USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 406 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.199 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -62:sc= 0.369 USER MOD Single : A 50 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.39) USER MOD Single : A 51 THR OG1 : rot 119:sc= 0.323 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 CYS SG : rot 53:sc= -0.259 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 70 SER OG : rot 82:sc= -0.256! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 22 9.731 9.316 4.393 1.00 0.00 N ATOM 230 CA VAL A 22 8.300 9.052 4.707 1.00 0.00 C ATOM 231 C VAL A 22 7.657 8.282 3.553 1.00 0.00 C ATOM 232 O VAL A 22 8.302 7.955 2.577 1.00 0.00 O ATOM 233 CB VAL A 22 7.570 10.382 4.904 1.00 0.00 C ATOM 234 CG1 VAL A 22 6.352 10.167 5.805 1.00 0.00 C ATOM 235 CG2 VAL A 22 8.516 11.390 5.560 1.00 0.00 C ATOM 0 HA VAL A 22 8.231 8.460 5.619 1.00 0.00 H new ATOM 0 HB VAL A 22 7.244 10.764 3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.832 11.114 5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.678 9.448 5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.678 9.785 6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.997 12.338 5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.841 11.007 6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.385 11.544 4.920 1.00 0.00 H new ATOM 245 N VAL A 23 6.389 7.994 3.654 1.00 0.00 N ATOM 246 CA VAL A 23 5.704 7.249 2.562 1.00 0.00 C ATOM 247 C VAL A 23 4.884 8.227 1.724 1.00 0.00 C ATOM 248 O VAL A 23 4.333 9.183 2.232 1.00 0.00 O ATOM 249 CB VAL A 23 4.777 6.193 3.168 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.990 5.503 2.052 1.00 0.00 C ATOM 251 CG2 VAL A 23 5.612 5.153 3.919 1.00 0.00 C ATOM 0 H VAL A 23 5.797 8.243 4.447 1.00 0.00 H new ATOM 0 HA VAL A 23 6.446 6.759 1.931 1.00 0.00 H new ATOM 0 HB VAL A 23 4.084 6.672 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.330 4.751 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.396 6.242 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.683 5.024 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.953 4.400 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.305 4.674 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.174 5.643 4.714 1.00 0.00 H new ATOM 261 N GLU A 24 4.800 8.002 0.442 1.00 0.00 N ATOM 262 CA GLU A 24 4.017 8.929 -0.421 1.00 0.00 C ATOM 263 C GLU A 24 2.585 8.412 -0.567 1.00 0.00 C ATOM 264 O GLU A 24 1.648 9.177 -0.680 1.00 0.00 O ATOM 265 CB GLU A 24 4.672 9.018 -1.801 1.00 0.00 C ATOM 266 CG GLU A 24 4.585 10.457 -2.314 1.00 0.00 C ATOM 267 CD GLU A 24 4.239 10.447 -3.804 1.00 0.00 C ATOM 268 OE1 GLU A 24 3.536 9.541 -4.223 1.00 0.00 O ATOM 269 OE2 GLU A 24 4.683 11.345 -4.502 1.00 0.00 O ATOM 0 H GLU A 24 5.238 7.219 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 24 3.998 9.918 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.714 8.704 -1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.174 8.342 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.827 11.008 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.533 10.970 -2.153 1.00 0.00 H new ATOM 276 N LYS A 25 2.404 7.120 -0.566 1.00 0.00 N ATOM 277 CA LYS A 25 1.031 6.560 -0.705 1.00 0.00 C ATOM 278 C LYS A 25 1.124 5.054 -0.947 1.00 0.00 C ATOM 279 O LYS A 25 2.194 4.479 -0.935 1.00 0.00 O ATOM 280 CB LYS A 25 0.326 7.226 -1.889 1.00 0.00 C ATOM 281 CG LYS A 25 -0.884 8.015 -1.384 1.00 0.00 C ATOM 282 CD LYS A 25 -1.677 8.551 -2.577 1.00 0.00 C ATOM 283 CE LYS A 25 -1.697 10.081 -2.531 1.00 0.00 C ATOM 284 NZ LYS A 25 -3.106 10.558 -2.438 1.00 0.00 N ATOM 0 H LYS A 25 3.148 6.428 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 25 0.464 6.749 0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.015 7.891 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.007 6.471 -2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.518 7.376 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.556 8.840 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.226 8.210 -3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.695 8.163 -2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.124 10.437 -1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.222 10.488 -3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.119 11.597 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.639 10.230 -3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.544 10.180 -1.574 1.00 0.00 H new ATOM 298 N VAL A 26 0.013 4.407 -1.164 1.00 0.00 N ATOM 299 CA VAL A 26 0.046 2.939 -1.403 1.00 0.00 C ATOM 300 C VAL A 26 -0.079 2.661 -2.902 1.00 0.00 C ATOM 301 O VAL A 26 -0.793 3.340 -3.613 1.00 0.00 O ATOM 302 CB VAL A 26 -1.113 2.273 -0.662 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.983 0.756 -0.779 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.069 2.673 0.813 1.00 0.00 C ATOM 0 H VAL A 26 -0.914 4.831 -1.186 1.00 0.00 H new ATOM 0 HA VAL A 26 0.990 2.535 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.059 2.594 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.808 0.278 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.009 0.469 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.038 0.437 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.895 2.199 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.124 2.350 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.157 3.756 0.899 1.00 0.00 H new ATOM 314 N LEU A 27 0.613 1.667 -3.386 1.00 0.00 N ATOM 315 CA LEU A 27 0.536 1.343 -4.838 1.00 0.00 C ATOM 316 C LEU A 27 -0.174 0.002 -5.024 1.00 0.00 C ATOM 317 O LEU A 27 -0.940 -0.183 -5.949 1.00 0.00 O ATOM 318 CB LEU A 27 1.950 1.255 -5.415 1.00 0.00 C ATOM 319 CG LEU A 27 2.257 2.525 -6.211 1.00 0.00 C ATOM 320 CD1 LEU A 27 1.406 2.550 -7.481 1.00 0.00 C ATOM 321 CD2 LEU A 27 1.932 3.751 -5.355 1.00 0.00 C ATOM 0 H LEU A 27 1.228 1.065 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.021 2.124 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.675 1.133 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.038 0.380 -6.059 1.00 0.00 H new ATOM 0 HG LEU A 27 3.313 2.539 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.625 