USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 266 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 CYS SG : rot -161:sc= -0.714 USER MOD Set 1.2: A 25 CYS SG : rot 151:sc= 0.724 USER MOD Set 1.3: A 41 CYS SG : rot 180:sc= 0.504 USER MOD Set 1.4: A 42 SER OG : rot 68:sc=0.000363 USER MOD Set 1.5: A 45 CYS SG : rot 152:sc= 0.694 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -140:sc= -0.106 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 160:sc= 0.0747 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= -2.05 K(o=-2.1,f=-4.9) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 237 N GLY A 18 10.581 9.273 9.160 1.00 0.00 N ATOM 238 CA GLY A 18 9.910 10.547 8.984 1.00 0.00 C ATOM 239 C GLY A 18 9.090 10.599 7.710 1.00 0.00 C ATOM 240 O GLY A 18 8.110 11.339 7.625 1.00 0.00 O ATOM 0 HA2 GLY A 18 9.260 10.733 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.652 11.346 8.968 1.00 0.00 H new ATOM 244 N GLU A 19 9.492 9.813 6.716 1.00 0.00 N ATOM 245 CA GLU A 19 8.788 9.775 5.440 1.00 0.00 C ATOM 246 C GLU A 19 7.700 8.705 5.450 1.00 0.00 C ATOM 247 O GLU A 19 7.695 7.798 6.281 1.00 0.00 O ATOM 248 CB GLU A 19 9.771 9.508 4.298 1.00 0.00 C ATOM 249 CG GLU A 19 10.273 10.771 3.619 1.00 0.00 C ATOM 250 CD GLU A 19 10.611 11.870 4.608 1.00 0.00 C ATOM 251 OE1 GLU A 19 11.560 11.684 5.398 1.00 0.00 O ATOM 252 OE2 GLU A 19 9.928 12.915 4.591 1.00 0.00 O ATOM 0 H GLU A 19 10.301 9.194 6.770 1.00 0.00 H new ATOM 0 HA GLU A 19 8.317 10.746 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.624 8.951 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.288 8.874 3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.158 10.534 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.514 11.132 2.925 1.00 0.00 H new ATOM 259 N PRO A 20 6.756 8.814 4.504 1.00 0.00 N ATOM 260 CA PRO A 20 5.645 7.865 4.382 1.00 0.00 C ATOM 261 C PRO A 20 6.105 6.492 3.904 1.00 0.00 C ATOM 262 O PRO A 20 7.047 6.382 3.119 1.00 0.00 O ATOM 263 CB PRO A 20 4.734 8.517 3.339 1.00 0.00 C ATOM 264 CG PRO A 20 5.641 9.381 2.531 1.00 0.00 C ATOM 265 CD PRO A 20 6.699 9.871 3.480 1.00 0.00 C ATOM 0 HA PRO A 20 5.157 7.683 5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.244 7.768 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.946 9.103 3.812 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.084 8.820 1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.095 10.215 2.090 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.659 9.998 2.980 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.435 10.836 3.913 1.00 0.00 H new ATOM 273 N ILE A 21 5.434 5.449 4.381 1.00 0.00 N ATOM 274 CA ILE A 21 5.774 4.084 4.000 1.00 0.00 C ATOM 275 C ILE A 21 4.535 3.312 3.558 1.00 0.00 C ATOM 276 O ILE A 21 3.439 3.525 4.078 1.00 0.00 O ATOM 277 CB ILE A 21 6.449 3.328 5.159 1.00 0.00 C ATOM 278 CG1 ILE A 21 7.727 4.050 5.592 1.00 0.00 C ATOM 279 CG2 ILE A 21 6.758 1.896 4.748 1.00 0.00 C ATOM 280 CD1 ILE A 21 8.037 3.899 7.064 1.00 0.00 C ATOM 0 H ILE A 21 4.652 5.523 5.032 1.00 0.00 H new ATOM 0 HA ILE A 21 6.473 4.154 3.166 1.00 0.00 H new ATOM 0 HB ILE A 21 5.763 3.303 6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.566 3.666 5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.634 5.110 5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.235 1.374 5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.832 1.386 4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.429 1.901 3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.956 4.436 7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.216 4.309 7.653 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.163 2.843 7.303 1.00 0.00 H new ATOM 292 N CYS A 22 4.716 2.414 2.596 1.00 0.00 N ATOM 293 CA CYS A 22 3.615 1.608 2.084 1.00 0.00 C ATOM 294 C CYS A 22 2.833 0.967 3.227 1.00 0.00 C ATOM 295 O CYS A 22 3.413 0.514 4.214 1.00 0.00 O ATOM 296 CB CYS A 22 4.143 0.524 1.142 1.00 0.00 C ATOM 297 SG CYS A 22 3.007 0.104 -0.219 1.00 0.00 S ATOM 0 H CYS A 22 5.616 2.226 2.155 1.00 0.00 H new ATOM 