USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 561 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 46 THR OG1 : rot -57:sc= 2.31 USER MOD Set 1.2: A 48 THR OG1 : rot -72:sc= 1.21 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.113) USER MOD Set 2.2: A 73 LYS NZ :NH3+ 164:sc= -0.0137 (180deg=-0.208) USER MOD Single : A 18 SER OG : rot 40:sc= 0.00435 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 152:sc= 0.675 (180deg=-0.0557) USER MOD Single : A 27 HIS : no HE2:sc= -13.9! C(o=-14!,f=-20!) USER MOD Single : A 28 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-8.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0596) USER MOD Single : A 40 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.0088) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.679 K(o=0.68,f=-2.8!) USER MOD Single : A 61 GLN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= -0.525 (180deg=-1.82!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.283 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 82 SER OG : rot -82:sc= 0.431 USER MOD Single : A 85 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.286 -7.348 -3.310 1.00 0.00 N ATOM 215 CA ALA A 17 11.048 -7.570 -4.047 1.00 0.00 C ATOM 216 C ALA A 17 10.221 -6.292 -4.126 1.00 0.00 C ATOM 217 O ALA A 17 10.237 -5.472 -3.208 1.00 0.00 O ATOM 218 CB ALA A 17 10.241 -8.684 -3.398 1.00 0.00 C ATOM 0 HA ALA A 17 11.306 -7.868 -5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.319 -8.839 -3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.825 -9.604 -3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.000 -8.408 -2.372 1.00 0.00 H new ATOM 224 N SER A 18 9.497 -6.129 -5.230 1.00 0.00 N ATOM 225 CA SER A 18 8.666 -4.947 -5.431 1.00 0.00 C ATOM 226 C SER A 18 7.328 -5.326 -6.058 1.00 0.00 C ATOM 227 O SER A 18 7.281 -5.969 -7.106 1.00 0.00 O ATOM 228 CB SER A 18 9.391 -3.934 -6.319 1.00 0.00 C ATOM 229 OG SER A 18 10.028 -4.575 -7.410 1.00 0.00 O ATOM 0 H SER A 18 9.469 -6.800 -5.998 1.00 0.00 H new ATOM 0 HA SER A 18 8.476 -4.495 -4.458 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.679 -3.197 -6.691 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.131 -3.393 -5.729 1.00 0.00 H new ATOM 0 HG SER A 18 9.448 -5.285 -7.757 1.00 0.00 H new ATOM 235 N ALA A 19 6.242 -4.921 -5.408 1.00 0.00 N ATOM 236 CA ALA A 19 4.902 -5.215 -5.902 1.00 0.00 C ATOM 237 C ALA A 19 4.101 -3.934 -6.113 1.00 0.00 C ATOM 238 O ALA A 19 4.605 -2.832 -5.894 1.00 0.00 O ATOM 239 CB ALA A 19 4.175 -6.141 -4.938 1.00 0.00 C ATOM 0 H ALA A 19 6.264 -4.389 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 19 4.999 -5.715 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.176 -6.352 -5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.731 -7.074 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.097 -5.662 -3.962 1.00 0.00 H new ATOM 245 N THR A 20 2.852 -4.086 -6.541 1.00 0.00 N ATOM 246 CA THR A 20 1.983 -2.942 -6.784 1.00 0.00 C ATOM 247 C THR A 20 0.566 -3.214 -6.292 1.00 0.00 C ATOM 248 O THR A 20 0.145 -4.366 -6.187 1.00 0.00 O ATOM 249 CB THR A 20 1.934 -2.582 -8.281 1.00 0.00 C ATOM 250 OG1 THR A 20 1.987 -3.772 -9.074 1.00 0.00 O ATOM 251 CG2 THR A 20 3.089 -1.665 -8.654 1.00 0.00 C ATOM 0 H THR A 20 2.420 -4.991 -6.727 1.00 0.00 H new ATOM 0 HA THR A 20 2.403 -2.103 -6.229 1.00 0.00 H new ATOM 0 HB THR A 20 0.998 -2.059 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.954 -3.534 -10.024 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.034 -1.424 -9.716 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.028 -0.747 -8.070 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.034 -2.166 -8.444 1.00 0.00 H new ATOM 259 N VAL A 21 -0.167 -2.146 -5.991 1.00 0.00 N ATOM 260 CA VAL A 21 -1.538 -2.270 -5.511 1.00 0.00 C ATOM 261 C VAL A 21 -2.479 -1.366 -6.299 1.00 0.00 C ATOM 262 O VAL A 21 -2.640 -0.189 -5.976 1.00 0.00 O ATOM 263 CB VAL A 21 -1.642 -1.922 -4.015 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.062 -0.542 -3.745 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.088 -2.002 -3.549 1.00 0.00 C ATOM 0 H VAL A 21 0.166 -1.185 -6.071 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.832 -3.310 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.061 -2.650 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.145 -0.314 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.013 -0.524 -4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.613 0.203 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.143 -1.753 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.694 -1.298 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.465 -3.013 -3.704 1.00 0.00 H new ATOM 275 N ALA A 22 -3.099 -1.924 -7.333 1.00 0.00 N ATOM 276 CA ALA A 22 -4.027 -1.170 -8.166 1.00 0.00 C ATOM 277 C ALA A 22 -5.134 -0.542 -7.325 1.00 0.00 C ATOM 278 O ALA A 22 -5.977 -1.245 -6.766 1.00 0.00 O ATOM 279 CB ALA A 22 -4.624 -2.068 -9.240 1.00 0.00 C ATOM 0 H ALA A 22 -2.975 -2.897 -7.614 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.471 -0.366 -8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.315 -1.491 -9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.826 -2.465 -9.867 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.159 -2.892 -8.769 1.00 0.00 H new ATOM 285 N ILE A 23 -5.125 0.784 -7.238 1.00 0.00 N ATOM 286 CA ILE A 23 -6.128 1.506 -6.465 1.00 0.00 C ATOM 287 C ILE A 23 -6.602 2.752 -7.207 1.00 0.00 C ATOM 288 O ILE A 23 -5.897 3.309 -8.048 1.00 0.00 O ATOM 289 CB ILE A 23 -5.585 1.918 -5.084 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.191 2.535 -5.224 1.00 0.00 C ATOM 291 CG2 ILE A 23 -5.549 0.719 -4.150 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.734 3.280 -3.989 1.00 0.00 C ATOM 0 H ILE A 23 -4.434 1.380 -7.693 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.970 0.827 -6.327 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.252 2.666 -4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.474 1.746 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.189 3.219 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.163 1.026 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.556 0.320 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.902 -0.051 -4.571 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.739 3.691 -4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.430 4.091 -3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.704 2.595 -3.141 1.00 0.00 H new ATOM 304 N PRO A 24 -7.824 3.202 -6.886 1.00 0.00 N ATOM 305 CA PRO A 24 -8.418 4.388 -7.508 1.00 0.00 C ATOM 306 C PRO A 24 -7.725 5.677 -7.080 1.00 0.00 C ATOM 307 O PRO A 24 -7.189 5.769 -5.974 1.00 0.00 O ATOM 308 CB PRO A 24 -9.864 4.366 -7.004 1.00 0.00 C ATOM 309 CG PRO A 24 -9.806 3.612 -5.721 1.00 0.00 C ATOM 310 CD PRO A 24 -8.719 2.587 -5.891 1.00 0.00 C ATOM 0 HA PRO A 24 -8.330 4.365 -8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.246 5.376 -6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.526 3.879 -7.720 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.587 4.278 -4.887 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.762 3.135 -5.505 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.202 2.390 -4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.116 1.634 -6.242 1.00 0.00 H new ATOM 318 N LYS A 25 -7.736 6.671 -7.961 1.00 0.00 N ATOM 319 CA LYS A 25 -7.111 7.956 -7.673 1.00 0.00 C ATOM 320 C LYS A 25 -7.757 8.618 -6.461 1.00 0.00 C ATOM 321 O LYS A 25 -7.262 9.624 -5.955 1.00 0.00 O ATOM 322 CB LYS A 25 -7.215 8.881 -8.889 1.00 0.00 C ATOM 323 CG LYS A 25 -6.059 9.858 -9.012 1.00 0.00 C ATOM 324 CD LYS A 25 -4.924 9.278 -9.838 1.00 0.00 C ATOM 325 CE LYS A 25 -3.581 9.864 -9.431 1.00 0.00 C ATOM 326 NZ LYS A 25 -2.468 8.896 -9.638 1.00 0.00 N ATOM 0 H LYS A 25 -8.171 6.611 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.060 7.777 -7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.264 8.274 -9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.148 9.441 -8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.410 10.782 -9.472 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.692 10.116 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.901 8.195 -9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.103 9.477 -10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.389 10.768 -10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.616 10.158 