USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 420 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 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 59 HIS : no HD1:sc= 0.0577 X(o=0.12,f=-0.22) USER MOD Set 1.3: A 63 SER OG : rot 149:sc= 0.0576 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -19.1! C(o=-19!,f=-8.4!) USER MOD Single : A 24 MET CE :methyl 165:sc=-0.00419 (180deg=-0.124) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 31 TYR OH : rot -86:sc= -0.611 USER MOD Single : A 41 GLN : amide:sc= 0.656 K(o=0.66,f=-5.3!) USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= -0.106 (180deg=-0.56) USER MOD Single : A 46 THR OG1 : rot -42:sc= -2.88! USER MOD Single : A 48 MET CE :methyl -144:sc= -0.0297 (180deg=-0.305) USER MOD Single : A 52 MET CE :methyl 177:sc= 0 (180deg=-0.0098) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -101:sc= -0.128 (180deg=-1.48!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 215 N PRO A 18 12.446 -5.565 -3.491 1.00 0.00 N ATOM 216 CA PRO A 18 11.634 -4.577 -4.209 1.00 0.00 C ATOM 217 C PRO A 18 10.434 -4.108 -3.389 1.00 0.00 C ATOM 218 O PRO A 18 10.063 -4.738 -2.400 1.00 0.00 O ATOM 219 CB PRO A 18 11.167 -5.337 -5.452 1.00 0.00 C ATOM 220 CG PRO A 18 12.200 -6.389 -5.663 1.00 0.00 C ATOM 221 CD PRO A 18 12.678 -6.780 -4.292 1.00 0.00 C ATOM 0 HA PRO A 18 12.198 -3.671 -4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.181 -5.775 -5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.093 -4.676 -6.316 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.782 -7.247 -6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.023 -6.012 -6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.122 -7.632 -3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.731 -7.062 -4.299 1.00 0.00 H new ATOM 229 N PRO A 19 9.810 -2.988 -3.794 1.00 0.00 N ATOM 230 CA PRO A 19 8.645 -2.435 -3.095 1.00 0.00 C ATOM 231 C PRO A 19 7.469 -3.404 -3.073 1.00 0.00 C ATOM 232 O PRO A 19 6.661 -3.395 -2.145 1.00 0.00 O ATOM 233 CB PRO A 19 8.292 -1.181 -3.906 1.00 0.00 C ATOM 234 CG PRO A 19 8.944 -1.378 -5.231 1.00 0.00 C ATOM 235 CD PRO A 19 10.186 -2.178 -4.964 1.00 0.00 C ATOM 0 HA PRO A 19 8.864 -2.228 -2.048 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.213 -1.070 -4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.659 -0.279 -3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.281 -1.904 -5.918 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.188 -0.421 -5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.456 -2.801 -5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.042 -1.537 -4.753 1.00 0.00 H new ATOM 243 N GLU A 20 7.378 -4.240 -4.102 1.00 0.00 N ATOM 244 CA GLU A 20 6.301 -5.218 -4.202 1.00 0.00 C ATOM 245 C GLU A 20 6.377 -6.232 -3.065 1.00 0.00 C ATOM 246 O GLU A 20 5.349 -6.725 -2.584 1.00 0.00 O ATOM 247 CB GLU A 20 6.361 -5.939 -5.550 1.00 0.00 C ATOM 248 CG GLU A 20 7.732 -6.507 -5.874 1.00 0.00 C ATOM 249 CD GLU A 20 7.658 -7.754 -6.734 1.00 0.00 C ATOM 250 OE1 GLU A 20 6.779 -7.813 -7.619 1.00 0.00 O ATOM 251 OE2 GLU A 20 8.479 -8.670 -6.523 1.00 0.00 O ATOM 0 H GLU A 20 8.038 -4.260 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 20 5.353 -4.685 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.631 -6.749 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.069 -5.244 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.323 -5.749 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.253 -6.741 -4.946 1.00 0.00 H new ATOM 258 N THR A 21 7.600 -6.539 -2.634 1.00 0.00 N ATOM 259 CA THR A 21 7.795 -7.496 -1.554 1.00 0.00 C ATOM 260 C THR A 21 7.165 -6.969 -0.281 1.00 0.00 C ATOM 261 O THR A 21 6.390 -7.663 0.377 1.00 0.00 O ATOM 262 CB THR A 21 9.286 -7.762 -1.338 1.00 0.00 C ATOM 263 OG1 THR A 21 9.859 -8.362 -2.486 1.00 0.00 O ATOM 264 CG2 THR A 21 9.573 -8.666 -0.157 1.00 0.00 C ATOM 0 H THR A 21 8.460 -6.142 -3.013 1.00 0.00 H new ATOM 0 HA THR A 21 7.315 -8.436 -1.825 1.00 0.00 H new ATOM 0 HB THR A 21 9.725 -6.784 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.813 -8.523 -2.329 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.649 -8.812 -0.063 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.188 -8.208 0.754 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.089 -9.630 -0.311 1.00 0.00 H new ATOM 272 N GLN A 22 7.457 -5.720 0.031 1.00 0.00 N ATOM 273 CA GLN A 22 6.862 -5.089 1.195 1.00 0.00 C ATOM 274 C GLN A 22 5.394 -4.880 0.928 1.00 0.00 C ATOM 275 O GLN A 22 4.549 -5.156 1.772 1.00 0.00 O ATOM 276 CB GLN A 22 7.495 -3.729 1.513 1.00 0.00 C ATOM 277 CG GLN A 22 6.598 -2.839 2.382 1.00 0.00 C ATOM 278 CD GLN A 22 5.493 -2.146 1.587 1.00 0.00 C ATOM 279 OE1 GLN A 22 5.771 -1.260 0.779 1.00 0.00 O ATOM 280 NE2 GLN A 22 4.223 -2.540 1.804 1.00 0.00 N ATOM 0 H GLN A 22 8.096 -5.127 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 22 7.030 -5.744 2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.445 -3.887 2.024 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.717 -3.211 0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.147 -3.445 3.168 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.212 -2.084 2.874 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.026 -3.277 2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.458 -2.101 1.291 1.00 0.00 H new ATOM 289 N ARG A 23 5.119 -4.344 -0.264 1.00 0.00 N ATOM 290 CA ARG A 23 3.771 -4.031 -0.693 1.00 0.00 C ATOM 291 C ARG A 23 2.738 -4.785 0.126 1.00 0.00 C ATOM 292 O ARG A 23 2.259 -4.290 1.140 1.00 0.00 O ATOM 293 CB ARG A 23 3.602 -4.332 -2.183 1.00 0.00 C ATOM 294 CG ARG A 23 2.189 -4.106 -2.680 1.00 0.00 C ATOM 295 CD ARG A 23 1.574 -5.391 -3.208 1.00 0.00 C ATOM 296 NE ARG A 23 0.625 -5.144 -4.291 1.00 0.00 N ATOM 297 CZ ARG A 23 -0.640 -4.778 -4.100 1.00 0.00 C ATOM 298 NH1 ARG A 23 -1.111 -4.603 -2.871 1.00 0.00 N ATOM 299 NH2 ARG A 23 -1.438 -4.585 -5.141 1.00 0.00 N ATOM 0 H ARG A 23 5.834 -4.117 -0.955 1.00 0.00 H new ATOM 0 HA ARG A 23 3.607 -2.966 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.286 -3.704 -2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.886 -5.367 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.575 -3.714 -1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.195 -3.353 -3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.365 -6.051 -3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.067 -5.910 -2.395 1.00 0.00 H new ATOM 0 HE ARG A 23 0.952 -5.259 -5.250 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.502 -4.749 -2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.082 -4.322 -2.732 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.082 -4.717 -6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.408 -4.304 -4.995 1.00 0.00 H new ATOM 313 N MET A 24 2.412 -5.988 -0.300 1.00 0.00 N ATOM 314 CA MET A 24 1.439 -6.787 0.419 1.00 0.00 C ATOM 315 C MET A 24 1.877 -7.032 1.862 1.00 0.00 C ATOM 316 O MET A 24 1.045 -7.099 2.764 1.00 0.00 O ATOM 317 CB MET A 24 1.201 -8.119 -0.296 1.00 0.00 C ATOM 318 CG MET A 24 0.156 -8.992 0.380 1.00 0.00 C ATOM 319 SD MET A 24 -1.457 -8.893 -0.420 1.00 0.00 S ATOM 320 CE MET A 24 -1.149 -9.823 -1.919 1.00 0.00 C ATOM 0 H MET A 24 2.801 -6.431 -1.132 1.00 0.00 H new ATOM 0 HA MET A 24 0.504 -6.228 0.441 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.889 -7.921 -1.322 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.142 -8.667 -0.349 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.496 -10.028 0.376 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.058 -8.693 1.424 1.00 0.00 H new ATOM 0 HE1 MET A 24 -2.098 -10.081 -2.389 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.556 -9.220 -2.606 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.605 -10.736 -1.676 1.00 0.00 H new ATOM 330 N MET A 25 3.183 -7.193 2.077 1.00 0.00 N ATOM 331 CA MET A 25 3.704 -7.458 3.417 1.00 0.00 C ATOM 332 C MET A 25 3.316 -6.366 4.420 1.00 0.00 C ATOM 333 O MET A 25 2.776 -6.674 5.483 1.00 0.00 O ATOM 334 CB MET A 25 5.227 -7.599 3.368 1.00 0.00 C ATOM 335 CG MET A 25 5.703 -9.041 3.317 1.00 0.00 C ATOM 336 SD MET A 25 5.260 -9.970 4.799 1.00 0.00 S ATOM 337 CE MET A 25 6.858 -10.612 5.287 1.00 0.00 C ATOM 0 H MET A 25 3.894 -7.145 1.347 1.00 0.00 H new ATOM 0 HA MET A 25 3.255 -8.391 3.759 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.605 -7.069 2.493 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.657 -7.114 4.244 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.273 -9.531 2.443 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.786 -9.058 3.192 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.749 -11.210 6.192 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.260 -11.234 4.487 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.540 -9.783 5.480 1.00 0.00 H new ATOM 347 N LEU A 26 3.562 -5.093 4.092 1.00 0.00 N ATOM 348 CA LEU A 26 3.187 -4.013 5.006 1.00 0.00 C ATOM 349 C LEU A 26 1.671 -3.912 5.067 1.00 0.00 C ATOM 350 O LEU A 26 1.090 -3.906 6.148 1.00 0.00 O ATOM 351 CB LEU A 26 3.807 -2.677 4.593 1.00 0.00 C ATOM 352 CG LEU A 26 4.163 -1.740 5.747 1.00 0.00 C ATOM 353 CD1 LEU A 26 4.846 -0.485 5.226 1.00 0.00 C ATOM 354 CD2 LEU A 26 2.921 -1.380 6.542 1.00 0.00 C ATOM 0 H LEU A 26 4.007 -4.792 3.225 1.00 0.00 H new ATOM 0 HA LEU A 26 3.576 -4.247 5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.710 -2.877 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.112 -2.162 3.929 1.00 0.00 H new ATOM 0 HG LEU A 26 4.857 -2.258 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.092 0.169 6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.760 -0.760 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.176 0.036 4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.193 -0.712 7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.203 -0.882 5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.473 -2.287 6.948 1.00 0.00 H new ATOM 366 N GLY A 27 1.028 -3.886 3.895 1.00 0.00 N ATOM 367 CA GLY A 27 -0.394 -3.845 3.844 1.00 0.00 C ATOM 368 C GLY A 27 -0.978 -5.019 4.591 1.00 0.00 C ATOM 369 O GLY A 27 -2.047 -4.925 5.153 1.00 0.00 O ATOM 0 H GLY A 27 1.489 -3.893 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.754 -2.913 4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.728 -3.862 2.807 1.00 0.00 H new ATOM 373 N GLU A 28 -0.255 -6.122 4.649 1.00 0.00 N ATOM 374 CA GLU A 28 -0.750 -7.273 5.383 1.00 0.00 C ATOM 375 C GLU A 28 -1.074 -6.846 6.808 1.00 0.00 C ATOM 376 O GLU A 28 -2.124 -7.191 7.353 1.00 0.00 O ATOM 377 CB GLU A 28 0.289 -8.398 5.384 1.00 0.00 C ATOM 378 CG GLU A 28 -0.222 -9.698 4.782 1.00 0.00 C ATOM 379 CD GLU A 28 -0.686 -10.684 5.835 1.00 0.00 C ATOM 380 OE1 GLU A 28 0.177 -11.355 6.441 1.00 0.00 O ATOM 381 OE2 GLU A 28 -1.912 -10.789 6.053 1.00 0.00 O ATOM 0 H GLU A 28 0.656 -6.246 4.208 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.652 -7.651 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.168 -8.070 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.611 -8.583 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.047 -9.481 4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.569 -10.154 4.186 1.00 0.00 H new ATOM 388 N ASN A 29 -0.179 -6.054 7.392 1.00 0.00 N ATOM 389 CA ASN A 29 -0.381 -5.552 8.747 1.00 0.00 C ATOM 390 C ASN A 29 -1.090 -4.200 8.729 1.00 0.00 C ATOM 391 O ASN A 29 -2.077 -3.985 9.440 1.00 0.00 O ATOM 392 CB ASN A 29 0.960 -5.428 9.473 1.00 0.00 C ATOM 393 CG ASN A 29 1.274 -6.645 10.320 1.00 0.00 C ATOM 394 OD1 ASN A 29 0.503 -7.014 11.207 1.00 0.00 O ATOM 395 ND2 ASN A 29 2.410 -7.276 10.053 1.00 0.00 N ATOM 0 H ASN A 29 0.688 -5.748 6.951 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.011 -6.264 9.280 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.754 -5.284 8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.946 -4.541 10.107 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.674 -8.101 10.592 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.020 -6.936 9.309 1.00 0.00 H new ATOM 402 N LEU A 30 -0.583 -3.285 7.915 1.00 0.00 N ATOM 403 CA LEU A 30 -1.163 -1.956 7.816 1.00 0.00 C ATOM 404 C LEU A 30 -2.446 -1.946 6.988 1.00 0.00 C ATOM 405 O LEU A 30 -3.374 -1.227 7.326 1.00 0.00 O ATOM 406 CB LEU A 30 -0.148 -0.973 7.245 1.00 0.00 C ATOM 407 CG LEU A 30 0.765 -0.323 8.288 1.00 0.00 C ATOM 408 CD1 LEU A 30 -0.028 0.629 9.171 1.00 0.00 C ATOM 409 CD2 LEU A 30 1.449 -1.387 9.135 1.00 0.00 C ATOM 0 H LEU A 30 0.227 -3.439 7.315 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.430 -1.643 