3.455 -8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.636 1.676 -8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.350 2.537 -7.212 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.150 4.657 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.876 3.737 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.538 3.733 -4.449 1.00 0.00 H new ATOM 333 N ASP A 28 0.073 -0.938 -4.152 1.00 0.00 N ATOM 334 CA ASP A 28 -0.591 -2.265 -4.281 1.00 0.00 C ATOM 335 C ASP A 28 -0.260 -3.124 -3.059 1.00 0.00 C ATOM 336 O ASP A 28 0.389 -2.681 -2.133 1.00 0.00 O ATOM 337 CB ASP A 28 -0.088 -2.965 -5.546 1.00 0.00 C ATOM 338 CG ASP A 28 1.429 -3.139 -5.466 1.00 0.00 C ATOM 339 OD1 ASP A 28 1.865 -4.086 -4.832 1.00 0.00 O ATOM 340 OD2 ASP A 28 2.131 -2.322 -6.040 1.00 0.00 O ATOM 0 H ASP A 28 0.705 -0.844 -3.357 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.670 -2.126 -4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.571 -3.936 -5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.351 -2.380 -6.427 1.00 0.00 H new ATOM 345 N ARG A 29 -0.701 -4.352 -3.052 1.00 0.00 N ATOM 346 CA ARG A 29 -0.412 -5.241 -1.892 1.00 0.00 C ATOM 347 C ARG A 29 -0.026 -6.630 -2.403 1.00 0.00 C ATOM 348 O ARG A 29 -0.482 -7.070 -3.439 1.00 0.00 O ATOM 349 CB ARG A 29 -1.657 -5.350 -1.007 1.00 0.00 C ATOM 350 CG ARG A 29 -2.794 -5.996 -1.801 1.00 0.00 C ATOM 351 CD ARG A 29 -3.428 -7.112 -0.968 1.00 0.00 C ATOM 352 NE ARG A 29 -4.649 -7.614 -1.658 1.00 0.00 N ATOM 353 CZ ARG A 29 -4.609 -7.898 -2.931 1.00 0.00 C ATOM 354 NH1 ARG A 29 -4.067 -9.014 -3.334 1.00 0.00 N ATOM 355 NH2 ARG A 29 -5.112 -7.066 -3.802 1.00 0.00 N ATOM 0 H ARG A 29 -1.249 -4.778 -3.800 1.00 0.00 H new ATOM 0 HA ARG A 29 0.410 -4.824 -1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.435 -5.944 -0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.957 -4.361 -0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.544 -5.248 -2.057 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.413 -6.399 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.716 -7.925 -0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.685 -6.739 0.024 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.516 -7.736 -1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.674 -9.665 -2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.036 -9.236 -4.329 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.537 -6.193 -3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.080 -7.288 -4.797 1.00 0.00 H new ATOM 369 N ARG A 30 0.814 -7.325 -1.686 1.00 0.00 N ATOM 370 CA ARG A 30 1.231 -8.682 -2.134 1.00 0.00 C ATOM 371 C ARG A 30 1.183 -9.649 -0.948 1.00 0.00 C ATOM 372 O ARG A 30 1.920 -9.511 0.008 1.00 0.00 O ATOM 373 CB ARG A 30 2.656 -8.620 -2.686 1.00 0.00 C ATOM 374 CG ARG A 30 3.170 -10.037 -2.946 1.00 0.00 C ATOM 375 CD ARG A 30 4.616 -9.973 -3.439 1.00 0.00 C ATOM 376 NE ARG A 30 5.536 -10.338 -2.325 1.00 0.00 N ATOM 377 CZ ARG A 30 5.940 -11.572 -2.190 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.233 -12.548 -2.687 1.00 0.00 N ATOM 379 NH2 ARG A 30 7.054 -11.828 -1.558 1.00 0.00 N ATOM 0 H ARG A 30 1.229 -7.011 -0.809 1.00 0.00 H new ATOM 0 HA ARG A 30 0.554 -9.032 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.674 -8.041 -3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.309 -8.110 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.112 -10.630 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.543 -10.532 -3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.756 -10.654 -4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.845 -8.970 -3.800 1.00 0.00 H new ATOM 0 HE ARG A 30 5.850 -9.624 -1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.364 -12.348 -3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.549 -13.512 -2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.608 -11.064 -1.170 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.370 -12.792 -1.452 1.00 0.00 H new ATOM 393 N VAL A 31 0.322 -10.629 -1.003 1.00 0.00 N ATOM 394 CA VAL A 31 0.228 -11.603 0.121 1.00 0.00 C ATOM 395 C VAL A 31 1.116 -12.812 -0.178 1.00 0.00 C ATOM 396 O VAL A 31 1.056 -13.389 -1.245 1.00 0.00 O ATOM 397 CB VAL A 31 -1.222 -12.060 0.279 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.314 -13.090 1.407 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.102 -10.855 0.619 1.00 0.00 C ATOM 0 H VAL A 31 -0.320 -10.797 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 31 0.561 -11.128 1.044 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.563 -12.510 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.348 -13.415 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.687 -13.949 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.972 -12.640 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.136 -11.180 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.759 -10.406 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.038 -10.120 -0.183 1.00 0.00 H new ATOM 409 N VAL A 32 1.939 -13.201 0.758 1.00 0.00 N ATOM 410 CA VAL A 32 2.829 -14.373 0.527 1.00 0.00 C ATOM 411 C VAL A 32 2.158 -15.638 1.070 1.00 0.00 C ATOM 412 O VAL A 32 2.799 -16.493 1.646 1.00 0.00 O ATOM 413 CB VAL A 32 4.160 -14.154 1.248 1.00 0.00 C ATOM 414 CG1 VAL A 32 5.143 -15.257 0.854 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.736 -12.793 0.846 1.00 0.00 C ATOM 0 H VAL A 32 2.033 -12.758 1.672 1.00 0.00 H new ATOM 0 HA VAL A 32 3.009 -14.486 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 32 3.998 -14.180 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.091 -15.100 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.734 -16.227 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.306 -15.231 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.685 -12.634 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.897 -12.770 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.036 -12.005 1.125 1.00 0.00 H new ATOM 425 N LYS A 33 0.872 -15.762 0.888 1.00 0.00 N ATOM 426 CA LYS A 33 0.161 -16.970 1.392 1.00 0.00 C ATOM 427 C LYS A 33 0.355 -17.081 2.906 1.00 0.00 C ATOM 428 O LYS A 33 0.971 -18.007 3.396 1.00 0.00 O ATOM 429 CB LYS