USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 719 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 Single : A 14 LYS NZ :NH3+ 167:sc= -0.608 (180deg=-0.688) USER MOD Single : A 16 MET CE :methyl -128:sc=-0.00399 (180deg=-0.792) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.54 K(o=-1.5,f=-6.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -2.83 K(o=-2.8,f=-6.6!) USER MOD Single : A 36 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.22) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0302) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -138:sc= -0.0858 (180deg=-1.18) USER MOD Single : A 48 ASN : amide:sc= 0.545 K(o=0.55,f=-5.1!) USER MOD Single : A 53 SER OG : rot 128:sc= 0.947 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -23:sc= 0.151 USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 0.201 (180deg=-0.136) USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.101) USER MOD Single : A 74 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc=-0.00174 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N LEU A 13 -5.767 -18.611 -0.736 1.00 0.00 N ATOM 228 CA LEU A 13 -6.239 -17.243 -0.964 1.00 0.00 C ATOM 229 C LEU A 13 -6.030 -16.710 -2.393 1.00 0.00 C ATOM 230 O LEU A 13 -5.761 -17.482 -3.312 1.00 0.00 O ATOM 231 CB LEU A 13 -5.727 -16.310 0.143 1.00 0.00 C ATOM 232 CG LEU A 13 -4.232 -15.959 0.094 1.00 0.00 C ATOM 233 CD1 LEU A 13 -4.078 -14.469 0.365 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.440 -16.709 1.169 1.00 0.00 C ATOM 0 HA LEU A 13 -7.326 -17.271 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.299 -15.383 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.939 -16.773 1.107 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.850 -16.240 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.022 -14.201 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.618 -13.903 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.483 -14.234 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.387 -16.435 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.823 -16.444 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.546 -17.783 1.016 1.00 0.00 H new ATOM 246 N LYS A 14 -6.228 -15.397 -2.591 1.00 0.00 N ATOM 247 CA LYS A 14 -6.211 -14.748 -3.902 1.00 0.00 C ATOM 248 C LYS A 14 -5.572 -13.353 -3.829 1.00 0.00 C ATOM 249 O LYS A 14 -5.182 -12.919 -2.746 1.00 0.00 O ATOM 250 CB LYS A 14 -7.645 -14.727 -4.442 1.00 0.00 C ATOM 251 CG LYS A 14 -8.644 -13.861 -3.674 1.00 0.00 C ATOM 252 CD LYS A 14 -8.419 -12.360 -3.870 1.00 0.00 C ATOM 253 CE LYS A 14 -9.662 -11.549 -3.523 1.00 0.00 C ATOM 254 NZ LYS A 14 -9.486 -10.190 -4.000 1.00 0.00 N ATOM 0 H LYS A 14 -6.408 -14.748 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.587 -15.310 -4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.617 -14.382 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.020 -15.750 -4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.655 -14.115 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.577 -14.096 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.587 -12.033 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.137 -12.167 -4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.544 -11.997 -3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.825 -11.552 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.398 -9.691 -3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.800 -9.696 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.134 -10.208 -4.978 1.00 0.00 H new ATOM 267 N ARG A 15 -5.497 -12.634 -4.962 1.00 0.00 N ATOM 268 CA ARG A 15 -4.987 -11.259 -5.010 1.00 0.00 C ATOM 269 C ARG A 15 -6.096 -10.234 -5.269 1.00 0.00 C ATOM 270 O ARG A 15 -6.821 -10.316 -6.260 1.00 0.00 O ATOM 271 CB ARG A 15 -3.828 -11.092 -6.013 1.00 0.00 C ATOM 272 CG ARG A 15 -4.228 -11.022 -7.492 1.00 0.00 C ATOM 273 CD ARG A 15 -3.003 -10.933 -8.413 1.00 0.00 C ATOM 274 NE ARG A 15 -2.401 -9.593 -8.420 1.00 0.00 N ATOM 275 CZ ARG A 15 -2.753 -8.593 -9.245 1.00 0.00 C ATOM 276 NH1 ARG A 15 -3.832 -8.693 -10.036 1.00 0.00 N ATOM 277 NH2 ARG A 15 -2.010 -7.480 -9.287 1.00 0.00 N ATOM 0 H ARG A 15 -5.790 -12.994 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.584 -11.057 -4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.283 -10.183 -5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.137 -11.925 -5.882 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.814 -11.904 -7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.868 -10.155 -7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.258 -11.661 -8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.295 -11.202 -9.428 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.658 -9.408 -7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.401 -9.539 -10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.083 -7.923 -10.656 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.183 -7.396 -8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.271 -6.716 -9.911 1.00 0.00 H new ATOM 291 N MET A 16 -6.177 -9.219 -4.412 1.00 0.00 N ATOM 292 CA MET A 16 -6.772 -7.940 -4.758 1.00 0.00 C ATOM 293 C MET A 16 -5.756 -7.138 -5.556 1.00 0.00 C ATOM 294 O MET A 16 -4.554 -7.195 -5.301 1.00 0.00 O ATOM 295 CB MET A 16 -7.155 -7.172 -3.496 1.00 0.00 C ATOM 296 CG MET A 16 -7.968 -5.897 -3.760 1.00 0.00 C ATOM 297 SD MET A 16 -8.034 -4.770 -2.350 1.00 0.00 S ATOM 298 CE MET A 16 -6.398 -4.015 -2.494 1.00 0.00 C ATOM 0 H MET A 16 -5.829 -9.266 -3.454 1.00 0.00 H new ATOM 0 HA MET A 16 -7.674 -8.104 -5.348 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.731 -7.829 -2.845 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.246 -6.905 -2.956 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.537 -5.372 -4.613 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.984 -6.176 -4.038 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.880 -4.085 -1.538 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.822 -4.537 -3.258 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.504 -2.967 -2.773 1.00 0.00 H new ATOM 308 N TYR A 17 -6.287 -6.353 -6.485 1.00 0.00 N ATOM 309 CA TYR A 17 -5.616 -5.280 -7.192 1.00 0.00 C ATOM 310 C TYR A 17 -6.500 -4.051 -7.043 1.00 0.00 C ATOM 311 O TYR A 17 -7.715 -4.159 -7.185 1.00 0.00 O ATOM 312 CB TYR A 17 -5.440 -5.682 -8.659 1.00 0.00 C ATOM 313 CG TYR A 17 -5.043 -4.570 -9.612 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.685 -4.319 -9.877 1.00 0.00 C ATOM 315 CD2 TYR A 17 -6.034 -3.911 -10.366 1.00 0.00 C ATOM 316 CE1 TYR A 17 -3.319 -3.499 -10.957 1.00 0.00 C ATOM 317 CE2 TYR A 17 -5.668 -3.079 -11.436 1.00 0.00 C ATOM 318 CZ TYR A 17 -4.310 -2.905 -11.758 1.00 0.00 C ATOM 319 OH TYR A 17 -3.953 -2.159 -12.844 1.00 0.00 O ATOM 0 H TYR A 17 -7.258 -6.459 -6.780 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.623 -5.072 -6.794 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.684 -6.466 -8.712 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.376 -6.117 -9.010 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.923 -4.757 -9.250 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.077 -4.046 -10.120 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.275 -3.325 -11.172 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.429 -2.573 -12.012 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.759 -1.822 -13.288 1.00 0.00 H new ATOM 329 N ALA A 18 -5.907 -2.892 -6.739 1.00 0.00 N ATOM 330 CA ALA A 18 -6.647 -1.647 -6.672 1.00 0.00 C ATOM 331 C ALA A 18 -5.803 -0.481 -7.166 1.00 0.00 C ATOM 332 O ALA A 18 -4.856 -0.053 -6.510 1.00 0.00 O ATOM 333 CB ALA A 18 -7.182 -1.393 -5.269 1.00 0.00 C ATOM 0 H ALA A 18 -4.912 -2.800 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.507 -1.737 -7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.732 -0.452 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.848 -2.207 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.350 -1.339 -4.567 1.00 0.00 H new ATOM 339 N ARG A 19 -6.200 0.039 -8.326 1.00 0.00 N ATOM 340 CA ARG A 19 -5.673 1.247 -8.921 1.00 0.00 C ATOM 341 C ARG A 19 -6.412 2.436 -8.313 1.00 0.00 C ATOM 342 O ARG A 19 -7.528 2.746 -8.730 1.00 0.00 O ATOM 343 CB ARG A 19 -5.908 1.185 -10.437 1.00 0.00 C ATOM 344 CG ARG A 19 -4.716 0.622 -11.212 1.00 0.00 C ATOM 345 CD ARG A 19 -3.545 1.609 -11.171 1.00 0.00 C ATOM 346 NE ARG A 19 -2.680 1.512 -12.353 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.775 0.547 -12.592 1.00 0.00 C ATOM 348 NH1 ARG A 19 -1.668 -0.512 -11.780 1.00 0.00 N ATOM 349 NH2 ARG A 19 -0.968 0.644 -13.657 1.00 0.00 N ATOM 0 H ARG A 19 -6.928 -0.394 -8.894 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.605 1.350 -8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.785 0.570 -10.637 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.131 2.187 -10.804 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.412 -0.333 -10.783 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.003 0.430 -12.246 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.934 2.624 -11.093 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.951 1.425 -10.275 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.774 2.244 -13.057 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.278 -0.595 -10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.976 -1.236 -11.975 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.042 1.447 -14.282 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.279 -0.085 -13.843 1.00 0.00 H new ATOM 363 N VAL A 20 -5.794 3.095 -7.327 1.00 0.00 N ATOM 364 CA VAL A 20 -6.372 4.255 -6.669 1.00 0.00 C ATOM 365 C VAL A 20 -5.927 5.507 -7.429 1.00 0.00 C ATOM 366 O VAL A 20 -4.762 5.896 -7.359 1.00 0.00 O ATOM 367 CB VAL A 20 -5.996 4.268 -5.178 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.691 5.430 -4.454 1.00 0.00 C ATOM 369 CG2 VAL A 20 -6.430 2.954 -4.512 1.00 0.00 C ATOM 0 H VAL A 20 -4.876 2.832 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.461 4.222 -6.693 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.915 4.386 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.412 5.421 -3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.384 6.374 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.772 5.320 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.159 2.974 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.510 2.837 -4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.930 2.117 -4.999 1.00 0.00 H new ATOM 379 N TYR A 21 -6.865 6.111 -8.169 1.00 0.00 N ATOM 380 CA TYR A 21 -6.635 7.302 -8.983 1.00 0.00 C ATOM 381 C TYR A 21 -7.069 8.551 -8.225 1.00 0.00 C ATOM 382 O TYR A 21 -8.023 8.498 -7.452 1.00 0.00 O ATOM 383 CB TYR A 21 -7.437 7.229 -10.289 1.00 0.00 C ATOM 384 CG TYR A 21 -7.136 6.031 -11.171 1.00 0.00 C ATOM 385 CD1 TYR A 21 -5.818 5.781 -11.596 1.00 0.00 C ATOM 386 CD2 TYR A 21 -8.173 5.179 -11.594 1.00 0.00 C ATOM 387 CE1 TYR A 21 -5.534 4.650 -12.380 1.00 0.00 C ATOM 388 CE2 TYR A 21 -7.892 4.066 -12.401 1.00 0.00 C ATOM 389 CZ TYR A 21 -6.569 3.792 -12.785 1.00 0.00 C ATOM 390 OH TYR A 21 -6.287 2.682 -13.527 1.00 0.00 O ATOM 0 H TYR A 21 -7.827 5.774 -8.217 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.569 7.350 -9.208 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.499 7.221 -10.044 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.250 8.137 -10.862 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.024 6.459 -11.319 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.191 5.383 -11.296 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.516 4.440 -12.672 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.693 3.420 -12.727 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.117 2.198 -13.721 1.00 0.00 H new ATOM 400 N GLY A 22 -6.399 9.675 -8.501 1.00 0.00 N ATOM 401 CA GLY A 22 -6.778 11.003 -8.044 1.00 0.00 C ATOM 402 C GLY A 22 -5.553 11.811 -7.644 1.00 0.00 C ATOM 403 O GLY A 22 -4.432 11.481 -8.033 1.00 0.00 O ATOM 0 H GLY A 22 -5.551 9.678 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.319 11.523 -8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.456 10.920 -7.195 1.00 0.00 H new ATOM 407 N LEU A 23 -5.767 12.838 -6.812 1.00 0.00 N ATOM 408 CA LEU A 23 -4.697 13.626 -6.215 1.00 0.00 C ATOM 409 C LEU A 23 -4.119 12.921 -4.978 1.00 0.00 C ATOM 410 O LEU A 23 -3.503 13.560 -4.131 1.00 0.00 O ATOM 411 CB LEU A 23 -5.222 15.033 -5.898 1.00 0.00 C ATOM 412 CG LEU A 23 -4.132 16.116 -5.778 1.00 0.00 C ATOM 413 CD1 LEU A 23 -3.607 16.546 -7.155 1.00 0.00 C ATOM 414 CD2 LEU A 23 -4.714 17.337 -5.058 1.00 0.00 C ATOM 0 H LEU A 23 -6.700 13.143 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.874 13.724 -6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.924 15.328 -6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.782 14.995 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.299 15.698 -5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.840 17.310 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.180 15.684 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.428 16.949 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.948 18.107 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.557 17.728 -5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.052 17.046 -4.063 1.00 0.00 H new ATOM 426 N VAL A 24 -4.288 11.597 -4.887 1.00 0.00 N ATOM 427 CA VAL A 24 -3.658 10.737 -3.891 1.00 0.00 C ATOM 428 C VAL A 24 -2.145 10.621 -4.111 1.00 0.00 C ATOM 429 O VAL A 24 -1.428 10.196 -3.204 1.00 0.00 O ATOM 430 CB VAL A 24 -4.335 9.353 -3.891 1.00 0.00 C ATOM 431 CG1 VAL A 24 -5.755 9.427 -3.317 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.394 8.741 -5.294 1.00 0.00 C ATOM 0 H VAL A 24 -4.889 11.081 -5.530 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.795 11.193 -2.911 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.721 8.713 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.205 8.434 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.714 9.793 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.356 10.107 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.879 7.766 -5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.962 9.397 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.382 8.624 -5.683 1.00 0.00 H new ATOM 442 N GLN A 25 -1.659 10.977 -5.308 1.00 0.00 N ATOM 443 CA GLN A 25 -0.279 10.758 -5.699 1.00 0.00 C ATOM 444 C GLN A 25 0.680 11.623 -4.886 1.00 0.00 C ATOM 445 O GLN A 25 0.590 12.850 -4.906 1.00 0.00 O ATOM 446 CB GLN A 25 -0.114 10.999 -7.202 1.00 0.00 C ATOM 447 CG GLN A 25 0.996 10.097 -7.746 1.00 0.00 C ATOM 448 CD GLN A 25 0.608 8.620 -7.733 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.569 8.281 -7.639 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.600 7.736 -7.820 1.00 0.00 N ATOM 0 H GLN A 25 -2.223 11.427 -6.029 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.024 9.720 -5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.051 10.792 -7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.129 12.045 -7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.237 10.397 -8.766 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.898 10.238 -7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.565 8.058 -7.897 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.395 6.737 -7.810 1.00 0.00 H new ATOM 459 N GLY A 26 1.607 10.967 -4.183 1.00 0.00 N ATOM 460 CA GLY A 26 2.637 11.607 -3.381 1.00 0.00 C ATOM 461 C GLY A 26 2.061 12.458 -2.246 1.00 0.00 C ATOM 462 O GLY A 26 2.621 13.502 -1.924 1.00 0.00 O ATOM 0 H GLY A 26 1.658 9.949 -4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.291 10.843 -2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.253 12.236 -4.024 1.00 0.00 H new ATOM 466 N VAL A 27 0.965 12.000 -1.627 1.00 0.00 N ATOM 467 CA VAL A 27 0.391 12.611 -0.436 1.00 0.00 C ATOM 468 C VAL A 27 -0.208 11.506 0.436 1.00 0.00 C ATOM 469 O VAL A 27 -1.365 11.120 0.284 1.00 0.00 O ATOM 470 CB VAL A 27 -0.578 13.757 -0.793 1.00 0.00 C ATOM 471 CG1 VAL A 27 -1.605 13.401 -1.871 1.00 0.00 C ATOM 472 CG2 VAL A 27 -1.305 14.301 0.444 1.00 0.00 C ATOM 0 H VAL A 27 0.449 11.181 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 27 1.163 13.103 0.155 1.00 0.00 H new ATOM 0 HB VAL A 27 0.066 14.532 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.246 14.262 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.087 13.124 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.214 12.563 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.977 15.106 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.881 13.501 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.574 14.683 1.157 1.00 0.00 H new ATOM 482 N GLY A 28 0.616 10.984 1.354 1.00 0.00 N ATOM 483 CA GLY A 28 0.221 9.956 2.299 1.00 0.00 C ATOM 484 C GLY A 28 -0.173 8.663 1.587 1.00 0.00 C ATOM 485 O GLY A 28 0.487 8.252 0.629 1.00 0.00 O ATOM 0 H GLY A 28 1.588 11.275 1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.043 9.758 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.617 10.313 2.898 1.00 0.00 H new ATOM 489 N PHE A 29 -1.247 8.031 2.083 1.00 0.00 N ATOM 490 CA PHE A 29 -1.797 6.769 1.602 1.00 0.00 C ATOM 491 C PHE A 29 -0.740 5.649 1.626 1.00 0.00 C ATOM 492 O PHE A 29 0.339 5.839 2.187 1.00 0.00 O ATOM 493 CB PHE A 29 -2.482 7.007 0.244 1.00 0.00 C ATOM 494 CG PHE A 29 -3.337 5.865 -0.285 1.00 0.00 C ATOM 495 CD1 PHE A 29 -4.313 5.271 0.538 1.00 0.00 C ATOM 496 CD2 PHE A 29 -3.047 5.296 -1.540 1.00 0.00 C ATOM 497 CE1 PHE A 29 -4.985 4.112 0.114 1.00 0.00 C ATOM 498 CE2 PHE A 29 -3.706 4.127 -1.955 1.00 0.00 C ATOM 499 CZ PHE A 29 -4.665 3.526 -1.121 1.00 0.00 C ATOM 0 H PHE A 29 -1.776 8.410 2.868 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.572 6.402 2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.109 7.895 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.712 7.229 -0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.546 5.708 1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.316 5.760 -2.185 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.748 3.672 0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.476 3.690 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.155 2.615 -1.430 1.00 0.00 H new ATOM 509 N ARG A 30 -1.070 4.469 1.079 1.00 0.00 N ATOM 510 CA ARG A 30 -0.275 3.247 1.126 1.00 0.00 C ATOM 511 C ARG A 30 -0.241 2.724 2.559 1.00 0.00 C ATOM 512 O ARG A 30 -0.953 1.779 2.884 1.00 0.00 O ATOM 513 CB ARG A 30 1.128 3.431 0.528 1.00 0.00 C ATOM 514 CG ARG A 30 1.072 3.815 -0.955 1.00 0.00 C ATOM 515 CD ARG A 30 2.425 4.385 -1.375 1.00 0.00 C ATOM 516 NE ARG A 30 2.535 5.782 -0.929 1.00 0.00 N ATOM 517 CZ ARG A 30 3.655 6.518 -0.900 1.00 0.00 C ATOM 518 NH1 ARG A 30 4.810 6.041 -1.383 1.00 0.00 N ATOM 519 NH2 ARG A 30 3.601 7.750 -0.376 1.00 0.00 N ATOM 0 H ARG A 30 -1.944 4.342 0.568 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.751 2.497 0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.661 4.203 1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.695 2.507 0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.827 2.942 -1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.285 4.551 -1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.230 3.791 -0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.533 4.329 -2.458 1.00 0.00 H new ATOM 0 HE ARG A 30 1.677 6.234 -0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.847 5.103 -1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.652 6.616 -1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.720 8.110 -0.009 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.441 8.328 -0.344 1.00 0.00 H new ATOM 533 N LYS A 31 0.559 3.363 3.419 1.00 0.00 N ATOM 534 CA LYS A 31 0.738 3.013 4.820 1.00 0.00 C ATOM 535 C LYS A 31 -0.600 2.748 5.519 1.00 0.00 C ATOM 536 O LYS A 31 -0.727 1.798 6.284 1.00 0.00 O ATOM 537 CB LYS A 31 1.467 4.166 5.523 1.00 0.00 C ATOM 538 CG LYS A 31 2.106 3.753 6.858 1.00 0.00 C ATOM 539 CD LYS A 31 3.367 2.901 6.653 1.00 0.00 C ATOM 540 CE LYS A 31 4.037 2.592 7.995 1.00 0.00 C ATOM 541 NZ LYS A 31 5.233 1.802 7.774 1.00 0.00 N ATOM 0 H LYS A 31 1.119 4.169 3.141 1.00 0.00 H new ATOM 0 HA LYS A 31 1.322 2.094 4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.241 4.555 4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.762 4.978 5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.361 4.646 7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.382 3.192 7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.105 1.971 6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.067 3.429 6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.292 3.520 8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.346 2.050 8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.685 1.594 8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.978 0.911 7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.894 2.334 7.173 1.00 0.00 H new ATOM 554 N PHE A 32 -1.601 3.591 5.238 1.00 0.00 N ATOM 555 CA PHE A 32 -2.946 3.473 5.790 1.00 0.00 C ATOM 556 C PHE A 32 -3.603 2.155 5.373 1.00 0.00 C ATOM 557 O PHE A 32 -4.078 1.404 6.221 1.00 0.00 O ATOM 558 CB PHE A 32 -3.792 4.679 5.354 1.00 0.00 C ATOM 559 CG PHE A 32 -5.230 4.751 5.852 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.654 4.056 7.005 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.168 5.516 5.129 1.00 0.00 C ATOM 562 CE1 PHE A 32 -6.974 4.182 7.467 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.483 5.656 5.604 1.00 0.00 C ATOM 564 CZ PHE A 32 -7.886 4.999 6.778 1.00 0.00 C ATOM 0 H PHE A 32 -1.492 4.387 4.609 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.879 3.467 6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.279 5.584 5.679 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.813 4.698 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.958 3.423 7.536 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.875 5.996 4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.289 3.650 8.353 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.187 6.272 5.064 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.893 5.121 7.150 1.00 0.00 H new ATOM 574 N VAL A 33 -3.651 1.872 4.067 