8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.470 -1.493 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.683 -0.188 6.710 1.00 0.00 H new ATOM 0 HG LEU A 30 1.532 0.248 7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.637 1.082 9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.474 1.410 8.555 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.816 0.078 9.685 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.094 -0.907 9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.695 -1.984 9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.048 -2.033 8.493 1.00 0.00 H new ATOM 421 N TYR A 31 -2.514 -2.740 5.915 1.00 0.00 N ATOM 422 CA TYR A 31 -3.721 -2.781 5.090 1.00 0.00 C ATOM 423 C TYR A 31 -4.920 -3.017 5.982 1.00 0.00 C ATOM 424 O TYR A 31 -5.865 -2.256 5.937 1.00 0.00 O ATOM 425 CB TYR A 31 -3.663 -3.850 3.988 1.00 0.00 C ATOM 426 CG TYR A 31 -4.961 -4.012 3.235 1.00 0.00 C ATOM 427 CD1 TYR A 31 -5.511 -2.959 2.520 1.00 0.00 C ATOM 428 CD2 TYR A 31 -5.642 -5.222 3.249 1.00 0.00 C ATOM 429 CE1 TYR A 31 -6.702 -3.104 1.840 1.00 0.00 C ATOM 430 CE2 TYR A 31 -6.834 -5.377 2.571 1.00 0.00 C ATOM 431 CZ TYR A 31 -7.359 -4.314 1.869 1.00 0.00 C ATOM 432 OH TYR A 31 -8.545 -4.464 1.193 1.00 0.00 O ATOM 0 H TYR A 31 -1.761 -3.353 5.603 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.803 -1.821 4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.873 -3.591 3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.390 -4.806 4.435 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.998 -2.009 2.495 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.232 -6.056 3.800 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.117 -2.274 1.288 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.352 -6.325 2.591 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.285 -4.164 1.761 1.00 0.00 H new ATOM 442 N PRO A 32 -4.903 -4.030 6.856 1.00 0.00 N ATOM 443 CA PRO A 32 -6.030 -4.232 7.742 1.00 0.00 C ATOM 444 C PRO A 32 -6.303 -2.947 8.510 1.00 0.00 C ATOM 445 O PRO A 32 -7.453 -2.623 8.804 1.00 0.00 O ATOM 446 CB PRO A 32 -5.568 -5.333 8.700 1.00 0.00 C ATOM 447 CG PRO A 32 -4.438 -6.014 8.009 1.00 0.00 C ATOM 448 CD PRO A 32 -3.831 -5.009 7.066 1.00 0.00 C ATOM 0 HA PRO A 32 -6.945 -4.501 7.215 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.249 -4.914 9.654 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.376 -6.032 8.913 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.698 -6.362 8.730 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.790 -6.890 7.465 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.944 -4.544 7.495 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.526 -5.474 6.129 1.00 0.00 H new ATOM 456 N LEU A 33 -5.238 -2.188 8.795 1.00 0.00 N ATOM 457 CA LEU A 33 -5.401 -0.917 9.481 1.00 0.00 C ATOM 458 C LEU A 33 -5.877 0.144 8.502 1.00 0.00 C ATOM 459 O LEU A 33 -6.838 0.869 8.760 1.00 0.00 O ATOM 460 CB LEU A 33 -4.083 -0.486 10.129 1.00 0.00 C ATOM 461 CG LEU A 33 -4.211 0.071 11.548 1.00 0.00 C ATOM 462 CD1 LEU A 33 -4.291 -1.062 12.560 1.00 0.00 C ATOM 463 CD2 LEU A 33 -3.042 0.991 11.867 1.00 0.00 C ATOM 0 H LEU A 33 -4.275 -2.432 8.563 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.148 -1.036 10.265 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.409 -1.343 10.151 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.616 0.271 9.499 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.132 0.652 11.609 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.382 -0.647 13.564 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.161 -1.682 12.344 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.388 -1.669 12.498 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.150 1.378 12.880 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.109 0.434 11.789 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.029 1.821 11.161 1.00 0.00 H new ATOM 475 N VAL A 34 -5.196 0.202 7.356 1.00 0.00 N ATOM 476 CA VAL A 34 -5.539 1.138 6.309 1.00 0.00 C ATOM 477 C VAL A 34 -6.755 0.671 5.554 1.00 0.00 C ATOM 478 O VAL A 34 -7.710 1.425 5.386 1.00 0.00 O ATOM 479 CB VAL A 34 -4.355 1.362 5.383 1.00 0.00 C ATOM 480 CG1 VAL A 34 -4.711 2.378 4.307 1.00 0.00 C ATOM 481 CG2 VAL A 34 -3.172 1.818 6.221 1.00 0.00 C ATOM 0 H VAL A 34 -4.400 -0.397 7.138 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.786 2.096 6.766 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.090 0.437 4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.854 2.529 3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.554 2.009 3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.980 3.325 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.311 1.984 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.425 2.746 6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.930 1.051 6.957 1.00 0.00 H new ATOM 491 N ASP A 35 -6.720 -0.594 5.137 1.00 0.00 N ATOM 492 CA ASP A 35 -7.849 -1.212 4.427 1.00 0.00 C ATOM 493 C ASP A 35 -9.182 -0.581 4.849 1.00 0.00 C ATOM 494 O ASP A 35 -9.861 -1.086 5.743 1.00 0.00 O ATOM 495 CB ASP A 35 -7.911 -2.719 4.696 1.00 0.00 C ATOM 496 CG ASP A 35 -9.120 -3.380 4.063 1.00 0.00 C ATOM 497 OD1 ASP A 35 -9.498 -2.979 2.943 1.00 0.00 O ATOM 498 OD2 ASP A 35 -9.689 -4.300 4.689 1.00 0.00 O ATOM 0 H ASP A 35 -5.923 -1.215 5.277 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.688 -1.039 3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.004 -3.189 4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.931 -2.891 5.772 1.00 0.00 H new ATOM 571 N ASP A 40 -12.589 -6.133 -1.930 1.00 0.00 N ATOM 572 CA ASP A 40 -13.065 -5.885 -3.295 1.00 0.00 C ATOM 573 C ASP A 40 -12.254 -4.781 -3.974 1.00 0.00 C ATOM 574 O ASP A 40 -11.443 -5.048 -4.859 1.00 0.00 O ATOM 575 CB ASP A 40 -14.550 -5.510 -3.277 1.00 0.00 C ATOM 576 CG ASP A 40 -15.353 -6.285 -4.304 1.00 0.00 C ATOM 577 OD1 ASP A 40 -15.363 -5.873 -5.482 1.00 0.00 O ATOM 578 OD2 ASP A 40 -15.971 -7.304 -3.929 1.00 0.00 O ATOM 0 HA ASP A 40 -12.933 -6.803 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.958 -5.698 -2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.655 -4.442 -3.468 1.00 0.00 H new ATOM 583 N GLN A 41 -12.470 -3.545 -3.541 1.00 0.00 N ATOM 584 CA GLN A 41 -11.750 -2.401 -4.092 1.00 0.00 