USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 710 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 38 LYS NZ :NH3+ -110:sc= -8.57! (180deg=-12.4!) USER MOD Set 1.2: A 106 CYS SG : rot -139:sc= -23.7! USER MOD Set 2.1: A 53 CYS SG : rot 87:sc= -7.93! USER MOD Set 2.2: A 62 HIS : no HD1:sc= -7.19! C(o=-15!,f=-22!) USER MOD Set 3.1: A 36 ASN : amide:sc= -6.82! C(o=-11!,f=-12!) USER MOD Set 3.2: A 56 HIS : no HD1:sc= -4.05 K(o=-11,f=-16!) USER MOD Set 4.1: A 17 HIS : no HE2:sc= -12.8! C(o=-13!,f=-15!) USER MOD Set 4.2: A 25 SER OG : rot -99:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.038) USER MOD Single : A 33 SER OG : rot -109:sc= -4.87! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.204 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0567) USER MOD Single : A 63 TYR OH : rot 119:sc= 0.473 USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00542) USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0585) USER MOD Single : A 70 THR OG1 : rot 71:sc= 0.012 USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= -0.0915 (180deg=-0.542) USER MOD Single : A 74 SER OG : rot -10:sc= 0.934 USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= -0.0364 (180deg=-0.318) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.34 F(o=-0.85,f=-0.34) USER MOD Single : A 90 HIS :FLIP no HE2:sc= -1.02 F(o=-1.8,f=-1) USER MOD Single : A 91 TYR OH : rot 70:sc= -0.354 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -1.19! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 45:sc= 0.00369 USER MOD Single : A 107 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.4) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 2.561 -7.352 -2.958 1.00 0.00 N ATOM 210 CA TRP A 15 2.660 -5.930 -2.637 1.00 0.00 C ATOM 211 C TRP A 15 1.748 -5.556 -1.464 1.00 0.00 C ATOM 212 O TRP A 15 1.256 -4.439 -1.365 1.00 0.00 O ATOM 213 CB TRP A 15 2.315 -5.083 -3.872 1.00 0.00 C ATOM 214 CG TRP A 15 1.029 -5.558 -4.535 1.00 0.00 C ATOM 215 CD1 TRP A 15 0.109 -6.449 -3.990 1.00 0.00 C ATOM 216 CD2 TRP A 15 0.529 -5.173 -5.819 1.00 0.00 C ATOM 217 NE1 TRP A 15 -0.927 -6.631 -4.861 1.00 0.00 N ATOM 218 CE2 TRP A 15 -0.710 -5.862 -6.007 1.00 0.00 C ATOM 219 CE3 TRP A 15 1.014 -4.323 -6.803 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -1.443 -5.689 -7.174 1.00 0.00 C ATOM 221 CZ3 TRP A 15 0.275 -4.139 -7.998 1.00 0.00 C ATOM 222 CH2 TRP A 15 -0.955 -4.823 -8.184 1.00 0.00 C ATOM 0 HA TRP A 15 3.688 -5.724 -2.338 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.210 -4.038 -3.580 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.135 -5.133 -4.589 1.00 0.00 H new ATOM 0 HD1 TRP A 15 0.201 -6.924 -3.025 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.733 -7.234 -4.700 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.950 -3.804 -6.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -2.379 -6.211 -7.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.647 -3.479 -8.767 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.518 -4.683 -9.095 1.00 0.00 H new ATOM 233 N PHE A 16 1.559 -6.555 -0.588 1.00 0.00 N ATOM 234 CA PHE A 16 0.761 -6.325 0.574 1.00 0.00 C ATOM 235 C PHE A 16 1.733 -6.249 1.755 1.00 0.00 C ATOM 236 O PHE A 16 2.858 -5.787 1.633 1.00 0.00 O ATOM 237 CB PHE A 16 -0.231 -7.491 0.710 1.00 0.00 C ATOM 238 CG PHE A 16 -1.365 -7.182 1.643 1.00 0.00 C ATOM 239 CD1 PHE A 16 -2.204 -6.064 1.423 1.00 0.00 C ATOM 240 CD2 PHE A 16 -1.603 -8.014 2.763 1.00 0.00 C ATOM 241 CE1 PHE A 16 -3.263 -5.782 2.316 1.00 0.00 C ATOM 242 CE2 PHE A 16 -2.658 -7.733 3.655 1.00 0.00 C ATOM 243 CZ PHE A 16 -3.490 -6.617 3.432 1.00 0.00 C ATOM 0 H PHE A 16 1.945 -7.495 -0.677 1.00 0.00 H new ATOM 0 HA PHE A 16 0.181 -5.404 0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.632 -7.738 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.299 -8.373 1.069 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.035 -5.424 0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.971 -8.872 2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.900 -4.927 2.144 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.829 -8.372 4.509 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.300 -6.401 4.113 1.00 0.00 H new ATOM 253 N HIS A 17 1.228 -6.756 2.870 1.00 0.00 N ATOM 254 CA HIS A 17 2.034 -6.775 4.094 1.00 0.00 C ATOM 255 C HIS A 17 1.830 -8.069 4.886 1.00 0.00 C ATOM 256 O HIS A 17 2.581 -8.389 5.796 1.00 0.00 O ATOM 257 CB HIS A 17 1.636 -5.622 4.973 1.00 0.00 C ATOM 258 CG HIS A 17 2.638 -4.514 4.846 1.00 0.00 C ATOM 259 ND1 HIS A 17 3.336 -3.981 5.869 1.00 0.00 N ATOM 260 CD2 HIS A 17 2.984 -3.845 3.676 1.00 0.00 C ATOM 261 CE1 HIS A 17 4.090 -3.005 5.336 1.00 0.00 C ATOM 262 NE2 HIS A 17 3.895 -2.905 4.011 1.00 0.00 N ATOM 0 H HIS A 17 0.292 -7.151 2.959 1.00 0.00 H new ATOM 0 HA HIS A 17 3.081 -6.703 3.799 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.646 -5.263 4.691 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.572 -5.949 6.011 1.00 0.00 H new ATOM 0 HD1 HIS A 17 3.299 -4.262 6.849 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.597 -4.040 2.687 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.766 -2.381 5.901 1.00 0.00 H new ATOM 353 N GLU A 23 9.329 -2.253 7.734 1.00 0.00 N ATOM 354 CA GLU A 23 10.587 -1.950 7.121 1.00 0.00 C ATOM 355 C GLU A 23 10.833 -2.967 6.023 1.00 0.00 C ATOM 356 O GLU A 23 11.247 -2.663 4.917 1.00 0.00 O ATOM 357 CB GLU A 23 11.648 -2.065 8.208 1.00 0.00 C ATOM 358 CG GLU A 23 12.257 -3.462 8.308 1.00 0.00 C ATOM 359 CD GLU A 23 13.412 -3.457 9.310 1.00 0.00 C ATOM 360 OE1 GLU A 23 13.148 -3.498 10.511 1.00 0.00 O ATOM 361 OE2 GLU A 23 14.563 -3.413 8.879 1.00 0.00 O ATOM 0 HA GLU A 23 10.608 -0.951 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.441 -1.343 8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.206 -1.799 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.497 -4.178 8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.615 -3.783 7.330 1.00 0.00 H new ATOM 368 N GLU A 24 10.533 -4.199 6.440 1.00 0.00 N ATOM 369 CA GLU A 24 10.703 -5.313 5.541 1.00 0.00 C ATOM 370 C GLU A 24 10.217 -4.944 4.134 1.00 0.00 C ATOM 371 O GLU A 24 10.855 -5.244 3.133 1.00 0.00 O ATOM 372 CB GLU A 24 9.919 -6.493 6.093 1.00 0.00 C ATOM 373 CG GLU A 24 10.359 -6.827 7.519 1.00 0.00 C ATOM 374 CD GLU A 24 11.598 -7.725 7.484 1.00 0.00 C ATOM 375 OE1 GLU A 24 12.270 -7.757 6.454 1.00 0.00 O ATOM 376 OE2 GLU A 24 11.875 -8.382 8.485 1.00 0.00 O ATOM 0 H GLU A 24 10.182 -4.434 7.368 1.00 0.00 H new ATOM 0 HA GLU A 24 11.758 -5.576 5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.854 -6.263 6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.064 -7.362 5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.579 -5.910 8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.550 -7.329 8.051 1.00 0.00 H new ATOM 383 N SER A 25 9.066 -4.248 4.134 1.00 0.00 N ATOM 384 CA SER A 25 8.469 -3.874 2.858 1.00 0.00 C ATOM 385 C SER A 25 9.183 -2.680 2.214 1.00 0.00 C ATOM 386 O SER A 25 9.263 -2.569 0.996 1.00 0.00 O ATOM 387 CB SER A 25 6.996 -3.547 3.084 1.00 0.00 C ATOM 388 OG SER A 25 6.859 -2.352 3.810 1.00 0.00 O ATOM 0 H SER A 25 8.557 -3.949 4.966 1.00 0.00 H new ATOM 0 HA SER A 25 8.572 -4.713 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.487 -3.456 2.124 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.516 -4.363 3.623 1.00 0.00 H new ATOM 0 HG SER A 25 6.697 -2.559 4.754 1.00 0.00 H new ATOM 394 N GLU A 26 9.694 -1.798 3.091 1.00 0.00 N ATOM 395 CA GLU A 26 10.360 -0.622 2.579 1.00 0.00 C ATOM 396 C GLU A 26 11.820 -0.926 2.197 1.00 0.00 C ATOM 397 O GLU A 26 12.465 -0.169 1.479 1.00 0.00 O ATOM 398 CB GLU A 26 10.267 0.453 3.652 1.00 0.00 C ATOM 399 CG GLU A 26 11.569 1.221 3.804 1.00 0.00 C ATOM 400 CD GLU A 26 11.375 2.403 4.756 1.00 0.00 C ATOM 401 OE1 GLU A 26 10.338 2.463 5.414 1.00 0.00 O ATOM 402 OE2 GLU A 26 12.264 3.250 4.828 1.00 0.00 O ATOM 0 H GLU A 26 9.656 -1.882 4.107 1.00 0.00 H new ATOM 0 HA GLU A 26 9.879 -0.278 1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.464 1.147 3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.005 -0.007 4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.347 0.560 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.905 1.579 2.831 1.00 0.00 H new ATOM 409 N GLN A 27 12.287 -2.084 2.693 1.00 0.00 N ATOM 410 CA GLN A 27 13.650 -2.462 2.368 1.00 0.00 C ATOM 411 C GLN A 27 13.602 -3.191 1.034 1.00 0.00 C ATOM 412 O GLN A 27 14.570 -3.270 0.295 1.00 0.00 O ATOM 413 CB GLN A 27 14.257 -3.331 3.472 1.00 0.00 C ATOM 414 CG GLN A 27 13.746 -4.771 3.441 1.00 0.00 C ATOM 415 CD GLN A 27 14.929 -5.741 3.404 1.00 0.00 C ATOM 416 OE1 GLN A 27 15.022 -6.617 2.553 1.00 0.00 O ATOM 417 NE2 GLN A 27 15.820 -5.520 4.387 1.00 0.00 N ATOM 0 H GLN A 27 11.769 -2.733 3.285 1.00 0.00 H new ATOM 0 HA GLN A 27 14.291 -1.584 2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.342 -3.333 3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 27 14.028 -2.890 4.442 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.131 -4.967 4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.112 -4.923 2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.665 -4.766 5.056 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.651 -6.106 4.463 1.00 0.00 H new ATOM 426 N ILE A 28 12.389 -3.713 0.783 1.00 0.00 N ATOM 427 CA ILE A 28 12.167 -4.378 -0.446 1.00 0.00 C ATOM 428 C ILE A 28 12.156 -3.338 -1.551 1.00 0.00 C ATOM 429 O ILE A 28 12.708 -3.516 -2.630 1.00 0.00 O ATOM 430 CB ILE A 28 10.823 -5.060 -0.325 1.00 0.00 C ATOM 431 CG1 ILE A 28 10.922 -6.313 0.527 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.259 -5.407 -1.689 1.00 0.00 C ATOM 433 CD1 ILE A 28 9.546 -6.708 1.056 1.00 0.00 C ATOM 0 H ILE A 28 11.589 -3.674 1.414 1.00 0.00 H new ATOM 0 HA ILE A 28 12.938 -5.113 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 28 10.146 -4.358 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.340 -7.129 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.603 -6.141 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.292 -5.896 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.135 -4.496 -2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.944 -6.079 -2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.635 -7.608 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.143 -5.897 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.876 -6.901 0.218 1.00 0.00 H new ATOM 445 N VAL A 29 11.464 -2.249 -1.204 1.00 0.00 N ATOM 446 CA VAL A 29 11.396 -1.157 -2.141 1.00 0.00 C ATOM 447 C VAL A 29 12.799 -0.631 -2.402 1.00 0.00 C ATOM 448 O VAL A 29 13.098 -0.068 -3.445 1.00 0.00 O ATOM 449 CB VAL A 29 10.518 -0.060 -1.532 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.025 1.317 -1.940 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.044 -0.229 -1.919 1.00 0.00 C ATOM 0 