1.00 0.00 N ATOM 575 CA VAL A 33 -4.225 0.623 3.570 1.00 0.00 C ATOM 576 C VAL A 33 -3.372 -0.587 3.981 1.00 0.00 C ATOM 577 O VAL A 33 -3.889 -1.701 4.042 1.00 0.00 O ATOM 578 CB VAL A 33 -4.569 0.727 2.068 1.00 0.00 C ATOM 579 CG1 VAL A 33 -3.368 1.040 1.175 1.00 0.00 C ATOM 580 CG2 VAL A 33 -5.269 -0.535 1.551 1.00 0.00 C ATOM 0 H VAL A 33 -3.299 2.492 3.338 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.186 0.445 4.054 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.251 1.575 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.692 1.097 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.933 1.994 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.622 0.253 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.493 -0.419 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.616 -1.397 1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.197 -0.688 2.103 1.00 0.00 H new ATOM 590 N GLN A 34 -2.103 -0.364 4.354 1.00 0.00 N ATOM 591 CA GLN A 34 -1.290 -1.380 5.001 1.00 0.00 C ATOM 592 C GLN A 34 -1.805 -1.667 6.413 1.00 0.00 C ATOM 593 O GLN A 34 -2.076 -2.827 6.685 1.00 0.00 O ATOM 594 CB GLN A 34 0.209 -1.038 4.981 1.00 0.00 C ATOM 595 CG GLN A 34 0.941 -1.577 3.747 1.00 0.00 C ATOM 596 CD GLN A 34 0.463 -0.907 2.468 1.00 0.00 C ATOM 597 OE1 GLN A 34 1.084 0.033 1.980 1.00 0.00 O ATOM 598 NE2 GLN A 34 -0.648 -1.386 1.919 1.00 0.00 N ATOM 0 H GLN A 34 -1.622 0.524 4.212 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.389 -2.297 4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.327 0.045 5.020 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.678 -1.443 5.878 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.013 -1.417 3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.785 -2.653 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.136 -2.169 2.355 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.013 -0.971 1.062 1.00 0.00 H new ATOM 607 N ILE A 35 -1.950 -0.669 7.302 1.00 0.00 N ATOM 608 CA ILE A 35 -2.326 -0.871 8.713 1.00 0.00 C ATOM 609 C ILE A 35 -3.331 -2.009 8.904 1.00 0.00 C ATOM 610 O ILE A 35 -3.055 -2.945 9.650 1.00 0.00 O ATOM 611 CB ILE A 35 -2.849 0.436 9.353 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.750 1.497 9.543 1.00 0.00 C ATOM 613 CG2 ILE A 35 -3.553 0.191 10.700 1.00 0.00 C ATOM 614 CD1 ILE A 35 -0.760 1.200 10.674 1.00 0.00 C ATOM 0 H ILE A 35 -1.808 0.311 7.059 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.413 -1.165 9.230 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.576 0.821 8.638 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.195 1.596 8.610 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.223 2.460 9.737 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.901 1.141 11.107 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.404 -0.473 10.550 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.853 -0.268 11.398 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.023 2.001 10.732 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.298 1.132 11.620 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.254 0.255 10.476 1.00 0.00 H new ATOM 626 N HIS A 36 -4.475 -1.940 8.218 1.00 0.00 N ATOM 627 CA HIS A 36 -5.530 -2.935 8.344 1.00 0.00 C ATOM 628 C HIS A 36 -5.077 -4.281 7.774 1.00 0.00 C ATOM 629 O HIS A 36 -5.162 -5.291 8.468 1.00 0.00 O ATOM 630 CB HIS A 36 -6.813 -2.407 7.696 1.00 0.00 C ATOM 631 CG HIS A 36 -7.555 -1.443 8.588 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.840 -1.737 9.047 1.00 0.00 N ATOM 633 CD2 HIS A 36 -7.171 -0.230 9.104 1.00 0.00 C ATOM 634 CE1 HIS A 36 -9.179 -0.698 9.815 1.00 0.00 C ATOM 635 NE2 HIS A 36 -8.214 0.232 9.881 1.00 0.00 N ATOM 0 H HIS A 36 -4.691 -1.190 7.561 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.748 -3.113 9.397 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.565 -1.911 6.757 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.465 -3.246 7.451 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.229 0.269 8.934 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.126 -0.615 10.327 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.245 1.108 10.403 1.00 0.00 H new ATOM 643 N ALA A 37 -4.575 -4.288 6.532 1.00 0.00 N ATOM 644 CA ALA A 37 -3.985 -5.456 5.883 1.00 0.00 C ATOM 645 C ALA A 37 -3.022 -6.194 6.827 1.00 0.00 C ATOM 646 O ALA A 37 -3.296 -7.319 7.246 1.00 0.00 O ATOM 647 CB ALA A 37 -3.321 -5.006 4.574 1.00 0.00 C ATOM 0 H ALA A 37 -4.570 -3.458 5.939 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.761 -6.182 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.875 -5.868 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.070 -4.558 3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.545 -4.272 4.793 1.00 0.00 H new ATOM 653 N ILE A 38 -1.917 -5.529 7.177 1.00 0.00 N ATOM 654 CA ILE A 38 -0.892 -5.948 8.126 1.00 0.00 C ATOM 655 C ILE A 38 -1.507 -6.527 9.401 1.00 0.00 C ATOM 656 O ILE A 38 -1.064 -7.582 9.850 1.00 0.00 O ATOM 657 CB ILE A 38 0.033 -4.743 8.419 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.149 -4.614 7.366 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.718 -4.815 9.792 1.00 0.00 C ATOM 660 CD1 ILE A 38 0.677 -4.604 5.909 1.00 0.00 C ATOM 0 H ILE A 38 -1.704 -4.617 6.772 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.299 -6.752 7.691 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.633 -3.880 8.395 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.702 -3.694 7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.848 -5.440 7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.351 -3.938 9.929 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.039 -4.842 10.575 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.329 -5.716 9.847 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.539 -4.510 5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.152 -5.534 5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.004 -3.761 5.750 1.00 0.00 H new ATOM 672 N ARG A 39 -2.494 -5.835 9.992 1.00 0.00 N ATOM 673 CA ARG A 39 -3.055 -6.199 11.283 1.00 0.00 C ATOM 674 C ARG A 39 -3.509 -7.658 11.279 1.00 0.00 C ATOM 675 O ARG A 39 -3.188 -8.405 12.202 1.00 0.00 O ATOM 676 CB ARG A 39 -4.218 -5.256 11.619 1.00 0.00 C ATOM 677 CG ARG A 39 -4.644 -5.418 13.073 1.00 0.00 C ATOM 678 CD ARG A 39 -5.772 -4.437 13.410 1.00 0.00 C ATOM 679 NE ARG A 39 -6.233 -4.599 14.795 1.00 0.00 N ATOM 680 CZ ARG A 39 -7.102 -5.531 15.225 1.00 0.00 C ATOM 681 NH1 ARG A 39 -7.625 -6.430 14.379 1.00 0.00 N ATOM 682 NH2 ARG A 39 -7.449 -5.561 16.518 1.00 0.00 N ATOM 0 H ARG A 39 -2.920 -5.006 9.578 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.289 -6.096 12.052 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.920 -4.224 11.436 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.063 -5.465 10.963 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.978 -6.441 13.249 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.792 -5.243 13.730 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.424 -3.415 13.259 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.607 -4.593 12.727 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.863 -3.950 15.489 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.365 -6.414 13.393 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.283 -7.130 14.722 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.055 -4.881 17.168 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.107 -6.264 16.853 1.00 0.00 H new ATOM 696 N LEU A 40 -4.229 -8.051 10.221 1.00 0.00 N ATOM 697 CA LEU A 40 -4.691 -9.423 10.021 1.00 0.00 C ATOM 698 C LEU A 40 -3.830 -10.172 8.993 1.00 0.00 C ATOM 699 O LEU A 40 -4.349 -10.996 8.243 1.00 0.00 O ATOM 700 CB LEU A 40 -6.177 -9.434 9.646 1.00 0.00 C ATOM 701 CG LEU A 40 -7.070 -8.671 10.638 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.531 -8.923 10.260 1.00 0.00 C ATOM 703 CD2 LEU A 40 -6.873 -9.123 12.091 1.00 0.00 C ATOM 0 H LEU A 40 -4.508 -7.416 9.474 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.578 -9.961 10.962 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.296 -8.998 8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.519 -10.467 9.583 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.799 -7.617 10.578 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.183 -8.390 10.952 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.711 -8.568 9.245 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.741 -9.991 10.313 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.530 -8.548 12.743 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.112 -10.183 12.178 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.836 -8.960 12.386 1.00 0.00 H new ATOM 715 N GLY A 41 -2.514 -9.924 8.996 1.00 0.00 N ATOM 716 CA GLY A 41 -1.514 -10.708 8.281 1.00 0.00 C ATOM 717 C GLY A 41 -1.804 -10.862 6.788 1.00 0.00 C ATOM 718 O GLY A 41 -2.082 -11.968 6.328 1.00 0.00 O ATOM 0 H GLY A 41 -2.109 -9.145 9.515 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.539 -10.237 8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.450 -11.698 8.733 1.00 0.00 H new ATOM 722 N ILE A 42 -1.708 -9.760 6.033 1.00 0.00 N ATOM 723 CA ILE A 42 -1.882 -9.725 4.586 1.00 0.00 C ATOM 724 C ILE A 42 -0.571 -9.276 3.938 1.00 0.00 C ATOM 725 O ILE A 42 0.114 -8.394 4.455 1.00 0.00 O ATOM 726 CB ILE A 42 -3.045 -8.784 4.232 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.396 -9.292 4.754 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.134 -8.458 2.737 1.00 0.00 C ATOM 729 CD1 ILE A 42 -4.921 -10.545 4.054 1.00 0.00 C ATOM 0 H ILE A 42 -1.501 -8.844 6.430 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.129 -10.716 4.205 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.813 -7.853 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.303 -9.500 5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.134 -8.497 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.977 -7.790 2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.213 -7.973 2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.276 -9.379 2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.879 -10.830 4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.051 -10.341 2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.208 -11.359 4.182 1.00 0.00 H new ATOM 741 N LYS A 43 -0.246 -9.892 2.796 1.00 0.00 N ATOM 742 CA LYS A 43 0.934 -9.596 1.987 1.00 0.00 C ATOM 743 C LYS A 43 0.500 -8.740 0.788 1.00 0.00 C ATOM 744 O LYS A 43 -0.692 -8.507 0.618 1.00 0.00 O ATOM 745 CB LYS A 43 1.604 -10.903 1.552 1.00 0.00 C ATOM 746 CG LYS A 43 1.861 -11.828 2.754 1.00 0.00 C ATOM 747 CD LYS A 43 2.689 -13.056 2.353 1.00 0.00 C ATOM 748 CE LYS A 43 2.769 -14.093 3.480 1.00 0.00 C ATOM 749 NZ LYS A 43 3.466 -13.553 4.632 1.00 0.00 N ATOM 0 H LYS A 43 -0.820 -10.636 2.399 1.00 0.00 H new ATOM 0 HA LYS A 43 1.670 -9.034 2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.971 -11.414 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.547 -10.682 1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.383 -11.275 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.909 -12.152 3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.249 -13.516 1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.696 -12.740 2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.764 -14.400 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.284 -14.985 3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.567 -14.294 5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.408 -13.220 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.923 -12.758 5.025 1.00 0.00 H new ATOM 762 N GLY A 44 1.431 -8.251 -0.040 1.00 0.00 N ATOM 763 CA GLY A 44 1.075 -7.387 -1.166 1.00 0.00 C ATOM 764 C GLY A 44 2.225 -6.472 -1.580 1.00 0.00 C ATOM 765 O GLY A 44 3.381 -6.813 -1.347 1.00 0.00 O ATOM 0 H GLY A 44 2.430 -8.439 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.780 -8.003 -2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.210 -6.781 -0.897 1.00 0.00 H new ATOM 769 N TYR A 45 1.908 -5.300 -2.158 1.00 0.00 N ATOM 770 CA TYR A 45 2.868 -4.214 -2.359 1.00 0.00 C ATOM 771 C TYR A 45 2.145 -2.942 -2.832 1.00 0.00 C ATOM 772 O TYR A 45 1.168 -3.030 -3.575 1.00 0.00 O ATOM 773 CB TYR A 45 3.986 -4.609 -3.332 1.00 0.00 C ATOM 774 CG TYR A 45 5.268 -3.832 -3.147 1.00 0.00 C ATOM 775 CD1 TYR A 45 5.376 -2.536 -3.671 1.00 0.00 C ATOM 776 CD2 TYR A 45 6.323 -4.372 -2.386 1.00 0.00 C ATOM 777 CE1 TYR A 45 6.489 -1.746 -3.355 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.464 -3.597 -2.120 1.00 0.00 C ATOM 779 CZ TYR A 45 7.524 -2.263 -2.559 1.00 0.00 C ATOM 780 OH TYR A 45 8.585 -1.480 -2.206 1.00 0.00 O ATOM 0 H TYR A 45 0.971 -5.084 -2.499 1.00 0.00 H new ATOM 0 HA TYR A 45 3.342 -4.008 -1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.198 -5.672 -3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.632 -4.467 -4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.603 -2.147 -4.317 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.255 -5.381 -2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.551 -0.734 -3.726 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.294 -4.026 -1.579 1.00 0.00 H new ATOM 0 HH TYR A 45 9.205 -2.000 -1.653 1.00 0.00 H new ATOM 790 N ALA A 46 2.609 -1.775 -2.361 1.00 0.00 N ATOM 791 CA ALA A 46 1.882 -0.506 -2.439 1.00 0.00 C ATOM 792 C ALA A 46 2.705 0.584 -3.129 1.00 0.00 C ATOM 793 O ALA A 46 3.452 1.302 -2.470 1.00 0.00 O ATOM 794 CB ALA A 46 1.529 -0.083 -1.011 1.00 0.00 C ATOM 0 H ALA A 46 3.518 -1.689 -1.907 1.00 0.00 H new ATOM 0 HA ALA A 46 0.982 -0.643 -3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.985 0.861 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.906 -0.848 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.444 0.040 -0.431 1.00 0.00 H new ATOM 800 N LYS A 47 2.584 0.705 -4.455 1.00 0.00 N ATOM 801 CA LYS A 47 3.574 1.388 -5.273 1.00 0.00 C ATOM 802 C LYS A 47 3.032 2.695 -5.847 1.00 0.00 C ATOM 803 O LYS A 47 2.257 2.687 -6.803 1.00 0.00 O ATOM 804 CB LYS A 47 4.065 0.399 -6.334 1.00 0.00 C ATOM 805 CG LYS A 47 4.994 0.996 -7.390 1.00 0.00 C ATOM 806 CD LYS A 47 5.756 -0.074 -8.188 1.00 0.00 C ATOM 807 CE LYS A 47 4.848 -1.017 -8.993 1.00 0.00 C ATOM 808 NZ LYS A 47 4.366 -2.118 -8.179 1.00 0.00 N ATOM 0 H LYS A 47 1.796 0.331 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 47 4.427 1.697 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.585 -0.419 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.199 -0.033 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.409 1.607 -8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.710 1.659 -6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.447 0.420 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.358 -0.666 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.000 -0.457 -9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.397 -1.410 -9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.407 -3.000 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.962 -2.210 -7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.383 -1.934 -7.892 1.00 0.00 H new ATOM 821 N ASN A 48 3.478 3.816 -5.266 1.00 0.00 N ATOM 822 CA ASN A 48 3.189 5.156 -5.754 1.00 0.00 C ATOM 823 C ASN A 48 4.120 5.484 -6.917 1.00 0.00 C ATOM 824 O ASN A 48 5.243 5.916 -6.677 1.00 0.00 O ATOM 825 CB ASN A 48 3.333 6.174 -4.610 1.00 0.00 C ATOM 826 CG ASN A 48 3.020 7.612 -5.020 1.00 0.00 C ATOM 827 OD1 ASN A 48 1.949 8.123 -4.705 1.00 0.00 O ATOM 828 ND2 ASN A 48 3.959 8.284 -5.690 1.00 0.00 N ATOM 0 H ASN A 48 4.060 3.809 -4.428 1.00 0.00 H new ATOM 0 HA ASN A 48 2.162 5.206 -6.115 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.669 5.886 -3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.351 6.130 -4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.798 9.255 -5.957 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.837 7.826 -5.935 1.00 0.00 H new ATOM 835 N LEU A 49 3.656 5.312 -8.160 1.00 0.00 N ATOM 836 CA LEU A 49 4.395 5.663 -9.364 1.00 0.00 C ATOM 837 C LEU A 49 4.389 7.190 -9.496 1.00 0.00 C ATOM 838 O LEU A 49 3.359 7.745 -9.871 1.00 0.00 O ATOM 839 CB LEU A 49 3.719 5.032 -10.589 1.00 0.00 C ATOM 840 CG LEU A 49 3.555 3.509 -10.495 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.635 3.034 -11.625 1.00 0.00 C ATOM 842 CD2 LEU A 49 4.903 2.785 -10.583 1.00 0.00 C ATOM 0 H LEU A 49 2.736 4.916 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 49 5.418 5.293 -9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.737 5.485 -10.723 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.304 5.270 -11.477 1.00 0.00 H new ATOM 0 HG LEU A 49 3.118 3.271 -9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.514 1.952 -11.565 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.661 3.514 -11.528 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.075 3.297 -12.587 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.743 1.709 -10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.380 3.019 -11.534 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.545 3.111 -9.765 1.00 0.00 H new ATOM 854 N PRO A 50 5.476 7.902 -9.163 1.00 0.00 N ATOM 855 CA PRO A 50 5.430 9.345 -9.008 1.00 0.00 C ATOM 856 C PRO A 50 5.115 10.017 -10.344 1.00 0.00 C ATOM 857 O PRO A 50 5.625 9.603 -11.384 1.00 0.00 O ATOM 858 CB PRO A 50 6.799 9.735 -8.457 1.00 0.00 C ATOM 859 CG PRO A 50 7.720 8.652 -9.018 1.00 0.00 C ATOM 860 CD PRO A 50 6.829 7.410 -8.970 1.00 0.00 C ATOM 0 HA PRO A 50 4.641 9.671 -8.331 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.098 10.730 -8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.807 9.746 -7.367 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.045 8.880 -10.033 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.620 8.531 -8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.104 6.698 -9.749 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.927 6.892 -8.016 1.00 0.00 H new ATOM 868 N ASP A 51 4.222 11.013 -10.301 1.00 0.00 N ATOM 869 CA ASP A 51 3.596 11.613 -11.472 1.00 0.00 C ATOM 870 C ASP A 51 2.900 10.533 -12.310 1.00 0.00 C ATOM 871 O ASP A 51 3.147 10.396 -13.507 1.00 0.00 O ATOM 872 CB ASP A 51 4.618 12.448 -12.262 1.00 0.00 C ATOM 873 CG ASP A 51 3.953 13.283 -13.354 1.00 0.00 C ATOM 874 OD1 ASP A 51 4.265 13.106 -14.528 1.00 0.00 O ATOM 875 OD2 ASP A 51 3.036 14.199 -12.928 1.00 0.00 O ATOM 0 H ASP A 51 3.910 11.431 -9.424 1.00 0.00 H new ATOM 0 HA ASP A 51 2.818 12.310 -11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.154 13.106 -11.578 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.357 11.785 -12.712 1.00 0.00 H new ATOM 881 N GLY A 52 2.031 9.755 -11.655 1.00 0.00 N ATOM 882 CA GLY A 52 1.301 8.653 -12.256 1.00 0.00 C ATOM 883 C GLY A 52 0.177 8.222 -11.318 1.00 0.00 C ATOM 884 O GLY A 52 -0.576 9.069 -10.840 1.00 0.00 O ATOM 0 H GLY A 52 1.816 9.885 -10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.890 8.956 -13.219 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.973 7.816 -12.445 1.00 0.00 H new ATOM 888 N SER A 53 0.067 6.911 -11.065 1.00 0.00 N ATOM 889 CA SER A 53 -0.976 6.314 -10.237 1.00 0.00 C ATOM 890 C SER A 53 -0.349 5.548 -9.072 1.00 0.00 C ATOM 891 O SER A 53 0.758 5.026 -9.192 1.00 0.00 O ATOM 892 CB SER A 53 -1.830 5.380 -11.099 1.00 0.00 C ATOM 893 OG SER A 53 -2.916 4.873 -10.349 1.00 0.00 O ATOM 0 H SER A 53 0.720 6.224 -11.442 1.00 0.00 H new ATOM 0 HA SER A 53 -1.610 7.099 -9.825 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.202 5.918 -11.971 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.219 4.556 -11.469 1.00 0.00 H new ATOM 0 HG SER A 53 -3.752 5.030 -10.836 1.00 0.00 H new ATOM 899 N VAL A 54 -1.069 5.477 -7.947 1.00 0.00 N ATOM 900 CA VAL A 54 -0.669 4.705 -6.783 1.00 0.00 C ATOM 901 C VAL A 54 -1.428 3.387 -6.795 1.00 0.00 C ATOM 902 O VAL A 54 -2.574 3.298 -6.357 1.00 0.00 O ATOM 903 CB VAL A 54 -0.758 5.528 -5.486 1.00 0.00 C ATOM 904 CG1 VAL A 54 -2.120 6.183 -5.230 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.335 4.699 -4.266 1.00 0.00 C ATOM 0 H VAL A 54 -1.957 5.964 -7.826 1.00 0.00 H new ATOM 0 HA VAL A 54 0.390 4.451 -6.826 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.056 6.348 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.085 6.741 -4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.357 6.863 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.888 5.412 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.410 5.311 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.989 3.832 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.695 4.364 -4.393 1.00 0.00 H new ATOM 915 N GLU A 55 -0.766 2.372 -7.358 1.00 0.00 N ATOM 916 CA GLU A 55 -1.327 1.047 -7.518 1.00 0.00 C ATOM 917 C GLU A 55 -1.075 0.244 -6.249 1.00 0.00 C ATOM 918 O GLU A 55 0.011 0.314 -5.673 1.00 0.00 O ATOM 919 CB GLU A 55 -0.772 0.379 -8.785 1.00 0.00 C ATOM 920 CG GLU A 55 0.636 -0.226 -8.666 1.00 0.00 C ATOM 921 CD GLU A 55 0.607 -1.657 -8.122 1.00 0.00 C ATOM 922 OE1 GLU A 55 -0.014 -2.518 -8.741 1.00 0.00 O ATOM 923 OE2 GLU A 55 1.294 -1.886 -6.966 1.00 0.00 O ATOM 0 H GLU A 55 0.185 2.459 -7.716 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.406 1.102 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.461 -0.410 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.762 1.118 -9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.116 -0.221 -9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.243 0.398 -8.010 1.00 0.00 H new ATOM 931 N VAL A 56 -2.090 -0.505 -5.814 1.00 0.00 N ATOM 932 CA VAL A 56 -2.009 -1.379 -4.656 1.00 0.00 C ATOM 933 C VAL A 56 -2.280 -2.812 -5.102 1.00 0.00 C ATOM 934 O VAL A 56 -3.133 -3.044 -5.957 1.00 0.00 O ATOM 935 CB VAL A 56 -3.013 -0.930 -3.582 1.00 0.00 C ATOM 936 CG1 VAL A 56 -2.936 -1.843 -2.348 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.719 0.511 -3.142 1.00 0.00 C ATOM 0 H VAL A 56 -3.003 -0.517 -6.268 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.013 -1.327 -4.217 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.010 -0.989 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.655 -1.507 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.167 -2.868 