USER MOD reduce.3.24.130724 H: found=0, std=0, add=341, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 333 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 338 CYS SG : rot -130:sc= 0.125 USER MOD Set 1.2: A 341 CYS SG : rot 145:sc= 0.259 USER MOD Set 1.3: A 365 CYS SG : rot -39:sc= 0.209 USER MOD Set 1.4: A 368 CYS SG : rot 147:sc= -0.364 USER MOD Set 2.1: A 323 CYS SG : rot -163:sc= -1.09 USER MOD Set 2.2: A 326 CYS SG : rot -59:sc= 0.292 USER MOD Set 2.3: A 346 HIS : no HD1:sc= -1.92 K(o=-4.7,f=-6.4!) USER MOD Set 2.4: A 348 TYR OH : rot -160:sc= 0.262 USER MOD Set 2.5: A 349 CYS SG : rot 35:sc= -2.27! USER MOD Single : A 324 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 334 LYS NZ :NH3+ 178:sc= 0.397 (180deg=0.379) USER MOD Single : A 335 GLN :FLIP amide:sc= -0.939 F(o=-2.6!,f=-0.94) USER MOD Single : A 343 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 351 LYS NZ :NH3+ 168:sc= -0.0231 (180deg=-0.194) USER MOD Single : A 355 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 SER OG : rot 180:sc= 0 USER MOD Single : A 364 TYR OH : rot -1:sc= 0.618 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N ALA A 322 6.362 18.898 9.174 1.00 0.00 N ATOM 286 CA ALA A 322 5.582 19.891 8.410 1.00 0.00 C ATOM 287 C ALA A 322 5.495 21.235 9.153 1.00 0.00 C ATOM 288 O ALA A 322 5.978 21.372 10.283 1.00 0.00 O ATOM 289 CB ALA A 322 4.167 19.328 8.131 1.00 0.00 C ATOM 0 HA ALA A 322 6.091 20.078 7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 322 3.589 20.060 7.567 1.00 0.00 H new ATOM 0 HB2 ALA A 322 4.249 18.407 7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 322 3.665 19.120 9.076 1.00 0.00 H new ATOM 295 N CYS A 323 4.861 22.220 8.488 1.00 0.00 N ATOM 296 CA CYS A 323 4.503 23.516 9.093 1.00 0.00 C ATOM 297 C CYS A 323 3.230 23.333 9.917 1.00 0.00 C ATOM 298 O CYS A 323 2.160 23.119 9.350 1.00 0.00 O ATOM 299 CB CYS A 323 4.327 24.604 8.000 1.00 0.00 C ATOM 300 SG CYS A 323 3.221 26.001 8.421 1.00 0.00 S ATOM 0 H CYS A 323 4.582 22.138 7.510 1.00 0.00 H new ATOM 0 HA CYS A 323 5.305 23.855 9.748 1.00 0.00 H new ATOM 0 HB2 CYS A 323 5.310 25.007 7.756 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.946 24.125 7.098 1.00 0.00 H new ATOM 0 HG CYS A 323 2.881 26.628 7.334 1.00 0.00 H new ATOM 305 N HIS A 324 3.368 23.453 11.255 1.00 0.00 N ATOM 306 CA HIS A 324 2.339 23.061 12.241 1.00 0.00 C ATOM 307 C HIS A 324 1.044 23.892 12.094 1.00 0.00 C ATOM 308 O HIS A 324 -0.044 23.441 12.454 1.00 0.00 O ATOM 309 CB HIS A 324 2.936 23.216 13.672 1.00 0.00 C ATOM 310 CG HIS A 324 2.069 22.687 14.796 1.00 0.00 C ATOM 311 ND1 HIS A 324 2.121 21.388 15.254 1.00 0.00 N ATOM 312 CD2 HIS A 324 1.106 23.303 15.547 1.00 0.00 C ATOM 313 CE1 HIS A 324 1.226 21.256 16.238 1.00 0.00 C ATOM 314 NE2 HIS A 324 0.583 22.387 16.452 1.00 0.00 N ATOM 0 H HIS A 324 4.211 23.831 11.687 1.00 0.00 H new ATOM 0 HA HIS A 324 2.061 22.022 12.061 1.00 0.00 H new ATOM 0 HB2 HIS A 324 3.897 22.703 13.704 1.00 0.00 H new ATOM 0 HB3 HIS A 324 3.133 24.273 13.853 1.00 0.00 H new ATOM 0 HD2 HIS A 324 0.801 24.335 15.452 1.00 0.00 H new ATOM 0 HE1 HIS A 324 1.052 20.342 16.786 1.00 0.00 H new ATOM 0 HE2 HIS A 324 -0.149 22.555 17.142 1.00 0.00 H new ATOM 322 N VAL A 325 1.190 25.101 11.533 1.00 0.00 N ATOM 323 CA VAL A 325 0.103 26.090 11.430 1.00 0.00 C ATOM 324 C VAL A 325 -1.003 25.621 10.444 1.00 0.00 C ATOM 325 O VAL A 325 -2.182 25.913 10.638 1.00 0.00 O ATOM 326 CB VAL A 325 0.669 27.503 11.002 1.00 0.00 C ATOM 327 CG1 VAL A 325 -0.379 28.634 11.180 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.974 27.840 11.767 1.00 0.00 C ATOM 0 H VAL A 325 2.072 25.424 11.135 1.00 0.00 H new ATOM 0 HA VAL A 325 -0.351 26.184 12.417 1.00 0.00 H new ATOM 0 HB VAL A 325 0.900 27.440 9.939 1.00 0.00 H new ATOM 0 HG11 VAL A 325 0.056 29.585 10.873 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -1.253 28.420 10.565 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -0.677 28.692 12.227 1.00 0.00 H new ATOM 0 HG21 VAL A 325 2.339 28.817 11.451 1.00 0.00 H new ATOM 0 HG22 VAL A 325 1.774 27.856 12.838 1.00 0.00 H new ATOM 0 HG23 VAL A 325 2.728 27.084 11.550 1.00 0.00 H new ATOM 338 N CYS A 326 -0.603 24.876 9.393 1.00 0.00 N ATOM 339 CA CYS A 326 -1.550 24.339 8.375 1.00 0.00 C ATOM 340 C CYS A 326 -1.377 22.815 8.182 1.00 0.00 C ATOM 341 O CYS A 326 -2.138 22.189 7.434 1.00 0.00 O ATOM 342 CB CYS A 326 -1.357 25.081 7.033 1.00 0.00 C ATOM 343 SG CYS A 326 0.285 24.870 6.274 1.00 0.00 S ATOM 0 H CYS A 326 0.371 24.628 9.221 1.00 0.00 H new ATOM 0 HA CYS A 326 -2.565 24.508 8.736 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.114 24.734 6.330 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -1.534 26.145 7.193 1.00 0.00 H new ATOM 0 HG CYS A 326 1.200 25.290 7.096 1.00 0.00 H new ATOM 348 N GLY A 327 -0.400 22.230 8.904 1.00 0.00 N ATOM 349 CA GLY A 327 -0.070 20.799 8.803 1.00 0.00 C ATOM 350 C GLY A 327 0.432 20.365 7.426 1.00 0.00 C ATOM 351 O GLY A 327 0.131 19.255 6.979 1.00 0.00 O ATOM 0 H GLY A 327 0.180 22.738 9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 327 0.691 20.560 9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -0.955 20.215 9.055 1.00 0.00 H new ATOM 355 N GLY A 328 1.218 21.226 6.757 1.00 0.00 