H VAL A 29 10.970 -2.114 -0.322 1.00 0.00 H new ATOM 0 HA VAL A 29 10.968 -1.486 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 29 10.583 -0.152 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.389 2.084 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.048 1.447 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.001 1.407 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.455 0.569 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.945 -0.183 -3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.682 -1.193 -1.562 1.00 0.00 H new ATOM 461 N LEU A 30 13.629 -0.836 -1.384 1.00 0.00 N ATOM 462 CA LEU A 30 14.976 -0.417 -1.512 1.00 0.00 C ATOM 463 C LEU A 30 15.608 -1.195 -2.666 1.00 0.00 C ATOM 464 O LEU A 30 16.434 -0.696 -3.421 1.00 0.00 O ATOM 465 CB LEU A 30 15.632 -0.739 -0.175 1.00 0.00 C ATOM 466 CG LEU A 30 16.622 -1.889 -0.265 1.00 0.00 C ATOM 467 CD1 LEU A 30 17.956 -1.412 -0.812 1.00 0.00 C ATOM 468 CD2 LEU A 30 16.811 -2.535 1.090 1.00 0.00 C ATOM 0 H LEU A 30 13.382 -1.277 -0.498 1.00 0.00 H new ATOM 0 HA LEU A 30 15.088 0.644 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.146 0.148 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.860 -0.987 0.553 1.00 0.00 H new ATOM 0 HG LEU A 30 16.216 -2.632 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.648 -2.252 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.812 -0.994 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.367 -0.647 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.523 -3.356 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.191 -1.796 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.855 -2.919 1.447 1.00 0.00 H new ATOM 480 N ILE A 31 15.143 -2.461 -2.735 1.00 0.00 N ATOM 481 CA ILE A 31 15.643 -3.335 -3.753 1.00 0.00 C ATOM 482 C ILE A 31 15.167 -2.874 -5.105 1.00 0.00 C ATOM 483 O ILE A 31 15.916 -2.411 -5.957 1.00 0.00 O ATOM 484 CB ILE A 31 15.113 -4.754 -3.561 1.00 0.00 C ATOM 485 CG1 ILE A 31 14.698 -5.070 -2.138 1.00 0.00 C ATOM 486 CG2 ILE A 31 16.132 -5.737 -4.041 1.00 0.00 C ATOM 487 CD1 ILE A 31 15.785 -5.824 -1.371 1.00 0.00 C ATOM 0 H ILE A 31 14.446 -2.866 -2.110 1.00 0.00 H new ATOM 0 HA ILE A 31 16.731 -3.321 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 31 14.202 -4.830 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.465 -4.142 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.786 -5.666 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.753 -6.750 -3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.334 -5.565 -5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.053 -5.614 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.440 -6.027 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.001 -6.765 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 31 16.690 -5.218 -1.332 1.00 0.00 H new ATOM 499 N GLY A 32 13.847 -3.053 -5.221 1.00 0.00 N ATOM 500 CA GLY A 32 13.222 -2.751 -6.482 1.00 0.00 C ATOM 501 C GLY A 32 12.524 -1.397 -6.480 1.00 0.00 C ATOM 502 O GLY A 32 12.284 -0.805 -5.442 1.00 0.00 O ATOM 0 H GLY A 32 13.227 -3.391 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.975 -2.766 -7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.497 -3.529 -6.720 1.00 0.00 H new ATOM 506 N SER A 33 12.230 -0.981 -7.736 1.00 0.00 N ATOM 507 CA SER A 33 11.563 0.299 -7.973 1.00 0.00 C ATOM 508 C SER A 33 12.391 1.090 -8.988 1.00 0.00 C ATOM 509 O SER A 33 12.538 0.684 -10.134 1.00 0.00 O ATOM 510 CB SER A 33 11.362 1.080 -6.672 1.00 0.00 C ATOM 511 OG SER A 33 12.597 1.363 -6.064 1.00 0.00 O ATOM 0 H SER A 33 12.445 -1.511 -8.580 1.00 0.00 H new ATOM 0 HA SER A 33 10.565 0.124 -8.375 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.832 2.010 -6.879 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.739 0.503 -5.989 1.00 0.00 H new ATOM 0 HG SER A 33 12.698 0.814 -5.258 1.00 0.00 H new ATOM 517 N LYS A 34 12.921 2.232 -8.505 1.00 0.00 N ATOM 518 CA LYS A 34 13.729 3.044 -9.401 1.00 0.00 C ATOM 519 C LYS A 34 12.824 3.890 -10.278 1.00 0.00 C ATOM 520 O LYS A 34 12.848 5.114 -10.270 1.00 0.00 O ATOM 521 CB LYS A 34 14.558 2.124 -10.292 1.00 0.00 C ATOM 522 CG LYS A 34 15.883 2.762 -10.687 1.00 0.00 C ATOM 523 CD LYS A 34 16.985 2.452 -9.673 1.00 0.00 C ATOM 524 CE LYS A 34 18.352 2.932 -10.164 1.00 0.00 C ATOM 525 NZ LYS A 34 19.430 2.555 -9.259 1.00 0.00 N ATOM 0 H LYS A 34 12.808 2.588 -7.556 1.00 0.00 H new ATOM 0 HA LYS A 34 14.382 3.692 -8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.748 1.186 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.990 1.880 -11.190 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.182 2.401 -11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.757 3.842 -10.769 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.751 2.930 -8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.020 1.378 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.548 2.515 -11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.336 4.016 -10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.336 2.902 -9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.260 2.974 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.465 1.519 -9.173 1.00 0.00 H new ATOM 539 N THR A 35 12.029 3.124 -11.033 1.00 0.00 N ATOM 540 CA THR A 35 11.103 3.735 -11.964 1.00 0.00 C ATOM 541 C THR A 35 10.055 4.610 -11.266 1.00 0.00 C ATOM 542 O THR A 35 9.160 5.168 -11.888 1.00 0.00 O ATOM 543 CB THR A 35 10.421 2.614 -12.729 1.00 0.00 C ATOM 544 OG1 THR A 35 11.088 1.395 -12.494 1.00 0.00 O ATOM 545 CG2 THR A 35 10.399 2.893 -14.219 1.00 0.00 C ATOM 0 H THR A 35 12.014 2.104 -11.013 1.00 0.00 H new ATOM 0 HA THR A 35 11.656 4.396 -12.631 1.00 0.00 H new ATOM 0 HB THR A 35 9.392 2.549 -12.375 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.641 0.677 -12.989 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.904 2.071 -14.736 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.857 3.819 -14.408 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.421 2.990 -14.586 1.00 0.00 H new ATOM 553 N ASN A 36 10.231 4.685 -9.951 1.00 0.00 N ATOM 554 CA ASN A 36 9.315 5.485 -9.159 1.00 0.00 C ATOM 555 C ASN A 36 7.878 5.052 -9.436 1.00 0.00 C ATOM 556 O ASN A 36 6.976 5.864 -9.603 1.00 0.00 O ATOM 557 CB ASN A 36 9.506 6.959 -9.504 1.00 0.00 C ATOM 558 CG ASN A 36 8.438 7.802 -8.806 1.00 0.00 C ATOM 559 OD1 ASN A 36 7.696 7.331 -7.953 1.00 0.00 O ATOM 560 ND2 ASN A 36 8.414 9.077 -9.233 1.00 0.00 N ATOM 0 H ASN A 36 10.973 4.218 -9.429 1.00 0.00 H new ATOM 0 HA ASN A 36 9.521 5.339 -8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.499 7.287 -9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.444 7.099 -10.583 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.740 9.734 -8.840 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.070 9.387 -9.950 1.00 0.00 H new ATOM 567 N GLY A 37 7.731 3.718 -9.477 1.00 0.00 N ATOM 568 CA GLY A 37 6.409 3.178 -9.721 1.00 0.00 C ATOM 569 C GLY A 37 6.126 1.935 -8.871 1.00 0.00 C ATOM 570 O GLY A 37 5.060 1.345 -8.953 1.00 0.00 O ATOM 0 H GLY A 37 8.477 3.034 -9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.661 3.941 -9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.311 2.924 -10.777 1.00 0.00 H new ATOM 574 N LYS A 38 7.128 1.571 -8.043 1.00 0.00 N ATOM 575 CA LYS A 38 6.904 0.401 -7.225 1.00 0.00 C ATOM 576 C LYS A 38 6.218 0.831 -5.947 1.00 0.00 C ATOM 577 O LYS A 38 6.365 1.952 -5.476 1.00 0.00 O ATOM 578 CB LYS A 38 8.203 -0.323 -6.921 1.00 0.00 C ATOM 579 CG LYS A 38 7.920 -1.754 -6.465 1.00 0.00 C ATOM 580 CD LYS A 38 9.198 -2.573 -6.326 1.00 0.00 C ATOM 581 CE LYS A 38 9.904 -2.289 -5.003 1.00 0.00 C ATOM 582 NZ LYS A 38 11.050 -3.165 -4.790 1.00 0.00 N ATOM 0 H LYS A 38 8.028 2.040 -7.937 1.00 0.00 H new ATOM 0 HA LYS A 38 6.271 -0.300 -7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.836 -0.336 -7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.752 0.211 -6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.397 -1.733 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.256 -2.238 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.960 -3.635 -6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.869 -2.345 -7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.235 -1.251 -4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.197 -2.412 -4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.837 -3.835 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.251 -3.692 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.880 -2.594 -4.531 1.00 0.00 H new ATOM 596 N PHE A 39 5.457 -0.132 -5.422 1.00 0.00 N ATOM 597 CA PHE A 39 4.730 0.187 -4.206 1.00 0.00 C ATOM 598 C PHE A 39 4.276 -1.076 -3.475 1.00 0.00 C ATOM 599 O PHE A 39 4.529 -2.200 -3.882 1.00 0.00 O ATOM 600 CB PHE A 39 3.517 1.043 -4.573 1.00 0.00 C ATOM 601 CG PHE A 39 2.431 0.208 -5.197 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.544 -0.234 -6.538 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.293 -0.159 -4.439 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.530 -1.033 -7.113 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.280 -0.958 -5.014 1.00 0.00 C ATOM 606 CZ PHE A 39 0.398 -1.394 -6.350 1.00 0.00 C ATOM 0 H PHE A 39 5.335 -1.074 -5.792 1.00 0.00 H new ATOM 0 HA PHE A 39 5.392 0.733 -3.534 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.133 1.536 -3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.819 1.829 -5.266 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.409 0.041 -7.124 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.199 0.174 -3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.621 -1.367 -8.136 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.585 -1.235 -4.430 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.377 -2.004 -6.790 1.00 0.00 H new ATOM 616 N LEU A 40 3.570 -0.782 -2.367 1.00 0.00 N ATOM 617 CA LEU A 40 3.023 -1.856 -1.567 1.00 0.00 C ATOM 618 C LEU A 40 2.185 -1.249 -0.436 1.00 0.00 C ATOM 619 O LEU A 40 2.553 -0.252 0.171 1.00 0.00 O ATOM 620 CB LEU A 40 4.171 -2.683 -1.020 1.00 0.00 C ATOM 621 CG LEU A 40 4.921 -1.920 0.069 1.00 0.00 C ATOM 622 CD1 LEU A 40 4.320 -2.198 1.436 1.00 0.00 C ATOM 623 CD2 LEU A 40 6.396 -2.298 0.065 1.00 0.00 C ATOM 0 H LEU A 40 3.378 0.160 -2.027 1.00 0.00 H new ATOM 0 HA LEU A 40 2.380 -2.504 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.789 -3.620 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.857 -2.940 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 40 4.827 -0.855 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.871 -1.643 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.276 -1.885 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.381 -3.265 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.915 -1.745 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.498 -3.368 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.832 -2.052 -0.903 1.00 0.00 H new ATOM 635 N ILE A 41 1.040 -1.916 -0.195 1.00 0.00 N ATOM 636 CA ILE A 41 0.154 -1.427 0.856 1.00 0.00 C ATOM 637 C ILE A 41 0.359 -2.246 2.124 1.00 0.00 C ATOM 638 O ILE A 41 0.666 -3.429 2.084 1.00 0.00 O ATOM 639 CB ILE A 41 -1.288 -1.559 0.391 1.00 0.00 C ATOM 640 CG1 ILE A 41 -2.271 -1.086 1.472 1.00 0.00 C ATOM 641 CG2 ILE A 41 -1.571 -3.017 0.049 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.874 0.255 2.093 1.00 0.00 C ATOM 0 H ILE A 41 0.725 -2.751 -0.689 1.00 0.00 H new ATOM 0 HA ILE A 41 0.379 -0.382 1.067 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.425 -0.930 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.267 -0.999 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.331 -1.840 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.604 -3.119 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.899 -3.341 -0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.413 -3.635 0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.606 0.537 2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.891 0.165 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.841 1.020 1.317 1.00 0.00 H new ATOM 654 N ARG A 42 0.143 -1.540 3.248 1.00 0.00 N ATOM 655 CA ARG A 42 0.307 -2.211 4.525 1.00 0.00 C ATOM 656 C ARG A 42 -1.023 -2.265 5.269 1.00 0.00 C ATOM 657 O ARG A 42 -1.847 -1.360 5.201 1.00 0.00 O ATOM 658 CB ARG A 42 1.362 -1.483 5.355 1.00 0.00 C ATOM 659 CG ARG A 42 0.872 -0.111 5.819 1.00 0.00 C ATOM 660 CD ARG A 42 1.646 0.375 7.044 1.00 0.00 C ATOM 661 NE ARG A 42 3.073 0.191 6.846 1.00 0.00 N ATOM 662 CZ ARG A 42 3.763 1.142 6.188 1.00 0.00 C ATOM 663 NH1 ARG A 42 3.139 2.225 5.732 1.00 0.00 N ATOM 664 NH2 ARG A 42 5.071 0.998 5.994 1.00 0.00 N ATOM 0 H ARG A 42 -0.131 -0.558 3.291 1.00 0.00 H new ATOM 0 HA ARG A 42 0.640 -3.234 4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.623 -2.088 6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.270 -1.364 4.765 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.982 0.609 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.191 -0.164 6.056 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.430 1.428 7.224 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.321 -0.173 7.928 1.00 0.00 H new ATOM 0 HE ARG A 42 3.543 -0.643 7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.136 2.336 5.881 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.664 2.944 5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.550 0.168 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.595 1.717 5.496 1.00 0.00 H new ATOM 678 N ALA A 43 -1.162 -3.397 5.987 1.00 0.00 N ATOM 679 CA ALA A 43 -2.379 -3.603 6.752 1.00 0.00 C ATOM 680 C ALA A 43 -2.121 -4.648 7.838 1.00 0.00 C ATOM 681 O ALA A 43 -2.831 -5.639 7.961 1.00 0.00 O ATOM 682 CB ALA A 43 -3.490 -4.074 5.817 1.00 0.00 C ATOM 0 H ALA A 43 -0.472 -4.146 6.046 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.685 -2.669 7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.405 -4.230 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.665 -3.319 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.194 -5.010 5.343 1.00 0.00 H new ATOM 770 N TYR A 50 -3.931 1.862 7.837 1.00 0.00 N ATOM 771 CA TYR A 50 -3.351 1.313 6.617 1.00 0.00 C ATOM 772 C TYR A 50 -2.583 2.430 5.912 1.00 0.00 C ATOM 773 O TYR A 50 -2.841 3.609 6.121 1.00 0.00 O ATOM 774 CB TYR A 50 -4.454 0.761 5.704 1.00 0.00 C ATOM 775 CG TYR A 50 -5.418 -0.117 6.455 1.00 0.00 C ATOM 776 CD1 TYR A 50 -5.133 -1.489 6.652 1.00 0.00 C ATOM 777 CD2 TYR A 50 -6.621 0.423 6.973 1.00 0.00 C ATOM 778 CE1 TYR A 50 -6.040 -2.312 7.359 1.00 0.00 C ATOM 779 CE2 TYR A 50 -7.528 -0.400 7.680 1.00 0.00 C ATOM 780 CZ TYR A 50 -7.237 -1.767 7.873 1.00 0.00 C ATOM 781 OH TYR A 50 -8.120 -2.569 8.565 1.00 0.00 O ATOM 0 HA TYR A 50 -2.677 0.491 6.858 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.997 1.589 5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.002 0.192 4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.219 -1.910 6.261 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.847 1.469 6.827 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.817 -3.358 7.506 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -8.443 0.018 8.072 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.891 -2.036 8.850 1.00 0.00 H new ATOM 791 N ALA A 51 -1.626 1.997 5.068 1.00 0.00 N ATOM 792 CA ALA A 51 -0.851 3.008 4.366 1.00 0.00 C ATOM 793 C ALA A 51 -0.180 2.427 3.120 1.00 0.00 C ATOM 794 O ALA A 51 0.281 1.293 3.092 1.00 0.00 O ATOM 795 CB ALA A 51 0.196 3.587 5.315 1.00 0.00 C ATOM 0 H ALA A 51 -1.390 1.024 4.872 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.524 3.800 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.780 4.346 4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.301 4.038 6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.858 2.791 5.656 1.00 0.00 H new ATOM 801 N LEU A 52 -0.156 3.307 2.099 1.00 0.00 N ATOM 802 CA LEU A 52 0.456 2.924 0.835 1.00 0.00 C ATOM 803 C LEU A 52 1.937 3.305 0.854 1.00 0.00 C ATOM 804 O LEU A 52 2.313 4.394 1.258 1.00 0.00 O ATOM 805 CB LEU A 52 -0.272 3.643 -0.301 1.00 0.00 C ATOM 806 CG LEU A 52 0.657 3.981 -1.468 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.400 2.733 -1.945 1.00 0.00 C ATOM 808 CD2 LEU A 52 -0.150 4.577 -2.618 1.00 0.00 C ATOM 0 H LEU A 52 -0.541 4.251 2.131 1.00 0.00 H new ATOM 0 HA LEU A 52 0.377 1.847 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.088 3.016 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.719 4.561 0.081 1.00 0.00 H new ATOM 0 HG LEU A 52 1.391 4.711 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.055 2.995 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.995 2.329 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.680 1.984 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.518 4.815 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.897 3.856 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.648 5.486 -2.280 1.00 0.00 H new ATOM 820 N CYS A 53 2.743 2.337 0.378 1.00 0.00 N ATOM 821 CA CYS A 53 4.179 2.576 0.354 1.00 0.00 C ATOM 822 C CYS A 53 4.708 2.461 -1.065 1.00 0.00 C ATOM 823 O CYS A 53 4.622 1.421 -1.697 1.00 0.00 O ATOM 824 CB CYS A 53 4.894 1.545 1.225 1.00 0.00 C ATOM 825 SG CYS A 53 6.057 2.285 2.388 1.00 0.00 S ATOM 0 H CYS A 53 2.436 1.431 0.024 1.00 0.00 H new ATOM 0 HA CYS A 53 4.365 3.580 0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.152 0.969 1.779 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.428 0.844 0.583 1.00 0.00 H new ATOM 0 HG CYS A 53 5.429 2.619 3.476 1.00 0.00 H new ATOM 831 N LEU A 54 5.270 3.587 -1.524 1.00 0.00 N ATOM 832 CA LEU A 54 5.845 3.550 -2.856 1.00 0.00 C ATOM 833 C LEU A 54 7.132 4.361 -2.867 1.00 0.00 C ATOM 834 O LEU A 54 7.373 5.206 -2.015 1.00 0.00 O ATOM 835 CB LEU A 54 4.841 4.007 -3.919 1.00 0.00 C ATOM 836 CG LEU A 54 4.263 5.415 -3.697 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.113 5.367 -2.700 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.331 6.419 -3.238 1.00 0.00 C ATOM 0 H LEU A 54 5.334 4.475 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 54 6.092 2.521 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.327 3.979 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.018 3.293 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 54 3.887 5.764 -4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.716 6.371 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.326 4.717 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.473 4.978 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.873 7.398 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.767 6.082 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.112 6.491 -3.995 1.00 0.00 H new ATOM 850 N LEU A 55 7.958 4.028 -3.870 1.00 0.00 N ATOM 851 CA LEU A 55 9.229 4.719 -3.947 1.00 0.00 C ATOM 852 C LEU A 55 9.208 5.757 -5.058 1.00 0.00 C ATOM 853 O LEU A 55 8.697 5.535 -6.148 1.00 0.00 O ATOM 854 CB LEU A 55 10.333 3.705 -4.181 1.00 0.00 C ATOM 855 CG LEU A 55 11.712 4.345 -4.058 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.317 4.118 -2.679 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.641 3.771 -5.110 1.00 0.00 C ATOM 0 H LEU A 55 7.777 3.329 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 55 9.413 5.241 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.242 2.893 -3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.221 3.266 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 55 11.592 5.418 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.299 4.589 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.667 4.555 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.418 3.048 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.624 4.232 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.730 2.694 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.237 3.974 -6.102 1.00 0.00 H new ATOM 869 N HIS A 56 9.798 6.909 -4.694 1.00 0.00 N ATOM 870 CA HIS A 56 9.853 7.991 -5.657 1.00 0.00 C ATOM 871 C HIS A 56 11.301 8.259 -6.102 1.00 0.00 C ATOM 872 O HIS A 56 12.009 9.082 -5.535 1.00 0.00 O ATOM 873 CB HIS A 56 9.248 9.243 -5.031 1.00 0.00 C ATOM 874 CG HIS A 56 9.282 10.374 -6.032 1.00 0.00 C ATOM 875 ND1 HIS A 56 8.318 10.596 -6.953 1.00 0.00 N ATOM 876 CD2 HIS A 56 10.270 11.364 -6.186 1.00 0.00 C ATOM 877 CE1 HIS A 56 8.698 11.681 -7.647 1.00 0.00 C ATOM 878 NE2 HIS A 56 9.873 12.163 -7.203 1.00 0.00 N ATOM 0 H HIS A 56 10.220 7.099 -3.785 1.00 0.00 H new ATOM 0 HA HIS A 56 9.282 7.711 -6.542 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.221 9.048 -4.722 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.804 9.519 -4.135 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.173 11.467 -5.603 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.132 12.112 -8.459 1.00 0.00 H new ATOM 0 HE2 HIS A 56 10.370 12.977 -7.565 1.00 0.00 H new ATOM 886 N GLU A 57 11.678 7.507 -7.157 1.00 0.00 N ATOM 887 CA GLU A 57 13.010 7.689 -7.730 1.00 0.00 C ATOM 888 C GLU A 57 14.155 7.319 -6.773 1.00 0.00 C ATOM 889 O GLU A 57 15.323 7.479 -7.104 1.00 0.00 O ATOM 890 CB GLU A 57 13.136 9.144 -8.133 1.00 0.00 C ATOM 891 CG GLU A 57 11.986 9.570 -9.043 1.00 0.00 C ATOM 892 CD GLU A 57 12.395 10.796 -9.862 1.00 0.00 C ATOM 893 OE1 GLU A 57 12.607 11.853 -9.270 1.00 0.00 O ATOM 894 OE2 GLU A 57 12.498 10.679 -11.082 1.00 0.00 O ATOM 0 H GLU A 57 11.100 6.798 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 57 13.105 7.013 -8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.148 9.771 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.085 9.301 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.716 8.751 -9.709 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.104 9.799 -8.445 1.00 0.00 H new ATOM 901 N GLY A 58 13.775 