 -4.448 1.00 54.14 N ATOM 789 CA VAL A 50 0.400 -6.163 -3.523 1.00 63.04 C ATOM 790 C VAL A 50 0.973 -4.919 -4.227 1.00 53.50 C ATOM 791 O VAL A 50 1.007 -3.820 -3.665 1.00 10.45 O ATOM 792 CB VAL A 50 1.563 -7.020 -2.955 1.00 33.24 C ATOM 793 CG1 VAL A 50 2.418 -6.212 -1.980 1.00 40.34 C ATOM 794 CG2 VAL A 50 1.026 -8.287 -2.285 1.00 11.45 C ATOM 0 H VAL A 50 -0.098 -7.899 -4.600 1.00 54.14 H new ATOM 0 HA VAL A 50 -0.237 -5.845 -2.698 1.00 63.04 H new ATOM 0 HB VAL A 50 2.198 -7.317 -3.789 1.00 33.24 H new ATOM 0 HG11 VAL A 50 3.225 -6.838 -1.598 1.00 40.34 H new ATOM 0 HG12 VAL A 50 2.841 -5.350 -2.495 1.00 40.34 H new ATOM 0 HG13 VAL A 50 1.799 -5.871 -1.150 1.00 40.34 H new ATOM 0 HG21 VAL A 50 1.858 -8.873 -1.894 1.00 11.45 H new ATOM 0 HG22 VAL A 50 0.360 -8.012 -1.467 1.00 11.45 H new ATOM 0 HG23 VAL A 50 0.477 -8.880 -3.016 1.00 11.45 H new ATOM 804 N LYS A 51 1.413 -5.103 -5.469 1.00 63.15 N ATOM 805 CA LYS A 51 1.890 -3.997 -6.302 1.00 61.22 C ATOM 806 C LYS A 51 0.769 -2.974 -6.554 1.00 20.12 C ATOM 807 O LYS A 51 1.011 -1.763 -6.583 1.00 12.21 O ATOM 808 CB LYS A 51 2.421 -4.549 -7.633 1.00 64.24 C ATOM 809 CG LYS A 51 2.966 -3.485 -8.584 1.00 33.25 C ATOM 810 CD LYS A 51 3.545 -4.104 -9.857 1.00 43.04 C ATOM 811 CE LYS A 51 2.494 -4.873 -10.658 1.00 63.31 C ATOM 812 NZ LYS A 51 1.443 -3.979 -11.213 1.00 12.11 N ATOM 0 H LYS A 51 1.450 -6.014 -5.926 1.00 63.15 H new ATOM 0 HA LYS A 51 2.696 -3.485 -5.777 1.00 61.22 H new ATOM 0 HB2 LYS A 51 3.210 -5.271 -7.424 1.00 64.24 H new ATOM 0 HB3 LYS A 51 1.618 -5.090 -8.134 1.00 64.24 H new ATOM 0 HG2 LYS A 51 2.168 -2.790 -8.848 1.00 33.25 H new ATOM 0 HG3 LYS A 51 3.738 -2.906 -8.078 1.00 33.25 H new ATOM 0 HD2 LYS A 51 3.970 -3.317 -10.480 1.00 43.04 H new ATOM 0 HD3 LYS A 51 4.361 -4.777 -9.593 1.00 43.04 H new ATOM 0 HE2 LYS A 51 2.981 -5.408 -11.473 1.00 63.31 H new ATOM 0 HE3 LYS A 51 2.029 -5.623 -10.018 1.00 63.31 H new ATOM 0 HZ1 LYS A 51 0.801 -4.531 -11.817 1.00 12.11 H new ATOM 0 HZ2 LYS A 51 0.903 -3.552 -10.433 1.00 12.11 H new ATOM 0 HZ3 LYS A 51 1.889 -3.228 -11.777 1.00 12.11 H new ATOM 826 N GLY A 52 -0.457 -3.473 -6.729 1.00 30.32 N ATOM 827 CA GLY A 52 -1.617 -2.605 -6.915 1.00 62.31 C ATOM 828 C GLY A 52 -1.853 -1.677 -5.729 1.00 74.35 C ATOM 829 O GLY A 52 -2.014 -0.469 -5.898 1.00 73.45 O ATOM 0 H GLY A 52 -0.669 -4.470 -6.745 1.00 30.32 H new ATOM 0 HA2 GLY A 52 -1.478 -2.008 -7.816 1.00 62.31 H new ATOM 0 HA3 GLY A 52 -2.504 -3.219 -7.073 1.00 62.31 H new ATOM 833 N VAL A 53 -1.857 -2.244 -4.523 1.00 65.44 N ATOM 834 CA VAL A 53 -2.019 -1.456 -3.293 1.00 41.45 C ATOM 835 C VAL A 53 -0.964 -0.340 -3.201 1.00 52.30 C ATOM 836 O VAL A 53 -1.281 0.809 -2.886 1.00 64.25 O ATOM 837 CB VAL A 53 -1.927 -2.361 -2.038 1.00 42.33 C ATOM 838 CG1 VAL A 53 -2.027 -1.537 -0.751 1.00 62.14 C ATOM 839 CG2 VAL A 53 -3.008 -3.441 -2.079 1.00 73.14 C ATOM 0 H VAL A 53 -1.750 -3.246 -4.367 1.00 65.44 H new ATOM 0 HA VAL A 53 -3.008 -1.000 -3.331 1.00 41.45 H new ATOM 0 HB VAL A 53 -0.952 -2.848 -2.043 1.00 42.33 H new ATOM 0 HG11 VAL A 53 -1.959 -2.200 0.112 1.00 62.14 H new ATOM 0 HG12 VAL A 53 -1.212 -0.814 -0.718 1.00 62.14 H new ATOM 0 HG13 VAL A 53 -2.981 -1.010 -0.730 1.00 62.14 H new ATOM 0 HG21 VAL A 53 -2.930 -4.068 -1.191 1.00 73.14 H new ATOM 0 HG22 VAL A 53 -3.991 -2.971 -2.106 1.00 73.14 H new ATOM 0 HG23 VAL A 53 -2.875 -4.055 -2.970 1.00 73.14 H new ATOM 849 N CYS A 54 0.289 -0.687 -3.496 1.00 54.24 N ATOM 850 CA CYS A 54 1.391 0.285 -3.480 1.00 14.53 C ATOM 851 C CYS A 54 1.173 1.395 -4.522 1.00 45.21 C ATOM 852 O CYS A 54 1.340 2.579 -4.231 1.00 54.52 O ATOM 853 CB CYS A 54 2.726 -0.420 -3.750 1.00 51.24 C ATOM 854 SG CYS A 54 3.127 -1.735 -2.573 1.00 72.12 S ATOM 0 H CYS A 54 0.570 -1.634 -3.750 