N ATOM 356 CA GLY A 328 1.673 20.953 5.384 1.00 0.00 C ATOM 357 C GLY A 328 3.026 21.567 5.064 1.00 0.00 C ATOM 358 O GLY A 328 3.438 22.544 5.697 1.00 0.00 O ATOM 0 H GLY A 328 1.549 22.111 7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 328 1.727 19.875 5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.933 21.336 4.681 1.00 0.00 H new ATOM 362 N ARG A 329 3.726 20.973 4.076 1.00 0.00 N ATOM 363 CA ARG A 329 5.011 21.484 3.544 1.00 0.00 C ATOM 364 C ARG A 329 4.806 22.125 2.159 1.00 0.00 C ATOM 365 O ARG A 329 5.783 22.380 1.439 1.00 0.00 O ATOM 366 CB ARG A 329 6.059 20.337 3.448 1.00 0.00 C ATOM 367 CG ARG A 329 6.393 19.647 4.789 1.00 0.00 C ATOM 368 CD ARG A 329 7.486 18.570 4.650 1.00 0.00 C ATOM 369 NE ARG A 329 8.794 19.135 4.272 1.00 0.00 N ATOM 370 CZ ARG A 329 9.858 18.424 3.866 1.00 0.00 C ATOM 371 NH1 ARG A 329 9.794 17.110 3.711 1.00 0.00 N ATOM 372 NH2 ARG A 329 10.984 19.040 3.606 1.00 0.00 N ATOM 0 H ARG A 329 3.414 20.116 3.619 1.00 0.00 H new ATOM 0 HA ARG A 329 5.384 22.243 4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 329 5.690 19.585 2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 329 6.979 20.740 3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 329 6.719 20.399 5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 329 5.489 19.191 5.193 1.00 0.00 H new ATOM 0 HD2 ARG A 329 7.585 18.034 5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 329 7.179 17.841 3.900 1.00 0.00 H new ATOM 0 HE ARG A 329 8.899 20.148 4.323 1.00 0.00 H new ATOM 0 HH11 ARG A 329 8.922 16.616 3.901 1.00 0.00 H new ATOM 0 HH12 ARG A 329 10.617 16.592 3.401 1.00 0.00 H new ATOM 0 HH21 ARG A 329 11.048 20.052 3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 329 11.797 18.507 3.297 1.00 0.00 H new ATOM 386 N GLU A 330 3.535 22.393 1.808 1.00 0.00 N ATOM 387 CA GLU A 330 3.152 22.936 0.489 1.00 0.00 C ATOM 388 C GLU A 330 3.735 24.350 0.333 1.00 0.00 C ATOM 389 O GLU A 330 3.537 25.176 1.217 1.00 0.00 O ATOM 390 CB GLU A 330 1.608 22.956 0.353 1.00 0.00 C ATOM 391 CG GLU A 330 0.941 21.607 0.700 1.00 0.00 C ATOM 392 CD GLU A 330 -0.593 21.647 0.630 1.00 0.00 C ATOM 393 OE1 GLU A 330 -1.178 21.128 -0.342 1.00 0.00 O ATOM 394 OE2 GLU A 330 -1.216 22.219 1.553 1.00 0.00 O ATOM 0 H GLU A 330 2.742 22.239 2.431 1.00 0.00 H new ATOM 0 HA GLU A 330 3.553 22.302 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 330 1.204 23.730 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 330 1.345 23.230 -0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 330 1.308 20.842 0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 330 1.244 21.308 1.704 1.00 0.00 H new ATOM 401 N ALA A 331 4.445 24.588 -0.787 1.00 0.00 N ATOM 402 CA ALA A 331 5.318 25.764 -0.998 1.00 0.00 C ATOM 403 C ALA A 331 6.581 25.646 -0.103 1.00 0.00 C ATOM 404 O ALA A 331 6.603 26.165 1.025 1.00 0.00 O ATOM 405 CB ALA A 331 4.593 27.111 -0.796 1.00 0.00 C ATOM 0 H ALA A 331 4.429 23.956 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 331 5.621 25.761 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 331 5.292 27.930 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 331 3.765 27.188 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 331 4.209 27.168 0.222 1.00 0.00 H new ATOM 411 N PRO A 332 7.643 24.913 -0.590 1.00 0.00 N ATOM 412 CA PRO A 332 8.861 24.624 0.203 1.00 0.00 C ATOM 413 C PRO A 332 9.767 25.858 0.407 1.00 0.00 C ATOM 414 O PRO A 332 10.402 26.003 1.457 1.00 0.00 O ATOM 415 CB PRO A 332 9.570 23.528 -0.632 1.00 0.00 C ATOM 416 CG PRO A 332 9.159 23.822 -2.041 1.00 0.00 C ATOM 417 CD PRO A 332 7.725 24.300 -1.952 1.00 0.00 C ATOM 0 HA PRO A 332 8.621 24.314 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 332 10.653 23.575 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 332 9.259 22.529 -0.326 1.00 0.00 H new ATOM 0 HG2 PRO A 332 9.800 24.583 -2.486 1.00 0.00 H new ATOM 0 HG3 PRO A 332 9.238 22.933 -2.667 1.00 0.00 H new ATOM 0 HD2 PRO A 332 7.495 25.025 -2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 332 7.020 23.476 -2.064 1.00 0.00 H new ATOM 425 N GLU A 333 9.804 26.743 -0.605 1.00 0.00 N ATOM 426 CA GLU A 333 10.657 27.951 -0.596 1.00 0.00 C ATOM 427 C GLU A 333 10.079 29.027 0.330 1.00 0.00 C ATOM 428 O GLU A 333 10.810 29.906 0.800 1.00 0.00 O ATOM 429 CB GLU A 333 10.869 28.527 -2.033 1.00 0.00 C ATOM 430 CG GLU A 333 9.608 29.082 -2.744 1.00 0.00 C ATOM 431 CD GLU A 333 8.630 27.992 -3.197 1.00 0.00 C ATOM 432 OE1 GLU A 333 7.627 27.747 -2.500 1.00 0.00 O ATOM 433 OE2 GLU A 333 8.889 27.347 -4.232 1.00 0.00 O ATOM 0 H GLU A 333 9.245 26.644 -1.452 1.00 0.00 H new ATOM 0 HA GLU A 333 11.632 27.649 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 333 11.609 29.326 -1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 333 11.296 27.742 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 333 9.091 29.765 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 333 9.917 29.665 -3.612 1.00 0.00 H new ATOM 440 N LYS A 334 8.759 28.949 0.592 1.00 0.00 N ATOM 441 CA LYS A 334 8.047 29.943 1.414 1.00 0.00 C ATOM 442 C LYS A 334 7.964 29.513 2.893 1.00 0.00 C ATOM 443 O LYS A 334 7.217 30.114 3.666 1.00 0.00 O ATOM 444 CB LYS A 334 6.624 30.197 0.835 1.00 0.00 C ATOM 445 CG LYS A 334 6.601 