6.824 -5.585 1.00 0.00 N ATOM 902 CA GLY A 58 14.823 6.460 -4.639 1.00 0.00 C ATOM 903 C GLY A 58 14.553 7.008 -3.232 1.00 0.00 C ATOM 904 O GLY A 58 15.460 7.229 -2.438 1.00 0.00 O ATOM 0 H GLY A 58 12.814 6.676 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 58 14.907 5.374 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.780 6.839 -4.997 1.00 0.00 H new ATOM 908 N LYS A 59 13.252 7.205 -2.991 1.00 0.00 N ATOM 909 CA LYS A 59 12.833 7.697 -1.709 1.00 0.00 C ATOM 910 C LYS A 59 11.536 6.989 -1.385 1.00 0.00 C ATOM 911 O LYS A 59 10.460 7.362 -1.835 1.00 0.00 O ATOM 912 CB LYS A 59 12.621 9.202 -1.750 1.00 0.00 C ATOM 913 CG LYS A 59 13.885 9.951 -2.175 1.00 0.00 C ATOM 914 CD LYS A 59 13.625 10.845 -3.387 1.00 0.00 C ATOM 915 CE LYS A 59 14.852 11.686 -3.739 1.00 0.00 C ATOM 916 NZ LYS A 59 15.991 10.868 -4.135 1.00 0.00 N ATOM 0 H LYS A 59 12.501 7.032 -3.659 1.00 0.00 H new ATOM 0 HA LYS A 59 13.591 7.504 -0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.812 9.435 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.308 9.550 -0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.246 10.558 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.672 9.235 -2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.348 10.228 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.780 11.502 -3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.600 12.370 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.128 12.298 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.764 11.483 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.315 10.307 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.709 10.230 -4.906 1.00 0.00 H new ATOM 930 N VAL A 60 11.714 5.947 -0.580 1.00 0.00 N ATOM 931 CA VAL A 60 10.551 5.170 -0.222 1.00 0.00 C ATOM 932 C VAL A 60 9.636 6.040 0.614 1.00 0.00 C ATOM 933 O VAL A 60 10.060 6.783 1.490 1.00 0.00 O ATOM 934 CB VAL A 60 10.950 3.940 0.581 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.104 4.314 2.047 1.00 0.00 C ATOM 936 CG2 VAL A 60 9.889 2.848 0.450 1.00 0.00 C ATOM 0 H VAL A 60 12.603 5.639 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 60 10.046 4.838 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 60 11.897 3.564 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.390 3.432 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.875 5.078 2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.158 4.701 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.191 1.976 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.935 3.221 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.783 2.567 -0.598 1.00 0.00 H new ATOM 946 N LEU A 61 8.362 5.881 0.288 1.00 0.00 N ATOM 947 CA LEU A 61 7.379 6.655 1.003 1.00 0.00 C ATOM 948 C LEU A 61 6.262 5.809 1.535 1.00 0.00 C ATOM 949 O LEU A 61 6.152 4.611 1.311 1.00 0.00 O ATOM 950 CB LEU A 61 6.786 7.719 0.104 1.00 0.00 C ATOM 951 CG LEU A 61 7.870 8.380 -0.714 1.00 0.00 C ATOM 952 CD1 LEU A 61 7.298 9.427 -1.671 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.843 9.002 0.263 1.00 0.00 C ATOM 0 H LEU A 61 8.004 5.254 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 61 7.900 7.112 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.043 7.273 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.269 8.466 0.706 1.00 0.00 H new ATOM 0 HG LEU A 61 8.372 7.644 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.109 9.880 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.596 8.950 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.781 10.198 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.646 9.493 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.322 9.736 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.263 8.226 0.903 1.00 0.00 H new ATOM 965 N HIS A 62 5.433 6.572 2.244 1.00 0.00 N ATOM 966 CA HIS A 62 4.263 5.979 2.855 1.00 0.00 C ATOM 967 C HIS A 62 3.115 6.988 2.751 1.00 0.00 C ATOM 968 O HIS A 62 3.323 8.193 2.697 1.00 0.00 O ATOM 969 CB HIS A 62 4.545 5.639 4.327 1.00 0.00 C ATOM 970 CG HIS A 62 5.859 4.891 4.470 1.00 0.00 C ATOM 971 ND1 HIS A 62 5.959 3.588 4.820 1.00 0.00 N ATOM 972 CD2 HIS A 62 7.160 5.393 4.283 1.00 0.00 C ATOM 973 CE1 HIS A 62 7.274 3.300 4.843 1.00 0.00 C ATOM 974 NE2 HIS A 62 8.018 4.374 4.524 1.00 0.00 N ATOM 0 H HIS A 62 5.550 7.573 2.403 1.00 0.00 H new ATOM 0 HA HIS A 62 3.998 5.053 2.344 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.578 6.556 4.916 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.732 5.033 4.726 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.424 6.401 4.000 1.00 0.00 H new ATOM 0 HE1 HIS A 62 7.680 2.329 5.087 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.036 4.413 4.473 1.00 0.00 H new ATOM 982 N TYR A 63 1.901 6.423 2.691 1.00 0.00 N ATOM 983 CA TYR A 63 0.739 7.284 2.621 1.00 0.00 C ATOM 984 C TYR A 63 -0.293 6.758 3.612 1.00 0.00 C ATOM 985 O TYR A 63 -0.486 5.560 3.742 1.00 0.00 O ATOM 986 CB TYR A 63 0.148 7.236 1.211 1.00 0.00 C ATOM 987 CG TYR A 63 0.784 8.224 0.274 1.00 0.00 C ATOM 988 CD1 TYR A 63 0.645 9.622 0.473 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.519 7.761 -0.846 1.00 0.00 C ATOM 990 CE1 TYR A 63 1.236 10.524 -0.427 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.107 8.668 -1.746 1.00 0.00 C ATOM 992 CZ TYR A 63 1.964 10.053 -1.539 1.00 0.00 C ATOM 993 OH TYR A 63 2.538 10.947 -2.419 1.00 0.00 O ATOM 0 H TYR A 63 1.713 5.420 2.690 1.00 0.00 H new ATOM 0 HA TYR A 63 1.015 8.312 2.857 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.268 6.231 0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.923 7.432 1.265 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.084 9.993 1.318 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.629 6.699 -1.010 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.132 11.587 -0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.667 8.303 -2.594 1.00 0.00 H new ATOM 0 HH TYR A 63 3.510 10.824 -2.423 1.00 0.00 H new ATOM 1003 N ARG A 64 -0.944 7.709 4.302 1.00 0.00 N ATOM 1004 CA ARG A 64 -1.952 7.265 5.252 1.00 0.00 C ATOM 1005 C ARG A 64 -3.203 6.858 4.476 1.00 0.00 C ATOM 1006 O ARG A 64 -3.597 7.507 3.520 1.00 0.00 O ATOM 1007 CB ARG A 64 -2.303 8.370 6.241 1.00 0.00 C ATOM 1008 CG ARG A 64 -1.110 9.266 6.572 1.00 0.00 C ATOM 1009 CD ARG A 64 -1.541 10.493 7.375 1.00 0.00 C ATOM 1010 NE ARG A 64 -2.481 10.110 8.414 1.00 0.00 N ATOM 1011 CZ ARG A 64 -2.046 9.340 9.428 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -0.777 8.945 9.468 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -2.886 8.973 10.391 1.00 0.00 N ATOM 0 H ARG A 64 -0.801 8.716 4.225 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.558 6.421 5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.107 8.980 5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.682 7.923 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.373 8.698 7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.625 9.585 5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.668 10.969 7.822 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.000 11.227 6.713 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.452 10.419 8.376 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.132 9.226 8.729 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.449 8.361 10.237 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.860 9.275 10.361 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.557 8.389 11.160 1.00 0.00 H new ATOM 1027 N ILE A 65 -3.806 5.764 4.969 1.00 0.00 N ATOM 1028 CA ILE A 65 -5.010 5.270 4.306 1.00 0.00 C ATOM 1029 C ILE A 65 -5.921 4.561 5.311 1.00 0.00 C ATOM 1030 O ILE A 65 -5.567 3.546 5.897 1.00 0.00 O ATOM 1031 CB ILE A 65 -4.623 4.289 3.195 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -4.199 5.034 1.931 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.794 3.357 2.875 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.788 4.648 1.500 1.00 0.00 C ATOM 0 H ILE A 65 -3.496 5.232 5.782 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.544 6.119 3.879 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.779 3.697 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.899 4.814 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.245 6.109 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.503 2.666 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.065 2.793 3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.649 3.947 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.520 5.197 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.085 4.893 2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.749 3.578 1.298 1.00 0.00 H new ATOM 1046 N ASP A 66 -7.114 5.165 5.470 1.00 0.00 N ATOM 1047 CA ASP A 66 -8.083 4.560 6.361 1.00 0.00 C ATOM 1048 C ASP A 66 -9.486 4.909 5.893 1.00 0.00 C ATOM 1049 O ASP A 66 -9.695 5.683 4.969 1.00 0.00 O ATOM 1050 CB ASP A 66 -7.884 5.054 7.779 1.00 0.00 C ATOM 1051 CG ASP A 66 -8.645 4.155 8.756 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -8.436 2.943 8.722 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -9.438 4.676 9.538 1.00 0.00 O ATOM 0 H ASP A 66 -7.408 6.028 5.012 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.946 3.479 6.346 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.822 5.058 8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.236 6.082 7.868 1.00 0.00 H new ATOM 1058 N LYS A 67 -10.423 4.306 6.628 1.00 0.00 N ATOM 1059 CA LYS A 67 -11.818 4.529 6.310 1.00 0.00 C ATOM 1060 C LYS A 67 -12.444 5.434 7.368 1.00 0.00 C ATOM 1061 O LYS A 67 -11.766 6.032 8.194 1.00 0.00 O ATOM 1062 CB LYS A 67 -12.539 3.185 6.262 1.00 0.00 C ATOM 1063 CG LYS A 67 -12.540 2.501 7.626 1.00 0.00 C ATOM 1064 CD LYS A 67 -12.139 1.030 7.518 1.00 0.00 C ATOM 1065 CE LYS A 67 -12.558 0.241 8.759 1.00 0.00 C ATOM 1066 NZ LYS A 67 -11.915 0.731 9.972 1.00 0.00 N ATOM 0 H LYS A 67 -10.244 3.684 7.416 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.907 5.016 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.566 3.334 5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.056 2.538 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.851 3.018 8.294 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.532 2.577 8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.600 0.590 6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.060 0.955 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.640 0.300 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.309 -0.811 8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.204 0.143 10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.882 0.683 9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.199 1.717 10.142 1.00 0.00 H new ATOM 1080 N ASP A 68 -13.784 5.487 7.281 1.00 0.00 N ATOM 1081 CA ASP A 68 -14.512 6.306 8.229 1.00 0.00 C ATOM 1082 C ASP A 68 -15.384 5.395 9.085 1.00 0.00 