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.585 9.415 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.358 8.307 -8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.683 8.289 -10.455 1.00 0.00 H new ATOM 340 N GLU A 26 -8.864 8.044 -6.000 1.00 0.00 N ATOM 341 CA GLU A 26 -9.576 8.580 -4.846 1.00 0.00 C ATOM 342 C GLU A 26 -9.064 7.952 -3.551 1.00 0.00 C ATOM 343 O GLU A 26 -9.379 8.418 -2.455 1.00 0.00 O ATOM 344 CB GLU A 26 -11.080 8.331 -4.985 1.00 0.00 C ATOM 345 CG GLU A 26 -11.486 6.891 -4.717 1.00 0.00 C ATOM 346 CD GLU A 26 -12.883 6.777 -4.139 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.028 6.918 -2.907 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.830 6.547 -4.919 1.00 0.00 O ATOM 0 H GLU A 26 -9.286 7.210 -6.407 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.395 9.654 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.613 8.984 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.394 8.607 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.434 6.324 -5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.773 6.439 -4.027 1.00 0.00 H new ATOM 355 N HIS A 27 -8.274 6.893 -3.687 1.00 0.00 N ATOM 356 CA HIS A 27 -7.718 6.200 -2.528 1.00 0.00 C ATOM 357 C HIS A 27 -6.248 6.560 -2.336 1.00 0.00 C ATOM 358 O HIS A 27 -5.662 6.283 -1.289 1.00 0.00 O ATOM 359 CB HIS A 27 -7.868 4.688 -2.691 1.00 0.00 C ATOM 360 CG HIS A 27 -9.278 4.206 -2.539 1.00 0.00 C ATOM 361 ND1 HIS A 27 -9.679 2.931 -2.877 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.384 4.837 -2.078 1.00 0.00 C ATOM 363 CE1 HIS A 27 -10.970 2.799 -2.634 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.422 3.941 -2.149 1.00 0.00 N ATOM 0 H HIS A 27 -8.004 6.495 -4.586 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.271 6.518 -1.644 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.498 4.398 -3.674 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.240 4.187 -1.954 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.073 2.203 -3.256 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.439 5.855 -1.721 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.557 1.908 -2.803 1.00 0.00 H new ATOM 372 N HIS A 28 -5.656 7.179 -3.353 1.00 0.00 N ATOM 373 CA HIS A 28 -4.254 7.576 -3.295 1.00 0.00 C ATOM 374 C HIS A 28 -4.028 8.616 -2.201 1.00 0.00 C ATOM 375 O HIS A 28 -3.003 8.601 -1.520 1.00 0.00 O ATOM 376 CB HIS A 28 -3.804 8.135 -4.646 1.00 0.00 C ATOM 377 CG HIS A 28 -3.375 7.078 -5.617 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.227 7.176 -6.377 1.00 0.00 N ATOM 379 CD2 HIS A 28 -3.945 5.897 -5.949 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.112 6.101 -7.135 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.141 5.309 -6.895 1.00 0.00 N ATOM 0 H HIS A 28 -6.126 7.416 -4.227 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.661 6.692 -3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.621 8.709 -5.083 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.978 8.828 -4.487 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.861 5.492 -5.546 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.312 5.903 -7.833 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.311 4.407 -7.340 1.00 0.00 H new ATOM 389 N ARG A 29 -4.993 9.515 -2.039 1.00 0.00 N ATOM 390 CA ARG A 29 -4.898 10.563 -1.029 1.00 0.00 C ATOM 391 C ARG A 29 -5.048 9.981 0.373 1.00 0.00 C ATOM 392 O ARG A 29 -4.374 10.409 1.310 1.00 0.00 O ATOM 393 CB ARG A 29 -5.968 11.629 -1.268 1.00 0.00 C ATOM 394 CG ARG A 29 -7.381 11.150 -0.979 1.00 0.00 C ATOM 395 CD ARG A 29 -8.420 12.051 -1.628 1.00 0.00 C ATOM 396 NE ARG A 29 -8.383 13.407 -1.088 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.289 14.336 -1.369 1.00 0.00 C ATOM 398 NH1 ARG A 29 -10.301 14.056 -2.179 1.00 0.00 N ATOM 399 NH2 ARG A 29 -9.187 15.547 -0.837 1.00 0.00 N ATOM 0 H ARG A 29 -5.849 9.539 -2.593 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.913 11.023 -1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.752 12.495 -0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.911 11.962 -2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.503 10.131 -1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.544 11.123 0.098 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.249 12.085 -2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.413 11.627 -1.476 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.618 13.654 -0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.385 13.125 -2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.996 14.771 -2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.412 15.765 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.884 16.260 -1.054 1.00 0.00 H new ATOM 413 N PHE A 30 -5.938 9.004 0.511 1.00 0.00 N ATOM 414 CA PHE A 30 -6.179 8.364 1.799 1.00 0.00 C ATOM 415 C PHE A 30 -4.917 7.675 2.308 1.00 0.00 C ATOM 416 O PHE A 30 -4.699 7.565 3.515 1.00 0.00 O ATOM 417 CB PHE A 30 -7.317 7.348 1.684 1.00 0.00 C ATOM 418 CG PHE A 30 -8.681 7.957 1.832 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.176 8.286 3.084 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.471 8.200 0.719 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.432 8.847 3.224 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.726 8.762 0.853 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.208 9.084 2.106 1.00 0.00 C ATOM 0 H PHE A 30 -6.505 8.638 -0.254 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.463 9.137 2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.253 6.851 0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.186 6.580 2.446 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.573 8.102 3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.101 7.947 -0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.806 9.099 4.205 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.330 8.949 -0.022 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.190 9.520 2.212 1.00 0.00 H new ATOM 433 N VAL A 31 -4.087 7.212 1.379 1.00 0.00 N ATOM 434 CA VAL A 31 -2.845 6.533 1.732 1.00 0.00 C ATOM 435 C VAL A 31 -1.749 7.536 2.075 1.00 0.00 C ATOM 436 O VAL A 31 -0.927 7.295 2.960 1.00 0.00 O ATOM 437 CB VAL A 31 -2.356 5.626 0.587 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.006 5.015 0.931 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.381 4.543 0.291 1.00 0.00 C ATOM 0 H VAL A 31 -4.252 7.295 0.376 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.058 5.918 2.607 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.235 6.234 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.676 4.377 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.277 5.810 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.097 4.420 1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.019 3.912 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.536 3.935 1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.324 5.005 -0.002 1.00 0.00 H new ATOM 449 N ILE A 32 -1.744 8.662 1.370 1.00 0.00 N ATOM 450 CA ILE A 32 -0.749 9.703 1.601 1.00 0.00 C ATOM 451 C ILE A 32 -1.011 10.432 2.914 1.00 0.00 C ATOM 452 O ILE A 32 -0.085 10.719 3.672 1.00 0.00 O ATOM 453 CB ILE A 32 -0.731 10.729 0.452 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.345 10.048 -0.863 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.232 11.863 0.770 1.00 0.00 C ATOM 456 CD1 ILE A 32 -0.601 10.904 -2.084 1.00 0.00 C ATOM 0 H ILE A 32 -2.417 8.877 0.634 1.00 0.00 H new ATOM 0 HA ILE A 32 0.221 9.208 1.650 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.731 11.148 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.712 9.784 -0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.903 9.117 -0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.234 12.580 -0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.083 12.362 1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.236 11.461 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.304 10.358 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.662 11.147 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.021 11.824 -2.011 1.00 0.00 H new ATOM 468 N GLY A 33 -2.281 10.726 3.179 1.00 0.00 N ATOM 469 CA GLY A 33 -2.643 11.417 4.402 1.00 0.00 C ATOM 470 C GLY A 33 -3.365 12.723 4.138 1.00 0.00 C ATOM 471 O GLY A 33 -3.116 13.387 3.131 1.00 0.00 O ATOM 0 H GLY A 33 -3.065 10.498 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.278 10.770 