USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 18 HIS : no HD1:sc=-0.00768 X(o=0.039,f=0) USER MOD Set 1.2: A 33 TYR OH : rot 165:sc= 0.047 USER MOD Single : A 19 GLN : amide:sc= 0.0306 K(o=0.031,f=-5!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -112:sc= -1.69 (180deg=-5.13!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0604 USER MOD Single : A 37 MET CE :methyl -152:sc= -0.765 (180deg=-1.52) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -143:sc= -0.206 (180deg=-1.69!) USER MOD Single : A 44 ASN : amide:sc= 0.0558 K(o=0.056,f=-0.59) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 74:sc= 0.705 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= 0.0107 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ARG A 15 2.959 3.693 0.041 1.00 0.00 N ATOM 182 CA ARG A 15 3.262 2.279 0.228 1.00 0.00 C ATOM 183 C ARG A 15 3.813 2.022 1.627 1.00 0.00 C ATOM 184 O ARG A 15 4.647 2.779 2.127 1.00 0.00 O ATOM 185 CB ARG A 15 4.269 1.808 -0.823 1.00 0.00 C ATOM 186 CG ARG A 15 3.621 1.269 -2.088 1.00 0.00 C ATOM 187 CD ARG A 15 4.499 1.505 -3.307 1.00 0.00 C ATOM 188 NE ARG A 15 5.828 0.922 -3.146 1.00 0.00 N ATOM 189 CZ ARG A 15 6.815 1.089 -4.020 1.00 0.00 C ATOM 190 NH1 ARG A 15 6.623 1.818 -5.110 1.00 0.00 N ATOM 191 NH2 ARG A 15 7.997 0.527 -3.803 1.00 0.00 N ATOM 0 HA ARG A 15 2.336 1.716 0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.923 2.639 -1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.899 1.032 -0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.432 0.201 -1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.654 1.750 -2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.020 1.077 -4.187 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.592 2.576 -3.484 1.00 0.00 H new ATOM 0 HE ARG A 15 6.009 0.356 -2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.716 2.253 -5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.382 1.945 -5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.149 -0.034 -2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.754 0.656 -4.474 1.00 0.00 H new ATOM 205 N LEU A 16 3.342 0.950 2.255 1.00 0.00 N ATOM 206 CA LEU A 16 3.787 0.592 3.597 1.00 0.00 C ATOM 207 C LEU A 16 4.539 -0.735 3.586 1.00 0.00 C ATOM 208 O LEU A 16 4.079 -1.714 3.000 1.00 0.00 O ATOM 209 CB LEU A 16 2.590 0.506 4.546 1.00 0.00 C ATOM 210 CG LEU A 16 2.777 -0.375 5.782 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.859 0.195 6.686 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.465 -0.514 6.541 1.00 0.00 C ATOM 0 H LEU A 16 2.652 0.314 1.856 1.00 0.00 H new ATOM 0 HA LEU A 16 4.466 1.369 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.341 1.514 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.733 0.134 3.985 1.00 0.00 H new ATOM 0 HG LEU A 16 3.091 -1.366 5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.978 -0.445 7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.801 0.242 6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.575 1.197 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.617 -1.144 7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.121 0.471 6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.716 -0.969 5.893 1.00 0.00 H new ATOM 224 N GLU A 17 5.696 -0.759 4.240 1.00 0.00 N ATOM 225 CA GLU A 17 6.510 -1.967 4.306 1.00 0.00 C ATOM 226 C GLU A 17 5.893 -2.988 5.256 1.00 0.00 C ATOM 227 O GLU A 17 5.664 -2.700 6.432 1.00 0.00 O ATOM 228 CB GLU A 17 7.932 -1.626 4.759 1.00 0.00 C ATOM 229 CG GLU A 17 8.987 -2.575 4.215 1.00 0.00 C ATOM 230 CD GLU A 17 10.395 -2.034 4.374 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.739 -1.593 5.490 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.152 -2.052 3.381 1.00 0.00 O ATOM 0 H GLU A 17 6.090 0.043 4.731 1.00 0.00 H new ATOM 0 HA GLU A 17 6.549 -2.403 3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.171 -0.610 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.970 -1.639 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.909 -3.533 4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.791 -2.764 3.159 1.00 0.00 H new ATOM 239 N HIS A 18 5.624 -4.183 4.739 1.00 0.00 N ATOM 240 CA HIS A 18 5.033 -5.248 5.541 1.00 0.00 C ATOM 241 C HIS A 18 5.882 -6.513 5.474 1.00 0.00 C ATOM 242 O HIS A 18 5.989 -7.145 4.424 1.00 0.00 O ATOM 243 CB HIS A 18 3.612 -5.547 5.061 1.00 0.00 C ATOM 244 CG HIS A 18 2.922 -6.610 5.860 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.145 -6.336 6.966 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.894 -7.955 5.706 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.671 -7.466 7.459 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.109 -8.463 6.712 1.00 0.00 N ATOM 0 H HIS A 18 5.806 -4.438 3.768 1.00 0.00 H new ATOM 0 HA HIS A 18 4.995 -4.912 6.577 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.022 -4.631 5.104 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.647 -5.855 4.016 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.395 -8.522 4.936 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.033 -7.559 8.326 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.898 -9.450 6.858 1.00 0.00 H new ATOM 257 N GLN A 19 6.484 -6.876 6.602 1.00 0.00 N ATOM 258 CA GLN A 19 7.325 -8.065 6.670 1.00 0.00 C ATOM 259 C GLN A 19 6.544 -9.309 6.260 1.00 0.00 C ATOM 260 O GLN A 19 5.950 -9.987 7.099 1.00 0.00 O ATOM 261 CB GLN A 19 7.882 -8.242 8.084 1.00 0.00 C ATOM 262 CG GLN A 19 9.235 -7.582 8.292 1.00 0.00 C ATOM 263 CD GLN A 19 9.119 -6.148 8.769 1.00 0.00 C ATOM 264 OE1 GLN A 19 8.250 -5.401 8.319 1.00 0.00 O ATOM 265 NE2 GLN A 19 9.996 -5.756 9.685 1.00 0.00 N ATOM 0 H GLN A 19 6.405 -6.364 7.481 1.00 0.00 H new ATOM 0 HA GLN A 19 8.154 -7.933 5.974 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.172 -7.828 8.800 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.969 -9.307 8.300 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.807 -8.157 9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.794 -7.605 7.356 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.700 -6.409 10.030 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.966 -4.802 10.044 1.00 