USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 497 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 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.00042) USER MOD Single : A 26 GLN : amide:sc= 0.654 K(o=0.65,f=-3.7!) USER MOD Single : A 29 THR OG1 : rot 66:sc= 1 USER MOD Single : A 33 SER OG : rot 180:sc= -0.126 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0541 X(o=-0.054,f=-0.45) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 89:sc= -0.516 USER MOD Single : A 45 GLN : amide:sc= -0.164 K(o=-0.16,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.438 F(o=-1,f=-0.44) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -177:sc= -1.1 (180deg=-1.18) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.01) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00182) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 140:sc= 0.00929 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.544 USER MOD ----------------------------------------------------------------- ATOM 248 N GLU A 17 -4.440 -11.731 -3.241 1.00 0.00 N ATOM 249 CA GLU A 17 -3.149 -11.041 -3.361 1.00 0.00 C ATOM 250 C GLU A 17 -3.241 -9.957 -4.445 1.00 0.00 C ATOM 251 O GLU A 17 -2.870 -8.808 -4.210 1.00 0.00 O ATOM 252 CB GLU A 17 -2.034 -12.083 -3.694 1.00 0.00 C ATOM 253 CG GLU A 17 -0.588 -11.650 -3.342 1.00 0.00 C ATOM 254 CD GLU A 17 -0.037 -10.485 -4.193 1.00 0.00 C ATOM 255 OE1 GLU A 17 0.370 -10.725 -5.350 1.00 0.00 O ATOM 256 OE2 GLU A 17 0.015 -9.334 -3.703 1.00 0.00 O ATOM 0 HA GLU A 17 -2.896 -10.556 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.256 -13.009 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.078 -12.308 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.555 -11.361 -2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.072 -12.510 -3.457 1.00 0.00 H new ATOM 263 N GLY A 18 -3.738 -10.355 -5.631 1.00 0.00 N ATOM 264 CA GLY A 18 -3.949 -9.438 -6.757 1.00 0.00 C ATOM 265 C GLY A 18 -4.747 -8.186 -6.410 1.00 0.00 C ATOM 266 O GLY A 18 -4.427 -7.091 -6.871 1.00 0.00 O ATOM 0 H GLY A 18 -4.003 -11.320 -5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.978 -9.137 -7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.465 -9.974 -7.554 1.00 0.00 H new ATOM 270 N HIS A 19 -5.764 -8.354 -5.551 1.00 0.00 N ATOM 271 CA HIS A 19 -6.646 -7.247 -5.147 1.00 0.00 C ATOM 272 C HIS A 19 -6.019 -6.440 -4.009 1.00 0.00 C ATOM 273 O HIS A 19 -6.222 -5.233 -3.924 1.00 0.00 O ATOM 274 CB HIS A 19 -8.030 -7.780 -4.734 1.00 0.00 C ATOM 275 CG HIS A 19 -9.057 -6.695 -4.548 1.00 0.00 C ATOM 276 ND1 HIS A 19 -9.770 -6.510 -3.387 1.00 0.00 N ATOM 277 CD2 HIS A 19 -9.489 -5.736 -5.396 1.00 0.00 C ATOM 278 CE1 HIS A 19 -10.593 -5.499 -3.530 1.00 0.00 C ATOM 279 NE2 HIS A 19 -10.437 -5.012 -4.739 1.00 0.00 N ATOM 0 H HIS A 19 -5.997 -9.249 -5.121 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.774 -6.585 -6.003 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.383 -8.478 -5.493 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.933 -8.341 -3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.146 -5.574 -6.407 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -11.280 -5.131 -2.783 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -10.946 -4.217 -5.125 1.00 0.00 H new ATOM 288 N LEU A 20 -5.260 -7.136 -3.154 1.00 0.00 N ATOM 289 CA LEU A 20 -4.542 -6.551 -2.015 1.00 0.00 C ATOM 290 C LEU A 20 -3.534 -5.497 -2.543 1.00 0.00 C ATOM 291 O LEU A 20 -3.566 -4.326 -2.130 1.00 0.00 O ATOM 292 CB LEU A 20 -3.832 -7.708 -1.228 1.00 0.00 C ATOM 293 CG LEU A 20 -3.513 -7.478 0.285 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.477 -6.364 0.502 1.00 0.00 C ATOM 295 CD2 LEU A 20 -4.807 -7.212 1.096 1.00 0.00 C ATOM 0 H LEU A 20 -5.125 -8.144 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.223 -6.044 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.457 -8.598 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.894 -7.932 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.065 -8.399 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.290 -6.244 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.547 -6.629 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.858 -5.428 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.554 -7.056 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.304 -6.324 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.474 -8.069 1.008 1.00 0.00 H new ATOM 307 N GLU A 21 -2.696 -5.944 -3.500 1.00 0.00 N ATOM 308 CA GLU A 21 -1.720 -5.098 -4.200 1.00 0.00 C ATOM 309 C GLU A 21 -2.432 -3.944 -4.934 1.00 0.00 C ATOM 310 O GLU A 21 -2.040 -2.778 -4.789 1.00 0.00 O ATOM 311 CB GLU A 21 -0.891 -5.952 -5.208 1.00 0.00 C ATOM 312 CG GLU A 21 -0.006 -5.117 -6.160 1.00 0.00 C ATOM 313 CD GLU A 21 0.790 -5.948 -7.176 1.00 0.00 C ATOM 314 OE1 GLU A 21 0.247 -6.249 -8.262 1.00 0.00 O ATOM 315 OE2 GLU A 21 1.949 -6.311 -6.900 1.00 0.00 O ATOM 0 H GLU A 21 -2.681 -6.916 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.041 -4.670 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.257 -6.641 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.574 -6.559 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.638 -4.413 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.691 -4.527 -5.565 1.00 0.00 H new ATOM 322 N GLN A 22 -3.515 -4.290 -5.678 1.00 0.00 N ATOM 323 CA GLN A 22 -4.233 -3.336 -6.559 1.00 0.00 C ATOM 324 C GLN A 22 -4.793 -2.170 -5.725 1.00 0.00 C ATOM 325 O GLN A 22 -4.706 -1.006 -6.133 1.00 0.00 O ATOM 326 CB GLN A 22 -5.380 -4.053 -7.357 1.00 0.00 C ATOM 327 CG GLN A 22 -5.578 -3.565 -8.819 1.00 0.00 C ATOM 328 CD GLN A 22 -6.024 -2.100 -8.962 1.00 0.00 C ATOM 329 OE1 GLN A 22 -5.206 -1.183 -9.018 1.00 0.00 O ATOM 330 NE2 GLN A 22 -7.321 -1.874 -9.056 1.00 0.00 N ATOM 0 H GLN A 22 -3.911 -5.230 -5.683 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.525 -2.939 -7.287 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.174 -5.123 -7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.316 -3.917 -6.816 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.641 -3.698 -9.360 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.318 -4.203 -9.302 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.979 -2.652 -9.007 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.665 -0.922 -9.178 1.00 0.00 H new ATOM 339 N ARG A 23 -5.334 -2.508 -4.540 1.00 0.00 N ATOM 340 CA ARG A 23 -5.937 -1.543 -3.618 1.00 0.00 C ATOM 341 C ARG A 23 -4.913 -0.549 -3.083 1.00 0.00 C ATOM 342 O ARG A 23 -5.147 0.662 -3.148 1.00 0.00 O ATOM 343 CB ARG A 23 -6.642 -2.298 -2.448 1.00 0.00 C ATOM 344 CG ARG A 23 -8.049 -2.838 -2.789 1.00 0.00 C ATOM 345 CD ARG A 23 -9.150 -1.765 -2.666 1.00 0.00 C ATOM 346 NE ARG A 23 -8.880 -0.542 -3.445 1.00 0.00 N ATOM 347 CZ ARG A 23 -8.999 0.715 -2.982 1.00 0.00 C ATOM 348 NH1 ARG A 23 -9.400 0.953 -1.739 1.00 0.00 N ATOM 349 NH2 ARG A 23 -8.704 1.732 -3.765 1.00 0.00 N ATOM 0 H ARG A 23 -5.362 -3.468 -4.198 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.679 -0.967 -4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.012 -3.132 -2.139 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.722 -1.625 -1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.045 -3.232 -3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.284 -3.670 -2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.098 -2.191 -2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.267 -1.497 -1.616 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.579 -0.659 -4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.624 0.176 -1.118 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.484 1.913 -1.405 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.386 1.565 -4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.793 2.687 -3.417 1.00 0.00 H new ATOM 363 N ILE A 24 -3.774 -1.072 -2.588 1.00 0.00 N ATOM 364 CA ILE A 24 -2.713 -0.243 -1.993 1.00 0.00 C ATOM 365 C ILE A 24 -2.206 0.786 -3.019 1.00 0.00 C ATOM 366 O ILE A 24 -2.179 1.988 -2.729 1.00 0.00 O ATOM 367 CB ILE A 24 -1.506 -1.097 -1.461 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.973 -2.102 -0.364 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.378 -0.183 -0.920 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.889 -3.036 0.147 1.00 0.00 C ATOM 0 H ILE A 24 -3.567 -2.071 -2.590 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.153 0.269 -1.137 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.108 -1.670 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.374 -1.538 0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.790 -2.702 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.446 -0.798 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.022 0.467 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.764 0.426 -0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.307 -3.697 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.502 -3.631 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.079 -2.450 0.582 1.00 0.00 H new ATOM 382 N LEU A 25 -1.885 0.302 -4.238 1.00 0.00 N ATOM 383 CA LEU A 25 -1.323 1.126 -5.318 1.00 0.00 C ATOM 384 C LEU A 25 -2.301 2.226 -5.745 1.00 0.00 C ATOM 385 O LEU A 25 -1.889 3.363 -5.982 1.00 0.00 O ATOM 386 CB LEU A 25 -0.972 0.226 -6.536 1.00 0.00 C ATOM 387 CG LEU A 25 0.112 -0.862 -6.274 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.309 -1.768 -7.507 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.439 -0.219 -5.830 1.00 0.00 C ATOM 0 H LEU A 25 -2.011 -0.677 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.418 1.606 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.883 -0.267 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.632 0.864 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.240 -1.496 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.072 -2.516 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.630 -2.266 -7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.625 -1.163 -8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.180 -0.999 -5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.797 0.452 -6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.280 0.346 -4.911 1.00 0.00 H new ATOM 401 N GLN A 26 -3.606 1.884 -5.784 1.00 0.00 N ATOM 402 CA GLN A 26 -4.657 2.805 -6.241 1.00 0.00 C ATOM 403 C GLN A 26 -4.876 3.931 -5.211 1.00 0.00 C ATOM 404 O GLN A 26 -5.037 5.088 -5.591 1.00 0.00 O ATOM 405 CB GLN A 26 -5.988 2.050 -6.502 1.00 0.00 C ATOM 406 CG GLN A 26 -7.132 2.952 -7.019 1.00 0.00 C ATOM 407 CD GLN A 26 -8.453 2.218 -7.237 1.00 0.00 C ATOM 408 OE1 GLN A 26 -8.744 1.219 -6.583 1.00 0.00 O ATOM 409 NE2 GLN A 26 -9.288 2.735 -8.117 1.00 0.00 N ATOM 0 H GLN A 26 -3.954 0.968 -5.501 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.327 3.248 -7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.808 1.257 -7.228 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.308 1.569 -5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.292 3.762 -6.307 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.823 3.410 -7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.021 3.565 -8.647 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.201 2.305 -8.268 1.00 0.00 H new ATOM 418 N VAL A 27 -4.871 3.580 -3.909 1.00 0.00 N ATOM 419 CA VAL A 27 -4.997 4.561 -2.806 1.00 0.00 C ATOM 420 C VAL A 27 -3.793 5.532 -2.810 1.00 0.00 C ATOM 421 O VAL A 27 -3.945 6.736 -2.584 1.00 0.00 O ATOM 422 CB VAL A 27 -5.133 3.834 -1.408 1.00 0.00 C ATOM 423 CG1 VAL A 27 -5.143 4.838 -0.225 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.397 2.937 -1.377 1.00 0.00 C ATOM 0 H VAL A 27 -4.780 2.615 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.907 5.139 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.253 3.202 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.238 4.293 0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.213 5.406 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.985 5.521 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.471 2.446 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.283 3.551 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.327 2.183 -2.161 1.00 0.00 H new ATOM 434 N LEU A 28 -2.608 5.003 -3.124 1.00 0.00 N ATOM 435 CA LEU A 28 -1.375 5.807 -3.220 1.00 0.00 C ATOM 436 C LEU A 28 -1.401 6.722 -4.470 1.00 0.00 C ATOM 437 O LEU A 28 -0.804 7.806 -4.465 1.00 0.00 O ATOM 438 CB LEU A 28 -0.152 4.863 -3.230 1.00 0.00 C ATOM 439 CG LEU A 28 0.068 4.034 -1.926 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.165 2.972 -2.118 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.371 4.944 -0.720 1.00 0.00 C ATOM 0 H LEU A 28 -2.470 4.011 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.304 6.463 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.256 4.171 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.742 5.457 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.864 3.511 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.295 2.411 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.875 2.290 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.103 3.461 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.518 4.332 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.275 5.521 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.465 5.624 -0.558 1.00 0.00 H new ATOM 453 N THR A 29 -2.116 6.274 -5.527 1.00 0.00 N ATOM 454 CA THR A 29 -2.304 7.032 -6.777 1.00 0.00 C ATOM 455 C THR A 29 -3.281 8.199 -6.589 1.00 0.00 C ATOM 456 O THR A 29 -2.969 9.339 -6.950 1.00 0.00 O ATOM 457 CB THR A 29 -2.817 6.081 -7.912 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.839 5.065 -8.142 1.00 0.00 O ATOM 459 CG2 THR A 29 -3.110 6.808 -9.235 1.00 0.00 C ATOM 0 H THR A 29 -2.582 5.367 -5.532 1.00 0.00 H new ATOM 0 HA THR A 29 -1.337 7.448 -7.062 1.00 0.00 H new ATOM 0 HB THR A 29 -3.761 5.657 -7.570 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.763 4.498 -7.346 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.461 6.089 -9.975 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.877 7.565 -9.072 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.200 7.286 -9.597 1.00 0.00 H new ATOM 467 N GLU A 30 -4.452 7.913 -5.993 1.00 0.00 N ATOM 468 CA GLU A 30 -5.527 8.903 -5.813 1.00 0.00 C ATOM 469 C GLU A 30 -5.094 9.993 -4.838 1.00 0.00 C ATOM 470 O GLU A 30 -5.520 11.147 -4.949 1.00 0.00 O ATOM 471 CB GLU A 30 -6.806 8.193 -5.308 1.00 0.00 C ATOM 472 CG GLU A 30 -7.427 7.223 -6.324 1.00 0.00 C ATOM 473 CD GLU A 30 -7.962 7.925 -7.583 1.00 0.00 C ATOM 474 OE1 GLU A 30 -9.125 8.397 -7.563 1.00 0.00 O