C ATOM 1083 O ASP A 68 -16.596 5.547 9.170 1.00 0.00 O ATOM 1084 CB ASP A 68 -15.372 7.304 7.465 1.00 0.00 C ATOM 1085 CG ASP A 68 -14.541 8.534 7.092 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -13.414 8.362 6.632 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -15.032 9.648 7.267 1.00 0.00 O ATOM 0 H ASP A 68 -14.352 4.993 6.593 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.825 6.856 8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.771 6.838 6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.225 7.602 8.074 1.00 0.00 H new ATOM 1092 N LYS A 69 -14.677 4.435 9.708 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.389 3.467 10.531 1.00 0.00 C ATOM 1094 C LYS A 69 -16.617 2.952 9.776 1.00 0.00 C ATOM 1095 O LYS A 69 -17.641 2.603 10.350 1.00 0.00 O ATOM 1096 CB LYS A 69 -15.795 4.107 11.855 1.00 0.00 C ATOM 1097 CG LYS A 69 -14.579 4.634 12.615 1.00 0.00 C ATOM 1098 CD LYS A 69 -13.380 3.699 12.463 1.00 0.00 C ATOM 1099 CE LYS A 69 -12.294 4.009 13.494 1.00 0.00 C ATOM 1100 NZ LYS A 69 -11.837 5.392 13.421 1.00 0.00 N ATOM 0 H LYS A 69 -13.665 4.317 9.658 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.734 2.622 10.746 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.491 4.924 11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.321 3.375 12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.318 5.626 12.245 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.827 4.742 13.671 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.707 2.665 12.576 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.968 3.795 11.459 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.678 3.808 14.494 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.447 3.341 13.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.992 5.510 14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.603 5.629 12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.590 6.025 13.760 1.00 0.00 H new ATOM 1114 N THR A 70 -16.423 2.936 8.450 1.00 0.00 N ATOM 1115 CA THR A 70 -17.457 2.471 7.572 1.00 0.00 C ATOM 1116 C THR A 70 -16.971 1.210 6.855 1.00 0.00 C ATOM 1117 O THR A 70 -17.744 0.336 6.480 1.00 0.00 O ATOM 1118 CB THR A 70 -17.711 3.574 6.559 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.724 4.427 7.028 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.088 3.016 5.198 1.00 0.00 C ATOM 0 H THR A 70 -15.567 3.239 7.986 1.00 0.00 H new ATOM 0 HA THR A 70 -18.369 2.234 8.120 1.00 0.00 H new ATOM 0 HB THR A 70 -16.785 4.136 6.438 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.383 4.959 7.777 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.261 3.838 4.503 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.278 2.389 4.825 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.996 2.420 5.288 1.00 0.00 H new ATOM 1128 N GLY A 71 -15.632 1.185 6.694 1.00 0.00 N ATOM 1129 CA GLY A 71 -15.042 0.065 6.005 1.00 0.00 C ATOM 1130 C GLY A 71 -14.377 0.484 4.685 1.00 0.00 C ATOM 1131 O GLY A 71 -13.512 -0.201 4.153 1.00 0.00 O ATOM 0 H GLY A 71 -14.982 1.900 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.301 -0.407 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.810 -0.681 5.803 1.00 0.00 H new ATOM 1135 N LYS A 72 -14.841 1.651 4.201 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.297 2.153 2.950 1.00 0.00 C ATOM 1137 C LYS A 72 -12.922 2.756 3.208 1.00 0.00 C ATOM 1138 O LYS A 72 -12.781 3.763 3.885 1.00 0.00 O ATOM 1139 CB LYS A 72 -15.231 3.211 2.366 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.641 2.665 2.141 1.00 0.00 C ATOM 1141 CD LYS A 72 -16.784 2.033 0.757 1.00 0.00 C ATOM 1142 CE LYS A 72 -18.214 2.155 0.230 1.00 0.00 C ATOM 1143 NZ LYS A 72 -18.601 3.542 0.000 1.00 0.00 N ATOM 0 H LYS A 72 -15.556 2.231 4.639 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.205 1.334 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.276 4.067 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.826 3.571 1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.871 1.923 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.366 3.471 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.097 2.516 0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.501 0.981 0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.305 1.595 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.902 1.701 0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.342 3.579 -0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.964 3.952 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.773 4.085 -0.319 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.926 2.101 2.589 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.576 2.582 2.777 1.00 0.00 C ATOM 1159 C LEU A 73 -10.380 3.803 1.891 1.00 0.00 C ATOM 1160 O LEU A 73 -10.672 3.793 0.703 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.586 1.488 2.391 1.00 0.00 C ATOM 1162 CG LEU A 73 -9.689 0.273 3.312 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.741 -0.831 2.841 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -9.368 0.668 4.754 1.00 0.00 C ATOM 0 H LEU A 73 -12.032 1.283 1.989 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.407 2.849 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.769 1.180 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.572 1.887 2.428 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.711 -0.105 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.825 -1.691 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.006 -1.130 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.716 -0.460 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.446 -0.209 5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.355 1.067 4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.074 1.428 5.089 1.00 0.00 H new ATOM 1176 N SER A 74 -9.863 4.848 2.549 1.00 0.00 N ATOM 1177 CA SER A 74 -9.652 6.082 1.822 1.00 0.00 C ATOM 1178 C SER A 74 -8.284 6.654 2.166 1.00 0.00 C ATOM 1179 O SER A 74 -7.398 5.968 2.660 1.00 0.00 O ATOM 1180 CB SER A 74 -10.753 7.077 2.180 1.00 0.00 C ATOM 1181 OG SER A 74 -10.719 7.381 3.551 1.00 0.00 O ATOM 0 H SER A 74 -9.598 4.859 3.534 1.00 0.00 H new ATOM 0 HA SER A 74 -9.687 5.887 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.630 7.989 1.597 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.726 6.661 1.918 1.00 0.00 H new ATOM 0 HG SER A 74 -10.107 6.767 4.007 1.00 0.00 H new ATOM 1187 N ILE A 75 -8.192 7.962 1.882 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.941 8.647 2.135 1.00 0.00 C ATOM 1189 C ILE A 75 -7.230 10.103 2.493 1.00 0.00 C ATOM 1190 O ILE A 75 -8.121 10.734 1.939 1.00 0.00 O ATOM 1191 CB ILE A 75 -6.098 8.591 0.865 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.992 7.156 0.351 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.704 9.180 1.094 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.761 6.966 -0.536 1.00 0.00 C ATOM 0 H ILE A 75 -8.940 8.536 1.494 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.407 8.174 2.959 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.598 9.197 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.942 6.469 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.890 6.903 -0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.129 9.125 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.795 10.221 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.193 8.614 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.718 5.934 -0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.824 7.635 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.862 7.194 0.036 1.00 0.00 H new ATOM 1206 N PRO A 76 -6.428 10.610 3.455 1.00 0.00 N ATOM 1207 CA PRO A 76 -6.540 11.983 3.896 1.00 0.00 C ATOM 1208 C PRO A 76 -6.510 12.941 2.709 1.00 0.00 C ATOM 1209 O PRO A 76 -7.449 13.681 2.443 1.00 0.00 O ATOM 1210 CB PRO A 76 -5.331 12.220 4.803 1.00 0.00 C ATOM 1211 CG PRO A 76 -4.648 10.857 5.008 1.00 0.00 C ATOM 1212 CD PRO A 76 -5.388 9.850 4.124 1.00 0.00 C ATOM 0 HA PRO A 76 -7.482 12.160 4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.642 12.932 4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.643 12.643 5.758 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.594 10.909 4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.692 10.557 6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.712 9.391 3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.814 9.043 4.720 1.00 0.00 H new ATOM 1220 N GLU A 77 -5.362 12.864 2.022 1.00 0.00 N ATOM 1221 CA GLU A 77 -5.195 13.702 0.848 1.00 0.00 C ATOM 1222 C GLU A 77 -5.032 12.831 -0.408 1.00 0.00 C ATOM 1223 O GLU A 77 -4.315 13.176 -1.337 1.00 0.00 O ATOM 1224 CB GLU A 77 -3.980 14.606 1.035 1.00 0.00 C ATOM 1225 CG GLU A 77 -4.180 15.581 2.196 1.00 0.00 C ATOM 1226 CD GLU A 77 -3.484 15.047 3.449 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -2.347 14.590 3.340 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -4.087 15.094 4.521 1.00 0.00 O ATOM 0 H GLU A 77 -4.574 12.258 2.251 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.082 14.323 0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.096 13.996 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.796 15.164 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.777 16.559 1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.244 15.716 2.390 1.00 0.00 H new ATOM 1235 N GLY A 78 -5.746 11.684 -0.372 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.681 10.780 -1.511 1.00 0.00 C ATOM 1237 C GLY A 78 -7.026 10.732 -2.241 1.00 0.00 C ATOM 1238 O GLY A 78 -7.344 11.576 -3.071 1.00 0.00 O ATOM 0 H GLY A 78 -6.343 11.383 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.900 11.108 -2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.409 9.780 -1.173 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.786 9.683 -1.869 1.00 0.00 N ATOM 1243 CA LYS A 79 -9.089 9.513 -2.479 1.00 0.00 C ATOM 1244 C LYS A 79 -10.041 8.831 -1.491 1.00 0.00 C ATOM 1245 O LYS A 79 -10.100 9.146 -0.309 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.929 8.664 -3.734 1.00 0.00 C ATOM 1247 CG LYS A 79 -10.092 8.862 -4.705 1.00 0.00 C ATOM 1248 CD LYS A 79 -9.812 10.009 -5.673 1.00 0.00 C ATOM 1249 CE LYS A 79 -10.845 10.062 -6.799 1.00 0.00 C ATOM 1250 NZ LYS A 79 -10.791 8.885 -7.659 1.00 0.00 N ATOM 0 H LYS A 79 -7.524 8.978 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.509 10.483 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.993 8.922 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.863 7.612 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.262 7.943 -5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.005 9.068 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.817 10.954 -5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.815 9.891 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.843 