30.485 -0.687 1.00 0.00 C ATOM 446 CD LYS A 334 5.252 31.060 -1.186 1.00 0.00 C ATOM 447 CE LYS A 334 5.051 32.527 -0.755 1.00 0.00 C ATOM 448 NZ LYS A 334 6.059 33.426 -1.374 1.00 0.00 N ATOM 0 H LYS A 334 8.162 28.200 0.242 1.00 0.00 H new ATOM 0 HA LYS A 334 8.616 30.872 1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 334 6.000 29.327 1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 334 6.175 31.040 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 334 7.398 31.188 -0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 334 6.816 29.563 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 334 5.210 30.993 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 334 4.434 30.453 -0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 334 4.050 32.855 -1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 334 5.117 32.599 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 5.871 34.408 -1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 7.011 33.150 -1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 6.002 33.351 -2.410 1.00 0.00 H new ATOM 462 N GLN A 335 8.733 28.472 3.289 1.00 0.00 N ATOM 463 CA GLN A 335 8.751 27.982 4.684 1.00 0.00 C ATOM 464 C GLN A 335 9.766 28.759 5.536 1.00 0.00 C ATOM 465 O GLN A 335 10.825 29.180 5.052 1.00 0.00 O ATOM 466 CB GLN A 335 9.055 26.458 4.753 1.00 0.00 C ATOM 467 CG GLN A 335 8.049 25.574 3.995 1.00 0.00 C ATOM 468 CD GLN A 335 8.203 24.082 4.266 1.00 0.00 C ATOM 469 OE1 GLN A 335 7.921 23.263 3.268 1.00 0.00 O flip ATOM 470 NE2 GLN A 335 8.585 23.670 5.361 1.00 0.00 N flip ATOM 0 H GLN A 335 9.349 27.956 2.660 1.00 0.00 H new ATOM 0 HA GLN A 335 7.754 28.150 5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 335 10.052 26.280 4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 335 9.074 26.151 5.799 1.00 0.00 H new ATOM 0 HG2 GLN A 335 7.038 25.879 4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 335 8.160 25.751 2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 335 8.794 24.330 6.110 1.00 0.00 H new ATOM 0 HE22 GLN A 335 8.693 22.668 5.520 1.00 0.00 H new ATOM 479 N LEU A 336 9.397 28.950 6.806 1.00 0.00 N ATOM 480 CA LEU A 336 10.262 29.507 7.867 1.00 0.00 C ATOM 481 C LEU A 336 10.237 28.539 9.047 1.00 0.00 C ATOM 482 O LEU A 336 9.332 27.722 9.148 1.00 0.00 O ATOM 483 CB LEU A 336 9.762 30.920 8.289 1.00 0.00 C ATOM 484 CG LEU A 336 9.902 32.046 7.211 1.00 0.00 C ATOM 485 CD1 LEU A 336 9.167 33.329 7.645 1.00 0.00 C ATOM 486 CD2 LEU A 336 11.394 32.348 6.901 1.00 0.00 C ATOM 0 H LEU A 336 8.462 28.717 7.141 1.00 0.00 H new ATOM 0 HA LEU A 336 11.284 29.622 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 336 8.712 30.843 8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 336 10.310 31.227 9.180 1.00 0.00 H new ATOM 0 HG LEU A 336 9.435 31.681 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 336 9.283 34.092 6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 336 8.108 33.112 7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 336 9.590 33.691 8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 336 11.457 33.134 6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 336 11.896 32.676 7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 336 11.877 31.446 6.525 1.00 0.00 H new ATOM 498 N LEU A 337 11.233 28.609 9.926 1.00 0.00 N ATOM 499 CA LEU A 337 11.322 27.685 11.071 1.00 0.00 C ATOM 500 C LEU A 337 11.845 28.452 12.293 1.00 0.00 C ATOM 501 O LEU A 337 12.903 29.092 12.228 1.00 0.00 O ATOM 502 CB LEU A 337 12.223 26.460 10.694 1.00 0.00 C ATOM 503 CG LEU A 337 11.900 25.090 11.391 1.00 0.00 C ATOM 504 CD1 LEU A 337 12.696 23.941 10.732 1.00 0.00 C ATOM 505 CD2 LEU A 337 12.154 25.135 12.920 1.00 0.00 C ATOM 0 H LEU A 337 11.991 29.290 9.875 1.00 0.00 H new ATOM 0 HA LEU A 337 10.339 27.289 11.325 1.00 0.00 H new ATOM 0 HB2 LEU A 337 12.160 26.314 9.616 1.00 0.00 H new ATOM 0 HB3 LEU A 337 13.257 26.719 10.921 1.00 0.00 H new ATOM 0 HG LEU A 337 10.836 24.900 11.252 1.00 0.00 H new ATOM 0 HD11 LEU A 337 12.458 23.001 11.230 1.00 0.00 H new ATOM 0 HD12 LEU A 337 12.429 23.871 9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 337 13.764 24.139 10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 337 11.916 24.165 13.357 1.00 0.00 H new ATOM 0 HD22 LEU A 337 13.201 25.371 13.108 1.00 0.00 H new ATOM 0 HD23 LEU A 337 11.523 25.901 13.371 1.00 0.00 H new ATOM 517 N CYS A 338 11.080 28.416 13.395 1.00 0.00 N ATOM 518 CA CYS A 338 11.498 29.017 14.667 1.00 0.00 C ATOM 519 C CYS A 338 12.361 28.005 15.425 1.00 0.00 C ATOM 520 O CYS A 338 11.821 27.027 15.938 1.00 0.00 O ATOM 521 CB CYS A 338 10.269 29.425 15.519 1.00 0.00 C ATOM 522 SG CYS A 338 10.701 30.383 17.014 1.00 0.00 S ATOM 0 H CYS A 338 10.162 27.973 13.428 1.00 0.00 H new ATOM 0 HA CYS A 338 12.073 29.921 14.468 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.590 30.015 14.903 1.00 0.00 H new ATOM 0 HB3 CYS A 338 9.729 28.526 15.817 1.00 0.00 H new ATOM 0 HG CYS A 338 10.115 29.859 18.050 1.00 0.00 H new ATOM 527 N ASP A 339 13.692 28.225 15.460 1.00 0.00 N ATOM 528 CA ASP A 339 14.661 27.343 16.164 1.00 0.00 C ATOM 529 C ASP A 339 14.308 27.196 17.655 1.00 0.00 C ATOM 530 O ASP A 339 14.478 26.128 18.244 1.00 0.00 O ATOM 531 CB ASP A 339 16.092 27.923 