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.931 -1.803 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.439 0.813 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.711 0.567 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.798 1.177 -4.001 1.00 0.00 H new ATOM 947 N VAL A 57 -1.573 -3.765 -4.491 1.00 0.00 N ATOM 948 CA VAL A 57 -1.895 -5.183 -4.535 1.00 0.00 C ATOM 949 C VAL A 57 -1.928 -5.662 -3.085 1.00 0.00 C ATOM 950 O VAL A 57 -1.060 -5.267 -2.312 1.00 0.00 O ATOM 951 CB VAL A 57 -0.848 -5.937 -5.371 1.00 0.00 C ATOM 952 CG1 VAL A 57 -1.136 -7.444 -5.407 1.00 0.00 C ATOM 953 CG2 VAL A 57 -0.838 -5.410 -6.811 1.00 0.00 C ATOM 0 H VAL A 57 -0.740 -3.561 -3.939 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.858 -5.370 -5.011 1.00 0.00 H new ATOM 0 HB VAL A 57 0.121 -5.771 -4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.376 -7.945 -6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.119 -7.842 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.118 -7.616 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.092 -5.953 -7.392 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.822 -5.554 -7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.593 -4.348 -6.808 1.00 0.00 H new ATOM 963 N ALA A 58 -2.925 -6.479 -2.717 1.00 0.00 N ATOM 964 CA ALA A 58 -3.084 -7.022 -1.369 1.00 0.00 C ATOM 965 C ALA A 58 -3.579 -8.459 -1.476 1.00 0.00 C ATOM 966 O ALA A 58 -4.432 -8.737 -2.308 1.00 0.00 O ATOM 967 CB ALA A 58 -4.091 -6.193 -0.572 1.00 0.00 C ATOM 0 H ALA A 58 -3.654 -6.784 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.125 -6.990 -0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.196 -6.612 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.739 -5.164 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.057 -6.211 -1.076 1.00 0.00 H new ATOM 973 N GLU A 59 -3.050 -9.374 -0.662 1.00 0.00 N ATOM 974 CA GLU A 59 -3.268 -10.797 -0.838 1.00 0.00 C ATOM 975 C GLU A 59 -4.155 -11.313 0.286 1.00 0.00 C ATOM 976 O GLU A 59 -3.638 -11.705 1.330 1.00 0.00 O ATOM 977 CB GLU A 59 -1.917 -11.520 -0.902 1.00 0.00 C ATOM 978 CG GLU A 59 -1.115 -11.021 -2.112 1.00 0.00 C ATOM 979 CD GLU A 59 0.042 -11.955 -2.444 1.00 0.00 C ATOM 980 OE1 GLU A 59 1.070 -11.911 -1.774 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.157 -12.780 -3.512 1.00 0.00 O ATOM 0 H GLU A 59 -2.459 -9.142 0.136 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.783 -10.993 -1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.356 -11.343 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.074 -12.596 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.774 -10.937 -2.976 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.729 -10.022 -1.906 1.00 0.00 H new ATOM 989 N GLY A 60 -5.480 -11.306 0.074 1.00 0.00 N ATOM 990 CA GLY A 60 -6.449 -11.772 1.056 1.00 0.00 C ATOM 991 C GLY A 60 -7.368 -12.848 0.492 1.00 0.00 C ATOM 992 O GLY A 60 -7.390 -13.100 -0.711 1.00 0.00 O ATOM 0 H GLY A 60 -5.904 -10.973 -0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.922 -12.166 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.048 -10.929 1.401 1.00 0.00 H new ATOM 996 N TYR A 61 -8.117 -13.485 1.396 1.00 0.00 N ATOM 997 CA TYR A 61 -9.086 -14.525 1.114 1.00 0.00 C ATOM 998 C TYR A 61 -10.362 -13.879 0.554 1.00 0.00 C ATOM 999 O TYR A 61 -10.407 -13.529 -0.623 1.00 0.00 O ATOM 1000 CB TYR A 61 -9.325 -15.303 2.418 1.00 0.00 C ATOM 1001 CG TYR A 61 -8.192 -16.228 2.825 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -7.106 -15.731 3.570 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -8.254 -17.599 2.510 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -6.083 -16.599 3.990 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -7.243 -18.471 2.950 1.00 0.00 C ATOM 1006 CZ TYR A 61 -6.153 -17.970 3.684 1.00 0.00 C ATOM 1007 OH TYR A 61 -5.167 -18.817 4.098 1.00 0.00 O ATOM 0 H TYR A 61 -8.054 -13.272 2.392 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.733 -15.228 0.360 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.500 -14.590 3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.236 -15.892 2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.059 -14.681 3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.080 -17.981 1.929 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.243 -16.213 4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.303 -19.525 2.724 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.373 -19.728 3.802 1.00 0.00 H new ATOM 1017 N GLU A 62 -11.391 -13.721 1.397 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.696 -13.164 1.056 1.00 0.00 C ATOM 1019 C GLU A 62 -13.273 -12.501 2.306 1.00 0.00 C ATOM 1020 O GLU A 62 -13.558 -11.305 2.305 1.00 0.00 O ATOM 1021 CB GLU A 62 -13.642 -14.261 0.572 1.00 0.00 C ATOM 1022 CG GLU A 62 -13.273 -14.816 -0.810 1.00 0.00 C ATOM 1023 CD GLU A 62 -14.316 -15.813 -1.303 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -15.020 -15.527 -2.268 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -14.388 -16.987 -0.614 1.00 0.00 O ATOM 0 H GLU A 62 -11.328 -13.992 2.378 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.584 -12.436 0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.641 -15.077 1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.657 -13.866 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.186 -13.996 -1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.298 -15.301 -0.761 1.00 0.00 H new ATOM 1033 N GLU A 63 -13.412 -13.280 3.386 1.00 0.00 N ATOM 1034 CA GLU A 63 -13.694 -12.774 4.717 1.00 0.00 C ATOM 1035 C GLU A 63 -12.717 -11.645 5.056 1.00 0.00 C ATOM 1036 O GLU A 63 -13.123 -10.589 5.534 1.00 0.00 O ATOM 1037 CB GLU A 63 -13.552 -13.929 5.716 1.00 0.00 C ATOM 1038 CG GLU A 63 -14.623 -15.010 5.517 1.00 0.00 C ATOM 1039 CD GLU A 63 -14.507 -16.102 6.576 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -14.217 -17.247 6.234 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -14.739 -15.715 7.862 1.00 0.00 O ATOM 0 H GLU A 63 -13.329 -14.296 3.349 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.707 -12.375 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.564 -14.377 5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.619 -13.538 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.614 -14.558 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.520 -15.449 4.525 1.00 0.00 H new ATOM 1049 N ALA A 64 -11.429 -11.865 4.760 1.00 0.00 N ATOM 1050 CA ALA A 64 -10.398 -10.854 4.911 1.00 0.00 C ATOM 1051 C ALA A 64 -10.514 -9.777 3.837 1.00 0.00 C ATOM 1052 O ALA A 64 -10.223 -8.615 4.115 1.00 0.00 O ATOM 1053 CB ALA A 64 -9.016 -11.510 4.883 1.00 0.00 C ATOM 0 H ALA A 64 -11.081 -12.757 4.408 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.535 -10.365 5.875 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.248 -10.745 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.937 -12.228 5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.877 -12.025 3.933 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.930 -10.150 2.618 1.00 0.00 N ATOM 1060 CA LEU A 65 -11.025 -9.186 1.530 1.00 0.00 C ATOM 1061 C LEU A 65 -11.948 -8.037 1.935 1.00 0.00 C ATOM 1062 O LEU A 65 -11.512 -6.893 2.005 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.513 -9.847 0.242 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.464 -8.861 -0.926 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -10.027 -8.468 -1.305 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -12.188 -9.492 -2.108 1.00 0.00 C ATOM 0 H LEU A 65 -11.201 -11.101 2.370 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.029 -8.788 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.894 -10.716 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.533 -10.208 0.377 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.956 -7.935 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.050 -7.767 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.540 -7.999 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.471 -9.359 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.167 -8.807 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.693 -10.424 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.223 -9.698 -1.833 1.00 0.00 H new ATOM 1078 N SER A 66 -13.213 -8.369 2.217 1.00 0.00 N ATOM 1079 CA SER A 66 -14.251 -7.453 2.670 1.00 0.00 C ATOM 1080 C SER A 66 -13.741 -6.483 3.734 1.00 0.00 C ATOM 1081 O SER A 66 -13.961 -5.284 3.605 1.00 0.00 O ATOM 1082 CB SER A 66 -15.461 -8.250 3.170 1.00 0.00 C ATOM 1083 OG SER A 66 -15.114 -9.093 4.249 1.00 0.00 O ATOM 0 H SER A 66 -13.550 -9.328 2.130 1.00 0.00 H new ATOM 0 HA SER A 66 -14.557 -6.841 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.247 -7.563 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.866 -8.849 2.354 1.00 0.00 H new ATOM 0 HG SER A 66 -14.152 -9.277 4.224 1.00 0.00 H new ATOM 1089 N LYS A 67 -13.036 -6.985 4.754 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.480 -6.192 5.836 1.00 0.00 C ATOM 1091 C LYS A 67 -11.559 -5.076 5.308 1.00 0.00 C ATOM 1092 O LYS A 67 -11.630 -3.949 5.793 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.842 -7.181 6.833 1.00 0.00 C ATOM 1094 CG LYS A 67 -10.613 -6.672 7.586 1.00 0.00 C ATOM 1095 CD LYS A 67 -9.355 -7.145 6.855 1.00 0.00 C ATOM 1096 CE LYS A 67 -8.097 -6.483 7.413 1.00 0.00 C ATOM 1097 NZ LYS A 67 -6.930 -7.087 6.806 1.00 0.00 N ATOM 0 H LYS A 67 -12.836 -7.981 4.844 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.244 -5.630 6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.598 -7.469 7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.563 -8.084 6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.629 -5.584 7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.617 -7.045 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.267 -8.228 6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.445 -6.919 5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.114 -5.412 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.060 -6.601 8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.077 -6.790 7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.015 -8.123 6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.858 -6.783 5.814 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.724 -5.378 4.306 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.763 -4.468 3.696 1.00 0.00 C ATOM 1112 C LEU A 68 -10.431 -3.594 2.622 1.00 0.00 C ATOM 1113 O LEU A 68 -9.971 -2.484 2.355 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.616 -5.343 3.163 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.364 -4.691 2.557 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -7.473 -4.472 1.048 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.923 -3.399 3.245 1.00 0.00 C ATOM 0 H LEU A 68 -10.704 -6.306 3.884 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.364 -3.752 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.284 -5.977 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.038 -6.001 2.403 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.583 -5.428 