ATOM 475 OE2 GLU A 30 -7.231 8.002 -8.603 1.00 0.00 O ATOM 0 H GLU A 30 -4.679 6.990 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.740 9.376 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.568 7.645 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.547 8.947 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.679 6.486 -6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.241 6.678 -5.846 1.00 0.00 H new ATOM 482 N ALA A 31 -4.258 9.597 -3.871 1.00 0.00 N ATOM 483 CA ALA A 31 -3.572 10.523 -2.981 1.00 0.00 C ATOM 484 C ALA A 31 -2.618 11.428 -3.764 1.00 0.00 C ATOM 485 O ALA A 31 -2.613 12.651 -3.573 1.00 0.00 O ATOM 486 CB ALA A 31 -2.800 9.739 -1.928 1.00 0.00 C ATOM 0 H ALA A 31 -4.041 8.617 -3.688 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.316 11.154 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.287 10.432 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.492 9.126 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.068 9.096 -2.417 1.00 0.00 H new ATOM 492 N GLY A 32 -1.810 10.798 -4.645 1.00 0.00 N ATOM 493 CA GLY A 32 -0.695 11.480 -5.303 1.00 0.00 C ATOM 494 C GLY A 32 0.342 11.948 -4.292 1.00 0.00 C ATOM 495 O GLY A 32 1.073 12.909 -4.526 1.00 0.00 O ATOM 0 H GLY A 32 -1.916 9.819 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.227 10.807 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.070 12.335 -5.865 1.00 0.00 H new ATOM 499 N SER A 33 0.397 11.223 -3.165 1.00 0.00 N ATOM 500 CA SER A 33 1.091 11.638 -1.947 1.00 0.00 C ATOM 501 C SER A 33 1.359 10.401 -1.069 1.00 0.00 C ATOM 502 O SER A 33 0.617 9.405 -1.160 1.00 0.00 O ATOM 503 CB SER A 33 0.220 12.689 -1.185 1.00 0.00 C ATOM 504 OG SER A 33 0.856 13.182 -0.012 1.00 0.00 O ATOM 0 H SER A 33 -0.052 10.311 -3.078 1.00 0.00 H new ATOM 0 HA SER A 33 2.046 12.100 -2.197 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.001 13.523 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.734 12.236 -0.913 1.00 0.00 H new ATOM 0 HG SER A 33 0.272 13.836 0.426 1.00 0.00 H new ATOM 510 N PRO A 34 2.453 10.419 -0.243 1.00 0.00 N ATOM 511 CA PRO A 34 2.719 9.359 0.758 1.00 0.00 C ATOM 512 C PRO A 34 1.541 9.177 1.744 1.00 0.00 C ATOM 513 O PRO A 34 1.103 10.136 2.387 1.00 0.00 O ATOM 514 CB PRO A 34 4.012 9.848 1.475 1.00 0.00 C ATOM 515 CG PRO A 34 4.136 11.302 1.126 1.00 0.00 C ATOM 516 CD PRO A 34 3.542 11.437 -0.250 1.00 0.00 C ATOM 0 HA PRO A 34 2.838 8.376 0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.940 9.708 2.554 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.884 9.287 1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.605 11.925 1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.178 11.621 1.137 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.156 12.441 -0.427 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.277 11.237 -1.029 1.00 0.00 H new ATOM 524 N VAL A 35 1.027 7.939 1.819 1.00 0.00 N ATOM 525 CA VAL A 35 -0.083 7.551 2.701 1.00 0.00 C ATOM 526 C VAL A 35 0.449 6.573 3.756 1.00 0.00 C ATOM 527 O VAL A 35 1.220 5.661 3.436 1.00 0.00 O ATOM 528 CB VAL A 35 -1.249 6.868 1.887 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.394 6.391 2.797 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.780 7.810 0.791 1.00 0.00 C ATOM 0 H VAL A 35 1.379 7.165 1.256 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.486 8.446 3.176 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.827 5.983 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.172 5.928 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.011 5.664 3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.811 7.243 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.583 7.316 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.161 8.723 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.972 8.059 0.103 1.00 0.00 H new ATOM 540 N LYS A 36 0.021 6.767 5.011 1.00 0.00 N ATOM 541 CA LYS A 36 0.403 5.905 6.131 1.00 0.00 C ATOM 542 C LYS A 36 -0.362 4.584 6.041 1.00 0.00 C ATOM 543 O LYS A 36 -1.506 4.555 5.554 1.00 0.00 O ATOM 544 CB LYS A 36 0.113 6.624 7.476 1.00 0.00 C ATOM 545 CG LYS A 36 0.868 7.961 7.634 1.00 0.00 C ATOM 546 CD LYS A 36 0.703 8.604 9.030 1.00 0.00 C ATOM 547 CE LYS A 36 1.498 9.916 9.165 1.00 0.00 C ATOM 548 NZ LYS A 36 1.330 10.547 10.503 1.00 0.00 N ATOM 0 H LYS A 36 -0.602 7.530 5.276 1.00 0.00 H new ATOM 0 HA LYS A 36 1.471 5.693 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.958 6.809 7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.385 5.963 8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.928 7.795 7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.514 8.660 6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.353 8.801 9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.035 7.900 9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.555 9.716 8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.174 10.615 8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.884 11.426 10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.325 10.763 10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.663 9.893 11.240 1.00 0.00 H new ATOM 562 N LEU A 37 0.290 3.510 6.521 1.00 0.00 N ATOM 563 CA LEU A 37 -0.269 2.151 6.529 1.00 0.00 C ATOM 564 C LEU A 37 -1.641 2.123 7.224 1.00 0.00 C ATOM 565 O LEU A 37 -2.560 1.479 6.729 1.00 0.00 O ATOM 566 CB LEU A 37 0.709 1.158 7.212 1.00 0.00 C ATOM 567 CG LEU A 37 0.208 -0.318 7.372 1.00 0.00 C ATOM 568 CD1 LEU A 37 -0.208 -0.946 6.022 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.269 -1.186 8.084 1.00 0.00 C ATOM 0 H LEU A 37 1.228 3.564 6.917 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.408 1.839 5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.636 1.143 6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.952 1.545 8.202 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.686 -0.286 7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.548 -1.969 6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.016 -0.361 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.646 -0.951 5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.898 -2.206 8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.188 -1.190 7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.471 -0.775 9.073 1.00 0.00 H new ATOM 581 N ALA A 38 -1.737 2.836 8.365 1.00 0.00 N ATOM 582 CA ALA A 38 -3.004 3.107 9.080 1.00 0.00 C ATOM 583 C ALA A 38 -4.165 3.499 8.135 1.00 0.00 C ATOM 584 O ALA A 38 -5.240 2.890 8.185 1.00 0.00 O ATOM 585 CB ALA A 38 -2.782 4.214 10.112 1.00 0.00 C ATOM 0 H ALA A 38 -0.924 3.247 8.824 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.298 2.179 9.570 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.715 4.413 10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.023 3.898 10.827 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.450 5.121 9.607 1.00 0.00 H new ATOM 591 N GLN A 39 -3.930 4.484 7.247 1.00 0.00 N ATOM 592 CA GLN A 39 -4.949 4.970 6.303 1.00 0.00 C ATOM 593 C GLN A 39 -5.167 3.957 5.162 1.00 0.00 C ATOM 594 O GLN A 39 -6.288 3.817 4.663 1.00 0.00 O ATOM 595 CB GLN A 39 -4.543 6.363 5.754 1.00 0.00 C ATOM 596 CG GLN A 39 -5.499 6.942 4.688 1.00 0.00 C ATOM 597 CD GLN A 39 -5.186 8.379 4.274 1.00 0.00 C ATOM 598 OE1 GLN A 39 -4.720 9.195 5.068 1.00 0.00 O ATOM 