A 33 0.729 -18.217 0.712 1.00 0.00 C ATOM 430 CG LYS A 33 0.819 -17.979 -0.797 1.00 0.00 C ATOM 431 CD LYS A 33 2.215 -18.360 -1.291 1.00 0.00 C ATOM 432 CE LYS A 33 2.385 -17.905 -2.742 1.00 0.00 C ATOM 433 NZ LYS A 33 1.789 -18.922 -3.655 1.00 0.00 N ATOM 0 H LYS A 33 0.283 -15.079 0.412 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.902 -16.886 1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.716 -18.446 1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.093 -19.078 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.064 -18.571 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.614 -16.933 -1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.974 -17.896 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.356 -19.438 -1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.901 -16.940 -2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.442 -17.771 -2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.904 -18.613 -4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.270 -19.834 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.777 -19.029 -3.442 1.00 0.00 H new ATOM 447 N GLY A 34 -0.166 -16.145 3.650 1.00 0.00 N ATOM 448 CA GLY A 34 -0.011 -16.198 5.132 1.00 0.00 C ATOM 449 C GLY A 34 0.323 -14.803 5.662 1.00 0.00 C ATOM 450 O GLY A 34 0.111 -14.501 6.819 1.00 0.00 O ATOM 0 H GLY A 34 -0.692 -15.346 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.930 -16.562 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.779 -16.899 5.400 1.00 0.00 H new ATOM 454 N LYS A 35 0.846 -13.949 4.825 1.00 0.00 N ATOM 455 CA LYS A 35 1.194 -12.575 5.282 1.00 0.00 C ATOM 456 C LYS A 35 0.606 -11.549 4.311 1.00 0.00 C ATOM 457 O LYS A 35 0.265 -11.866 3.188 1.00 0.00 O ATOM 458 CB LYS A 35 2.716 -12.421 5.325 1.00 0.00 C ATOM 459 CG LYS A 35 3.303 -13.421 6.323 1.00 0.00 C ATOM 460 CD LYS A 35 3.763 -12.679 7.580 1.00 0.00 C ATOM 461 CE LYS A 35 2.554 -12.050 8.273 1.00 0.00 C ATOM 462 NZ LYS A 35 2.761 -12.071 9.749 1.00 0.00 N ATOM 0 H LYS A 35 1.047 -14.144 3.844 1.00 0.00 H new ATOM 0 HA LYS A 35 0.783 -12.410 6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.137 -12.590 4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.981 -11.404 5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.557 -14.171 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.143 -13.950 5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.266 -13.368 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.486 -11.907 7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.417 -11.025 7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.648 -12.597 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.939 -11.643 10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.872 -13.054 10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.617 -11.530 9.987 1.00 0.00 H new ATOM 476 N VAL A 36 0.486 -10.319 4.733 1.00 0.00 N ATOM 477 CA VAL A 36 -0.078 -9.275 3.833 1.00 0.00 C ATOM 478 C VAL A 36 0.915 -8.118 3.709 1.00 0.00 C ATOM 479 O VAL A 36 1.034 -7.291 4.591 1.00 0.00 O ATOM 480 CB VAL A 36 -1.394 -8.755 4.415 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.898 -7.583 3.572 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.435 -9.877 4.401 1.00 0.00 C ATOM 0 H VAL A 36 0.754 -9.993 5.662 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.261 -9.706 2.848 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.231 -8.421 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.836 -7.213 3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.157 -6.784 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.061 -7.916 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.373 -9.508 4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.597 -10.210 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.077 -10.713 5.002 1.00 0.00 H new ATOM 492 N GLU A 37 1.632 -8.053 2.621 1.00 0.00 N ATOM 493 CA GLU A 37 2.617 -6.951 2.441 1.00 0.00 C ATOM 494 C GLU A 37 1.960 -5.798 1.679 1.00 0.00 C ATOM 495 O GLU A 37 0.823 -5.888 1.260 1.00 0.00 O ATOM 496 CB GLU A 37 3.821 -7.464 1.649 1.00 0.00 C ATOM 497 CG GLU A 37 4.940 -7.857 2.616 1.00 0.00 C ATOM 498 CD GLU A 37 5.747 -9.013 2.022 1.00 0.00 C ATOM 499 OE1 GLU A 37 5.213 -9.705 1.169 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.883 -9.188 2.428 1.00 0.00 O ATOM 0 H GLU A 37 1.578 -8.717 1.848 1.00 0.00 H new ATOM 0 HA GLU A 37 2.949 -6.599 3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.532 -8.323 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.173 -6.694 0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.591 -7.003 2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.518 -8.151 3.577 1.00 0.00 H new ATOM 507 N TYR A 38 2.665 -4.717 1.495 1.00 0.00 N ATOM 508 CA TYR A 38 2.078 -3.561 0.761 1.00 0.00 C ATOM 509 C TYR A 38 3.196 -2.767 0.081 1.00 0.00 C ATOM 510 O TYR A 38 4.092 -2.263 0.725 1.00 0.00 O ATOM 511 CB TYR A 38 1.336 -2.655 1.744 1.00 0.00 C ATOM 512 CG TYR A 38 -0.149 -2.901 1.633 1.00 0.00 C ATOM 513 CD1 TYR A 38 -0.908 -2.190 0.696 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.767 -3.841 2.469 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.287 -2.419 0.593 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.146 -4.070 2.366 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.906 -3.360 1.428 1.00 0.00 C ATOM 518 OH TYR A 38 -4.264 -3.584 1.326 1.00 0.00 O ATOM 0 H TYR A 38 3.622 -4.584 1.821 1.00 0.00 H new ATOM 0 HA TYR A 38 1.381 -3.927 0.007 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.673 -2.852 2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.559 -1.610 1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.431 -1.465 0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.181 -4.389 3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.873 -1.870 -0.130 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.623 -4.794 3.010 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.533 -4.267 1.975 1.00 0.00 H new ATOM 528 N LEU A 39 3.147 -2.651 -1.218 1.00 0.00 N ATOM 529 CA LEU A 39 4.204 -1.887 -1.937 1.00 0.00 C ATOM 530 C LEU A 39 3.826 -0.407 -1.963 1.00 0.00 C ATOM 531 O LEU A 39 2.951 0.007 -2.698 1.00 0.00 O ATOM 532 CB LEU A 39 4.329 -2.409 -3.370 1.00 0.00 C ATOM 533 CG LEU A 39 5.453 -1.663 -4.088 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.104 -2.587 -5.120 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.878 -0.435 -4.797 1.00 0.00 C ATOM 0 H LEU A 39 2.421 -3.052 -1.812 1.00 0.00 H new ATOM 0 HA LEU A 39 5.158 -2.012 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.536 -3.479 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.388 -2.270 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 39 6.201 -1.348 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.905 -2.054 -5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.514 -3.463 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.357 -2.903 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.679 0.098 -5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.130 -0.752 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.415 0.225 -4.064 1.00 0.00 H new ATOM 547 N LEU A 40 4.474 0.397 -1.164 1.00 0.00 N ATOM 548 CA LEU A 40 4.145 1.849 -1.143 1.00 0.00 C ATOM 549 C LEU A 40 5.303 2.651 -1.738 1.00 0.00 C ATOM 550 O LEU A 40 6.365 2.125 -2.002 1.00 0.00 O ATOM 551 CB LEU A 40 3.906 2.295 0.301 1.00 0.00 C ATOM 552 CG LEU A 40 3.243 1.159 1.082 1.00 0.00 C ATOM 553 CD1 LEU A 40 4.254 0.551 2.056 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.050 1.709 1.866 1.00 0.00 C ATOM 0 H LEU A 40 5.216 0.110 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 40 3.246 2.023 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.851 2.569 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.272 3.182 0.319 1.00 0.00 H new ATOM 0 HG LEU A 40 2.901 0.392 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.782 -0.258 2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.106 0.160 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.596 1.318 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.577 0.900 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.393 2.476 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.329 2.143 1.174 1.00 0.00 H new ATOM 566 N LYS A 41 5.104 3.924 -1.949 1.00 0.00 N ATOM 567 CA LYS A 41 6.191 4.764 -2.526 1.00 0.00 C ATOM 568 C LYS A 41 6.986 5.413 -1.391 1.00 0.00 C ATOM 569 O LYS A 41 6.707 5.203 -0.227 1.00 0.00 O ATOM 570 CB LYS A 41 5.579 5.855 -3.406 1.00 0.00 C ATOM 571 CG LYS A 41 5.867 5.549 -4.876 1.00 0.00 C ATOM 572 CD LYS A 41 5.776 6.839 -5.694 1.00 0.00 C ATOM 573 CE LYS A 41 4.580 6.758 -6.643 1.00 0.00 C ATOM 574 NZ LYS A 41 4.663 7.863 -7.641 1.00 0.00 N ATOM 0 H LYS A 41 4.235 4.418 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 41 6.853 4.141 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.503 5.910 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.993 6.827 -3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.859 5.110 -4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.153 4.816 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.669 7.697 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.695 6.988 -6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.570 5.794 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.650 6.831 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.850 7.809 -8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.653 8.778 -7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.544 7.773 -8.186 1.00 0.00 H new ATOM 588 N TRP A 42 7.974 6.199 -1.720 1.00 0.00 N ATOM 589 CA TRP A 42 8.783 6.860 -0.656 1.00 0.00 C ATOM 590 C TRP A 42 9.277 8.217 -1.158 1.00 0.00 C ATOM 591 O TRP A 42 9.927 8.313 -2.179 1.00 0.00 O ATOM 592 CB TRP A 42 9.980 5.975 -0.306 1.00 0.00 C ATOM 593 CG TRP A 42 9.492 4.672 0.238 1.00 0.00 C ATOM 594 CD1 TRP A 42 9.333 3.540 -0.485 1.00 0.00 C ATOM 595 CD2 TRP A 42 9.095 4.347 1.600 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.864 2.540 0.346 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.702 2.988 1.643 1.00 0.00 C ATOM 598 CE3 TRP A 42 9.039 5.093 2.794 1.00 0.00 C ATOM 599 CZ2 TRP A 42 8.268 2.389 2.827 1.00 0.00 C ATOM 600 CZ3 TRP A 42 8.603 4.494 3.988 1.00 0.00 C ATOM 601 CH2 TRP A 42 8.219 3.144 4.003 1.00 0.00 C ATOM 0 H TRP A 42 8.256 6.412 -2.677 1.00 0.00 H new ATOM 0 HA TRP A 42 8.168 7.007 0.232 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.592 5.805 -1.192 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.613 6.474 0.428 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.539 3.435 -1.540 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.662 1.588 0.039 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.333 6.132 2.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.972 1.350 2.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.563 5.075 4.898 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.885 2.688 4.923 1.00 0.00 H new ATOM 612 N LYS A 43 8.975 9.267 -0.445 1.00 0.00 N ATOM 613 CA LYS A 43 9.428 10.618 -0.880 1.00 0.00 C ATOM 614 C LYS A 43 10.880 10.830 -0.447 1.00 0.00 C ATOM 615 O LYS A 43 11.621 11.567 -1.067 1.00 0.00 O ATOM 616 CB LYS A 43 8.542 11.684 -0.234 1.00 0.00 C ATOM 617 CG LYS A 43 8.554 11.508 1.286 1.00 0.00 C ATOM 618 CD LYS A 43 9.410 12.606 1.921 1.00 0.00 C ATOM 619 CE LYS A 43 8.532 13.817 2.239 1.00 0.00 C ATOM 620 NZ LYS A 43 9.362 15.054 2.210 1.00 0.00 N ATOM 0 H LYS A 43 8.434 9.248 0.420 1.00 0.00 H new ATOM 0 HA LYS A 43 9.357 10.695 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.901 12.679 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.523 11.602 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.537 11.554 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.951 10.527 1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.880 12.235 2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.213 12.894 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.722 13.893 1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.072 13.698 3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.765 15.878 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.120 14.980 2.