USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 72 MET CE :methyl 165:sc= -0.0951 (180deg=-0.575) USER MOD Set 1.2: A 89 MET CE :methyl 164:sc=-0.00647 (180deg=0) USER MOD Single : A 15 SER OG : rot 41:sc= 0.468 USER MOD Single : A 17 LYS NZ :NH3+ -123:sc= 0.0292 (180deg=-0.334) USER MOD Single : A 20 ASN : amide:sc= 1.1 K(o=1.1,f=-5.9!) USER MOD Single : A 22 THR OG1 : rot -43:sc= 0.658 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 119:sc= 0.153 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -91:sc= 0.0512 USER MOD Single : A 44 TYR OH : rot 71:sc= 1.37 USER MOD Single : A 63 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -169:sc= -0.711 (180deg=-1.34) USER MOD Single : A 88 GLN : amide:sc= 0.85 K(o=0.85,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.682 6.820 5.030 1.00 0.00 N ATOM 204 CA SER A 15 10.431 6.736 4.296 1.00 0.00 C ATOM 205 C SER A 15 10.103 5.292 3.967 1.00 0.00 C ATOM 206 O SER A 15 10.984 4.504 3.628 1.00 0.00 O ATOM 207 CB SER A 15 10.528 7.551 3.008 1.00 0.00 C ATOM 208 OG SER A 15 10.651 8.929 3.302 1.00 0.00 O ATOM 0 HA SER A 15 9.635 7.141 4.920 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.387 7.219 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.642 7.381 2.396 1.00 0.00 H new ATOM 0 HG SER A 15 11.256 9.048 4.064 1.00 0.00 H new ATOM 214 N LEU A 16 8.817 4.962 4.075 1.00 0.00 N ATOM 215 CA LEU A 16 8.305 3.662 3.661 1.00 0.00 C ATOM 216 C LEU A 16 7.670 3.830 2.290 1.00 0.00 C ATOM 217 O LEU A 16 7.334 4.952 1.931 1.00 0.00 O ATOM 218 CB LEU A 16 7.260 3.178 4.672 1.00 0.00 C ATOM 219 CG LEU A 16 6.816 1.726 4.444 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.961 0.758 4.740 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.630 1.404 5.349 1.00 0.00 C ATOM 0 H LEU A 16 8.105 5.588 4.451 1.00 0.00 H new ATOM 0 HA LEU A 16 9.107 2.926 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.669 3.271 5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.387 3.829 4.621 1.00 0.00 H new ATOM 0 HG LEU A 16 6.524 1.613 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.625 -0.265 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.802 0.977 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.274 0.871 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.317 0.373 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.922 1.533 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.803 2.075 5.118 1.00 0.00 H new ATOM 233 N LYS A 17 7.517 2.720 1.563 1.00 0.00 N ATOM 234 CA LYS A 17 6.879 2.602 0.254 1.00 0.00 C ATOM 235 C LYS A 17 6.107 1.285 0.233 1.00 0.00 C ATOM 236 O LYS A 17 6.610 0.247 0.662 1.00 0.00 O ATOM 237 CB LYS A 17 7.960 2.653 -0.830 1.00 0.00 C ATOM 238 CG LYS A 17 7.605 1.982 -2.158 1.00 0.00 C ATOM 239 CD LYS A 17 6.487 2.716 -2.891 1.00 0.00 C ATOM 240 CE LYS A 17 6.051 1.972 -4.146 1.00 0.00 C ATOM 241 NZ LYS A 17 7.181 1.721 -5.064 1.00 0.00 N ATOM 0 H LYS A 17 7.860 1.820 1.899 1.00 0.00 H new ATOM 0 HA LYS A 17 6.184 3.419 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.202 3.698 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.863 2.185 -0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.490 1.944 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.301 0.952 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.633 2.836 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.825 3.717 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.596 1.023 -3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.286 2.551 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.971 2.135 -5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.044 2.155 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.325 0.696 -5.165 1.00 0.00 H new ATOM 255 N VAL A 18 4.876 1.321 -0.267 1.00 0.00 N ATOM 256 CA VAL A 18 4.043 0.122 -0.385 1.00 0.00 C ATOM 257 C VAL A 18 3.528 -0.026 -1.799 1.00 0.00 C ATOM 258 O VAL A 18 3.158 0.983 -2.400 1.00 0.00 O ATOM 259 CB VAL A 18 2.863 0.244 0.567 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.703 -0.665 0.156 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.344 -0.084 1.970 1.00 0.00 C ATOM 0 H VAL A 18 4.427 2.174 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 18 4.642 -0.754 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 18 2.480 1.264 0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.881 -0.547 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.364 -0.393 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.036 -1.703 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.511 -0.002 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.737 -1.100 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.129 0.615 2.258 1.00 0.00 H new ATOM 271 N ASP A 19 3.522 -1.287 -2.264 1.00 0.00 N ATOM 272 CA ASP A 19 3.293 -1.731 -3.634 1.00 0.00 C ATOM 273 C ASP A 19 2.265 -2.869 -3.704 1.00 0.00 C ATOM 274 O ASP A 19 1.738 -3.313 -2.684 1.00 0.00 O ATOM 275 CB ASP A 19 4.615 -2.267 -4.205 1.00 0.00 C ATOM 276 CG ASP A 19 5.732 -1.240 -4.302 1.00 0.00 C ATOM 277 OD1 ASP A 19 6.402 -1.018 -3.270 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.907 -0.689 -5.411 1.00 0.00 O ATOM 0 H ASP A 19 3.691 -2.075 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 19 2.916 -0.879 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.955 -3.094 -3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.427 -2.673 -5.199 1.00 0.00 H new ATOM 283 N ASN A 20 2.006 -3.328 -4.933 1.00 0.00 N ATOM 284 CA ASN A 20 1.116 -4.423 -5.300 1.00 0.00 C ATOM 285 C ASN A 20 -0.359 -4.111 -5.053 1.00 0.00 C ATOM 286 O ASN A 20 -0.798 -4.003 -3.911 1.00 0.00 O ATOM 287 CB ASN A 20 1.547 -5.737 -4.662 1.00 0.00 C ATOM 288 CG ASN A 20 0.996 -6.914 -5.462 1.00 0.00 C ATOM 289 OD1 ASN A 20 0.721 -6.804 -6.653 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.818 -8.059 -4.818 1.00 0.00 N ATOM 0 H ASN A 20 2.447 -2.911 -5.753 1.00 0.00 H new ATOM 0 HA ASN A 20 1.209 -4.543 -6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.635 -5.792 -4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.188 -5.786 -3.634 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.446 -8.870 -5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.053 -8.129 -3.828 1.00 0.00 H new ATOM 297 N LEU A 21 -1.116 -3.973 -6.149 1.00 0.00 N ATOM 298 CA LEU A 21 -2.537 -3.653 -6.126 1.00 0.00 C ATOM 299 C LEU A 21 -3.301 -4.518 -7.121 1.00 0.00 C ATOM 300 O LEU A 21 -2.697 -5.187 -7.955 1.00 0.00 O ATOM 301 CB LEU A 21 -2.748 -2.198 -6.550 1.00 0.00 C ATOM 302 CG LEU A 21 -1.846 -1.198 -5.838 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.143 0.170 -6.441 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.087 -1.165 -4.334 1.00 0.00 C ATOM 0 H LEU A 21 -0.744 -4.084 -7.092 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.897 -3.828 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.582 -2.118 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.787 -1.926 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.804 -1.488 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.518 0.923 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.931 0.150 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.193 0.417 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.419 -0.437 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.122 -0.883 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.893 -2.151 -3.913 1.00 0.00 H new ATOM 316 N THR A 22 -4.635 -4.496 -7.024 1.00 0.00 N ATOM 317 CA THR A 22 -5.510 -5.251 -7.915 1.00 0.00 C ATOM 318 C THR A 22 -6.431 -4.324 -8.702 1.00 0.00 C ATOM 319 O THR A 22 -7.430 -4.798 -9.236 1.00 0.00 O ATOM 320 CB THR A 22 -6.315 -6.283 -7.115 1.00 0.00 C ATOM 321 OG1 THR A 22 -6.957 -7.178 -7.994 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.353 -5.620 -6.207 1.00 0.00 C ATOM 0 H THR A 22 -5.135 -3.951 -6.322 1.00 0.00 H new ATOM 0 HA THR A 22 -4.890 -5.781 -8.638 1.00 0.00 H new ATOM 0 HB THR A 22 -5.614 -6.825 -6.480 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.339 -6.680 -8.747 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.900 -6.387 -5.659 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.850 -4.959 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.049 -5.041 -6.813 1.00 0.00 H new ATOM 329 N TYR A 23 -6.094 -3.026 -8.760 1.00 0.00 N ATOM 330 CA TYR A 23 -6.834 -1.976 -9.468 1.00 0.00 C ATOM 331 C TYR A 23 -7.970 -1.393 -8.630 1.00 0.00 C ATOM 332 O TYR A 23 -8.590 -0.403 -9.017 1.00 0.00 O ATOM 333 CB TYR A 23 -7.307 -2.453 -10.844 1.00 0.00 C ATOM 334 CG TYR A 23 -8.795 -2.348 -11.096 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.698 -3.181 -10.419 1.00 0.00 C ATOM 336 CD2 TYR A 23 -9.267 -1.406 -12.020 1.00 0.00 C ATOM 337 CE1 TYR A 23 -11.074 -3.082 -10.674 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.641 -1.299 -12.277 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.550 -2.139 -11.608 1.00 0.00 C ATOM 340 OH TYR A 23 -12.885 -2.040 -11.857 1.00 0.00 O ATOM 0 H TYR A 23 -5.261 -2.667 -8.293 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.137 -1.155 -9.637 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.786 -1.876 -11.608 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.008 -3.493 -10.971 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.333 -3.900 -9.700 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.571 -0.761 -12.535 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.768 -3.727 -10.156 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.002 -0.571 -12.989 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.042 -1.341 -12.525 1.00 0.00 H new ATOM 350 N ARG A 24 -8.231 -2.013 -7.480 1.00 0.00 N ATOM 351 CA ARG A 24 -9.329 -1.626 -6.599 1.00 0.00 C ATOM 352 C ARG A 24 -8.893 -1.532 -5.135 1.00 0.00 C ATOM 353 O ARG A 24 -9.713 -1.243 -4.264 1.00 0.00 O ATOM 354 CB ARG A 24 -10.453 -2.638 -6.829 1.00 0.00 C ATOM 355 CG ARG A 24 -11.743 -2.291 -6.087 1.00 0.00 C ATOM 356 CD ARG A 24 -12.861 -3.231 -6.547 1.00 0.00 C ATOM 357 NE ARG A 24 -14.116 -2.932 -5.846 1.00 0.00 N ATOM 358 CZ ARG A 24 -15.261 -3.591 -6.043 1.00 0.00 C ATOM 359 NH1 ARG A 24 -15.324 -4.601 -6.905 1.00 0.00 N ATOM 360 NH2 ARG A 24 -16.353 -3.238 -5.371 1.00 0.00 N ATOM 0 H ARG A 24 -7.684 -2.801 -7.133 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.680 -0.621 -6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.662 -2.701 -7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.114 -3.624 -6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.594 -2.384 -5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.020 -1.255 -6.282 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.007 -3.130 -7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.572 -4.265 -6.360 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.113 -2.173 -5.165 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.492 -4.881 -7.425 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.204 -5.096 -7.047 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.315 -2.465 -4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.228 -3.740 -5.520 1.00 0.00 H new ATOM 374 N THR A 25 -7.611 -1.771 -4.846 1.00 0.00 N ATOM 375 CA THR A 25 -7.098 -1.653 -3.484 1.00 0.00 C ATOM 376 C THR A 25 -7.223 -0.213 -2.979 1.00 0.00 C ATOM 377 O THR A 25 -7.547 -0.006 -1.818 1.00 0.00 O ATOM 378 CB THR A 25 -5.648 -2.133 -3.442 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.614 -3.518 -3.694 1.00 0.00 O ATOM 380 CG2 THR A 25 -5.015 -1.852 -2.084 1.00 0.00 C ATOM 0 H THR A 25 -6.913 -2.047 -5.537 1.00 0.00 H new ATOM 0 HA THR A 25 -7.693 -2.282 -2.821 1.00 0.00 H new ATOM 0 HB THR A 25 -5.082 -1.594 -4.202 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.686 -3.832 -3.670 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.983 -2.204 -2.083 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.032 -0.780 -1.889 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.576 -2.371 -1.307 1.00 0.00 H new ATOM 387 N SER A 26 -6.967 0.766 -3.856 1.00 0.00 N ATOM 388 CA SER A 26 -7.087 2.203 -3.612 1.00 0.00 C ATOM 389 C SER A 26 -6.279 2.747 -2.423 1.00 0.00 C ATOM 390 O SER A 26 -5.953 2.022 -1.485 1.00 0.00 O ATOM 391 CB SER A 26 -8.571 2.554 -3.477 1.00 0.00 C ATOM 392 OG SER A 26 -9.236 2.247 -4.685 1.00 0.00 O ATOM 0 H SER A 26 -6.654 0.562 -4.805 1.00 0.00 H new ATOM 0 HA SER A 26 -6.639 2.698 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.015 1.996 -2.652 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.686 3.613 -3.244 1.00 0.00 H new ATOM 0 HG SER A 26 -10.187 2.469 -4.601 1.00 0.00 H new ATOM 398 N PRO A 27 -5.947 4.052 -2.453 1.00 0.00 N ATOM 399 CA PRO A 27 -5.205 4.731 -1.394 1.00 0.00 C ATOM 400 C PRO A 27 -6.008 4.824 -0.101 1.00 0.00 C ATOM 401 O PRO A 27 -5.427 4.931 0.976 1.00 0.00 O ATOM 402 CB PRO A 27 -4.907 6.127 -1.943 1.00 0.00 C ATOM 403 CG PRO A 27 -5.947 6.359 -3.033 1.00 0.00 C ATOM 404 CD PRO A 27 -6.272 4.956 -3.540 1.00 0.00 C ATOM 0 HA PRO A 27 -4.299 4.182 -1.139 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.982 6.882 -1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.896 6.184 -2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.833 6.856 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.555 6.990 -3.830 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.324 4.874 -3.814 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.691 4.719 -4.431 1.00 0.00 H new ATOM 412 N ASP A 28 -7.337 4.786 -0.193 1.00 0.00 N ATOM 413 CA ASP A 28 -8.209 4.888 0.967 1.00 0.00 C ATOM 414 C ASP A 28 -8.072 3.672 1.876 1.00 0.00 C ATOM 415 O ASP A 28 -7.913 3.810 3.092 1.00 0.00 O ATOM 416 CB ASP A 28 -9.644 4.979 0.456 1.00 0.00 C ATOM 417 CG ASP A 28 -9.888 6.297 -0.274 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.160 7.300 0.422 1.00 0.00 O ATOM 419 OD2 ASP A 28 -9.802 6.292 -1.523 1.00 0.00 O ATOM 0 H ASP A 28 -7.836 4.683 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.936 5.767 1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.847 4.145 -0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.337 4.890 1.293 1.00 0.00 H new ATOM 424 N THR A 29 -8.131 2.475 1.285 1.00 0.00 N ATOM 425 CA THR A 29 -8.065 1.247 2.060 1.00 0.00 C ATOM 426 C THR A 29 -6.674 1.143 2.654 1.00 0.00 C ATOM 427 O THR A 29 -6.513 0.782 3.817 1.00 0.00 O ATOM 428 CB THR A 29 -8.312 0.040 1.162 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.501 0.239 0.429 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.458 -1.228 1.998 1.00 0.00 C ATOM 0 H THR A 29 -8.224 2.337 0.279 1.00 0.00 H new ATOM 0 HA THR A 29 -8.825 1.264 2.841 1.00 0.00 H new ATOM 0 HB THR A 29 -7.463 -0.071 0.487 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.297 0.249 -0.529 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.634 -2.079 1.340 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.545 -1.394 2.570 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.300 -1.118 2.682 1.00 0.00 H new ATOM 437 N LEU A 30 -5.657 1.467 1.851 1.00 0.00 N ATOM 438 CA LEU A 30 -4.280 1.425 2.303 1.00 0.00 C ATOM 439 C LEU A 30 -4.073 2.406 3.449 1.00 0.00 C ATOM 440 O LEU A 30 -3.244 2.161 4.320 1.00 0.00 O ATOM 441 CB LEU A 30 -3.362 1.810 1.142 1.00 0.00 C ATOM 442 CG LEU A 30 -3.428 0.812 -0.014 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.776 1.453 -1.232 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.690 -0.473 0.339 1.00 0.00 C ATOM 0 H LEU A 30 -5.771 1.762 0.881 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.048 0.418 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.637 2.800 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.335 1.876 1.502 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.469 0.561 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.811 0.758 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.312 2.366 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.738 1.694 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.750 -1.169 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.645 -0.246 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.147 -0.925 1.220 1.00 0.00 H new ATOM 456 N ARG A 31 -4.824 3.514 3.469 1.00 0.00 N ATOM 457 CA ARG A 31 -4.649 4.519 4.504 1.00 0.00 C ATOM 458 C ARG A 31 -4.921 3.909 5.867 1.00 0.00 C ATOM 459 O ARG A 31 -4.063 3.937 6.742 1.00 0.00 O ATOM 460 CB ARG A 31 -5.597 5.699 4.247 1.00 0.00 C ATOM 461 CG ARG A 31 -5.048 7.025 4.783 1.00 0.00 C ATOM 