10.149 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.678 10.956 -7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.272 9.090 -8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.798 8.637 -7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.264 8.088 -7.187 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.770 7.876 -2.082 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.733 7.111 -1.300 1.00 0.00 C ATOM 1266 C LYS A 80 -12.105 5.848 -2.079 1.00 0.00 C ATOM 1267 O LYS A 80 -12.554 5.906 -3.217 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.970 7.966 -1.034 1.00 0.00 C ATOM 1269 CG LYS A 80 -13.588 8.477 -2.336 1.00 0.00 C ATOM 1270 CD LYS A 80 -14.753 9.430 -2.070 1.00 0.00 C ATOM 1271 CE LYS A 80 -14.292 10.691 -1.337 1.00 0.00 C ATOM 1272 NZ LYS A 80 -15.377 11.641 -1.129 1.00 0.00 N ATOM 0 H LYS A 80 -10.712 7.624 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.301 6.826 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.707 7.380 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.700 8.812 -0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.826 8.988 -2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.937 7.632 -2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.220 9.708 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.513 8.921 -1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.867 10.412 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.498 11.170 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.015 12.478 -0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.767 11.929 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.125 11.195 -0.560 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.890 4.708 -1.393 1.00 0.00 N ATOM 1287 CA PHE A 81 -12.181 3.453 -2.042 1.00 0.00 C ATOM 1288 C PHE A 81 -12.917 2.505 -1.098 1.00 0.00 C ATOM 1289 O PHE A 81 -12.992 2.705 0.112 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.867 2.833 -2.474 1.00 0.00 C ATOM 1291 CG PHE A 81 -10.161 3.702 -3.470 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.643 3.811 -4.796 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -9.004 4.426 -3.091 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.978 4.634 -5.731 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.339 5.247 -4.026 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.824 5.351 -5.345 1.00 0.00 C ATOM 0 H PHE A 81 -11.534 4.646 -0.439 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.826 3.629 -2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -10.229 2.681 -1.603 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -11.051 1.851 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.524 3.262 -5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.629 4.349 -2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.352 4.715 -6.741 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.457 5.796 -3.731 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.314 5.979 -6.060 1.00 0.00 H new ATOM 1306 N ASP A 82 -13.429 1.442 -1.746 1.00 0.00 N ATOM 1307 CA ASP A 82 -14.166 0.443 -0.993 1.00 0.00 C ATOM 1308 C ASP A 82 -13.190 -0.497 -0.287 1.00 0.00 C ATOM 1309 O ASP A 82 -13.309 -0.772 0.901 1.00 0.00 O ATOM 1310 CB ASP A 82 -15.072 -0.340 -1.939 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.871 -1.380 -1.151 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -15.594 -1.558 0.034 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -16.760 -2.000 -1.732 1.00 0.00 O ATOM 0 H ASP A 82 -13.345 1.267 -2.747 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.782 0.934 -0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.751 0.340 -2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.474 -0.832 -2.706 1.00 0.00 H new ATOM 1318 N THR A 83 -12.217 -0.971 -1.092 1.00 0.00 N ATOM 1319 CA THR A 83 -11.239 -1.869 -0.529 1.00 0.00 C ATOM 1320 C THR A 83 -9.909 -1.611 -1.215 1.00 0.00 C ATOM 1321 O THR A 83 -9.823 -0.901 -2.210 1.00 0.00 O ATOM 1322 CB THR A 83 -11.687 -3.314 -0.735 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.836 -3.564 -2.111 1.00 0.00 O ATOM 1324 CG2 THR A 83 -13.004 -3.608 -0.017 1.00 0.00 C ATOM 0 H THR A 83 -12.104 -0.751 -2.082 1.00 0.00 H new ATOM 0 HA THR A 83 -11.134 -1.700 0.543 1.00 0.00 H new ATOM 0 HB THR A 83 -10.924 -3.967 -0.312 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.122 -4.492 -2.246 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.288 -4.646 -0.189 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.881 -3.437 1.053 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.783 -2.950 -0.402 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.884 -2.232 -0.624 1.00 0.00 N ATOM 1333 CA LEU A 84 -7.572 -2.077 -1.162 1.00 0.00 C ATOM 1334 C LEU A 84 -7.453 -2.619 -2.582 1.00 0.00 C ATOM 1335 O LEU A 84 -6.407 -2.551 -3.211 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.665 -2.861 -0.247 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.749 -1.967 0.551 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.818 -2.823 1.409 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.963 -1.069 -0.397 1.00 0.00 C ATOM 0 H LEU A 84 -8.954 -2.826 0.202 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.314 -1.020 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.269 -3.460 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.068 -3.555 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.333 -1.331 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.157 -2.176 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.410 -3.435 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.222 -3.470 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.301 -0.423 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.370 -1.685 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.655 -0.457 -0.975 1.00 0.00 H new ATOM 1351 N TRP A 85 -8.575 -3.161 -3.032 1.00 0.00 N ATOM 1352 CA TRP A 85 -8.591 -3.713 -4.372 1.00 0.00 C ATOM 1353 C TRP A 85 -8.846 -2.618 -5.372 1.00 0.00 C ATOM 1354 O TRP A 85 -8.392 -2.654 -6.497 1.00 0.00 O ATOM 1355 CB TRP A 85 -9.701 -4.748 -4.465 1.00 0.00 C ATOM 1356 CG TRP A 85 -9.112 -6.102 -4.765 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -8.277 -6.397 -5.840 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -9.297 -7.309 -4.025 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -7.940 -7.720 -5.802 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -8.548 -8.325 -4.695 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -10.019 -7.607 -2.876 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -8.532 -9.625 -4.206 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -10.010 -8.931 -2.369 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -9.265 -9.941 -3.035 1.00 0.00 C ATOM 0 H TRP A 85 -9.450 -3.229 -2.513 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.628 -4.177 -4.587 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -10.258 -4.783 -3.529 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -10.408 -4.468 -5.246 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -7.947 -5.690 -6.587 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.339 -8.194 -6.476 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.583 -6.836 -2.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -7.965 -10.390 -4.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.569 -9.172 -1.477 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.257 -10.950 -2.649 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.614 -1.653 -4.899 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.904 -0.560 -5.792 1.00 0.00 C ATOM 1377 C GLN A 86 -8.870 0.516 -5.592 1.00 0.00 C ATOM 1378 O GLN A 86 -8.353 1.076 -6.526 1.00 0.00 O ATOM 1379 CB GLN A 86 -11.317 -0.033 -5.553 1.00 0.00 C ATOM 1380 CG GLN A 86 -12.374 -1.088 -5.881 1.00 0.00 C ATOM 1381 CD GLN A 86 -12.314 -1.440 -7.369 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -11.517 -2.492 -7.630 1.00 0.00 O flip ATOM 1383 NE2 GLN A 86 -12.941 -0.806 -8.210 1.00 0.00 N flip ATOM 0 H GLN A 86 -10.022 -1.604 -3.965 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.861 -0.903 -6.826 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.420 0.275 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.484 0.853 -6.166 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.207 -1.982 -5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.366 -0.713 -5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.524 -0.019 -7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.880 -1.065 -9.195 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.578 0.758 -4.321 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.581 1.773 -4.074 1.00 0.00 C ATOM 1394 C LEU A 87 -6.262 1.386 -4.739 1.00 0.00 C ATOM 1395 O LEU A 87 -5.482 2.237 -5.148 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.401 1.955 -2.568 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.359 3.024 -2.248 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -6.463 3.450 -0.784 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.956 2.499 -2.549 1.00 0.00 C ATOM 0 H LEU A 87 -8.985 0.302 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.910 2.719 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.355 2.231 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.100 1.008 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.550 3.895 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.713 4.212 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.457 3.855 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.293 2.586 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.221 3.270 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.760 1.616 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.885 2.236 -3.604 1.00 0.00 H new ATOM 1411 N VAL A 88 -6.067 0.062 -4.851 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.858 -0.383 -5.453 1.00 0.00 C ATOM 1413 C VAL A 88 -4.960 -0.244 -6.952 1.00 0.00 C ATOM 1414 O VAL A 88 -4.132 0.374 -7.569 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.598 -1.827 -5.101 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.656 -2.408 -6.135 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -4.004 -1.942 -3.701 1.00 0.00 C ATOM 0 H VAL A 88 -6.711 -0.666 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.035 0.227 -5.081 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.535 -2.383 -5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.455 -3.453 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.113 -2.341 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.720 -1.849 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.824 -2.991 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.062 -1.394 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.700 -1.523 -2.975 1.00 0.00 H new ATOM 