0 HA CYS A 22 2.944 2.265 1.531 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.092 0.855 0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.348 -0.377 1.721 1.00 0.00 H new ATOM 0 HG CYS A 22 3.325 -1.058 -0.707 1.00 0.00 H new ATOM 302 N VAL A 23 1.511 0.932 3.086 1.00 0.00 N ATOM 303 CA VAL A 23 0.649 0.345 4.105 1.00 0.00 C ATOM 304 C VAL A 23 0.361 -1.121 3.804 1.00 0.00 C ATOM 305 O VAL A 23 -0.317 -1.803 4.572 1.00 0.00 O ATOM 306 CB VAL A 23 -0.686 1.106 4.217 1.00 0.00 C ATOM 307 CG1 VAL A 23 -0.465 2.486 4.816 1.00 0.00 C ATOM 308 CG2 VAL A 23 -1.356 1.208 2.855 1.00 0.00 C ATOM 0 H VAL A 23 1.014 1.303 2.276 1.00 0.00 H new ATOM 0 HA VAL A 23 1.183 0.420 5.052 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.347 0.550 4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.419 3.009 4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.031 2.386 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.213 3.054 4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.298 1.748 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.701 1.742 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.550 0.207 2.469 1.00 0.00 H new ATOM 318 N VAL A 24 0.883 -1.602 2.680 1.00 0.00 N ATOM 319 CA VAL A 24 0.683 -2.989 2.277 1.00 0.00 C ATOM 320 C VAL A 24 2.015 -3.721 2.149 1.00 0.00 C ATOM 321 O VAL A 24 2.093 -4.932 2.356 1.00 0.00 O ATOM 322 CB VAL A 24 -0.071 -3.082 0.937 1.00 0.00 C ATOM 323 CG1 VAL A 24 -1.507 -2.606 1.099 1.00 0.00 C ATOM 324 CG2 VAL A 24 0.648 -2.278 -0.136 1.00 0.00 C ATOM 0 H VAL A 24 1.447 -1.052 2.033 1.00 0.00 H new ATOM 0 HA VAL A 24 0.084 -3.461 3.056 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.092 -4.126 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.025 -2.679 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.016 -3.228 1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.511 -1.569 1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.101 -2.355 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.702 -1.233 0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.656 -2.670 -0.270 1.00 0.00 H new ATOM 334 N CYS A 25 3.062 -2.978 1.807 1.00 0.00 N ATOM 335 CA CYS A 25 4.392 -3.554 1.651 1.00 0.00 C ATOM 336 C CYS A 25 5.201 -3.411 2.937 1.00 0.00 C ATOM 337 O CYS A 25 5.330 -4.359 3.710 1.00 0.00 O ATOM 338 CB CYS A 25 5.130 -2.880 0.493 1.00 0.00 C ATOM 339 SG CYS A 25 4.365 -3.155 -1.137 1.00 0.00 S ATOM 0 H CYS A 25 3.015 -1.974 1.632 1.00 0.00 H new ATOM 0 HA CYS A 25 4.278 -4.615 1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.180 -1.808 0.683 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.156 -3.247 0.467 1.00 0.00 H new ATOM 0 HG CYS A 25 4.616 -2.141 -1.911 1.00 0.00 H new ATOM 344 N GLY A 26 5.744 -2.218 3.159 1.00 0.00 N ATOM 345 CA GLY A 26 6.533 -1.972 4.351 1.00 0.00 C ATOM 346 C GLY A 26 7.924 -1.463 4.031 1.00 0.00 C ATOM 347 O GLY A 26 8.915 -1.972 4.557 1.00 0.00 O ATOM 0 H GLY A 26 5.651 -1.417 2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.019 -1.245 4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.611 -2.893 4.928 1.00 0.00 H new ATOM 351 N ARG A 27 8.001 -0.458 3.165 1.00 0.00 N ATOM 352 CA ARG A 27 9.282 0.117 2.772 1.00 0.00 C ATOM 353 C ARG A 27 9.184 1.636 2.661 1.00 0.00 C ATOM 354 O ARG A 27 9.697 2.365 3.510 1.00 0.00 O ATOM 355 CB ARG A 27 9.744 -0.474 1.439 1.00 0.00 C ATOM 356 CG ARG A 27 9.929 -1.983 1.474 1.00 0.00 C ATOM 357 CD ARG A 27 8.862 -2.694 0.656 1.00 0.00 C ATOM 358 NE ARG A 27 9.331 -3.978 0.143 1.00 0.00 N ATOM 359 CZ ARG A 27 8.763 -4.614 -0.876 1.00 0.00 C ATOM 360 NH1 ARG A 27 7.712 -4.087 -1.488 1.00 0.00 N ATOM 361 NH2 ARG A 27 9.248 -5.780 -1.285 1.00 0.00 N ATOM 0 H ARG A 27 7.191 -0.025 2.722 1.00 0.00 H new ATOM 0 HA ARG A 27 10.013 -0.128 3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.015 -0.223 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.686 -0.007 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.916 -2.239 1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.890 -2.332 