462 CD ARG A 31 -4.521 6.928 6.214 1.00 0.00 C ATOM 463 NE ARG A 31 -4.126 8.248 6.715 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.928 9.070 7.403 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.180 8.720 7.685 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.474 10.252 7.806 1.00 0.00 N ATOM 0 H ARG A 31 -5.549 3.729 2.785 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.622 4.883 4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.775 5.790 3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.561 5.494 4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.245 7.368 4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.835 7.778 4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.289 6.504 6.861 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.667 6.251 6.247 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.174 8.562 6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.539 7.816 7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.781 9.355 8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.517 10.531 7.591 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.083 10.880 8.330 1.00 0.00 H new ATOM 480 N ARG A 32 -6.120 3.351 6.051 1.00 0.00 N ATOM 481 CA ARG A 32 -6.521 2.791 7.340 1.00 0.00 C ATOM 482 C ARG A 32 -5.971 1.380 7.561 1.00 0.00 C ATOM 483 O ARG A 32 -6.140 0.813 8.638 1.00 0.00 O ATOM 484 CB ARG A 32 -8.046 2.816 7.424 1.00 0.00 C ATOM 485 CG ARG A 32 -8.665 1.911 6.355 1.00 0.00 C ATOM 486 CD ARG A 32 -9.923 2.561 5.793 1.00 0.00 C ATOM 487 NE ARG A 32 -10.946 2.749 6.828 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.075 3.440 6.642 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.341 4.005 5.468 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.946 3.569 7.641 1.00 0.00 N ATOM 0 H ARG A 32 -6.829 3.276 5.322 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.095 3.401 8.137 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.366 2.489 8.413 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.405 3.837 7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.947 1.735 5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.908 0.939 6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.669 3.525 5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.326 1.942 4.992 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.786 2.328 7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.680 3.914 4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.206 4.530 5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.751 3.141 8.546 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.808 4.096 7.501 1.00 0.00 H new ATOM 504 N VAL A 33 -5.313 0.811 6.553 1.00 0.00 N ATOM 505 CA VAL A 33 -4.640 -0.485 6.664 1.00 0.00 C ATOM 506 C VAL A 33 -3.191 -0.310 7.106 1.00 0.00 C ATOM 507 O VAL A 33 -2.559 -1.265 7.551 1.00 0.00 O ATOM 508 CB VAL A 33 -4.706 -1.179 5.306 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.656 -2.274 5.149 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.087 -1.813 5.165 1.00 0.00 C ATOM 0 H VAL A 33 -5.230 1.237 5.630 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.139 -1.093 7.418 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.515 -0.429 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.752 -2.731 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.661 -1.842 5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.804 -3.033 5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.160 -2.316 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.238 -2.538 5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.851 -1.038 5.228 1.00 0.00 H new ATOM 520 N PHE A 34 -2.654 0.902 6.992 1.00 0.00 N ATOM 521 CA PHE A 34 -1.259 1.161 7.311 1.00 0.00 C ATOM 522 C PHE A 34 -1.120 2.200 8.400 1.00 0.00 C ATOM 523 O PHE A 34 -0.246 2.071 9.256 1.00 0.00 O ATOM 524 CB PHE A 34 -0.555 1.617 6.038 1.00 0.00 C ATOM 525 CG PHE A 34 -0.038 0.478 5.201 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.137 -0.171 5.587 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.725 0.076 4.052 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.629 -1.236 4.824 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.234 -0.985 3.281 1.00 0.00 C ATOM 530 CZ PHE A 34 0.941 -1.648 3.676 1.00 0.00 C ATOM 0 H PHE A 34 -3.171 1.723 6.678 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.801 0.247 7.689 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.247 2.211 5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.277 2.269 6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.665 0.149 6.473 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.633 0.583 3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.538 -1.739 5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.756 -1.293 2.387 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.314 -2.477 3.093 1.00 0.00 H new ATOM 540 N GLU A 35 -1.958 3.235 8.397 1.00 0.00 N ATOM 541 CA GLU A 35 -1.859 4.242 9.433 1.00 0.00 C ATOM 542 C GLU A 35 -2.251 3.651 10.782 1.00 0.00 C ATOM 543 O GLU A 35 -1.939 4.221 11.827 1.00 0.00 O ATOM 544 CB GLU A 35 -2.710 5.471 9.097 1.00 0.00 C ATOM 545 CG GLU A 35 -4.186 5.334 9.481 1.00 0.00 C ATOM 546 CD GLU A 35 -4.447 5.658 10.953 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.955 6.712 11.414 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.141 4.848 11.608 1.00 0.00 O ATOM 0 H GLU A 35 -2.692 3.391 7.706 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.822 4.573 9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.292 6.339 9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.641 5.666 8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.783 5.998 8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.518 4.317 9.273 1.00 0.00 H new ATOM 555 N LYS A 36 -2.932 2.502 10.749 1.00 0.00 N ATOM 556 CA LYS A 36 -3.434 1.853 11.947 1.00 0.00 C ATOM 557 C LYS A 36 -2.306 1.484 12.896 1.00 0.00 C ATOM 558 O LYS A 36 -2.487 1.502 14.113 1.00 0.00 O ATOM 559 CB LYS A 36 -4.218 0.605 11.544 1.00 0.00 C ATOM 560 CG LYS A 36 -3.316 -0.450 10.886 1.00 0.00 C ATOM 561 CD LYS A 36 -4.124 -1.578 10.239 1.00 0.00 C ATOM 562 CE LYS A 36 -5.202 -2.120 11.172 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.808 -3.349 10.626 1.00 0.00 N ATOM 0 H LYS A 36 -3.147 2.001 9.887 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.087 2.549 12.474 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.696 0.176 12.425 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.014 0.884 10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.692 0.028 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.644 -0.870 11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.588 -1.212 9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.452 -2.387 9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.769 -2.328 12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.974 -1.364 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.538 -3.696 11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.240 -3.142 9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.073 -4.076 10.509 1.00 0.00 H new ATOM 577 N TYR A 37 -1.140 1.150 12.339 1.00 0.00 N ATOM 578 CA TYR A 37 0.006 0.793 13.151 1.00 0.00 C ATOM 579 C TYR A 37 0.646 2.023 13.782 1.00 0.00 C ATOM 580 O TYR A 37 1.361 1.910 14.776 1.00 0.00 O ATOM 581 CB TYR A 37 1.026 0.064 12.285 1.00 0.00 C ATOM 582 CG TYR A 37 0.492 -1.229 11.720 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.589 -2.407 12.472 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.105 -1.245 10.453 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.075 -3.608 11.965 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.612 -2.442 9.935 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.531 -3.627 10.694 1.00 0.00 C ATOM 588 OH TYR A 37 -1.044 -4.790 10.198 1.00 0.00 O ATOM 0 H TYR A 37 -0.973 1.122 11.333 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.332 0.143 13.958 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.332 0.715 11.466 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.917 -0.144 12.877 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.060 -2.389 13.444 