USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 487 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 64 LYS NZ :NH3+ -126:sc= 0.0628 (180deg=0) USER MOD Set 1.2: A 83 TYR OH : rot 30:sc= 0.061 USER MOD Single : A 21 GLN :FLIP amide:sc= 0.493 F(o=-1.4,f=0.49) USER MOD Single : A 23 LYS NZ :NH3+ 142:sc= -0.245 (180deg=-1.44!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.547 F(o=-1.9,f=-0.55) USER MOD Single : A 34 ASN : amide:sc= 0.0796 K(o=0.08,f=-6.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0286 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00884) USER MOD Single : A 46 SER OG : rot -52:sc= -0.145 USER MOD Single : A 47 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.8!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.439 F(o=-2,f=-0.44) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc=-0.00297 (180deg=-0.101) USER MOD Single : A 59 ASN : amide:sc= -0.274 K(o=-0.27,f=-1.2) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= -0.139 (180deg=-0.408) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 157:sc= -1.32 (180deg=-2.88!) USER MOD Single : A 84 ASN : amide:sc= -0.612 K(o=-0.61,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 8.012 7.936 2.365 1.00 0.00 N ATOM 243 CA GLN A 21 6.983 6.926 2.581 1.00 0.00 C ATOM 244 C GLN A 21 6.505 6.344 1.255 1.00 0.00 C ATOM 245 O GLN A 21 6.429 5.127 1.093 1.00 0.00 O ATOM 246 CB GLN A 21 5.801 7.527 3.344 1.00 0.00 C ATOM 247 CG GLN A 21 5.999 7.551 4.851 1.00 0.00 C ATOM 248 CD GLN A 21 6.835 8.729 5.311 1.00 0.00 C ATOM 249 OE1 GLN A 21 6.437 9.342 6.420 1.00 0.00 O flip ATOM 250 NE2 GLN A 21 7.829 9.085 4.677 1.00 0.00 N flip ATOM 0 HA GLN A 21 7.418 6.121 3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.631 8.545 2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.902 6.956 3.113 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.026 7.588 5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.480 6.625 5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.099 8.586 3.830 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.382 9.879 4.999 1.00 0.00 H new ATOM 259 N GLU A 22 6.183 7.222 0.311 1.00 0.00 N ATOM 260 CA GLU A 22 5.711 6.794 -1.001 1.00 0.00 C ATOM 261 C GLU A 22 6.842 6.163 -1.807 1.00 0.00 C ATOM 262 O GLU A 22 6.603 5.384 -2.730 1.00 0.00 O ATOM 263 CB GLU A 22 5.123 7.980 -1.768 1.00 0.00 C ATOM 264 CG GLU A 22 4.151 7.575 -2.863 1.00 0.00 C ATOM 265 CD GLU A 22 3.616 8.764 -3.638 1.00 0.00 C ATOM 266 OE1 GLU A 22 2.913 9.600 -3.033 1.00 0.00 O ATOM 267 OE2 GLU A 22 3.902 8.858 -4.850 1.00 0.00 O ATOM 0 H GLU A 22 6.240 8.233 0.430 1.00 0.00 H new ATOM 0 HA GLU A 22 4.933 6.045 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.612 8.639 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.936 8.555 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.649 6.892 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.317 7.030 -2.420 1.00 0.00 H new ATOM 274 N LYS A 23 8.076 6.507 -1.453 1.00 0.00 N ATOM 275 CA LYS A 23 9.246 5.976 -2.142 1.00 0.00 C ATOM 276 C LYS A 23 9.762 4.720 -1.447 1.00 0.00 C ATOM 277 O LYS A 23 10.201 3.772 -2.101 1.00 0.00 O ATOM 278 CB LYS A 23 10.353 7.031 -2.199 1.00 0.00 C ATOM 279 CG LYS A 23 11.042 7.263 -0.866 1.00 0.00 C ATOM 280 CD LYS A 23 11.988 8.450 -0.926 1.00 0.00 C ATOM 281 CE LYS A 23 13.392 8.024 -1.329 1.00 0.00 C ATOM 282 NZ LYS A 23 13.470 7.667 -2.772 1.00 0.00 N ATOM 0 H LYS A 23 8.291 7.152 -0.692 1.00 0.00 H new ATOM 0 HA LYS A 23 8.951 5.713 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.097 6.725 -2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.928 7.972 -2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.293 7.433 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.597 6.369 -0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.610 9.182 -1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.021 8.940 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.092 8.832 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.699 7.169 -0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.375 7.998 -3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.403 6.635 -2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.686 8.119 -3.284 1.00 0.00 H new ATOM 296 N LEU A 24 9.706 4.718 -0.120 1.00 0.00 N ATOM 297 CA LEU A 24 10.167 3.577 0.664 1.00 0.00 C ATOM 298 C LEU A 24 9.347 2.331 0.345 1.00 0.00 C ATOM 299 O LEU A 24 9.866 1.214 0.355 1.00 0.00 O ATOM 300 CB LEU A 24 10.078 3.891 2.158 1.00 0.00 C ATOM 301 CG LEU A 24 10.255 2.703 3.105 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.611 2.048 2.893 1.00 0.00 C ATOM 303 CD2 LEU A 24 10.095 3.146 4.552 1.00 0.00 C ATOM 0 H LEU A 24 9.346 5.494 0.436 1.00 0.00 H new ATOM 0 HA LEU A 24 11.207 3.383 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.835 4.637 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.108 4.347 2.356 1.00 0.00 H new ATOM 0 HG LEU A 24 9.481 1.968 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.719 1.205 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.688 1.694 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.400 2.774 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.224 2.288 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.846 3.900 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.100 3.568 4.696 1.00 0.00 H new ATOM 315 N VAL A 25 8.064 2.529 0.060 1.00 0.00 N ATOM 316 CA VAL A 25 7.173 1.422 -0.266 1.00 0.00 C ATOM 317 C VAL A 25 7.410 0.926 -1.688 1.00 0.00 C ATOM 318 O VAL A 25 7.465 -0.279 -1.935 1.00 0.00 O ATOM 319 CB VAL A 25 5.695 1.828 -0.115 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.782 0.694 -0.555 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.399 2.236 1.320 1.00 0.00 C ATOM 0 H VAL A 25 7.618 3.446 0.048 1.00 0.00 H new ATOM 0 HA VAL A 25 7.395 0.619 0.437 1.00 0.00 H new ATOM 0 HB VAL A 25 5.504 2.686 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.742 0.999 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.977 0.454 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.971 -0.185 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.350 2.520 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.606 1.399 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.028 3.082 1.595 1.00 0.00 H new ATOM 331 N TYR A 26 7.551 1.862 -2.619 1.00 0.00 N ATOM 332 CA TYR A 26 7.780 1.521 -4.018 1.00 0.00 C ATOM 333 C TYR A 26 9.044 0.679 -4.173 1.00 0.00 C ATOM 334 O TYR A 26 9.171 -0.100 -5.117 1.00 0.00 O ATOM 335 CB TYR A 26 7.893 2.790 -4.863 1.00 0.00 C ATOM 336 CG TYR A 26 8.277 2.528 -6.302 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.419 1.850 -7.158 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.499 2.960 -6.805 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.767 1.607 -8.473 1.00 0.00 C ATOM 340 CE2 TYR A 26 9.854 2.723 -8.118 1.00 0.00 C ATOM 341 CZ TYR A 26 8.985 2.046 -8.949 1.00 0.00 C ATOM 342 OH TYR A 26 9.335 1.808 -10.258 1.00 0.00 O ATOM 0 H TYR A 26 7.511 2.864 -2.430 1.00 0.00 H new ATOM 0 HA TYR A 26 6.929 0.936 -4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.939 3.317 -4.841 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.633 3.451 -4.413 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.464 1.507 -6.790 