0.00 H new ATOM 274 N LEU A 20 6.547 -9.603 4.964 1.00 0.00 N ATOM 275 CA LEU A 20 5.837 -10.765 4.442 1.00 0.00 C ATOM 276 C LEU A 20 6.307 -12.044 5.128 1.00 0.00 C ATOM 277 O LEU A 20 7.484 -12.396 5.065 1.00 0.00 O ATOM 278 CB LEU A 20 6.047 -10.878 2.931 1.00 0.00 C ATOM 279 CG LEU A 20 4.944 -11.596 2.152 1.00 0.00 C ATOM 280 CD1 LEU A 20 3.730 -10.695 1.991 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.458 -12.049 0.793 1.00 0.00 C ATOM 0 H LEU A 20 7.033 -9.053 4.256 1.00 0.00 H new ATOM 0 HA LEU A 20 4.775 -10.633 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.157 -9.873 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.988 -11.399 2.753 1.00 0.00 H new ATOM 0 HG LEU A 20 4.643 -12.478 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.956 -11.223 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.347 -10.421 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.015 -9.793 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.659 -12.558 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.787 -11.182 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.296 -12.733 0.930 1.00 0.00 H new ATOM 293 N GLU A 21 5.378 -12.734 5.782 1.00 0.00 N ATOM 294 CA GLU A 21 5.698 -13.974 6.479 1.00 0.00 C ATOM 295 C GLU A 21 5.336 -15.187 5.625 1.00 0.00 C ATOM 296 O GLU A 21 4.448 -15.136 4.774 1.00 0.00 O ATOM 297 CB GLU A 21 4.957 -14.039 7.816 1.00 0.00 C ATOM 298 CG GLU A 21 3.446 -13.952 7.680 1.00 0.00 C ATOM 299 CD GLU A 21 2.730 -14.135 9.004 1.00 0.00 C ATOM 300 OE1 GLU A 21 2.702 -15.276 9.511 1.00 0.00 O ATOM 301 OE2 GLU A 21 2.197 -13.137 9.534 1.00 0.00 O ATOM 0 H GLU A 21 4.399 -12.456 5.844 1.00 0.00 H new ATOM 0 HA GLU A 21 6.772 -13.990 6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.215 -14.971 8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.303 -13.226 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.178 -12.984 7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.104 -14.712 6.978 1.00 0.00 H new ATOM 308 N PRO A 22 6.041 -16.304 5.857 1.00 0.00 N ATOM 309 CA PRO A 22 5.813 -17.551 5.121 1.00 0.00 C ATOM 310 C PRO A 22 4.480 -18.200 5.478 1.00 0.00 C ATOM 311 O PRO A 22 4.156 -19.283 4.993 1.00 0.00 O ATOM 312 CB PRO A 22 6.977 -18.442 5.563 1.00 0.00 C ATOM 313 CG PRO A 22 7.367 -17.919 6.902 1.00 0.00 C ATOM 314 CD PRO A 22 7.114 -16.437 6.857 1.00 0.00 C ATOM 0 HA PRO A 22 5.769 -17.386 4.044 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.676 -19.488 5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.807 -18.387 4.859 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.782 -18.391 7.691 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.415 -18.130 7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.807 -16.052 7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.007 -15.886 6.564 1.00 0.00 H new ATOM 322 N GLY A 23 3.709 -17.530 6.330 1.00 0.00 N ATOM 323 CA GLY A 23 2.420 -18.057 6.737 1.00 0.00 C ATOM 324 C GLY A 23 1.283 -17.100 6.439 1.00 0.00 C ATOM 325 O GLY A 23 0.225 -17.168 7.066 1.00 0.00 O ATOM 0 H GLY A 23 3.955 -16.631 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.239 -19.002 6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.440 -18.272 7.805 1.00 0.00 H new ATOM 329 N ASP A 24 1.499 -16.206 5.481 1.00 0.00 N ATOM 330 CA ASP A 24 0.483 -15.231 5.102 1.00 0.00 C ATOM 331 C ASP A 24 -0.081 -15.544 3.719 1.00 0.00 C ATOM 332 O ASP A 24 0.439 -16.399 3.003 1.00 0.00 O ATOM 333 CB ASP A 24 1.070 -13.818 5.119 1.00 0.00 C ATOM 334 CG ASP A 24 0.986 -13.173 6.488 1.00 0.00 C ATOM 335 OD1 ASP A 24 0.614 -13.873 7.453 1.00 0.00 O ATOM 336 OD2 ASP A 24 1.293 -11.967 6.595 1.00 0.00 O ATOM 0 H ASP A 24 2.369 -16.136 4.952 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.329 -15.288 5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.112 -13.857 4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.540 -13.199 4.396 1.00 0.00 H new ATOM 341 N THR A 25 -1.150 -14.845 3.350 1.00 0.00 N ATOM 342 CA THR A 25 -1.787 -15.049 2.055 1.00 0.00 C ATOM 343 C THR A 25 -2.154 -13.719 1.407 1.00 0.00 C ATOM 344 O THR A 25 -2.392 -12.726 2.095 1.00 0.00 O ATOM 345 CB THR A 25 -3.057 -15.912 2.184 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.880 -15.417 3.246 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.698 -17.367 2.449 1.00 0.00 C ATOM 0 H THR A 25 -1.593 -14.132 3.930 1.00 0.00 H new ATOM 0 HA THR A 25 -1.065 -15.569 1.426 1.00 0.00 H new ATOM 0 HB THR A 25 -3.605 -15.855 1.244 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.686 -15.970 3.320 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.610 -17.957 2.536 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.096 -17.749 1.624 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.130 -17.438 3.376 1.00 0.00 H new ATOM 355 N LEU A 26 -2.199 -13.706 0.079 1.00 0.00 N ATOM 356 CA LEU A 26 -2.538 -12.497 -0.663 1.00 0.00 C ATOM 357 C LEU A 26 -3.908 -11.971 -0.250 1.00 0.00 C ATOM 358 O LEU A 26 -4.058 -10.795 0.082 1.00 0.00 O ATOM 359 CB LEU A 26 -2.518 -12.776 -2.167 1.00 0.00 C ATOM 360 CG LEU A 26 -1.145 -12.738 -2.839 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.175 -13.496 -4.157 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.698 -11.300 -3.058 1.00 0.00 C ATOM 0 H LEU A 26 -2.005 -14.519 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.793 -11.736 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.958 -13.758 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.162 -12.047 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.425 -13.224 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.189 -13.458 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.450 -14.535 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.907 -13.039 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.281 -11.292 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.418 -10.788 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.636 -10.788 -2.098 1.00 0.00 H new ATOM 374 N ALA A 27 -4.905 -12.850 -0.270 1.00 0.00 N ATOM 375 CA ALA A 27 -6.262 -12.475 0.107 1.00 0.00 C ATOM 376 C ALA A 27 -6.296 -11.871 1.506 1.00 