1.00 54.24 H new ATOM 0 HA CYS A 54 1.415 0.742 -2.491 1.00 14.53 H new ATOM 0 HB2 CYS A 54 2.703 -0.842 -4.755 1.00 51.24 H new ATOM 0 HB3 CYS A 54 3.525 0.322 -3.734 1.00 51.24 H new ATOM 0 HG CYS A 54 2.383 -2.774 -2.812 1.00 72.12 H new ATOM 860 N THR A 55 0.793 0.994 -5.734 1.00 54.23 N ATOM 861 CA THR A 55 0.574 1.939 -6.841 1.00 14.02 C ATOM 862 C THR A 55 -0.576 2.912 -6.535 1.00 73.15 C ATOM 863 O THR A 55 -0.454 4.124 -6.744 1.00 2.32 O ATOM 864 CB THR A 55 0.255 1.196 -8.168 1.00 54.03 C ATOM 865 OG1 THR A 55 1.321 0.285 -8.499 1.00 73.42 O ATOM 866 CG2 THR A 55 0.057 2.176 -9.322 1.00 1.41 C ATOM 0 H THR A 55 0.628 0.018 -5.980 1.00 54.23 H new ATOM 0 HA THR A 55 1.501 2.501 -6.953 1.00 14.02 H new ATOM 0 HB THR A 55 -0.672 0.642 -8.018 1.00 54.03 H new ATOM 0 HG1 THR A 55 1.295 -0.484 -7.892 1.00 73.42 H new ATOM 0 HG21 THR A 55 -0.164 1.623 -10.235 1.00 1.41 H new ATOM 0 HG22 THR A 55 -0.772 2.845 -9.093 1.00 1.41 H new ATOM 0 HG23 THR A 55 0.966 2.760 -9.463 1.00 1.41 H new ATOM 874 N GLU A 56 -1.691 2.375 -6.038 1.00 1.54 N ATOM 875 CA GLU A 56 -2.880 3.181 -5.737 1.00 10.12 C ATOM 876 C GLU A 56 -2.661 4.114 -4.535 1.00 23.41 C ATOM 877 O GLU A 56 -3.180 5.230 -4.516 1.00 34.32 O ATOM 878 CB GLU A 56 -4.092 2.273 -5.481 1.00 41.20 C ATOM 879 CG GLU A 56 -4.538 1.479 -6.704 1.00 63.22 C ATOM 880 CD GLU A 56 -4.869 2.367 -7.896 1.00 2.12 C ATOM 881 OE1 GLU A 56 -5.623 3.349 -7.723 1.00 13.23 O ATOM 882 OE2 GLU A 56 -4.389 2.083 -9.013 1.00 2.33 O ATOM 0 H GLU A 56 -1.798 1.381 -5.834 1.00 1.54 H new ATOM 0 HA GLU A 56 -3.072 3.807 -6.609 1.00 10.12 H new ATOM 0 HB2 GLU A 56 -3.850 1.578 -4.677 1.00 41.20 H new ATOM 0 HB3 GLU A 56 -4.925 2.884 -5.133 1.00 41.20 H new ATOM 0 HG2 GLU A 56 -3.750 0.780 -6.985 1.00 63.22 H new ATOM 0 HG3 GLU A 56 -5.414 0.884 -6.446 1.00 63.22 H new ATOM 889 N ALA A 57 -1.898 3.655 -3.542 1.00 61.20 N ATOM 890 CA ALA A 57 -1.598 4.471 -2.355 1.00 25.42 C ATOM 891 C ALA A 57 -1.061 5.860 -2.744 1.00 65.12 C ATOM 892 O ALA A 57 -1.513 6.885 -2.225 1.00 55.41 O ATOM 893 CB ALA A 57 -0.601 3.746 -1.457 1.00 64.04 C ATOM 0 H ALA A 57 -1.476 2.727 -3.532 1.00 61.20 H new ATOM 0 HA ALA A 57 -2.528 4.620 -1.807 1.00 25.42 H new ATOM 0 HB1 ALA A 57 -0.387 4.359 -0.582 1.00 64.04 H new ATOM 0 HB2 ALA A 57 -1.024 2.794 -1.138 1.00 64.04 H new ATOM 0 HB3 ALA A 57 0.322 3.566 -2.009 1.00 64.04 H new ATOM 899 N GLY A 58 -0.105 5.886 -3.673 1.00 53.11 N ATOM 900 CA GLY A 58 0.417 7.152 -4.179 1.00 43.43 C ATOM 901 C GLY A 58 -0.644 7.985 -4.899 1.00 1.12 C ATOM 902 O GLY A 58 -0.641 9.216 -4.824 1.00 11.11 O ATOM 0 H GLY A 58 0.318 5.055 -4.085 1.00 53.11 H new ATOM 0 HA2 GLY A 58 0.824 7.729 -3.349 1.00 43.43 H new ATOM 0 HA3 GLY A 58 1.242 6.952 -4.863 1.00 43.43 H new ATOM 906 N MET A 59 -1.564 7.308 -5.587 1.00 73.22 N ATOM 907 CA MET A 59 -2.642 7.988 -6.316 1.00 13.33 C ATOM 908 C MET A 59 -3.621 8.678 -5.354 1.00 22.13 C ATOM 909 O MET A 59 -4.076 9.794 -5.618 1.00 63.21 O ATOM 910 CB MET A 59 -3.396 6.992 -7.212 1.00 10.14 C ATOM 911 CG MET A 59 -2.539 6.303 -8.275 1.00 75.31 C ATOM 912 SD MET A 59 -2.389 7.247 -9.814 1.00 52.14 S ATOM 913 CE MET A 59 -1.408 8.658 -9.311 1.00 4.11 C ATOM 0 H MET A 59 -1.587 6.291 -5.656 1.00 73.22 H new ATOM 0 HA MET A 59 -2.186 8.755 -6.942 1.00 13.33 H new ATOM 0 HB2 MET A 59 -3.848 6.228 -6.580 1.00 10.14 H new ATOM 0 HB3 MET A 59 -4.211 7.518 -7.709 1.00 10.14 H new ATOM 0 HG2 MET A 59 -1.543 6.127 -7.868 1.00 75.31 H new ATOM 0 HG3 MET A 59 -2.969 5.327 -8.499 1.00 75.31 H new ATOM 0 HE1 MET A 59 -0.735 8.940 -10.120 1.00 4.11 H new ATOM 0 HE2 MET A 59 -2.067 9.495 -9.078 1.00 4.11 H new ATOM 0 HE3 MET A 59 -0.824 8.399 -8.428 1.00 4.11 H new ATOM 923 N TYR A 60 -3.938 8.019 -4.238 1.00 20.22 N ATOM 