5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.743 11.614 4.984 1.00 0.00 H new ATOM 475 N LYS A 34 -4.264 13.093 5.044 1.00 0.00 N ATOM 476 CA LYS A 34 -5.026 14.329 4.905 1.00 0.00 C ATOM 477 C LYS A 34 -4.136 15.465 4.411 1.00 0.00 C ATOM 478 O LYS A 34 -4.497 16.191 3.486 1.00 0.00 O ATOM 479 CB LYS A 34 -5.665 14.711 6.242 1.00 0.00 C ATOM 480 CG LYS A 34 -6.489 15.985 6.180 1.00 0.00 C ATOM 481 CD LYS A 34 -7.838 15.745 5.524 1.00 0.00 C ATOM 482 CE LYS A 34 -8.602 17.045 5.326 1.00 0.00 C ATOM 483 NZ LYS A 34 -9.825 16.849 4.500 1.00 0.00 N ATOM 0 H LYS A 34 -4.483 12.555 5.882 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.812 14.161 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.302 13.892 6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.880 14.832 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.637 16.373 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.943 16.746 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.693 15.257 4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.427 15.066 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.881 17.454 6.297 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.953 17.778 4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.318 17.758 4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.557 16.483 3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.456 16.169 4.970 1.00 0.00 H new ATOM 497 N ASN A 35 -2.971 15.611 5.033 1.00 0.00 N ATOM 498 CA ASN A 35 -2.029 16.658 4.655 1.00 0.00 C ATOM 499 C ASN A 35 -0.778 16.061 4.018 1.00 0.00 C ATOM 500 O ASN A 35 -0.151 16.679 3.159 1.00 0.00 O ATOM 501 CB ASN A 35 -1.642 17.492 5.879 1.00 0.00 C ATOM 502 CG ASN A 35 -2.586 18.658 6.107 1.00 0.00 C ATOM 503 OD1 ASN A 35 -2.596 19.619 5.339 1.00 0.00 O ATOM 504 ND2 ASN A 35 -3.383 18.575 7.166 1.00 0.00 N ATOM 0 H ASN A 35 -2.657 15.018 5.801 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.516 17.302 3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.637 16.854 6.763 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.627 17.869 5.752 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.039 19.328 7.371 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.339 17.758 7.775 1.00 0.00 H new ATOM 511 N GLY A 36 -0.422 14.854 4.445 1.00 0.00 N ATOM 512 CA GLY A 36 0.752 14.192 3.905 1.00 0.00 C ATOM 513 C GLY A 36 1.656 13.639 4.989 1.00 0.00 C ATOM 514 O GLY A 36 2.869 13.841 4.955 1.00 0.00 O ATOM 0 H GLY A 36 -0.925 14.322 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.438 13.380 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.314 14.897 3.293 1.00 0.00 H new ATOM 518 N GLU A 37 1.063 12.941 5.952 1.00 0.00 N ATOM 519 CA GLU A 37 1.825 12.360 7.052 1.00 0.00 C ATOM 520 C GLU A 37 1.588 10.856 7.143 1.00 0.00 C ATOM 521 O GLU A 37 2.381 10.125 7.737 1.00 0.00 O ATOM 522 CB GLU A 37 1.443 13.028 8.374 1.00 0.00 C ATOM 523 CG GLU A 37 -0.049 13.003 8.661 1.00 0.00 C ATOM 524 CD GLU A 37 -0.366 13.239 10.124 1.00 0.00 C ATOM 525 OE1 GLU A 37 0.285 12.605 10.982 1.00 0.00 O ATOM 526 OE2 GLU A 37 -1.265 14.056 10.413 1.00 0.00 O ATOM 0 H GLU A 37 0.059 12.764 5.993 1.00 0.00 H new ATOM 0 HA GLU A 37 2.884 12.532 6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.969 12.530 9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.784 14.063 8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.544 13.765 8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.458 12.040 8.355 1.00 0.00 H new ATOM 533 N LYS A 38 0.491 10.398 6.549 1.00 0.00 N ATOM 534 CA LYS A 38 0.147 8.981 6.560 1.00 0.00 C ATOM 535 C LYS A 38 1.213 8.157 5.844 1.00 0.00 C ATOM 536 O LYS A 38 1.759 7.207 6.406 1.00 0.00 O ATOM 537 CB LYS A 38 -1.215 8.760 5.897 1.00 0.00 C ATOM 538 CG LYS A 38 -1.571 7.295 5.716 1.00 0.00 C ATOM 539 CD LYS A 38 -1.854 6.620 7.047 1.00 0.00 C ATOM 540 CE LYS A 38 -2.543 5.278 6.857 1.00 0.00 C ATOM 541 NZ LYS A 38 -4.016 5.428 6.699 1.00 0.00 N ATOM 0 H LYS A 38 -0.176 10.989 6.053 1.00 0.00 H new ATOM 0 HA LYS A 38 0.096 8.653 7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.986 9.241 6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.220 9.250 4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.445 7.209 5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.752 6.780 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.919 6.477 7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.481 7.269 7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.132 4.780 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.333 4.638 7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.465 4.490 6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.390 6.013 7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.223 5.886 5.788 1.00 0.00 H new ATOM 555 N LEU A 39 1.506 8.528 4.603 1.00 0.00 N ATOM 556 CA LEU A 39 2.508 7.825 3.810 1.00 0.00 C ATOM 557 C LEU A 39 3.819 7.695 4.580 1.00 0.00 C ATOM 558 O LEU A 39 4.428 6.626 4.610 1.00 0.00 O ATOM 559 CB LEU A 39 2.750 8.557 2.489 1.00 0.00 C ATOM 560 CG LEU A 39 4.090 8.287 1.806 1.00 0.00 C ATOM 561 CD1 LEU A 39 4.068 6.939 1.101 1.00 0.00 C ATOM 562 CD2 LEU A 39 4.423 9.399 0.824 1.00 0.00 C ATOM 0 H LEU A 39 1.064 9.312 4.124 1.00 0.00 H new ATOM 0 HA LEU A 39 2.130 6.824 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.952 8.288 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.667 9.629 2.670 1.00 0.00 H new ATOM 0 HG LEU A 39 4.866 8.262 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.031 6.764 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.877 6.151 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.280 6.935 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.381 9.189 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.645 9.458 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.483 10.348 1.356 1.00 0.00 H new ATOM 574 N GLN A 40 4.244 8.790 5.201 1.00 0.00 N ATOM 575 CA GLN A 40 5.482 8.797 5.972 1.00 0.00 C ATOM 576 C GLN A 40 5.500 7.656 6.983 1.00 0.00 C ATOM 577 O GLN A 40 6.383 6.798 6.950 1.00 0.00 O ATOM 578 CB GLN A 40 5.650 10.136 6.693 1.00 0.00 C ATOM 579 CG GLN A 40 5.480 11.343 5.784 1.00 0.00 C ATOM 580 CD GLN A 40 6.463 11.346 4.630 1.00 0.00 C ATOM 581 OE1 GLN A 40 6.085 11.566 3.479 1.00 0.00 O ATOM 582 NE2 GLN A 40 7.732 11.102 4.932 1.00 0.00 N ATOM 0 H GLN A 40 3.751 9.683 5.186 1.00 0.00 H new ATOM 0 HA GLN A 40 6.313 8.658 5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.923 10.197 7.503 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.639 10.172 7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.464 11.357 5.391 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.608 12.254 6.368 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.001 10.925 5.900 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.438 11.092 4.196 1.00 0.00 H new ATOM 591 N ASP A 41 4.520 7.651 7.880 1.00 0.00 N ATOM 592 CA ASP A 41 4.424 6.614 8.901 1.00 0.00 C ATOM 593 C ASP A 41 4.441 5.227 8.269 1.00 0.00 C ATOM 594 O ASP A 41 5.150 4.331 8.730 1.00 0.00 O ATOM 595 CB ASP A 41 3.148 6.797 9.725 1.00 0.00 C ATOM 596 CG ASP A 41 3.198 6.051 11.044 1.00 0.00 C ATOM 597 OD1 ASP A 41 4.199 6.206 11.776 1.00 0.00 O ATOM 598 OD2 ASP A 41 2.237 5.313 11.345 1.00 0.00 O ATOM 0 H ASP A 41 3.781 8.353 7.921 1.00 0.00 H new ATOM 0 HA ASP A 41 5.288 6.705 9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.992 7.859 9.917 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.292 6.449 9.146 1.00 0.00 H new ATOM 603 N LEU A 42 3.657 5.054 7.211 1.00 0.00 N ATOM 604 CA LEU A 42 3.580 3.773 6.515 1.00 0.00 C ATOM 605 C LEU A 42 4.961 3.327 6.045 1.00 0.00 C ATOM 606 O LEU A 42 5.399 2.217 6.345 1.00 0.00 O ATOM 607 CB LEU A 42 2.630 3.876 5.321 1.00 0.00 C ATOM 608 CG LEU A 42 1.163 3.548 5.601 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.311 3.822 4.371 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.014 2.100 6.044 1.00 0.00 C ATOM 0 H LEU A 42 3.065 5.784 6.816 1.00 0.00 H new ATOM 0 HA LEU A 42 3.196 3.029 7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.686 4.890 4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.988 3.207 4.538 1.00 0.00 H new ATOM 0 HG LEU A 42 0.815 4.191 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.730 3.583 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.392 4.874 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.659 3.205 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.037 