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.182 3.490 -6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.089 1.076 -9.125 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.807 3.066 -8.493 1.00 0.00 H new ATOM 0 HH TYR A 26 10.223 2.183 -10.432 1.00 0.00 H new ATOM 352 N GLN A 27 9.974 0.843 -3.238 1.00 0.00 N ATOM 353 CA GLN A 27 11.228 0.099 -3.270 1.00 0.00 C ATOM 354 C GLN A 27 11.040 -1.309 -2.717 1.00 0.00 C ATOM 355 O GLN A 27 11.734 -2.243 -3.119 1.00 0.00 O ATOM 356 CB GLN A 27 12.303 0.836 -2.469 1.00 0.00 C ATOM 357 CG GLN A 27 13.445 -0.060 -2.018 1.00 0.00 C ATOM 358 CD GLN A 27 14.389 -0.416 -3.149 1.00 0.00 C ATOM 359 OE1 GLN A 27 13.870 -1.105 -4.159 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 15.572 -0.076 -3.117 1.00 0.00 N flip ATOM 0 H GLN A 27 9.883 1.484 -2.450 1.00 0.00 H new ATOM 0 HA GLN A 27 11.549 0.021 -4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.706 1.646 -3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.843 1.293 -1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.004 0.441 -1.227 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.036 -0.975 -1.589 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.929 0.453 -2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.195 -0.323 -3.886 1.00 0.00 H new ATOM 369 N ILE A 28 10.096 -1.455 -1.792 1.00 0.00 N ATOM 370 CA ILE A 28 9.817 -2.750 -1.184 1.00 0.00 C ATOM 371 C ILE A 28 9.043 -3.650 -2.141 1.00 0.00 C ATOM 372 O ILE A 28 9.231 -4.867 -2.153 1.00 0.00 O ATOM 373 CB ILE A 28 9.015 -2.597 0.122 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.874 -1.932 1.199 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.515 -3.953 0.598 1.00 0.00 C ATOM 376 CD1 ILE A 28 9.070 -1.169 2.228 1.00 0.00 C ATOM 0 H ILE A 28 9.512 -0.693 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 28 10.780 -3.207 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 28 8.152 -1.960 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.464 -2.696 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.578 -1.250 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.950 -3.829 1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.872 -4.392 -0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.365 -4.611 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.744 -0.724 2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.500 -0.382 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.385 -1.850 2.733 1.00 0.00 H new ATOM 388 N ILE A 29 8.173 -3.044 -2.942 1.00 0.00 N ATOM 389 CA ILE A 29 7.373 -3.791 -3.904 1.00 0.00 C ATOM 390 C ILE A 29 8.255 -4.450 -4.959 1.00 0.00 C ATOM 391 O ILE A 29 8.195 -5.662 -5.164 1.00 0.00 O ATOM 392 CB ILE A 29 6.343 -2.885 -4.604 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.429 -2.222 -3.572 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.526 -3.687 -5.606 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.694 -1.012 -4.105 1.00 0.00 C ATOM 0 H ILE A 29 8.004 -2.038 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 29 6.844 -4.562 -3.343 1.00 0.00 H new ATOM 0 HB ILE A 29 6.877 -2.103 -5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.701 -2.953 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.025 -1.924 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.803 -3.033 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.190 -4.115 -6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.999 -4.488 -5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.065 -0.593 -3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.415 -0.262 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.071 -1.307 -4.950 1.00 0.00 H new ATOM 407 N GLU A 30 9.074 -3.642 -5.625 1.00 0.00 N ATOM 408 CA GLU A 30 9.970 -4.147 -6.659 1.00 0.00 C ATOM 409 C GLU A 30 10.889 -5.230 -6.101 1.00 0.00 C ATOM 410 O GLU A 30 11.217 -6.197 -6.790 1.00 0.00 O ATOM 411 CB GLU A 30 10.805 -3.006 -7.244 1.00 0.00 C ATOM 412 CG GLU A 30 11.918 -2.533 -6.325 1.00 0.00 C ATOM 413 CD GLU A 30 12.564 -1.248 -6.805 1.00 0.00 C ATOM 414 OE1 GLU A 30 11.944 -0.176 -6.646 1.00 0.00 O ATOM 415 OE2 GLU A 30 13.691 -1.315 -7.340 1.00 0.00 O ATOM 0 H GLU A 30 9.136 -2.636 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 30 9.360 -4.584 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.240 -3.333 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.149 -2.165 -7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.517 -2.381 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.678 -3.311 -6.250 1.00 0.00 H new ATOM 422 N ASP A 31 11.302 -5.060 -4.850 1.00 0.00 N ATOM 423 CA ASP A 31 12.183 -6.022 -4.198 1.00 0.00 C ATOM 424 C ASP A 31 11.574 -7.421 -4.224 1.00 0.00 C ATOM 425 O ASP A 31 12.278 -8.411 -4.418 1.00 0.00 O ATOM 426 CB ASP A 31 12.457 -5.598 -2.754 1.00 0.00 C ATOM 427 CG ASP A 31 13.544 -4.546 -2.656 1.00 0.00 C ATOM 428 OD1 ASP A 31 14.388 -4.477 -3.574 1.00 0.00 O ATOM 429 OD2 ASP A 31 13.549 -3.790 -1.662 1.00 0.00 O ATOM 0 H ASP A 31 11.041 -4.265 -4.267 1.00 0.00 H new ATOM 0 HA ASP A 31 13.125 -6.045 -4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.539 -5.210 -2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.747 -6.472 -2.171 1.00 0.00 H new ATOM 434 N ALA A 32 10.262 -7.493 -4.026 1.00 0.00 N ATOM 435 CA ALA A 32 9.559 -8.770 -4.027 1.00 0.00 C ATOM 436 C ALA A 32 9.852 -9.557 -5.300 1.00 0.00 C ATOM 437 O ALA A 32 10.006 -10.777 -5.266 1.00 0.00 O ATOM 438 CB ALA A 32 8.061 -8.548 -3.875 1.00 0.00 C ATOM 0 H ALA A 32 9.665 -6.682 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 32 9.917 -9.354 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.549 -9.510 -3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.863 -8.034 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.697 -7.941 -4.704 1.00 0.00 H new ATOM 444 N GLY A 33 9.927 -8.850 -6.424 1.00 0.00 N ATOM 445 CA GLY A 33 10.201 -9.500 -7.692 1.00 0.00 C ATOM 446 C GLY A 33 8.935 -9.856 -8.446 1.00 0.00 C ATOM 447 O GLY A 33 7.834 -9.503 -8.026 1.00 0.00 O ATOM 0 H GLY A 33 9.803 -7.839 -6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.815 -8.843 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.782 -10.405 -7.515 1.00 0.00 H new ATOM 451 N ASN A 34 9.092 -10.557 -9.564 1.00 0.00 N ATOM 452 CA ASN A 34 7.952 -10.960 -10.380 1.00 0.00 C ATOM 453 C ASN A 34 6.833 -11.525 -9.510 1.00 0.00 C ATOM 454 O ASN A 34 5.661 -11.197 -9.697 1.00 0.00 O ATOM 455 CB ASN A 34 8.382 -12.001 -11.416 1.00 0.00 C ATOM 456 CG ASN A 34 9.587 -11.552 -12.220 1.00 0.00 C ATOM 457 OD1 ASN A 34 10.346 -10.684 -11.790 1.00 0.00 O ATOM 458 ND2 ASN A 34 9.767 -12.144 -13.395 1.00 0.00 N ATOM 0 H ASN A 34 9.997 -10.858 -9.926 1.00 0.00 H new ATOM 0 HA ASN A 34 7.576 -10.077 -10.896 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.614 -12.938 -10.911 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.551 -12.201 -12.093 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.560 -11.884 -13.981 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.112 -12.859 -13.711 1.00 0.00 H new ATOM 465 N LYS A 35 7.203 -12.375 -8.558 1.00 0.00 N ATOM 466 CA LYS A 35 6.232 -12.985 -7.657 1.00 0.00 C ATOM 467 C LYS A 35 5.292 -11.932 -7.077 1.00 0.00 C ATOM 468 O LYS A 35 4.083 -12.144 -6.995 1.00 0.00 O ATOM 