924 CA TYR A 60 -4.818 8.607 -3.218 1.00 40.04 C ATOM 925 C TYR A 60 -4.230 9.914 -2.659 1.00 30.00 C ATOM 926 O TYR A 60 -4.966 10.841 -2.315 1.00 55.44 O ATOM 927 CB TYR A 60 -5.074 7.612 -2.080 1.00 45.23 C ATOM 928 CG TYR A 60 -5.958 6.439 -2.472 1.00 22.55 C ATOM 929 CD1 TYR A 60 -7.286 6.639 -2.840 1.00 31.23 C ATOM 930 CD2 TYR A 60 -5.469 5.137 -2.479 1.00 12.50 C ATOM 931 CE1 TYR A 60 -8.096 5.578 -3.198 1.00 21.32 C ATOM 932 CE2 TYR A 60 -6.276 4.074 -2.838 1.00 32.25 C ATOM 933 CZ TYR A 60 -7.587 4.299 -3.196 1.00 45.54 C ATOM 934 OH TYR A 60 -8.392 3.240 -3.555 1.00 0.41 O ATOM 0 H TYR A 60 -3.602 7.082 -4.015 1.00 20.22 H new ATOM 0 HA TYR A 60 -5.768 8.840 -3.699 1.00 40.04 H new ATOM 0 HB2 TYR A 60 -4.118 7.230 -1.723 1.00 45.23 H new ATOM 0 HB3 TYR A 60 -5.537 8.140 -1.247 1.00 45.23 H new ATOM 0 HD1 TYR A 60 -7.690 7.641 -2.846 1.00 31.23 H new ATOM 0 HD2 TYR A 60 -4.442 4.954 -2.199 1.00 12.50 H new ATOM 0 HE1 TYR A 60 -9.124 5.752 -3.478 1.00 21.32 H new ATOM 0 HE2 TYR A 60 -5.880 3.069 -2.838 1.00 32.25 H new ATOM 0 HH TYR A 60 -8.526 2.654 -2.781 1.00 0.41 H new ATOM 944 N ALA A 61 -2.905 9.987 -2.583 1.00 40.22 N ATOM 945 CA ALA A 61 -2.231 11.211 -2.146 1.00 15.21 C ATOM 946 C ALA A 61 -2.315 12.313 -3.218 1.00 20.03 C ATOM 947 O ALA A 61 -2.763 13.430 -2.947 1.00 44.45 O ATOM 948 CB ALA A 61 -0.777 10.915 -1.798 1.00 41.12 C ATOM 0 H ALA A 61 -2.276 9.218 -2.817 1.00 40.22 H new ATOM 0 HA ALA A 61 -2.741 11.577 -1.255 1.00 15.21 H new ATOM 0 HB1 ALA A 61 -0.286 11.833 -1.474 1.00 41.12 H new ATOM 0 HB2 ALA A 61 -0.738 10.180 -0.994 1.00 41.12 H new ATOM 0 HB3 ALA A 61 -0.266 10.520 -2.676 1.00 41.12 H new ATOM 954 N LEU A 62 -1.899 11.983 -4.440 1.00 2.12 N ATOM 955 CA LEU A 62 -1.842 12.960 -5.538 1.00 74.13 C ATOM 956 C LEU A 62 -3.230 13.525 -5.906 1.00 50.20 C ATOM 957 O LEU A 62 -3.359 14.711 -6.209 1.00 64.25 O ATOM 958 CB LEU A 62 -1.178 12.331 -6.771 1.00 13.35 C ATOM 959 CG LEU A 62 0.263 11.834 -6.555 1.00 41.15 C ATOM 960 CD1 LEU A 62 0.838 11.260 -7.848 1.00 51.32 C ATOM 961 CD2 LEU A 62 1.151 12.956 -6.017 1.00 32.33 C ATOM 0 H LEU A 62 -1.595 11.045 -4.700 1.00 2.12 H new ATOM 0 HA LEU A 62 -1.242 13.800 -5.188 1.00 74.13 H new ATOM 0 HB2 LEU A 62 -1.789 11.492 -7.105 1.00 13.35 H new ATOM 0 HB3 LEU A 62 -1.176 13.065 -7.577 1.00 13.35 H new ATOM 0 HG LEU A 62 0.238 11.037 -5.812 1.00 41.15 H new ATOM 0 HD11 LEU A 62 1.857 10.915 -7.672 1.00 51.32 H new ATOM 0 HD12 LEU A 62 0.224 10.423 -8.179 1.00 51.32 H new ATOM 0 HD13 LEU A 62 0.844 12.032 -8.618 1.00 51.32 H new ATOM 0 HD21 LEU A 62 2.164 12.581 -5.872 1.00 32.33 H new ATOM 0 HD22 LEU A 62 1.168 13.780 -6.730 1.00 32.33 H new ATOM 0 HD23 LEU A 62 0.755 13.308 -5.064 1.00 32.33 H new ATOM 973 N ARG A 63 -4.269 12.685 -5.867 1.00 31.35 N ATOM 974 CA ARG A 63 -5.636 13.133 -6.193 1.00 44.32 C ATOM 975 C ARG A 63 -6.122 14.223 -5.218 1.00 10.20 C ATOM 976 O ARG A 63 -6.998 15.024 -5.548 1.00 71.34 O ATOM 977 CB ARG A 63 -6.614 11.948 -6.180 1.00 71.12 C ATOM 978 CG ARG A 63 -6.788 11.308 -4.808 1.00 75.14 C ATOM 979 CD ARG A 63 -7.742 10.118 -4.839 1.00 20.13 C ATOM 980 NE ARG A 63 -9.108 10.505 -5.190 1.00 12.24 N ATOM 981 CZ ARG A 63 -10.131 10.396 -4.383 1.00 14.24 C ATOM 982 NH1 ARG A 63 -9.968 9.975 -3.167 1.00 62.30 N ATOM 983 NH2 ARG A 63 -11.315 10.716 -4.790 1.00 62.43 N ATOM 0 H ARG A 63 -4.196 11.699 -5.616 1.00 31.35 H new ATOM 0 HA ARG A 63 -5.607 13.560 -7.195 1.00 44.32 H new ATOM 0 HB2 ARG A 63 -7.586 12.287 -6.538 1.00 71.12 H new ATOM 0 HB3 ARG A 63 -6.262 11.191 -6.881 1.00 71.12 H new ATOM 0 HG2 ARG A 63 -5.817 10.982 -4.436 1.00 75.14 H new ATOM 0 HG3 ARG A 63 -7.164 12.053 -4.107 1.00 75.14 H new ATOM 0 HD2 ARG A 63 -7.379 9.384 -5.559 1.00 20.13 H new ATOM 0 HD3 ARG