1.885 6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.380 1.440 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.592 1.936 6.953 1.00 0.00 H new ATOM 622 N GLU A 43 5.641 4.200 5.308 1.00 0.00 N ATOM 623 CA GLU A 43 6.972 3.895 4.797 1.00 0.00 C ATOM 624 C GLU A 43 7.869 3.355 5.908 1.00 0.00 C ATOM 625 O GLU A 43 8.636 2.414 5.700 1.00 0.00 O ATOM 626 CB GLU A 43 7.603 5.143 4.178 1.00 0.00 C ATOM 627 CG GLU A 43 7.236 5.349 2.718 1.00 0.00 C ATOM 628 CD GLU A 43 7.799 6.638 2.152 1.00 0.00 C ATOM 629 OE1 GLU A 43 9.023 6.696 1.913 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.016 7.589 1.947 1.00 0.00 O ATOM 0 H GLU A 43 5.292 5.124 5.052 1.00 0.00 H new ATOM 0 HA GLU A 43 6.872 3.129 4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.293 6.018 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.687 5.073 4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.605 4.507 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.151 5.356 2.617 1.00 0.00 H new ATOM 637 N LEU A 44 7.769 3.959 7.087 1.00 0.00 N ATOM 638 CA LEU A 44 8.572 3.540 8.231 1.00 0.00 C ATOM 639 C LEU A 44 8.042 2.236 8.821 1.00 0.00 C ATOM 640 O LEU A 44 8.706 1.201 8.761 1.00 0.00 O ATOM 641 CB LEU A 44 8.577 4.632 9.302 1.00 0.00 C ATOM 642 CG LEU A 44 9.496 5.825 9.039 1.00 0.00 C ATOM 643 CD1 LEU A 44 9.174 6.966 9.992 1.00 0.00 C ATOM 644 CD2 LEU A 44 10.955 5.414 9.171 1.00 0.00 C ATOM 0 H LEU A 44 7.140 4.740 7.276 1.00 0.00 H new ATOM 0 HA LEU A 44 9.592 3.373 7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.559 5.002 9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.864 4.180 10.252 1.00 0.00 H new ATOM 0 HG LEU A 44 9.328 6.171 8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.838 7.807 9.790 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.139 7.278 9.849 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.314 6.632 11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.594 6.276 8.980 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.138 5.042 10.179 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.179 4.629 8.448 1.00 0.00 H new ATOM 656 N LYS A 45 6.842 2.294 9.386 1.00 0.00 N ATOM 657 CA LYS A 45 6.220 1.118 9.984 1.00 0.00 C ATOM 658 C LYS A 45 6.470 -0.122 9.131 1.00 0.00 C ATOM 659 O LYS A 45 6.775 -1.195 9.652 1.00 0.00 O ATOM 660 CB LYS A 45 4.714 1.340 10.150 1.00 0.00 C ATOM 661 CG LYS A 45 3.988 0.155 10.761 1.00 0.00 C ATOM 662 CD LYS A 45 2.480 0.327 10.689 1.00 0.00 C ATOM 663 CE LYS A 45 1.956 0.073 9.284 1.00 0.00 C ATOM 664 NZ LYS A 45 1.996 -1.373 8.931 1.00 0.00 N ATOM 0 H LYS A 45 6.280 3.143 9.443 1.00 0.00 H new ATOM 0 HA LYS A 45 6.668 0.960 10.965 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.552 2.217 10.776 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.278 1.559 9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.276 -0.758 10.239 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.292 0.038 11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.001 -0.360 11.387 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.213 1.337 11.001 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.932 0.438 9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.551 0.639 8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.423 -1.538 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.979 -1.659 8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.614 -1.933 9.719 1.00 0.00 H new ATOM 678 N THR A 46 6.338 0.033 7.817 1.00 0.00 N ATOM 679 CA THR A 46 6.550 -1.074 6.892 1.00 0.00 C ATOM 680 C THR A 46 7.992 -1.109 6.398 1.00 0.00 C ATOM 681 O THR A 46 8.467 -2.135 5.914 1.00 0.00 O ATOM 682 CB THR A 46 5.606 -0.980 5.679 1.00 0.00 C ATOM 683 OG1 THR A 46 6.016 0.089 4.820 1.00 0.00 O ATOM 684 CG2 THR A 46 4.170 -0.756 6.127 1.00 0.00 C ATOM 0 H THR A 46 6.085 0.914 7.370 1.00 0.00 H new ATOM 0 HA THR A 46 6.335 -1.991 7.441 1.00 0.00 H new ATOM 0 HB THR A 46 5.657 -1.922 5.134 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.040 0.926 5.328 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.522 -0.693 5.253 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.851 -1.587 6.756 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.106 0.173 6.694 1.00 0.00 H new ATOM 692 N ALA A 47 8.683 0.019 6.523 1.00 0.00 N ATOM 693 CA ALA A 47 10.073 0.116 6.092 1.00 0.00 C ATOM 694 C ALA A 47 10.205 -0.171 4.600 1.00 0.00 C ATOM 695 O ALA A 47 11.194 -0.756 4.156 1.00 0.00 O ATOM 696 CB ALA A 47 10.942 -0.840 6.896 1.00 0.00 C ATOM 0 H ALA A 47 8.303 0.879 6.919 1.00 0.00 H new ATOM 0 HA ALA A 47 10.414 1.136 6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.977 -0.757 6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.879 -0.586 7.954 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.593 -1.862 6.746 1.00 0.00 H new ATOM 702 N THR A 48 9.203 0.241 3.831 1.00 0.00 N ATOM 703 CA THR A 48 9.206 0.026 2.390 1.00 0.00 C ATOM 704 C THR A 48 9.349 1.345 1.638 1.00 0.00 C ATOM 705 O THR A 48 9.376 2.416 2.242 1.00 0.00 O ATOM 706 CB THR A 48 7.920 -0.682 1.924 1.00 0.00 C ATOM 707 OG1 THR A 48 6.774 0.098 2.284 1.00 0.00 O ATOM 708 CG2 THR A 48 7.811 -2.067 2.541 1.00 0.00 C ATOM 0 H THR A 48 8.378 0.726 4.183 1.00 0.00 H new ATOM 0 HA THR A 48 10.062 -0.611 2.167 1.00 0.00 H new ATOM 0 HB THR A 48 7.962 -0.787 0.840 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.632 0.044 3.252 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.895 -2.547 2.197 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.670 -2.667 2.241 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.790 -1.981 3.627 1.00 0.00 H new ATOM 716 N LYS A 49 9.437 1.259 0.314 1.00 0.00 N ATOM 717 CA LYS A 49 9.574 2.445 -0.521 1.00 0.00 C ATOM 718 C LYS A 49 8.325 2.659 -1.372 1.00 0.00 C ATOM 719 O LYS A 49 8.263 2.221 -2.521 1.00 0.00 O ATOM 720 CB LYS A 49 10.803 2.318 -1.425 1.00 0.00 C ATOM 721 CG LYS A 49 12.072 2.882 -0.809 1.00 0.00 C ATOM 722 CD LYS A 49 12.259 4.348 -1.160 1.00 0.00 C ATOM 723 CE LYS A 49 12.668 4.525 -2.614 1.00 0.00 C ATOM 724 NZ LYS A 49 13.292 5.855 -2.858 1.00 0.00 N ATOM 0 H LYS A 49 9.416 0.380 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 49 9.699 3.307 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.961 1.266 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.606 2.832 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.033 2.769 0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.932 2.311 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.331 4.889 -0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.019 4.784 -0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.370 3.738 -2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.793 4.412 -3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.556 5.936 -3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.614 6.606 -2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.142 5.953 -2.267 1.00 0.00 H new ATOM 738 N ILE A 50 7.335 3.335 -0.799 1.00 0.00 N ATOM 739 CA ILE A 50 6.089 3.607 -1.505 1.00 0.00 C ATOM 740 C ILE A 50 6.277 4.707 -2.545 1.00 0.00 C ATOM 741 O ILE A 50 6.804 5.778 -2.241 1.00 0.00 O ATOM 742 CB ILE A 50 4.970 4.022 -0.532 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.710 2.910 0.485 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.698 4.355 -1.299 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.870 3.351 1.662 1.00 0.00 C ATOM 0 H ILE A 50 7.371 3.704 0.151 1.00 0.00 H new ATOM 0 HA ILE A 50 5.800 2.682 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 50 5.290 4.914 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.211 2.080 -0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.665 2.534 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.916 4.647 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.893 5.177 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.373 3.480 -1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.726 2.511 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.377 4.161 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.900 3.700 1.307 1.00 0.00 H new ATOM 757 N GLN A 51 5.840 4.436 -3.771 1.00 0.00 N ATOM 758 CA GLN A 51 5.960 5.403 -4.855 1.00 0.00 C ATOM 759 C GLN A 51 4.605 5.664 -5.504 1.00 0.00 C ATOM 760 O GLN A 51 3.993 4.757 -6.069 1.00 0.00 O ATOM 761 CB GLN A 51 6.954 4.904 -5.905 1.00 0.00 C ATOM 762 CG GLN A 51 7.687 6.022 -6.629 1.00 0.00 C ATOM 763 CD GLN A 