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.174 -0.334 9.876 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.143 -4.515 12.547 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.065 -2.458 8.955 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.356 -5.255 9.677 1.00 0.00 H new ATOM 598 N GLY A 38 0.393 3.204 13.210 1.00 0.00 N ATOM 599 CA GLY A 38 0.871 4.456 13.779 1.00 0.00 C ATOM 600 C GLY A 38 0.331 5.655 13.012 1.00 0.00 C ATOM 601 O GLY A 38 -0.467 6.418 13.558 1.00 0.00 O ATOM 0 H GLY A 38 -0.143 3.313 12.349 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.566 4.523 14.823 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.961 4.472 13.763 1.00 0.00 H new ATOM 605 N ARG A 39 0.760 5.825 11.755 1.00 0.00 N ATOM 606 CA ARG A 39 0.271 6.897 10.894 1.00 0.00 C ATOM 607 C ARG A 39 0.729 6.679 9.460 1.00 0.00 C ATOM 608 O ARG A 39 1.589 5.843 9.195 1.00 0.00 O ATOM 609 CB ARG A 39 0.811 8.244 11.397 1.00 0.00 C ATOM 610 CG ARG A 39 -0.110 9.420 11.075 1.00 0.00 C ATOM 611 CD ARG A 39 -1.463 9.240 11.760 1.00 0.00 C ATOM 612 NE ARG A 39 -2.252 10.473 11.690 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.587 10.528 11.711 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.325 9.426 11.779 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.203 11.709 11.665 1.00 0.00 N ATOM 0 H ARG A 39 1.454 5.223 11.312 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.819 6.898 10.922 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.957 8.190 12.476 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.790 8.425 10.952 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.350 10.351 11.404 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.249 9.497 9.997 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.010 8.426 11.285 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.313 8.958 12.802 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.744 11.355 11.620 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.874 8.512 11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.343 9.494 11.794 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.656 12.568 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.222 11.754 11.681 1.00 0.00 H new ATOM 629 N VAL A 40 0.144 7.448 8.541 1.00 0.00 N ATOM 630 CA VAL A 40 0.503 7.437 7.134 1.00 0.00 C ATOM 631 C VAL A 40 0.713 8.874 6.687 1.00 0.00 C ATOM 632 O VAL A 40 -0.242 9.594 6.401 1.00 0.00 O ATOM 633 CB VAL A 40 -0.591 6.746 6.316 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.394 6.950 4.823 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.549 5.239 6.525 1.00 0.00 C ATOM 0 H VAL A 40 -0.604 8.105 8.763 1.00 0.00 H new ATOM 0 HA VAL A 40 1.424 6.876 6.977 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.532 7.182 6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.191 6.444 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.418 8.016 4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.569 6.537 4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.335 4.768 5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.421 4.855 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.703 5.014 7.580 1.00 0.00 H new ATOM 645 N GLY A 41 1.983 9.281 6.634 1.00 0.00 N ATOM 646 CA GLY A 41 2.371 10.612 6.200 1.00 0.00 C ATOM 647 C GLY A 41 1.967 10.878 4.747 1.00 0.00 C ATOM 648 O GLY A 41 1.758 12.032 4.377 1.00 0.00 O ATOM 0 H GLY A 41 2.771 8.688 6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.906 11.355 6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.450 10.728 6.304 1.00 0.00 H new ATOM 652 N ASP A 42 1.855 9.827 3.927 1.00 0.00 N ATOM 653 CA ASP A 42 1.480 9.939 2.526 1.00 0.00 C ATOM 654 C ASP A 42 0.867 8.624 2.064 1.00 0.00 C ATOM 655 O ASP A 42 1.311 7.554 2.472 1.00 0.00 O ATOM 656 CB ASP A 42 2.736 10.205 1.689 1.00 0.00 C ATOM 657 CG ASP A 42 3.156 11.667 1.698 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.330 12.515 1.296 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.311 11.931 2.112 1.00 0.00 O ATOM 0 H ASP A 42 2.026 8.867 4.228 1.00 0.00 H new ATOM 0 HA ASP A 42 0.764 10.752 2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.555 9.595 2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.555 9.891 0.661 1.00 0.00 H new ATOM 664 N VAL A 43 -0.152 8.692 1.206 1.00 0.00 N ATOM 665 CA VAL A 43 -0.758 7.498 0.636 1.00 0.00 C ATOM 666 C VAL A 43 -1.306 7.864 -0.740 1.00 0.00 C ATOM 667 O VAL A 43 -2.219 8.682 -0.858 1.00 0.00 O ATOM 668 CB VAL A 43 -1.813 6.931 1.607 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.248 7.350 1.311 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.742 5.411 1.695 1.00 0.00 C ATOM 0 H VAL A 43 -0.573 9.567 0.893 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.032 6.696 0.498 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.549 7.375 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.917 6.902 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.328 8.436 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.527 7.012 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.501 5.051 2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.918 4.981 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.755 5.113 2.050 1.00 0.00 H new ATOM 680 N TYR A 44 -0.745 7.267 -1.792 1.00 0.00 N ATOM 681 CA TYR A 44 -1.233 7.513 -3.142 1.00 0.00 C ATOM 682 C TYR A 44 -0.888 6.360 -4.074 1.00 0.00 C ATOM 683 O TYR A 44 -0.102 5.483 -3.714 1.00 0.00 O ATOM 684 CB TYR A 44 -0.655 8.824 -3.676 1.00 0.00 C ATOM 685 CG TYR A 44 0.724 8.711 -4.284 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.876 8.846 -3.491 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.846 8.478 -5.659 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.146 8.781 -4.084 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.111 8.391 -6.256 1.00 0.00 C ATOM 690 CZ TYR A 44 3.270 8.557 -5.470 1.00 0.00 C ATOM 691 OH TYR A 44 4.501 8.507 -6.046 1.00 0.00 O ATOM 0 H TYR A 44 0.039 6.617 -1.734 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.319 7.593 -3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.336 9.225 -4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.619 9.547 -2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.784 9.000 -2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.041 8.364 -6.264 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.031 8.903 -3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.198 8.197 -7.315 1.00 0.00 H new ATOM 0 HH TYR A 44 4.954 7.680 -5.778 1.00 0.00 H new ATOM 701 N ILE A 45 -1.476 6.367 -5.272 1.00 0.00 N ATOM 702 CA ILE A 45 -1.247 5.331 -6.264 1.00 0.00 C ATOM 703 C ILE A 45 -0.723 5.976 -7.551 1.00 0.00 C ATOM 704 O ILE A 45 -1.450 6.731 -8.199 1.00 0.00 O ATOM 705 CB ILE A 45 -2.544 4.544 -6.529 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.865 3.505 -5.449 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.392 3.759 -7.834 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.089 4.095 -4.064 1.00 0.00 C ATOM 0 H ILE A 45 -2.124 7.094 -5.576 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.503 4.626 -5.892 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.342 5.286 -6.555 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.757 2.953 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.047 2.786 -5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.306 3.198 -8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.208 4.451 -8.656 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.554 3.068 -7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.311 3.294 -3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.191 4.622 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.927 4.792 -4.096 1.00 0.00 H new ATOM 720 N PRO A 46 0.527 5.687 -7.927 1.00 0.00 N ATOM 721 CA PRO A 46 1.144 6.104 -9.180 1.00 0.00 C ATOM 722 C PRO A 46 0.555 5.319 -10.356 1.00 0.00 C ATOM 723 O PRO A 46 1.251 4.519 -10.984 1.00 0.00 O ATOM 724 CB PRO A 46 2.640 5.849 -8.996 1.00 0.00 C ATOM 725 CG PRO A 46 2.674 4.674 -8.033 1.00 0.00 C ATOM 726 CD PRO A 46 1.473 4.915 -7.133 1.00 0.00 C ATOM 0 HA PRO A 46 0.958 7.153 -9.411 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.127 5.610 -9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.150 6.721 -8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.597 3.722 -8.559 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.603 4.649 -7.464 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.033 3.972 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.762 5.458 -6.233 1.00 0.00 H new ATOM 900 N GLY A 56 -0.282 -1.318 -11.105 1.00 0.00 N ATOM 901 CA GLY A 56 -0.316 -2.499 -10.253 1.00 0.00 C ATOM 902 C GLY A 56 0.412 -2.292 -8.930 1.00 0.00 C ATOM 903 O GLY A 56 0.707 -3.266 -8.242 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.353 -2.768 -10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.135 -3.338 -10.784 1.00 0.00 H new ATOM 907 N PHE A 57 0.712 -1.045 -8.559 1.00 0.00 N ATOM 908 CA PHE A 57 1.402 -0.753 -7.313 1.00 0.00 C ATOM 909 C PHE A 57 0.992 0.608 -6.781 1.00 0.00 C ATOM 910 O PHE A 57 0.576 1.491 -7.534 1.00 0.00 O ATOM 911 CB PHE A 57 2.916 -0.815 -7.534 1.00 0.00 C ATOM 912 CG PHE A 57 3.537 0.419 -8.159 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.327 0.737 -9.513 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.341 1.253 -7.368 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.937 1.874 -10.063 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.949 2.388 -7.920 1.00 0.00 C ATOM 917 CZ PHE A 57 4.745 2.699 -9.268 1.00 0.00 C ATOM 0 H PHE A 57 0.483 -0.220 -9.113 1.00 0.00 H new ATOM 0 HA PHE A 57 1.124 -1.501 -6.570 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.398 -0.996 -6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.138 -1.673 -8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.699 0.108 -10.127 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.493 1.018 -6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.783 2.115 -11.104 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.573 3.021 -7.306 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.210 3.575 -9.697 1.00 0.00 H new ATOM 927 N ALA A 58 1.114 0.768 -5.464 1.00 0.00 N ATOM 928 CA ALA A 58 0.770 1.988 -4.767 1.00 0.00 C ATOM 929 C ALA A 58 2.050 2.665 -4.311 1.00 0.00 C ATOM 930 O ALA A 58 3.136 2.374 -4.805 1.00 0.00 O ATOM 931 CB ALA A 58 -0.131 1.661 -3.575 1.00 0.00 C ATOM 0 H ALA A 58 1.462 0.034 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 58 0.226 2.663 -5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.389 2.581 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.041 1.177 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.395 0.991 -2.894 1.00 0.00 H new ATOM 937 N PHE A 59 1.909 3.576 -3.357 1.00 0.00 N ATOM 938 CA PHE A 59 3.020 4.292 -2.781 1.00 0.00 C ATOM 939 C PHE A 59 2.565 4.852 -1.459 1.00 0.00 C ATOM 940 O PHE A 59 2.427 6.063 -1.298 1.00 0.00 O ATOM 941 CB PHE A 59 3.471 5.373 -3.767 1.00 0.00 C ATOM 942 CG PHE A 59 4.948 5.687 -3.759 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.666 5.864 -2.564 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.607 5.800 -4.989 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.033 6.171 -2.613 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.973 6.103 -5.036 1.00 0.00 C ATOM 947 CZ PHE A 59 7.687 6.293 -3.846 1.00 0.00 C ATOM 0 H PHE A 59 1.005 3.836 -2.962 1.00 0.00 H new ATOM 0 HA PHE A 59 3.881 3.649 -2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.189 5.062 -4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.922 6.289 -3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.167 5.764 -1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.058 5.653 -5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.585 6.314 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.475 6.190 -5.988 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.739 6.533 -3.879 1.00 0.00 H new ATOM 957 N VAL A 60 2.327 3.954 -0.498 1.00 0.00 N ATOM 958 CA VAL A 60 2.133 4.531 0.825 1.00 0.00 C ATOM 959 C VAL A 60 3.513 4.935 1.304 1.00 0.00 C ATOM 960 O VAL A 60 4.466 4.198 1.072 1.00 0.00 O ATOM 961 CB VAL A 60 1.428 3.646 1.854 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.345 2.742 1.263 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.364 2.937 2.828 1.00 0.00 C ATOM 0 H VAL A 60 2.269 2.940 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 60 1.443 5.369 0.730 1.00 0.00 H new ATOM 0 HB VAL A 60 0.884 4.354 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.106 2.147 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.422 3.355 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.790 2.079 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.778 2.332 3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.047 2.294 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.936 3.677 3.387 1.00 0.00 H new ATOM 973 N ARG A 61 3.623 6.090 1.960 1.00 0.00 N ATOM 974 CA ARG A 61 4.893 6.557 2.484 1.00 0.00 C ATOM 975 C ARG A 61 4.732 7.014 3.907 1.00 0.00 C ATOM 976 O ARG A 61 3.791 7.710 4.279 1.00 0.00 O ATOM 977 CB ARG A 61 5.529 7.609 1.569 1.00 0.00 C ATOM 978 CG ARG A 61 6.446 8.560 2.351 1.00 0.00 C ATOM 979 CD ARG A 61 7.179 9.514 1.410 1.00 0.00 C ATOM 980 NE ARG A 61 8.241 10.235 2.123 1.00 0.00 N ATOM 981 CZ ARG A 61 8.147 11.489 2.579 1.00 0.00 C ATOM 982 NH1 ARG A 61 7.032 12.200 2.449 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.195 12.042 3.174 1.00 0.00 N ATOM 0 H ARG A 61 2.839 6.718 2.139 1.00 0.00 H new ATOM 0 HA ARG A 61 5.598 5.726 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.102 7.112 0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.745 8.183 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.856 9.132 3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.170 7.982 2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.608 8.954 0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.472 10.226 0.984 1.00 0.00 H new ATOM 0 HE ARG A 61 9.119 9.741 2.283 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.217 11.792 1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.991 13.154 2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.060 11.512 3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.136 12.998 3.526 1.00 0.00 H new ATOM 997 N PHE A 62 5.712 6.584 4.694 1.00 0.00 N ATOM 998 CA PHE A 62 5.697 6.871 6.117 1.00 0.00 C ATOM 999 C PHE A 62 6.771 7.889 6.435 1.00 0.00 C ATOM 1000 O PHE A 62 7.874 7.806 5.901 1.00 0.00 O ATOM 1001 CB PHE A 62 5.918 5.593 6.916 1.00 0.00 C ATOM 1002 CG PHE A 62 4.661 4.775 7.102 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.741 4.599 6.051 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.408 4.204 8.353 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.556 3.881 6.256 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.244 3.459 8.557 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.327 3.303 7.514 1.00 0.00 C ATOM 0 H PHE A 62 6.515 6.043 4.373 1.00 0.00 H new ATOM 0 HA PHE A 62 4.725 7.280 6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.668 4.983 6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.323 5.851 7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.951 5.021 5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.112 4.339 9.161 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.833 3.774 5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.053 3.005 9.518 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.428 2.728 7.679 1.00 0.00 H new ATOM 1017 N HIS A 63 6.405 8.830 7.307 1.00 0.00 N ATOM 1018 CA HIS A 63 7.237 9.933 7.769 1.00 0.00 C ATOM 1019 C HIS A 63 8.107 9.512 8.957 1.00 0.00 C ATOM 1020 O HIS A 63 8.949 10.287 9.409 1.00 0.00 O ATOM 1021 CB HIS A 63 6.298 11.065 8.204 1.00 0.00 C ATOM 1022 CG HIS A 63 5.246 10.595 9.179 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.429 9.601 10.142 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.957 11.049 9.258 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.250 9.467 10.763 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.352 10.333 10.264 1.00 0.00 N ATOM 0 H HIS A 63 5.476 8.841 7.728 1.00 0.00 H new ATOM 0 HA HIS A 63 7.902 10.251 6.966 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.883 11.863 8.661 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.812 11.489 7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.504 