C ATOM 585 C GLN A 41 -10.806 -1.808 -3.047 1.00 0.00 C ATOM 586 O GLN A 41 -9.920 -1.016 -3.367 1.00 0.00 O ATOM 587 CB GLN A 41 -12.730 -1.327 -4.587 1.00 0.00 C ATOM 588 CG GLN A 41 -14.141 -1.472 -4.037 1.00 0.00 C ATOM 589 CD GLN A 41 -14.223 -1.180 -2.552 1.00 0.00 C ATOM 590 OE1 GLN A 41 -13.931 -2.039 -1.722 1.00 0.00 O ATOM 591 NE2 GLN A 41 -14.623 0.039 -2.212 1.00 0.00 N ATOM 0 H GLN A 41 -13.139 -3.308 -2.809 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.161 -2.749 -4.940 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.344 -0.345 -4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.771 -1.362 -5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.807 -0.796 -4.573 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -14.497 -2.485 -4.224 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.855 0.720 -2.935 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -14.698 0.295 -1.228 1.00 0.00 H new ATOM 600 N ALA A 42 -11.009 -2.202 -1.792 1.00 0.00 N ATOM 601 CA ALA A 42 -10.194 -1.725 -0.681 1.00 0.00 C ATOM 602 C ALA A 42 -8.740 -2.161 -0.821 1.00 0.00 C ATOM 603 O ALA A 42 -7.819 -1.375 -0.599 1.00 0.00 O ATOM 604 CB ALA A 42 -10.770 -2.250 0.621 1.00 0.00 C ATOM 0 H ALA A 42 -11.740 -2.858 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.211 -0.635 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.164 -1.896 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.793 -1.891 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.767 -3.340 0.607 1.00 0.00 H new ATOM 610 N ALA A 43 -8.545 -3.422 -1.187 1.00 0.00 N ATOM 611 CA ALA A 43 -7.209 -3.978 -1.353 1.00 0.00 C ATOM 612 C ALA A 43 -6.444 -3.263 -2.453 1.00 0.00 C ATOM 613 O ALA A 43 -5.218 -3.160 -2.406 1.00 0.00 O ATOM 614 CB ALA A 43 -7.292 -5.466 -1.655 1.00 0.00 C ATOM 0 H ALA A 43 -9.300 -4.081 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.668 -3.832 -0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.287 -5.869 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.791 -5.977 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.858 -5.620 -2.574 1.00 0.00 H new ATOM 620 N LYS A 44 -7.170 -2.797 -3.457 1.00 0.00 N ATOM 621 CA LYS A 44 -6.553 -2.126 -4.587 1.00 0.00 C ATOM 622 C LYS A 44 -5.988 -0.749 -4.234 1.00 0.00 C ATOM 623 O LYS A 44 -4.870 -0.437 -4.607 1.00 0.00 O ATOM 624 CB LYS A 44 -7.565 -1.986 -5.725 1.00 0.00 C ATOM 625 CG LYS A 44 -8.256 -3.290 -6.088 1.00 0.00 C ATOM 626 CD LYS A 44 -7.573 -3.975 -7.259 1.00 0.00 C ATOM 627 CE LYS A 44 -6.560 -5.006 -6.787 1.00 0.00 C ATOM 628 NZ LYS A 44 -7.211 -6.135 -6.066 1.00 0.00 N ATOM 0 H LYS A 44 -8.186 -2.872 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.712 -2.747 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.319 -1.252 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.056 -1.596 -6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.255 -3.956 -5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.299 -3.093 -6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.322 -4.459 -7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.074 -3.229 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.009 -5.392 -7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.833 -4.527 -6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.618 -6.986 -6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.326 -5.886 -5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.144 -6.323 -6.485 1.00 0.00 H new ATOM 642 N VAL A 45 -6.763 0.101 -3.572 1.00 0.00 N ATOM 643 CA VAL A 45 -6.285 1.446 -3.272 1.00 0.00 C ATOM 644 C VAL A 45 -5.177 1.531 -2.208 1.00 0.00 C ATOM 645 O VAL A 45 -4.156 2.185 -2.434 1.00 0.00 O ATOM 646 CB VAL A 45 -7.462 2.348 -2.831 1.00 0.00 C ATOM 647 CG1 VAL A 45 -8.614 2.217 -3.806 1.00 0.00 C ATOM 648 CG2 VAL A 45 -7.927 2.011 -1.421 1.00 0.00 C ATOM 0 H VAL A 45 -7.704 -0.109 -3.239 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.839 1.790 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.109 3.379 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.437 2.856 -3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.285 2.520 -4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.950 1.181 -3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.755 2.664 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.257 0.973 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.103 2.154 -0.722 1.00 0.00 H new ATOM 658 N THR A 46 -5.383 0.923 -1.041 1.00 0.00 N ATOM 659 CA THR A 46 -4.393 1.025 0.034 1.00 0.00 C ATOM 660 C THR A 46 -3.103 0.258 -0.216 1.00 0.00 C ATOM 661 O THR A 46 -2.013 0.820 -0.129 1.00 0.00 O ATOM 662 CB THR A 46 -5.031 0.513 1.331 1.00 0.00 C ATOM 663 OG1 THR A 46 -5.920 1.480 1.860 1.00 0.00 O ATOM 664 CG2 THR A 46 -4.037 0.158 2.427 1.00 0.00 C ATOM 0 H THR A 46 -6.207 0.366 -0.816 1.00 0.00 H new ATOM 0 HA THR A 46 -4.110 2.076 0.095 1.00 0.00 H new ATOM 0 HB THR A 46 -5.547 -0.402 1.041 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.517 2.370 1.785 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.576 -0.195 3.307 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.369 -0.627 2.072 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.453 1.041 2.689 1.00 0.00 H new ATOM 672 N GLY A 47 -3.230 -1.025 -0.498 1.00 0.00 N ATOM 673 CA GLY A 47 -2.060 -1.849 -0.702 1.00 0.00 C ATOM 674 C GLY A 47 -1.365 -1.685 -2.052 1.00 0.00 C ATOM 675 O GLY A 47 -0.175 -1.959 -2.157 1.00 0.00 O ATOM 0 H GLY A 47 -4.121 -1.512 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.340 -1.628 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.349 -2.894 -0.587 1.00 0.00 H new ATOM 679 N MET A 48 -2.079 -1.253 -3.093 1.00 0.00 N ATOM 680 CA MET A 48 -1.439 -1.088 -4.403 1.00 0.00 C ATOM 681 C MET A 48 -0.365 -0.018 -4.324 1.00 0.00 C ATOM 682 O MET A 48 0.763 -0.218 -4.777 1.00 0.00 O ATOM 683 CB MET A 48 -2.448 -0.716 -5.489 1.00 0.00 C ATOM 684 CG MET A 48 -3.223 -1.906 -6.033 1.00 0.00 C ATOM 685 SD MET A 48 -2.355 -2.747 -7.371 1.00 0.00 S ATOM 686 CE MET A 48 -3.721 -3.155 -8.456 1.00 0.00 C ATOM 0 H MET A 48 -3.071 -1.017 -3.061 1.00 0.00 H new ATOM 0 HA MET A 48 -0.993 -2.046 -4.671 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.152 0.012 -5.085 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.922 -0.229 -6.310 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.409 -2.613 -5.225 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.195 -1.568 -6.392 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.539 -4.124 -8.922 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.644 -3.198 -7.878 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.812 -2.392 -9.229 1.00 0.00 H new ATOM 696 N LEU A 49 -0.717 1.113 -3.726 1.00 0.00 N ATOM 697 CA LEU A 49 0.222 2.211 -3.563 1.00 0.00 C ATOM 698 C LEU A 49 1.418 1.773 -2.725 1.00 0.00 C ATOM 699 O LEU A 49 2.449 2.443 -2.702 1.00 0.00 O ATOM 700 CB LEU A 49 -0.455 3.428 -2.927 1.00 0.00 C ATOM 701 CG LEU A 49 -1.229 4.326 -3.898 1.00 0.00 C ATOM 702 CD1 LEU A 49 -0.446 4.549 -5.182 1.00 0.00 C ATOM 703 CD2 LEU A 49 -2.593 3.727 -4.203 1.00 0.00 C ATOM 0 H LEU A 49 -1.647 1.292 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 49 0.575 2.498 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.141 3.080 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.307 4.029 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.372 5.295 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.020 5.190 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.506 5.027 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.262 3.590 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.130 4.377 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.466 2.743 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.163 3.630 -3.279 1.00 0.00 H new ATOM 715 N LEU A 50 1.265 0.653 -2.021 1.00 0.00 N ATOM 716 CA LEU A 50 2.323 0.141 -1.166 1.00 0.00 C ATOM 717 C LEU A 50 3.629 -0.060 -1.942 1.00 0.00 C ATOM 718 O LEU A 50 4.702 -0.158 -1.347 1.00 0.00 O ATOM 719 CB LEU A 50 1.896 -1.175 -0.534 1.00 0.00 C ATOM 720 CG LEU A 50 1.158 -1.009 0.785 1.00 0.00 C ATOM 721 CD1 LEU A 50 0.618 -2.341 1.292 1.00 0.00 C ATOM 722 CD2 LEU A 50 2.086 -0.368 1.813 1.00 0.00 C ATOM 0 H LEU A 50 0.417 0.086 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 50 2.503 0.881 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.256 -1.713 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.779 -1.793 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 50 0.300 -0.356 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.096 -2.186 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.074 -2.756 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.445 -3.035 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.556 -0.250 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.958 -1.005 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.408 0.609 1.453 1.00 0.00 H new ATOM 734 N GLU A 51 3.540 -0.115 -3.270 1.00 0.00 N ATOM 735 CA GLU A 51 4.728 -0.293 -4.103 1.00 0.00 C ATOM 736 C GLU A 51 4.744 0.683 -5.282 1.00 0.00 C ATOM 737 O GLU A 51 5.715 0.731 -6.038 1.00 0.00 O ATOM 738 CB GLU A 51 4.816 -1.729 -4.623 1.00 0.00 C ATOM 739 CG GLU A 51 3.520 -2.243 -5.222 1.00 0.00 C ATOM 740 CD GLU A 51 3.454 -2.047 -6.724 1.00 0.00 C ATOM 741 OE1 GLU A 51 4.167 -1.161 -7.239 1.00 0.00 O ATOM 742 OE2 GLU A 51 2.688 -2.780 -7.385 1.00 0.00 O ATOM 0 H GLU A 51 2.665 -0.040 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 51 5.594 -0.085 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.601 -1.785 -5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.112 -2.385 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.413 -3.303 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.679 -1.730 -4.755 1.00 0.00 H new ATOM 749 N MET A 52 3.673 1.458 -5.439 1.00 0.00 N ATOM 750 CA MET A 52 3.587 2.422 -6.531 1.00 0.00 C ATOM 751 C MET A 52 4.507 3.612 -6.281 1.00 0.00 C ATOM 752 O MET A 52 5.559 3.736 -6.909 1.00 0.00 O ATOM 753 CB MET A 52 2.145 2.902 -6.707 1.00 0.00 C ATOM 754 CG MET A 52 1.179 1.794 -7.090 1.00 0.00 C ATOM 755 SD MET A 52 0.835 1.754 -8.860 1.00 0.00 S ATOM 756 CE MET A 52 -0.932 1.459 -8.855 1.00 0.00 C ATOM 0 H MET A 52 2.857 1.437 -4.827 1.00 0.00 H new ATOM 0 HA MET A 52 3.909 1.924 -7.446 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.808 3.362 -5.778 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.119 3.676 -7.474 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.593 0.834 -6.782 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.244 1.927 -6.545 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.304 1.461 -9.879 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.138 0.492 -8.396 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.430 2.244 -8.286 1.00 0.00 H new ATOM 766 N ASP A 53 4.109 4.487 -5.361 1.00 0.00 N ATOM 767 CA ASP A 53 4.908 5.666 -5.037 1.00 0.00 C ATOM 768 C ASP A 53 5.441 5.589 -3.611 1.00 0.00 C ATOM 769 O ASP A 53 4.717 5.217 -2.690 1.00 0.00 O ATOM 770 CB ASP A 53 4.076 6.936 -5.214 1.00 0.00 C ATOM 771 CG ASP A 53 4.208 7.525 -6.605 1.00 0.00 C ATOM 772 OD1 ASP A 53 4.101 6.760 -7.586 1.00 0.00 O ATOM 773 OD2 ASP A 53 4.420 8.751 -6.713 1.00 0.00 O ATOM 0 H ASP A 53 3.243 4.403 -4.829 1.00 0.00 H new ATOM 0 HA ASP A 53 5.756 5.697 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.028 6.711 -5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.388 7.677 -4.478 1.00 0.00 H new ATOM 778 N GLN A 54 6.713 5.942 -3.435 1.00 0.00 N ATOM 779 CA GLN A 54 7.344 5.912 -2.117 1.00 0.00 C ATOM 780 C GLN A 54 6.556 6.754 -1.117 1.00 0.00 C ATOM 781 O GLN A 54 6.421 6.394 0.051 1.00 0.00 O ATOM 782 CB GLN A 54 8.785 6.418 -2.206 1.00 0.00 C ATOM 783 CG GLN A 54 9.749 5.667 -1.302 1.00 0.00 C ATOM 784 CD GLN A 54 9.807 6.247 0.097 1.00 0.00 C ATOM 785 OE1 GLN A 54 10.240 7.382 0.294 1.00 0.00 O ATOM 786 NE2 GLN A 54 9.369 5.467 1.079 1.00 0.00 N ATOM 0 H GLN A 54 7.327 6.252 -4.188 1.00 0.00 H new ATOM 0 HA GLN A 54 7.351 4.879 -1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.128 6.335 -3.237 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.807 7.477 -1.947 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.448 4.621 -1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.746 5.689 -1.742 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.018 4.532 0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.383 5.803 2.042 1.00 0.00 H new ATOM 795 N THR A 55 6.033 7.874 -1.592 1.00 0.00 N ATOM 796 CA THR A 55 5.240 8.769 -0.759 1.00 0.00 C ATOM 797 C THR A 55 3.887 8.143 -0.441 1.00 0.00 C ATOM 798 O THR A 55 3.439 8.150 0.707 1.00 0.00 O ATOM 799 CB THR A 55 5.044 10.115 -1.458 1.00 0.00 C ATOM 800 OG1 THR A 55 4.298 11.000 -0.642 1.00 0.00 O ATOM 801 CG2 THR A 55 4.327 10.002 -2.786 1.00 0.00 C ATOM 0 H THR A 55 6.144 8.187 -2.556 1.00 0.00 H new ATOM 0 HA THR A 55 5.777 8.934 0.175 1.00 0.00 H new ATOM 0 HB THR A 55 6.050 10.495 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.185 11.856 -1.106 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.221 10.993 -3.228 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.903 9.365 -3.457 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.340 9.567 -2.631 1.00 0.00 H new ATOM 809 N GLU A 56 3.236 7.609 -1.473 1.00 0.00 N ATOM 810 CA GLU A 56 1.927 6.983 -1.321 1.00 0.00 C ATOM 811 C GLU A 56 2.013 5.708 -0.490 1.00 0.00 C ATOM 812 O GLU A 56 1.179 5.472 0.378 1.00 0.00 O ATOM 813 CB GLU A 56 1.322 6.674 -2.692 1.00 0.00 C ATOM 814 CG GLU A 56 1.330 7.860 -3.642 1.00 0.00 C ATOM 815 CD GLU A 56 0.604 9.067 -3.077 1.00 0.00 C ATOM 816 OE1 GLU A 56 -0.114 8.909 -2.068 1.00 0.00 O ATOM 817 OE2 GLU A 56 0.755 10.169 -3.646 1.00 0.00 O ATOM 0 H GLU A 56 3.597 7.598 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 56 1.282 7.687 -0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.874 5.851 -3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.295 6.333 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.361 8.133 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.865 7.569 -4.584 1.00 0.00 H new ATOM 824 N VAL A 57 3.024 4.886 -0.755 1.00 0.00 N ATOM 825 CA VAL A 57 3.199 3.639 -0.013 1.00 0.00 C ATOM 826 C VAL A 57 3.310 3.924 1.478 1.00 0.00 C ATOM 827 O VAL A 57 2.653 3.284 2.300 1.00 0.00 O ATOM 828 CB VAL A 57 4.475 2.887 -0.470 1.00 0.00 C ATOM 829 CG1 VAL A 57 5.646 3.841 -0.572 1.00 0.00 C ATOM 830 CG2 VAL A 57 4.812 1.740 0.475 1.00 0.00 C ATOM 0 H VAL A 57 3.730 5.057 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 57 2.327 3.016 -0.212 1.00 0.00 H new ATOM 0 HB VAL A 57 4.276 2.465 -1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.533 3.295 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.417 4.622 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.832 4.294 0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.712 1.233 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.982 2.133 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.983 1.032 0.498 1.00 0.00 H new ATOM 840 N LEU A 58 4.140 4.898 1.812 1.00 0.00 N ATOM 841 CA LEU A 58 4.345 5.293 3.192 1.00 0.00 C ATOM 842 C LEU A 58 3.067 5.887 3.780 1.00 0.00 C ATOM 843 O LEU A 58 2.674 5.565 4.898 1.00 0.00 O ATOM 844 CB LEU A 58 5.497 6.307 3.263 1.00 0.00 C ATOM 845 CG LEU A 58 5.462 7.270 4.454 1.00 0.00 C ATOM 846 CD1 LEU A 58 5.551 6.502 5.764 1.00 0.00 C ATOM 847 CD2 LEU A 58 6.590 8.284 4.350 1.00 0.00 C ATOM 0 H LEU A 58 4.687 5.433 1.137 1.00 0.00 H new ATOM 0 HA LEU A 58 4.604 4.413 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.438 5.758 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.497 6.894 2.345 1.00 0.00 H new ATOM 0 HG LEU A 58 4.514 7.807 4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.525 7.202 6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.709 5.814 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.483 5.938 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.551 8.961 5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.548 7.763 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.481 8.856 3.428 1.00 0.00 H new ATOM 859 N HIS A 59 2.450 6.782 3.019 1.00 0.00 N ATOM 860 CA HIS A 59 1.237 7.471 3.444 1.00 0.00 C ATOM 861 C HIS A 59 -0.009 6.579 3.488 1.00 0.00 C ATOM 862 O HIS A 59 -0.812 6.686 4.415 1.00 0.00 O ATOM 863 CB HIS A 59 0.978 8.665 2.522 1.00 0.00 C ATOM 864 CG HIS A 59 1.578 9.944 3.016 1.00 0.00 C ATOM 865 ND1 HIS A 59 0.959 10.760 3.939 1.00 0.00 N ATOM 866 CD2 HIS A 59 2.752 10.549 2.713 1.00 0.00 C ATOM 867 CE1 HIS A 59 1.722 11.811 4.181 1.00 0.00 C ATOM 868 NE2 HIS A 59 2.817 11.706 3.451 1.00 0.00 N ATOM 0 H HIS A 59 2.776 7.051 2.091 1.00 0.00 H new ATOM 0 HA HIS A 59 1.415 7.796 4.469 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.379 8.443 1.533 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.098 8.798 2.407 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.498 10.189 2.020 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.490 12.618 4.860 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.587 12.375 3.437 1.00 0.00 H new ATOM 876 N LEU A 60 -0.211 5.747 2.466 1.00 0.00 N ATOM 877 CA LEU A 60 -1.416 4.916 2.402 1.00 0.00 C ATOM 878 C LEU A 60 -1.512 3.888 3.525 1.00 0.00 C ATOM 879 O LEU A 60 -2.576 3.724 4.104 1.00 0.00 O ATOM 880 CB LEU A 60 -1.505 4.202 1.050 1.00 0.00 C ATOM 881 CG LEU A 60 -2.366 4.911 0.003 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.810 5.018 0.479 1.00 0.00 C ATOM 883 CD2 LEU A 60 -1.796 6.290 -0.301 1.00 0.00 C ATOM 0 H LEU A 60 0.432 5.630 1.683 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.255 5.601 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.498 4.084 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.904 3.200 1.210 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.354 4.322 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.406 5.525 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.212 4.019 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.846 5.586 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.418 6.784 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.781 6.887 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.781 6.188 -0.685 1.00 0.00 H new ATOM 895 N LEU A 61 -0.421 3.201 3.839 1.00 0.00 N ATOM 896 CA LEU A 61 -0.448 2.192 4.901 1.00 0.00 C ATOM 897 C LEU A 61 0.084 2.771 6.209 1.00 0.00 C ATOM 898 O LEU A 61 0.775 2.091 6.965 1.00 0.00 O ATOM 899 CB LEU A 61 0.356 0.958 4.485 1.00 0.00 C ATOM 900 CG LEU A 61 -0.341 0.050 3.457 1.00 0.00 C ATOM 901 CD1 LEU A 61 -1.500 -0.725 4.067 1.00 0.00 C ATOM 902 CD2 LEU A 61 -0.828 0.865 2.276 1.00 0.00 C ATOM 0 H LEU A 61 0.484 3.318 3.383 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.482 1.889 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.310 