469 CB LYS A 35 6.950 -13.722 -6.525 1.00 0.00 C ATOM 470 CG LYS A 35 7.776 -14.906 -6.997 1.00 0.00 C ATOM 471 CD LYS A 35 6.898 -16.101 -7.330 1.00 0.00 C ATOM 472 CE LYS A 35 6.484 -16.854 -6.076 1.00 0.00 C ATOM 473 NZ LYS A 35 5.477 -17.912 -6.371 1.00 0.00 N ATOM 0 H LYS A 35 8.169 -12.657 -8.390 1.00 0.00 H new ATOM 0 HA LYS A 35 5.640 -13.699 -8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.601 -13.021 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.211 -14.070 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.353 -14.621 -7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.491 -15.183 -6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.009 -15.764 -7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.435 -16.773 -7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.363 -17.307 -5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.072 -16.153 -5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.221 -18.402 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.628 -17.477 -6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.879 -18.596 -7.044 1.00 0.00 H new ATOM 487 N GLY A 36 5.856 -10.797 -6.678 1.00 0.00 N ATOM 488 CA GLY A 36 5.053 -9.728 -6.113 1.00 0.00 C ATOM 489 C GLY A 36 5.104 -9.705 -4.598 1.00 0.00 C ATOM 490 O GLY A 36 5.966 -10.338 -3.989 1.00 0.00 O ATOM 0 H GLY A 36 6.855 -10.598 -6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.403 -8.771 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.019 -9.844 -6.437 1.00 0.00 H new ATOM 494 N ILE A 37 4.179 -8.971 -3.988 1.00 0.00 N ATOM 495 CA ILE A 37 4.122 -8.867 -2.535 1.00 0.00 C ATOM 496 C ILE A 37 2.688 -8.673 -2.053 1.00 0.00 C ATOM 497 O ILE A 37 1.836 -8.181 -2.793 1.00 0.00 O ATOM 498 CB ILE A 37 4.987 -7.702 -2.020 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.073 -7.739 -0.492 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.421 -6.372 -2.493 1.00 0.00 C ATOM 501 CD1 ILE A 37 5.972 -6.670 0.088 1.00 0.00 C ATOM 0 H ILE A 37 3.459 -8.440 -4.478 1.00 0.00 H new ATOM 0 HA ILE A 37 4.513 -9.803 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 37 5.994 -7.809 -2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.072 -7.625 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.438 -8.718 -0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.044 -5.559 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.408 -6.349 -3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.405 -6.254 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.985 -6.756 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.983 -6.796 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.596 -5.686 -0.193 1.00 0.00 H new ATOM 513 N TRP A 38 2.430 -9.061 -0.810 1.00 0.00 N ATOM 514 CA TRP A 38 1.100 -8.927 -0.228 1.00 0.00 C ATOM 515 C TRP A 38 0.930 -7.565 0.436 1.00 0.00 C ATOM 516 O TRP A 38 1.827 -7.086 1.129 1.00 0.00 O ATOM 517 CB TRP A 38 0.852 -10.040 0.792 1.00 0.00 C ATOM 518 CG TRP A 38 -0.580 -10.146 1.219 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.672 -9.665 0.554 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.076 -10.772 2.408 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.816 -9.954 1.257 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.478 -10.633 2.398 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.472 -11.437 3.478 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.282 -11.135 3.418 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.272 -11.934 4.489 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.664 -11.782 4.453 1.00 0.00 C ATOM 0 H TRP A 38 3.124 -9.471 -0.185 1.00 0.00 H new ATOM 0 HA TRP A 38 0.369 -9.012 -1.032 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.168 -10.992 0.364 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.473 -9.863 1.670 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.640 -9.135 -0.387 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.764 -9.704 0.975 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.600 -11.560 3.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.355 -11.018 3.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.816 -12.449 5.322 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.261 -12.184 5.258 1.00 0.00 H new ATOM 537 N SER A 39 -0.226 -6.946 0.219 1.00 0.00 N ATOM 538 CA SER A 39 -0.511 -5.636 0.794 1.00 0.00 C ATOM 539 C SER A 39 0.022 -5.541 2.220 1.00 0.00 C ATOM 540 O SER A 39 0.679 -4.566 2.585 1.00 0.00 O ATOM 541 CB SER A 39 -2.018 -5.368 0.782 1.00 0.00 C ATOM 542 OG SER A 39 -2.721 -6.375 1.489 1.00 0.00 O ATOM 0 H SER A 39 -0.980 -7.330 -0.350 1.00 0.00 H new ATOM 0 HA SER A 39 -0.010 -4.883 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.221 -4.395 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.375 -5.325 -0.247 1.00 0.00 H new ATOM 0 HG SER A 39 -3.681 -6.180 1.468 1.00 0.00 H new ATOM 548 N ARG A 40 -0.265 -6.562 3.022 1.00 0.00 N ATOM 549 CA ARG A 40 0.184 -6.594 4.409 1.00 0.00 C ATOM 550 C ARG A 40 1.706 -6.660 4.486 1.00 0.00 C ATOM 551 O ARG A 40 2.343 -5.818 5.119 1.00 0.00 O ATOM 552 CB ARG A 40 -0.427 -7.792 5.137 1.00 0.00 C ATOM 553 CG ARG A 40 -1.947 -7.807 5.118 1.00 0.00 C ATOM 554 CD ARG A 40 -2.514 -8.484 6.356 1.00 0.00 C ATOM 555 NE ARG A 40 -1.873 -9.770 6.618 1.00 0.00 N ATOM 556 CZ ARG A 40 -2.141 -10.522 7.680 1.00 0.00 C ATOM 557 NH1 ARG A 40 -3.035 -10.119 8.573 1.00 0.00 N ATOM 558 NH2 ARG A 40 -1.517 -11.680 7.849 1.00 0.00 N ATOM 0 H ARG A 40 -0.806 -7.378 2.735 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.147 -5.676 4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.057 -8.710 4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.085 -7.790 6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.321 -6.785 5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.296 -8.327 4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.383 -7.831 7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.586 -8.633 6.229 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.182 -10.109 5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.518 -9.230 8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.239 -10.698 9.388 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.830 -11.994 7.163 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.724 -12.256 8.665 1.00 0.00 H new ATOM 572 N ASP A 41 2.283 -7.667 3.838 1.00 0.00 N ATOM 573 CA ASP A 41 3.730 -7.843 3.832 1.00 0.00 C ATOM 574 C ASP A 41 4.441 -6.496 3.747 1.00 0.00 C ATOM 575 O ASP A 41 5.557 -6.339 4.243 1.00 0.00 O ATOM 576 CB ASP A 41 4.152 -8.732 2.661 1.00 0.00 C ATOM 577 CG ASP A 41 4.177 -10.202 3.030 1.00 0.00 C ATOM 578 OD1 ASP A 41 3.315 -10.628 3.828 1.00 0.00 O ATOM 579 OD2 ASP A 41 5.057 -10.927 2.522 1.00 0.00 O ATOM 0 H ASP A 41 1.770 -8.373 3.310 1.00 0.00 H new ATOM 0 HA ASP A 41 4.017 -8.326 4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.465 -8.581 1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.141 -8.430 2.317 1.00 0.00 H new ATOM 584 N VAL A 42 3.789 -5.527 3.113 1.00 0.00 N ATOM 585 CA VAL A 42 4.358 -4.193 2.963 1.00 0.00 C ATOM 586 C VAL A 42 4.302 -3.420 4.275 1.00 0.00 C ATOM 587 O VAL A 42 5.316 -2.909 4.751 1.00 0.00 O ATOM 588 CB VAL A 42 3.623 -3.389 1.874 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.210 -1.991 1.755 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.686 -4.118 0.540 1.00 0.00 C ATOM 0 H VAL A 42 2.866 -5.641 2.695 1.00 0.00 H new ATOM 0 HA VAL A 42 5.399 -4.325 2.667 1.00 0.00 H new ATOM 0 HB VAL A 42 2.576 -3.294 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.678 -1.438 0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.108 -1.471 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.265 -2.061 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.162 -3.536 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.727 -4.245 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.214 -5.096 0.637 1.00 0.00 H new ATOM 600 N ARG A 43 3.110 -3.339 4.857 1.00 0.00 N ATOM 601 CA ARG A 43 2.921 -2.627 6.115 1.00 0.00 C ATOM 602 C ARG A 43 4.148 -2.770 7.010 1.00 0.00 C ATOM 603 O ARG A 43 4.657 -1.785 7.545 1.00 0.00 O ATOM 604 CB ARG A 43 1.682 -3.153 6.842 1.00 0.00 C ATOM 605 CG ARG A 43 0.405 -2.410 6.486 1.00 0.00 C ATOM 606 CD ARG A 43 -0.647 -2.555 7.575 1.00 0.00 C ATOM 607 NE ARG A 43 -0.211 -1.966 8.838 1.00 0.00 N ATOM 608 CZ ARG A 43 -0.692 -2.328 10.022 1.00 0.00 C ATOM 609 NH1 ARG A 43 -1.619 -3.272 10.105 1.00 0.00 N ATOM 610 NH2 ARG A 43 -0.245 -1.745 11.128 1.00 0.00 N ATOM 0 H ARG A 43 2.261 -3.758 4.477 1.00 0.00 H new ATOM 0 HA ARG A 43 2.779 -1.570 5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.555 -4.210 6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.845 -3.083 7.917 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.628 -1.354 6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.011 -2.793 5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.572 -2.077 7.252 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.870 -3.611 7.725 1.00 0.00 H new ATOM 0 HE ARG A 43 0.502 -1.237 8.809 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.965 -3.723 9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.986 -3.548 11.016 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.468 -1.018 11.069 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.615 -2.024 12.037 1.00 0.00 H new ATOM 624 N TYR A 44 4.618 -4.002 7.169 1.00 0.00 N ATOM 625 CA TYR A 44 5.783 -4.275 8.002 1.00 0.00 C ATOM 626 C TYR A 44 7.035 -3.631 7.414 1.00 0.00 C ATOM 627 O TYR A 44 7.692 -2.816 8.062 1.00 0.00 O ATOM 628 CB TYR A 44 5.992 -5.783 8.147 1.00 0.00 C ATOM 629 CG TYR A 44 4.701 -6.567 8.232 1.00 0.00 C ATOM 630 CD1 TYR A 44 4.055 -7.007 7.084 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.129 -6.869 9.462 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.876 -7.723 7.157 1.00 0.00 C ATOM 633 CE2 TYR A 44 2.951 -7.585 9.545 1.00 0.00 C ATOM 634 CZ TYR A 44 2.328 -8.010 8.390 1.00 0.00 C ATOM 635 OH TYR A 44 1.154 -8.724 8.468 1.00 0.00 O ATOM 0 H TYR A 44 4.210 -4.828 6.732 1.00 0.00 H new ATOM 0 HA TYR A 44 5.602 -3.844 8.987 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.572 -6.144 7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.584 -5.975 9.042 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.482 -6.785 6.117 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.614 -6.538 10.368 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.386 -8.056 6.254 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.520 -7.811 10.509 1.00 0.00 H new ATOM 0 HH TYR A 44 0.904 -8.841 9.408 1.00 0.00 H new ATOM 645 N LYS A 45 7.360 -4.004 6.181 1.00 0.00 N ATOM 646 CA LYS A 45 8.532 -3.463 5.501 1.00 0.00 C ATOM 647 C LYS A 45 8.510 -1.938 5.510 1.00 0.00 C ATOM 648 O LYS A 45 9.406 -1.298 6.060 1.00 0.00 O ATOM 649 CB LYS A 45 8.592 -3.975 4.060 1.00 0.00 C ATOM 650 CG LYS A 45 8.648 -5.489 3.954 1.00 0.00 C ATOM 651 CD LYS A 45 9.791 -6.064 4.775 1.00 0.00 C ATOM 652 CE LYS A 45 10.197 -7.442 4.277 1.00 0.00 C ATOM 653 NZ LYS A 45 11.027 -7.362 3.042 1.00 0.00 N ATOM 0 H LYS A 45 6.828 -4.679 5.632 1.00 0.00 H new ATOM 0 HA LYS A 45 9.420 -3.799 6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.718 -3.613 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.469 -3.552 3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.704 -5.914 4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.768 -5.777 2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.648 -5.392 4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.493 -6.128 5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.755 -7.960 5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.304 -8.034 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.882 -8.219 2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.748 -6.526 2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.031 -7.285 3.303 1.00 0.00 H new ATOM 667 N SER A 46 7.480 -1.362 4.898 1.00 0.00 N ATOM 668 CA SER A 46 7.344 0.089 4.833 1.00 0.00 C ATOM 669 C SER A 46 7.112 0.675 6.222 1.00 0.00 C ATOM 670 O SER A 46 7.062 1.892 6.394 1.00 0.00 O ATOM 671 CB SER A 46 6.189 0.472 3.906 1.00 0.00 C ATOM 672 OG SER A 46 4.972 -0.110 4.340 1.00 0.00 O ATOM 0 H SER A 46 6.728 -1.877 4.440 1.00 0.00 H new ATOM 0 HA SER A 46 8.272 0.500 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.087 1.557 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.410 0.145 2.890 1.00 0.00 H new ATOM 0 HG SER A 46 5.096 -1.075 4.462 1.00 0.00 H new ATOM 678 N ASN A 47 6.971 -0.201 7.212 1.00 0.00 N ATOM 679 CA ASN A 47 6.744 0.228 8.587 1.00 0.00 C ATOM 680 C ASN A 47 5.686 1.325 8.646 1.00 0.00 C ATOM 681 O ASN A 47 5.753 2.224 9.486 1.00 0.00 O ATOM 682 CB ASN A 47 8.049 0.729 9.209 1.00 0.00 C ATOM 683 CG ASN A 47 7.960 0.852 10.718 1.00 0.00 C ATOM 684 OD1 ASN A 47 7.039 0.325 11.342 1.00 0.00 O ATOM 685 ND2 ASN A 47 8.920 1.552 11.311 1.00 0.00 N ATOM 0 H ASN A 47 7.010 -1.213 7.087 1.00 0.00 H new ATOM 0 HA ASN A 47 6.385 -0.630 9.155 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.858 0.046 8.950 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.303 1.699 8.782 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.913 1.670 12.324 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.664 1.971 10.753 1.00 0.00 H new ATOM 692 N LEU A 48 4.709 1.246 7.750 1.00 0.00 N ATOM 693 CA LEU A 48 3.634 2.232 7.700 1.00 0.00 C ATOM 694 C LEU A 48 2.286 1.584 7.998 1.00 0.00 C ATOM 695 O LEU A 48 2.096 0.380 7.825 1.00 0.00 O ATOM 696 CB LEU A 48 3.596 2.905 6.326 1.00 0.00 C ATOM 697 CG LEU A 48 4.676 3.956 6.064 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.775 4.259 4.577 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.386 5.226 6.850 1.00 0.00 C ATOM 0 H LEU A 48 4.638 0.510 7.048 1.00 0.00 H new ATOM 0 HA LEU A 48 3.830 2.986 8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.677 2.132 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.621 3.376 6.201 1.00 0.00 H new ATOM 0 HG LEU A 48 5.634 3.557 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.548 5.009 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.030 3.348 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.818 4.638 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.165 5.963 6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.420 5.629 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.366 4.998 7.916 1.00 0.00 H new ATOM 711 N PRO A 49 1.326 2.401 8.457 1.00 0.00 N ATOM 712 CA PRO A 49 -0.023 1.929 8.787 1.00 0.00 C ATOM 713 C