599 NE2 GLN A 39 -5.406 8.698 3.017 1.00 0.00 N ATOM 0 H GLN A 39 -3.032 4.962 7.166 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.897 5.074 6.831 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.483 7.063 6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.543 6.292 5.325 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.465 6.306 3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.519 6.901 5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.793 8.006 2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.190 9.637 2.684 1.00 0.00 H new ATOM 608 N LEU A 40 -4.101 3.212 4.797 1.00 0.00 N ATOM 609 CA LEU A 40 -4.180 2.142 3.783 1.00 0.00 C ATOM 610 C LEU A 40 -5.155 1.036 4.249 1.00 0.00 C ATOM 611 O LEU A 40 -5.840 0.445 3.425 1.00 0.00 O ATOM 612 CB LEU A 40 -2.773 1.537 3.473 1.00 0.00 C ATOM 613 CG LEU A 40 -1.761 2.483 2.742 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.354 1.840 2.639 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.296 2.883 1.346 1.00 0.00 C ATOM 0 H LEU A 40 -3.170 3.335 5.194 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.558 2.583 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.324 1.215 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.910 0.645 2.863 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.661 3.389 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.322 2.524 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.027 1.636 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.420 0.907 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.578 3.540 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.440 1.988 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.247 3.403 1.456 1.00 0.00 H new ATOM 627 N VAL A 41 -5.214 0.788 5.578 1.00 0.00 N ATOM 628 CA VAL A 41 -6.115 -0.223 6.186 1.00 0.00 C ATOM 629 C VAL A 41 -7.591 0.073 5.880 1.00 0.00 C ATOM 630 O VAL A 41 -8.296 -0.775 5.309 1.00 0.00 O ATOM 631 CB VAL A 41 -5.919 -0.328 7.752 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.833 -1.410 8.367 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.445 -0.585 8.120 1.00 0.00 C ATOM 0 H VAL A 41 -4.639 1.282 6.260 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.843 -1.177 5.735 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.208 0.634 8.176 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.671 -1.454 9.444 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.875 -1.163 8.166 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.598 -2.378 7.925 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.347 -0.652 9.204 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.115 -1.520 7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.829 0.235 7.750 1.00 0.00 H new ATOM 643 N LYS A 42 -8.029 1.297 6.236 1.00 0.00 N ATOM 644 CA LYS A 42 -9.439 1.682 6.128 1.00 0.00 C ATOM 645 C LYS A 42 -9.869 1.792 4.656 1.00 0.00 C ATOM 646 O LYS A 42 -10.956 1.337 4.294 1.00 0.00 O ATOM 647 CB LYS A 42 -9.749 2.998 6.898 1.00 0.00 C ATOM 648 CG LYS A 42 -9.009 4.252 6.378 1.00 0.00 C ATOM 649 CD LYS A 42 -9.529 5.573 6.993 1.00 0.00 C ATOM 650 CE LYS A 42 -8.852 6.802 6.370 1.00 0.00 C ATOM 651 NZ LYS A 42 -9.392 8.074 6.910 1.00 0.00 N ATOM 0 H LYS A 42 -7.422 2.032 6.600 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.023 0.891 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.822 3.183 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.495 2.855 7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.945 4.153 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.110 4.300 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.607 5.641 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.351 5.567 8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.779 6.757 6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.989 6.781 5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.906 8.876 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.411 8.131 6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.238 8.108 7.938 1.00 0.00 H new ATOM 665 N GLU A 43 -8.998 2.386 3.812 1.00 0.00 N ATOM 666 CA GLU A 43 -9.280 2.603 2.384 1.00 0.00 C ATOM 667 C GLU A 43 -9.345 1.285 1.604 1.00 0.00 C ATOM 668 O GLU A 43 -10.301 1.050 0.858 1.00 0.00 O ATOM 669 CB GLU A 43 -8.217 3.549 1.777 1.00 0.00 C ATOM 670 CG GLU A 43 -8.190 4.953 2.405 1.00 0.00 C ATOM 671 CD GLU A 43 -9.519 5.717 2.254 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.795 6.214 1.142 1.00 0.00 O ATOM 673 OE2 GLU A 43 -10.295 5.818 3.235 1.00 0.00 O ATOM 0 H GLU A 43 -8.082 2.727 4.105 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.263 3.068 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.234 3.093 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.401 3.645 0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.949 4.864 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.391 5.534 1.944 1.00 0.00 H new ATOM 680 N CYS A 44 -8.337 0.416 1.809 1.00 0.00 N ATOM 681 CA CYS A 44 -8.226 -0.870 1.093 1.00 0.00 C ATOM 682 C CYS A 44 -9.180 -1.918 1.678 1.00 0.00 C ATOM 683 O CYS A 44 -9.391 -2.960 1.051 1.00 0.00 O ATOM 684 CB CYS A 44 -6.767 -1.393 1.136 1.00 0.00 C ATOM 685 SG CYS A 44 -5.548 -0.244 0.454 1.00 0.00 S ATOM 0 H CYS A 44 -7.580 0.584 2.472 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.509 -0.696 0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.502 -1.614 2.170 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.713 -2.332 0.585 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.132 0.554 1.392 1.00 0.00 H new ATOM 691 N GLN A 45 -9.738 -1.628 2.888 1.00 0.00 N ATOM 692 CA GLN A 45 -10.705 -2.501 3.590 1.00 0.00 C ATOM 693 C GLN A 45 -10.096 -3.895 3.827 1.00 0.00 C ATOM 694 O GLN A 45 -10.774 -4.925 3.728 1.00 0.00 O ATOM 695 CB GLN A 45 -12.056 -2.552 2.807 1.00 0.00 C ATOM 696 CG GLN A 45 -12.752 -1.176 2.627 1.00 0.00 C ATOM 697 CD GLN A 45 -13.412 -0.617 3.900 1.00 0.00 C ATOM 698 OE1 GLN A 45 -13.012 -0.914 5.025 1.00 0.00 O ATOM 699 NE2 GLN A 45 -14.417 0.224 3.731 1.00 0.00 N ATOM 0 H GLN A 45 -9.523 -0.773 3.402 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.925 -2.084 4.573 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.874 -2.984 1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.738 -3.224 3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.016 -0.456 2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.512 -1.267 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.734 0.458 2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.876 0.640 4.542 1.00 0.00 H new ATOM 708 N ALA A 46 -8.804 -3.888 4.196 1.00 0.00 N ATOM 709 CA ALA A 46 -7.979 -5.098 4.321 1.00 0.00 C ATOM 710 C ALA A 46 -7.083 -5.020 5.587 1.00 0.00 C ATOM 711 O ALA A 46 -6.794 -3.918 6.070 1.00 0.00 O ATOM 712 CB ALA A 46 -7.143 -5.260 3.035 1.00 0.00 C ATOM 0 H ALA A 46 -8.298 -3.030 4.418 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.615 -5.975 4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.525 -6.155 3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.809 -5.353 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.503 -4.387 2.905 1.00 0.00 H new ATOM 718 N PRO A 47 -6.663 -6.198 6.173 1.00 0.00 N ATOM 719 CA PRO A 47 -5.827 -6.243 7.397 1.00 0.00 C ATOM 720 C