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.781 15.169 1.265 1.00 0.00 H new ATOM 634 N GLY A 44 11.292 10.190 0.613 1.00 0.00 N ATOM 635 CA GLY A 44 12.696 10.355 1.085 1.00 0.00 C ATOM 636 C GLY A 44 13.626 9.491 0.234 1.00 0.00 C ATOM 637 O GLY A 44 14.699 9.911 -0.152 1.00 0.00 O ATOM 0 H GLY A 44 10.717 9.560 1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.993 11.402 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.774 10.068 2.134 1.00 0.00 H new ATOM 641 N PHE A 45 13.225 8.284 -0.063 1.00 0.00 N ATOM 642 CA PHE A 45 14.088 7.394 -0.890 1.00 0.00 C ATOM 643 C PHE A 45 13.688 7.521 -2.362 1.00 0.00 C ATOM 644 O PHE A 45 12.812 6.828 -2.839 1.00 0.00 O ATOM 645 CB PHE A 45 13.908 5.944 -0.436 1.00 0.00 C ATOM 646 CG PHE A 45 13.965 5.878 1.071 1.00 0.00 C ATOM 647 CD1 PHE A 45 15.148 6.212 1.744 1.00 0.00 C ATOM 648 CD2 PHE A 45 12.834 5.482 1.799 1.00 0.00 C ATOM 649 CE1 PHE A 45 15.201 6.151 3.142 1.00 0.00 C ATOM 650 CE2 PHE A 45 12.887 5.420 3.197 1.00 0.00 C ATOM 651 CZ PHE A 45 14.071 5.754 3.869 1.00 0.00 C ATOM 0 H PHE A 45 12.337 7.877 0.231 1.00 0.00 H new ATOM 0 HA PHE A 45 15.131 7.685 -0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 45 12.954 5.556 -0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 45 14.688 5.317 -0.868 1.00 0.00 H new ATOM 0 HD1 PHE A 45 16.020 6.517 1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.922 5.225 1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.113 6.410 3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.016 5.115 3.757 1.00 0.00 H new ATOM 0 HZ PHE A 45 14.112 5.705 4.947 1.00 0.00 H new ATOM 661 N SER A 46 14.323 8.403 -3.083 1.00 0.00 N ATOM 662 CA SER A 46 13.979 8.574 -4.523 1.00 0.00 C ATOM 663 C SER A 46 12.469 8.772 -4.665 1.00 0.00 C ATOM 664 O SER A 46 11.778 9.062 -3.709 1.00 0.00 O ATOM 665 CB SER A 46 14.405 7.328 -5.300 1.00 0.00 C ATOM 666 OG SER A 46 13.481 6.278 -5.046 1.00 0.00 O ATOM 0 H SER A 46 15.065 9.012 -2.738 1.00 0.00 H new ATOM 0 HA SER A 46 14.499 9.445 -4.921 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.441 7.546 -6.367 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.409 7.025 -5.002 1.00 0.00 H new ATOM 0 HG SER A 46 13.488 6.060 -4.091 1.00 0.00 H new ATOM 672 N ASP A 47 11.950 8.618 -5.853 1.00 0.00 N ATOM 673 CA ASP A 47 10.485 8.798 -6.054 1.00 0.00 C ATOM 674 C ASP A 47 9.852 7.454 -6.421 1.00 0.00 C ATOM 675 O ASP A 47 8.799 7.396 -7.025 1.00 0.00 O ATOM 676 CB ASP A 47 10.246 9.799 -7.186 1.00 0.00 C ATOM 677 CG ASP A 47 11.146 9.454 -8.374 1.00 0.00 C ATOM 678 OD1 ASP A 47 12.303 9.841 -8.346 1.00 0.00 O ATOM 679 OD2 ASP A 47 10.663 8.810 -9.290 1.00 0.00 O ATOM 0 H ASP A 47 12.477 8.376 -6.692 1.00 0.00 H new ATOM 0 HA ASP A 47 10.035 9.173 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.200 9.776 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.455 10.811 -6.840 1.00 0.00 H new ATOM 684 N GLU A 48 10.485 6.372 -6.059 1.00 0.00 N ATOM 685 CA GLU A 48 9.920 5.033 -6.386 1.00 0.00 C ATOM 686 C GLU A 48 10.945 3.950 -6.045 1.00 0.00 C ATOM 687 O GLU A 48 11.642 3.450 -6.906 1.00 0.00 O ATOM 688 CB GLU A 48 9.587 4.970 -7.879 1.00 0.00 C ATOM 689 CG GLU A 48 10.687 5.676 -8.676 1.00 0.00 C ATOM 690 CD GLU A 48 11.100 4.801 -9.860 1.00 0.00 C ATOM 691 OE1 GLU A 48 10.230 4.171 -10.438 1.00 0.00 O ATOM 692 OE2 GLU A 48 12.280 4.776 -10.169 1.00 0.00 O ATOM 0 H GLU A 48 11.369 6.358 -5.551 1.00 0.00 H new ATOM 0 HA GLU A 48 9.012 4.870 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.500 3.932 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.624 5.444 -8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.330 6.643 -9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.548 5.870 -8.036 1.00 0.00 H new ATOM 699 N ASP A 49 11.044 3.586 -4.796 1.00 0.00 N ATOM 700 CA ASP A 49 12.026 2.536 -4.402 1.00 0.00 C ATOM 701 C ASP A 49 11.336 1.171 -4.389 1.00 0.00 C ATOM 702 O ASP A 49 11.974 0.141 -4.491 1.00 0.00 O ATOM 703 CB ASP A 49 12.569 2.848 -3.006 1.00 0.00 C ATOM 704 CG ASP A 49 13.724 1.898 -2.683 1.00 0.00 C ATOM 705 OD1 ASP A 49 14.099 1.135 -3.558 1.00 0.00 O ATOM 706 OD2 ASP A 49 14.213 1.951 -1.566 1.00 0.00 O ATOM 0 H ASP A 49 10.488 3.970 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 49 12.848 2.519 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.911 3.882 -2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.778 2.741 -2.264 1.00 0.00 H new ATOM 711 N ASN A 50 10.037 1.153 -4.267 1.00 0.00 N ATOM 712 CA ASN A 50 9.307 -0.147 -4.249 1.00 0.00 C ATOM 713 C ASN A 50 9.704 -0.941 -3.002 1.00 0.00 C ATOM 714 O ASN A 50 10.746 -1.565 -2.958 1.00 0.00 O ATOM 715 CB ASN A 50 9.666 -0.951 -5.499 1.00 0.00 C ATOM 716 CG ASN A 50 9.689 -0.023 -6.715 1.00 0.00 C ATOM 717 OD1 ASN A 50 10.582 -0.097 -7.535 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.736 0.856 -6.866 1.00 0.00 N ATOM 0 H ASN A 50 9.449 1.982 -4.179 1.00 0.00 H new ATOM 0 HA ASN A 50 8.234 0.041 -4.233 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.639 -1.425 -5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.940 -1.749 -5.652 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.741 1.481 -7.672 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.986 0.918 -6.178 1.00 0.00 H new ATOM 725 N THR A 51 8.881 -0.924 -1.990 1.00 0.00 N ATOM 726 CA THR A 51 9.211 -1.680 -0.749 1.00 0.00 C ATOM 727 C THR A 51 7.951 -2.365 -0.219 1.00 0.00 C ATOM 728 O THR A 51 6.881 -1.790 -0.197 1.00 0.00 O ATOM 729 CB THR A 51 9.748 -0.715 0.312 1.00 0.00 C ATOM 730 OG1 THR A 51 10.733 0.127 -0.272 1.00 0.00 O ATOM 731 CG2 THR A 51 10.370 -1.511 1.459 1.00 0.00 C ATOM 0 H THR A 51 7.995 -0.420 -1.969 1.00 0.00 H new ATOM 0 HA THR A 51 9.968 -2.431 -0.974 1.00 0.00 H new ATOM 0 HB THR A 51 8.931 -0.106 0.697 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.443 1.061 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.752 -0.824 2.214 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.614 -2.157 1.906 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.188 -2.121 1.077 1.00 0.00 H new ATOM 739 N TRP A 52 8.070 -3.592 0.208 1.00 0.00 N ATOM 740 CA TRP A 52 6.880 -4.317 0.738 1.00 0.00 C ATOM 741 C TRP A 52 6.906 -4.283 2.268 1.00 0.00 C ATOM 742 O TRP A 52 7.800 -4.817 2.894 1.00 0.00 O ATOM 743 CB TRP A 52 6.911 -5.768 0.258 1.00 0.00 C ATOM 744 CG TRP A 52 6.830 -5.802 -1.234 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.895 -5.801 -2.071 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.646 -5.839 -2.082 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.437 -5.836 -3.373 1.00 0.00 N ATOM 748 CE2 TRP A 52 6.066 -5.861 -3.431 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.262 -5.857 -1.817 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.158 -5.898 -4.481 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.337 -5.895 -2.876 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.786 -5.915 -4.207 1.00 0.00 C ATOM 0 H TRP A 52 8.940 -4.124 0.213 1.00 0.00 H new ATOM 0 HA TRP A 52 5.970 -3.837 0.378 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.827 -6.254 0.594 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.079 -6.323 0.691 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.932 -5.777 -1.769 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.044 -5.842 -4.193 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.910 -5.842 -0.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.509 -5.914 -5.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.278 -5.909 -2.665 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.073 -5.943 -5.018 1.00 0.00 H new ATOM 763 N GLU A 53 5.933 -3.661 2.873 1.00 0.00 N ATOM 764 CA GLU A 53 5.904 -3.594 4.361 1.00 0.00 C ATOM 765 C GLU A 53 4.701 -4.384 4.884 1.00 0.00 C ATOM 766 O GLU A 53 3.726 -4.563 4.181 1.00 0.00 O ATOM 767 CB GLU A 53 5.788 -2.135 4.804 1.00 0.00 C ATOM 768 CG GLU A 53 7.145 -1.444 4.649 1.00 0.00 C ATOM 769 CD GLU A 53 8.218 -2.253 5.380 1.00 0.00 C ATOM 770 OE1 GLU A 53 8.072 -2.447 6.576 1.00 0.00 O ATOM 771 OE2 GLU A 53 9.167 -2.663 4.733 1.00 0.00 O ATOM 0 H GLU A 53 5.157 -3.196 2.402 1.00 0.00 H new ATOM 0 HA GLU A 53 6.822 -4.023 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.036 -1.621 4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.459 -2.084 5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.400 -1.353 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.098 -0.433 5.054 1.00 0.00 H new ATOM 778 N PRO A 54 4.809 -4.832 6.108 1.00 0.00 N ATOM 779 CA PRO A 54 3.745 -5.609 6.765 1.00 0.00 C ATOM 780 C PRO A 54 2.626 -4.680 7.245 1.00 0.00 C ATOM 781 O PRO A 54 2.866 -3.707 7.931 1.00 0.00 O ATOM 782 CB PRO A 54 4.459 -6.265 7.950 1.00 0.00 C ATOM 783 CG PRO A 54 5.710 -5.400 8.238 1.00 0.00 C ATOM 784 CD PRO A 54 6.001 -4.606 6.950 1.00 0.00 C ATOM 0 HA PRO A 54 3.273 -6.336 6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.806 -6.307 8.822 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.742 -7.291 7.714 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.531 -4.727 9.076 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.560 -6.026 8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.145 -3.546 7.160 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.908 -4.960 6.460 1.00 0.00 H new ATOM 792 N GLU A 55 1.405 -4.974 6.889 1.00 0.00 N ATOM 793 CA GLU A 55 0.273 -4.108 7.325 1.00 0.00 C ATOM 794 C GLU A 55 0.030 -4.304 8.822 1.00 0.00 C ATOM 795 O GLU A 55 -0.687 -3.549 9.449 1.00 0.00 O ATOM 796 CB GLU A 55 -0.988 -4.487 6.547 1.00 0.00 C ATOM 797 CG GLU A 55 -1.317 -5.961 6.794 1.00 0.00 C ATOM 798 CD GLU A 55 -2.824 -6.120 7.006 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.544 -6.117 6.021 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.231 -6.241 8.150 1.00 0.00 O ATOM 0 H GLU A 55 1.143 -5.776 6.316 1.00 0.00 H new ATOM 0 HA GLU A 55 0.517 -3.064 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.823 -3.860 6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.838 -4.311 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.993 -6.564 5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.776 -6.324 7.668 1.00 0.00 H new ATOM 807 N GLU A 56 0.620 -5.313 9.402 1.00 0.00 N ATOM 808 CA GLU A 56 0.422 -5.558 10.858 1.00 0.00 C ATOM 809 C GLU A 56 1.397 -4.691 11.658 1.00 0.00 C ATOM 810 O GLU A 56 1.541 -4.847 12.854 1.00 0.00 O ATOM 811 CB GLU A 56 0.681 -7.034 11.166 1.00 0.00 C ATOM 812 CG GLU A 56 -0.547 -7.860 10.777 1.00 0.00 C ATOM 813 CD GLU A 56 -1.222 -8.398 12.040 1.00 0.00 C ATOM 814 OE1 GLU A 56 -1.396 -7.626 12.969 1.00 0.00 O ATOM 815 OE2 GLU A 56 -1.553 -9.571 12.058 1.00 0.00 O ATOM 0 H GLU A 56 1.231 -5.979 8.930 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.601 -5.303 11.134 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.556 -7.383 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.898 -7.163 12.226 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.247 -7.245 10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.253 -8.686 10.129 1.00 0.00 H new ATOM 822 N ASN A 57 2.066 -3.780 11.007 1.00 0.00 N ATOM 823 CA ASN A 57 3.031 -2.905 11.732 1.00 0.00 C ATOM 824 C ASN A 57 2.905 -1.470 11.217 1.00 0.00 C ATOM 825 O ASN A 57 2.952 -0.522 11.976 1.00 0.00 O ATOM 826 CB ASN A 57 4.456 -3.409 11.492 1.00 0.00 C ATOM 827 CG ASN A 57 4.936 -4.186 12.718 1.00 0.00 C ATOM 828 OD1 ASN A 57 5.394 -3.602 13.681 1.00 0.00 O ATOM 829 ND2 ASN A 57 4.851 -5.488 12.725 1.00 0.00 N ATOM 0 H ASN A 57 1.987 -3.603 10.006 1.00 0.00 H new ATOM 0 HA ASN A 57 2.812 -2.929 12.799 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.483 -4.048 10.610 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.122 -2.569 11.297 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.169 -6.015 13.538 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.467 -5.978 11.917 1.00 0.00 H new ATOM 836 N LEU A 58 2.744 -1.302 9.934 1.00 0.00 N ATOM 837 CA LEU A 58 2.615 0.073 9.374 1.00 0.00 C ATOM 838 C LEU A 58 1.486 0.812 10.093 1.00 0.00 C ATOM 839 O LEU A 58 0.729 0.228 10.845 1.00 0.00 O ATOM 840 CB LEU A 58 2.300 -0.012 7.879 1.00 0.00 C ATOM 841 CG LEU A 58 3.553 0.329 7.072 1.00 0.00 C ATOM 842 CD1 LEU A 58 3.295 0.061 5.589 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.899 1.806 7.270 1.00 0.00 C ATOM 0 H LEU A 58 2.696 -2.056 9.249 1.00 0.00 H new ATOM 0 HA LEU A 58 3.551 0.613 9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.954 -1.014 