1.286 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.580 0.370 5.375 1.00 0.00 H new ATOM 0 HG LEU A 61 0.398 -0.676 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.961 -1.352 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.131 -1.353 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.240 -0.026 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.319 0.208 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.536 1.618 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.020 1.356 1.798 1.00 0.00 H new ATOM 914 N GLU A 62 -0.249 4.036 6.470 1.00 0.00 N ATOM 915 CA GLU A 62 0.189 4.711 7.689 1.00 0.00 C ATOM 916 C GLU A 62 -0.758 5.851 8.065 1.00 0.00 C ATOM 917 O GLU A 62 -1.182 5.959 9.216 1.00 0.00 O ATOM 918 CB GLU A 62 1.607 5.267 7.525 1.00 0.00 C ATOM 919 CG GLU A 62 2.666 4.209 7.256 1.00 0.00 C ATOM 920 CD GLU A 62 2.937 3.331 8.462 1.00 0.00 C ATOM 921 OE1 GLU A 62 1.968 2.788 9.032 1.00 0.00 O ATOM 922 OE2 GLU A 62 4.120 3.187 8.837 1.00 0.00 O ATOM 0 H GLU A 62 -0.821 4.612 5.852 1.00 0.00 H new ATOM 0 HA GLU A 62 0.182 3.969 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.611 5.985 6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.877 5.814 8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.346 3.585 6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.592 4.697 6.952 1.00 0.00 H new ATOM 929 N SER A 63 -1.076 6.708 7.095 1.00 0.00 N ATOM 930 CA SER A 63 -1.957 7.847 7.342 1.00 0.00 C ATOM 931 C SER A 63 -3.385 7.559 6.887 1.00 0.00 C ATOM 932 O SER A 63 -3.605 6.786 5.957 1.00 0.00 O ATOM 933 CB SER A 63 -1.427 9.086 6.621 1.00 0.00 C ATOM 934 OG SER A 63 -0.028 9.222 6.799 1.00 0.00 O ATOM 0 H SER A 63 -0.738 6.635 6.135 1.00 0.00 H new ATOM 0 HA SER A 63 -1.973 8.027 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.656 9.017 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.933 9.974 6.999 1.00 0.00 H new ATOM 0 HG SER A 63 0.363 9.647 6.007 1.00 0.00 H new ATOM 940 N PRO A 64 -4.378 8.193 7.539 1.00 0.00 N ATOM 941 CA PRO A 64 -5.790 8.016 7.200 1.00 0.00 C ATOM 942 C PRO A 64 -6.208 8.889 6.019 1.00 0.00 C ATOM 943 O PRO A 64 -7.080 8.518 5.234 1.00 0.00 O ATOM 944 CB PRO A 64 -6.499 8.464 8.474 1.00 0.00 C ATOM 945 CG PRO A 64 -5.609 9.513 9.046 1.00 0.00 C ATOM 946 CD PRO A 64 -4.199 9.138 8.659 1.00 0.00 C ATOM 0 HA PRO A 64 -6.024 6.996 6.896 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.491 8.860 8.258 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.631 7.634 9.168 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.869 10.497 8.656 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.714 9.562 10.130 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.622 10.012 8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.666 8.676 9.490 1.00 0.00 H new ATOM 954 N ASP A 65 -5.574 10.051 5.903 1.00 0.00 N ATOM 955 CA ASP A 65 -5.867 10.981 4.822 1.00 0.00 C ATOM 956 C ASP A 65 -5.296 10.473 3.501 1.00 0.00 C ATOM 957 O ASP A 65 -5.753 10.852 2.423 1.00 0.00 O ATOM 958 CB ASP A 65 -5.295 12.363 5.156 1.00 0.00 C ATOM 959 CG ASP A 65 -3.835 12.515 4.763 1.00 0.00 C ATOM 960 OD1 ASP A 65 -3.001 11.730 5.261 1.00 0.00 O ATOM 961 OD2 ASP A 65 -3.529 13.419 3.956 1.00 0.00 O ATOM 0 H ASP A 65 -4.851 10.371 6.548 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.949 11.061 4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.883 13.126 4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.398 12.543 6.226 1.00 0.00 H new ATOM 966 N ALA A 66 -4.287 9.618 3.603 1.00 0.00 N ATOM 967 CA ALA A 66 -3.633 9.051 2.431 1.00 0.00 C ATOM 968 C ALA A 66 -4.601 8.194 1.618 1.00 0.00 C ATOM 969 O ALA A 66 -4.534 8.156 0.390 1.00 0.00 O ATOM 970 CB ALA A 66 -2.433 8.224 2.862 1.00 0.00 C ATOM 0 H ALA A 66 -3.901 9.300 4.492 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.298 9.870 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.947 7.802 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.727 8.859 3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.763 7.417 3.516 1.00 0.00 H new ATOM 976 N LEU A 67 -5.493 7.504 2.317 1.00 0.00 N ATOM 977 CA LEU A 67 -6.475 6.636 1.683 1.00 0.00 C ATOM 978 C LEU A 67 -7.395 7.410 0.738 1.00 0.00 C ATOM 979 O LEU A 67 -7.655 6.977 -0.384 1.00 0.00 O ATOM 980 CB LEU A 67 -7.308 5.948 2.765 1.00 0.00 C ATOM 981 CG LEU A 67 -6.539 4.949 3.634 1.00 0.00 C ATOM 982 CD1 LEU A 67 -5.776 5.665 4.734 1.00 0.00 C ATOM 983 CD2 LEU A 67 -7.488 3.919 4.231 1.00 0.00 C ATOM 0 H LEU A 67 -5.556 7.530 3.335 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.940 5.896 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.740 6.712 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.138 5.428 2.288 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.819 4.432 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.238 4.935 5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.066 6.362 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.476 6.213 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.924 3.217 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.232 4.424 4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.989 3.377 3.428 1.00 0.00 H new ATOM 995 N LYS A 68 -7.886 8.551 1.202 1.00 0.00 N ATOM 996 CA LYS A 68 -8.789 9.387 0.413 1.00 0.00 C ATOM 997 C LYS A 68 -8.186 9.770 -0.939 1.00 0.00 C ATOM 998 O LYS A 68 -8.899 9.908 -1.932 1.00 0.00 O ATOM 999 CB LYS A 68 -9.146 10.651 1.196 1.00 0.00 C ATOM 1000 CG LYS A 68 -10.457 10.543 1.958 1.00 0.00 C ATOM 1001 CD LYS A 68 -11.650 10.554 1.018 1.00 0.00 C ATOM 1002 CE LYS A 68 -12.961 10.446 1.780 1.00 0.00 C ATOM 1003 NZ LYS A 68 -14.135 10.406 0.865 1.00 0.00 N ATOM 0 H LYS A 68 -7.674 8.923 2.128 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.689 8.803 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.343 10.872 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.205 11.492 0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.463 9.624 2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.539 11.371 2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.644 11.473 0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.568 9.726 0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.950 9.546 