11.818 8.650 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.049 8.761 11.555 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.387 10.441 10.578 1.00 0.00 H new ATOM 1034 N ASP A 64 7.906 8.291 9.460 1.00 0.00 N ATOM 1035 CA ASP A 64 8.606 7.784 10.626 1.00 0.00 C ATOM 1036 C ASP A 64 8.824 6.281 10.470 1.00 0.00 C ATOM 1037 O ASP A 64 7.872 5.499 10.464 1.00 0.00 O ATOM 1038 CB ASP A 64 7.797 8.092 11.886 1.00 0.00 C ATOM 1039 CG ASP A 64 8.557 7.729 13.163 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.528 6.947 13.069 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.156 8.240 14.233 1.00 0.00 O ATOM 0 H ASP A 64 7.244 7.626 9.060 1.00 0.00 H new ATOM 0 HA ASP A 64 9.578 8.269 10.717 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.545 9.152 11.904 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.857 7.541 11.856 1.00 0.00 H new ATOM 1046 N LYS A 65 10.092 5.890 10.343 1.00 0.00 N ATOM 1047 CA LYS A 65 10.496 4.508 10.159 1.00 0.00 C ATOM 1048 C LYS A 65 9.992 3.584 11.261 1.00 0.00 C ATOM 1049 O LYS A 65 9.857 2.389 11.031 1.00 0.00 O ATOM 1050 CB LYS A 65 12.019 4.445 10.061 1.00 0.00 C ATOM 1051 CG LYS A 65 12.681 4.756 11.405 1.00 0.00 C ATOM 1052 CD LYS A 65 14.111 5.268 11.213 1.00 0.00 C ATOM 1053 CE LYS A 65 14.982 4.269 10.452 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.309 4.843 10.165 1.00 0.00 N ATOM 0 H LYS A 65 10.877 6.541 10.366 1.00 0.00 H new ATOM 0 HA LYS A 65 10.040 4.150 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.322 3.453 9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.366 5.155 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.093 5.503 11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.693 3.859 12.024 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.087 6.214 10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.557 5.469 12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.094 3.357 11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.492 3.990 9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.884 4.147 9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.199 5.700 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.782 5.087 11.058 1.00 0.00 H new ATOM 1068 N ARG A 66 9.709 4.107 12.458 1.00 0.00 N ATOM 1069 CA ARG A 66 9.249 3.273 13.562 1.00 0.00 C ATOM 1070 C ARG A 66 7.844 2.761 13.278 1.00 0.00 C ATOM 1071 O ARG A 66 7.571 1.567 13.423 1.00 0.00 O ATOM 1072 CB ARG A 66 9.259 4.093 14.853 1.00 0.00 C ATOM 1073 CG ARG A 66 10.676 4.539 15.232 1.00 0.00 C ATOM 1074 CD ARG A 66 11.577 3.342 15.536 1.00 0.00 C ATOM 1075 NE ARG A 66 11.077 2.578 16.689 1.00 0.00 N ATOM 1076 CZ ARG A 66 11.066 1.244 16.778 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.514 0.482 15.786 1.00 0.00 N ATOM 1078 NH2 ARG A 66 10.598 0.662 17.882 1.00 0.00 N ATOM 0 H ARG A 66 9.791 5.099 12.682 1.00 0.00 H new ATOM 0 HA ARG A 66 9.915 2.417 13.672 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.622 4.969 14.732 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.835 3.500 15.664 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.106 5.121 14.417 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.632 5.193 16.103 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.631 2.693 14.662 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.590 3.689 15.738 1.00 0.00 H new ATOM 0 HE ARG A 66 10.711 3.106 17.481 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.876 0.913 14.935 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.496 -0.534 15.875 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.251 1.234 18.652 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.587 -0.355 17.957 1.00 0.00 H new ATOM 1092 N ASP A 67 6.949 3.660 12.870 1.00 0.00 N ATOM 1093 CA ASP A 67 5.594 3.274 12.517 1.00 0.00 C ATOM 1094 C ASP A 67 5.622 2.425 11.249 1.00 0.00 C ATOM 1095 O ASP A 67 4.741 1.596 11.033 1.00 0.00 O ATOM 1096 CB ASP A 67 4.732 4.518 12.295 1.00 0.00 C ATOM 1097 CG ASP A 67 4.604 5.367 13.556 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.478 4.773 14.649 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.633 6.611 13.420 1.00 0.00 O ATOM 0 H ASP A 67 7.142 4.657 12.778 1.00 0.00 H new ATOM 0 HA ASP A 67 5.163 2.693 13.332 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.166 5.120 11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.740 4.215 11.962 1.00 0.00 H new ATOM 1104 N ALA A 68 6.642 2.633 10.410 1.00 0.00 N ATOM 1105 CA ALA A 68 6.787 1.886 9.178 1.00 0.00 C ATOM 1106 C ALA A 68 7.333 0.486 9.435 1.00 0.00 C ATOM 1107 O ALA A 68 6.974 -0.447 8.723 1.00 0.00 O ATOM 1108 CB ALA A 68 7.750 2.652 8.280 1.00 0.00 C ATOM 0 H ALA A 68 7.379 3.320 10.573 1.00 0.00 H new ATOM 0 HA ALA A 68 5.810 1.776 8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.880 2.113 7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.346 3.644 8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.714 2.749 8.779 1.00 0.00 H new ATOM 1114 N GLU A 69 8.193 0.332 10.448 1.00 0.00 N ATOM 1115 CA GLU A 69 8.778 -0.951 10.794 1.00 0.00 C ATOM 1116 C GLU A 69 7.703 -1.942 11.195 1.00 0.00 C ATOM 1117 O GLU A 69 7.681 -3.059 10.687 1.00 0.00 O ATOM 1118 CB GLU A 69 9.738 -0.778 11.974 1.00 0.00 C ATOM 1119 CG GLU A 69 11.153 -0.465 11.485 1.00 0.00 C ATOM 1120 CD GLU A 69 12.115 -0.332 12.662 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.659 -1.374 13.091 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.303 0.812 13.135 1.00 0.00 O ATOM 0 H GLU A 69 8.498 1.100 11.047 1.00 0.00 H new ATOM 0 HA GLU A 69 9.310 -1.327 9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.386 0.026 12.620 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.749 -1.687 12.575 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.495 -1.256 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.147 0.460 10.908 1.00 0.00 H new ATOM 1129 N ASP A 70 6.808 -1.539 12.102 1.00 0.00 N ATOM 1130 CA ASP A 70 5.801 -2.476 12.583 1.00 0.00 C ATOM 1131 C ASP A 70 4.768 -2.762 11.492 1.00 0.00 C ATOM 1132 O ASP A 70 4.375 -3.909 11.290 1.00 0.00 O ATOM 1133 CB ASP A 70 5.122 -1.913 13.827 1.00 0.00 C ATOM 1134 CG ASP A 70 6.119 -1.596 14.940 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.971 -2.469 15.214 1.00 0.00 O ATOM 1136 OD2 ASP A 70 6.022 -0.485 15.506 1.00 0.00 O ATOM 0 H ASP A 70 6.762 -0.603 12.504 1.00 0.00 H new ATOM 0 HA ASP A 70 6.290 -3.415 12.842 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.577 -1.007 13.562 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.388 -2.631 14.194 1.00 0.00 H new ATOM 1141 N ALA A 71 4.324 -1.720 10.784 1.00 0.00 N ATOM 1142 CA ALA A 71 3.349 -1.887 9.722 1.00 0.00 C ATOM 1143 C ALA A 71 3.893 -2.820 8.646 1.00 0.00 C ATOM 1144 O ALA A 71 3.189 -3.721 8.205 1.00 0.00 O ATOM 1145 CB ALA A 71 2.996 -0.519 9.133 1.00 0.00 C ATOM 0 H ALA A 71 4.628 -0.758 10.932 1.00 0.00 H new ATOM 0 HA ALA A 71 2.444 -2.337 10.129 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.264 -0.644 8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.577 0.116 9.914 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.895 -0.053 8.730 1.00 0.00 H new ATOM 1151 N MET A 72 5.144 -2.614 8.227 1.00 0.00 N ATOM 1152 CA MET A 72 5.776 -3.437 7.208 1.00 0.00 C ATOM 1153 C MET A 72 5.940 -4.867 7.712 1.00 0.00 C ATOM 1154 O MET A 72 5.701 -5.815 6.966 1.00 0.00 O ATOM 1155 CB MET A 72 7.132 -2.810 6.888 1.00 0.00 C ATOM 1156 CG MET A 72 8.022 -3.725 6.054 1.00 0.00 C ATOM 1157 SD MET A 72 9.398 -2.863 5.253 1.00 0.00 S ATOM 1158 CE MET A 72 9.929 -1.797 6.619 1.00 0.00 C ATOM 0 H MET A 72 5.742 -1.871 8.588 1.00 0.00 H new ATOM 0 HA MET A 72 5.162 -3.479 6.308 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.977 -1.874 6.352 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.642 -2.564 7.819 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.420 -4.512 6.694 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.415 -4.211 5.290 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.918 -1.393 6.402 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.220 -0.977 6.737 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.968 -2.378 7.540 1.00 0.00 H new ATOM 1168 N