A 63 -7.745 9.633 -3.863 1.00 20.13 H new ATOM 0 HE ARG A 63 -9.273 10.884 -6.123 1.00 12.24 H new ATOM 0 HH11 ARG A 63 -9.037 9.726 -2.834 1.00 62.30 H new ATOM 0 HH12 ARG A 63 -10.771 9.893 -2.544 1.00 62.30 H new ATOM 0 HH21 ARG A 63 -11.453 11.054 -5.742 1.00 62.43 H new ATOM 0 HH22 ARG A 63 -12.112 10.630 -4.159 1.00 62.43 H new ATOM 997 N GLU A 64 -5.556 14.236 -4.011 1.00 25.34 N ATOM 998 CA GLU A 64 -5.867 15.266 -3.008 1.00 31.21 C ATOM 999 C GLU A 64 -4.723 16.288 -2.892 1.00 43.14 C ATOM 1000 O GLU A 64 -4.670 17.082 -1.951 1.00 53.01 O ATOM 1001 CB GLU A 64 -6.148 14.604 -1.653 1.00 42.21 C ATOM 1002 CG GLU A 64 -7.421 13.761 -1.647 1.00 33.54 C ATOM 1003 CD GLU A 64 -7.661 13.035 -0.332 1.00 63.11 C ATOM 1004 OE1 GLU A 64 -7.443 13.640 0.742 1.00 60.33 O ATOM 1005 OE2 GLU A 64 -8.061 11.852 -0.362 1.00 11.10 O ATOM 0 H GLU A 64 -4.876 13.543 -3.699 1.00 25.34 H new ATOM 0 HA GLU A 64 -6.758 15.806 -3.328 1.00 31.21 H new ATOM 0 HB2 GLU A 64 -5.301 13.973 -1.382 1.00 42.21 H new ATOM 0 HB3 GLU A 64 -6.228 15.377 -0.888 1.00 42.21 H new ATOM 0 HG2 GLU A 64 -8.275 14.405 -1.859 1.00 33.54 H new ATOM 0 HG3 GLU A 64 -7.366 13.029 -2.453 1.00 33.54 H new ATOM 1012 N ARG A 65 -3.820 16.260 -3.875 1.00 1.33 N ATOM 1013 CA ARG A 65 -2.681 17.188 -3.957 1.00 72.34 C ATOM 1014 C ARG A 65 -1.770 17.105 -2.719 1.00 42.54 C ATOM 1015 O ARG A 65 -1.096 18.078 -2.366 1.00 14.40 O ATOM 1016 CB ARG A 65 -3.173 18.634 -4.156 1.00 60.40 C ATOM 1017 CG ARG A 65 -4.199 18.803 -5.279 1.00 62.22 C ATOM 1018 CD ARG A 65 -3.729 18.204 -6.605 1.00 21.44 C ATOM 1019 NE ARG A 65 -2.468 18.776 -7.072 1.00 23.32 N ATOM 1020 CZ ARG A 65 -2.375 19.813 -7.863 1.00 62.42 C ATOM 1021 NH1 ARG A 65 -3.435 20.450 -8.253 1.00 51.11 N ATOM 1022 NH2 ARG A 65 -1.215 20.214 -8.260 1.00 62.01 N ATOM 0 H ARG A 65 -3.856 15.590 -4.643 1.00 1.33 H new ATOM 0 HA ARG A 65 -2.088 16.888 -4.821 1.00 72.34 H new ATOM 0 HB2 ARG A 65 -3.612 18.987 -3.223 1.00 60.40 H new ATOM 0 HB3 ARG A 65 -2.314 19.272 -4.366 1.00 60.40 H new ATOM 0 HG2 ARG A 65 -5.136 18.330 -4.984 1.00 62.22 H new ATOM 0 HG3 ARG A 65 -4.407 19.864 -5.418 1.00 62.22 H new ATOM 0 HD2 ARG A 65 -3.613 17.126 -6.490 1.00 21.44 H new ATOM 0 HD3 ARG A 65 -4.497 18.363 -7.362 1.00 21.44 H new ATOM 0 HE ARG A 65 -1.602 18.337 -6.760 1.00 23.32 H new ATOM 0 HH11 ARG A 65 -4.357 20.144 -7.943 1.00 51.11 H new ATOM 0 HH12 ARG A 65 -3.347 21.257 -8.870 1.00 51.11 H new ATOM 0 HH21 ARG A 65 -0.374 19.722 -7.957 1.00 62.01 H new ATOM 0 HH22 ARG A 65 -1.139 21.023 -8.877 1.00 62.01 H new ATOM 1036 N ARG A 66 -1.732 15.938 -2.077 1.00 75.11 N ATOM 1037 CA ARG A 66 -0.881 15.731 -0.898 1.00 11.10 C ATOM 1038 C ARG A 66 0.599 15.575 -1.295 1.00 45.32 C ATOM 1039 O ARG A 66 0.929 15.367 -2.464 1.00 4.03 O ATOM 1040 CB ARG A 66 -1.299 14.473 -0.123 1.00 31.31 C ATOM 1041 CG ARG A 66 -2.776 14.386 0.259 1.00 40.02 C ATOM 1042 CD ARG A 66 -3.030 13.125 1.079 1.00 14.51 C ATOM 1043 NE ARG A 66 -4.447 12.801 1.238 1.00 15.24 N ATOM 1044 CZ ARG A 66 -4.880 11.591 1.490 1.00 4.10 C ATOM 1045 NH1 ARG A 66 -4.050 10.604 1.552 1.00 3.14 N ATOM 1046 NH2 ARG A 66 -6.138 11.366 1.655 1.00 35.44 N ATOM 0 H ARG A 66 -2.278 15.121 -2.350 1.00 75.11 H new ATOM 0 HA ARG A 66 -1.005 16.613 -0.269 1.00 11.10 H new ATOM 0 HB2 ARG A 66 -1.047 13.599 -0.723 1.00 31.31 H new ATOM 0 HB3 ARG A 66 -0.704 14.416 0.788 1.00 31.31 H new ATOM 0 HG2 ARG A 66 -3.064 15.267 0.833 1.00 40.02 H new ATOM 0 HG3 ARG A 66 -3.392 14.375 -0.640 1.00 40.02 H new ATOM 0 HD2 ARG A 66 -2.526 12.285 0.602 1.00 14.51 H new ATOM 0 HD3 ARG A 66 -2.582 13.247 2.065 1.00 14.51 H new ATOM 0 HE ARG A 66 -5.130 13.553 1.148 1.00 15.24 H new ATOM 0 HH11 ARG A 66 -3.054 10.765 1.405 1.00 3.14 H new ATOM 0 HH12 ARG A 66 -4.391 9.663 1.748 1.00 3.14 H new ATOM 0 HH21 ARG A 66 -6.806 12.134 1.590 1.00 35.44 H new ATOM 0 HH22 ARG A 66 -6.466 10.420 1.851 1.00 35.44 H new ATOM 1060 N VAL A 67 1.483 15.664 -0.307 1.00 0.41 N ATOM 1061 CA VAL A 67 2.912 15.400 -0.513 1.00 43.43 C ATOM 1062 C VAL A 67 3.297 14.017 0.044 1.00 72.43 C ATOM 1063 O VAL A 67 4.253 13.390 -0.416 1.00 3.00 O ATOM 1064 CB VAL A 67 3.788 16.487 0.164 1.00 22.42 C ATOM 1065 CG1 VAL A 67 5.268 16.285 -0.164 1.00 65.34 C ATOM 1066 CG2 VAL A 67 3.321 17.885 -0.244 1.00 51.44 C ATOM 0 H VAL A 67 1.239 15.918 0.650 1.00 0.41 H new ATOM 0 HA VAL A 67 3.094 15.420 -1.587 1.00 43.43 H new ATOM 0 HB VAL A 67 3.673 16.391 1.244 1.00 22.42 H new ATOM 0 HG11 VAL A 67 5.858 17.061 0.324 1.00 65.34 H new ATOM 0 HG12 VAL A 67 5.590 15.307 0.193 1.00 65.34 H new ATOM 0 HG13 VAL A 67 5.413 16.343 -1.243 1.00 65.34 H new ATOM 0 HG21 VAL A 67 3.947 18.634 0.241 1.00 51.44 H new ATOM 0 HG22 VAL A 67 3.398 17.993 -1.326 1.00 51.44 H new ATOM 0 HG23 VAL A 67 2.284 18.026 0.062 1.00 51.44 H new ATOM 1076 N HIS A 68 2.541 13.547 1.040 1.00 33.25 N ATOM 1077 CA HIS A 68 2.801 12.248 1.681 1.00 21.41 C ATOM 1078 C HIS A 68 1.591 11.301 1.595 1.00 32.15 C ATOM 1079 O HIS A 68 0.455 11.731 1.387 1.00 21.14 O ATOM 1080 CB HIS A 68 3.187 12.449 3.155 1.00 53.25 C ATOM 1081 CG HIS A 68 4.529 13.089 3.347 1.00 44.03 C ATOM 1082 ND1 HIS A 68 4.741 14.446 3.233 1.00 33.21 N ATOM 1083 CD2 HIS A 68 5.734 12.551 3.654 1.00 23.15 C ATOM 1084 CE1 HIS A 68 6.011 14.713 3.461 1.00 73.45 C ATOM 1085 NE2 HIS A 68 6.633 13.584 3.717 1.00 64.12 N ATOM 0 H HIS A 68 1.739 14.047 1.424 1.00 33.25 H new ATOM 0 HA HIS A 68 3.626 11.786 1.139 1.00 21.41 H new ATOM 0 HB2 HIS A 68 2.429 13.065 3.639 1.00 53.25 H new ATOM 0 HB3 HIS A 68 3.181 11.482 3.658 1.00 53.25 H new ATOM 0 HD2 HIS A 68 5.946 11.505 3.818 1.00 23.15 H new ATOM 0 HE1 HIS A 68 6.464 15.693 3.441 1.00 73.45 H new ATOM 0 HE2 HIS A 68 7.626 13.491 3.929 1.00 64.12 H new ATOM 1094 N VAL A 69 1.855 10.004 1.764 1.00 51.30 N ATOM 1095 CA VAL A 69 0.810 8.975 1.765 1.00 1.14 C ATOM 1096 C VAL A 69 0.575 8.434 3.187 1.00 24.31 C ATOM 1097 O VAL A 69 1.527 8.218 3.943 1.00 14.44 O ATOM 1098 CB VAL A 69 1.190 7.794 0.834 1.00 44.52 C ATOM 1099 CG1 VAL A 69 0.047 6.784 0.742 1.00 42.54 C ATOM 1100 CG2 VAL A 69 1.585 8.298 -0.554 1.00 3.11 C ATOM 0 H VAL A 69 2.796 9.637 1.904 1.00 51.30 H new ATOM 0 HA VAL A 69 -0.104 9.442 1.398 1.00 1.14 H new ATOM 0 HB VAL A 69 2.053 7.288 1.267 1.00 44.52 H new ATOM 0 HG11 VAL A 69 0.337 5.965 0.084 1.00 42.54 H new ATOM 0 HG12 VAL A 69 -0.172 6.391 1.735 1.00 42.54 H new ATOM 0 HG13 VAL A 69 -0.840 7.274 0.342 1.00 42.54 H new ATOM 0 HG21 VAL A 69 1.847 7.451 -1.188 1.00 3.11 H new ATOM 0 HG22 VAL A 69 0.748 8.837 -0.997 1.00 3.11 H new ATOM 0 HG23 VAL A 69 2.442 8.966 -0.468 1.00 3.11 H new ATOM 1110 N THR A 70 -0.690 8.218 3.545 1.00 15.03 N ATOM 1111 CA THR A 70 -1.047 7.705 4.877 1.00 61.44 C ATOM 1112 C THR A 70 -1.384 6.209 4.829 1.00 44.14 C ATOM 1113 O THR A 70 -1.651 5.654 3.762 1.00 52.10 O ATOM 1114 CB THR A 70 -2.258 8.459 5.486 1.00 35.40 C ATOM 1115 OG1 THR A 70 -3.456 8.155 4.755 1.00 24.14 O ATOM 1116 CG2 THR A 70 -2.026 9.968 5.473 1.00 10.41 C ATOM 0 H THR A 70 -1.489 8.389 2.934 1.00 15.03 H new ATOM 0 HA THR A 70 -0.171 7.867 5.506 1.00 61.44 H new ATOM 0 HB THR A 70 -2.370 8.129 6.519 1.00 35.40 H new ATOM 0 HG1 THR A 70 -3.270 8.191 3.793 1.00 24.14 H new ATOM 0 HG21 THR A 70 -2.890 10.473 5.905 1.00 10.41 H new ATOM 0 HG22 THR A 70 -1.137 10.205 6.058 1.00 10.41 H new ATOM 0 HG23 THR A 70 -1.885 10.306 4.446 1.00 10.41 H new ATOM 1124 N GLN A 71 -1.389 5.564 5.992 1.00 0.53 N ATOM 1125 CA GLN A 71 -1.704 4.134 6.084 1.00 43.21 C ATOM 1126 C GLN A 71 -3.149 