USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 635 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 417 HIS : no HD1:sc= -0.71 K(o=-2.1,f=-2.8) USER MOD Set 1.2: A 421 CYS SG : rot -122:sc= 0.355 USER MOD Set 1.3: A 426 CYS SG : rot 151:sc= -0.455 USER MOD Set 1.4: A 429 CYS SG : rot 73:sc= -1.29 USER MOD Set 2.1: A 416 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 420 ASN : amide:sc= 0.851 K(o=0.85,f=0) USER MOD Set 3.1: A 393 HIS : no HE2:sc= -1.13 X(o=-1.7,f=-2.2) USER MOD Set 3.2: A 396 HIS : no HE2:sc= -0.927 X(o=-1.7,f=-2.1) USER MOD Set 3.3: A 397 CYS SG : rot 107:sc= -0.0448 USER MOD Set 3.4: A 403 CYS SG : rot -60:sc= 0.589 USER MOD Set 3.5: A 408 CYS SG : rot -144:sc= -0.171 USER MOD Set 4.1: A 394 MET CE :methyl -179:sc= -0.252 (180deg=-0.224) USER MOD Set 4.2: A 411 SER OG : rot -45:sc= 1.18 USER MOD Set 5.1: A 362 HIS :FLIP no HD1:sc= 0.104 F(o=0.56,f=2.8) USER MOD Set 5.2: A 366 CYS SG : rot -154:sc= 0.128 USER MOD Set 5.3: A 367 GLN : amide:sc= 0.549 K(o=2.8,f=-7.7!) USER MOD Set 5.4: A 384 CYS SG : rot 85:sc= 0.681 USER MOD Set 5.5: A 388 LYS NZ :NH3+ 165:sc= 1.32! (180deg=0.739) USER MOD Set 6.1: A 355 GLN : amide:sc= 0.67 K(o=0.82,f=-5!) USER MOD Set 6.2: A 356 GLN : amide:sc= 0.315 K(o=0.82,f=-1.9) USER MOD Set 6.3: A 387 MET CE :methyl -177:sc= -0.166 (180deg=-0.0877) USER MOD Single : A 349 LYS NZ :NH3+ -155:sc= 1.26 (180deg=0.867) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 354 GLN : amide:sc= 0.17 X(o=0.17,f=0) USER MOD Single : A 364 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 GLN : amide:sc= 0.484 K(o=0.48,f=-0.017) USER MOD Single : A 383 HIS : no HD1:sc= -0.0155 X(o=-0.016,f=-0.016) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 392 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 395 THR OG1 : rot 180:sc= 0 USER MOD Single : A 398 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 GLN : amide:sc= 0.931 K(o=0.93,f=-0.028) USER MOD Single : A 407 HIS : no HD1:sc=-0.00359 X(o=-0.0036,f=-0.0036) USER MOD Single : A 410 SER OG : rot 84:sc= 0.845 USER MOD Single : A 413 GLN : amide:sc= -0.0461 X(o=-0.046,f=-0.093) USER MOD Single : A 419 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00184) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 HIS : no HE2:sc= 0.479 K(o=0.48,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 347 4.119 -16.117 15.457 1.00 0.00 N ATOM 85 CA PRO A 347 3.526 -14.787 15.640 1.00 0.00 C ATOM 86 C PRO A 347 4.304 -13.641 14.988 1.00 0.00 C ATOM 87 O PRO A 347 3.696 -12.746 14.411 1.00 0.00 O ATOM 88 CB PRO A 347 3.387 -14.596 17.157 1.00 0.00 C ATOM 89 CG PRO A 347 3.386 -16.025 17.702 1.00 0.00 C ATOM 90 CD PRO A 347 4.340 -16.740 16.748 1.00 0.00 C ATOM 0 HA PRO A 347 2.564 -14.748 15.128 1.00 0.00 H new ATOM 0 HB2 PRO A 347 4.212 -14.012 17.565 1.00 0.00 H new ATOM 0 HB3 PRO A 347 2.467 -14.069 17.412 1.00 0.00 H new ATOM 0 HG2 PRO A 347 3.736 -16.067 18.733 1.00 0.00 H new ATOM 0 HG3 PRO A 347 2.389 -16.465 17.686 1.00 0.00 H new ATOM 0 HD2 PRO A 347 5.376 -16.627 17.068 1.00 0.00 H new ATOM 0 HD3 PRO A 347 4.132 -17.809 16.711 1.00 0.00 H new ATOM 98 N GLU A 348 5.638 -13.674 15.015 1.00 0.00 N ATOM 99 CA GLU A 348 6.506 -12.671 14.373 1.00 0.00 C ATOM 100 C GLU A 348 6.248 -12.586 