51 8.601 5.508 -7.725 1.00 0.00 C ATOM 764 OE1 GLN A 51 9.819 5.449 -7.556 1.00 0.00 O ATOM 765 NE2 GLN A 51 8.015 5.130 -8.855 1.00 0.00 N ATOM 0 H GLN A 51 5.400 3.555 -4.038 1.00 0.00 H new ATOM 0 HA GLN A 51 6.327 6.339 -4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.685 4.255 -5.422 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.422 4.296 -6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.959 6.708 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.274 6.592 -5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.002 5.196 -8.951 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.578 4.773 -9.627 1.00 0.00 H new ATOM 774 N ILE A 52 4.142 6.906 -5.418 1.00 0.00 N ATOM 775 CA ILE A 52 2.859 7.285 -5.998 1.00 0.00 C ATOM 776 C ILE A 52 3.051 8.174 -7.221 1.00 0.00 C ATOM 777 O ILE A 52 3.785 9.162 -7.193 1.00 0.00 O ATOM 778 CB ILE A 52 1.975 8.022 -4.975 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.740 7.143 -3.744 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.651 8.420 -5.609 1.00 0.00 C ATOM 781 CD1 ILE A 52 1.242 7.911 -2.539 1.00 0.00 C ATOM 0 H ILE A 52 4.636 7.667 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 52 2.362 6.362 -6.297 1.00 0.00 H new ATOM 0 HB ILE A 52 2.490 8.928 -4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.017 6.367 -3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.671 6.639 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.037 8.940 -4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.837 9.079 -6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.128 7.527 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.098 7.225 -1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.975 8.669 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.295 8.393 -2.781 1.00 0.00 H new ATOM 793 N PRO A 53 2.373 7.819 -8.323 1.00 0.00 N ATOM 794 CA PRO A 53 2.450 8.573 -9.578 1.00 0.00 C ATOM 795 C PRO A 53 1.768 9.934 -9.479 1.00 0.00 C ATOM 796 O PRO A 53 0.714 10.067 -8.856 1.00 0.00 O ATOM 797 CB PRO A 53 1.712 7.677 -10.575 1.00 0.00 C ATOM 798 CG PRO A 53 0.779 6.869 -9.741 1.00 0.00 C ATOM 799 CD PRO A 53 1.478 6.654 -8.428 1.00 0.00 C ATOM 0 HA PRO A 53 3.480 8.791 -9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.171 8.269 -11.314 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.406 7.040 -11.123 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.168 7.390 -9.598 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.550 5.918 -10.222 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.772 6.614 -7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.035 5.717 -8.418 1.00 0.00 H new ATOM 807 N ARG A 54 2.377 10.942 -10.096 1.00 0.00 N ATOM 808 CA ARG A 54 1.829 12.293 -10.076 1.00 0.00 C ATOM 809 C ARG A 54 0.305 12.262 -10.149 1.00 0.00 C ATOM 810 O ARG A 54 -0.299 11.309 -10.644 1.00 0.00 O ATOM 811 CB ARG A 54 2.390 13.110 -11.240 1.00 0.00 C ATOM 812 CG ARG A 54 3.853 13.487 -11.071 1.00 0.00 C ATOM 813 CD ARG A 54 4.773 12.430 -11.661 1.00 0.00 C ATOM 814 NE ARG A 54 6.072 12.983 -12.035 1.00 0.00 N ATOM 815 CZ ARG A 54 6.869 12.435 -12.947 1.00 0.00 C ATOM 816 NH1 ARG A 54 6.500 11.327 -13.575 1.00 0.00 N ATOM 817 NH2 ARG A 54 8.036 12.997 -13.234 1.00 0.00 N ATOM 0 H ARG A 54 3.250 10.848 -10.616 1.00 0.00 H new ATOM 0 HA ARG A 54 2.121 12.764 -9.137 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.275 12.540 -12.162 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.800 14.020 -11.352 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.041 14.445 -11.555 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.077 13.615 -10.012 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.915 11.628 -10.937 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.301 11.987 -12.538 1.00 0.00 H new ATOM 0 HE ARG A 54 6.385 13.836 -11.571 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.603 10.893 -13.359 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.114 10.909 -14.274 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.323 13.851 -12.755 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.647 12.576 -13.934 1.00 0.00 H new ATOM 831 N PRO A 55 -0.333 13.329 -9.646 1.00 0.00 N ATOM 832 CA PRO A 55 -1.794 13.448 -9.643 1.00 0.00 C ATOM 833 C PRO A 55 -2.362 13.647 -11.045 1.00 0.00 C ATOM 834 O PRO A 55 -3.565 13.504 -11.263 1.00 0.00 O ATOM 835 CB PRO A 55 -2.047 14.690 -8.784 1.00 0.00 C ATOM 836 CG PRO A 55 -0.798 15.495 -8.904 1.00 0.00 C ATOM 837 CD PRO A 55 0.322 14.501 -9.042 1.00 0.00 C ATOM 0 HA PRO A 55 -2.275 12.546 -9.266 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.913 15.248 -9.140 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.246 14.420 -7.747 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.842 16.157 -9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.654 16.126 -8.027 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.123 14.884 -9.674 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.766 14.260 -8.076 1.00 0.00 H new ATOM 845 N ASP A 56 -1.490 13.976 -11.991 1.00 0.00 N ATOM 846 CA ASP A 56 -1.904 14.192 -13.372 1.00 0.00 C ATOM 847 C ASP A 56 -1.696 12.932 -14.205 1.00 0.00 C ATOM 848 O ASP A 56 -2.381 12.717 -15.206 1.00 0.00 O ATOM 849 CB ASP A 56 -1.126 15.358 -13.984 1.00 0.00 C ATOM 850 CG ASP A 56 -1.053 15.274 -15.496 1.00 0.00 C ATOM 851 OD1 ASP A 56 -2.090 15.505 -16.154 1.00 0.00 O ATOM 852 OD2 ASP A 56 0.040 14.978 -16.022 1.00 0.00 O ATOM 0 H ASP A 56 -0.491 14.099 -11.827 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.967 14.435 -13.373 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.599 16.297 -13.697 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.116 15.372 -13.574 1.00 0.00 H new ATOM 857 N ASP A 57 -0.746 12.103 -13.788 1.00 0.00 N ATOM 858 CA ASP A 57 -0.447 10.864 -14.495 1.00 0.00 C ATOM 859 C ASP A 57 -1.618 9.891 -14.408 1.00 0.00 C ATOM 860 O ASP A 57 -2.267 9.754 -13.370 1.00 0.00 O ATOM 861 CB ASP A 57 0.814 10.216 -13.922 1.00 0.00 C ATOM 862 CG ASP A 57 1.412 9.184 -14.859 1.00 0.00 C ATOM 863 OD1 ASP A 57 0.971 8.016 -14.815 1.00 0.00 O ATOM 864 OD2 ASP A 57 2.320 9.546 -15.637 1.00 0.00 O ATOM 0 H ASP A 57 -0.169 12.267 -12.963 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.277 11.106 -15.544 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.555 10.989 -13.717 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.575 9.743 -12.970 1.00 0.00 H new ATOM 869 N PRO A 58 -1.900 9.200 -15.522 1.00 0.00 N ATOM 870 CA PRO A 58 -2.995 8.229 -15.596 1.00 0.00 C ATOM 871 C PRO A 58 -2.716 6.976 -14.773 1.00 0.00 C ATOM 872 O PRO A 58 -3.508 6.034 -14.770 1.00 0.00 O ATOM 873 CB PRO A 58 -3.064 7.884 -17.086 1.00 0.00 C ATOM 874 CG PRO A 58 -1.692 8.156 -17.601 1.00 0.00 C ATOM 875 CD PRO A 58 -1.169 9.312 -16.796 1.00 0.00 C ATOM 0 HA PRO A 58 -3.924 8.633 -15.194 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.345 6.842 -17.239 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.808 8.493 -17.600 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.052 7.281 -17.488 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.715 8.399 -18.663 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.091 9.244 -16.648 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.363 10.265 -17.288 1.00 0.00 H new ATOM 883 N SER A 59 -1.586 6.973 -14.073 1.00 0.00 N ATOM 884 CA SER A 59 -1.202 5.835 -13.247 1.00 0.00 C ATOM 885 C SER A 59 -1.884 5.897 -11.884 1.00 0.00 C ATOM 886 O SER A 59 -1.760 6.884 -11.161 1.00 0.00 O ATOM 887 CB SER A 59 0.317 5.797 -13.069 1.00 0.00 C ATOM 888 OG SER A 59 0.733 4.573 -12.490 1.00 0.00 O ATOM 0 H SER A 59 -0.921 7.746 -14.062 1.00 0.00 H new ATOM 0 HA SER A 59 -1.525 4.925 -13.753 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.803 5.929 -14.036 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.633 6.627 -12.438 1.00 0.00 H new ATOM 0 HG SER A 59 1.708 4.574 -12.389 1.00 0.00 H new ATOM 894 N ASN A 60 -2.604 4.834 -11.541 1.00 0.00 N ATOM 895 CA ASN A 60 -3.307 4.767 -10.265 1.00 0.00 C ATOM 896 C ASN A 60 -2.871 3.542 -9.468 1.00 0.00 C ATOM 897 O ASN A 60 -3.557 3.119 -8.537 1.00 0.00 O ATOM 898 CB ASN A 60 -4.820 4.728 -10.495 1.00 0.00 C ATOM 899 CG ASN A 60 -5.269 3.450 -11.175 1.00 0.00 C ATOM 900 OD1 ASN A 60 -4.774 3.098 -12.246 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.210 2.748 -10.555 1.00 0.00 N ATOM 0 H ASN A 60 -2.716 4.008 -12.128 