PRO A 47 -4.466 -5.548 7.216 1.00 0.00 C ATOM 721 O PRO A 47 -3.773 -5.808 6.238 1.00 0.00 O ATOM 722 CB PRO A 47 -5.635 -7.767 7.667 1.00 0.00 C ATOM 723 CG PRO A 47 -6.748 -8.430 6.917 1.00 0.00 C ATOM 724 CD PRO A 47 -6.970 -7.572 5.695 1.00 0.00 C ATOM 0 HA PRO A 47 -6.302 -5.712 8.222 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.662 -8.111 7.317 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.688 -7.990 8.733 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.482 -9.450 6.639 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.651 -8.490 7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.316 -7.866 4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.994 -7.650 5.331 1.00 0.00 H new ATOM 732 N LYS A 48 -4.143 -4.643 8.154 1.00 0.00 N ATOM 733 CA LYS A 48 -2.822 -3.986 8.287 1.00 0.00 C ATOM 734 C LYS A 48 -1.622 -4.932 8.061 1.00 0.00 C ATOM 735 O LYS A 48 -0.695 -4.590 7.311 1.00 0.00 O ATOM 736 CB LYS A 48 -2.713 -3.362 9.693 1.00 0.00 C ATOM 737 CG LYS A 48 -1.388 -2.628 9.947 1.00 0.00 C ATOM 738 CD LYS A 48 -1.331 -1.954 11.318 1.00 0.00 C ATOM 739 CE LYS A 48 -2.426 -0.891 11.503 1.00 0.00 C ATOM 740 NZ LYS A 48 -2.362 -0.263 12.845 1.00 0.00 N ATOM 0 H LYS A 48 -4.809 -4.336 8.863 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.771 -3.230 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.537 -2.663 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.830 -4.148 10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.564 -3.337 9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.242 -1.876 9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.431 -2.712 12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.354 -1.490 11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.320 -0.123 10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.405 -1.349 11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.116 0.448 12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.488 -0.992 13.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.437 0.196 12.970 1.00 0.00 H new ATOM 754 N ARG A 49 -1.653 -6.103 8.734 1.00 0.00 N ATOM 755 CA ARG A 49 -0.597 -7.129 8.618 1.00 0.00 C ATOM 756 C ARG A 49 -0.450 -7.605 7.173 1.00 0.00 C ATOM 757 O ARG A 49 0.666 -7.664 6.652 1.00 0.00 O ATOM 758 CB ARG A 49 -0.890 -8.343 9.536 1.00 0.00 C ATOM 759 CG ARG A 49 -0.920 -8.023 11.047 1.00 0.00 C ATOM 760 CD ARG A 49 -1.108 -9.291 11.903 1.00 0.00 C ATOM 761 NE ARG A 49 -2.328 -10.040 11.539 1.00 0.00 N ATOM 762 CZ ARG A 49 -2.665 -11.258 12.001 1.00 0.00 C ATOM 763 NH1 ARG A 49 -1.883 -11.907 12.868 1.00 0.00 N ATOM 764 NH2 ARG A 49 -3.786 -11.832 11.570 1.00 0.00 N ATOM 0 H ARG A 49 -2.408 -6.362 9.370 1.00 0.00 H new ATOM 0 HA ARG A 49 0.337 -6.666 8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.851 -8.772 9.251 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.134 -9.107 9.356 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.009 -7.528 11.331 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.730 -7.323 11.253 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.239 -9.938 11.785 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.157 -9.012 12.955 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.969 -9.596 10.882 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.015 -11.480 13.190 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.154 -12.830 13.208 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.380 -11.349 10.896 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.051 -12.755 11.914 1.00 0.00 H new ATOM 778 N GLU A 50 -1.600 -7.876 6.523 1.00 0.00 N ATOM 779 CA GLU A 50 -1.645 -8.416 5.160 1.00 0.00 C ATOM 780 C GLU A 50 -1.064 -7.384 4.174 1.00 0.00 C ATOM 781 O GLU A 50 -0.219 -7.718 3.329 1.00 0.00 O ATOM 782 CB GLU A 50 -3.113 -8.773 4.777 1.00 0.00 C ATOM 783 CG GLU A 50 -3.259 -9.720 3.566 1.00 0.00 C ATOM 784 CD GLU A 50 -2.966 -11.203 3.895 1.00 0.00 C ATOM 785 OE1 GLU A 50 -1.830 -11.535 4.296 1.00 0.00 O ATOM 786 OE2 GLU A 50 -3.888 -12.046 3.772 1.00 0.00 O ATOM 0 H GLU A 50 -2.521 -7.724 6.934 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.045 -9.325 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.596 -9.233 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.652 -7.850 4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.272 -9.638 3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.583 -9.392 2.776 1.00 0.00 H new ATOM 793 N LEU A 51 -1.519 -6.118 4.345 1.00 0.00 N ATOM 794 CA LEU A 51 -1.058 -4.963 3.558 1.00 0.00 C ATOM 795 C LEU A 51 0.462 -4.809 3.652 1.00 0.00 C ATOM 796 O LEU A 51 1.129 -4.709 2.631 1.00 0.00 O ATOM 797 CB LEU A 51 -1.736 -3.650 4.034 1.00 0.00 C ATOM 798 CG LEU A 51 -3.288 -3.590 3.934 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.817 -2.328 4.617 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.788 -3.665 2.479 1.00 0.00 C ATOM 0 H LEU A 51 -2.223 -5.875 5.042 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.337 -5.149 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.455 -3.479 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.325 -2.825 3.453 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.677 -4.468 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.904 -2.300 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.529 -2.335 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.396 -1.448 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.877 -3.619 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.383 -2.827 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.459 -4.602 2.029 1.00 0.00 H new ATOM 812 N ASN A 52 0.978 -4.831 4.903 1.00 0.00 N ATOM 813 CA ASN A 52 2.392 -4.572 5.205 1.00 0.00 C ATOM 814 C ASN A 52 3.332 -5.612 4.578 1.00 0.00 C ATOM 815 O ASN A 52 4.379 -5.236 4.025 1.00 0.00 O ATOM 816 CB ASN A 52 2.606 -4.489 6.738 1.00 0.00 C ATOM 817 CG ASN A 52 4.031 -4.049 7.074 1.00 0.00 C ATOM 818 OD1 ASN A 52 4.285 -2.752 6.987 1.00 0.00 O flip ATOM 819 ND2 ASN A 52 4.902 -4.865 7.371 1.00 0.00 N flip ATOM 0 H ASN A 52 0.416 -5.031 5.731 1.00 0.00 H new ATOM 0 HA ASN A 52 2.647 -3.612 4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.894 -3.786 7.170 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.407 -5.461 7.189 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.673 -5.857 7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.854 -4.550 7.559 1.00 0.00 H new ATOM 826 N GLN A 53 2.971 -6.913 4.657 1.00 0.00 N ATOM 827 CA GLN A 53 3.776 -7.994 4.047 1.00 0.00 C ATOM 828 C GLN A 53 3.884 -7.810 2.519 1.00 0.00 C ATOM 829 O GLN A 53 4.978 -7.908 1.949 1.00 0.00 O ATOM 830 CB GLN A 53 3.174 -9.390 4.368 1.00 0.00 C ATOM 831 CG GLN A 53 2.970 -9.690 5.874 1.00 0.00 C ATOM 832 CD GLN A 53 4.256 -9.703 6.716 1.00 0.00 C ATOM 833 OE1 GLN A 53 5.334 -10.045 6.239 1.00 0.00 O ATOM 834 NE2 GLN A 53 4.143 -9.358 7.991 1.00 0.00 N ATOM 0 H GLN A 53 2.131 -7.238 5.135 1.00 0.00 H new ATOM 0 HA GLN A 53 4.776 -7.938 4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.212 -9.478 3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.826 -10.155 3.947 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.290 -8.945 6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.480 -10.659 5.973 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.237 -9.077 8.365 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.963 -9.373 8.598 1.00 0.00 H new ATOM 843 N VAL A 54 2.736 -7.505 1.876 1.00 0.00 N ATOM 844 CA VAL A 54 2.656 -7.286 0.418 1.00 0.00 C ATOM 845 C VAL A 54 3.441 -6.018 0.012 1.00 0.00 C ATOM 846 O VAL A 54 4.110 -5.999 -1.032 1.00 0.00 O ATOM 847 CB VAL A 54 1.152 -7.181 -0.037 1.00 0.00 C ATOM 848 CG1 VAL A 54 1.011 -6.838 -1.544 1.00 0.00 C ATOM 849 CG2 VAL A 54 0.390 -8.485 0.322 1.00 0.00 C ATOM 0 H VAL A 54 1.840 -7.404 2.354 1.00 0.00 H new ATOM 0 HA VAL A 54 3.110 -8.139 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 54 0.701 -6.352 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.045 -6.777 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.490 -5.880 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.489 -7.615 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.648 -8.399 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.857 -9.330 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.426 -8.642 1.400 1.00 0.00 H new ATOM 859 N LEU A 55 3.353 -4.979 0.869 1.00 0.00 N ATOM 860 CA LEU A 55 4.078 -3.699 0.717 1.00 0.00 C ATOM 861 C LEU A 55 5.585 -3.890 0.537 1.00 0.00 C ATOM 862 O LEU A 55 6.178 -3.201 -0.288 1.00 0.00 O ATOM 863 CB LEU A 55 3.782 -2.745 1.922 1.00 0.00 C ATOM 864 CG LEU A 55 2.489 -1.879 1.793 1.00 0.00 C ATOM 865 CD1 LEU A 55 2.054 -1.308 3.153 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.700 -0.750 0.765 1.00 0.00 C ATOM 0 H LEU A 55 2.765 -5.007 1.702 1.00 0.00 H new ATOM 0 HA LEU A 55 3.707 -3.237 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.707 -3.346 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.634 -2.077 2.052 1.00 0.00 H new ATOM 0 HG LEU A 55 1.686 -2.526 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.151 -0.711 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.853 -2.127 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.850 -0.681 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.790 -0.155 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.523 -0.113 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.936 -1.183 -0.207 1.00 0.00 H new ATOM 878 N TYR A 56 6.205 -4.842 1.270 1.00 0.00 N ATOM 879 CA TYR A 56 7.648 -5.112 1.152 1.00 0.00 C ATOM 880 C TYR A 56 8.011 -5.724 -0.212 1.00 0.00 C ATOM 881 O TYR A 56 9.088 -5.421 -0.755 1.00 0.00 O ATOM 882 CB TYR A 56 8.117 -6.052 2.291 1.00 0.00 C ATOM 883 CG TYR A 56 8.332 -5.355 3.636 1.00 0.00 C ATOM 884 CD1 TYR A 56 9.340 -4.399 3.780 1.00 0.00 C ATOM 885 CD2 TYR A 56 7.579 -5.679 4.770 1.00 0.00 C ATOM 886 CE1 TYR A 56 9.581 -3.789 4.990 1.00 0.00 C ATOM 887 CE2 TYR A 56 7.827 -5.075 5.988 1.00 0.00 C ATOM 888 CZ TYR A 56 8.830 -4.135 6.094 1.00 0.00 C ATOM 889 OH TYR A 56 9.098 -3.554 7.317 1.00 0.00 O ATOM 0 H TYR A 56 5.725 -5.434 1.948 1.00 0.00 H new ATOM 0 HA TYR A 56 8.162 -4.155 1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.379 -6.844 2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.049 -6.531 1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.943 -4.133 2.924 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.791 -6.413 4.692 1.00 0.00 H new ATOM 0 HE1 TYR A 56 10.356 -3.042 5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.237 -5.338 6.854 1.00 0.00 H new ATOM 0 HH TYR A 56 8.478 -3.906 7.989 1.00 0.00 H new ATOM 899 N ARG A 57 7.112 -6.575 -0.771 1.00 0.00 N ATOM 900 CA ARG A 57 7.341 -7.195 -2.089 1.00 0.00 C ATOM 901 C ARG A 57 7.281 -6.112 -3.160 1.00 0.00 C ATOM 902 O ARG A 57 8.193 -5.988 -3.973 1.00 0.00 O ATOM 903 CB ARG A 57 6.303 -8.305 -2.409 1.00 0.00 C ATOM 904 CG ARG A 57 6.509 -8.954 -3.803 1.00 0.00 C ATOM 905 CD ARG A 57 5.430 -9.980 -4.163 1.00 0.00 C ATOM 906 NE ARG A 57 4.082 -9.399 -4.085 1.00 0.00 N ATOM 907 CZ ARG A 57 3.511 -8.593 -4.992 1.00 0.00 C ATOM 908 NH1 ARG A 57 4.133 -8.234 -6.109 1.00 0.00 N ATOM 909 NH2 ARG A 57 2.306 -8.132 -4.771 1.00 0.00 N ATOM 0 H ARG A 57 6.232 -6.841 -0.329 1.00 0.00 H new ATOM 0 HA ARG A 57 8.323 -7.668 -2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.361 -9.079 -1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.300 -7.881 -2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.523 -8.171 -4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.484 -9.440 -3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.607 -10.356 -5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.499 -10.833 -3.488 1.00 0.00 H new ATOM 0 HE ARG A 57 3.527 -9.631 -3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.076 -8.573 -6.299 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.668 -7.619 -6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.811 -8.387 -3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.862 -7.518 -5.454 1.00 0.00 H new ATOM 923 N MET A 58 6.200 -5.310 -3.113 1.00 0.00 N ATOM 924 CA MET A 58 5.973 -4.201 -4.044 1.00 0.00 C ATOM 925 C MET A 58 7.072 -3.130 -3.931 1.00 0.00 C ATOM 926 O MET A 58 7.363 -2.452 -4.905 1.00 0.00 O ATOM 927 CB MET A 58 4.586 -3.563 -3.795 1.00 0.00 C ATOM 928 CG MET A 58 3.400 -4.515 -3.969 1.00 0.00 C ATOM 929 SD MET A 58 1.818 -3.657 -3.876 1.00 0.00 S ATOM 930 CE MET A 58 1.874 -2.966 -2.232 1.00 0.00 C ATOM 0 H MET A 58 5.458 -5.419 -2.421 1.00 0.00 H new ATOM 0 HA MET A 58 6.005 -4.610 -5.054 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.564 -3.159 -2.783 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.461 -2.722 -4.477 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.481 -5.021 -4.931 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.439 -5.286 -3.199 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.935 -2.454 -2.021 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.023 -3.765 -1.506 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.698 -2.256 -2.164 1.00 0.00 H new ATOM 940 N LYS A 59 7.681 -2.998 -2.736 1.00 0.00 N ATOM 941 CA LYS A 59 8.763 -2.029 -2.484 1.00 0.00 C ATOM 942 C LYS A 59 10.039 -2.497 -3.195 1.00 0.00 C ATOM 943 O LYS A 59 10.770 -1.678 -3.766 1.00 0.00 O ATOM 944 CB LYS A 59 8.961 -1.856 -0.942 1.00 0.00 C ATOM 945 CG LYS A 59 9.690 -0.561 -0.497 1.00 0.00 C ATOM 946 CD LYS A 59 11.224 -0.665 -0.541 1.00 0.00 C ATOM 947 CE LYS A 59 11.907 0.682 -0.275 1.00 0.00 C ATOM 948 NZ LYS A 59 13.390 0.571 -0.344 1.00 0.00 N ATOM 0 H LYS A 59 7.436 -3.560 -1.920 1.00 0.00 H new ATOM 0 HA LYS A 59 8.505 -1.050 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.982 -1.882 -0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.521 -2.713 -0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.373 0.262 -1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.381 -0.312 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.558 -1.392 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.533 -1.040 -1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.563 1.415 -1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.615 1.050 0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.817 1.501 -0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.721 -0.110 0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.670 0.244 -1.291 1.00 0.00 H new ATOM 962 N LYS A 60 10.277 -3.823 -3.172 1.00 0.00 N ATOM 963 CA LYS A 60 11.371 -4.462 -3.925 1.00 0.00 C ATOM 964 C LYS A 60 11.159 -4.277 -5.446 