12.862 1.00 0.00 C ATOM 101 O GLU A 348 6.157 -11.497 12.293 1.00 0.00 O ATOM 102 CB GLU A 348 7.992 -12.940 14.684 1.00 0.00 C ATOM 103 CG GLU A 348 8.454 -14.392 14.481 1.00 0.00 C ATOM 104 CD GLU A 348 9.990 -14.496 14.468 1.00 0.00 C ATOM 105 OE1 GLU A 348 10.618 -14.491 15.555 1.00 0.00 O ATOM 106 OE2 GLU A 348 10.574 -14.600 13.361 1.00 0.00 O ATOM 0 H GLU A 348 6.160 -14.410 15.491 1.00 0.00 H new ATOM 0 HA GLU A 348 6.255 -11.698 14.795 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.601 -12.291 14.055 1.00 0.00 H new ATOM 0 HB3 GLU A 348 8.187 -12.655 15.718 1.00 0.00 H new ATOM 0 HG2 GLU A 348 8.052 -15.018 15.278 1.00 0.00 H new ATOM 0 HG3 GLU A 348 8.054 -14.775 13.542 1.00 0.00 H new ATOM 113 N LYS A 349 6.028 -13.733 12.218 1.00 0.00 N ATOM 114 CA LYS A 349 5.672 -13.816 10.806 1.00 0.00 C ATOM 115 C LYS A 349 4.290 -13.206 10.615 1.00 0.00 C ATOM 116 O LYS A 349 4.162 -12.354 9.755 1.00 0.00 O ATOM 117 CB LYS A 349 5.770 -15.266 10.306 1.00 0.00 C ATOM 118 CG LYS A 349 7.145 -15.615 9.710 1.00 0.00 C ATOM 119 CD LYS A 349 8.292 -15.609 10.733 1.00 0.00 C ATOM 120 CE LYS A 349 9.629 -15.908 10.044 1.00 0.00 C ATOM 121 NZ LYS A 349 10.716 -16.117 11.037 1.00 0.00 N ATOM 0 H LYS A 349 6.094 -14.644 12.673 1.00 0.00 H new ATOM 0 HA LYS A 349 6.376 -13.246 10.199 1.00 0.00 H new ATOM 0 HB2 LYS A 349 5.559 -15.943 11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 349 5.002 -15.435 9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 349 7.089 -16.601 9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 349 7.376 -14.904 8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 349 8.340 -14.639 11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 349 8.101 -16.353 11.507 1.00 0.00 H new ATOM 0 HE2 LYS A 349 9.528 -16.796 9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 349 9.892 -15.082 9.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 11.633 -15.898 10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 10.564 -15.492 11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 10.712 -17.108 11.353 1.00 0.00 H new ATOM 135 N ARG A 350 3.282 -13.540 11.433 1.00 0.00 N ATOM 136 CA ARG A 350 1.933 -12.926 11.365 1.00 0.00 C ATOM 137 C ARG A 350 1.976 -11.396 11.287 1.00 0.00 C ATOM 138 O ARG A 350 1.461 -10.830 10.318 1.00 0.00 O ATOM 139 CB ARG A 350 1.027 -13.400 12.526 1.00 0.00 C ATOM 140 CG ARG A 350 0.885 -14.913 12.762 1.00 0.00 C ATOM 141 CD ARG A 350 0.395 -15.745 11.572 1.00 0.00 C ATOM 142 NE ARG A 350 1.505 -16.336 10.796 1.00 0.00 N ATOM 143 CZ ARG A 350 1.676 -16.332 9.489 1.00 0.00 C ATOM 144 NH1 ARG A 350 0.867 -15.711 8.675 1.00 0.00 N ATOM 145 NH2 ARG A 350 2.674 -16.973 8.960 1.00 0.00 N ATOM 0 H ARG A 350 3.372 -14.245 12.165 1.00 0.00 H new ATOM 0 HA ARG A 350 1.492 -13.274 10.431 1.00 0.00 H new ATOM 0 HB2 ARG A 350 1.403 -12.953 13.446 1.00 0.00 H new ATOM 0 HB3 ARG A 350 0.030 -12.994 12.358 1.00 0.00 H new ATOM 0 HG2 ARG A 350 1.854 -15.302 13.075 1.00 0.00 H new ATOM 0 HG3 ARG A 350 0.196 -15.066 13.593 1.00 0.00 H new ATOM 0 HD2 ARG A 350 -0.255 -16.542 11.934 1.00 0.00 H new ATOM 0 HD3 ARG A 350 -0.207 -15.115 10.917 1.00 0.00 H new ATOM 0 HE ARG A 350 2.229 -16.806 11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 350 0.064 -15.202 