0.00 C ATOM 377 O ALA A 27 -7.144 -11.033 1.811 1.00 0.00 O ATOM 378 CB ALA A 27 -7.184 -13.682 0.028 1.00 0.00 C ATOM 0 H ALA A 27 -4.798 -13.827 -0.543 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.612 -11.718 -0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.194 -13.387 0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.192 -14.068 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.828 -14.457 0.707 1.00 0.00 H new ATOM 384 N GLY A 28 -5.369 -12.304 2.356 1.00 0.00 N ATOM 385 CA GLY A 28 -5.312 -11.796 3.714 1.00 0.00 C ATOM 386 C GLY A 28 -4.917 -10.333 3.769 1.00 0.00 C ATOM 387 O GLY A 28 -5.638 -9.509 4.334 1.00 0.00 O ATOM 0 H GLY A 28 -4.657 -12.998 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.285 -11.925 4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.597 -12.384 4.289 1.00 0.00 H new ATOM 391 N LEU A 29 -3.770 -10.009 3.184 1.00 0.00 N ATOM 392 CA LEU A 29 -3.279 -8.635 3.170 1.00 0.00 C ATOM 393 C LEU A 29 -4.301 -7.698 2.533 1.00 0.00 C ATOM 394 O LEU A 29 -4.669 -6.677 3.114 1.00 0.00 O ATOM 395 CB LEU A 29 -1.953 -8.553 2.412 1.00 0.00 C ATOM 396 CG LEU A 29 -0.833 -9.462 2.920 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.259 -9.600 1.871 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.259 -8.925 4.223 1.00 0.00 C ATOM 0 H LEU A 29 -3.162 -10.679 2.713 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.120 -8.322 4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.141 -8.791 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.601 -7.522 2.446 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.252 -10.450 3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.047 -10.250 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.162 -10.031 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.675 -8.618 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.537 -9.585 4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.144 -7.926 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.046 -8.879 4.976 1.00 0.00 H new ATOM 410 N ALA A 30 -4.757 -8.054 1.337 1.00 0.00 N ATOM 411 CA ALA A 30 -5.739 -7.248 0.623 1.00 0.00 C ATOM 412 C ALA A 30 -6.792 -6.693 1.577 1.00 0.00 C ATOM 413 O ALA A 30 -6.946 -5.479 1.709 1.00 0.00 O ATOM 414 CB ALA A 30 -6.398 -8.069 -0.475 1.00 0.00 C ATOM 0 H ALA A 30 -4.462 -8.896 0.842 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.219 -6.405 0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.129 -7.454 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.639 -8.411 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.899 -8.931 -0.034 1.00 0.00 H new ATOM 420 N LEU A 31 -7.515 -7.590 2.238 1.00 0.00 N ATOM 421 CA LEU A 31 -8.555 -7.191 3.180 1.00 0.00 C ATOM 422 C LEU A 31 -7.947 -6.535 4.415 1.00 0.00 C ATOM 423 O LEU A 31 -8.373 -5.457 4.832 1.00 0.00 O ATOM 424 CB LEU A 31 -9.391 -8.404 3.591 1.00 0.00 C ATOM 425 CG LEU A 31 -9.922 -9.272 2.450 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.081 -10.714 2.905 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.244 -8.724 1.934 1.00 0.00 C ATOM 0 H LEU A 31 -7.400 -8.599 2.139 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.200 -6.464 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.787 -9.031 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.239 -8.053 4.179 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.199 -9.248 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.460 -11.316 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.114 -11.103 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.783 -10.757 3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.607 -9.354 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.975 -8.716 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.098 -7.708 1.567 1.00 0.00 H new ATOM 439 N LYS A 32 -6.949 -7.190 4.997 1.00 0.00 N ATOM 440 CA LYS A 32 -6.279 -6.670 6.183 1.00 0.00 C ATOM 441 C LYS A 32 -6.188 -5.149 6.133 1.00 0.00 C ATOM 442 O LYS A 32 -6.277 -4.478 7.162 1.00 0.00 O ATOM 443 CB LYS A 32 -4.877 -7.272 6.307 1.00 0.00 C ATOM 444 CG LYS A 32 -4.087 -6.735 7.488 1.00 0.00 C ATOM 445 CD LYS A 32 -2.591 -6.889 7.275 1.00 0.00 C ATOM 446 CE LYS A 32 -2.087 -8.224 7.800 1.00 0.00 C ATOM 447 NZ LYS A 32 -2.393 -9.340 6.862 1.00 0.00 N ATOM 0 H LYS A 32 -6.585 -8.084 4.666 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.868 -6.953 7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.962 -8.355 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.323 -7.074 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.327 -5.683 7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.382 -7.263 8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.363 -6.806 6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.065 -6.077 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.010 -8.168 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.543 -8.429 8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.098 -9.972 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.772 -8.953 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.524 -9.875 6.664 1.00 0.00 H new ATOM 461 N TYR A 33 -6.013 -4.610 4.932 1.00 0.00 N ATOM 462 CA TYR A 33 -5.909 -3.167 4.749 1.00 0.00 C ATOM 463 C TYR A 33 -7.191 -2.601 4.145 1.00 0.00 C ATOM 464 O TYR A 33 -7.662 -1.537 4.545 1.00 0.00 O ATOM 465 CB TYR A 33 -4.718 -2.830 3.851 1.00 0.00 C ATOM 466 CG TYR A 33 -3.377 -3.056 4.513 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.772 -2.053 5.260 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.716 -4.272 4.392 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.547 -2.254 5.867 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.492 -4.483 4.996 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.911 -3.471 5.732 1.00 0.00 C ATOM 472 OH TYR A 33 0.309 -3.677 6.334 1.00 0.00 O ATOM 0 H TYR A 33 -5.940 -5.151 4.070 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.758 -2.712 5.728 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.773 -3.435 2.946 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.790 -1.787 3.542 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.268 -1.100 5.368 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.167 -5.066 3.816 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.090 -1.463 6.444 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.992 -5.435 4.893 1.00 0.00 H new ATOM 0 HH TYR A 33 0.511 -4.636 6.345 1.00 0.00 H new ATOM 482 N GLY A 34 -7.752 -3.323 3.179 1.00 0.00 N ATOM 483 CA GLY A 34 -8.974 -2.878 2.535 1.00 0.00 C ATOM 484 C GLY A 34 -8.908 -2.991 1.025 1.00 0.00 C ATOM 485 O GLY A 34 -9.938 -3.018 0.352 1.00 0.00 O ATOM 0 H GLY A 34 -7.382 -4.208 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.812 -3.470 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.170 -1.842 2.810 1.00 0.00 H new ATOM 489 N VAL A 35 -7.693 -3.056 0.490 1.00 0.00 N ATOM 490 CA VAL A 35 -7.496 -3.166 -0.950 1.00 0.00 C ATOM 491 C VAL A 35 -7.599 -4.616 -1.409 1.00 0.00 C ATOM 492 O VAL A 35 -7.649 -5.536 -0.593 1.00 0.00 O ATOM 493 CB VAL A 35 -6.128 -2.600 -1.375 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.924 -1.207 -0.799 1.00 0.00 C ATOM 495 CG2 VAL A 35 -5.008 -3.535 -0.942 1.00 0.00 C ATOM 0 H VAL A 35 -6.830 -3.034 1.033 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.285 -2.581 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.107 -2.524 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.952 -0.823 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.709 -0.544 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.964 -1.254 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.048 -3.120 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.025 -3.645 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.148 -4.511 -1.408 1.00 0.00 H new ATOM 505 N THR A 36 -7.631 -4.814 -2.724 1.00 0.00 N ATOM 506 CA THR A 36 -7.728 -6.152 -3.293 1.00 0.00 C ATOM 507 C THR A 36 -6.348 -6.720 -3.603 1.00 0.00 C ATOM 508 O THR A 36 -5.390 -5.973 -3.801 1.00 0.00 O ATOM 509 CB THR A 36 -8.573 -6.154 -4.581 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.543 -7.452 -5.185 1.00 0.00 O ATOM 511 CG2 THR A 36 -8.056 -5.118 -5.569 1.00 0.00 C ATOM 0 H THR A 36 -7.591 -4.064 -3.414 1.00 0.00 H new ATOM 0 HA THR A 36 -8.215 -6.778 -2.546 1.00 0.00 H new ATOM 0 HB THR A 36 -9.599 -5.901 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.084 -7.445 -6.002 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.668 -5.138 -6.471 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.107 -4.127 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.022 -5.346 -5.827 1.00 0.00 H new ATOM 519 N MET A 37 -6.254 -8.045 -3.644 1.00 0.00 N ATOM 520 CA MET A 37 -4.990 -8.712 -3.932 1.00 0.00 C ATOM 521 C MET A 37 -4.401 -8.216 -5.248 1.00 0.00 C ATOM 522 O MET A 37 -3.290 -7.688 -5.281 1.00 0.00 O ATOM 523 CB MET A 37 -5.190 -10.228 -3.988 1.00 0.00 C ATOM 524 CG MET A 37 -5.889 -10.794 -2.762 1.00 0.00 C ATOM 525 SD MET A 37 -6.862 -12.266 -3.136 1.00 0.00 S ATOM 526 CE MET A 37 -5.593 -13.357 -3.774 1.00 0.00 C ATOM 0 H MET A 37 -7.038 -8.677 -3.482 1.00 0.00 H new ATOM 0 HA MET A 37 -4.291 -8.474 -3.130 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.772 -10.477 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.219 -10.711 -4.098 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.145 -11.038 -2.004 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.540 -10.031 -2.335 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.038 -14.060 -4.479 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.829 -12.769 -4.282 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.139 -13.908 -2.950 1.00 0.00 H new ATOM 536 N GLU A 38 -5.152 -8.390 -6.331 1.00 0.00 N ATOM 537 CA GLU A 38 -4.703 -7.961 -7.650 1.00 0.00 C ATOM 538 C GLU A 38 -3.990 -6.614 -7.570 1.00 0.00 C ATOM 539 O GLU A 38 -2.840 -6.483 -7.989 1.00 0.00 O ATOM 540 CB GLU A 38 -5.889 -7.866 -8.612 1.00 0.00 C ATOM 541 CG GLU A 38 -5.482 -7.654 -10.060 1.00 0.00 C ATOM 542 CD GLU A 38 -6.674 -7.512 -10.986 1.00 0.00 C ATOM 543 OE1 GLU A 38 -7.477 -6.578 -10.782 1.00 0.00 O ATOM 544 OE2 GLU A 38 -6.805 -8.337 -11.915 1.00 0.00 O ATOM 0 H GLU A 38 -6.074 -8.825 -6.321 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.999 -8.704 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.479 -8.780 -8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.534 -7.044 -8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.862 -6.760 -10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.870 -8.494 -10.388 1.00 0.00 H new ATOM 551 N GLN A 39 -4.682 -5.616 -7.029 1.00 0.00 N ATOM 552 CA GLN A 39 -4.116 -4.279 -6.895 1.00 0.00 C ATOM 553 C GLN A 39 -2.663 -4.347 -6.437 1.00 0.00 C ATOM 554 O GLN A 39 -1.755 -3.933 -7.158 1.00 0.00 O ATOM 555 CB GLN A 39 -4.937 -3.451 -5.905 1.00 0.00 C ATOM 556 CG GLN A 39 -6.203 -2.863 -6.507 1.00 0.00 C ATOM 557 CD GLN A 39 -5.978 -1.493 -7.115 1.00 0.00 C ATOM 558 OE1 GLN A 39 -5.780 -1.361 -8.323 1.00 0.00 O ATOM 559 NE2 GLN A 39 -6.007 -0.462 -6.278 1.00 0.00 N ATOM 0 H GLN A 39 -5.635 -5.708 -6.677 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.148 -3.799 -7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.206 -4.078 -5.055 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.317 -2.641 -5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.584 -3.538 -7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.969 -2.792 -5.735 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.174 -0.617 -5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.862 0.484 -6.629 1.00 0.00 H new ATOM 568 N ILE A 40 -2.450 -4.870 -5.234 1.00 0.00 N ATOM 569 CA ILE A 40 -1.107 -4.992 -4.681 1.00 0.00 C ATOM 570 C ILE A 40 -0.151 -5.614 -5.693 1.00 0.00 C ATOM 571 O ILE A 40 0.875 -5.026 -6.036 1.00 0.00 O ATOM 572 CB ILE A 40 -1.103 -5.842 -3.397 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.033 -5.228 -2.349 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.311 -5.967 -2.850 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.568 -6.233 -1.353 1.00 0.00 C ATOM 0 H ILE A 40 -3.190 -5.216 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.771 -3.983 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.468 -6.840 