PRO A 49 -0.817 1.531 7.547 1.00 0.00 C ATOM 714 O PRO A 49 -0.552 2.014 6.446 1.00 0.00 O ATOM 715 CB PRO A 49 -0.665 3.141 9.467 1.00 0.00 C ATOM 716 CG PRO A 49 0.073 4.316 8.924 1.00 0.00 C ATOM 717 CD PRO A 49 1.482 3.846 8.688 1.00 0.00 C ATOM 0 HA PRO A 49 -0.002 1.035 9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.730 3.204 9.241 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.572 3.082 10.551 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.381 4.668 7.998 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.052 5.149 9.627 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.933 4.344 7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.122 4.049 9.547 1.00 0.00 H new ATOM 725 N LEU A 50 -1.791 0.647 7.734 1.00 0.00 N ATOM 726 CA LEU A 50 -2.625 0.184 6.630 1.00 0.00 C ATOM 727 C LEU A 50 -3.130 1.358 5.798 1.00 0.00 C ATOM 728 O LEU A 50 -3.043 1.347 4.570 1.00 0.00 O ATOM 729 CB LEU A 50 -3.810 -0.624 7.164 1.00 0.00 C ATOM 730 CG LEU A 50 -4.632 -1.379 6.120 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.474 -0.413 5.302 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.722 -2.196 5.214 1.00 0.00 C ATOM 0 H LEU A 50 -2.023 0.237 8.639 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.015 -0.455 5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.435 -1.344 7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.474 0.054 7.700 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.303 -2.063 6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.052 -0.969 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.152 0.127 5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.822 0.296 4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.324 -2.727 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.026 -1.531 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.164 -2.916 5.813 1.00 0.00 H new ATOM 744 N THR A 51 -3.656 2.374 6.476 1.00 0.00 N ATOM 745 CA THR A 51 -4.173 3.557 5.800 1.00 0.00 C ATOM 746 C THR A 51 -3.117 4.179 4.894 1.00 0.00 C ATOM 747 O THR A 51 -3.442 4.876 3.934 1.00 0.00 O ATOM 748 CB THR A 51 -4.654 4.616 6.810 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.195 5.745 6.116 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.512 5.066 7.708 1.00 0.00 C ATOM 0 H THR A 51 -3.735 2.401 7.493 1.00 0.00 H new ATOM 0 HA THR A 51 -5.019 3.230 5.196 1.00 0.00 H new ATOM 0 HB THR A 51 -5.429 4.167 7.432 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.500 6.413 6.765 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.876 5.814 8.413 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.122 4.209 8.257 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.718 5.498 7.098 1.00 0.00 H new ATOM 758 N GLU A 52 -1.850 3.921 5.205 1.00 0.00 N ATOM 759 CA GLU A 52 -0.746 4.457 4.418 1.00 0.00 C ATOM 760 C GLU A 52 -0.399 3.523 3.262 1.00 0.00 C ATOM 761 O GLU A 52 -0.153 3.970 2.141 1.00 0.00 O ATOM 762 CB GLU A 52 0.484 4.670 5.302 1.00 0.00 C ATOM 763 CG GLU A 52 0.480 5.998 6.041 1.00 0.00 C ATOM 764 CD GLU A 52 0.770 7.174 5.129 1.00 0.00 C ATOM 765 OE1 GLU A 52 0.493 7.065 3.915 1.00 0.00 O ATOM 766 OE2 GLU A 52 1.273 8.202 5.627 1.00 0.00 O ATOM 0 H GLU A 52 -1.563 3.344 5.996 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.059 5.417 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.543 3.860 6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.380 4.610 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.490 6.142 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.224 5.969 6.837 1.00 0.00 H new ATOM 773 N ILE A 53 -0.381 2.224 3.543 1.00 0.00 N ATOM 774 CA ILE A 53 -0.065 1.228 2.528 1.00 0.00 C ATOM 775 C ILE A 53 -1.143 1.179 1.450 1.00 0.00 C ATOM 776 O ILE A 53 -0.856 0.927 0.281 1.00 0.00 O ATOM 777 CB ILE A 53 0.091 -0.175 3.145 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.458 -0.309 3.819 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.087 -1.246 2.079 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.660 0.649 4.972 1.00 0.00 C ATOM 0 H ILE A 53 -0.582 1.837 4.465 1.00 0.00 H new ATOM 0 HA ILE A 53 0.882 1.526 2.078 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.682 -0.311 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.577 -1.330 4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.238 -0.141 3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.026 -2.231 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.081 -1.160 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.666 -1.115 1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.650 0.498 5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.573 1.674 4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.902 0.466 5.734 1.00 0.00 H new ATOM 792 N ASN A 54 -2.386 1.425 1.853 1.00 0.00 N ATOM 793 CA ASN A 54 -3.508 1.410 0.922 1.00 0.00 C ATOM 794 C ASN A 54 -3.398 2.555 -0.081 1.00 0.00 C ATOM 795 O ASN A 54 -3.435 2.340 -1.292 1.00 0.00 O ATOM 796 CB ASN A 54 -4.831 1.510 1.683 1.00 0.00 C ATOM 797 CG ASN A 54 -5.387 0.150 2.059 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.513 -0.740 2.514 1.00 0.00 O flip ATOM 799 ND2 ASN A 54 -6.587 -0.097 1.942 1.00 0.00 N flip ATOM 0 H ASN A 54 -2.641 1.637 2.818 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.481 0.467 0.375 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.683 2.101 2.587 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.560 2.041 1.070 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.223 0.618 1.588 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.946 -1.016 2.199 1.00 0.00 H new ATOM 806 N LYS A 55 -3.261 3.773 0.433 1.00 0.00 N ATOM 807 CA LYS A 55 -3.142 4.953 -0.415 1.00 0.00 C ATOM 808 C LYS A 55 -1.884 4.881 -1.275 1.00 0.00 C ATOM 809 O LYS A 55 -1.908 5.229 -2.456 1.00 0.00 O ATOM 810 CB LYS A 55 -3.117 6.221 0.441 1.00 0.00 C ATOM 811 CG LYS A 55 -1.835 6.390 1.239 1.00 0.00 C ATOM 812 CD LYS A 55 -1.793 7.734 1.947 1.00 0.00 C ATOM 813 CE LYS A 55 -2.661 7.734 3.196 1.00 0.00 C ATOM 814 NZ LYS A 55 -2.416 8.934 4.042 1.00 0.00 N ATOM 0 H LYS A 55 -3.230 3.968 1.434 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.009 4.985 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.250 7.089 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.963 6.203 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.754 5.588 1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.976 6.301 0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.764 7.972 2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.132 8.515 1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.712 7.701 2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.462 6.833 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.027 8.896 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.419 8.952 4.