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.557 -4.009 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.619 -5.431 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.320 -3.820 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.033 -3.009 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.724 -2.662 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.697 -3.603 4.292 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.538 -4.059 2.034 1.00 0.00 N ATOM 1130 CA LEU A 69 -12.312 -3.319 1.052 1.00 0.00 C ATOM 1131 C LEU A 69 -13.160 -2.241 1.725 1.00 0.00 C ATOM 1132 O LEU A 69 -12.987 -1.061 1.427 1.00 0.00 O ATOM 1133 CB LEU A 69 -13.170 -4.288 0.222 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.553 -4.665 -1.133 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -12.677 -3.529 -2.153 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -11.092 -5.099 -1.017 1.00 0.00 C ATOM 0 H LEU A 69 -11.923 -4.981 2.237 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.629 -2.808 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.335 -5.197 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.147 -3.837 0.052 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.128 -5.520 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.228 -3.837 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.730 -3.295 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.161 -2.645 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.708 -5.353 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.502 -4.284 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.022 -5.970 -0.365 1.00 0.00 H new ATOM 1148 N GLU A 70 -14.076 -2.638 2.618 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.999 -1.739 3.302 1.00 0.00 C ATOM 1150 C GLU A 70 -14.247 -0.588 3.978 1.00 0.00 C ATOM 1151 O GLU A 70 -14.635 0.567 3.839 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.903 -2.535 4.256 1.00 0.00 C ATOM 1153 CG GLU A 70 -15.218 -3.007 5.546 1.00 0.00 C ATOM 1154 CD GLU A 70 -16.092 -4.013 6.288 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -15.902 -5.216 6.126 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -17.051 -3.486 7.099 1.00 0.00 O ATOM 0 H GLU A 70 -14.194 -3.615 2.887 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.657 -1.268 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.761 -1.917 4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.289 -3.406 3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.256 -3.461 5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.015 -2.151 6.189 1.00 0.00 H new ATOM 1164 N ARG A 71 -13.131 -0.918 4.637 1.00 0.00 N ATOM 1165 CA ARG A 71 -12.079 -0.032 5.126 1.00 0.00 C ATOM 1166 C ARG A 71 -11.837 1.183 4.216 1.00 0.00 C ATOM 1167 O ARG A 71 -11.793 2.310 4.709 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.829 -0.910 5.315 1.00 0.00 C ATOM 1169 CG ARG A 71 -9.459 -0.260 5.117 1.00 0.00 C ATOM 1170 CD ARG A 71 -9.119 0.815 6.150 1.00 0.00 C ATOM 1171 NE ARG A 71 -7.888 1.498 5.744 1.00 0.00 N ATOM 1172 CZ ARG A 71 -7.839 2.360 4.715 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -8.955 2.888 4.212 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -6.668 2.690 4.171 1.00 0.00 N ATOM 0 H ARG A 71 -12.928 -1.893 4.858 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.372 0.423 6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.860 -1.323 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.903 -1.750 4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.693 -1.035 5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.420 0.183 4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.937 1.531 6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.992 0.364 7.134 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.031 1.311 6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.861 2.639 4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.903 3.541 3.430 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.805 2.288 4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.635 3.345 3.390 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.647 0.967 2.909 1.00 0.00 N ATOM 1189 CA ILE A 72 -11.326 2.025 1.952 1.00 0.00 C ATOM 1190 C ILE A 72 -12.523 2.953 1.752 1.00 0.00 C ATOM 1191 O ILE A 72 -12.465 4.113 2.147 1.00 0.00 O ATOM 1192 CB ILE A 72 -10.774 1.438 0.644 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -9.419 0.757 0.910 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -10.586 2.525 -0.425 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -9.198 -0.368 -0.105 1.00 0.00 C ATOM 0 H ILE A 72 -11.713 0.042 2.485 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.526 2.644 2.359 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.497 0.710 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.614 1.488 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.396 0.355 1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.194 2.075 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.545 2.997 -0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.885 3.276 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.238 -0.847 0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.996 -1.104 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.202 0.046 -1.113 1.00 0.00 H new ATOM 1207 N LYS A 73 -13.591 2.460 1.122 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.782 3.246 0.825 1.00 0.00 C ATOM 1209 C LYS A 73 -15.354 3.957 2.057 1.00 0.00 C ATOM 1210 O LYS A 73 -15.728 5.125 1.973 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.808 2.356 0.119 1.00 0.00 C ATOM 1212 CG LYS A 73 -16.063 0.990 0.780 1.00 0.00 C ATOM 1213 CD LYS A 73 -16.471 -0.048 -0.273 1.00 0.00 C ATOM 1214 CE LYS A 73 -15.286 -0.562 -1.111 1.00 0.00 C ATOM 1215 NZ LYS A 73 -15.788 -1.386 -2.194 1.00 0.00 N ATOM 0 H LYS A 73 -13.650 1.493 0.802 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.503 4.056 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.754 2.895 0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.475 2.188 -0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.164 0.657 1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.848 1.083 1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.949 -0.892 0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.214 0.392 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.717 0.277 -1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.606 -1.139 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.008 -1.624 -2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.194 -2.261 -1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.522 -0.865 -2.715 1.00 0.00 H new ATOM 1228 N GLN A 74 -15.390 3.263 3.200 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.797 3.832 4.481 1.00 0.00 C ATOM 1230 C GLN A 74 -14.827 4.935 4.918 1.00 0.00 C ATOM 1231 O GLN A 74 -15.261 6.045 5.219 1.00 0.00 O ATOM 1232 CB GLN A 74 -15.911 2.711 5.529 1.00 0.00 C ATOM 1233 CG GLN A 74 -16.489 3.170 6.876 1.00 0.00 C ATOM 1234 CD GLN A 74 -15.492 3.941 7.741 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -15.746 5.081 8.119 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -14.358 3.317 8.068 1.00 0.00 N ATOM 0 H GLN A 74 -15.133 2.278 3.258 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.777 4.298 4.377 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.539 1.916 5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.923 2.283 5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -17.360 3.799 6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.837 2.297 7.428 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -14.183 2.369 7.734 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -13.667 3.788 8.652 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.527 4.620 4.968 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.472 5.509 5.437 1.00 0.00 C ATOM 1247 C GLY A 75 -11.550 5.906 4.281 1.00 0.00 C ATOM 1248 O GLY A 75 -10.492 5.294 4.127 1.00 0.00 O ATOM 0 H GLY A 75 -13.176 3.709 4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.912 6.402 5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.893 5.016 6.218 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.917 6.905 3.461 1.00 0.00 N ATOM 1253 CA PRO A 76 -11.127 7.325 2.308 1.00 0.00 C ATOM 1254 C PRO A 76 -9.799 7.963 2.744 1.00 0.00 C ATOM 1255 O PRO A 76 -9.654 8.356 3.901 1.00 0.00 O ATOM 1256 CB PRO A 76 -12.019 8.312 1.545 1.00 0.00 C ATOM 1257 CG PRO A 76 -12.929 8.883 2.629 1.00 0.00 C ATOM 1258 CD PRO A 76 -13.141 7.683 3.548 1.00 0.00 C ATOM 0 HA PRO A 76 -10.844 6.482 1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.432 9.093 1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.591 7.813 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.462 9.718 3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.869 9.250 2.218 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.331 8.002 4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.003 7.095 3.233 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.812 8.054 1.835 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.483 8.569 2.139 1.00 0.00 C ATOM 1268 C PRO A 77 -7.503 10.077 2.394 1.00 0.00 C ATOM 1269 O PRO A 77 -8.460 10.764 2.039 1.00 0.00 O ATOM 1270 CB PRO A 77 -6.633 8.232 0.911 1.00 0.00 C ATOM 1271 CG PRO A 77 -7.652 8.238 -0.226 1.00 0.00 C ATOM 1272 CD PRO A 77 -8.887 7.638 0.443 1.00 0.00 C ATOM 0 HA PRO A 77 -7.084 8.124 3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.846 8.969 0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.146 7.262 1.011 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.840 9.245 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.318 7.641 -1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.802 7.999 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.892 6.551 0.357 1.00 0.00 H new ATOM 1280 N ALA A 78 -6.416 10.590 2.984 1.00 0.00 N ATOM 1281 CA ALA A 78 -6.230 12.006 3.276 1.00 0.00 C ATOM 1282 C ALA A 78 -5.756 12.767 2.031 1.00 0.00 C ATOM 1283 O ALA A 78 -4.776 13.509 2.085 1.00 0.00 O ATOM 1284 CB ALA A 78 -5.245 12.149 4.444 1.00 0.00 C ATOM 0 H ALA A 78 -5.627 10.014 3.276 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.183 12.448 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.099 13.205 4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.646 11.642 5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.289 11.701 4.171 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.457 12.577 0.908 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.182 13.197 -0.374 1.00 0.00 C ATOM 1292 C ALA A 79 -7.413 13.005 -1.261 1.00 0.00 C ATOM 1293 O ALA A 79 -8.229 12.121 -0.997 1.00 0.00 O ATOM 1294 CB ALA A 79 -4.963 12.534 -0.997 1.00 0.00 C ATOM 0 H ALA A 79 -7.266 11.957 0.876 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.974 14.261 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.751 12.996 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.104 12.659 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.159 11.471 -1.139 1.00 