16.036 1.00 0.00 C ATOM 532 CG ASP A 339 16.590 27.963 14.584 1.00 0.00 C ATOM 533 OD1 ASP A 339 17.314 27.042 14.157 1.00 0.00 O ATOM 534 OD2 ASP A 339 16.235 28.911 13.862 1.00 0.00 O ATOM 0 H ASP A 339 14.132 29.022 15.000 1.00 0.00 H new ATOM 0 HA ASP A 339 14.613 26.359 15.698 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.109 28.932 16.449 1.00 0.00 H new ATOM 0 HB3 ASP A 339 16.777 27.322 16.634 1.00 0.00 H new ATOM 539 N GLU A 340 13.811 28.303 18.227 1.00 0.00 N ATOM 540 CA GLU A 340 13.439 28.415 19.650 1.00 0.00 C ATOM 541 C GLU A 340 12.244 27.496 20.027 1.00 0.00 C ATOM 542 O GLU A 340 12.079 27.114 21.188 1.00 0.00 O ATOM 543 CB GLU A 340 13.131 29.907 19.946 1.00 0.00 C ATOM 544 CG GLU A 340 12.936 30.265 21.435 1.00 0.00 C ATOM 545 CD GLU A 340 12.848 31.778 21.732 1.00 0.00 C ATOM 546 OE1 GLU A 340 12.603 32.136 22.903 1.00 0.00 O ATOM 547 OE2 GLU A 340 13.020 32.603 20.810 1.00 0.00 O ATOM 0 H GLU A 340 13.652 29.165 17.704 1.00 0.00 H new ATOM 0 HA GLU A 340 14.270 28.073 20.267 1.00 0.00 H new ATOM 0 HB2 GLU A 340 13.945 30.513 19.549 1.00 0.00 H new ATOM 0 HB3 GLU A 340 12.229 30.188 19.402 1.00 0.00 H new ATOM 0 HG2 GLU A 340 12.025 29.785 21.793 1.00 0.00 H new ATOM 0 HG3 GLU A 340 13.763 29.845 22.006 1.00 0.00 H new ATOM 554 N CYS A 341 11.422 27.136 19.034 1.00 0.00 N ATOM 555 CA CYS A 341 10.222 26.294 19.243 1.00 0.00 C ATOM 556 C CYS A 341 10.319 24.958 18.483 1.00 0.00 C ATOM 557 O CYS A 341 9.522 24.049 18.731 1.00 0.00 O ATOM 558 CB CYS A 341 8.965 27.055 18.776 1.00 0.00 C ATOM 559 SG CYS A 341 8.593 28.565 19.716 1.00 0.00 S ATOM 0 H CYS A 341 11.563 27.415 18.063 1.00 0.00 H new ATOM 0 HA CYS A 341 10.156 26.073 20.308 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.087 27.319 17.726 1.00 0.00 H new ATOM 0 HB3 CYS A 341 8.108 26.385 18.839 1.00 0.00 H new ATOM 0 HG CYS A 341 8.087 29.459 18.919 1.00 0.00 H new ATOM 564 N ASP A 342 11.287 24.874 17.538 1.00 0.00 N ATOM 565 CA ASP A 342 11.441 23.743 16.587 1.00 0.00 C ATOM 566 C ASP A 342 10.192 23.544 15.691 1.00 0.00 C ATOM 567 O ASP A 342 10.034 22.499 15.052 1.00 0.00 O ATOM 568 CB ASP A 342 11.819 22.430 17.338 1.00 0.00 C ATOM 569 CG ASP A 342 13.179 22.523 18.064 1.00 0.00 C ATOM 570 OD1 ASP A 342 13.198 22.864 19.268 1.00 0.00 O ATOM 571 OD2 ASP A 342 14.229 22.264 17.427 1.00 0.00 O ATOM 0 H ASP A 342 11.993 25.599 17.412 1.00 0.00 H new ATOM 0 HA ASP A 342 12.262 24.001 15.918 1.00 0.00 H new ATOM 0 HB2 ASP A 342 11.041 22.196 18.064 1.00 0.00 H new ATOM 0 HB3 ASP A 342 11.849 21.606 16.626 1.00 0.00 H new ATOM 576 N MET A 343 9.343 24.584 15.606 1.00 0.00 N ATOM 577 CA MET A 343 8.095 24.552 14.818 1.00 0.00 C ATOM 578 C MET A 343 8.274 25.306 13.506 1.00 0.00 C ATOM 579 O MET A 343 8.819 26.423 13.480 1.00 0.00 O ATOM 580 CB MET A 343 6.913 25.141 15.635 1.00 0.00 C ATOM 581 CG MET A 343 6.426 24.211 16.750 1.00 0.00 C ATOM 582 SD MET A 343 5.877 22.612 16.104 1.00 0.00 S ATOM 583 CE MET A 343 5.677 21.649 17.604 1.00 0.00 C ATOM 0 H MET A 343 9.502 25.472 16.082 1.00 0.00 H new ATOM 0 HA MET A 343 7.861 23.513 14.587 1.00 0.00 H new ATOM 0 HB2 MET A 343 7.220 26.091 16.072 1.00 0.00 H new ATOM 0 HB3 MET A 343 6.084 25.353 14.960 1.00 0.00 H new ATOM 0 HG2 MET A 343 7.230 24.055 17.470 1.00 0.00 H new ATOM 0 HG3 MET A 343 5.605 24.687 17.287 1.00 0.00 H new ATOM 0 HE1 MET A 343 5.342 20.644 17.349 1.00 0.00 H new ATOM 0 HE2 MET A 343 6.630 21.592 18.129 1.00 0.00 H new ATOM 0 HE3 MET A 343 4.937 22.126 18.246 1.00 0.00 H new ATOM 593 N ALA A 344 7.796 24.677 12.423 1.00 0.00 N ATOM 594 CA ALA A 344 7.894 25.208 11.056 1.00 0.00 C ATOM 595 C ALA A 344 6.635 26.014 10.693 1.00 0.00 C ATOM 596 O ALA A 344 5.550 25.809 11.257 1.00 0.00 O ATOM 597 CB ALA A 344 8.161 24.073 10.051 1.00 0.00 C ATOM 0 H ALA A 344 7.325 23.774 12.472 1.00 0.00 H new ATOM 0 HA ALA A 344 8.741 25.892 11.007 1.00 0.00 H new ATOM 0 HB1 ALA A 344 8.230 24.487 9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 344 9.097 23.576 10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.345 23.352 10.091 1.00 0.00 H new ATOM 603 N PHE A 345 6.801 26.908 9.717 1.00 0.00 N ATOM 604 CA PHE A 345 5.820 27.939 9.323 1.00 0.00 C ATOM 605 C PHE A 345 5.830 28.116 7.800 1.00 0.00 C ATOM 606 O PHE A 345 6.522 27.407 7.072 1.00 0.00 O ATOM 607 CB PHE A 345 6.131 29.326 9.991 1.00 0.00 C ATOM 608 CG PHE A 345 5.827 29.414 11.480 1.00 0.00 C ATOM 609 CD1 PHE A 345 6.683 28.859 12.421 1.00 0.00 C ATOM 610 CD2 PHE A 345 4.668 30.045 11.937 1.00 0.00 C ATOM 611 CE1 PHE A 345 6.397 28.927 13.758 1.00 0.00 C ATOM 612 CE2 PHE A 345 4.384 30.116 13.285 1.00 0.00 C ATOM 613 CZ PHE A 345 5.243 29.550 14.195 1.00 0.00 C ATOM 0 H PHE A 345 7.651 26.941 9.154 1.00 0.00 H new ATOM 0 HA PHE A 345 4.841 27.601 9.662 1.00 0.00 H new ATOM 0 HB2 PHE A 345 7.185 29.556 9.838 1.00 0.00 H new ATOM 0 HB3 PHE A 345 5.559 30.096 9.474 1.00 0.00 H new ATOM 0 HD1 PHE A 345 7.587 28.367 12.094 1.00 0.00 H new ATOM 0 HD2 PHE A 345 3.984 30.484 11.225 1.00 0.00 H new ATOM 0 HE1 PHE A 345 7.077 28.491 14.475 1.00 0.00 H new ATOM 0 HE2 PHE A 345 3.488 30.615 13.624 1.00 0.00 H new ATOM 0 HZ PHE A 345 5.017 29.592 15.250 1.00 0.00 H new ATOM 623 N HIS A 346 5.010 29.064 7.349 1.00 0.00 N ATOM 624 CA