1.00 0.00 C ATOM 965 O LYS A 60 12.110 -4.009 -6.186 1.00 0.00 O ATOM 966 CB LYS A 60 11.434 -5.973 -3.559 1.00 0.00 C ATOM 967 CG LYS A 60 12.592 -6.775 -4.215 1.00 0.00 C ATOM 968 CD LYS A 60 13.994 -6.358 -3.710 1.00 0.00 C ATOM 969 CE LYS A 60 14.191 -6.624 -2.202 1.00 0.00 C ATOM 970 NZ LYS A 60 14.176 -8.078 -1.876 1.00 0.00 N ATOM 0 H LYS A 60 9.715 -4.480 -2.630 1.00 0.00 H new ATOM 0 HA LYS A 60 12.317 -3.991 -3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.522 -6.063 -2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.489 -6.437 -3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.445 -7.837 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.549 -6.642 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.754 -6.901 -4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.146 -5.297 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.138 -6.192 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.404 -6.120 -1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.362 -8.208 -0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.245 -8.477 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.910 -8.565 -2.428 1.00 0.00 H new ATOM 984 N GLU A 61 9.884 -4.399 -5.888 1.00 0.00 N ATOM 985 CA GLU A 61 9.484 -4.231 -7.305 1.00 0.00 C ATOM 986 C GLU A 61 9.352 -2.743 -7.680 1.00 0.00 C ATOM 987 O GLU A 61 9.009 -2.432 -8.825 1.00 0.00 O ATOM 988 CB GLU A 61 8.130 -4.950 -7.583 1.00 0.00 C ATOM 989 CG GLU A 61 8.036 -6.404 -7.087 1.00 0.00 C ATOM 990 CD GLU A 61 9.149 -7.322 -7.618 1.00 0.00 C ATOM 991 OE1 GLU A 61 9.003 -7.866 -8.734 1.00 0.00 O ATOM 992 OE2 GLU A 61 10.171 -7.505 -6.923 1.00 0.00 O ATOM 0 H GLU A 61 9.103 -4.617 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 61 10.268 -4.679 -7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.331 -4.374 -7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.947 -4.939 -8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.066 -6.407 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.070 -6.815 -7.381 1.00 0.00 H new ATOM 999 N LEU A 62 9.560 -1.846 -6.679 1.00 0.00 N ATOM 1000 CA LEU A 62 9.519 -0.368 -6.832 1.00 0.00 C ATOM 1001 C LEU A 62 8.095 0.158 -7.123 1.00 0.00 C ATOM 1002 O LEU A 62 7.919 1.337 -7.424 1.00 0.00 O ATOM 1003 CB LEU A 62 10.550 0.112 -7.902 1.00 0.00 C ATOM 1004 CG LEU A 62 12.053 -0.167 -7.569 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.972 0.201 -8.759 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.480 0.571 -6.277 1.00 0.00 C ATOM 0 H LEU A 62 9.765 -2.138 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 62 9.809 0.063 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.312 -0.369 -8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.422 1.185 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 62 12.162 -1.237 -7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.009 -0.005 -8.495 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.695 -0.393 -9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.860 1.260 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.529 0.361 -6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.345 1.644 -6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.868 0.228 -5.443 1.00 0.00 H new ATOM 1018 N LYS A 63 7.081 -0.715 -6.988 1.00 0.00 N ATOM 1019 CA LYS A 63 5.655 -0.348 -7.118 1.00 0.00 C ATOM 1020 C LYS A 63 5.247 0.628 -5.998 1.00 0.00 C ATOM 1021 O LYS A 63 4.364 1.470 -6.187 1.00 0.00 O ATOM 1022 CB LYS A 63 4.768 -1.613 -7.039 1.00 0.00 C ATOM 1023 CG LYS A 63 5.047 -2.689 -8.110 1.00 0.00 C ATOM 1024 CD LYS A 63 4.254 -3.991 -7.825 1.00 0.00 C ATOM 1025 CE LYS A 63 4.513 -5.106 -8.850 1.00 0.00 C ATOM 1026 NZ LYS A 63 4.037 -4.746 -10.205 1.00 0.00 N ATOM 0 H LYS A 63 7.227 -1.704 -6.784 1.00 0.00 H new ATOM 0 HA LYS A 63 5.514 0.135 -8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.895 -2.064 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.724 -1.309 -7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.776 -2.304 -9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.114 -2.910 -8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.515 -4.355 -6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.188 -3.762 -7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.581 -5.321 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.016 -6.019 -8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.218 -5.535 -10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.016 -4.550 -10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.542 -3.900 -10.537 1.00 0.00 H new ATOM 1040 N VAL A 64 5.890 0.471 -4.818 1.00 0.00 N ATOM 1041 CA VAL A 64 5.759 1.395 -3.675 1.00 0.00 C ATOM 1042 C VAL A 64 7.165 1.771 -3.166 1.00 0.00 C ATOM 1043 O VAL A 64 8.168 1.127 -3.525 1.00 0.00 O ATOM 1044 CB VAL A 64 4.889 0.808 -2.482 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.488 0.377 -2.957 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.601 -0.352 -1.762 1.00 0.00 C ATOM 0 H VAL A 64 6.520 -0.310 -4.634 1.00 0.00 H new ATOM 0 HA VAL A 64 5.228 2.276 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 64 4.766 1.617 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.923 -0.019 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.964 1.238 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.584 -0.393 -3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.969 -0.721 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.792 -1.158 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.547 0.001 -1.350 1.00 0.00 H new ATOM 1056 N SER A 65 7.234 2.821 -2.343 1.00 0.00 N ATOM 1057 CA SER A 65 8.485 3.297 -1.742 1.00 0.00 C ATOM 1058 C SER A 65 8.197 3.784 -0.316 1.00 0.00 C ATOM 1059 O SER A 65 7.133 4.349 -0.058 1.00 0.00 O ATOM 1060 CB SER A 65 9.081 4.423 -2.613 1.00 0.00 C ATOM 1061 OG SER A 65 10.393 4.772 -2.198 1.00 0.00 O ATOM 0 H SER A 65 6.418 3.369 -2.072 1.00 0.00 H new ATOM 0 HA SER A 65 9.216 2.490 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.102 4.104 -3.655 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.438 5.301 -2.562 1.00 0.00 H new ATOM 0 HG SER A 65 10.739 5.486 -2.773 1.00 0.00 H new ATOM 1067 N LEU A 66 9.151 3.579 0.598 1.00 0.00 N ATOM 1068 CA LEU A 66 8.962 3.848 2.034 1.00 0.00 C ATOM 1069 C LEU A 66 9.505 5.252 2.372 1.00 0.00 C ATOM 1070 O LEU A 66 10.723 5.442 2.440 1.00 0.00 O ATOM 1071 CB LEU A 66 9.700 2.763 2.868 1.00 0.00 C ATOM 1072 CG LEU A 66 9.510 2.847 4.415 1.00 0.00 C ATOM 1073 CD1 LEU A 66 8.054 2.547 4.815 1.00 0.00 C ATOM 1074 CD2 LEU A 66 10.500 1.928 5.151 1.00 0.00 C ATOM 0 H LEU A 66 10.078 3.222 0.367 1.00 0.00 H new ATOM 0 HA LEU A 66 7.900 3.815 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.363 1.782 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.766 2.826 2.648 1.00 0.00 H new ATOM 0 HG LEU A 66 9.728 3.870 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.953 2.613 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.390 3.272 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.786 1.543 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.342 2.010 6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.340 0.896 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.521 2.226 4.911 1.00 0.00 H new ATOM 1086 N THR A 67 8.598 6.223 