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.496 -4.447 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.871 -4.749 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.298 -6.570 -1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.948 -6.445 -3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.701 -4.975 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.220 -5.727 -0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.133 -7.002 -1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.737 -6.695 -0.820 1.00 0.00 H new ATOM 587 N LYS A 41 -0.493 -6.806 -6.168 1.00 0.00 N ATOM 588 CA LYS A 41 0.332 -7.508 -7.143 1.00 0.00 C ATOM 589 C LYS A 41 0.684 -6.597 -8.314 1.00 0.00 C ATOM 590 O LYS A 41 1.848 -6.251 -8.516 1.00 0.00 O ATOM 591 CB LYS A 41 -0.393 -8.755 -7.653 1.00 0.00 C ATOM 592 CG LYS A 41 -0.734 -9.751 -6.558 1.00 0.00 C ATOM 593 CD LYS A 41 -1.891 -10.650 -6.961 1.00 0.00 C ATOM 594 CE LYS A 41 -1.429 -11.781 -7.868 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.195 -11.314 -9.262 1.00 0.00 N ATOM 0 H LYS A 41 -1.338 -7.307 -5.893 1.00 0.00 H new ATOM 0 HA LYS A 41 1.256 -7.810 -6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.312 -8.451 -8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.230 -9.248 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.141 -10.361 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.990 -9.215 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.358 -11.066 -6.068 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.651 -10.059 -7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.510 -12.213 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.178 -12.573 -7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.495 -12.052 -9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.743 -10.447 -9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.183 -11.116 -9.397 1.00 0.00 H new ATOM 609 N ARG A 42 -0.329 -6.211 -9.082 1.00 0.00 N ATOM 610 CA ARG A 42 -0.126 -5.339 -10.234 1.00 0.00 C ATOM 611 C ARG A 42 0.655 -4.090 -9.838 1.00 0.00 C ATOM 612 O ARG A 42 1.430 -3.554 -10.630 1.00 0.00 O ATOM 613 CB ARG A 42 -1.472 -4.941 -10.842 1.00 0.00 C ATOM 614 CG ARG A 42 -2.153 -6.065 -11.604 1.00 0.00 C ATOM 615 CD ARG A 42 -3.341 -5.556 -12.406 1.00 0.00 C ATOM 616 NE ARG A 42 -2.924 -4.859 -13.620 1.00 0.00 N ATOM 617 CZ ARG A 42 -3.745 -4.581 -14.626 1.00 0.00 C ATOM 618 NH1 ARG A 42 -5.020 -4.939 -14.564 1.00 0.00 N ATOM 619 NH2 ARG A 42 -3.291 -3.944 -15.698 1.00 0.00 N ATOM 0 H ARG A 42 -1.299 -6.488 -8.928 1.00 0.00 H new ATOM 0 HA ARG A 42 0.452 -5.888 -10.977 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.134 -4.600 -10.046 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.322 -4.097 -11.515 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.436 -6.538 -12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.487 -6.831 -10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.984 -6.395 -12.672 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.934 -4.883 -11.787 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.949 -4.570 -13.699 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.373 -5.429 -13.742 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.648 -4.724 -15.338 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.311 -3.667 -15.750 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.922 -3.731 -16.470 1.00 0.00 H new ATOM 633 N ALA A 43 0.445 -3.630 -8.609 1.00 0.00 N ATOM 634 CA ALA A 43 1.131 -2.446 -8.109 1.00 0.00 C ATOM 635 C ALA A 43 2.626 -2.701 -7.953 1.00 0.00 C ATOM 636 O ALA A 43 3.439 -1.788 -8.089 1.00 0.00 O ATOM 637 CB ALA A 43 0.527 -2.007 -6.783 1.00 0.00 C ATOM 0 H ALA A 43 -0.195 -4.060 -7.941 1.00 0.00 H new ATOM 0 HA ALA A 43 1.001 -1.646 -8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.049 -1.121 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.529 -1.774 -6.923 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.627 -2.811 -6.054 1.00 0.00 H new ATOM 643 N ASN A 44 2.981 -3.949 -7.665 1.00 0.00 N ATOM 644 CA ASN A 44 4.380 -4.325 -7.490 1.00 0.00 C ATOM 645 C ASN A 44 4.762 -5.458 -8.436 1.00 0.00 C ATOM 646 O ASN A 44 5.733 -6.177 -8.200 1.00 0.00 O ATOM 647 CB ASN A 44 4.638 -4.746 -6.041 1.00 0.00 C ATOM 648 CG ASN A 44 4.090 -3.745 -5.042 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.101 -2.539 -5.285 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.608 -4.244 -3.910 1.00 0.00 N ATOM 0 H ASN A 44 2.320 -4.717 -7.548 1.00 0.00 H new ATOM 0 HA ASN A 44 4.996 -3.457 -7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.183 -5.720 -5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.711 -4.862 -5.884 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.226 -3.620 -3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.619 -5.251 -3.751 1.00 0.00 H new ATOM 657 N ARG A 45 3.992 -5.611 -9.509 1.00 0.00 N ATOM 658 CA ARG A 45 4.249 -6.657 -10.491 1.00 0.00 C ATOM 659 C ARG A 45 4.818 -7.904 -9.821 1.00 0.00 C ATOM 660 O ARG A 45 5.783 -8.498 -10.306 1.00 0.00 O ATOM 661 CB ARG A 45 5.219 -6.153 -11.562 1.00 0.00 C ATOM 662 CG ARG A 45 4.624 -5.089 -12.470 1.00 0.00 C ATOM 663 CD ARG A 45 4.489 -3.756 -11.751 1.00 0.00 C ATOM 664 NE ARG A 45 4.567 -2.626 -12.674 1.00 0.00 N ATOM 665 CZ ARG A 45 4.617 -1.358 -12.280 1.00 0.00 C ATOM 666 NH1 ARG A 45 4.599 -1.060 -10.989 1.00 0.00 N ATOM 667 NH2 ARG A 45 4.687 -0.386 -13.180 1.00 0.00 N ATOM 0 H ARG A 45 3.185 -5.024 -9.720 1.00 0.00 H new ATOM 0 HA ARG A 45 3.302 -6.919 -10.962 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.106 -5.748 -11.075 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.546 -6.996 -12.170 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.254 -4.967 -13.351 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.645 -5.415 -12.822 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.538 -3.725 -11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.275 -3.667 -11.002 1.00 0.00 H new ATOM 0 HE ARG A 45 4.584 -2.821 -13.675 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.547 -1.805 -10.294 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.638 -0.086 -10.690 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.702 -0.612 -14.175 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.725 0.587 -12.877 1.00 0.00 H new ATOM 681 N LEU A 46 4.216 -8.296 -8.704 1.00 0.00 N ATOM 682 CA LEU A 46 4.662 -9.473 -7.966 1.00 0.00 C ATOM 683 C LEU A 46 4.351 -10.750 -8.739 1.00 0.00 C ATOM 684 O LEU A 46 4.876 -11.820 -8.427 1.00 0.00 O ATOM 685 CB LEU A 46 3.995 -9.520 -6.590 1.00 0.00 C ATOM 686 CG LEU A 46 4.728 -8.791 -5.464 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.860 -8.726 -4.217 1.00 0.00 C ATOM 688 CD2 LEU A 46 6.053 -9.475 -5.159 1.00 0.00 C ATOM 0 H LEU A 46 3.417 -7.816 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 46 5.742 -9.403 -7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.994 -9.097 -6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.875 -10.564 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 46 4.935 -7.772 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.398 -8.204 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.938 -8.191 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.621 -9.737 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.561 -8.942 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.869 -10.505 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.680 -9.469 -6.051 1.00 0.00 H new ATOM 700 N TYR A 47 3.497 -10.631 -9.749 1.00 0.00 N ATOM 701 CA TYR A 47 3.115 -11.777 -10.566 1.00 0.00 C ATOM 702 C TYR A 47 4.348 -12.494 -11.108 1.00 0.00 C ATOM 703 O TYR A 47 5.019 -12.003 -12.016 1.00 0.00 O ATOM 704 CB TYR A 47 2.223 -11.329 -11.725 1.00 0.00 C ATOM 705 CG TYR A 47 2.966 -10.577 -12.806 1.00 0.00 C ATOM 706 CD1 TYR A 47 3.173 -9.206 -12.709 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.460 -11.237 -13.924 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.851 -8.515 -13.695 1.00 0.00 C ATOM 709 CE2 TYR A 47 4.140 -10.554 -14.914 1.00 0.00 C ATOM 710 CZ TYR A 47 4.333 -9.193 -14.795 1.00 0.00 C ATOM 711 OH TYR A 47 5.008 -8.509 -15.780 1.00 0.00 O ATOM 0 H TYR A 47 3.056 -9.753 -10.022 1.00 0.00 H new ATOM 0 HA TYR A 47 2.560 -12.471 -9.936 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.747 -12.205 -12.165 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.426 -10.695 -11.335 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.798 -8.672 -11.849 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.310 -12.302 -14.021 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.003 -7.450 -13.605 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.518 -11.083 -15.776 1.00 0.00 H new ATOM 0 HH TYR A 47 5.282 -9.134 -16.484 1.00 0.00 H new ATOM 721 N THR A 48 4.642 -13.662 -10.543 1.00 0.00 N ATOM 722 CA THR A 48 5.793 -14.448 -10.966 1.00 0.00 C ATOM 723 C THR A 48 5.422 -15.916 -11.141 1.00 0.00 C ATOM 724 O THR A 48 4.416 -16.380 -10.605 1.00 0.00 O ATOM 725 CB THR A 48 6.950 -14.339 -9.955 1.00 0.00 C ATOM 726 OG1 THR A 48 6.520 -14.794 -8.668 1.00 0.00 O ATOM 727 CG2 THR A 48 7.446 -12.905 -9.853 1.00 0.00 C ATOM 0 H THR A 48 4.097 -14.084 -9.791 1.00 0.00 H new ATOM 0 HA THR A 48 6.118 -14.042 -11.924 1.00 0.00 H new ATOM 0 HB THR A 48 7.770 -14.966 -10.305 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.445 -15.771 -8.675 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.263 -12.853 -9.133 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.800 -12.572 -10.829 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.631 -12.261 -9.524 1.00 0.00 H new ATOM 735 N ASN A 49 6.241 -16.644 -11.893 1.00 0.00 N ATOM 736 CA ASN A 49 5.998 -18.061 -12.138 1.00 0.00 C ATOM 737 C ASN A 49 5.724 -18.799 -10.831 1.00 0.00 C ATOM 738 O ASN A 49 4.829 -19.641 -10.758 1.00 0.00 O ATOM 739 CB ASN A 49 7.197 -18.689 -12.850 1.00 0.00 C ATOM 740 CG ASN A 49 7.321 -18.230 -14.290 1.00 0.00 C ATOM 741 OD1 ASN A 49 6.339 -18.207 -15.033 1.00 0.00 O ATOM 742 ND2 ASN A 49 8.532 -17.860 -14.691 1.00 0.00 N ATOM 0 H ASN A 49 7.079 -16.276 -12.343 1.00 0.00 H new ATOM 0 HA ASN A 49 5.118 -18.149 -12.776 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.110 -18.435 -12.311 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.103 -19.775 -12.825 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.677 -17.541 -15.649 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.317 -17.895 -14.041 1.00 0.00 H new ATOM 749 N ASP A 50 6.501 -18.478 -9.802 1.00 0.00 N ATOM 750 CA ASP A 50 6.341 -19.109 -8.498 1.00 0.00 C ATOM 751 C ASP A 50 5.644 -18.168 -7.520 1.00 0.00 C ATOM 752 O ASP A 50 5.675 -16.949 -7.688 1.00 0.00 O ATOM 753 CB ASP A 50 7.703 -19.527 -7.939 1.00 0.00 C ATOM 754 CG ASP A 50 7.598 -20.139 -6.556 1.00 0.00 C ATOM 755 OD1 ASP A 50 7.353 -19.385 -5.591 1.00 0.00 O ATOM 756 OD2 ASP A 50 7.761 -21.371 -6.440 1.00 0.00 O ATOM 0 H ASP A 50 7.248 -17.785 -9.846 1.00 0.00 H new ATOM 0 HA ASP A 50 5.721 -19.996 -8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.166 -20.245 -8.616 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.359 -18.657 -7.899 1.00 0.00 H new ATOM 761 N SER A 51 5.015 -18.742 -6.500 1.00 0.00 N ATOM 762 CA SER A 51 4.306 -17.955 -5.498 1.00 0.00 C ATOM 763 C SER A 51 5.063 -16.669 -5.182 1.00 0.00 C ATOM 764 O SER A 51 6.272 -16.578 -5.400 1.00 0.00 O ATOM 765 CB SER A 51 4.111 -18.773 -4.220 1.00 0.00 C ATOM 766 OG SER A 51 3.142 -19.790 -4.408 1.00 0.00 O ATOM 0 H SER A 51 4.982 -19.750 -6.345 1.00 0.00 H new ATOM 0 HA SER A 51 3.329 -17.691 -5.904 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.059 -19.221 -3.923 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.800 -18.116 -3.408 1.00 0.00 H new ATOM 0 HG SER A 51 3.037 -20.299 -3.577 1.00 0.00 H new ATOM 772 N ILE A 52 4.344 -15.678 -4.666 1.00 0.00 N ATOM 773 CA ILE A 52 4.947 -14.397 -4.319 1.00 0.00 C ATOM 774 C ILE A 52 5.924 -14.547 -3.158 1.00 0.00 C ATOM 775 O ILE A 52 6.810 -13.713 -2.966 1.00 0.00 O ATOM 776 CB ILE A 52 3.878 -13.354 -3.944 1.00 0.00 C ATOM 777 CG1 ILE A 52 3.015 -13.869 -2.790 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.014 -13.023 -5.152 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.457 -12.768 -1.915 1.00 0.00 