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.631 9.793 3.497 1.00 0.00 H new ATOM 828 N ILE A 56 -0.789 4.427 -0.676 1.00 0.00 N ATOM 829 CA ILE A 56 0.477 4.308 -1.388 1.00 0.00 C ATOM 830 C ILE A 56 0.402 3.232 -2.466 1.00 0.00 C ATOM 831 O ILE A 56 0.638 3.502 -3.645 1.00 0.00 O ATOM 832 CB ILE A 56 1.634 3.975 -0.427 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.773 5.067 0.636 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.934 3.813 -1.201 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.368 4.572 1.936 1.00 0.00 C ATOM 0 H ILE A 56 -0.753 4.135 0.301 1.00 0.00 H new ATOM 0 HA ILE A 56 0.669 5.274 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 56 1.412 3.033 0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.397 5.869 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.791 5.496 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.743 3.578 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.829 3.004 -1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.163 4.741 -1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.437 5.399 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.733 3.791 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.364 4.169 1.750 1.00 0.00 H new ATOM 847 N LEU A 57 0.070 2.013 -2.056 1.00 0.00 N ATOM 848 CA LEU A 57 -0.039 0.896 -2.988 1.00 0.00 C ATOM 849 C LEU A 57 -0.861 1.286 -4.212 1.00 0.00 C ATOM 850 O LEU A 57 -0.488 0.983 -5.346 1.00 0.00 O ATOM 851 CB LEU A 57 -0.676 -0.311 -2.296 1.00 0.00 C ATOM 852 CG LEU A 57 0.235 -1.104 -1.358 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.549 -2.201 -0.654 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.408 -1.694 -2.127 1.00 0.00 C ATOM 0 H LEU A 57 -0.128 1.773 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 57 0.966 0.631 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.538 0.035 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.052 -0.988 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 57 0.627 -0.424 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.116 -2.755 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.355 -1.755 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.970 -2.880 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.046 -2.255 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.035 -2.360 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.985 -0.890 -2.584 1.00 0.00 H new ATOM 866 N LYS A 58 -1.981 1.961 -3.976 1.00 0.00 N ATOM 867 CA LYS A 58 -2.855 2.397 -5.059 1.00 0.00 C ATOM 868 C LYS A 58 -2.235 3.563 -5.823 1.00 0.00 C ATOM 869 O LYS A 58 -1.955 3.456 -7.016 1.00 0.00 O ATOM 870 CB LYS A 58 -4.222 2.805 -4.506 1.00 0.00 C ATOM 871 CG LYS A 58 -5.210 1.655 -4.417 1.00 0.00 C ATOM 872 CD LYS A 58 -6.485 2.069 -3.702 1.00 0.00 C ATOM 873 CE LYS A 58 -7.351 2.961 -4.578 1.00 0.00 C ATOM 874 NZ LYS A 58 -7.996 2.197 -5.682 1.00 0.00 N ATOM 0 H LYS A 58 -2.305 2.218 -3.044 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.983 1.562 -5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.089 3.236 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.642 3.586 -5.140 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.452 1.304 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.751 0.820 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.048 1.180 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.233 2.596 -2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.119 3.434 -3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.740 3.760 -4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.740 2.778 -6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.283 1.953 -6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.417 1.325 -5.301 1.00 0.00 H new ATOM 888 N ASN A 59 -2.023 4.675 -5.127 1.00 0.00 N ATOM 889 CA ASN A 59 -1.435 5.860 -5.740 1.00 0.00 C ATOM 890 C ASN A 59 -0.398 5.472 -6.790 1.00 0.00 C ATOM 891 O ASN A 59 -0.418 5.976 -7.914 1.00 0.00 O ATOM 892 CB ASN A 59 -0.789 6.745 -4.672 1.00 0.00 C ATOM 893 CG ASN A 59 -1.754 7.773 -4.112 1.00 0.00 C ATOM 894 OD1 ASN A 59 -2.578 8.328 -4.840 1.00 0.00 O ATOM 895 ND2 ASN A 59 -1.655 8.032 -2.813 1.00 0.00 N ATOM 0 H ASN A 59 -2.250 4.780 -4.138 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.232 6.418 -6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.418 6.119 -3.861 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.074 7.256 -5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.277 8.715 -2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.957 7.548 -2.248 1.00 0.00 H new ATOM 902 N LEU A 60 0.506 4.574 -6.416 1.00 0.00 N ATOM 903 CA LEU A 60 1.551 4.117 -7.325 1.00 0.00 C ATOM 904 C LEU A 60 0.948 3.457 -8.561 1.00 0.00 C ATOM 905 O LEU A 60 1.344 3.751 -9.689 1.00 0.00 O ATOM 906 CB LEU A 60 2.482 3.135 -6.612 1.00 0.00 C ATOM 907 CG LEU A 60 3.280 3.699 -5.436 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.901 2.574 -4.623 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.353 4.658 -5.931 1.00 0.00 C ATOM 0 H LEU A 60 0.537 4.148 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 60 2.126 4.987 -7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.886 2.297 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.185 2.735 -7.343 1.00 0.00 H new ATOM 0 HG LEU A 60 2.597 4.251 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.465 2.995 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.114 1.926 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.570 1.993 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.911 5.050 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.033 4.130 -6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.884 5.482 -6.468 1.00 0.00 H new ATOM 921 N GLU A 61 -0.014 2.566 -8.340 1.00 0.00 N ATOM 922 CA GLU A 61 -0.672 1.867 -9.437 1.00 0.00 C ATOM 923 C GLU A 61 -1.196 2.854 -10.476 1.00 0.00 C ATOM 924 O GLU A 61 -1.443 2.489 -11.626 1.00 0.00 O ATOM 925 CB GLU A 61 -1.824 1.010 -8.906 1.00 0.00 C ATOM 926 CG GLU A 61 -1.367 -0.273 -8.233 1.00 0.00 C ATOM 927 CD GLU A 61 -2.527 -1.155 -7.811 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.427 -0.654 -7.105 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.535 -2.346 -8.187 1.00 0.00 O ATOM 0 H GLU A 61 -0.354 2.312 -7.413 1.00 0.00 H new ATOM 0 HA GLU A 61 0.064 1.220 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.404 1.597 -8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.490 0.760 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.723 -0.828 -8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.766 -0.026 -7.358 1.00 0.00 H new ATOM 936 N SER A 62 -1.363 4.106 -10.063 1.00 0.00 N ATOM 937 CA SER A 62 -1.861 5.146 -10.956 1.00 0.00 C ATOM 938 C SER A 62 -0.712 5.810 -11.709 1.00 0.00 C ATOM 939 O SER A 62 -0.868 6.234 -12.855 1.00 0.00 O ATOM 940 CB SER A 62 -2.641 6.197 -10.164 1.00 0.00 C ATOM 941 OG SER A 62 -3.646 6.795 -10.964 1.00 0.00 O ATOM 0 H SER A 62 -1.161 4.425 -9.116 1.00 0.00 H new ATOM 0 HA SER A 62 -2.527 4.680 -11.682 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.096 5.734 -9.289 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.957 6.964 -9.800 1.00 0.00 H new ATOM 0 HG SER A 62 -4.132 7.462 -10.435 1.00 0.00 H new ATOM 947 N LYS A 63 0.442 5.899 -11.058 1.00 0.00 N ATOM 948 CA LYS A 63 1.619 6.510 -11.664 1.00 0.00 C ATOM 949 C LYS A 63 2.349 5.514 -12.560 1.00 0.00 C ATOM 950 O LYS A 63 3.518 5.704 -12.893 1.00 0.00 O ATOM 951 CB LYS A 63 2.567 7.026 -10.579 1.00 0.00 C ATOM 952 CG LYS A 63 1.876 7.861 -9.515 1.00 0.00 C ATOM 953 CD LYS A 63 2.700 7.932 -8.240 1.00 0.00 C ATOM 954 CE LYS A 63 2.430 9.217 -7.473 1.00 0.00 C ATOM 955 NZ LYS A 63 1.317 9.055 -6.496 1.00 0.00 N ATOM 0 H LYS A 63 0.588 