3.859 5.630 1.00 72.31 C ATOM 1127 O GLN A 71 -3.455 2.794 5.081 1.00 72.42 O ATOM 1128 CB GLN A 71 -1.489 3.645 7.526 1.00 60.12 C ATOM 1129 CG GLN A 71 -1.639 2.139 7.710 1.00 75.41 C ATOM 1130 CD GLN A 71 -1.361 1.694 9.139 1.00 74.41 C ATOM 1131 OE1 GLN A 71 -0.581 2.311 9.855 1.00 50.13 O ATOM 1132 NE2 GLN A 71 -1.987 0.617 9.560 1.00 60.40 N ATOM 0 H GLN A 71 -1.179 6.006 6.887 1.00 0.53 H new ATOM 0 HA GLN A 71 -1.035 3.587 5.420 1.00 43.21 H new ATOM 0 HB2 GLN A 71 -0.492 3.941 7.852 1.00 60.12 H new ATOM 0 HB3 GLN A 71 -2.201 4.151 8.178 1.00 60.12 H new ATOM 0 HG2 GLN A 71 -2.650 1.841 7.431 1.00 75.41 H new ATOM 0 HG3 GLN A 71 -0.957 1.624 7.034 1.00 75.41 H new ATOM 0 HE21 GLN A 71 -2.630 0.126 8.939 1.00 60.40 H new ATOM 0 HE22 GLN A 71 -1.829 0.273 10.507 1.00 60.40 H new ATOM 1141 N GLU A 72 -4.020 4.845 5.848 1.00 0.23 N ATOM 1142 CA GLU A 72 -5.426 4.754 5.441 1.00 1.34 C ATOM 1143 C GLU A 72 -5.561 4.558 3.918 1.00 71.30 C ATOM 1144 O GLU A 72 -6.431 3.820 3.454 1.00 60.43 O ATOM 1145 CB GLU A 72 -6.183 6.017 5.877 1.00 5.14 C ATOM 1146 CG GLU A 72 -6.138 6.274 7.384 1.00 24.43 C ATOM 1147 CD GLU A 72 -6.954 7.490 7.805 1.00 61.41 C ATOM 1148 OE1 GLU A 72 -8.172 7.344 8.042 1.00 25.11 O ATOM 1149 OE2 GLU A 72 -6.380 8.596 7.907 1.00 14.44 O ATOM 0 H GLU A 72 -3.776 5.722 6.307 1.00 0.23 H new ATOM 0 HA GLU A 72 -5.861 3.883 5.932 1.00 1.34 H new ATOM 0 HB2 GLU A 72 -5.763 6.879 5.358 1.00 5.14 H new ATOM 0 HB3 GLU A 72 -7.223 5.932 5.563 1.00 5.14 H new ATOM 0 HG2 GLU A 72 -6.511 5.394 7.908 1.00 24.43 H new ATOM 0 HG3 GLU A 72 -5.102 6.414 7.692 1.00 24.43 H new ATOM 1156 N ASP A 73 -4.684 5.206 3.146 1.00 31.44 N ATOM 1157 CA ASP A 73 -4.721 5.099 1.681 1.00 64.44 C ATOM 1158 C ASP A 73 -4.400 3.670 1.219 1.00 11.51 C ATOM 1159 O ASP A 73 -5.021 3.151 0.288 1.00 74.21 O ATOM 1160 CB ASP A 73 -3.737 6.089 1.046 1.00 32.51 C ATOM 1161 CG ASP A 73 -3.993 7.517 1.485 1.00 42.32 C ATOM 1162 OD1 ASP A 73 -5.141 7.995 1.358 1.00 54.44 O ATOM 1163 OD2 ASP A 73 -3.053 8.175 1.964 1.00 5.13 O ATOM 0 H ASP A 73 -3.943 5.807 3.506 1.00 31.44 H new ATOM 0 HA ASP A 73 -5.732 5.344 1.355 1.00 64.44 H new ATOM 0 HB2 ASP A 73 -2.718 5.807 1.312 1.00 32.51 H new ATOM 0 HB3 ASP A 73 -3.812 6.026 -0.040 1.00 32.51 H new ATOM 1168 N PHE A 74 -3.433 3.034 1.883 1.00 41.22 N ATOM 1169 CA PHE A 74 -3.059 1.650 1.574 1.00 24.11 C ATOM 1170 C PHE A 74 -4.241 0.685 1.768 1.00 72.31 C ATOM 1171 O PHE A 74 -4.561 -0.100 0.876 1.00 64.21 O ATOM 1172 CB PHE A 74 -1.871 1.204 2.439 1.00 50.22 C ATOM 1173 CG PHE A 74 -0.554 1.824 2.039 1.00 20.01 C ATOM 1174 CD1 PHE A 74 -0.192 3.084 2.495 1.00 52.42 C ATOM 1175 CD2 PHE A 74 0.326 1.141 1.209 1.00 45.34 C ATOM 1176 CE1 PHE A 74 1.018 3.647 2.128 1.00 74.41 C ATOM 1177 CE2 PHE A 74 1.534 1.702 0.843 1.00 31.21 C ATOM 1178 CZ PHE A 74 1.880 2.955 1.302 1.00 40.23 C ATOM 0 H PHE A 74 -2.893 3.455 2.639 1.00 41.22 H new ATOM 0 HA PHE A 74 -2.768 1.620 0.524 1.00 24.11 H new ATOM 0 HB2 PHE A 74 -2.078 1.455 3.479 1.00 50.22 H new ATOM 0 HB3 PHE A 74 -1.782 0.119 2.384 1.00 50.22 H new ATOM 0 HD1 PHE A 74 -0.861 3.631 3.143 1.00 52.42 H new ATOM 0 HD2 PHE A 74 0.062 0.159 0.845 1.00 45.34 H new ATOM 0 HE1 PHE A 74 1.288 4.629 2.488 1.00 74.41 H new ATOM 0 HE2 PHE A 74 2.208 1.159 0.197 1.00 31.21 H new ATOM 0 HZ PHE A 74 2.824 3.394 1.016 1.00 40.23 H new ATOM 1188 N GLU A 75 -4.893 0.745 2.928 1.00 73.41 N ATOM 1189 CA GLU A 75 -6.039 -0.135 3.194 1.00 33.44 C ATOM 1190 C GLU A 75 -7.253 0.226 2.318 1.00 0.43 C ATOM 1191 O GLU A 75 -8.033 -0.650 1.940 1.00 61.12 O ATOM 1192 CB GLU A 75 -6.404 -0.136 4.686 1.00 70.44 C ATOM 1193 CG GLU A 75 -6.651 1.239 5.291 1.00 12.34 C ATOM 1194 CD GLU A 75 -6.898 1.165 6.789 1.00 11.41 C ATOM 1195 OE1 GLU A 