2.556 1.00 0.00 N ATOM 1087 CA THR A 67 8.952 7.645 2.763 1.00 0.00 C ATOM 1088 C THR A 67 9.285 7.952 4.242 1.00 0.00 C ATOM 1089 O THR A 67 10.287 8.620 4.542 1.00 0.00 O ATOM 1090 CB THR A 67 7.783 8.548 2.263 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.547 8.118 2.860 1.00 0.00 O ATOM 1092 CG2 THR A 67 7.645 8.508 0.730 1.00 0.00 C ATOM 0 H THR A 67 7.593 6.049 2.566 1.00 0.00 H new ATOM 0 HA THR A 67 9.852 7.858 2.186 1.00 0.00 H new ATOM 0 HB THR A 67 8.009 9.573 2.558 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.012 8.902 3.106 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.820 9.150 0.422 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.569 8.861 0.272 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.448 7.485 0.409 1.00 0.00 H new ATOM 1100 N SER A 68 8.445 7.451 5.155 1.00 0.00 N ATOM 1101 CA SER A 68 8.609 7.621 6.615 1.00 0.00 C ATOM 1102 C SER A 68 8.424 6.230 7.272 1.00 0.00 C ATOM 1103 O SER A 68 8.027 5.314 6.556 1.00 0.00 O ATOM 1104 CB SER A 68 7.568 8.663 7.135 1.00 0.00 C ATOM 1105 OG SER A 68 7.631 9.879 6.403 1.00 0.00 O ATOM 0 H SER A 68 7.619 6.908 4.904 1.00 0.00 H new ATOM 0 HA SER A 68 9.598 8.002 6.869 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.565 8.244 7.059 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.750 8.864 8.191 1.00 0.00 H new ATOM 0 HG SER A 68 6.965 10.507 6.754 1.00 0.00 H new ATOM 1111 N PRO A 69 8.737 6.033 8.616 1.00 0.00 N ATOM 1112 CA PRO A 69 8.565 4.742 9.349 1.00 0.00 C ATOM 1113 C PRO A 69 7.419 3.828 8.825 1.00 0.00 C ATOM 1114 O PRO A 69 7.694 2.900 8.071 1.00 0.00 O ATOM 1115 CB PRO A 69 8.333 5.231 10.793 1.00 0.00 C ATOM 1116 CG PRO A 69 9.273 6.397 10.923 1.00 0.00 C ATOM 1117 CD PRO A 69 9.343 7.043 9.538 1.00 0.00 C ATOM 0 HA PRO A 69 9.423 4.081 9.227 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.297 5.530 10.954 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.557 4.452 11.522 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.912 7.108 11.666 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.259 6.068 11.250 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.793 7.984 9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.372 7.268 9.258 1.00 0.00 H new ATOM 1125 N ALA A 70 6.149 4.117 9.166 1.00 0.00 N ATOM 1126 CA ALA A 70 4.985 3.333 8.677 1.00 0.00 C ATOM 1127 C ALA A 70 4.269 4.032 7.499 1.00 0.00 C ATOM 1128 O ALA A 70 3.117 3.711 7.197 1.00 0.00 O ATOM 1129 CB ALA A 70 4.009 3.064 9.840 1.00 0.00 C ATOM 0 H ALA A 70 5.896 4.890 9.781 1.00 0.00 H new ATOM 0 HA ALA A 70 5.355 2.381 8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.158 2.489 9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.520 2.500 10.621 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.658 4.012 10.247 1.00 0.00 H new ATOM 1135 N THR A 71 4.959 4.966 6.823 1.00 0.00 N ATOM 1136 CA THR A 71 4.379 5.711 5.685 1.00 0.00 C ATOM 1137 C THR A 71 5.013 5.235 4.374 1.00 0.00 C ATOM 1138 O THR A 71 6.240 5.258 4.211 1.00 0.00 O ATOM 1139 CB THR A 71 4.561 7.252 5.817 1.00 0.00 C ATOM 1140 OG1 THR A 71 4.134 7.680 7.113 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.767 8.033 4.749 1.00 0.00 C ATOM 0 H THR A 71 5.921 5.226 7.043 1.00 0.00 H new ATOM 0 HA THR A 71 3.308 5.508 5.687 1.00 0.00 H new ATOM 0 HB THR A 71 5.620 7.462 5.670 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.252 8.650 7.193 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.928 9.102 4.885 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.106 7.739 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.705 7.810 4.850 1.00 0.00 H new ATOM 1149 N TRP A 72 4.152 4.837 3.440 1.00 0.00 N ATOM 1150 CA TRP A 72 4.539 4.336 2.117 1.00 0.00 C ATOM 1151 C TRP A 72 3.996 5.311 1.064 1.00 0.00 C ATOM 1152 O TRP A 72 3.186 6.182 1.386 1.00 0.00 O ATOM 1153 CB TRP A 72 3.953 2.913 1.894 1.00 0.00 C ATOM 1154 CG TRP A 72 4.309 1.917 2.979 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.712 1.792 4.208 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.330 0.903 2.933 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.298 0.780 4.918 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.289 0.214 4.163 1.00 0.00 C ATOM 1159 CE3 TRP A 72 6.270 0.512 1.973 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.152 -0.840 4.460 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 7.125 -0.536 2.268 1.00 0.00 C ATOM 1162 CH2 TRP A 72 7.061 -1.201 3.500 1.00 0.00 C ATOM 0 H TRP A 72 3.142 4.853 3.582 1.00 0.00 H new ATOM 0 HA TRP A 72 5.624 4.268 2.038 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.868 2.986 1.826 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.308 2.532 0.936 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.897 2.404 4.564 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.037 0.493 5.861 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.327 1.018 1.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.106 -1.352 5.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.855 -0.847 1.535 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.743 -2.015 3.697 1.00 0.00 H new ATOM 1173 N CYS A 73 4.435 5.172 -0.183 1.00 0.00 N ATOM 1174 CA CYS A 73 3.939 6.001 -1.292 1.00 0.00 C ATOM 1175 C CYS A 73 3.979 5.208 -2.585 1.00 0.00 C ATOM 1176 O CYS A 73 4.621 4.163 -2.650 1.00 0.00 O ATOM 1177 CB CYS A 73 4.765 7.291 -1.432 1.00 0.00 C ATOM 1178 SG CYS A 73 4.066 8.474 -2.605 1.00 0.00 S ATOM 0 H CYS A 73 5.140 4.488 -0.459 1.00 0.00 H new ATOM 0 HA CYS A 73 2.909 6.284 -1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.848 7.767 -0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.776 7.033 -1.748 1.00 0.00 H new ATOM 0 HG CYS A 73 4.822 9.530 -2.659 1.00 0.00 H new ATOM 1184 N LEU A 74 3.268 5.705 -3.607 1.00 0.00 N ATOM 1185 CA LEU A 74 3.274 5.105 -4.946 1.00 0.00 C ATOM 1186 C LEU A 74 4.673 5.244 -5.571 1.00 0.00 C ATOM 1187 O LEU A 74 5.343 6.262 -5.365 1.00 0.00 O ATOM 1188 CB LEU A 74 2.216 5.797 -5.846 1.00 0.00 C ATOM 1189 CG LEU A 74 2.012 5.175 -7.262 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.408 3.751 -7.187 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.174 6.110 -8.156 1.00 0.00 C ATOM 0 H LEU A 74 2.675 6.531 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 74 3.024 4.047 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.259 5.784 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.499 6.843 -5.967 1.00 0.00 H new ATOM 0 HG LEU A 74 2.994 5.070 -7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.283 3.355 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.077 3.101 -6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.439 3.793 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.045 5.655 -9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.197 6.271 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.686 7.066 -8.263 1.00 0.00 H new ATOM 1203 N GLY A 75 5.091 4.219 -6.333 1.00 0.00 N ATOM 1204 CA GLY A 75 6.387 4.216 -7.018 1.00 0.00 C ATOM 1205 C GLY A 75 6.471 5.234 -8.154 1.00 0.00 C ATOM 1206 O GLY A 75 7.568 5.576 -8.610 1.00 0.00 O ATOM 0 H GLY A 75 4.540 3.375 -6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.174 4.425 -6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.577 3.220 -7.417 1.00 0.00 H new