2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.977 -2.851 1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.561 -2.059 -0.177 1.00 0.00 H new ATOM 0 HE ARG A 27 10.139 -4.410 0.591 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.337 -3.191 -1.177 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.278 -4.578 -2.270 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.057 -6.188 -0.817 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.812 -6.268 -2.067 1.00 0.00 H new ATOM 375 N TYR A 28 8.523 2.105 1.608 1.00 0.00 N ATOM 376 CA TYR A 28 8.361 3.536 1.384 1.00 0.00 C ATOM 377 C TYR A 28 7.094 3.822 0.583 1.00 0.00 C ATOM 378 O TYR A 28 6.673 3.015 -0.244 1.00 0.00 O ATOM 379 CB TYR A 28 9.579 4.100 0.650 1.00 0.00 C ATOM 380 CG TYR A 28 9.423 5.547 0.240 1.00 0.00 C ATOM 381 CD1 TYR A 28 9.213 6.540 1.189 1.00 0.00 C ATOM 382 CD2 TYR A 28 9.486 5.921 -1.097 1.00 0.00 C ATOM 383 CE1 TYR A 28 9.069 7.863 0.818 1.00 0.00 C ATOM 384 CE2 TYR A 28 9.345 7.242 -1.476 1.00 0.00 C ATOM 385 CZ TYR A 28 9.136 8.209 -0.515 1.00 0.00 C ATOM 386 OH TYR A 28 8.994 9.526 -0.888 1.00 0.00 O ATOM 0 H TYR A 28 8.091 1.515 0.897 1.00 0.00 H new ATOM 0 HA TYR A 28 8.273 4.022 2.356 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.455 4.005 1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.768 3.498 -0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.161 6.273 2.234 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.648 5.166 -1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.905 8.622 1.568 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.398 7.516 -2.519 1.00 0.00 H new ATOM 0 HH TYR A 28 9.068 9.600 -1.862 1.00 0.00 H new ATOM 396 N GLY A 29 6.490 4.979 0.837 1.00 0.00 N ATOM 397 CA GLY A 29 5.277 5.353 0.132 1.00 0.00 C ATOM 398 C GLY A 29 5.454 6.606 -0.702 1.00 0.00 C ATOM 399 O GLY A 29 4.949 7.671 -0.348 1.00 0.00 O ATOM 0 H GLY A 29 6.819 5.664 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.968 4.531 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.475 5.511 0.853 1.00 0.00 H new ATOM 403 N GLU A 30 6.176 6.480 -1.811 1.00 0.00 N ATOM 404 CA GLU A 30 6.420 7.613 -2.696 1.00 0.00 C ATOM 405 C GLU A 30 5.106 8.249 -3.141 1.00 0.00 C ATOM 406 O GLU A 30 5.059 9.432 -3.478 1.00 0.00 O ATOM 407 CB GLU A 30 7.225 7.169 -3.919 1.00 0.00 C ATOM 408 CG GLU A 30 7.831 8.323 -4.700 1.00 0.00 C ATOM 409 CD GLU A 30 9.131 7.946 -5.384 1.00 0.00 C ATOM 410 OE1 GLU A 30 9.077 7.224 -6.402 1.00 0.00 O ATOM 411 OE2 GLU A 30 10.201 8.371 -4.902 1.00 0.00 O ATOM 0 H GLU A 30 6.602 5.605 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 30 6.994 8.356 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.023 6.501 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.577 6.594 -4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.117 8.665 -5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.010 9.160 -4.025 1.00 0.00 H new ATOM 418 N TYR A 31 4.041 7.454 -3.141 1.00 0.00 N ATOM 419 CA TYR A 31 2.727 7.937 -3.547 1.00 0.00 C ATOM 420 C TYR A 31 1.800 8.073 -2.343 1.00 0.00 C ATOM 421 O TYR A 31 1.887 7.301 -1.388 1.00 0.00 O ATOM 422 CB TYR A 31 2.108 6.989 -4.576 1.00 0.00 C ATOM 423 CG TYR A 31 2.880 6.917 -5.874 1.00 0.00 C ATOM 424 CD1 TYR A 31 3.402 8.064 -6.459 1.00 0.00 C ATOM 425 CD2 TYR A 31 3.087 5.702 -6.516 1.00 0.00 C ATOM 426 CE1 TYR A 31 4.108 8.003 -7.645 1.00 0.00 C ATOM 427 CE2 TYR A 31 3.793 5.632 -7.701 1.00 0.00 C ATOM 428 CZ TYR A 31 4.301 6.785 -8.262 1.00 0.00 C ATOM 429 OH TYR A 31 5.003 6.719 -9.444 1.00 0.00 O ATOM 0 H TYR A 31 4.063 6.472 -2.864 1.00 0.00 H new ATOM 0 HA TYR A 31 2.853 8.921 -3.998 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.044 5.990 -4.145 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.088 7.311 -4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.253 9.020 -5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.689 4.797 -6.081 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.507 8.904 -8.087 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.946 