1427 N GLU A 89 -6.009 -0.891 -7.491 1.00 0.00 N ATOM 1428 CA GLU A 89 -6.164 -0.836 -8.941 1.00 0.00 C ATOM 1429 C GLU A 89 -6.226 0.587 -9.411 1.00 0.00 C ATOM 1430 O GLU A 89 -5.559 0.997 -10.351 1.00 0.00 O ATOM 1431 CB GLU A 89 -7.443 -1.528 -9.352 1.00 0.00 C ATOM 1432 CG GLU A 89 -7.489 -2.922 -8.792 1.00 0.00 C ATOM 1433 CD GLU A 89 -6.892 -3.916 -9.791 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -7.594 -4.302 -10.724 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -5.734 -4.293 -9.622 1.00 0.00 O ATOM 0 H GLU A 89 -6.714 -1.422 -6.980 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.305 -1.334 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.302 -0.958 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.511 -1.564 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.936 -2.963 -7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.519 -3.197 -8.567 1.00 0.00 H new ATOM 1442 N HIS A 90 -7.069 1.313 -8.689 1.00 0.00 N ATOM 1443 CA HIS A 90 -7.258 2.690 -9.094 1.00 0.00 C ATOM 1444 C HIS A 90 -5.924 3.373 -9.211 1.00 0.00 C ATOM 1445 O HIS A 90 -5.581 3.982 -10.211 1.00 0.00 O ATOM 1446 CB HIS A 90 -8.136 3.422 -8.099 1.00 0.00 C ATOM 1447 CG HIS A 90 -9.015 4.408 -8.837 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -9.106 5.799 -8.651 1.00 0.00 N flip ATOM 1449 CD2 HIS A 90 -9.871 4.059 -9.822 1.00 0.00 C flip ATOM 1450 CE1 HIS A 90 -10.023 6.257 -9.536 1.00 0.00 C flip ATOM 1451 NE2 HIS A 90 -10.468 5.192 -10.227 1.00 0.00 N flip ATOM 0 H HIS A 90 -7.598 0.997 -7.876 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.754 2.706 -10.065 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.751 2.711 -7.548 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.519 3.944 -7.368 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -8.581 6.357 -7.977 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.042 3.065 -10.208 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.337 7.282 -9.663 1.00 0.00 H new ATOM 1459 N TYR A 91 -5.210 3.234 -8.117 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.900 3.841 -8.082 1.00 0.00 C ATOM 1461 C TYR A 91 -2.941 3.099 -9.024 1.00 0.00 C ATOM 1462 O TYR A 91 -1.922 3.625 -9.450 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.393 3.838 -6.660 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.930 5.022 -5.899 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -5.202 5.570 -6.222 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -3.189 5.590 -4.835 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.722 6.657 -5.491 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.714 6.681 -4.104 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.979 7.213 -4.431 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.486 8.279 -3.716 1.00 0.00 O ATOM 0 H TYR A 91 -5.496 2.731 -7.277 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.961 4.873 -8.429 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.693 2.915 -6.164 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.303 3.862 -6.657 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.775 5.149 -7.035 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.219 5.189 -4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.690 7.064 -5.743 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -3.144 7.109 -3.292 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.244 7.978 -3.173 1.00 0.00 H new ATOM 1480 N SER A 92 -3.329 1.846 -9.311 1.00 0.00 N ATOM 1481 CA SER A 92 -2.515 1.064 -10.231 1.00 0.00 C ATOM 1482 C SER A 92 -2.592 1.705 -11.612 1.00 0.00 C ATOM 1483 O SER A 92 -1.787 1.457 -12.501 1.00 0.00 O ATOM 1484 CB SER A 92 -3.061 -0.345 -10.293 1.00 0.00 C ATOM 1485 OG SER A 92 -2.024 -1.284 -10.418 1.00 0.00 O ATOM 0 H SER A 92 -4.156 1.380 -8.939 1.00 0.00 H new ATOM 0 HA SER A 92 -1.479 1.036 -9.895 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.639 -0.554 -9.393 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.743 -0.437 -11.138 1.00 0.00 H new ATOM 0 HG SER A 92 -2.403 -2.187 -10.454 1.00 0.00 H new ATOM 1491 N TYR A 93 -3.629 2.546 -11.704 1.00 0.00 N ATOM 1492 CA TYR A 93 -3.881 3.236 -12.941 1.00 0.00 C ATOM 1493 C TYR A 93 -3.121 4.545 -12.934 1.00 0.00 C ATOM 1494 O TYR A 93 -2.345 4.865 -13.825 1.00 0.00 O ATOM 1495 CB TYR A 93 -5.374 3.527 -13.035 1.00 0.00 C ATOM 1496 CG TYR A 93 -6.214 2.285 -12.870 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -5.642 0.996 -13.025 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -7.580 2.396 -12.517 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -6.428 -0.165 -12.827 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -8.366 1.235 -12.319 1.00 0.00 C ATOM 1501 CZ TYR A 93 -7.789 -0.044 -12.476 1.00 0.00 C ATOM 1502 OH TYR A 93 -8.557 -1.175 -12.286 1.00 0.00 O ATOM 0 H TYR A 93 -4.283 2.751 -10.949 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.562 2.628 -13.788 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.649 4.252 -12.269 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.592 3.984 -14.000 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.601 0.900 -13.296 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.026 3.372 -12.398 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.986 -1.143 -12.945 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.407 1.328 -12.048 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.471 -0.914 -12.048 1.00 0.00 H new ATOM 1512 N LYS A 94 -3.457 5.280 -11.870 1.00 0.00 N ATOM 1513 CA LYS A 94 -2.866 6.567 -11.666 1.00 0.00 C ATOM 1514 C LYS A 94 -2.327 6.724 -10.262 1.00 0.00 C ATOM 1515 O LYS A 94 -2.401 5.854 -9.409 1.00 0.00 O ATOM 1516 CB LYS A 94 -3.960 7.582 -11.835 1.00 0.00 C ATOM 1517 CG LYS A 94 -5.205 7.185 -11.027 1.00 0.00 C ATOM 1518 CD LYS A 94 -6.383 8.112 -11.319 1.00 0.00 C ATOM 1519 CE LYS A 94 -7.126 7.680 -12.584 1.00 0.00 C ATOM 1520 NZ LYS A 94 -8.152 8.637 -12.981 1.00 0.00 N ATOM 0 H LYS A 94 -4.128 4.995 -11.156 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.044 6.692 -12.371 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.607 8.561 -11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.219 7.671 -12.890 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.482 6.158 -11.265 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.973 7.214 -9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.069 8.110 -10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.024 9.135 -11.436 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.411 7.559 -13.398 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.587 6.706 -12.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.627 8.300 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.850 8.734 -12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.712 9.561 -13.167 1.00 0.00 H new ATOM 1534 N ALA A 95 -1.789 7.927 -10.114 1.00 0.00 N ATOM 1535 CA ALA A 95 -1.255 8.322 -8.825 1.00 0.00 C ATOM 1536 C ALA A 95 -2.421 8.755 -7.935 1.00 0.00 C ATOM 1537 O ALA A 95 -2.530 8.372 -6.782 1.00 0.00 O ATOM 1538 CB ALA A 95 -0.264 9.470 -9.008 1.00 0.00 C ATOM 0 H ALA A 95 -1.713 8.628 -10.851 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.729 7.489 -8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.135 9.764 -8.037 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.553 9.146 -9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.772 10.320 -9.464 1.00 0.00 H new ATOM 1544 N ASP A 96 -3.294 9.566 -8.563 1.00 0.00 N ATOM 1545 CA ASP A 96 -4.461 10.046 -7.825 1.00 0.00 C ATOM 1546 C ASP A 96 -4.077 11.103 -6.788 1.00 0.00 C ATOM 1547 O ASP A 96 -4.915 11.767 -6.191 1.00 0.00 O ATOM 1548 CB ASP A 96 -5.143 8.875 -7.159 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.513 8.644 -7.793 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -7.347 9.545 -7.736 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -6.727 7.565 -8.339 1.00 0.00 O ATOM 0 H ASP A 96 -3.217 9.885 -9.529 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.146 10.519 -8.529 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.530 7.980 -7.261 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.254 9.066 -6.092 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.765 11.199 -6.630 1.00 0.00 N ATOM 1557 CA GLY A 97 -2.228 12.158 -5.681 1.00 0.00 C ATOM 1558 C GLY A 97 -0.801 11.791 -5.243 1.00 0.00 C ATOM 1559 O GLY A 97 -0.033 12.630 -4.792 1.00 0.00 O ATOM 0 H GLY A 97 -2.072 10.642 -7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.226 13.151 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.876 12.205 -4.806 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.498 10.492 -5.422 1.00 0.00 N ATOM 1564 CA LEU A 98 0.814 10.027 -5.037 1.00 0.00 C ATOM 1565 C LEU A 98 1.856 10.869 -5.751 1.00 0.00 C ATOM 1566 O LEU A 98 1.543 11.712 -6.583 1.00 0.00 O ATOM 1567 CB LEU A 98 0.978 8.569 -5.454 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.215 7.723 -5.039 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.209 6.390 -5.773 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -0.208 7.518 -3.529 1.00 0.00 C ATOM 0 H LEU A 98 -1.122 9.787 -5.814 1.00 0.00 H new ATOM 0 HA LEU A 98 0.936 10.112 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.104 8.513 -6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.885 8.163 -5.005 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.131 8.247 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.071 5.799 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.259 6.566 -6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.707 5.848 -5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.066 6.911 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.711 7.011 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.264 8.486 -3.030 1.00 0.00 H new ATOM 1582 N LEU A 99 3.111 10.588 -5.379 1.00 0.00 N ATOM 1583 CA LEU A 99 4.180 11.291 -6.035 1.00 0.00 C ATOM 1584 C LEU A 99 4.150 10.907 -7.525 1.00 0.00 C ATOM 1585 O LEU A 99 4.386 11.719 -8.411 1.00 0.00 O ATOM 1586 CB LEU A 99 5.491 10.881 -5.369 1.00 0.00 C ATOM 1587 CG LEU A 99 6.356 12.074 -4.942 1.00 0.00 C ATOM 1588 CD1 LEU A 99 5.504 13.289 -4.573 1.00 0.00 C ATOM 1589 CD2 LEU A 99 7.217 11.676 -3.747 1.00 0.00 C ATOM 0 H LEU A 99 3.387 9.914 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 99 4.077 12.373 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.270 10.270 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.060 10.257 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 99 6.986 12.350 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.154 14.112 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.907 13.590 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.843 13.032 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.832 12.523 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.574 11.378 