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.056 5.660 -9.692 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.333 4.827 -9.538 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.114 5.583 -11.104 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.551 1.879 -10.965 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.592 3.078 -9.669 1.00 0.00 H new ATOM 908 N GLN A 61 -1.725 2.979 -9.837 1.00 0.00 N ATOM 909 CA GLN A 61 -1.197 1.803 -9.156 1.00 0.00 C ATOM 910 C GLN A 61 0.028 2.162 -8.322 1.00 0.00 C ATOM 911 O GLN A 61 1.050 2.593 -8.856 1.00 0.00 O ATOM 912 CB GLN A 61 -0.837 0.718 -10.171 1.00 0.00 C ATOM 913 CG GLN A 61 0.085 1.203 -11.279 1.00 0.00 C ATOM 914 CD GLN A 61 0.467 0.099 -12.244 1.00 0.00 C ATOM 915 OE1 GLN A 61 1.631 -0.034 -12.626 1.00 0.00 O ATOM 916 NE2 GLN A 61 -0.512 -0.702 -12.646 1.00 0.00 N ATOM 0 H GLN A 61 -1.144 3.318 -10.604 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.970 1.423 -8.488 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.360 -0.112 -9.650 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.753 0.330 -10.616 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.405 2.007 -11.828 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.989 1.623 -10.837 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.462 -0.557 -12.305 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.314 -1.463 -13.296 1.00 0.00 H new ATOM 925 N ILE A 62 -0.082 1.981 -7.010 1.00 0.00 N ATOM 926 CA ILE A 62 1.017 2.285 -6.102 1.00 0.00 C ATOM 927 C ILE A 62 2.096 1.210 -6.166 1.00 0.00 C ATOM 928 O ILE A 62 1.808 0.039 -6.418 1.00 0.00 O ATOM 929 CB ILE A 62 0.526 2.419 -4.648 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.172 3.764 -4.444 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.691 2.267 -3.681 1.00 0.00 C ATOM 932 CD1 ILE A 62 -0.728 3.952 -3.050 1.00 0.00 C ATOM 0 H ILE A 62 -0.921 1.625 -6.552 1.00 0.00 H new ATOM 0 HA ILE A 62 1.438 3.238 -6.423 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.193 1.625 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.535 4.566 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.984 3.856 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.329 2.364 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.148 1.286 -3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.432 3.042 -3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.209 4.928 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.459 3.171 -2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.083 3.893 -2.324 1.00 0.00 H new ATOM 944 N LYS A 63 3.341 1.613 -5.935 1.00 0.00 N ATOM 945 CA LYS A 63 4.464 0.685 -5.962 1.00 0.00 C ATOM 946 C LYS A 63 5.051 0.499 -4.566 1.00 0.00 C ATOM 947 O LYS A 63 5.291 1.471 -3.849 1.00 0.00 O ATOM 948 CB LYS A 63 5.547 1.191 -6.918 1.00 0.00 C ATOM 949 CG LYS A 63 6.844 0.404 -6.839 1.00 0.00 C ATOM 950 CD LYS A 63 7.906 0.986 -7.758 1.00 0.00 C ATOM 951 CE LYS A 63 7.832 0.376 -9.150 1.00 0.00 C ATOM 952 NZ LYS A 63 6.652 0.871 -9.910 1.00 0.00 N ATOM 0 H LYS A 63 3.597 2.578 -5.727 1.00 0.00 H new ATOM 0 HA LYS A 63 4.097 -0.279 -6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.167 1.148 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.753 2.238 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.210 0.405 -5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.657 -0.635 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.778 2.066 -7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.894 0.808 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.743 0.613 -9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.782 -0.710 -9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.859 0.844 -10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.830 0.266 -9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.441 1.849 -9.625 1.00 0.00 H new ATOM 966 N ILE A 64 5.280 -0.754 -4.188 1.00 0.00 N ATOM 967 CA ILE A 64 5.840 -1.067 -2.880 1.00 0.00 C ATOM 968 C ILE A 64 7.069 -1.961 -3.007 1.00 0.00 C ATOM 969 O ILE A 64 7.003 -3.050 -3.578 1.00 0.00 O ATOM 970 CB ILE A 64 4.805 -1.761 -1.975 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.785 -2.524 -2.823 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.109 -0.741 -1.087 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.787 -3.311 -2.003 1.00 0.00 C ATOM 0 H ILE A 64 5.086 -1.569 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 64 6.129 -0.119 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 64 5.323 -2.475 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.247 -1.816 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.315 -3.206 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.381 -1.247 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.847 -0.239 -0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.600 -0.005 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.095 -3.826 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.315 -4.043 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.231 -2.632 -1.357 1.00 0.00 H new ATOM 985 N THR A 65 8.192 -1.495 -2.470 1.00 0.00 N ATOM 986 CA THR A 65 9.436 -2.251 -2.522 1.00 0.00 C ATOM 987 C THR A 65 10.063 -2.377 -1.137 1.00 0.00 C ATOM 988 O THR A 65 10.069 -1.423 -0.359 1.00 0.00 O ATOM 989 CB THR A 65 10.454 -1.596 -3.475 1.00 0.00 C ATOM 990 OG1 THR A 65 9.862 -1.406 -4.766 1.00 0.00 O ATOM 991 CG2 THR A 65 11.702 -2.453 -3.606 1.00 0.00 C ATOM 0 H THR A 65 8.265 -0.596 -1.993 1.00 0.00 H new ATOM 0 HA THR A 65 9.185 -3.243 -2.896 1.00 0.00 H new ATOM 0 HB THR A 65 10.739 -0.630 -3.059 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.514 -0.988 -5.366 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.406 -1.970 -4.284 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.165 -2.573 -2.627 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.431 -3.432 -4.002 1.00 0.00 H new ATOM 999 N GLY A 66 10.591 -3.559 -0.837 1.00 0.00 N ATOM 1000 CA GLY A 66 11.214 -3.786 0.454 1.00 0.00 C ATOM 1001 C GLY A 66 11.249 -5.254 0.831 1.00 0.00 C ATOM 1002 O GLY A 66 11.282 -6.125 -0.038 1.00 0.00 O ATOM 0 H GLY A 66 10.599 -4.363 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.231 -3.394 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.671 -3.231 1.219 1.00 0.00 H new ATOM 1006 N THR A 67 11.244 -5.530 2.132 1.00 0.00 N ATOM 1007 CA THR A 67 11.278 -6.902 2.622 1.00 0.00 C ATOM 1008 C THR A 67 9.894 -7.538 2.574 1.00 0.00 C ATOM 1009 O THR A 67 8.883 -6.866 2.779 1.00 0.00 O ATOM 1010 CB THR A 67 11.812 -6.970 4.065 1.00 0.00 C ATOM 1011 OG1 THR A 67 10.918 -6.286 4.951 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.198 -6.350 4.159 1.00 0.00 C ATOM 0 H THR A 67 11.217 -4.821 2.865 1.00 0.00 H new ATOM 0 HA THR A 67 11.951 -7.455 1.967 1.00 0.00 H new ATOM 0 HB THR A 67 11.879 -8.019 4.355 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.264 -6.335 5.867 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.554 -6.410 5.187 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.883 -6.890 3.506 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.151 -5.305 3.851 1.00 0.00 H new ATOM 1020 N LYS A 68 9.854 -8.838 2.302 1.00 0.00 N ATOM 1021 CA LYS A 68 8.593 -9.567 2.229 1.00 0.00 C ATOM 1022 C LYS A 68 7.626 -9.088 3.306 1.00 0.00 C ATOM 1023 O LYS A 68 6.420 -9.001 3.075 1.00 0.00 O ATOM 1024 CB LYS A 68 8.839 -11.069 2.380 1.00 0.00 C ATOM 1025 CG LYS A 68 7.810 -11.929 1.668 1.00 0.00 C ATOM 1026 CD LYS A 68 8.401 -13.258 1.227 1.00 0.00 C ATOM 1027 CE LYS A 68 8.998 -13.166 -0.169 1.00 0.00 C ATOM 1028 NZ LYS A 68 7.960 -13.305 -1.227 1.00 0.00 N ATOM 0 H LYS A 68 10.681 -9.409 2.128 1.00 0.00 H new ATOM 0 HA LYS A 68 8.147 -9.375 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.830 -11.307 1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.842 -11.323 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.964 -12.109 2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.427 -11.394 0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.171 -13.567 1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.627 -14.025 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.507 -12.209 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.750 -13.945 -0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.407 -13.237 -2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.491 -14.229 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.255 -12.547 -1.124 1.00 0.00 H new ATOM 1042 N GLU A 69 8.162 -8.780 4.483 1.00 0.00 N ATOM 1043 CA GLU A 69 7.345 -8.310 5.595 1.00 0.00 C ATOM 1044 C GLU A 69 6.918 -6.860 5.383 1.00 0.00 C ATOM 1045 O GLU A 69 5.762 -6.502 5.604 1.00 0.00 O ATOM 1046 CB GLU A 69 8.113 -8.439 6.912 1.00 0.00 C ATOM 1047 CG GLU A 69 8.375 -9.877 7.324 1.00 0.00 C ATOM 1048 CD GLU A 69 9.501 -10.515 6.533 1.00 0.00 C ATOM 1049 OE1 GLU A 69 10.642 -10.015 6.615 1.00 0.00 O ATOM 1050 OE2 GLU A 69 9.240 -11.515 5.831 1.00 0.00 O ATOM 0 H GLU A 69 9.158 -8.848 4.691 1.00 0.00 H new ATOM 0 HA GLU A 69 6.450 -8.931 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.065 -7.917 6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.551 -7.940 7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.619 -9.908 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.465 -10.461 7.189 1.00 0.00 H new ATOM 1057 N GLY A 70 7.862 -6.028 4.952 1.00 0.00 N ATOM 1058 CA GLY A 70 7.567 -4.627 4.718 1.00 0.00 C ATOM 1059 C GLY A 70 6.482 -4.431 3.677 1.00 0.00 C ATOM 1060 O GLY A 70 5.446 -3.828 3.956 1.00 0.00 O ATOM 0 H GLY A 70 8.826 -6.300 4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.257 -4.163 5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.474 -4.117 4.394 1.00 0.00 H new ATOM 1064 N ILE A 71 6.723 -4.937 2.472 1.00 0.00 N ATOM 1065 CA ILE A 71 5.759 -4.813 1.386 1.00 0.00 C ATOM 1066 C ILE A 71 4.402 -5.383 1.786 1.00 0.00 C ATOM 1067 O ILE A 71 3.363 -4.773 1.535 1.00 0.00 O ATOM 1068 CB ILE A 71 6.249 -5.529 0.113 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.598 -4.961 -0.331 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.220 -5.396 -0.999 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.284 -5.791 -1.393 1.00 0.00 C ATOM 0 H ILE A 71 7.577 -5.436 2.224 1.00 0.00 H new ATOM 0 HA ILE A 71 5.655 -3.748 1.177 1.00 0.00 H new ATOM 0 HB ILE A 71 6.378 -6.588 0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.450 -3.950 -0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.253 -4.883 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.581 -5.907 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.279 -5.844 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.062 -4.341 -1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.234 -5.328 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.464 -6.795 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.649 -5.848 -2.277 1.00 0.00 H new ATOM 1083 N GLU A 72 4.421 -6.556 2.410 1.00 0.00 N ATOM 1084 CA GLU A 72 3.191 -7.208 2.847 1.00 0.00 C ATOM 1085 C GLU A 72 2.390 -6.296 3.771 1.00 0.00 C ATOM 1086 O GLU A 72 1.192 -6.091 3.574 1.00 0.00 O ATOM 1087 CB GLU A 72 3.511 -8.523 3.561 1.00 0.00 C ATOM 1088 CG GLU A 72 3.607 -9.716 2.626 1.00 0.00 C ATOM 1089 CD GLU A 72 3.538 -11.040 3.362 1.00 0.00 C ATOM 1090 OE1 GLU A 72 2.471 -11.344 3.936 1.00 0.00 O ATOM 1091 OE2 GLU A 72 4.550 -11.773 3.362 1.00 0.00 O ATOM 0 H GLU A 72 5.273 -7.074 2.624 1.00 0.00 H new ATOM 0 HA GLU A 72 2.589 -7.420 1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.454 -8.415 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.741 -8.718 4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.799 -9.667 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.542 -9.662 2.069 1.00 0.00 H new ATOM 1098 N LYS A 73 3.060 -5.751 4.781 1.00 0.00 N ATOM 1099 CA LYS A 73 2.413 -4.859 5.736 1.00 0.00 C ATOM 1100 C LYS A 73 1.737 -3.693 5.022 1.00 0.00 C ATOM 1101 O LYS A 73 0.553 -3.432 5.224 1.00 0.00 O ATOM 1102 CB LYS A 73 3.436 -4.330 6.744 1.00 0.00 C ATOM 1103 CG LYS A 73 3.796 -5.330 7.828 1.00 0.00 C ATOM 1104 CD LYS A 73 5.196 -5.087 8.369 1.00 0.00 C ATOM 1105 CE LYS A 73 5.262 -3.807 9.188 1.00 0.00 C ATOM 1106 NZ LYS A 73 4.483 -3.918 10.453 1.00 0.00 N ATOM 0 H LYS A 73 4.051 -5.912 4.959 1.00 0.00 H new ATOM 0 HA LYS A 73 1.649 -5.428 6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.343 -4.042 6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.040 -3.428 7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.074 -5.262 8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.730 -6.342 7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.500 -5.932 8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.902 -5.027 7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.302 -3.578 9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.877 -2.977 8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.763 -3.154 11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.467 -3.840 10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.674 -4.838 10.899 1.00 0.00 H new ATOM 1120 N ALA A 74 2.498 -2.997 4.184 1.00 0.00 N ATOM 1121 CA ALA A 74 1.972 -1.862 3.437 1.00 0.00 C ATOM 1122 C ALA A 74 0.868 -2.299 2.480 1.00 0.00 C ATOM 1123 O ALA A 74 -0.112 -1.581 2.279 1.00 0.00 O ATOM 1124 CB ALA A 74 3.090 -1.169 2.672 1.00 0.00 C ATOM 0 H ALA A 74 3.482 -3.200 4.006 1.00 0.00 H new ATOM 0 HA ALA A 74 1.543 -1.158 4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.682 -0.323 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.845 -0.814 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.545 -1.873 1.975 1.00 0.00 H new ATOM 1130 N ARG A 75 1.033 -3.480 1.892 1.00 0.00 N ATOM 1131 CA ARG A 75 0.050 -4.011 0.955 1.00 0.00 C ATOM 1132 C ARG A 75 -1.238 -4.395 1.677 1.00 0.00 C ATOM 1133 O ARG A 75 -2.332 -4.260 1.129 1.00 0.00 O ATOM 1134 CB ARG A 75 0.619 -5.228 0.222 1.00 0.00 C ATOM 1135 CG ARG A 75 0.062 -5.409 -1.180 1.00 0.00 C ATOM 1136 CD ARG A 75 0.811 -6.493 -1.941 1.00 0.00 C ATOM 1137 NE ARG A 75 0.443 -6.523 -3.354 1.00 0.00 N ATOM 1138 CZ ARG A 75 0.915 -7.416 -4.217 1.00 0.00 C ATOM 1139 NH1 ARG A 75 1.768 -8.346 -3.813 1.00 0.00 N ATOM 1140 NH2 ARG A 75 0.533 -7.378 -5.487 1.00 0.00 N ATOM 0 H ARG A 75 1.838 -4.087 2.048 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.180 -3.232 0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.703 -5.132 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.409 -6.124 0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.995 -5.668 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.130 -4.467 -1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.884 -6.325 -1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.601 -7.463 -1.491 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.212 -5.820 -3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.064 -8.378 -2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.129 -9.030 -4.478 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.123 -6.663 -5.801 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.896 -8.064 -6.149 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.099 -4.873 2.910 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.252 -5.276 3.707 1.00 0.00 C ATOM 1156 C HIS A 76 -3.003 -4.056 4.231 1.00 0.00 C ATOM 1157 O HIS A 76 -4.205 -4.118 4.485 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.807 -6.157 4.875 1.00 0.00 C ATOM 1159 CG HIS A 76 -2.922 -6.951 5.484 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.335 -8.170 4.988 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.708 -6.697 6.555 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.330 -8.629 5.727 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.575 -7.754 6.685 1.00 0.00 N ATOM 0 H HIS A 76 -0.200 -4.990 3.378 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.925 -5.847 3.067 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.032 -6.841 4.529 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.358 -5.528 5.644 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.662 -5.825 7.190 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.854 -9.561 5.573 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.292 -7.848 7.405 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.285 -2.949 4.393 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.885 -1.716 4.889 1.00 0.00 C ATOM 1173 C GLU A 77 -3.506 -0.916 3.747 1.00 0.00 C ATOM 1174 O GLU A 77 -4.637 -0.440 3.851 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.836 -0.866 5.609 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.334 -1.487 6.902 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.405 -1.549 7.975 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -2.667 -0.508 8.611 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -2.980 -2.639 8.177 1.00 0.00 O ATOM 0 H GLU A 77 -1.288 -2.881 4.188 