4.679 -8.186 1.00 0.00 H new ATOM 0 HH TYR A 31 5.049 5.788 -9.745 1.00 0.00 H new ATOM 439 N ILE A 32 0.913 9.061 -2.396 1.00 0.00 N ATOM 440 CA ILE A 32 -0.031 9.298 -1.312 1.00 0.00 C ATOM 441 C ILE A 32 -1.410 9.662 -1.853 1.00 0.00 C ATOM 442 O ILE A 32 -1.546 10.571 -2.673 1.00 0.00 O ATOM 443 CB ILE A 32 0.454 10.423 -0.378 1.00 0.00 C ATOM 444 CG1 ILE A 32 1.740 10.003 0.336 1.00 0.00 C ATOM 445 CG2 ILE A 32 -0.627 10.777 0.631 1.00 0.00 C ATOM 446 CD1 ILE A 32 2.999 10.480 -0.354 1.00 0.00 C ATOM 0 H ILE A 32 0.829 9.710 -3.178 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.099 8.370 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 32 0.666 11.308 -0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.724 10.392 1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.766 8.916 0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.269 11.573 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.520 11.113 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.868 9.898 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.871 10.145 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.038 10.070 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.996 11.569 -0.405 1.00 0.00 H new ATOM 458 N CYS A 33 -2.429 8.948 -1.388 1.00 0.00 N ATOM 459 CA CYS A 33 -3.799 9.196 -1.824 1.00 0.00 C ATOM 460 C CYS A 33 -4.310 10.526 -1.281 1.00 0.00 C ATOM 461 O CYS A 33 -3.572 11.268 -0.633 1.00 0.00 O ATOM 462 CB CYS A 33 -4.715 8.059 -1.369 1.00 0.00 C ATOM 463 SG CYS A 33 -5.888 7.507 -2.629 1.00 0.00 S ATOM 0 H CYS A 33 -2.333 8.193 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.805 9.243 -2.913 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.101 7.212 -1.064 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.270 8.384 -0.489 1.00 0.00 H new ATOM 0 HG CYS A 33 -7.038 7.263 -2.074 1.00 0.00 H new ATOM 469 N ASP A 34 -5.577 10.821 -1.550 1.00 0.00 N ATOM 470 CA ASP A 34 -6.187 12.062 -1.089 1.00 0.00 C ATOM 471 C ASP A 34 -7.245 11.785 -0.025 1.00 0.00 C ATOM 472 O ASP A 34 -7.147 12.267 1.104 1.00 0.00 O ATOM 473 CB ASP A 34 -6.813 12.815 -2.264 1.00 0.00 C ATOM 474 CG ASP A 34 -6.226 14.201 -2.443 1.00 0.00 C ATOM 475 OD1 ASP A 34 -6.550 15.092 -1.630 1.00 0.00 O ATOM 476 OD2 ASP A 34 -5.443 14.396 -3.396 1.00 0.00 O ATOM 0 H ASP A 34 -6.201 10.217 -2.085 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.405 12.680 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.667 12.241 -3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.889 12.897 -2.108 1.00 0.00 H new ATOM 481 N LYS A 35 -8.257 11.007 -0.393 1.00 0.00 N ATOM 482 CA LYS A 35 -9.334 10.664 0.529 1.00 0.00 C ATOM 483 C LYS A 35 -8.781 10.015 1.794 1.00 0.00 C ATOM 484 O LYS A 35 -9.037 10.479 2.906 1.00 0.00 O ATOM 485 CB LYS A 35 -10.331 9.721 -0.147 1.00 0.00 C ATOM 486 CG LYS A 35 -11.078 10.356 -1.307 1.00 0.00 C ATOM 487 CD LYS A 35 -10.445 9.997 -2.641 1.00 0.00 C ATOM 488 CE LYS A 35 -11.498 9.631 -3.677 1.00 0.00 C ATOM 489 NZ LYS A 35 -11.964 8.225 -3.520 1.00 0.00 N ATOM 0 H LYS A 35 -8.354 10.602 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.847 11.585 0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.799 8.840 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.052 9.377 0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.117 10.027 -1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.086 11.439 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.854 10.838 -3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.759 9.160 -2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.348 10.308 -3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.087 9.768 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.680 8.014 -4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.158 7.578 -3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.380 8.101 -2.575 1.00 0.00 H new ATOM 503 N THR A 36 -8.020 8.939 1.618 1.00 0.00 N ATOM 504 CA THR A 36 -7.432 8.227 2.745 1.00 0.00 C ATOM 505 C THR A 36 -6.101 8.848 3.153 1.00 0.00 C ATOM 