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.861 10.841 -4.024 1.00 0.00 H new ATOM 1601 N ARG A 100 3.834 9.607 -7.720 1.00 0.00 N ATOM 1602 CA ARG A 100 3.719 9.088 -9.064 1.00 0.00 C ATOM 1603 C ARG A 100 2.838 7.836 -9.020 1.00 0.00 C ATOM 1604 O ARG A 100 2.733 7.160 -8.004 1.00 0.00 O ATOM 1605 CB ARG A 100 5.100 8.744 -9.592 1.00 0.00 C ATOM 1606 CG ARG A 100 5.115 8.675 -11.120 1.00 0.00 C ATOM 1607 CD ARG A 100 5.787 7.398 -11.622 1.00 0.00 C ATOM 1608 NE ARG A 100 5.884 7.423 -13.072 1.00 0.00 N ATOM 1609 CZ ARG A 100 5.914 6.257 -13.746 1.00 0.00 C ATOM 1610 NH1 ARG A 100 5.859 5.101 -13.090 1.00 0.00 N ATOM 1611 NH2 ARG A 100 6.000 6.261 -15.073 1.00 0.00 N ATOM 0 H ARG A 100 3.662 8.931 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 100 3.271 9.830 -9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.817 9.492 -9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.420 7.787 -9.180 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.093 8.720 -11.496 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.640 9.543 -11.518 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.781 7.304 -11.185 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.215 6.527 -11.303 1.00 0.00 H new ATOM 0 HE ARG A 100 5.929 8.311 -13.572 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.794 5.095 -12.072 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.882 4.221 -13.605 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.043 7.146 -15.579 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.023 5.379 -15.585 1.00 0.00 H new ATOM 1625 N VAL A 101 2.216 7.576 -10.181 1.00 0.00 N ATOM 1626 CA VAL A 101 1.361 6.423 -10.275 1.00 0.00 C ATOM 1627 C VAL A 101 2.091 5.185 -9.749 1.00 0.00 C ATOM 1628 O VAL A 101 3.241 5.232 -9.329 1.00 0.00 O ATOM 1629 CB VAL A 101 1.039 6.210 -11.736 1.00 0.00 C ATOM 1630 CG1 VAL A 101 -0.070 5.200 -11.876 1.00 0.00 C ATOM 1631 CG2 VAL A 101 0.655 7.532 -12.405 1.00 0.00 C ATOM 0 H VAL A 101 2.295 8.137 -11.029 1.00 0.00 H new ATOM 0 HA VAL A 101 0.456 6.579 -9.687 1.00 0.00 H new ATOM 0 HB VAL A 101 1.927 5.826 -12.237 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.296 5.052 -12.932 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.243 4.253 -11.436 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.960 5.563 -11.362 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.427 7.355 -13.456 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.221 7.950 -11.909 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.485 8.234 -12.327 1.00 0.00 H new ATOM 1641 N LEU A 102 1.330 4.083 -9.816 1.00 0.00 N ATOM 1642 CA LEU A 102 1.885 2.799 -9.423 1.00 0.00 C ATOM 1643 C LEU A 102 2.191 2.040 -10.698 1.00 0.00 C ATOM 1644 O LEU A 102 1.636 2.298 -11.759 1.00 0.00 O ATOM 1645 CB LEU A 102 0.882 2.010 -8.605 1.00 0.00 C ATOM 1646 CG LEU A 102 0.755 2.495 -7.160 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.838 4.014 -7.060 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.562 1.996 -6.565 1.00 0.00 C ATOM 0 H LEU A 102 0.360 4.061 -10.130 1.00 0.00 H new ATOM 0 HA LEU A 102 2.778 2.945 -8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.094 2.069 -9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.173 0.960 -8.603 1.00 0.00 H new ATOM 0 HG LEU A 102 1.592 2.087 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.743 4.316 -6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.798 4.352 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.032 4.462 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.651 2.343 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.396 2.383 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.580 0.906 -6.584 1.00 0.00 H new ATOM 1660 N THR A 103 3.106 1.098 -10.522 1.00 0.00 N ATOM 1661 CA THR A 103 3.510 0.324 -11.665 1.00 0.00 C ATOM 1662 C THR A 103 3.984 -1.076 -11.251 1.00 0.00 C ATOM 1663 O THR A 103 3.793 -2.054 -11.964 1.00 0.00 O ATOM 1664 CB THR A 103 4.625 1.110 -12.352 1.00 0.00 C ATOM 1665 OG1 THR A 103 4.159 1.617 -13.577 1.00 0.00 O ATOM 1666 CG2 THR A 103 5.870 0.276 -12.582 1.00 0.00 C ATOM 0 H THR A 103 3.560 0.865 -9.639 1.00 0.00 H new ATOM 0 HA THR A 103 2.672 0.169 -12.345 1.00 0.00 H new ATOM 0 HB THR A 103 4.904 1.927 -11.686 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.266 2.001 -13.454 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.630 0.884 -13.073 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.252 -0.079 -11.625 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.625 -0.578 -13.214 1.00 0.00 H new ATOM 1674 N VAL A 104 4.613 -1.105 -10.060 1.00 0.00 N ATOM 1675 CA VAL A 104 5.151 -2.395 -9.605 1.00 0.00 C ATOM 1676 C VAL A 104 4.864 -2.681 -8.127 1.00 0.00 C ATOM 1677 O VAL A 104 4.829 -1.788 -7.293 1.00 0.00 O ATOM 1678 CB VAL A 104 6.667 -2.356 -9.786 1.00 0.00 C ATOM 1679 CG1 VAL A 104 7.323 -3.627 -9.248 1.00 0.00 C ATOM 1680 CG2 VAL A 104 7.037 -2.174 -11.255 1.00 0.00 C ATOM 0 H VAL A 104 4.754 -0.310 -9.436 1.00 0.00 H new ATOM 0 HA VAL A 104 4.671 -3.178 -10.191 1.00 0.00 H new ATOM 0 HB VAL A 104 7.038 -1.503 -9.217 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.402 -3.568 -9.392 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.103 -3.728 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.932 -4.493 -9.783 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.122 -2.149 -11.357 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.637 -3.004 -11.837 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.617 -1.238 -11.623 1.00 0.00 H new ATOM 1690 N PRO A 105 4.654 -4.003 -7.850 1.00 0.00 N ATOM 1691 CA PRO A 105 4.476 -4.499 -6.495 1.00 0.00 C ATOM 1692 C PRO A 105 5.845 -4.562 -5.806 1.00 0.00 C ATOM 1693 O PRO A 105 6.848 -4.898 -6.423 1.00 0.00 O ATOM 1694 CB PRO A 105 3.904 -5.909 -6.635 1.00 0.00 C ATOM 1695 CG PRO A 105 4.018 -6.286 -8.121 1.00 0.00 C ATOM 1696 CD PRO A 105 4.461 -5.022 -8.870 1.00 0.00 C ATOM 0 HA PRO A 105 3.819 -3.860 -5.905 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.456 -6.614 -6.013 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.865 -5.940 -6.306 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.740 -7.090 -8.261 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.062 -6.646 -8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.382 -5.199 -9.425 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.707 -4.712 -9.594 1.00 0.00 H new ATOM 1704 N CYS A 106 5.839 -4.241 -4.509 1.00 0.00 N ATOM 1705 CA CYS A 106 7.127 -4.219 -3.829 1.00 0.00 C ATOM 1706 C CYS A 106 7.619 -5.612 -3.469 1.00 0.00 C ATOM 1707 O CYS A 106 8.537 -6.147 -4.077 1.00 0.00 O ATOM 1708 CB CYS A 106 7.043 -3.379 -2.572 1.00 0.00 C ATOM 1709 SG CYS A 106 8.677 -3.004 -1.888 1.00 0.00 S ATOM 0 H CYS A 106 5.020 -4.009 -3.947 1.00 0.00 H new ATOM 0 HA CYS A 106 7.842 -3.782 -4.526 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.522 -2.448 -2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 106 6.450 -3.906 -1.824 1.00 0.00 H new ATOM 0 HG CYS A 106 8.638 -3.101 -0.592 1.00 0.00 H new ATOM 1715 N GLN A 107 6.964 -6.144 -2.423 1.00 0.00 N ATOM 1716 CA GLN A 107 7.358 -7.430 -1.927 1.00 0.00 C ATOM 1717 C GLN A 107 7.811 -8.356 -3.030 1.00 0.00 C ATOM 1718 O GLN A 107 7.538 -8.196 -4.213 1.00 0.00 O ATOM 1719 CB GLN A 107 6.219 -8.033 -1.158 1.00 0.00 C ATOM 1720 CG GLN A 107 6.699 -8.644 0.150 1.00 0.00 C ATOM 1721 CD GLN A 107 7.382 -9.989 -0.100 1.00 0.00 C ATOM 1722 OE1 GLN A 107 6.899 -10.832 -0.846 1.00 0.00 O ATOM 1723 NE2 GLN A 107 8.537 -10.125 0.576 1.00 0.00 N ATOM 0 H GLN A 107 6.186 -5.703 -1.932 1.00 0.00 H new ATOM 0 HA GLN A 107 8.215 -7.292 -1.268 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.471 -7.268 -0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.733 -8.799 -1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.394 -7.963 0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.854 -8.779 0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.868 -9.371 1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.082 -10.982 0.487 1.00 0.00 H new ATOM 1857 N GLU B 3 3.404 10.940 2.994 1.00 0.00 N ATOM 1858 CA GLU B 3 3.561 12.019 2.027 1.00 0.00 C ATOM 1859 C GLU B 3 2.186 12.591 1.772 1.00 0.00 C ATOM 1860 O GLU B 3 1.213 12.239 2.428 1.00 0.00 O ATOM 1861 CB GLU B 3 4.199 11.584 0.710 1.00 0.00 C ATOM 1862 CG GLU B 3 5.021 10.313 0.810 1.00 0.00 C ATOM 1863 CD GLU B 3 4.556 9.336 -0.272 1.00 0.00 C ATOM 1864 OE1 GLU B 3 4.671 9.665 -1.451 1.00 0.00 O ATOM 1865 OE2 GLU B 3 4.094 8.252 0.083 1.00 0.00 O ATOM 0 HA GLU B 3 4.245 12.757 2.447 1.00 0.00 H new ATOM 0 HB2 GLU B 3 3.413 11.438 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU B 3 4.837 12.389 0.344 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.080 10.538 0.685 1.00 0.00 H new ATOM 0 HG3 GLU B 3 4.905 9.866 1.797 1.00 0.00 H new ATOM 1872 N THR B 4 2.153 13.490 0.785 1.00 0.00 N ATOM 1873 CA THR B 4 0.879 14.072 0.470 1.00 0.00 C ATOM 1874 C THR B 4 0.498 13.715 -0.950 1.00 0.00 C ATOM 1875 O THR B 4 1.138 14.084 -1.926 1.00 0.00 O ATOM 1876 CB THR B 4 0.936 15.581 0.666 1.00 0.00 C ATOM 1877 OG1 THR B 4 2.230 16.047 0.362 1.00 0.00 O ATOM 1878 CG2 THR B 4 0.571 15.988 2.094 1.00 0.00 C ATOM 0 H THR B 4 2.948 13.806 0.230 1.00 0.00 H new ATOM 0 HA THR B 4 0.116 13.676 1.140 1.00 0.00 H new ATOM 0 HB THR B 4 0.204 16.030 -0.005 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.266 17.018 0.487 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.625 17.073 2.188 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.442 15.654 2.320 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.269 15.528 2.793 1.00 0.00 H new ATOM 1886 N LEU B 5 -0.591 12.948 -0.956 1.00 0.00 N ATOM 1887 CA LEU B 5 -1.137 12.470 -2.181 1.00 0.00 C ATOM 1888 C LEU B 5 -1.767 13.632 -2.956 1.00 0.00 C ATOM 1889 O LEU B 5 -2.974 13.699 -3.148 1.00 0.00 O ATOM 1890 CB LEU B 5 -2.181 11.438 -1.816 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.730 10.061 -2.225 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.933 9.061 -1.109 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -2.512 9.623 -3.421 1.00 0.00 C ATOM 0 H LEU B 5 -1.096 12.657 -0.119 1.00 0.00 H new ATOM 0 HA LEU B 5 -0.370 12.030 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -2.364 11.462 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -3.125 11.678 -2.306 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.666 10.105 -2.458 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.597 8.077 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.358 9.368 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.991 9.016 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.189 8.626 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.573 9.602 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -2.344 10.321 -4.241 1.00 0.00 H new