ASP A 73 6.345 -5.035 8.974 1.00 0.00 N ATOM 1169 CA ASP A 73 6.492 -6.355 9.570 1.00 0.00 C ATOM 1170 C ASP A 73 5.130 -7.026 9.772 1.00 0.00 C ATOM 1171 O ASP A 73 5.064 -8.192 10.165 1.00 0.00 O ATOM 1172 CB ASP A 73 7.238 -6.220 10.900 1.00 0.00 C ATOM 1173 CG ASP A 73 7.566 -7.585 11.510 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.313 -8.344 10.854 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.070 -7.856 12.626 1.00 0.00 O ATOM 0 H ASP A 73 6.577 -4.265 9.601 1.00 0.00 H new ATOM 0 HA ASP A 73 7.066 -6.990 8.895 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.160 -5.661 10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.631 -5.645 11.600 1.00 0.00 H new ATOM 1180 N ALA A 74 4.039 -6.302 9.503 1.00 0.00 N ATOM 1181 CA ALA A 74 2.684 -6.802 9.663 1.00 0.00 C ATOM 1182 C ALA A 74 1.840 -6.616 8.399 1.00 0.00 C ATOM 1183 O ALA A 74 0.639 -6.873 8.428 1.00 0.00 O ATOM 1184 CB ALA A 74 2.058 -6.084 10.859 1.00 0.00 C ATOM 0 H ALA A 74 4.080 -5.341 9.164 1.00 0.00 H new ATOM 0 HA ALA A 74 2.716 -7.877 9.839 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.038 -6.440 11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.645 -6.289 11.754 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.045 -5.010 10.672 1.00 0.00 H new ATOM 1190 N MET A 75 2.448 -6.173 7.290 1.00 0.00 N ATOM 1191 CA MET A 75 1.721 -5.945 6.044 1.00 0.00 C ATOM 1192 C MET A 75 2.454 -6.472 4.814 1.00 0.00 C ATOM 1193 O MET A 75 1.834 -6.632 3.765 1.00 0.00 O ATOM 1194 CB MET A 75 1.454 -4.453 5.860 1.00 0.00 C ATOM 1195 CG MET A 75 0.315 -3.965 6.751 1.00 0.00 C ATOM 1196 SD MET A 75 -1.280 -4.745 6.399 1.00 0.00 S ATOM 1197 CE MET A 75 -1.305 -4.546 4.597 1.00 0.00 C ATOM 0 H MET A 75 3.445 -5.966 7.236 1.00 0.00 H new ATOM 0 HA MET A 75 0.786 -6.499 6.130 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.360 -3.891 6.088 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.210 -4.254 4.817 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.577 -4.151 7.793 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.214 -2.886 6.635 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.297 -4.791 4.218 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.063 -3.514 4.341 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.570 -5.213 4.147 1.00 0.00 H new ATOM 1207 N ASP A 76 3.756 -6.752 4.909 1.00 0.00 N ATOM 1208 CA ASP A 76 4.483 -7.326 3.787 1.00 0.00 C ATOM 1209 C ASP A 76 3.976 -8.741 3.508 1.00 0.00 C ATOM 1210 O ASP A 76 4.096 -9.630 4.352 1.00 0.00 O ATOM 1211 CB ASP A 76 5.982 -7.322 4.081 1.00 0.00 C ATOM 1212 CG ASP A 76 6.769 -7.772 2.856 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.458 -7.251 1.761 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.666 -8.625 3.028 1.00 0.00 O ATOM 0 H ASP A 76 4.319 -6.591 5.744 1.00 0.00 H new ATOM 0 HA ASP A 76 4.312 -6.723 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.298 -6.321 4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.195 -7.984 4.921 1.00 0.00 H new ATOM 1219 N GLY A 77 3.404 -8.947 2.322 1.00 0.00 N ATOM 1220 CA GLY A 77 2.847 -10.231 1.916 1.00 0.00 C ATOM 1221 C GLY A 77 1.591 -10.570 2.710 1.00 0.00 C ATOM 1222 O GLY A 77 1.280 -11.745 2.917 1.00 0.00 O ATOM 0 H GLY A 77 3.315 -8.220 1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.611 -10.207 0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.592 -11.014 2.059 1.00 0.00 H new ATOM 1226 N ALA A 78 0.862 -9.544 3.161 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.325 -9.714 3.991 1.00 0.00 C ATOM 1228 C ALA A 78 -1.586 -9.958 3.159 1.00 0.00 C ATOM 1229 O ALA A 78 -2.679 -10.028 3.717 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.485 -8.488 4.882 1.00 0.00 C ATOM 0 H ALA A 78 1.084 -8.569 2.957 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.191 -10.603 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.370 -8.605 5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.395 -8.382 5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.594 -7.599 4.261 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.423 -10.080 1.835 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.494 -10.341 0.873 1.00 0.00 C ATOM 1238 C VAL A 79 -3.823 -9.700 1.288 1.00 0.00 C ATOM 1239 O VAL A 79 -4.764 -10.369 1.711 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.566 -11.842 0.548 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.600 -12.724 1.792 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.704 -12.154 -0.404 1.00 0.00 C ATOM 0 H VAL A 79 -0.508 -9.996 1.392 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.256 -9.843 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.635 -12.088 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.651 -13.771 1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.698 -12.557 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.476 -12.474 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.723 -13.224 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.649 -11.855 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.559 -11.607 -1.336 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.867 -8.374 1.154 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.026 -7.543 1.453 1.00 0.00 C ATOM 1254 C LEU A 80 -6.224 -7.870 0.546 1.00 0.00 C ATOM 1255 O LEU A 80 -7.345 -7.473 0.862 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.539 -6.093 1.338 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.624 -5.025 1.197 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.032 -3.693 1.644 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -6.031 -4.867 -0.264 1.00 0.00 C ATOM 0 H LEU A 80 -3.068 -7.834 0.823 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.411 -7.730 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.943 -5.861 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.875 -6.022 0.477 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.489 -5.315 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.786 -2.911 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.710 -3.768 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.176 -3.446 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.804 -4.103 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.163 -4.570 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.417 -5.815 -0.639 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.010 -8.583 -0.566 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.097 -8.935 -1.479 1.00 0.00 C ATOM 1273 C ASP A 81 -6.959 -10.363 -2.010 1.00 0.00 C ATOM 1274 O ASP A 81 -7.934 -11.113 -1.996 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.120 -7.937 -2.638 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.253 -8.269 -3.609 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.395 -7.836 -3.335 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -7.968 -8.954 -4.616 1.00 0.00 O ATOM 0 H ASP A 81 -5.093 -8.926 -0.853 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.036 -8.889 -0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.249 -6.926 -2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.165 -7.959 -3.163 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.765 -10.741 -2.472 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.519 -12.101 -2.951 1.00 0.00 C ATOM 1285 C GLY A 82 -4.371 -12.182 -3.953 1.00 0.00 C ATOM 1286 O GLY A 82 -4.365 -13.057 -4.819 1.00 0.00 O ATOM 0 H GLY A 82 -4.954 -10.124 -2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.297 -12.745 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.427 -12.487 -3.415 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.400 -11.271 -3.839 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.246 -11.220 -4.726 1.00 0.00 C ATOM 1292 C ARG A 83 -0.938 -11.008 -3.964 1.00 0.00 C ATOM 1293 O ARG A 83 0.132 -11.269 -4.509 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.462 -10.107 -5.747 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.924 -8.826 -5.049 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.716 -7.654 -5.994 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.350 -7.910 -7.295 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.697 -8.032 -8.456 