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.494 0.677 7.627 1.00 0.00 H new ATOM 0 HG LEU A 58 4.384 -0.289 7.413 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.189 0.304 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.048 -0.991 5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.464 0.678 5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.792 2.051 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.068 2.423 6.929 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.084 1.998 8.327 1.00 0.00 H new ATOM 855 N ASP A 59 1.364 2.091 9.869 1.00 0.00 N ATOM 856 CA ASP A 59 0.282 2.866 10.542 1.00 0.00 C ATOM 857 C ASP A 59 -0.476 3.691 9.500 1.00 0.00 C ATOM 858 O ASP A 59 -0.704 4.872 9.676 1.00 0.00 O ATOM 859 CB ASP A 59 0.898 3.800 11.585 1.00 0.00 C ATOM 860 CG ASP A 59 -0.188 4.270 12.554 1.00 0.00 C ATOM 861 OD1 ASP A 59 -1.294 3.762 12.464 1.00 0.00 O ATOM 862 OD2 ASP A 59 0.104 5.128 13.370 1.00 0.00 O ATOM 0 H ASP A 59 1.966 2.634 9.250 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.408 2.179 11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.688 3.283 12.130 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.358 4.658 11.094 1.00 0.00 H new ATOM 867 N CYS A 60 -0.869 3.080 8.417 1.00 0.00 N ATOM 868 CA CYS A 60 -1.612 3.832 7.367 1.00 0.00 C ATOM 869 C CYS A 60 -2.858 3.041 6.957 1.00 0.00 C ATOM 870 O CYS A 60 -2.898 2.457 5.893 1.00 0.00 O ATOM 871 CB CYS A 60 -0.710 4.029 6.146 1.00 0.00 C ATOM 872 SG CYS A 60 0.035 2.445 5.685 1.00 0.00 S ATOM 0 H CYS A 60 -0.708 2.094 8.214 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.911 4.804 7.760 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.289 4.427 5.313 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.069 4.758 6.370 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.898 1.551 5.544 1.00 0.00 H new ATOM 878 N PRO A 61 -3.841 3.049 7.822 1.00 0.00 N ATOM 879 CA PRO A 61 -5.111 2.341 7.585 1.00 0.00 C ATOM 880 C PRO A 61 -5.996 3.143 6.627 1.00 0.00 C ATOM 881 O PRO A 61 -7.051 2.697 6.220 1.00 0.00 O ATOM 882 CB PRO A 61 -5.742 2.263 8.977 1.00 0.00 C ATOM 883 CG PRO A 61 -5.102 3.400 9.811 1.00 0.00 C ATOM 884 CD PRO A 61 -3.778 3.765 9.111 1.00 0.00 C ATOM 0 HA PRO A 61 -4.979 1.360 7.128 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.824 2.384 8.920 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.554 1.292 9.435 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.765 4.264 9.862 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.922 3.075 10.836 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.688 4.841 8.965 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.916 3.450 9.700 1.00 0.00 H new ATOM 892 N ASP A 62 -5.574 4.322 6.261 1.00 0.00 N ATOM 893 CA ASP A 62 -6.387 5.150 5.330 1.00 0.00 C ATOM 894 C ASP A 62 -6.026 4.789 3.889 1.00 0.00 C ATOM 895 O ASP A 62 -6.875 4.726 3.023 1.00 0.00 O ATOM 896 CB ASP A 62 -6.095 6.632 5.575 1.00 0.00 C ATOM 897 CG ASP A 62 -6.979 7.485 4.664 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.543 6.934 3.733 1.00 0.00 O ATOM 899 OD2 ASP A 62 -7.078 8.676 4.913 1.00 0.00 O ATOM 0 H ASP A 62 -4.699 4.747 6.568 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.446 4.959 5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.282 6.882 6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.044 6.843 5.380 1.00 0.00 H new ATOM 904 N LEU A 63 -4.771 4.545 3.628 1.00 0.00 N ATOM 905 CA LEU A 63 -4.359 4.184 2.246 1.00 0.00 C ATOM 906 C LEU A 63 -4.627 2.698 2.021 1.00 0.00 C ATOM 907 O LEU A 63 -4.848 2.256 0.911 1.00 0.00 O ATOM 908 CB LEU A 63 -2.870 4.469 2.061 1.00 0.00 C ATOM 909 CG LEU A 63 -2.543 5.861 2.605 1.00 0.00 C ATOM 910 CD1 LEU A 63 -1.133 6.263 2.169 1.00 0.00 C ATOM 911 CD2 LEU A 63 -3.553 6.871 2.056 1.00 0.00 C ATOM 0 H LEU A 63 -4.015 4.580 4.312 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.927 4.775 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.278 3.716 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.606 4.409 1.005 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.595 5.847 3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.901 7.255 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.413 5.543 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.079 6.278 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.322 7.864 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.500 6.884 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.558 6.586 2.367 1.00 0.00 H new ATOM 923 N ILE A 64 -4.616 1.923 3.070 1.00 0.00 N ATOM 924 CA ILE A 64 -4.877 0.466 2.920 1.00 0.00 C ATOM 925 C ILE A 64 -6.366 0.257 2.644 1.00 0.00 C ATOM 926 O ILE A 64 -6.751 -0.581 1.853 1.00 0.00 O ATOM 927 CB ILE A 64 -4.484 -0.260 4.207 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.980 -0.096 4.443 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.818 -1.747 4.077 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.625 -0.600 5.843 1.00 0.00 C ATOM 0 H ILE A 64 -4.437 2.237 4.024 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.289 0.067 2.093 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.035 0.164 5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.420 -0.653 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.697 0.952 4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.538 -2.264 4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.888 -1.866 3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.267 -2.172 3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.554 -0.483 6.011 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.174 -0.023 6.587 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.893 -1.653 5.930 1.00 0.00 H new ATOM 942 N ALA A 65 -7.206 1.021 3.288 1.00 0.00 N ATOM 943 CA ALA A 65 -8.670 0.880 3.062 1.00 0.00 C ATOM 944 C ALA A 65 -9.111 1.847 1.962 1.00 0.00 C ATOM 945 O ALA A 65 -10.266 1.890 1.585 1.00 0.00 O ATOM 946 CB ALA A 65 -9.419 1.202 4.357 1.00 0.00 C ATOM 0 H ALA A 65 -6.939 1.738 3.962 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.895 -0.142 2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.492 1.099 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.104 