0.00 H new ATOM 1300 N GLU A 80 -7.557 13.834 -2.302 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.722 13.802 -3.175 1.00 0.00 C ATOM 1302 C GLU A 80 -8.639 12.611 -4.134 1.00 0.00 C ATOM 1303 O GLU A 80 -8.214 12.754 -5.280 1.00 0.00 O ATOM 1304 CB GLU A 80 -8.871 15.144 -3.911 1.00 0.00 C ATOM 1305 CG GLU A 80 -10.226 15.237 -4.627 1.00 0.00 C ATOM 1306 CD GLU A 80 -10.324 16.490 -5.495 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -10.503 16.373 -6.705 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -10.200 17.682 -4.845 1.00 0.00 O ATOM 0 H GLU A 80 -6.868 14.541 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.621 13.663 -2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.775 15.964 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.065 15.255 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.371 14.353 -5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.028 15.243 -3.889 1.00 0.00 H new ATOM 1316 N VAL A 81 -9.083 11.440 -3.663 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.314 10.269 -4.495 1.00 0.00 C ATOM 1318 C VAL A 81 -10.394 10.591 -5.526 1.00 0.00 C ATOM 1319 O VAL A 81 -11.467 11.087 -5.188 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.655 9.052 -3.616 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -10.980 9.188 -2.850 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.681 7.767 -4.454 1.00 0.00 C ATOM 0 H VAL A 81 -9.293 11.284 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.410 10.005 -5.044 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.862 9.002 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.150 8.291 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.933 10.057 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.799 9.313 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.924 6.919 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.435 7.858 -5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.703 7.609 -4.909 1.00 0.00 H new ATOM 1332 N GLU A 82 -10.072 10.326 -6.793 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.954 10.512 -7.923 1.00 0.00 C ATOM 1334 C GLU A 82 -11.698 9.203 -8.162 1.00 0.00 C ATOM 1335 O GLU A 82 -12.924 9.179 -8.073 1.00 0.00 O ATOM 1336 CB GLU A 82 -10.128 10.947 -9.140 1.00 0.00 C ATOM 1337 CG GLU A 82 -11.019 11.369 -10.311 1.00 0.00 C ATOM 1338 CD GLU A 82 -10.183 11.724 -11.536 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -10.183 10.971 -12.507 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -9.473 12.886 -11.457 1.00 0.00 O ATOM 0 H GLU A 82 -9.156 9.964 -7.059 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.689 11.295 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.478 11.776 -8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.482 10.127 -9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.707 10.561 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.626 12.226 -10.020 1.00 0.00 H new ATOM 1348 N LYS A 83 -10.959 8.123 -8.465 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.543 6.833 -8.813 1.00 0.00 C ATOM 1350 C LYS A 83 -10.689 5.671 -8.331 1.00 0.00 C ATOM 1351 O LYS A 83 -9.557 5.495 -8.767 1.00 0.00 O ATOM 1352 CB LYS A 83 -11.735 6.701 -10.328 1.00 0.00 C ATOM 1353 CG LYS A 83 -12.912 7.512 -10.868 1.00 0.00 C ATOM 1354 CD LYS A 83 -14.275 6.920 -10.493 1.00 0.00 C ATOM 1355 CE LYS A 83 -15.388 7.762 -11.120 1.00 0.00 C ATOM 1356 NZ LYS A 83 -16.684 7.203 -10.791 1.00 0.00 N ATOM 0 H LYS A 83 -9.939 8.128 -8.473 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.511 6.793 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.823 7.021 -10.831 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.884 5.650 -10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.848 8.531 -10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.836 7.573 -11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.344 5.890 -10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.388 6.898 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.324 8.789 -10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.263 7.796 -12.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -17.432 7.783 -11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.746 6.231 -11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -16.806 7.193 -9.758 1.00 0.00 H new ATOM 1369 N VAL A 84 -11.271 4.832 -7.479 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.664 3.584 -7.046 1.00 0.00 C ATOM 1371 C VAL A 84 -11.189 2.444 -7.919 1.00 0.00 C ATOM 1372 O VAL A 84 -12.313 1.975 -7.750 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.830 3.376 -5.535 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -12.235 3.695 -5.018 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -10.391 1.959 -5.150 1.00 0.00 C ATOM 0 H VAL A 84 -12.188 5.005 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.584 3.612 -7.190 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.179 4.098 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.274 3.524 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.472 4.738 -5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.960 3.051 -5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.512 1.820 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -11.004 1.231 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.344 1.817 -5.419 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.365 2.031 -8.886 1.00 0.00 N ATOM 1386 CA ASP A 85 -10.713 1.096 -9.940 1.00 0.00 C ATOM 1387 C ASP A 85 -10.165 -0.275 -9.556 1.00 0.00 C ATOM 1388 O ASP A 85 -9.096 -0.665 -10.028 1.00 0.00 O ATOM 1389 CB ASP A 85 -10.094 1.623 -11.240 1.00 0.00 C ATOM 1390 CG ASP A 85 -10.319 0.714 -12.444 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -11.309 -0.012 -12.488 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -9.369 0.785 -13.421 1.00 0.00 O ATOM 0 H ASP A 85 -9.401 2.357 -8.952 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.790 1.000 -10.080 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.511 2.607 -11.457 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.022 1.756 -11.093 1.00 0.00 H new ATOM 1398 N TYR A 86 -10.877 -0.983 -8.669 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.382 -2.238 -8.123 1.00 0.00 C ATOM 1400 C TYR A 86 -10.807 -3.440 -8.959 1.00 0.00 C ATOM 1401 O TYR A 86 -11.845 -3.416 -9.619 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.717 -2.388 -6.630 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.893 -3.291 -6.295 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -13.199 -2.768 -6.265 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.676 -4.646 -5.978 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -14.275 -3.580 -5.863 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -12.753 -5.461 -5.591 1.00 0.00 C ATOM 1408 CZ TYR A 86 -14.049 -4.924 -5.514 1.00 0.00 C ATOM 1409 OH TYR A 86 -15.087 -5.708 -5.103 1.00 0.00 O ATOM 0 H TYR A 86 -11.794 -0.703 -8.320 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.294 -2.207 -8.185 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.834 -2.770 -6.117 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.918 -1.397 -6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.376 -1.742 -6.551 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.680 -5.059 -6.033 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -15.274 -3.172 -5.822 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.585 -6.501 -5.353 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.757 -6.609 -4.902 1.00 0.00 H new ATOM 1419 N SER A 87 -9.988 -4.494 -8.909 1.00 0.00 N ATOM 1420 CA SER A 87 -10.256 -5.763 -9.564 1.00 0.00 C ATOM 1421 C SER A 87 -9.721 -6.926 -8.727 1.00 0.00 C ATOM 1422 O SER A 87 -8.639 -6.841 -8.151 1.00 0.00 O ATOM 1423 CB SER A 87 -9.653 -5.779 -10.974 1.00 0.00 C ATOM 1424 OG SER A 87 -10.066 -4.644 -11.709 1.00 0.00 O ATOM 0 H SER A 87 -9.104 -4.482 -8.400 1.00 0.00 H new ATOM 0 HA SER A 87 -11.336 -5.882 -9.656 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.565 -5.800 -10.909 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.959 -6.686 -11.495 1.00 0.00 H new ATOM 0 HG SER A 87 -9.669 -4.672 -12.605 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.497 -8.012 -8.669 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.166 -9.251 -7.977 1.00 0.00 C ATOM 1432 C PHE A 88 -9.590 -10.250 -8.988 1.00 0.00 C ATOM 1433 O PHE A 88 -10.223 -10.522 -10.008 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.442 -9.776 -7.287 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.619 -11.287 -7.255 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -10.580 -12.107 -6.780 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -12.786 -11.880 -7.774 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -10.693 -13.506 -6.840 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -12.910 -13.280 -7.812 1.00 0.00 C ATOM 1440 CZ PHE A 88 -11.863 -14.093 -7.347 1.00 0.00 C ATOM 0 H PHE A 88 -11.410 -8.049 -9.123 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.408 -9.093 -7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.452 -9.409 -6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.306 -9.341 -7.789 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.689 -11.658 -6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -13.588 -11.258 -8.144 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.881 -14.129 -6.496 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.812 -13.731 -8.199 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.958 -15.168 -7.380 1.00 0.00 H new ATOM 1450 N SER A 89 -8.406 -10.810 -8.694 1.00 0.00 N ATOM 1451 CA SER A 89 -7.795 -11.895 -9.463 1.00 0.00 C ATOM 1452 C SER A 89 -7.213 -12.962 -8.525 1.00 0.00 C ATOM 1453 O SER A 89 -7.331 -12.839 -7.310 1.00 0.00 O ATOM 1454 CB SER A 89 -6.709 -11.331 -10.388 1.00 0.00 C ATOM 1455 OG SER A 89 -7.147 -10.152 -11.033 1.00 0.00 O ATOM 0 H SER A 89 -7.840 -10.513 -7.900 1.00 0.00 H new ATOM 0 HA SER A 89 -8.562 -12.370 -10.074 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.809 -11.119 -9.810 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.440 -12.078 -11.135 1.00 0.00 H new ATOM 0 HG SER A 89 -6.435 -9.814 -11.615 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.541 -13.985 -9.074 1.00 0.00 N ATOM 1462 CA GLU A 90 -5.753 -14.941 -8.300 1.00 0.00 C ATOM 1463 C GLU A 90 -4.287 -14.516 -8.255 1.00 0.00 C ATOM 1464 O GLU A 90 -3.799 -13.846 -9.163 1.00 0.00 O ATOM 1465 CB GLU A 90 -5.865 -16.349 -8.899 1.00 0.00 C ATOM 1466 CG GLU A 90 -7.238 -16.981 -8.645 1.00 0.00 C ATOM 1467 CD GLU A 90 -7.554 -17.132 -7.157 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -8.647 -16.759 -6.737 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -6.567 -17.667 -6.379 1.00 0.00 O ATOM 0 H GLU A 90 -6.533 -14.169 -10.077 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.149 -14.958 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.683 -16.300 -9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.090 -16.986 -8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.007 -16.368 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.276 -17.961 -9.121 1.00 0.00 H new ATOM 1477 N TYR A 91 -3.590 -14.917 -7.185 1.00 0.00 N ATOM 1478 CA TYR A 91 -2.190 -14.625 -6.964 1.00 0.00 C ATOM 1479 C TYR A 91 -1.309 -15.287 -8.022 1.00 0.00 C ATOM 1480 O TYR A 91 -1.471 -16.466 -8.329 1.00 0.00 O ATOM 1481 CB TYR A 91 -1.811 -15.047 -5.541 1.00 0.00 C ATOM 1482 CG TYR A 91 -1.785 -16.543 -5.283 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -2.964 -17.211 -4.911 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -0.593 -17.274 -5.438 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -2.961 -18.601 -4.712 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -0.583 -18.663 -5.225 1.00 0.00 C ATOM 1487 CZ TYR A 91 -1.767 -19.326 -4.856 1.00 0.00 C ATOM 1488 OH TYR A 91 -1.759 -20.672 -4.643 1.00 0.00 O ATOM 0 H TYR A 91 -4.007 -15.468 -6.435 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.021 -13.553 -7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.826 -14.640 -5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.515 -14.589 -4.846 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.878 -16.652 -4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.317 -16.766 -5.722 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.875 -19.112 -4.449 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.334 -19.221 -5.345 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.854 -21.020 -4.785 1.00 0.00 H new ATOM 1498 N LYS A 92 -0.361 -14.513 -8.562 1.00 0.00 N ATOM 1499 CA LYS A 92 0.732 -15.030 -9.369 1.00 0.00 C ATOM 1500 C LYS A 92 1.691 -15.779 -8.440 1.00 0.00 C ATOM 1501 O LYS A 92 2.054 -16.923 -8.705 1.00 0.00 O ATOM 1502 CB LYS A 92 1.431 -13.860 -10.078 1.00 0.00 C ATOM 1503 CG LYS A 92 2.603 -14.297 -10.973 1.00 0.00 C ATOM 1504 CD LYS A 92 2.164 -14.911 -12.311 1.00 0.00 C ATOM 1505 CE LYS A 92 1.699 -13.839 -13.305 1.00 0.00 C ATOM 1506 NZ LYS A 92 1.400 -14.448 -14.587 1.00 0.00 N ATOM 0 H LYS A 92 -0.338 -13.500 -8.445 1.00 0.00 H new ATOM 0 HA LYS A 92 0.372 -15.717 -10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.701 -13.325 -10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.798 -13.159 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.239 -13.434 -11.171 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.210 -15.023 -10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.993 -15.472 -12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.355 -15.621 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.815 -13.332 -12.919 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.474 -13.082 -13.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.086 -13.715 -15.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.254 -14.912 -14.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.646 -15.154 -14.468 1.00 0.00 H new ATOM 1519 N GLY A 93 2.081 -15.117 -7.346 1.00 0.00 N ATOM 1520 CA GLY A 93 2.940 -15.648 -6.307 1.00 0.00 C ATOM 1521 C GLY A 93 2.715 -14.849 -5.024 1.00 0.00 C ATOM 1522 O GLY A 93 2.011 -13.838 -5.029 1.00 0.00 O ATOM 0 H GLY A 93 1.789 -14.157 -7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.720 -16.702 -6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.984 -15.585 -6.612 1.00 0.00 H new ATOM 1526 N GLU A 94 3.317 -15.309 -3.924 1.00 0.00 N ATOM 1527 CA GLU A 94 3.257 -14.653 -2.635 1.00 0.00 C ATOM 1528 C GLU A 94 4.330 -13.565 -2.577 1.00 0.00 C ATOM 1529 O GLU A 94 5.527 -13.846 -2.583 1.00 0.00 O ATOM 1530 CB GLU A 94 3.328 -15.667 -1.483 1.00 0.00 C ATOM 1531 CG GLU A 94 4.580 -16.551 -1.453 1.00 0.00 C ATOM 1532 CD GLU A 94 4.508 -17.561 -0.311 1.00 0.00 C ATOM 1533 OE1 GLU A 94 5.113 -17.335 0.735 1.00 0.00 O ATOM 1534 OE2 GLU A 94 3.753 -18.673 -0.543 1.00 0.00 O ATOM 0 H GLU A 94 3.869 -16.167 -3.915 1.00 0.00 H new ATOM 0 HA GLU A 94 2.292 -14.162 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.267 -15.123 -0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.451 -16.312 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.681 -17.077 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.467 -15.928 -1.337 1.00 0.00 H new ATOM 1542 N PHE A 95 3.881 -12.309 -2.538 1.00 0.00 N ATOM 1543 CA PHE A 95 4.727 -11.153 -2.289 1.00 0.00 C ATOM 1544 C PHE A 95 5.324 -11.284 -0.888 1.00 0.00 C ATOM 1545 O PHE A 95 4.600 -11.587 0.056 1.00 0.00 O ATOM 1546 CB PHE A 95 3.885 -9.876 -2.368 1.00 0.00 C ATOM 1547 CG PHE A 95 3.513 -9.408 -3.764 1.00 0.00 C ATOM 1548 CD1 PHE A 95 2.450 -10.011 -4.461 1.00 0.00 C ATOM 1549 CD2 PHE A 95 4.177 -8.303 -4.332 1.00 0.00 C ATOM 1550 CE1 PHE A 95 2.036 -9.499 -5.702 1.00 0.00 C ATOM 1551 CE2 PHE A 95 3.751 -7.780 -5.566 1.00 0.00 C ATOM 1552 CZ PHE A 95 2.675 -8.374 -6.248 1.00 0.00 C ATOM 0 H PHE A 95 2.900 -12.068 -2.682 1.00 0.00 H new ATOM 0 HA PHE A 95 5.522 -11.103 -3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.967 -10.035 -1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.430 -9.074 -1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.950 -10.871 -4.040 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.015 -7.856 -3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.225 -9.971 -6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.251 -6.922 -5.990 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.340 -7.966 -7.190 1.00 0.00 H new ATOM 1562 N GLU A 96 6.632 -11.055 -0.743 1.00 0.00 N ATOM 1563 CA GLU A 96 7.297 -11.075 0.545 1.00 0.00 C ATOM 1564 C GLU A 96 6.883 -9.841 1.349 1.00 0.00 C ATOM 1565 O GLU A 96 7.432 -8.760 1.141 1.00 0.00 O ATOM 1566 CB GLU A 96 8.816 -11.158 0.354 1.00 0.00 C ATOM 1567 CG GLU A 96 9.201 -12.416 -0.436 1.00 0.00 C ATOM 1568 CD GLU A 96 10.708 -12.654 -0.411 1.00 0.00 C ATOM 1569 OE1 GLU A 96 11.155 -13.638 0.174 1.00 0.00 O ATOM 1570 OE2 GLU A 96 11.469 -11.728 -1.059 1.00 0.00 O ATOM 0 H GLU A 96 7.255 -10.850 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 96 6.996 -11.959 1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.169 -10.271 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.309 -11.169 1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.688 -13.281 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.865 -12.316 -1.468 1.00 0.00 H new ATOM 1578 N ASP A 97 5.898 -10.009 2.244 1.00 0.00 N ATOM 1579 CA ASP A 97 5.284 -8.942 3.031 1.00 0.00 C ATOM 1580 C ASP A 97 4.485 -7.998 2.126 1.00 0.00 C ATOM 1581 O ASP A 97 4.208 -8.326 0.974 1.00 0.00 O ATOM 1582 CB ASP A 97 6.318 -8.219 3.915 1.00 0.00 C ATOM 1583 CG ASP A 97 7.109 -9.190 4.788 1.00 0.00 C ATOM 1584 OD1 ASP A 97 6.673 -9.495 5.896 1.00 0.00 O ATOM 1585 OD2 ASP A 97 8.277 -9.659 4.264 1.00 0.00 O ATOM 0 H ASP A 97 5.497 -10.925 2.443 1.00 0.00 H new ATOM 0 HA ASP A 97 4.571 -9.386 3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.006 -7.659 3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.808 -7.495 4.550 1.00 0.00 H new ATOM 1591 N PHE A 98 4.090 -6.841 2.670 1.00 0.00 N ATOM 1592 CA PHE A 98 3.296 -5.826 1.994 1.00 0.00 C ATOM 1593 C PHE A 98 3.963 -4.467 2.199 1.00 0.00 C ATOM 1594 O PHE A 98 3.548 -3.703 3.069 1.00 0.00 O ATOM 1595 CB PHE A 98 1.869 -5.875 2.554 1.00 0.00 C ATOM 1596 CG PHE A 98 0.780 -5.092 1.842 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.056 -4.220 0.770 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.555 -5.327 2.215 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.003 -3.668 0.024 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.607 -4.742 1.491 1.00 0.00 C ATOM 1601 CZ PHE A 98 -1.328 -3.937 0.378 1.00 0.00 C ATOM 0 H PHE A 98 4.327 -6.583 3.628 1.00 0.00 H new ATOM 0 HA PHE A 98 3.238 -6.004 0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.560 -6.920 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.906 -5.526 3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.079 -3.976 0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.773 -5.960 3.062 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.218 -3.035 -0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.630 -4.912 1.792 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.137 -3.524 -0.207 1.00 0.00 H new ATOM 1611 N GLU A 99 5.000 -4.178 1.401 1.00 0.00 N ATOM 1612 CA GLU A 99 5.831 -2.993 1.597 1.00 0.00 C ATOM 1613 C GLU A 99 5.529 -1.954 0.518 1.00 0.00 C ATOM 1614 O GLU A 99 4.926 -2.273 -0.506 1.00 0.00 O ATOM 1615 CB GLU A 99 7.310 -3.392 1.659 1.00 0.00 C ATOM 1616 CG GLU A 99 8.191 -2.198 2.056 1.00 0.00 C ATOM 1617 CD GLU A 99 9.613 -2.636 2.392 1.00 0.00 C ATOM 1618 OE1 GLU A 99 10.034 -2.495 3.538 1.00 0.00 O ATOM 1619 OE2 GLU A 99 10.334 -3.166 1.363 1.00 0.00 O ATOM 0 H GLU A 99 5.281 -4.757 0.609 1.00 0.00 H new ATOM 0 HA GLU A 99 5.594 -2.525 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.442 -4.200 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.627 -3.775 0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.215 -1.476 1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.753 -1.692 2.916 1.00 0.00 H new ATOM 1627 N THR A 100 5.897 -0.698 0.784 1.00 0.00 N ATOM 1628 CA THR A 100 5.434 0.449 0.027 1.00 0.00 C ATOM 1629 C THR A 100 6.578 1.108 -0.754 1.00 0.00 C ATOM 1630 O THR A 100 7.695 1.212 -0.247 1.00 0.00 O ATOM 1631 CB THR A 100 4.715 1.430 0.975 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.596 2.409 1.483 1.00 0.00 O ATOM 1633 CG2 THR A 100 4.058 0.725 2.171 1.00 0.00 C ATOM 0 H THR A 100 6.534 -0.455 1.543 1.00 0.00 H new ATOM 0 HA THR A 100 4.717 0.120 -0.725 1.00 0.00 H new ATOM 0 HB THR A 100 3.943 1.898 0.365 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.105 3.014 2.078 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.567 1.464 2.804 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.320 0.008 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.820 0.202 2.748 1.00 0.00 H new ATOM 1641 N TYR A 101 6.287 1.558 -1.981 1.00 0.00 N ATOM 1642 CA TYR A 101 7.160 2.390 -2.807 1.00 0.00 C ATOM 1643 C TYR A 101 6.500 3.760 -2.975 1.00 0.00 C ATOM 1644 O TYR A 101 7.247 4.761 -3.011 1.00 0.00 O ATOM 1645 CB TYR A 101 7.417 1.670 -4.142 1.00 0.00 C ATOM 1646 CG TYR A 101 8.071 2.446 -5.269 1.00 0.00 C ATOM 1647 CD1 TYR A 101 7.327 3.404 -5.986 1.00 0.00 C ATOM 1648 CD2 TYR A 101 9.289 1.983 -5.803 1.00 0.00 C ATOM 1649 CE1 TYR A 101 7.858 3.982 -7.151 1.00 0.00 C ATOM 1650 CE2 TYR A 101 9.841 2.592 -6.943 1.00 0.00 C ATOM 1651 CZ TYR A 101 9.130 3.606 -7.609 1.00 0.00 C ATOM 1652 OH TYR A 101 9.665 4.214 -8.707 1.00 0.00 O ATOM 1653 OXT TYR A 101 5.252 3.795 -3.050 1.00 0.00 O ATOM 0 H TYR A 101 5.402 1.342 -2.440 1.00 0.00 H new ATOM 0 HA TYR A 101 8.132 2.550 -2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.039 0.799 -3.935 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.460 1.298 -4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.346 3.695 -5.639 1.00 0.00 H new ATOM 0 HD2 TYR A 101 9.801 1.156 -5.334 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.286 4.718 -7.696 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.809 2.282 -7.307 1.00 0.00 H new ATOM 0 HH TYR A 101 10.551 3.838 -8.890 1.00 0.00 H new