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -1.376 -7.885 -8.528 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.377 -8.305 -9.566 1.00 0.00 N ATOM 0 H ARG A 83 -3.398 -10.546 -3.122 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.156 -12.181 -5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.536 -9.919 -6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.206 -10.417 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.975 -8.905 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.361 -8.673 -4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.133 -6.748 -5.554 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.649 -7.479 -6.133 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.366 -8.002 -7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.840 -7.675 -7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.900 -7.983 -9.425 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.390 -8.420 -9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.886 -8.399 -10.455 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.039 -10.538 -2.712 1.00 0.00 N ATOM 1315 CA GLU A 84 0.021 -10.515 -1.712 1.00 0.00 C ATOM 1316 C GLU A 84 0.702 -9.151 -1.670 1.00 0.00 C ATOM 1317 O GLU A 84 1.666 -8.899 -2.388 1.00 0.00 O ATOM 1318 CB GLU A 84 1.000 -11.687 -1.882 1.00 0.00 C ATOM 1319 CG GLU A 84 1.164 -12.423 -0.551 1.00 0.00 C ATOM 1320 CD GLU A 84 2.336 -13.398 -0.602 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.452 -12.935 -0.919 1.00 0.00 O ATOM 1322 OE2 GLU A 84 2.110 -14.597 -0.323 1.00 0.00 O ATOM 0 H GLU A 84 -1.911 -10.145 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.433 -10.663 -0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.631 -12.373 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.967 -11.318 -2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.323 -11.701 0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.247 -12.964 -0.316 1.00 0.00 H new ATOM 1329 N LEU A 85 0.176 -8.268 -0.814 1.00 0.00 N ATOM 1330 CA LEU A 85 0.662 -6.909 -0.592 1.00 0.00 C ATOM 1331 C LEU A 85 2.184 -6.892 -0.445 1.00 0.00 C ATOM 1332 O LEU A 85 2.791 -7.900 -0.092 1.00 0.00 O ATOM 1333 CB LEU A 85 -0.059 -6.402 0.668 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.415 -4.910 0.725 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.811 -4.009 0.794 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.275 -4.493 -0.463 1.00 0.00 C ATOM 0 H LEU A 85 -0.633 -8.494 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 85 0.448 -6.256 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.981 -6.973 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.567 -6.632 1.530 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.981 -4.782 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.495 -2.967 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.387 -4.246 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.430 -4.168 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.507 -3.431 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.732 -4.682 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.201 -5.068 -0.461 1.00 0.00 H new ATOM 1348 N ARG A 86 2.816 -5.749 -0.716 1.00 0.00 N ATOM 1349 CA ARG A 86 4.261 -5.609 -0.652 1.00 0.00 C ATOM 1350 C ARG A 86 4.615 -4.343 0.111 1.00 0.00 C ATOM 1351 O ARG A 86 4.035 -3.287 -0.139 1.00 0.00 O ATOM 1352 CB ARG A 86 4.817 -5.527 -2.073 1.00 0.00 C ATOM 1353 CG ARG A 86 4.657 -6.836 -2.845 1.00 0.00 C ATOM 1354 CD ARG A 86 5.465 -7.943 -2.168 1.00 0.00 C ATOM 1355 NE ARG A 86 5.372 -9.203 -2.906 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.811 -10.316 -2.423 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.245 -10.336 -1.221 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.806 -11.430 -3.142 1.00 0.00 N ATOM 0 H ARG A 86 2.332 -4.893 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 86 4.693 -6.468 -0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.309 -4.728 -2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.873 -5.262 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.605 -7.117 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.994 -6.705 -3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.509 -7.640 -2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.103 -8.089 -1.150 1.00 0.00 H new ATOM 0 HE ARG A 86 5.760 -9.234 -3.849 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.233 -9.492 -0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.822 -11.196 -0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.232 -11.441 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.376 -12.276 -2.768 1.00 0.00 H new ATOM 1372 N VAL A 87 5.568 -4.451 1.038 1.00 0.00 N ATOM 1373 CA VAL A 87 5.982 -3.312 1.840 1.00 0.00 C ATOM 1374 C VAL A 87 7.501 -3.275 1.963 1.00 0.00 C ATOM 1375 O VAL A 87 8.148 -4.306 2.133 1.00 0.00 O ATOM 1376 CB VAL A 87 5.327 -3.384 3.217 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.568 -2.070 3.950 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.830 -3.682 3.130 1.00 0.00 C ATOM 0 H VAL A 87 6.064 -5.317 1.248 1.00 0.00 H new ATOM 0 HA VAL A 87 5.660 -2.393 1.349 1.00 0.00 H new ATOM 0 HB VAL A 87 5.779 -4.208 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.103 -2.112 4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.640 -1.907 4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.133 -1.250 3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.408 -3.724 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.335 -2.895 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.678 -4.640 2.633 1.00 0.00 H new ATOM 1388 N GLN A 88 8.060 -2.065 1.869 1.00 0.00 N ATOM 1389 CA GLN A 88 9.500 -1.854 1.857 1.00 0.00 C ATOM 1390 C GLN A 88 9.821 -0.370 2.017 1.00 0.00 C ATOM 1391 O GLN A 88 9.043 0.491 1.623 1.00 0.00 O ATOM 1392 CB GLN A 88 10.060 -2.351 0.519 1.00 0.00 C ATOM 1393 CG GLN A 88 9.252 -1.822 -0.669 1.00 0.00 C ATOM 1394 CD GLN A 88 9.831 -2.261 -2.010 1.00 0.00 C ATOM 1395 OE1 GLN A 88 10.993 -2.660 -2.103 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.032 -2.190 -3.069 1.00 0.00 N ATOM 0 H GLN A 88 7.518 -1.203 1.799 1.00 0.00 H new ATOM 0 HA GLN A 88 9.951 -2.402 2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.099 -2.036 0.421 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.055 -3.441 0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.223 -2.172 -0.589 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.223 -0.733 -0.628 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.074 -1.856 -2.964 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.376 -2.470 -3.987 1.00 0.00 H new ATOM 1405 N MET A 89 10.980 -0.062 2.602 1.00 0.00 N ATOM 1406 CA MET A 89 11.484 1.296 2.680 1.00 0.00 C ATOM 1407 C MET A 89 11.506 1.912 1.282 1.00 0.00 C ATOM 1408 O MET A 89 11.821 1.237 0.305 1.00 0.00 O ATOM 1409 CB MET A 89 12.876 1.262 3.308 1.00 0.00 C ATOM 1410 CG MET A 89 12.706 0.912 4.785 1.00 0.00 C ATOM 1411 SD MET A 89 12.185 2.325 5.792 1.00 0.00 S ATOM 1412 CE MET A 89 11.528 1.438 7.224 1.00 0.00 C ATOM 0 H MET A 89 11.592 -0.755 3.034 1.00 0.00 H new ATOM 0 HA MET A 89 10.839 1.916 3.302 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.504 0.524 2.809 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.370 2.227 3.197 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.970 0.113 4.881 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.649 0.525 5.172 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.422 2.127 8.062 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.554 1.017 6.976 1.00 0.00 H new ATOM 0 HE3 MET A 89 12.211 0.634 7.499 1.00 0.00 H new ATOM 1422 N ALA A 90 11.172 3.198 1.187 1.00 0.00 N ATOM 1423 CA ALA A 90 11.066 3.897 -0.086 1.00 0.00 C ATOM 1424 C ALA A 90 12.428 4.311 -0.643 1.00 0.00 C ATOM 1425 O ALA A 90 12.478 4.833 -1.751 1.00 0.00 O ATOM 1426 CB ALA A 90 10.165 5.119 0.097 1.00 0.00 C ATOM 0 H ALA A 90 10.967 3.784 1.996 1.00 0.00 H new ATOM 0 HA ALA A 90 10.632 3.213 -0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.077 5.652 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.177 4.797 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.598 5.781 0.847 1.00 0.00 H new