9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 350 1.038 -15.734 7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 350 3.327 -17.481 9.556 1.00 0.00 H new ATOM 0 HH22 ARG A 350 2.804 -16.969 7.948 1.00 0.00 H new ATOM 159 N LYS A 351 2.604 -10.736 12.267 1.00 0.00 N ATOM 160 CA LYS A 351 2.729 -9.260 12.324 1.00 0.00 C ATOM 161 C LYS A 351 3.552 -8.680 11.175 1.00 0.00 C ATOM 162 O LYS A 351 3.039 -7.822 10.457 1.00 0.00 O ATOM 163 CB LYS A 351 3.243 -8.727 13.682 1.00 0.00 C ATOM 164 CG LYS A 351 3.912 -9.767 14.583 1.00 0.00 C ATOM 165 CD LYS A 351 4.711 -9.124 15.720 1.00 0.00 C ATOM 166 CE LYS A 351 4.883 -10.092 16.897 1.00 0.00 C ATOM 167 NZ LYS A 351 5.696 -9.482 17.983 1.00 0.00 N ATOM 0 H LYS A 351 3.047 -11.209 13.055 1.00 0.00 H new ATOM 0 HA LYS A 351 1.704 -8.906 12.210 1.00 0.00 H new ATOM 0 HB2 LYS A 351 3.955 -7.924 13.492 1.00 0.00 H new ATOM 0 HB3 LYS A 351 2.404 -8.289 14.222 1.00 0.00 H new ATOM 0 HG2 LYS A 351 3.150 -10.424 15.003 1.00 0.00 H new ATOM 0 HG3 LYS A 351 4.575 -10.391 13.984 1.00 0.00 H new ATOM 0 HD2 LYS A 351 5.690 -8.818 15.352 1.00 0.00 H new ATOM 0 HD3 LYS A 351 4.202 -8.222 16.060 1.00 0.00 H new ATOM 0 HE2 LYS A 351 3.904 -10.373 17.286 1.00 0.00 H new ATOM 0 HE3 LYS A 351 5.363 -11.007 16.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 5.795 -10.160 18.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 6.638 -9.237 17.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 5.224 -8.622 18.328 1.00 0.00 H new ATOM 181 N LEU A 352 4.793 -9.128 10.950 1.00 0.00 N ATOM 182 CA LEU A 352 5.566 -8.606 9.823 1.00 0.00 C ATOM 183 C LEU A 352 4.994 -8.922 8.433 1.00 0.00 C ATOM 184 O LEU A 352 4.970 -8.027 7.599 1.00 0.00 O ATOM 185 CB LEU A 352 7.089 -8.770 9.968 1.00 0.00 C ATOM 186 CG LEU A 352 7.697 -8.745 11.385 1.00 0.00 C ATOM 187 CD1 LEU A 352 9.155 -9.205 11.348 1.00 0.00 C ATOM 188 CD2 LEU A 352 7.657 -7.322 11.945 1.00 0.00 C ATOM 0 H LEU A 352 5.270 -9.830 11.516 1.00 0.00 H new ATOM 0 HA LEU A 352 5.423 -7.527 9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 352 7.367 -9.716 9.504 1.00 0.00 H new ATOM 0 HB3 LEU A 352 7.565 -7.979 9.388 1.00 0.00 H new ATOM 0 HG LEU A 352 7.114 -9.416 12.016 1.00 0.00 H new ATOM 0 HD11 LEU A 352 9.570 -9.182 12.356 1.00 0.00 H new ATOM 0 HD12 LEU A 352 9.206 -10.222 10.958 1.00 0.00 H new ATOM 0 HD13 LEU A 352 9.730 -8.540 10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 352 8.088 -7.313 12.946 1.00 0.00 H new ATOM 0 HD22 LEU A 352 8.231 -6.660 11.297 1.00 0.00 H new ATOM 0 HD23 LEU A 352 6.624 -6.978 11.992 1.00 0.00 H new ATOM 200 N ILE A 353 4.461 -10.118 8.165 1.00 0.00 N ATOM 201 CA ILE A 353 3.861 -10.450 6.854 1.00 0.00 C ATOM 202 C ILE A 353 2.644 -9.563 6.564 1.00 0.00 C ATOM 203 O ILE A 353 2.548 -8.953 5.490 1.00 0.00 O ATOM 204 CB ILE A 353 3.574 -11.971 6.757 1.00 0.00 C ATOM 205 CG1 ILE A 353 3.781 -12.513 5.334 1.00 0.00 C ATOM 206 CG2 ILE A 353 2.199 -12.428 7.283 1.00 0.00 C ATOM 207 CD1 ILE A 353 3.986 -14.036 5.309 1.00 0.00 C ATOM 0 H ILE A 353 4.429 -10.883 8.839 1.00 0.00 H new ATOM 0 HA ILE A 353 4.576 -10.228 6.062 1.00 0.00 H new ATOM 0 HB ILE A 353 4.314 -12.400 7.432 1.00 0.00 H new ATOM 0 HG12 ILE A 353 2.917 -12.256 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 