75 -8.032 0.843 7.197 1.00 3.04 O ATOM 1196 OE2 GLU A 75 -5.949 1.391 7.571 1.00 3.52 O ATOM 0 H GLU A 75 -4.656 1.381 3.690 1.00 73.41 H new ATOM 0 HA GLU A 75 -5.740 -1.148 2.925 1.00 33.44 H new ATOM 0 HB2 GLU A 75 -7.299 -0.743 4.825 1.00 70.44 H new ATOM 0 HB3 GLU A 75 -5.601 -0.621 5.240 1.00 70.44 H new ATOM 0 HG2 GLU A 75 -5.792 1.881 5.096 1.00 12.34 H new ATOM 0 HG3 GLU A 75 -7.510 1.701 4.804 1.00 12.34 H new ATOM 1203 N MET A 76 -7.408 1.509 1.987 1.00 25.45 N ATOM 1204 CA MET A 76 -8.415 1.933 1.002 1.00 65.03 C ATOM 1205 C MET A 76 -8.104 1.343 -0.384 1.00 2.20 C ATOM 1206 O MET A 76 -9.008 1.019 -1.155 1.00 33.01 O ATOM 1207 CB MET A 76 -8.487 3.465 0.922 1.00 71.23 C ATOM 1208 CG MET A 76 -9.219 4.105 2.094 1.00 13.41 C ATOM 1209 SD MET A 76 -10.947 3.590 2.194 1.00 53.14 S ATOM 1210 CE MET A 76 -11.573 4.151 0.607 1.00 43.40 C ATOM 0 H MET A 76 -6.856 2.271 2.381 1.00 25.45 H new ATOM 0 HA MET A 76 -9.384 1.557 1.329 1.00 65.03 H new ATOM 0 HB2 MET A 76 -7.474 3.866 0.875 1.00 71.23 H new ATOM 0 HB3 MET A 76 -8.985 3.749 -0.005 1.00 71.23 H new ATOM 0 HG2 MET A 76 -8.711 3.843 3.022 1.00 13.41 H new ATOM 0 HG3 MET A 76 -9.171 5.190 1.999 1.00 13.41 H new ATOM 0 HE1 MET A 76 -12.660 4.217 0.647 1.00 43.40 H new ATOM 0 HE2 MET A 76 -11.158 5.133 0.379 1.00 43.40 H new ATOM 0 HE3 MET A 76 -11.281 3.444 -0.170 1.00 43.40 H new ATOM 1220 N ALA A 77 -6.813 1.215 -0.696 1.00 70.11 N ATOM 1221 CA ALA A 77 -6.379 0.543 -1.922 1.00 51.10 C ATOM 1222 C ALA A 77 -6.738 -0.948 -1.885 1.00 44.21 C ATOM 1223 O ALA A 77 -7.306 -1.480 -2.837 1.00 24.43 O ATOM 1224 CB ALA A 77 -4.879 0.730 -2.132 1.00 14.02 C ATOM 0 H ALA A 77 -6.051 1.567 -0.117 1.00 70.11 H new ATOM 0 HA ALA A 77 -6.904 0.996 -2.763 1.00 51.10 H new ATOM 0 HB1 ALA A 77 -4.574 0.224 -3.048 1.00 14.02 H new ATOM 0 HB2 ALA A 77 -4.653 1.793 -2.212 1.00 14.02 H new ATOM 0 HB3 ALA A 77 -4.338 0.307 -1.286 1.00 14.02 H new ATOM 1230 N VAL A 78 -6.424 -1.609 -0.767 1.00 21.01 N ATOM 1231 CA VAL A 78 -6.774 -3.026 -0.568 1.00 62.22 C ATOM 1232 C VAL A 78 -8.277 -3.263 -0.787 1.00 41.22 C ATOM 1233 O VAL A 78 -8.679 -4.209 -1.469 1.00 13.13 O ATOM 1234 CB VAL A 78 -6.391 -3.512 0.856 1.00 51.10 C ATOM 1235 CG1 VAL A 78 -6.799 -4.971 1.070 1.00 53.45 C ATOM 1236 CG2 VAL A 78 -4.896 -3.322 1.108 1.00 71.12 C ATOM 0 H VAL A 78 -5.927 -1.188 0.018 1.00 21.01 H new ATOM 0 HA VAL A 78 -6.206 -3.595 -1.304 1.00 62.22 H new ATOM 0 HB VAL A 78 -6.938 -2.904 1.577 1.00 51.10 H new ATOM 0 HG11 VAL A 78 -6.518 -5.284 2.076 1.00 53.45 H new ATOM 0 HG12 VAL A 78 -7.878 -5.069 0.948 1.00 53.45 H new ATOM 0 HG13 VAL A 78 -6.292 -5.601 0.339 1.00 53.45 H new ATOM 0 HG21 VAL A 78 -4.649 -3.669 2.111 1.00 71.12 H new ATOM 0 HG22 VAL A 78 -4.328 -3.896 0.376 1.00 71.12 H new ATOM 0 HG23 VAL A 78 -4.643 -2.266 1.017 1.00 71.12 H new ATOM 1246 N ALA A 79 -9.099 -2.384 -0.214 1.00 33.52 N ATOM 1247 CA ALA A 79 -10.553 -2.447 -0.391 1.00 62.45 C ATOM 1248 C ALA A 79 -10.952 -2.359 -1.875 1.00 62.15 C ATOM 1249 O ALA A 79 -11.937 -2.961 -2.304 1.00 54.42 O ATOM 1250 CB ALA A 79 -11.222 -1.331 0.405 1.00 4.14 C ATOM 0 H ALA A 79 -8.783 -1.617 0.379 1.00 33.52 H new ATOM 0 HA ALA A 79 -10.894 -3.413 -0.018 1.00 62.45 H new ATOM 0 HB1 ALA A 79 -12.302 -1.384 0.269 1.00 4.14 H new ATOM 0 HB2 ALA A 79 -10.984 -1.445 1.462 1.00 4.14 H new ATOM 0 HB3 ALA A 79 -10.859 -0.365 0.053 1.00 4.14 H new ATOM 1256 N LYS A 80 -10.176 -1.609 -2.656 1.00 21.03 N ATOM 1257 CA LYS A 80 -10.432 -1.459 -4.092 1.00 31.23 C ATOM 1258 C LYS A 80 -9.807 -2.613 -4.905 1.00 62.11 C ATOM 1259 O LYS A 80 -10.250 -2.916 -6.014 1.00 34.00 O ATOM 1260 CB LYS A 80 -9.905 -0.101 -4.579 1.00 44.23 C ATOM 1261 CG LYS A 80 -10.227 0.197 -6.042 1.00 5.13 C ATOM 1262 CD LYS A 80 -9.887 1.636 -6.428 1.00 24.24 C ATOM 1263 CE LYS A 80 -8.401 1.938 -6.292 1.00 12.14 C ATOM 1264 NZ LYS A 80 -8.096 3.354 -6.623 1.00 65.21 N ATOM 0 H LYS A 80 -9.362 -1.094 -2.320 1.00 21.03 H new ATOM 0 HA LYS A 80 -11.510 -1.499 -4.250 1.00 31.23 H new ATOM 0 HB2 LYS A 80 -10.328 0.687 -3.956 1.00 44.23 H new ATOM 0 HB3 LYS A 80 -8.824 -0.071 -4.441 1.00 44.23 H new ATOM 0 HG2 LYS A 80 -9.672 -0.489 -6.681 1.00 5.13 H new ATOM 0 HG3 LYS A 80 -11.286 0.015 -6.223 1.00 5.13 H new ATOM 0 HD2 LYS A 80 -10.199 1.817 -7.457 1.00 24.24 H new ATOM 0 HD3 LYS A 80 -10.453 2.322 -5.798 1.00 24.24 H new ATOM 0 HE2 LYS A 80 -8.078 1.725 -5.273 1.00 12.14 H new ATOM 0 HE3 LYS A 80 -7.834 1.280 -6.951 1.00 12.14 H new ATOM 0 HZ1 LYS A 80 -7.288 3.391 -7.277 1.00 65.21 H new ATOM 0 HZ2 LYS A 80 -8.925 3.792 -7.072 1.00 65.21 H new ATOM 0 HZ3 LYS A 80 -7.861 3.871 -5.752 1.00 65.21 H new ATOM 1278 N VAL A 81 -8.777 -3.252 -4.349 1.00 1.32 N ATOM 1279 CA VAL A 81 -8.126 -4.397 -5.002 1.00 40.12 C ATOM 1280 C VAL A 81 -8.953 -5.689 -4.848 1.00 45.44 C ATOM 1281 O VAL A 81 -9.311 -6.329 -5.839 1.00 2.54 O ATOM 1282 CB VAL A 81 -6.694 -4.624 -4.447 1.00 2.12 C ATOM 1283 CG1 VAL A 81 -6.075 -5.904 -5.014 1.00 15.42 C ATOM 1284 CG2 VAL A 81 -5.801 -3.420 -4.748 1.00 45.32 C ATOM 0 H VAL A 81 -8.373 -2.999 -3.447 1.00 1.32 H new ATOM 0 HA VAL A 81 -8.059 -4.155 -6.063 1.00 40.12 H new ATOM 0 HB VAL A 81 -6.771 -4.738 -3.366 1.00 2.12 H new ATOM 0 HG11 VAL A 81 -5.073 -6.035 -4.606 1.00 15.42 H new ATOM 0 HG12 VAL A 81 -6.693 -6.759 -4.740 1.00 15.42 H new ATOM 0 HG13 VAL A 81 -6.018 -5.831 -6.100 1.00 15.42 H new ATOM 0 HG21 VAL A 81 -4.802 -3.600 -4.351 1.00 45.32 H new ATOM 0 HG22 VAL A 81 -5.741 -3.272 -5.826 1.00 45.32 H new ATOM 0 HG23 VAL A 81 -6.222 -2.529 -4.282 1.00 45.32 H new ATOM 1294 N MET A 82 -9.255 -6.069 -3.603 1.00 65.05 N ATOM 1295 CA MET A 82 -10.026 -7.294 -3.337 1.00 20.43 C ATOM 1296 C MET A 82 -11.537 -7.054 -3.489 1.00 40.14 C ATOM 1297 O MET A 82 -12.282 -7.957 -3.879 1.00 61.32 O ATOM 1298 CB MET A 82 -9.720 -7.832 -1.930 1.00 22.45 C ATOM 1299 CG MET A 82 -8.254 -8.187 -1.716 1.00 34.33 C ATOM 1300 SD MET A 82 -7.954 -8.996 -0.131 1.00 0.54 S ATOM 1301 CE MET A 82 -8.868 -10.526 -0.343 1.00 11.41 C ATOM 0 H MET A 82 -8.981 -5.553 -2.767 1.00 65.05 H new ATOM 0 HA MET A 82 -9.724 -8.036 -4.076 1.00 20.43 H new ATOM 0 HB2 MET A 82 -10.015 -7.085 -1.193 1.00 22.45 H new ATOM 0 HB3 MET A 82 -10.329 -8.717 -1.749 1.00 22.45 H new ATOM 0 HG2 MET A 82 -7.922 -8.842 -2.522 1.00 34.33 H new ATOM 0 HG3 MET A 82 -7.653 -7.280 -1.775 1.00 34.33 H new ATOM 0 HE1 MET A 82 -8.354 -11.332 0.180 1.00 11.41 H new ATOM 0 HE2 MET A 82 -9.872 -10.410 0.066 1.00 11.41 H new ATOM 0 HE3 MET A 82 -8.935 -10.766 -1.404 1.00 11.41 H new ATOM 1311 N GLN A 83 -11.979 -5.838 -3.174 1.00 43.12 N ATOM 1312 CA GLN A 83 -13.381 -5.434 -3.352 1.00 31.33 C ATOM 1313 C GLN A 83 -14.357 -6.292 -2.527 1.00 74.53 C ATOM 1314 O GLN A 83 -15.097 -7.114 -3.070 1.00 13.34 O ATOM 1315 CB GLN A 83 -13.770 -5.461 -4.841 1.00 21.03 C ATOM 1316 CG GLN A 83 -12.933 -4.525 -5.708 1.00 4.32 C ATOM 1317 CD GLN A 83 -13.291 -4.606 -7.179 1.00 74.31 C ATOM 1318 OE1 GLN A 83 -14.148 -3.877 -7.666 1.00 41.41 O ATOM 1319 NE2 GLN A 83 -12.644 -5.500 -7.898 1.00 5.35 N ATOM 0 H GLN A 83 -11.383 -5.105 -2.790 1.00 43.12 H new ATOM 0 HA GLN A 83 -13.462 -4.413 -2.979 1.00 31.33 H new ATOM 0 HB2 GLN A 83 -13.667 -6.479 -5.216 1.00 21.03 H new ATOM 0 HB3 GLN A 83 -14.821 -5.190 -4.938 1.00 21.03 H new ATOM 0 HG2 GLN A 83 -13.068 -3.500 -5.362 1.00 4.32 H new ATOM 0 HG3 GLN A 83 -11.878 -4.768 -5.582 1.00 4.32 H new ATOM 0 HE21 GLN A 83 -11.937 -6.091 -7.461 1.00 5.35 H new ATOM 0 HE22 GLN A 83 -12.850 -5.602 -8.892 1.00 5.35 H new