C ATOM 0 H ILE A 52 3.343 -15.738 -4.479 1.00 0.00 H new ATOM 0 HA ILE A 52 5.485 -14.052 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 52 4.379 -12.442 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.189 -14.453 -3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.610 -14.544 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.263 -12.284 -4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.640 -12.619 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.519 -13.928 -5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.856 -13.206 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.278 -12.198 -1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.835 -12.105 -2.517 1.00 0.00 H new ATOM 791 N PHE A 53 5.758 -15.616 -2.386 1.00 0.00 N ATOM 792 CA PHE A 53 6.626 -15.876 -1.243 1.00 0.00 C ATOM 793 C PHE A 53 8.093 -15.696 -1.622 1.00 0.00 C ATOM 794 O PHE A 53 8.949 -15.492 -0.760 1.00 0.00 O ATOM 795 CB PHE A 53 6.396 -17.293 -0.713 1.00 0.00 C ATOM 796 CG PHE A 53 5.124 -17.439 0.073 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.029 -16.939 1.361 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.024 -18.077 -0.477 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.860 -17.071 2.087 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.853 -18.213 0.244 1.00 0.00 C ATOM 801 CZ PHE A 53 2.771 -17.710 1.528 1.00 0.00 C ATOM 0 H PHE A 53 5.031 -16.316 -2.531 1.00 0.00 H new ATOM 0 HA PHE A 53 6.380 -15.158 -0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.377 -17.988 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.238 -17.578 -0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.878 -16.440 1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.082 -18.472 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.799 -16.675 3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.002 -18.712 -0.196 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.857 -17.816 2.093 1.00 0.00 H new ATOM 811 N LEU A 54 8.377 -15.772 -2.918 1.00 0.00 N ATOM 812 CA LEU A 54 9.741 -15.617 -3.413 1.00 0.00 C ATOM 813 C LEU A 54 10.404 -14.385 -2.807 1.00 0.00 C ATOM 814 O LEU A 54 11.625 -14.332 -2.659 1.00 0.00 O ATOM 815 CB LEU A 54 9.741 -15.512 -4.939 1.00 0.00 C ATOM 816 CG LEU A 54 9.251 -16.747 -5.697 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.795 -16.367 -7.097 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.344 -17.804 -5.758 1.00 0.00 C ATOM 0 H LEU A 54 7.681 -15.940 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 54 10.312 -16.497 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.118 -14.664 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.756 -15.287 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 54 8.399 -17.165 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.450 -17.258 -7.622 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.980 -15.646 -7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.628 -15.924 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.978 -18.675 -6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.215 -17.397 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.623 -18.098 -4.746 1.00 0.00 H new ATOM 830 N LYS A 55 9.590 -13.395 -2.455 1.00 0.00 N ATOM 831 CA LYS A 55 10.096 -12.163 -1.861 1.00 0.00 C ATOM 832 C LYS A 55 10.139 -12.270 -0.340 1.00 0.00 C ATOM 833 O LYS A 55 9.829 -13.317 0.228 1.00 0.00 O ATOM 834 CB LYS A 55 9.222 -10.977 -2.274 1.00 0.00 C ATOM 835 CG LYS A 55 9.221 -10.714 -3.770 1.00 0.00 C ATOM 836 CD LYS A 55 9.018 -9.240 -4.078 1.00 0.00 C ATOM 837 CE LYS A 55 10.345 -8.500 -4.159 1.00 0.00 C ATOM 838 NZ LYS A 55 10.968 -8.625 -5.506 1.00 0.00 N ATOM 0 H LYS A 55 8.577 -13.422 -2.571 1.00 0.00 H new ATOM 0 HA LYS A 55 11.111 -12.004 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.199 -11.158 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.570 -10.083 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.165 -11.050 -4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.430 -11.297 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.483 -9.135 -5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.395 -8.788 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.188 -7.446 -3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.027 -8.894 -3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.870 -8.107 -5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.141 -9.629 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.328 -8.226 -6.223 1.00 0.00 H new ATOM 852 N LYS A 56 10.526 -11.180 0.315 1.00 0.00 N ATOM 853 CA LYS A 56 10.607 -11.150 1.770 1.00 0.00 C ATOM 854 C LYS A 56 9.659 -10.103 2.346 1.00 0.00 C ATOM 855 O LYS A 56 8.943 -10.364 3.314 1.00 0.00 O ATOM 856 CB LYS A 56 12.041 -10.855 2.215 1.00 0.00 C ATOM 857 CG LYS A 56 12.183 -10.647 3.713 1.00 0.00 C ATOM 858 CD LYS A 56 12.243 -11.971 4.456 1.00 0.00 C ATOM 859 CE LYS A 56 10.856 -12.447 4.860 1.00 0.00 C ATOM 860 NZ LYS A 56 10.466 -11.942 6.205 1.00 0.00 N ATOM 0 H LYS A 56 10.788 -10.306 -0.140 1.00 0.00 H new ATOM 0 HA LYS A 56 10.310 -12.129 2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.684 -11.680 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.397 -9.964 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.086 -10.073 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.342 -10.060 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.717 -12.722 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.865 -11.863 5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.128 -12.112 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.832 -13.537 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.429 -11.940 6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.871 -12.559 6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.825 -10.974 6.330 1.00 0.00 H new ATOM 874 N THR A 57 9.658 -8.917 1.745 1.00 0.00 N ATOM 875 CA THR A 57 8.798 -7.832 2.198 1.00 0.00 C ATOM 876 C THR A 57 7.966 -7.272 1.049 1.00 0.00 C ATOM 877 O THR A 57 8.479 -7.040 -0.046 1.00 0.00 O ATOM 878 CB THR A 57 9.619 -6.689 2.826 1.00 0.00 C ATOM 879 OG1 THR A 57 10.915 -6.628 2.221 