HIS A 346 5.026 29.605 5.983 1.00 0.00 C ATOM 625 C HIS A 346 4.940 31.127 6.085 1.00 0.00 C ATOM 626 O HIS A 346 4.515 31.648 7.123 1.00 0.00 O ATOM 627 CB HIS A 346 3.846 29.061 5.130 1.00 0.00 C ATOM 628 CG HIS A 346 4.015 27.659 4.628 1.00 0.00 C ATOM 629 ND1 HIS A 346 3.161 26.635 4.981 1.00 0.00 N ATOM 630 CD2 HIS A 346 4.957 27.181 3.794 1.00 0.00 C ATOM 631 CE1 HIS A 346 3.611 25.576 4.333 1.00 0.00 C ATOM 632 NE2 HIS A 346 4.693 25.856 3.600 1.00 0.00 N ATOM 0 H HIS A 346 4.295 29.492 7.937 1.00 0.00 H new ATOM 0 HA HIS A 346 5.945 29.296 5.485 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.935 29.109 5.727 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.702 29.721 4.275 1.00 0.00 H new ATOM 0 HD2 HIS A 346 5.771 27.742 3.359 1.00 0.00 H new ATOM 0 HE1 HIS A 346 3.157 24.597 4.389 1.00 0.00 H new ATOM 0 HE2 HIS A 346 5.217 25.208 3.012 1.00 0.00 H new ATOM 640 N LEU A 347 5.313 31.821 5.004 1.00 0.00 N ATOM 641 CA LEU A 347 5.200 33.282 4.900 1.00 0.00 C ATOM 642 C LEU A 347 3.727 33.719 5.036 1.00 0.00 C ATOM 643 O LEU A 347 3.415 34.650 5.774 1.00 0.00 O ATOM 644 CB LEU A 347 5.790 33.751 3.548 1.00 0.00 C ATOM 645 CG LEU A 347 7.322 33.497 3.346 1.00 0.00 C ATOM 646 CD1 LEU A 347 7.762 33.807 1.903 1.00 0.00 C ATOM 647 CD2 LEU A 347 8.158 34.304 4.358 1.00 0.00 C ATOM 0 H LEU A 347 5.705 31.383 4.170 1.00 0.00 H new ATOM 0 HA LEU A 347 5.763 33.745 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 347 5.249 33.251 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.601 34.819 3.442 1.00 0.00 H new ATOM 0 HG LEU A 347 7.501 32.437 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 347 8.831 33.619 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 347 7.213 33.169 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 347 7.554 34.853 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 347 9.217 34.107 4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 347 7.962 35.368 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.887 34.008 5.372 1.00 0.00 H new ATOM 659 N TYR A 348 2.831 32.988 4.344 1.00 0.00 N ATOM 660 CA TYR A 348 1.375 33.237 4.394 1.00 0.00 C ATOM 661 C TYR A 348 0.748 32.727 5.711 1.00 0.00 C ATOM 662 O TYR A 348 -0.378 33.091 6.032 1.00 0.00 O ATOM 663 CB TYR A 348 0.669 32.625 3.147 1.00 0.00 C ATOM 664 CG TYR A 348 0.927 31.116 2.884 1.00 0.00 C ATOM 665 CD1 TYR A 348 0.123 30.123 3.462 1.00 0.00 C ATOM 666 CD2 TYR A 348 1.969 30.693 2.045 1.00 0.00 C ATOM 667 CE1 TYR A 348 0.334 28.780 3.195 1.00 0.00 C ATOM 668 CE2 TYR A 348 2.182 29.351 1.781 1.00 0.00 C ATOM 669 CZ TYR A 348 1.366 28.400 2.365 1.00 0.00 C ATOM 670 OH TYR A 348 1.573 27.065 2.100 1.00 0.00 O ATOM 0 H TYR A 348 3.094 32.211 3.737 1.00 0.00 H new ATOM 0 HA TYR A 348 1.222 34.316 4.372 1.00 0.00 H new ATOM 0 HB2 TYR A 348 -0.405 32.775 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 348 0.983 33.185 2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 348 -0.677 30.411 4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 348 2.618 31.430 1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 348 -0.309 28.033 3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 348 2.982 29.048 1.122 1.00 0.00 H new ATOM 0 HH TYR A 348 2.491 26.933 1.783 1.00 0.00 H new ATOM 680 N CYS A 349 1.498 31.898 6.478 1.00 0.00 N ATOM 681 CA CYS A 349 1.044 31.365 7.798 1.00 0.00 C ATOM 682 C CYS A 349 1.511 32.270 8.963 1.00 0.00 C ATOM 683 O CYS A 349 1.590 31.817 10.112 1.00 0.00 O ATOM 684 CB CYS A 349 1.540 29.906 8.006 1.00 0.00 C ATOM 685 SG CYS A 349 0.824 28.702 6.837 1.00 0.00 S ATOM 0 H CYS A 349 2.428 31.579 6.207 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.046 31.361 7.794 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.626 29.886 7.912 1.00 0.00 H new ATOM 0 HB3 CYS A 349 1.302 29.594 9.023 1.00 0.00 H new ATOM 0 HG CYS A 349 0.651 29.270 5.681 1.00 0.00 H new ATOM 690 N LEU A 350 1.804 33.553 8.657 1.00 0.00 N ATOM 691 CA LEU A 350 2.224 34.561 9.659 1.00 0.00 C ATOM 692 C LEU A 350 1.134 35.632 9.838 1.00 0.00 C ATOM 693 O LEU A 350 0.139 35.651 9.105 1.00 0.00 O ATOM 694 CB LEU A 350 3.561 35.237 9.237 1.00 0.00 C ATOM 695 CG LEU A 350 4.775 34.283 9.027 1.00 0.00 C ATOM 696 CD1 LEU A 350 6.050 35.082 8.676 1.00 0.00 C ATOM 697 CD2 LEU A 350 4.985 33.370 10.262 1.00 0.00 C ATOM 0 H LEU A 350 1.756 33.921 7.707 1.00 0.00 H new ATOM 0 HA LEU A 350 2.376 34.047 10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.391 35.785 8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 350 3.829 35.971 9.997 1.00 0.00 H new ATOM 0 HG LEU A 350 4.557 33.633 8.180 1.00 0.00 H new ATOM 0 HD11 LEU A 350 6.883 34.394 8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 350 5.885 35.646 7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.283 35.771 9.488 1.00 0.00 H new ATOM 0 HD21 LEU A 350 5.838 32.714 10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 350 5.173 33.985 11.142 1.00 0.00 H new ATOM 0 HD23 LEU A 350 4.092 32.767 10.425 1.00 0.00 H new ATOM 709 N LYS A 351 1.353 36.533 10.814 1.00 0.00 N ATOM 710 CA LYS A 351 0.473 37.687 11.079 1.00 0.00 C ATOM 711 C LYS A 351 1.383 38.857 11.556 1.00 0.00 C ATOM 712 O LYS A 351 1.837 38.839 12.705 1.00 0.00 O ATOM 713 CB LYS A 351 -0.625 37.302 