2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.058 11.294 2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.009 10.332 1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.161 11.276 0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.056 9.582 0.235 1.00 0.00 H new ATOM 1017 N ALA A 69 -6.880 9.978 -0.954 1.00 0.00 N ATOM 1018 CA ALA A 69 -6.168 10.391 -2.161 1.00 0.00 C ATOM 1019 C ALA A 69 -6.181 9.351 -3.279 1.00 0.00 C ATOM 1020 O ALA A 69 -6.507 9.661 -4.425 1.00 0.00 O ATOM 1021 CB ALA A 69 -4.732 10.640 -1.791 1.00 0.00 C ATOM 0 H ALA A 69 -6.282 9.867 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.678 11.277 -2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.177 10.950 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.681 11.426 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.295 9.725 -1.391 1.00 0.00 H new ATOM 1027 N LYS A 70 -5.777 8.133 -2.947 1.00 0.00 N ATOM 1028 CA LYS A 70 -5.691 7.060 -3.932 1.00 0.00 C ATOM 1029 C LYS A 70 -7.047 6.450 -4.229 1.00 0.00 C ATOM 1030 O LYS A 70 -7.324 6.043 -5.356 1.00 0.00 O ATOM 1031 CB LYS A 70 -4.738 5.970 -3.441 1.00 0.00 C ATOM 1032 CG LYS A 70 -3.536 6.504 -2.679 1.00 0.00 C ATOM 1033 CD LYS A 70 -2.815 7.600 -3.452 1.00 0.00 C ATOM 1034 CE LYS A 70 -2.355 7.120 -4.820 1.00 0.00 C ATOM 1035 NZ LYS A 70 -2.944 7.934 -5.920 1.00 0.00 N ATOM 0 H LYS A 70 -5.503 7.861 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.311 7.498 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.288 5.282 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.387 5.394 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.862 6.894 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.843 5.687 -2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.479 8.456 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.953 7.942 -2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.267 7.168 -4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.635 6.075 -4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.742 7.419 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.281 8.841 -5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.221 8.111 -6.646 1.00 0.00 H new ATOM 1049 N VAL A 71 -7.882 6.371 -3.211 1.00 0.00 N ATOM 1050 CA VAL A 71 -9.208 5.780 -3.373 1.00 0.00 C ATOM 1051 C VAL A 71 -10.012 6.490 -4.457 1.00 0.00 C ATOM 1052 O VAL A 71 -10.748 5.852 -5.209 1.00 0.00 O ATOM 1053 CB VAL A 71 -10.013 5.790 -2.063 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -9.339 4.918 -1.015 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -10.196 7.209 -1.558 1.00 0.00 C ATOM 0 H VAL A 71 -7.674 6.703 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.039 4.745 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.001 5.375 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.923 4.938 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.274 3.894 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.337 5.297 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.768 7.194 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.220 7.659 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.731 7.795 -2.305 1.00 0.00 H new ATOM 1065 N ALA A 72 -9.873 7.808 -4.535 1.00 0.00 N ATOM 1066 CA ALA A 72 -10.594 8.588 -5.534 1.00 0.00 C ATOM 1067 C ALA A 72 -10.082 8.293 -6.940 1.00 0.00 C ATOM 1068 O ALA A 72 -10.866 8.084 -7.866 1.00 0.00 O ATOM 1069 CB ALA A 72 -10.476 10.073 -5.228 1.00 0.00 C ATOM 0 H ALA A 72 -9.271 8.357 -3.922 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.645 8.301 -5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.019 10.644 -5.981 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.899 10.276 -4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.426 10.364 -5.239 1.00 0.00 H new ATOM 1075 N GLU A 73 -8.762 8.280 -7.094 1.00 0.00 N ATOM 1076 CA GLU A 73 -8.143 8.012 -8.388 1.00 0.00 C ATOM 1077 C GLU A 73 -8.265 6.538 -8.769 1.00 0.00 C ATOM 1078 O GLU A 73 -8.678 6.205 -9.878 1.00 0.00 O ATOM 1079 CB GLU A 73 -6.669 8.422 -8.365 1.00 0.00 C ATOM 1080 CG GLU A 73 -6.458 9.926 -8.306 1.00 0.00 C ATOM 1081 CD GLU A 73 -6.852 10.621 -9.595 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -8.050 10.939 -9.755 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -5.965 10.847 -10.443 1.00 0.00 O ATOM 0 H GLU A 73 -8.099 8.452 -6.338 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.671 8.602 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.186 7.961 -7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.177 8.029 -9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.040 10.339 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.410 10.134 -8.091 1.00 0.00 H new ATOM 1090 N ALA A 74 -7.890 5.662 -7.843 1.00 0.00 N ATOM 1091 CA ALA A 74 -7.943 4.224 -8.082 1.00 0.00 C ATOM 1092 C ALA A 74 -9.360 3.755 -8.395 1.00 0.00 C ATOM 1093 O ALA A 74 -9.561 2.895 -9.251 1.00 0.00 O ATOM 1094 CB ALA A 74 -7.392 3.472 -6.880 1.00 0.00 C ATOM 0 H ALA A 74 -7.546 5.923 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.325 4.010 -8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.437 2.400 -7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.357 3.767 -6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.987 3.709 -5.998 1.00 0.00 H new ATOM 1100 N MET A 75 -10.341 4.316 -7.698 1.00 0.00 N ATOM 1101 CA MET A 75 -11.734 3.938 -7.909 1.00 0.00 C ATOM 1102 C MET A 75 -12.154 4.172 -9.358 1.00 0.00 C ATOM 1103 O MET A 75 -12.951 3.419 -9.913 1.00 0.00 O ATOM 1104 CB MET A 75 -12.645 4.730 -6.970 1.00 0.00 C ATOM 1105 CG MET A 75 -12.806 4.096 -5.599 1.00 0.00 C ATOM 1106 SD MET A 75 -14.029 2.771 -5.587 1.00 0.00 S ATOM 1107 CE MET A 75 -15.470 3.646 -4.981 1.00 0.00 C ATOM 0 H MET A 75 -10.199 5.031 -6.985 1.00 0.00 H new ATOM 0 HA MET A 75 -11.830 2.874 -7.691 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.243 5.736 -6.851 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.627 4.832 -7.431 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.845 3.701 -5.270 1.00 0.00 H new ATOM 0 HG3 MET A 75 -13.098 4.862 -4.881 1.00 0.00 H new ATOM 0 HE1 MET A 75 -16.313 2.958 -4.918 1.00 0.00 H new ATOM 0 HE2 MET A 75 -15.259 4.053 -3.992 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.716 4.459 -5.664 1.00 0.00 H new