0.513 5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.195 2.224 4.662 1.00 0.00 H new ATOM 952 N GLU A 66 -8.199 2.624 1.440 1.00 0.00 N ATOM 953 CA GLU A 66 -8.565 3.584 0.363 1.00 0.00 C ATOM 954 C GLU A 66 -8.075 3.042 -0.979 1.00 0.00 C ATOM 955 O GLU A 66 -8.603 3.366 -2.025 1.00 0.00 O ATOM 956 CB GLU A 66 -7.907 4.938 0.640 1.00 0.00 C ATOM 957 CG GLU A 66 -8.185 5.891 -0.524 1.00 0.00 C ATOM 958 CD GLU A 66 -7.066 5.770 -1.561 1.00 0.00 C ATOM 959 OE1 GLU A 66 -5.922 5.651 -1.156 1.00 0.00 O ATOM 960 OE2 GLU A 66 -7.374 5.801 -2.741 1.00 0.00 O ATOM 0 H GLU A 66 -7.217 2.634 1.714 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.647 3.709 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.294 5.359 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.832 4.812 0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.146 5.654 -0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.249 6.917 -0.161 1.00 0.00 H new ATOM 967 N PHE A 67 -7.068 2.214 -0.955 1.00 0.00 N ATOM 968 CA PHE A 67 -6.540 1.641 -2.223 1.00 0.00 C ATOM 969 C PHE A 67 -7.221 0.298 -2.488 1.00 0.00 C ATOM 970 O PHE A 67 -7.238 -0.193 -3.598 1.00 0.00 O ATOM 971 CB PHE A 67 -5.028 1.436 -2.097 1.00 0.00 C ATOM 972 CG PHE A 67 -4.537 0.560 -3.224 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.244 1.121 -4.474 1.00 0.00 C ATOM 974 CD2 PHE A 67 -4.377 -0.818 -3.021 1.00 0.00 C ATOM 975 CE1 PHE A 67 -3.790 0.307 -5.519 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.923 -1.633 -4.066 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.630 -1.070 -5.316 1.00 0.00 C ATOM 0 H PHE A 67 -6.587 1.909 -0.109 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.743 2.322 -3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.517 2.399 -2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.792 0.976 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.368 2.182 -4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.604 -1.251 -2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.563 0.741 -6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.799 -2.694 -3.909 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.281 -1.698 -6.123 1.00 0.00 H new ATOM 987 N LEU A 68 -7.783 -0.301 -1.473 1.00 0.00 N ATOM 988 CA LEU A 68 -8.463 -1.611 -1.666 1.00 0.00 C ATOM 989 C LEU A 68 -9.907 -1.371 -2.113 1.00 0.00 C ATOM 990 O LEU A 68 -10.580 -2.268 -2.580 1.00 0.00 O ATOM 991 CB LEU A 68 -8.432 -2.403 -0.349 1.00 0.00 C ATOM 992 CG LEU A 68 -9.538 -1.921 0.596 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.870 -2.570 0.209 1.00 0.00 C ATOM 994 CD2 LEU A 68 -9.185 -2.321 2.029 1.00 0.00 C ATOM 0 H LEU A 68 -7.800 0.061 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.947 -2.188 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.559 -3.466 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.460 -2.285 0.130 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.628 -0.837 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.653 -2.224 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.125 -2.295 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.781 -3.654 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.969 -1.980 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.097 -3.406 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.237 -1.863 2.312 1.00 0.00 H new ATOM 1006 N GLN A 69 -10.386 -0.165 -1.974 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.785 0.134 -2.393 1.00 0.00 C ATOM 1008 C GLN A 69 -11.777 0.721 -3.805 1.00 0.00 C ATOM 1009 O GLN A 69 -12.629 0.421 -4.617 1.00 0.00 O ATOM 1010 CB GLN A 69 -12.401 1.145 -1.423 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.915 0.935 -1.360 1.00 0.00 C ATOM 1012 CD GLN A 69 -14.358 0.848 0.102 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -13.915 -0.014 0.833 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -15.222 1.712 0.562 1.00 0.00 N ATOM 0 H GLN A 69 -9.870 0.626 -1.589 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.373 -0.783 -2.384 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.965 1.025 -0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.177 2.161 -1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.428 1.758 -1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.188 0.022 -1.889 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.595 2.437 -0.052 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.524 1.662 1.535 1.00 0.00 H new ATOM 1023 N SER A 70 -10.818 1.554 -4.106 1.00 0.00 N ATOM 1024 CA SER A 70 -10.754 2.158 -5.466 1.00 0.00 C ATOM 1025 C SER A 70 -10.706 1.044 -6.514 1.00 0.00 C ATOM 1026 O SER A 70 -11.499 1.009 -7.434 1.00 0.00 O ATOM 1027 CB SER A 70 -9.499 3.022 -5.583 1.00 0.00 C ATOM 1028 OG SER A 70 -9.179 3.560 -4.308 1.00 0.00 O ATOM 0 H SER A 70 -10.076 1.842 -3.468 1.00 0.00 H new ATOM 0 HA SER A 70 -11.636 2.777 -5.631 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.667 2.426 -5.958 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.663 3.827 -6.299 1.00 0.00 H new ATOM 0 HG SER A 70 -8.690 2.892 -3.784 1.00 0.00 H new ATOM 1034 N GLN A 71 -9.781 0.134 -6.382 1.00 0.00 N ATOM 1035 CA GLN A 71 -9.682 -0.977 -7.370 1.00 0.00 C ATOM 1036 C GLN A 71 -11.073 -1.563 -7.616 1.00 0.00 C ATOM 1037 O GLN A 71 -11.360 -2.082 -8.677 1.00 0.00 O ATOM 1038 CB GLN A 71 -8.758 -2.067 -6.821 1.00 0.00 C ATOM 1039 CG GLN A 71 -9.365 -2.658 -5.547 1.00 0.00 C ATOM 1040 CD GLN A 71 -8.669 -3.978 -5.213 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -7.500 -4.152 -5.501 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -9.340 -4.922 -4.613 1.00 0.00 N ATOM 0 H GLN A 71 -9.089 0.112 -5.633 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.276 -0.596 -8.307 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.618 -2.850 -7.567 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.774 -1.650 -6.608 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.254 -1.957 -4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.434 -2.823 -5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.320 -4.776 -4.371 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.884 -5.806 -4.385 1.00 0.00 H new