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.672 -1.983 5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.990 -0.705 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.261 0.114 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.970 -2.494 6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.487 -0.910 7.273 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.758 -0.771 2.658 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.234 -0.029 1.497 1.00 0.00 C ATOM 1188 C VAL A 78 -4.466 -0.691 0.889 1.00 0.00 C ATOM 1189 O VAL A 78 -5.312 -0.024 0.293 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.142 0.085 0.417 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -1.909 -1.260 -0.253 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.516 1.143 -0.610 1.00 0.00 C ATOM 0 H VAL A 78 -1.820 -1.158 2.556 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.496 0.970 1.846 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.212 0.390 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.134 -1.159 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.592 -1.988 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.834 -1.599 -0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.733 1.210 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.458 0.871 -1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.626 2.108 -0.115 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.561 -2.007 1.044 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.689 -2.761 0.511 1.00 0.00 C ATOM 1204 C LEU A 79 -6.890 -2.679 1.448 1.00 0.00 C ATOM 1205 O LEU A 79 -8.034 -2.580 1.002 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.296 -4.223 0.295 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.648 -4.553 -1.050 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -4.074 -5.961 -1.036 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.656 -4.397 -2.180 1.00 0.00 C ATOM 0 H LEU A 79 -3.870 -2.574 1.535 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.967 -2.321 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.607 -4.514 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.189 -4.838 0.406 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.831 -3.852 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.617 -6.177 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.320 -6.039 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.873 -6.678 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.178 -4.636 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.494 -5.074 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.019 -3.369 -2.205 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.622 -2.718 2.749 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.680 -2.646 3.751 1.00 0.00 C ATOM 1223 C LEU A 80 -8.406 -1.306 3.680 1.00 0.00 C ATOM 1224 O LEU A 80 -9.634 -1.250 3.755 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.099 -2.852 5.151 1.00 0.00 C ATOM 1226 CG LEU A 80 -7.003 -4.299 5.632 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.194 -4.382 6.917 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.391 -4.888 5.835 1.00 0.00 C ATOM 0 H LEU A 80 -5.681 -2.799 3.135 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.399 -3.439 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.101 -2.415 5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.709 -2.294 5.861 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.492 -4.882 4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.136 -5.420 7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.188 -4.001 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.677 -3.784 7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.302 -5.919 6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.929 -4.303 6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.938 -4.865 4.892 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.640 -0.231 3.534 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.211 1.107 3.450 1.00 0.00 C ATOM 1242 C ILE A 81 -9.027 1.278 2.173 1.00 0.00 C ATOM 1243 O ILE A 81 -10.187 1.690 2.216 1.00 0.00 O ATOM 1244 CB ILE A 81 -7.116 2.190 3.493 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.367 2.135 4.827 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.725 3.568 3.279 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.945 2.643 4.742 1.00 0.00 C ATOM 0 H ILE A 81 -6.622 -0.260 3.471 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.864 1.226 4.315 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.405 1.999 2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.911 2.724 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.356 1.106 5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.939 4.322 3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.219 3.601 2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.454 3.769 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.475 2.575 5.723 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.385 2.039 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.949 3.682 4.413 1.00 0.00 H new ATOM 1259 N SER A 82 -8.415 0.957 1.039 1.00 0.00 N ATOM 1260 CA SER A 82 -9.084 1.075 -0.251 1.00 0.00 C ATOM 1261 C SER A 82 -10.366 0.247 -0.277 1.00 0.00 C ATOM 1262 O SER A 82 -11.415 0.720 -0.712 1.00 0.00 O ATOM 1263 CB SER A 82 -8.151 0.626 -1.377 1.00 0.00 C ATOM 1264 OG SER A 82 -7.652 -0.677 -1.136 1.00 0.00 O ATOM 0 H SER A 82 -7.456 0.613 0.987 1.00 0.00 H new ATOM 0 HA SER A 82 -9.345 2.122 -0.401 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.687 0.644 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.320 1.326 -1.466 1.00 0.00 H new ATOM 0 HG SER A 82 -6.886 -0.626 -0.527 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.271 -0.992 0.193 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.422 -1.887 0.226 1.00 0.00 C ATOM 1272 C ALA A 83 -12.571 -1.274 1.021 1.00 0.00 C ATOM 1273 O ALA A 83 -13.681 -1.130 0.510 1.00 0.00 O ATOM 1274 CB ALA A 83 -11.028 -3.232 0.817 1.00 0.00 C ATOM 0 H ALA A 83 -9.409 -1.399 0.556 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.763 -2.038 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.897 -3.890 0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.245 -3.682 0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.659 -3.089 1.833 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.295 -0.916 2.271 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.307 -0.321 3.135 1.00 0.00 C ATOM 1282 C GLU A 84 -14.112 0.734 2.383 1.00 0.00 C ATOM 1283 O GLU A 84 -15.339 0.772 2.471 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.652 0.304 4.369 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.418 -0.682 5.500 1.00 0.00 C ATOM 1286 CD GLU A 84 -13.626 -0.827 6.406 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.742 -1.018 5.881 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -13.452 -0.750 7.640 1.00 0.00 O ATOM 0 H GLU A 84 -11.380 -1.028 2.707 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.986 -1.111 3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.698 0.745 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.281 1.117 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.163 -1.656 5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.562 -0.355 6.091 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.412 1.589 1.643 1.00 0.00 N ATOM 1296 CA GLN A 85 -14.062 2.645 0.877 1.00 0.00 C ATOM 1297 C GLN A 85 -15.206 2.084 0.038 1.00 0.00 C ATOM 1298 O GLN A 85 -16.330 2.584 0.091 1.00 0.00 O ATOM 1299 CB GLN A 85 -13.046 3.346 -0.027 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.925 4.033 0.735 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.436 4.905 1.865 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.580 5.359 1.845 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.589 5.140 2.860 1.00 0.00 N ATOM 0 H GLN A 85 -12.396 1.570 1.558 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.473 3.369 1.580 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.614 2.614 -0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.565 4.085 -0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.251 3.278 1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.343 4.644 0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.650 4.743 2.835 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.878 5.718 3.650 1.00 0.00 H new