12.139 1.00 0.00 C ATOM 714 CG LYS A 351 -1.944 38.127 12.084 1.00 0.00 C ATOM 715 CD LYS A 351 -1.780 39.629 12.430 1.00 0.00 C ATOM 716 CE LYS A 351 -3.123 40.386 12.447 1.00 0.00 C ATOM 717 NZ LYS A 351 -4.042 39.850 13.477 1.00 0.00 N ATOM 0 H LYS A 351 2.152 36.480 11.446 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.068 37.995 10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -0.873 36.248 12.010 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -0.194 37.409 13.135 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -2.369 38.042 11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -2.663 37.685 12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.302 39.723 13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -1.114 40.094 11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -2.942 41.444 12.636 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -3.594 40.314 11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -4.844 40.501 13.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -4.395 38.919 13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -3.534 39.753 14.379 1.00 0.00 H new ATOM 731 N PRO A 352 1.702 39.886 10.686 1.00 0.00 N ATOM 732 CA PRO A 352 1.241 39.985 9.267 1.00 0.00 C ATOM 733 C PRO A 352 1.966 38.975 8.324 1.00 0.00 C ATOM 734 O PRO A 352 3.161 38.695 8.520 1.00 0.00 O ATOM 735 CB PRO A 352 1.578 41.457 8.901 1.00 0.00 C ATOM 736 CG PRO A 352 2.771 41.783 9.744 1.00 0.00 C ATOM 737 CD PRO A 352 2.544 41.063 11.059 1.00 0.00 C ATOM 0 HA PRO A 352 0.186 39.736 9.151 1.00 0.00 H new ATOM 0 HB2 PRO A 352 1.800 41.562 7.839 1.00 0.00 H new ATOM 0 HB3 PRO A 352 0.743 42.123 9.119 1.00 0.00 H new ATOM 0 HG2 PRO A 352 3.692 41.449 9.267 1.00 0.00 H new ATOM 0 HG3 PRO A 352 2.863 42.858 9.896 1.00 0.00 H new ATOM 0 HD2 PRO A 352 3.486 40.753 11.512 1.00 0.00 H new ATOM 0 HD3 PRO A 352 2.038 41.703 11.782 1.00 0.00 H new ATOM 745 N PRO A 353 1.239 38.378 7.319 1.00 0.00 N ATOM 746 CA PRO A 353 1.845 37.446 6.342 1.00 0.00 C ATOM 747 C PRO A 353 2.841 38.157 5.401 1.00 0.00 C ATOM 748 O PRO A 353 2.603 39.289 4.964 1.00 0.00 O ATOM 749 CB PRO A 353 0.618 36.882 5.574 1.00 0.00 C ATOM 750 CG PRO A 353 -0.423 37.949 5.697 1.00 0.00 C ATOM 751 CD PRO A 353 -0.226 38.546 7.076 1.00 0.00 C ATOM 0 HA PRO A 353 2.439 36.666 6.818 1.00 0.00 H new ATOM 0 HB2 PRO A 353 0.860 36.682 4.530 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.276 35.942 6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -0.304 38.705 4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -1.425 37.535 5.588 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.521 39.595 7.106 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.820 38.026 7.828 1.00 0.00 H new ATOM 759 N LEU A 354 3.964 37.491 5.124 1.00 0.00 N ATOM 760 CA LEU A 354 5.021 38.005 4.238 1.00 0.00 C ATOM 761 C LEU A 354 4.860 37.444 2.815 1.00 0.00 C ATOM 762 O LEU A 354 4.165 36.439 2.607 1.00 0.00 O ATOM 763 CB LEU A 354 6.414 37.654 4.827 1.00 0.00 C ATOM 764 CG LEU A 354 6.709 38.247 6.248 1.00 0.00 C ATOM 765 CD1 LEU A 354 8.082 37.780 6.774 1.00 0.00 C ATOM 766 CD2 LEU A 354 6.592 39.801 6.262 1.00 0.00 C ATOM 0 H LEU A 354 4.171 36.570 5.510 1.00 0.00 H new ATOM 0 HA LEU A 354 4.935 39.090 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.506 36.569 4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.181 38.007 4.138 1.00 0.00 H new ATOM 0 HG LEU A 354 5.946 37.862 6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 354 8.258 38.208 7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 354 8.095 36.692 6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 354 8.865 38.110 6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 354 6.804 40.173 7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 354 7.308 40.226 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 354 5.582 40.092 5.973 1.00 0.00 H new ATOM 778 N THR A 355 5.486 38.114 1.834 1.00 0.00 N ATOM 779 CA THR A 355 5.489 37.667 0.429 1.00 0.00 C ATOM 780 C THR A 355 6.830 37.001 0.089 1.00 0.00 C ATOM 781 O THR A 355 6.888 36.048 -0.691 1.00 0.00 O ATOM 782 CB THR A 355 5.186 38.859 -0.540 1.00 0.00 C ATOM 783 OG1 THR A 355 5.067 38.397 -1.900 1.00 0.00 O ATOM 784 CG2 THR A 355 6.242 39.976 -0.484 1.00 0.00 C ATOM 0 H THR A 355 6.004 38.979 1.990 1.00 0.00 H new ATOM 0 HA THR A 355 4.697 36.930 0.297 1.00 0.00 H new ATOM 0 HB THR A 355 4.241 39.281 -0.198 1.00 0.00 H new ATOM 0 HG1 THR A 355 4.876 39.157 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 355 5.970 40.769 -1.180 1.00 0.00 H new ATOM 0 HG22 THR A 355 6.290 40.381 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 355 7.216 39.570 -0.759 1.00 0.00 H new ATOM 792 N SER A 356 7.897 37.506 0.720 1.00 0.00 N ATOM 793 CA SER A 356 9.272 37.003 0.564 1.00 0.00 C ATOM 794 C SER A 356 9.903 36.777 1.951 1.00 0.00 C ATOM 795 O SER A 356 9.401 37.295 2.964 1.00 0.00 O ATOM 796 CB SER A 356 10.108 38.002 -0.279 1.00 0.00 C ATOM 797 OG SER A 356 10.059 39.319 0.249 1.00 0.00 O ATOM 0 H SER A 356 7.830 38.292 1.367 1.00 0.00 H new ATOM 0 HA SER A 356 9.255 36.049 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 356 11.144 37.665 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 356 9.738 38.009 -1.304 1.00 0.00 H new ATOM 0 HG SER A 356 10.599 39.916 -0.310 1.00 0.00 H new ATOM 803 N VAL A 357 10.993 35.985 1.984 1.00 0.00 N ATOM 804 CA VAL A 357 11.765 35.711 3.207 1.00 0.00 C ATOM 805 C VAL A 357 12.343 37.032 3.790 1.00 0.00 C ATOM 806 O VAL A 357 12.861 37.857 3.029 1.00 0.00 O ATOM 807 CB VAL A 357 12.910 34.665 2.913 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.923 35.178 1.854 1.00 0.00 C ATOM 809 CG2 VAL A 357 13.634 34.227 4.209 1.00 0.00 C ATOM 0 H VAL A 357 11.363 35.516 1.157 1.00 0.00 H new ATOM 0 HA VAL A 357 11.099 35.278 3.954 1.00 0.00 H new ATOM 0 HB VAL A 357 12.422 33.787 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 357 14.690 34.422 1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 357 13.401 35.377 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 357 14.390 36.096 2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 357 14.415 33.507 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 357 14.081 35.098 4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 357 12.917 33.767 4.889 1.00 0.00 H new ATOM 819 N PRO A 358 12.225 37.279 5.134 1.00 0.00 N ATOM 820 CA PRO A 358 12.785 38.499 5.766 1.00 0.00 C ATOM 821 C PRO A 358 14.342 38.509 5.722 1.00 0.00 C ATOM 822 O PRO A 358 14.964 37.444 5.611 1.00 0.00 O ATOM 823 CB PRO A 358 12.232 38.429 7.221 1.00 0.00 C ATOM 824 CG PRO A 358 12.001 36.971 7.466 1.00 0.00 C ATOM 825 CD PRO A 358 11.532 36.414 6.139 1.00 0.00 C ATOM 0 HA PRO A 358 12.500 39.418 5.254 1.00 0.00 H new ATOM 0 HB2 PRO A 358 12.943 38.844 7.936 1.00 0.00 H new ATOM 0 HB3 PRO A 358 11.309 38.999 7.322 1.00 0.00 H new ATOM 0 HG2 PRO A 358 12.914 36.478 7.799 1.00 0.00 H new ATOM 0 HG3 PRO A 358 11.254 36.816 8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 358 11.807 35.366 6.024 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.448 36.472 6.040 1.00 0.00 H new ATOM 833 N PRO A 359 15.002 39.715 5.835 1.00 0.00 N ATOM 834 CA PRO A 359 16.496 39.839 5.817 1.00 0.00 C ATOM 835 C PRO A 359 17.162 39.421 7.159 1.00 0.00 C ATOM 836 O PRO A 359 18.344 39.718 7.393 1.00 0.00 O ATOM 837 CB PRO A 359 16.692 41.354 5.541 1.00 0.00 C ATOM 838 CG PRO A 359 15.529 41.985 6.234 1.00 0.00 C ATOM 839 CD PRO A 359 14.358 41.058 5.977 1.00 0.00 C ATOM 0 HA PRO A 359 16.962 39.181 5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 359 17.641 41.715 5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 359 16.690 41.572 4.473 1.00 0.00 H new ATOM 0 HG2 PRO A 359 15.719 42.092 7.302 1.00 0.00 H new ATOM 0 HG3 PRO A 359 15.333 42.984 5.843 1.00 0.00 H new ATOM 0 HD2 PRO A 359 13.644 41.076 6.800 1.00 0.00 H new ATOM 0 HD3 PRO A 359 13.813 41.339 5.076 1.00 0.00 H new ATOM 847 N GLU A 360 16.391 38.749 8.032 1.00 0.00 N ATOM 848 CA GLU A 360 16.860 38.285 9.345 1.00 0.00 C ATOM 849 C GLU A 360 17.811 37.068 9.192 1.00 0.00 C ATOM 850 O GLU A 360 17.460 36.109 8.493 1.00 0.00 O ATOM 851 CB GLU A 360 15.644 37.915 10.242 1.00 0.00 C ATOM 852 CG GLU A 360 14.560 39.007 10.354 1.00 0.00 C ATOM 853 CD GLU A 360 15.081 40.348 10.897 1.00 0.00 C ATOM 854 OE1 GLU A 360 15.305 41.288 10.097 1.00 0.00 O ATOM 855 OE2 GLU A 360 15.281 40.471 12.125 1.00 0.00 O ATOM 0 H GLU A 360 15.417 38.512 7.842 1.00 0.00 H new ATOM 0 HA GLU A 360 17.418 39.092 9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 360 15.185 37.008 9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 360 16.008 37.681 11.243 1.00 0.00 H new ATOM 0 HG2 GLU A 360 14.120 39.171 9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 360 13.762 38.648 11.004 1.00 0.00 H new ATOM 862 N PRO A 361 19.020 37.092 9.849 1.00 0.00 N ATOM 863 CA PRO A 361 19.955 35.929 9.874 1.00 0.00 C ATOM 864 C PRO A 361 19.397 34.779 10.756 1.00 0.00 C ATOM 865 O PRO A 361 19.696 33.606 10.543 1.00 0.00 O ATOM 866 CB PRO A 361 21.256 36.537 10.461 1.00 0.00 C ATOM 867 CG PRO A 361 20.790 37.680 11.314 1.00 0.00 C ATOM 868 CD PRO A 361 19.571 38.251 10.611 1.00 0.00 C ATOM 0 HA PRO A 361 20.110 35.475 8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 361 21.806 35.803 11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 361 21.925 36.879 9.671 1.00 0.00 H new ATOM 0 HG2 PRO A 361 20.539 37.341 12.319 1.00 0.00 H new ATOM 0 HG3 PRO A 361 21.570 38.434 11.418 1.00 0.00 H new ATOM 0 HD2 PRO A 361 18.845 38.642 11.324 1.00 0.00 H new ATOM 0 HD3 PRO A 361 19.841 39.073 9.948 1.00 0.00 H new ATOM 876 N GLU A 362 18.570 35.162 11.745 1.00 0.00 N ATOM 877 CA GLU A 362 17.890 34.251 12.681 1.00 0.00 C ATOM 878 C GLU A 362 16.405 34.636 12.696 1.00 0.00 C ATOM 879 O GLU A 362 16.086 35.833 12.677 1.00 0.00 O ATOM 880 CB GLU A 362 18.546 34.387 14.087 1.00 0.00 C ATOM 881 CG GLU A 362 18.558 35.833 14.635 1.00 0.00 C ATOM 882 CD GLU A 362 19.469 36.025 15.856 1.00 0.00 C ATOM 883 OE1 GLU A 362 20.696 36.144 15.666 1.00 0.00 O ATOM 884 OE2 GLU A 362 18.971 36.067 17.003 1.00 0.00 O ATOM 0 H GLU A 362 18.350 36.143 11.920 1.00 0.00 H new ATOM 0 HA GLU A 362 17.983 33.208 12.379 1.00 0.00 H new ATOM 0 HB2 GLU A 362 18.012 33.747 14.790 1.00 0.00 H new ATOM 0 HB3 GLU A 362 19.571 34.020 14.036 1.00 0.00 H new ATOM 0 HG2 GLU A 362 18.880 36.509 13.843 1.00 0.00 H new ATOM 0 HG3 GLU A 362 17.541 36.118 14.904 1.00 0.00 H new ATOM 891 N TRP A 363 