5.555 -10.109 1.00 0.00 H new ATOM 0 HA LYS A 63 1.287 7.348 -12.277 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.056 6.177 -10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.350 7.623 -11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.705 8.868 -9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.898 7.434 -9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.469 7.074 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.760 7.870 -8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.334 9.523 -6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.185 10.014 -8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.860 9.975 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.619 8.383 -6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.694 8.694 -5.597 1.00 0.00 H new ATOM 969 N LYS A 64 1.650 4.452 -12.948 1.00 0.00 N ATOM 970 CA LYS A 64 2.230 3.427 -13.808 1.00 0.00 C ATOM 971 C LYS A 64 3.529 2.890 -13.215 1.00 0.00 C ATOM 972 O LYS A 64 4.484 2.608 -13.939 1.00 0.00 O ATOM 973 CB LYS A 64 2.491 3.993 -15.206 1.00 0.00 C ATOM 974 CG LYS A 64 1.258 4.594 -15.858 1.00 0.00 C ATOM 975 CD LYS A 64 0.468 3.548 -16.627 1.00 0.00 C ATOM 976 CE LYS A 64 -0.706 4.170 -17.368 1.00 0.00 C ATOM 977 NZ LYS A 64 -1.647 3.137 -17.882 1.00 0.00 N ATOM 0 H LYS A 64 0.681 4.279 -12.680 1.00 0.00 H new ATOM 0 HA LYS A 64 1.518 2.605 -13.882 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.266 4.757 -15.141 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.879 3.199 -15.844 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.623 5.042 -15.094 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.557 5.395 -16.534 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.124 3.046 -17.338 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.103 2.787 -15.938 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.239 4.847 -16.701 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.335 4.769 -18.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.790 3.275 -18.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.250 2.191 -17.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.559 3.223 -17.390 1.00 0.00 H new ATOM 991 N LEU A 65 3.557 2.749 -11.894 1.00 0.00 N ATOM 992 CA LEU A 65 4.738 2.244 -11.203 1.00 0.00 C ATOM 993 C LEU A 65 4.536 0.796 -10.767 1.00 0.00 C ATOM 994 O LEU A 65 5.487 0.015 -10.716 1.00 0.00 O ATOM 995 CB LEU A 65 5.054 3.116 -9.987 1.00 0.00 C ATOM 996 CG LEU A 65 5.331 4.592 -10.273 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.483 5.368 -8.974 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.576 4.744 -11.136 1.00 0.00 C ATOM 0 H LEU A 65 2.775 2.977 -11.280 1.00 0.00 H new ATOM 0 HA LEU A 65 5.578 2.281 -11.896 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.217 3.052 -9.292 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.922 2.696 -9.480 1.00 0.00 H new ATOM 0 HG LEU A 65 4.482 5.002 -10.820 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.680 6.417 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.565 5.287 -8.392 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.314 4.957 -8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.758 5.801 -11.329 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.434 4.318 -10.616 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.429 4.222 -12.082 1.00 0.00 H new ATOM 1010 N ILE A 66 3.293 0.446 -10.456 1.00 0.00 N ATOM 1011 CA ILE A 66 2.967 -0.909 -10.027 1.00 0.00 C ATOM 1012 C ILE A 66 1.560 -1.301 -10.467 1.00 0.00 C ATOM 1013 O ILE A 66 0.837 -0.499 -11.058 1.00 0.00 O ATOM 1014 CB ILE A 66 3.074 -1.057 -8.498 1.00 0.00 C ATOM 1015 CG1 ILE A 66 2.024 -0.187 -7.804 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.472 -0.685 -8.027 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.682 -0.652 -6.406 1.00 0.00 C ATOM 0 H ILE A 66 2.495 1.081 -10.493 1.00 0.00 H new ATOM 0 HA ILE A 66 3.692 -1.572 -10.499 1.00 0.00 H new ATOM 0 HB ILE A 66 2.887 -2.098 -8.235 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.387 0.840 -7.758 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.116 -0.177 -8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.532 -0.795 -6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.202 -1.342 -8.499 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.685 0.349 -8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.932 0.011 -5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.288 -1.668 -6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.579 -0.635 -5.787 1.00 0.00 H new ATOM 1029 N LYS A 67 1.178 -2.539 -10.174 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.143 -3.038 -10.535 1.00 0.00 C ATOM 1031 C LYS A 67 -0.610 -4.105 -9.551 1.00 0.00 C ATOM 1032 O LYS A 67 0.193 -4.676 -8.813 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.124 -3.611 -11.954 1.00 0.00 C ATOM 1034 CG LYS A 67 1.116 -4.433 -12.261 1.00 0.00 C ATOM 1035 CD LYS A 67 1.086 -4.981 -13.678 1.00 0.00 C ATOM 1036 CE LYS A 67 1.832 -6.302 -13.781 1.00 0.00 C ATOM 1037 NZ LYS A 67 1.705 -6.907 -15.136 1.00 0.00 N ATOM 0 H LYS A 67 1.765 -3.216 -9.687 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.842 -2.203 -10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.007 -4.234 -12.097 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.192 -2.791 -12.669 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.005 -3.816 -12.127 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.191 -5.258 -11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.052 -5.120 -13.993 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.532 -4.256 -14.359 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.886 -6.143 -13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.445 -6.997 -13.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.227 -7.806 -15.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.701 -7.083 -15.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.097 -6.255 -15.845 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.912 -4.371 -9.546 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.484 -5.373 -8.655 1.00 0.00 C ATOM 1053 C ALA A 68 -2.756 -6.677 -9.397 1.00 0.00 C ATOM 1054 O ALA A 68 -3.522 -6.707 -10.361 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.764 -4.847 -8.023 1.00 0.00 C ATOM 0 H ALA A 68 -2.591 -3.906 -10.149 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.760 -5.578 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.181 -5.605 -7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.544 -3.946 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.486 -4.612 -8.805 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.123 -7.754 -8.943 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.297 -9.062 -9.563 1.00 0.00 C ATOM 1063 C VAL A 69 -3.002 -10.029 -8.619 1.00 0.00 C ATOM 1064 O VAL A 69 -2.807 -9.982 -7.404 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.946 -9.667 -9.985 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -1.142 -11.058 -10.568 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.242 -8.757 -10.981 1.00 0.00 C ATOM 0 H VAL A 69 -1.485 -7.746 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.912 -8.912 -10.450 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.316 -9.756 -9.100 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.176 -11.469 -10.861 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.600 -11.705 -9.820 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.790 -10.998 -11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.711 -9.201 -11.268 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.866 -8.634 -11.866 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.066 -7.784 -10.523 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.115 -8.716 -4.479 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.674 -8.661 -4.692 1.00 0.00 C ATOM 1225 C VAL A 79 -0.292 -7.468 -5.560 1.00 0.00 C ATOM 1226 O VAL A 79 -0.984 -7.141 -6.525 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.155 -9.951 -5.354 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.362 -9.921 -5.466 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.615 -11.173 -4.573 1.00 0.00 C ATOM 0 HA VAL A 79 -0.213 -8.554 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.569 -10.014 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.710 -10.841 -5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.665 -9.067 -6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.799 -9.834 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.239 -12.076 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.231 -11.119 -3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.704 -11.201 -4.550 1.00 0.00 H new ATOM 1239 N TYR A 80 0.815 -6.820 -5.212 1.00 0.00 N ATOM 1240 CA TYR A 80 1.289 -5.661 -5.959 1.00 0.00 C ATOM 1241 C TYR A 80 2.723 -5.869 -6.435 1.00 0.00 C ATOM 1242 O TYR A 80 3.594 -6.266 -5.662 1.00 0.00 O ATOM 1243 CB TYR A 80 1.204 -4.402 -5.094 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.207 -4.034 -4.696 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -1.034 -3.331 -5.562 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.714 -4.392 -3.452 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.324 -2.993 -5.202 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.003 -4.059 -3.084 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.804 -3.359 -3.962 1.00 0.00 C ATOM 1250 OH TYR A 80 -4.089 -3.025 -3.600 1.00 0.00 O ATOM 0 H TYR A 80 1.400 -7.078 -4.418 1.00 0.00 H new ATOM 0 HA TYR A 80 0.650 -5.537 -6.833 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.800 -4.550 -4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.648 -3.568 -5.637 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.662 -3.043 -6.534 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.090 -4.940 -2.762 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.953 -2.445 -5.888 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.382 -4.345 -2.114 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.271 -3.358 -2.696 1.00 0.00 H new ATOM 1260 N MET A 81 2.960 -5.597 -7.714 1.00 0.00 N ATOM 1261 CA MET A 81 4.289 -5.753 -8.294 1.00 0.00 C ATOM 1262 C MET A 81 4.578 -4.639 -9.296 1.00 0.00 C ATOM 1263 O MET A 81 3.723 -3.795 -9.565 1.00 0.00 O ATOM 1264 CB MET A 81 4.414 -7.115 -8.979 1.00 0.00 C ATOM 1265 CG MET A 81 3.696 -7.192 -10.317 1.00 0.00 C ATOM 1266 SD MET A 81 3.945 -8.772 -11.149 1.00 0.00 S ATOM 1267 CE MET A 81 3.028 -9.870 -10.071 1.00 0.00 C ATOM 0 H MET A 81 2.250 -5.268 -8.368 1.00 0.00 H new ATOM 0 HA MET A 81 5.020 -5.692 -7.487 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.470 -7.341 -9.129 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.014 -7.883 -8.317 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.629 -7.032 -10.162 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.049 -6.387 -10.961 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.737 -10.763 -10.624 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.653 -10.155 -9.225 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.135 -9.361 -9.707 1.00 0.00 H new ATOM 1277 N LEU A 82 5.788 -4.643 -9.845 1.00 0.00 N ATOM 1278 CA LEU A 82 6.190 -3.632 -10.817 1.00 0.00 C ATOM 1279 C LEU A 82 5.241 -3.618 -12.011 1.00 0.00 C ATOM 1280 O LEU A 82 4.782 -4.666 -12.465 1.00 0.00 O ATOM 1281 CB LEU A 82 7.621 -3.894 -11.291 1.00 0.00 C ATOM 1282 CG LEU A 82 8.734 -3.456 -10.339 1.00 0.00 C ATOM 1283 CD1 LEU A 82 9.982 -4.298 -10.554 1.00 0.00 C ATOM 1284 CD2 LEU A 82 9.046 -1.979 -10.526 1.00 0.00 C ATOM 0 H LEU A 82 6.507 -5.335 -9.634 1.00 0.00 H new ATOM 0 HA LEU A 82 6.147 -2.657 -10.331 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.730 -4.962 -11.479 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.765 -3.386 -12.245 1.00 0.00 H new ATOM 0 HG LEU A 82 8.391 -3.607 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.764 -3.972 -9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.750 -5.347 -10.368 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.328 -4.180 -11.581 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.841 -1.685 -9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.369 -1.802 -11.552 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.153 -1.389 -10.320 1.00 0.00 H new ATOM 1296 N TYR A 83 4.954 -2.423 -12.517 1.00 0.00 N ATOM 1297 CA TYR A 83 4.059 -2.272 -13.658 1.00 0.00 C ATOM 1298 C TYR A 83 4.689 -2.847 -14.923 1.00 0.00 C ATOM 1299 O TYR A 83 4.041 -3.573 -15.677 1.00 0.00 O ATOM 1300 CB TYR A 83 3.716 -0.797 -13.871 1.00 0.00 C ATOM 1301 CG TYR A 83 2.566 -0.575 -14.828 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.313 -1.119 -14.578 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.733 0.181 -15.982 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.260 -0.920 -15.449 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.686 0.387 -16.859 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.451 -0.166 -16.588 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.595 0.037 -17.458 1.00 0.00 O ATOM 0 H TYR A 83 5.328 -1.546 -12.155 1.00 0.00 H new ATOM 0 HA TYR A 83 3.143 -2.824 -13.446 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.469 -0.347 -12.909 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.597 -0.278 -14.249 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.159 -1.708 -13.686 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.698 0.615 -16.197 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.707 -1.352 -15.240 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.833 0.977 -17.751 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.440 0.029 -16.961 1.00 0.00 H new ATOM 1317 N ASN A 84 5.956 -2.518 -15.148 1.00 0.00 N ATOM 1318 CA ASN A 84 6.675 -3.001 -16.322 1.00 0.00 C ATOM 1319 C ASN A 84 6.755 -4.525 -16.321 1.00 0.00 C ATOM 1320 O ASN A 84 6.612 -5.165 -17.364 1.00 0.00 O ATOM 1321 CB ASN A 84 8.084 -2.406 -16.364 1.00 0.00 C ATOM 1322 CG ASN A 84 8.887 -2.905 -17.549 1.00 0.00 C ATOM 1323 OD1 ASN A 84 8.354 -3.564 -18.441 1.00 0.00 O ATOM 1324 ND2 ASN A 84 10.178 -2.592 -17.563 1.00 0.00 N ATOM 0 H ASN A 84 6.507 -1.919 -14.533 1.00 0.00 H new ATOM 0 HA ASN A 84 6.127 -2.683 -17.209 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.015 -1.319 -16.407 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.609 -2.656 -15.442 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.769 -2.900 -18.335 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.578 -2.043 -16.802 1.00 0.00 H new