506 O THR A 36 -5.674 8.726 4.302 1.00 0.00 O ATOM 507 CB THR A 36 -7.210 6.739 2.415 1.00 0.00 C ATOM 508 OG1 THR A 36 -6.913 6.584 1.022 1.00 0.00 O ATOM 509 CG2 THR A 36 -8.440 5.917 2.769 1.00 0.00 C ATOM 0 H THR A 36 -7.797 8.542 0.705 1.00 0.00 H new ATOM 0 HA THR A 36 -8.137 8.307 3.572 1.00 0.00 H new ATOM 0 HB THR A 36 -6.369 6.381 3.008 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.468 5.723 0.876 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.260 4.870 2.527 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.647 6.013 3.835 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.296 6.279 2.199 1.00 0.00 H new ATOM 517 N ASP A 37 -5.450 9.516 2.207 1.00 0.00 N ATOM 518 CA ASP A 37 -4.167 10.158 2.470 1.00 0.00 C ATOM 519 C ASP A 37 -3.114 9.128 2.865 1.00 0.00 C ATOM 520 O ASP A 37 -2.077 9.473 3.430 1.00 0.00 O ATOM 521 CB ASP A 37 -4.314 11.206 3.574 1.00 0.00 C ATOM 522 CG ASP A 37 -5.543 12.074 3.389 1.00 0.00 C ATOM 523 OD1 ASP A 37 -6.639 11.650 3.813 1.00 0.00 O ATOM 524 OD2 ASP A 37 -5.409 13.178 2.820 1.00 0.00 O ATOM 0 H ASP A 37 -5.789 9.627 1.252 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.841 10.650 1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.368 10.706 4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.426 11.838 3.592 1.00 0.00 H new ATOM 529 N GLU A 38 -3.390 7.863 2.566 1.00 0.00 N ATOM 530 CA GLU A 38 -2.466 6.783 2.893 1.00 0.00 C ATOM 531 C GLU A 38 -1.149 6.947 2.140 1.00 0.00 C ATOM 532 O GLU A 38 -0.895 7.986 1.531 1.00 0.00 O ATOM 533 CB GLU A 38 -3.092 5.427 2.558 1.00 0.00 C ATOM 534 CG GLU A 38 -3.062 4.441 3.713 1.00 0.00 C ATOM 535 CD GLU A 38 -4.020 4.816 4.826 1.00 0.00 C ATOM 536 OE1 GLU A 38 -4.599 5.921 4.764 1.00 0.00 O ATOM 537 OE2 GLU A 38 -4.192 4.004 5.759 1.00 0.00 O ATOM 0 H GLU A 38 -4.245 7.561 2.099 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.261 6.826 3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.126 5.580 2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.566 4.994 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.312 3.447 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.050 4.387 4.113 1.00 0.00 H new ATOM 544 N ASP A 39 -0.315 5.914 2.187 1.00 0.00 N ATOM 545 CA ASP A 39 0.976 5.942 1.509 1.00 0.00 C ATOM 546 C ASP A 39 1.248 4.618 0.801 1.00 0.00 C ATOM 547 O ASP A 39 1.061 3.546 1.376 1.00 0.00 O ATOM 548 CB ASP A 39 2.095 6.239 2.509 1.00 0.00 C ATOM 549 CG ASP A 39 1.816 7.476 3.340 1.00 0.00 C ATOM 550 OD1 ASP A 39 1.338 8.478 2.769 1.00 0.00 O ATOM 551 OD2 ASP A 39 2.075 7.442 4.561 1.00 0.00 O ATOM 0 H ASP A 39 -0.510 5.047 2.687 1.00 0.00 H new ATOM 0 HA ASP A 39 0.948 6.734 0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.224 5.382 3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.034 6.371 1.971 1.00 0.00 H new ATOM 556 N VAL A 40 1.688 4.701 -0.450 1.00 0.00 N ATOM 557 CA VAL A 40 1.985 3.510 -1.237 1.00 0.00 C ATOM 558 C VAL A 40 3.220 3.719 -2.105 1.00 0.00 C ATOM 559 O VAL A 40 3.640 4.852 -2.345 1.00 0.00 O ATOM 560 CB VAL A 40 0.798 3.122 -2.138 1.00 0.00 C ATOM 561 CG1 VAL A 40 -0.301 2.462 -1.318 1.00 0.00 C ATOM 562 CG2 VAL A 40 0.266 4.343 -2.873 1.00 0.00 C ATOM 0 H VAL A 40 1.847 5.581 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 40 2.174 2.702 -0.530 1.00 0.00 H new ATOM 0 HB VAL A 40 1.146 2.403 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.132 2.195 -1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.090 1.563 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.650 3.155 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.572 4.050 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.067 5.087 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.056 4.768 -3.492 1.00 0.00 H new ATOM 572 N CYS A 41 3.799 2.619 -2.575 1.00 0.00 N ATOM 573 CA CYS A 41 4.988 2.680 -3.418 1.00 0.00 C ATOM 574 C CYS A 41 4.610 2.621 -4.895 1.00 0.00 C ATOM 575 O CYS A 41 5.211 3.300 -5.728 1.00 0.00 O ATOM 576 CB CYS A 41 5.940 1.533 -3.077 1.00 0.00 C ATOM 577 SG CYS A 41 5.237 -0.125 -3.358 1.00 0.00 S ATOM 0 H CYS A 41 3.464 1.674 -2.386 1.00 0.00 H new ATOM 0 HA CYS A 41 5.491 3.628 -3.227 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.846 1.638 -3.673 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.235 1.618 -2.031 1.00 0.00 H new ATOM 0 HG CYS A 41 6.117 -1.029 -3.043 1.00 0.00 H new ATOM 582 N SER A 42 3.611 1.804 -5.213 1.00 0.00 N ATOM 583 CA SER A 42 3.155 1.653 -6.590 1.00 0.00 C ATOM 584 C SER A 42 1.676 2.003 -6.714 1.00 0.00 C ATOM 585 O SER A 42 1.051 2.460 -5.755 1.00 0.00 O ATOM 586 CB SER A 42 3.395 0.222 -7.074 1.00 0.00 C ATOM 587 OG SER A 42 4.777 -0.093 -7.072 1.00 0.00 O ATOM 0 H SER A 42 3.102 1.236 -4.536 1.00 0.00 H new ATOM 0 HA SER A 42 3.726 2.341 -7.214 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.859 -0.477 -6.432 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.993 0.103 -8.080 1.00 0.00 H new ATOM 0 HG SER A 42 5.103 -0.131 -6.148 1.00 0.00 H new ATOM 593 N LEU A 43 1.120 1.785 -7.901 1.00 0.00 N ATOM 594 CA LEU A 43 -0.287 2.076 -8.152 1.00 0.00 C ATOM 595 C LEU A 43 -1.173 0.926 -7.685 1.00 0.00 C ATOM 596 O LEU A 43 -2.307 1.139 -7.256 1.00 0.00 O ATOM 597 CB LEU A 43 -0.515 2.338 -9.642 1.00 0.00 C ATOM 598 CG LEU A 43 -0.378 3.792 -10.097 1.00 0.00 C ATOM 599 CD1 LEU A 43 -0.615 3.907 -11.594 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.345 4.683 -9.331 1.00 0.00 C ATOM 0 H LEU A 43 1.622 1.408 -8.705 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.555 2.969 -7.587 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.192 1.733 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.514 1.989 -9.903 1.00 0.00 H new ATOM 0 HG LEU A 43 0.638 4.126 -9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.513 4.948 -11.900 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.117 3.300 -12.126 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.619 3.556 -11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.234 5.714 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.367 4.350 -9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.127 4.624 -8.265 1.00 0.00 H new ATOM 612 N GLU A 44 -0.647 -0.292 -7.769 1.00 0.00 N ATOM 613 CA GLU A 44 -1.391 -1.475 -7.353 1.00 0.00 C ATOM 614 C GLU A 44 -1.652 -1.453 -5.849 1.00 0.00 C ATOM 615 O GLU A 44 -2.702 -1.895 -5.383 1.00 0.00 O ATOM 616 CB GLU A 44 -0.626 -2.745 -7.731 1.00 0.00 C ATOM 617 CG GLU A 44 -1.289 -4.022 -7.243 1.00 0.00 C ATOM 618 CD GLU A 44 -0.703 -5.265 -7.885 1.00 0.00 C ATOM 619 OE1 GLU A 44 -0.160 -5.154 -9.005 1.00 0.00 O ATOM 620 OE2 GLU A 44 -0.788 -6.348 -7.270 1.00 0.00 O ATOM 0 H GLU A 44 0.291 -0.485 -8.121 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.350 -1.470 -7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.525 -2.789 -8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.382 -2.688 -7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.182 -4.092 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.357 -3.977 -7.456 1.00 0.00 H new ATOM 627 N CYS A 45 -0.687 -0.936 -5.096 1.00 0.00 N ATOM 628 CA CYS A 45 -0.810 -0.856 -3.645 1.00 0.00 C ATOM 629 C CYS A 45 -1.908 0.125 -3.245 1.00 0.00 C ATOM 630 O CYS A 45 -2.605 -0.077 -2.250 1.00 0.00 O ATOM 631 CB CYS A 45 0.522 -0.430 -3.023 1.00 0.00 C ATOM 632 SG CYS A 45 1.888 -1.598 -3.319 1.00 0.00 S ATOM 0 H CYS A 45 0.189 -0.566 -5.466 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.078 -1.845 -3.273 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.800 0.546 -3.420 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.387 -0.310 -1.948 1.00 0.00 H new ATOM 0 HG CYS A 45 3.018 -0.955 -3.311 1.00 0.00 H new ATOM 637 N LYS A 46 -2.056 1.189 -4.026 1.00 0.00 N ATOM 638 CA LYS A 46 -3.070 2.202 -3.756 1.00 0.00 C ATOM 639 C LYS A 46 -4.458 1.575 -3.676 1.00 0.00 C ATOM 640 O LYS A 46 -5.092 1.581 -2.622 1.00 0.00 O ATOM 641 CB LYS A 46 -3.046 3.279 -4.843 1.00 0.00 C ATOM 642 CG LYS A 46 -4.242 4.214 -4.799 1.00 0.00 C ATOM 643 CD LYS A 46 -3.920 5.562 -5.423 1.00 0.00 C ATOM 644 CE LYS A 46 -4.921 5.926 -6.509 1.00 0.00 C ATOM 645 NZ LYS A 46 -4.433 7.046 -7.360 1.00 0.00 N ATOM 0 H LYS A 46 -1.486 1.373 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.843 2.661 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.133 3.866 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.008 2.797 -5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.080 3.759 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.556 4.356 -3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.923 6.332 -4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.916 5.538 -5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.114 5.053 -7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.869 6.205 -6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.143 7.264 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.273 7.887 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.541 6.771 -7.818 1.00 0.00 H new ATOM 659 N ALA A 47 -4.923 1.034 -4.798 1.00 0.00 N ATOM 660 CA ALA A 47 -6.234 0.400 -4.853 1.00 0.00 C ATOM 661 C ALA A 47 -6.307 -0.795 -3.908 1.00 0.00 C ATOM 662 O ALA A 47 -7.371 -1.122 -3.383 1.00 0.00 O ATOM 663 CB ALA A 47 -6.553 -0.030 -6.277 1.00 0.00 C ATOM 0 H ALA A 47 -4.411 1.022 -5.680 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.977 1.130 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.535 -0.502 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.553 0.843 -6.929 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.800 -0.740 -6.620 1.00 0.00 H new ATOM 669 N LYS A 48 -5.167 -1.445 -3.697 1.00 0.00 N ATOM 670 CA LYS A 48 -5.100 -2.605 -2.815 1.00 0.00 C ATOM 671 C LYS A 48 -5.510 -2.232 -1.394 1.00 0.00 C ATOM 672 O LYS A 48 -6.029 -3.064 -0.648 1.00 0.00 O ATOM 673 CB LYS A 48 -3.685 -3.188 -2.812 1.00 0.00 C ATOM 674 CG LYS A 48 -3.523 -4.394 -3.721 1.00 0.00 C ATOM 675 CD LYS A 48 -2.370 -5.277 -3.275 1.00 0.00 C ATOM 676 CE LYS A 48 -2.688 -5.993 -1.972 1.00 0.00 C ATOM 677 NZ LYS A 48 -2.120 -7.370 -1.942 1.00 0.00 N ATOM 0 H LYS A 48 -4.277 -1.188 -4.125 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.795 -3.356 -3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.982 -2.414 -3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.420 -3.473 -1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.446 -4.974 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.352 -4.059 -4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.151 -6.011 -4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.473 -4.670 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.291 -5.418 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.769 -6.043 -1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.359 -7.824 -1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.518 -7.927 -2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.086 -7.321 -2.043 1.00 0.00 H new ATOM 691 N HIS A 49 -5.276 -0.977 -1.025 1.00 0.00 N ATOM 692 CA HIS A 49 -5.623 -0.494 0.307 1.00 0.00 C ATOM 693 C HIS A 49 -7.004 0.155 0.306 1.00 0.00 C ATOM 694 O HIS A 49 -7.772 0.005 1.257 1.00 0.00 O ATOM 695 CB HIS A 49 -4.577 0.507 0.799 1.00 0.00 C ATOM 696 CG HIS A 49 -4.992 1.251 2.030 1.00 0.00 C ATOM 697 ND1 HIS A 49 -4.939 0.702 3.294 1.00 0.00 N ATOM 698 CD2 HIS A 49 -5.466 2.509 2.187 1.00 0.00 C ATOM 699 CE1 HIS A 49 -5.366 1.590 4.175 1.00 0.00 C ATOM 700 NE2 HIS A 49 -5.691 2.695 3.529 1.00 0.00 N ATOM 0 H HIS A 49 -4.848 -0.276 -1.629 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.642 -1.349 0.983 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.646 -0.023 1.001 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.370 1.223 0.004 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.620 -0.241 3.514 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.636 3.232 1.403 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.437 1.438 5.242 1.00 0.00 H new ATOM 708 N LEU A 50 -7.312 0.878 -0.765 1.00 0.00 N ATOM 709 CA LEU A 50 -8.601 1.551 -0.889 1.00 0.00 C ATOM 710 C LEU A 50 -9.746 0.544 -0.857 1.00 0.00 C ATOM 711 O LEU A 50 -10.665 0.658 -0.045 1.00 0.00 O ATOM 712 CB LEU A 50 -8.653 2.359 -2.187 1.00 0.00 C ATOM 713 CG LEU A 50 -7.703 3.554 -2.271 1.00 0.00 C ATOM 714 CD1 LEU A 50 -7.934 4.329 -3.560 1.00 0.00 C ATOM 715 CD2 LEU A 50 -7.879 4.462 -1.063 1.00 0.00 C ATOM 0 H LEU A 50 -6.687 1.013 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.713 2.228 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.436 1.688 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.672 2.720 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.679 3.180 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.249 5.176 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.757 3.675 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.962 4.691 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.195 5.307 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.905 4.828 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.663 3.902 -0.153 1.00 0.00 H new ATOM 727 N LEU A 51 -9.685 -0.443 -1.745 1.00 0.00 N ATOM 728 CA LEU A 51 -10.716 -1.472 -1.817 1.00 0.00 C ATOM 729 C LEU A 51 -10.759 -2.291 -0.531 1.00 0.00 C ATOM 730 O LEU A 51 -11.726 -3.006 -0.272 1.00 0.00 O ATOM 731 CB LEU A 51 -10.463 -2.392 -3.013 1.00 0.00 C ATOM 732 CG LEU A 51 -9.837 -3.750 -2.694 1.00 0.00 C ATOM 733 CD1 LEU A 51 -9.800 -4.625 -3.938 1.00 0.00 C ATOM 734 CD2 LEU A 51 -8.438 -3.571 -2.124 1.00 0.00 C ATOM 0 H LEU A 51 -8.932 -0.552 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.679 -0.978 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.412 -2.562 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.813 -1.871 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.453 -4.246 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.351 -5.588 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.815 -4.780 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.207 -4.135 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.008 -4.548 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.812 -3.055 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.491 -2.982 -1.208 1.00 0.00 H new ATOM 746 N GLN A 52 -9.705 -2.179 0.271 1.00 0.00 N ATOM 747 CA GLN A 52 -9.624 -2.909 1.531 1.00 0.00 C ATOM 748 C GLN A 52 -10.220 -2.092 2.672 1.00 0.00 C ATOM 749 O GLN A 52 -10.723 -2.647 3.650 1.00 0.00 O ATOM 750 CB GLN A 52 -8.169 -3.262 1.847 1.00 0.00 C ATOM 751 CG GLN A 52 -7.749 -4.629 1.331 1.00 0.00 C ATOM 752 CD GLN A 52 -7.777 -5.694 2.410 1.00 0.00 C ATOM 753 OE1 GLN A 52 -8.731 -6.465 2.513 1.00 0.00 O ATOM 754 NE2 GLN A 52 -6.727 -5.742 3.222 1.00 0.00 N ATOM 0 H GLN A 52 -8.896 -1.591 0.071 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.200 -3.829 1.427 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.517 -2.503 1.414 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.022 -3.229 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.410 -4.925 0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.743 -4.563 0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.958 -5.083 3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.690 -6.438 3.967 1.00 0.00 H new ATOM 763 N VAL A 53 -10.162 -0.771 2.542 1.00 0.00 N ATOM 764 CA VAL A 53 -10.697 0.123 3.562 1.00 0.00 C ATOM 765 C VAL A 53 -12.220 0.162 3.514 1.00 0.00 C ATOM 766 O VAL A 53 -12.876 0.470 4.509 1.00 0.00 O ATOM 767 CB VAL A 53 -10.152 1.554 3.397 1.00 0.00 C ATOM 768 CG1 VAL A 53 -10.791 2.489 4.412 1.00 0.00 C ATOM 769 CG2 VAL A 53 -8.636 1.565 3.530 1.00 0.00 C ATOM 0 H VAL A 53 -9.749 -0.295 1.739 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.377 -0.270 4.527 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.409 1.909 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.394 3.495 4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.871 2.503 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.567 2.140 5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.268 2.584 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.354 1.190 4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.199 0.929 2.761 1.00 0.00 H new