15.499 33.649 12.685 1.00 0.00 N ATOM 892 CA TRP A 363 14.051 33.908 12.613 1.00 0.00 C ATOM 893 C TRP A 363 13.336 33.260 13.803 1.00 0.00 C ATOM 894 O TRP A 363 13.619 32.111 14.178 1.00 0.00 O ATOM 895 CB TRP A 363 13.448 33.408 11.266 1.00 0.00 C ATOM 896 CG TRP A 363 12.005 33.823 11.076 1.00 0.00 C ATOM 897 CD1 TRP A 363 11.550 35.007 10.566 1.00 0.00 C ATOM 898 CD2 TRP A 363 10.835 33.071 11.437 1.00 0.00 C ATOM 899 NE1 TRP A 363 10.181 35.030 10.581 1.00 0.00 N ATOM 900 CE2 TRP A 363 9.719 33.854 11.105 1.00 0.00 C ATOM 901 CE3 TRP A 363 10.626 31.803 11.983 1.00 0.00 C ATOM 902 CZ2 TRP A 363 8.420 33.427 11.331 1.00 0.00 C ATOM 903 CZ3 TRP A 363 9.334 31.378 12.212 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.241 32.185 11.874 1.00 0.00 C ATOM 0 H TRP A 363 15.743 32.659 12.725 1.00 0.00 H new ATOM 0 HA TRP A 363 13.899 34.986 12.659 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.044 33.797 10.440 1.00 0.00 H new ATOM 0 HB3 TRP A 363 13.517 32.321 11.224 1.00 0.00 H new ATOM 0 HD1 TRP A 363 12.179 35.807 10.204 1.00 0.00 H new ATOM 0 HE1 TRP A 363 9.599 35.801 10.254 1.00 0.00 H new ATOM 0 HE3 TRP A 363 11.464 31.165 12.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 7.576 34.055 11.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 9.163 30.409 12.658 1.00 0.00 H new ATOM 0 HH2 TRP A 363 7.239 31.820 12.045 1.00 0.00 H new ATOM 915 N TYR A 364 12.393 34.023 14.380 1.00 0.00 N ATOM 916 CA TYR A 364 11.557 33.600 15.510 1.00 0.00 C ATOM 917 C TYR A 364 10.091 33.927 15.201 1.00 0.00 C ATOM 918 O TYR A 364 9.790 34.876 14.463 1.00 0.00 O ATOM 919 CB TYR A 364 12.005 34.312 16.816 1.00 0.00 C ATOM 920 CG TYR A 364 13.502 34.136 17.128 1.00 0.00 C ATOM 921 CD1 TYR A 364 14.418 35.167 16.884 1.00 0.00 C ATOM 922 CD2 TYR A 364 13.996 32.923 17.614 1.00 0.00 C ATOM 923 CE1 TYR A 364 15.765 34.990 17.109 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.343 32.747 17.849 1.00 0.00 C ATOM 925 CZ TYR A 364 16.224 33.784 17.595 1.00 0.00 C ATOM 926 OH TYR A 364 17.575 33.604 17.819 1.00 0.00 O ATOM 0 H TYR A 364 12.188 34.971 14.065 1.00 0.00 H new ATOM 0 HA TYR A 364 11.667 32.525 15.656 1.00 0.00 H new ATOM 0 HB2 TYR A 364 11.781 35.376 16.736 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.420 33.925 17.650 1.00 0.00 H new ATOM 0 HD1 TYR A 364 14.062 36.117 16.513 1.00 0.00 H new ATOM 0 HD2 TYR A 364 13.312 32.110 17.809 1.00 0.00 H new ATOM 0 HE1 TYR A 364 16.459 35.792 16.906 1.00 0.00 H new ATOM 0 HE2 TYR A 364 15.709 31.805 18.229 1.00 0.00 H new ATOM 0 HH TYR A 364 18.060 34.418 17.567 1.00 0.00 H new ATOM 936 N CYS A 365 9.189 33.125 15.777 1.00 0.00 N ATOM 937 CA CYS A 365 7.731 33.288 15.626 1.00 0.00 C ATOM 938 C CYS A 365 7.237 34.488 16.474 1.00 0.00 C ATOM 939 O CYS A 365 7.947 34.882 17.414 1.00 0.00 O ATOM 940 CB CYS A 365 7.025 31.984 16.052 1.00 0.00 C ATOM 941 SG CYS A 365 7.093 31.632 17.832 1.00 0.00 S ATOM 0 H CYS A 365 9.449 32.335 16.368 1.00 0.00 H new ATOM 0 HA CYS A 365 7.492 33.493 14.583 1.00 0.00 H new ATOM 0 HB2 CYS A 365 5.980 32.035 15.745 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.475 31.150 15.513 1.00 0.00 H new ATOM 0 HG CYS A 365 8.265 31.953 18.293 1.00 0.00 H new ATOM 946 N PRO A 366 6.031 35.085 16.165 1.00 0.00 N ATOM 947 CA PRO A 366 5.478 36.247 16.920 1.00 0.00 C ATOM 948 C PRO A 366 5.457 36.053 18.464 1.00 0.00 C ATOM 949 O PRO A 366 5.772 36.982 19.202 1.00 0.00 O ATOM 950 CB PRO A 366 4.038 36.424 16.334 1.00 0.00 C ATOM 951 CG PRO A 366 3.775 35.174 15.535 1.00 0.00 C ATOM 952 CD PRO A 366 5.122 34.728 15.029 1.00 0.00 C ATOM 0 HA PRO A 366 6.106 37.129 16.796 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.302 36.544 17.129 1.00 0.00 H new ATOM 0 HB3 PRO A 366 3.976 37.312 15.706 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.313 34.404 16.152 1.00 0.00 H new ATOM 0 HG3 PRO A 366 3.092 35.373 14.709 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.141 33.659 14.815 1.00 0.00 H new ATOM 0 HD3 PRO A 366 5.401 35.243 14.109 1.00 0.00 H new ATOM 960 N SER A 367 5.140 34.823 18.928 1.00 0.00 N ATOM 961 CA SER A 367 5.046 34.498 20.375 1.00 0.00 C ATOM 962 C SER A 367 6.419 34.618 21.098 1.00 0.00 C ATOM 963 O SER A 367 6.464 34.831 22.307 1.00 0.00 O ATOM 964 CB SER A 367 4.445 33.090 20.563 1.00 0.00 C ATOM 965 OG SER A 367 4.218 32.777 21.926 1.00 0.00 O ATOM 0 H SER A 367 4.943 34.030 18.317 1.00 0.00 H new ATOM 0 HA SER A 367 4.385 35.232 20.836 1.00 0.00 H new ATOM 0 HB2 SER A 367 3.504 33.024 20.016 1.00 0.00 H new ATOM 0 HB3 SER A 367 5.118 32.350 20.130 1.00 0.00 H new ATOM 0 HG SER A 367 3.836 31.877 21.996 1.00 0.00 H new ATOM 971 N CYS A 368 7.532 34.497 20.340 1.00 0.00 N ATOM 972 CA CYS A 368 8.907 34.630 20.887 1.00 0.00 C ATOM 973 C CYS A 368 9.340 36.104 21.046 1.00 0.00 C ATOM 974 O CYS A 368 10.436 36.369 21.536 1.00 0.00 O ATOM 975 CB CYS A 368 9.913 33.843 20.014 1.00 0.00 C ATOM 976 SG CYS A 368 9.918 32.059 20.345 1.00 0.00 S ATOM 0 H CYS A 368 7.507 34.306 19.338 1.00 0.00 H new ATOM 0 HA CYS A 368 8.901 34.200 21.889 1.00 0.00 H new ATOM 0 HB2 CYS A 368 9.677 34.009 18.963 1.00 0.00 H new ATOM 0 HB3 CYS A 368 10.915 34.238 20.182 1.00 0.00 H new ATOM 0 HG CYS A 368 10.178 31.415 19.246 1.00 0.00 H new