1.00 0.00 O ATOM 880 CG2 THR A 57 9.763 -6.888 4.327 1.00 0.00 C ATOM 0 H THR A 57 10.244 -8.684 0.943 1.00 0.00 H new ATOM 0 HA THR A 57 8.133 -8.251 2.954 1.00 0.00 H new ATOM 0 HB THR A 57 9.091 -5.752 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.430 -5.898 2.624 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.346 -6.069 4.748 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.776 -6.905 4.788 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.271 -7.833 4.522 1.00 0.00 H new ATOM 888 N LEU A 58 6.681 -7.057 1.306 1.00 0.00 N ATOM 889 CA LEU A 58 5.777 -6.524 0.292 1.00 0.00 C ATOM 890 C LEU A 58 5.176 -5.197 0.743 1.00 0.00 C ATOM 891 O LEU A 58 4.865 -5.013 1.920 1.00 0.00 O ATOM 892 CB LEU A 58 4.662 -7.528 -0.004 1.00 0.00 C ATOM 893 CG LEU A 58 5.088 -8.815 -0.713 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.880 -9.521 -1.308 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.118 -8.513 -1.792 1.00 0.00 C ATOM 0 H LEU A 58 6.241 -7.243 2.207 1.00 0.00 H new ATOM 0 HA LEU A 58 6.352 -6.351 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.183 -7.797 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.907 -7.033 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 58 5.545 -9.478 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.202 -10.434 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.177 -9.771 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.394 -8.864 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.410 -9.440 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.688 -7.831 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.995 -8.052 -1.339 1.00 0.00 H new ATOM 907 N TYR A 59 5.013 -4.276 -0.201 1.00 0.00 N ATOM 908 CA TYR A 59 4.448 -2.966 0.099 1.00 0.00 C ATOM 909 C TYR A 59 2.948 -2.943 -0.176 1.00 0.00 C ATOM 910 O TYR A 59 2.463 -3.613 -1.088 1.00 0.00 O ATOM 911 CB TYR A 59 5.146 -1.885 -0.728 1.00 0.00 C ATOM 912 CG TYR A 59 6.586 -2.210 -1.056 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.421 -2.791 -0.110 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.112 -1.935 -2.312 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.737 -3.089 -0.405 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.427 -2.230 -2.617 1.00 0.00 C ATOM 917 CZ TYR A 59 9.236 -2.806 -1.660 1.00 0.00 C ATOM 918 OH TYR A 59 10.546 -3.102 -1.958 1.00 0.00 O ATOM 0 H TYR A 59 5.264 -4.413 -1.180 1.00 0.00 H new ATOM 0 HA TYR A 59 4.608 -2.764 1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.595 -1.737 -1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.110 -0.942 -0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.034 -3.014 0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.482 -1.483 -3.063 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.372 -3.541 0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.819 -2.011 -3.599 1.00 0.00 H new ATOM 0 HH TYR A 59 10.738 -2.841 -2.883 1.00 0.00 H new ATOM 928 N ILE A 60 2.219 -2.166 0.618 1.00 0.00 N ATOM 929 CA ILE A 60 0.774 -2.054 0.460 1.00 0.00 C ATOM 930 C ILE A 60 0.375 -0.639 0.053 1.00 0.00 C ATOM 931 O ILE A 60 0.660 0.337 0.747 1.00 0.00 O ATOM 932 CB ILE A 60 0.035 -2.431 1.757 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.512 -3.794 2.264 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.469 -2.444 1.524 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.022 -4.955 1.428 1.00 0.00 C ATOM 0 H ILE A 60 2.605 -1.605 1.377 1.00 0.00 H new ATOM 0 HA ILE A 60 0.487 -2.751 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 60 0.260 -1.683 2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.602 -3.805 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.174 -3.929 3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.978 -2.712 2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.796 -1.455 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.711 -3.174 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.399 -5.889 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.068 -4.970 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.382 -4.844 0.405 1.00 0.00 H new ATOM 947 N PRO A 61 -0.304 -0.524 -1.098 1.00 0.00 N ATOM 948 CA PRO A 61 -0.761 0.766 -1.622 1.00 0.00 C ATOM 949 C PRO A 61 -1.885 1.367 -0.785 1.00 0.00 C ATOM 950 O PRO A 61 -2.970 0.793 -0.682 1.00 0.00 O ATOM 951 CB PRO A 61 -1.265 0.421 -3.025 1.00 0.00 C ATOM 952 CG PRO A 61 -1.639 -1.019 -2.950 1.00 0.00 C ATOM 953 CD PRO A 61 -0.680 -1.646 -1.976 1.00 0.00 C ATOM 0 HA PRO A 61 0.032 1.514 -1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.120 1.038 -3.301 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.493 0.591 -3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.669 -1.138 -2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.566 -1.493 -3.929 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.148 -2.455 -1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.188 -2.069 -2.482 1.00 0.00 H new ATOM 961 N ILE A 62 -1.619 2.525 -0.189 1.00 0.00 N ATOM 962 CA ILE A 62 -2.609 3.203 0.637 1.00 0.00 C ATOM 963 C ILE A 62 -3.399 4.223 -0.177 1.00 0.00 C ATOM 964 O ILE A 62 -2.837 5.187 -0.698 1.00 0.00 O ATOM 965 CB ILE A 62 -1.951 3.916 1.833 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.846 3.043 2.431 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.994 4.255 2.888 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.053 3.783 3.397 1.00 0.00 C ATOM 0 H ILE A 62 -0.726 3.012 -0.263 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.287 2.436 1.010 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.504 4.845 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.301 2.197 2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.239 2.635 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.513 4.758 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.749 4.911 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.468 3.338 3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.813 3.102 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.537 4.613 2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.542 4.168 4.225 1.00 0.00 H new