353 4.647 -12.026 4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 353 2.105 -13.508 7.167 1.00 0.00 H new ATOM 0 HG22 ILE A 353 2.108 -12.167 8.337 1.00 0.00 H new ATOM 0 HG23 ILE A 353 1.410 -11.932 6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 353 4.128 -14.367 4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 353 4.866 -14.294 5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 353 3.110 -14.528 5.731 1.00 0.00 H new ATOM 219 N GLN A 354 1.743 -9.421 7.548 1.00 0.00 N ATOM 220 CA GLN A 354 0.591 -8.527 7.353 1.00 0.00 C ATOM 221 C GLN A 354 1.020 -7.056 7.209 1.00 0.00 C ATOM 222 O GLN A 354 0.447 -6.326 6.398 1.00 0.00 O ATOM 223 CB GLN A 354 -0.491 -8.735 8.426 1.00 0.00 C ATOM 224 CG GLN A 354 -0.179 -8.168 9.814 1.00 0.00 C ATOM 225 CD GLN A 354 -1.258 -8.539 10.825 1.00 0.00 C ATOM 226 OE1 GLN A 354 -2.092 -7.735 11.222 1.00 0.00 O ATOM 227 NE2 GLN A 354 -1.276 -9.776 11.277 1.00 0.00 N ATOM 0 H GLN A 354 1.784 -9.892 8.452 1.00 0.00 H new ATOM 0 HA GLN A 354 0.130 -8.801 6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -1.418 -8.284 8.071 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -0.675 -9.805 8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 354 0.785 -8.546 10.154 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -0.093 -7.083 9.754 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -0.583 -10.449 10.949 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -1.983 -10.061 11.955 1.00 0.00 H new ATOM 236 N GLN A 355 2.069 -6.622 7.923 1.00 0.00 N ATOM 237 CA GLN A 355 2.581 -5.255 7.830 1.00 0.00 C ATOM 238 C GLN A 355 3.225 -5.005 6.465 1.00 0.00 C ATOM 239 O GLN A 355 3.071 -3.925 5.904 1.00 0.00 O ATOM 240 CB GLN A 355 3.536 -5.008 9.001 1.00 0.00 C ATOM 241 CG GLN A 355 4.341 -3.694 8.985 1.00 0.00 C ATOM 242 CD GLN A 355 5.780 -3.836 8.469 1.00 0.00 C ATOM 243 OE1 GLN A 355 6.094 -4.551 7.527 1.00 0.00 O ATOM 244 NE2 GLN A 355 6.730 -3.156 9.076 1.00 0.00 N ATOM 0 H GLN A 355 2.583 -7.211 8.579 1.00 0.00 H new ATOM 0 HA GLN A 355 1.764 -4.538 7.905 1.00 0.00 H new ATOM 0 HB2 GLN A 355 2.955 -5.038 9.923 1.00 0.00 H new ATOM 0 HB3 GLN A 355 4.242 -5.837 9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 355 3.816 -2.968 8.364 1.00 0.00 H new ATOM 0 HG3 GLN A 355 4.369 -3.287 9.996 1.00 0.00 H new ATOM 0 HE21 GLN A 355 6.500 -2.551 9.865 1.00 0.00 H new ATOM 0 HE22 GLN A 355 7.696 -3.234 8.758 1.00 0.00 H new ATOM 253 N GLN A 356 3.925 -6.001 5.919 1.00 0.00 N ATOM 254 CA GLN A 356 4.654 -5.893 4.661 1.00 0.00 C ATOM 255 C GLN A 356 3.622 -5.681 3.557 1.00 0.00 C ATOM 256 O GLN A 356 3.755 -4.755 2.762 1.00 0.00 O ATOM 257 CB GLN A 356 5.325 -7.235 4.363 1.00 0.00 C ATOM 258 CG GLN A 356 6.732 -7.350 4.964 1.00 0.00 C ATOM 259 CD GLN A 356 7.722 -6.275 4.526 1.00 0.00 C ATOM 260 OE1 GLN A 356 8.415 -6.406 3.527 1.00 0.00 O ATOM 261 NE2 GLN A 356 7.837 -5.186 5.259 1.00 0.00 N ATOM 0 H GLN A 356 4.000 -6.922 6.350 1.00 0.00 H new ATOM 0 HA GLN A 356 5.386 -5.087 4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 356 4.703 -8.040 4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 356 5.385 -7.373 3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 356 6.648 -7.321 6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 356 7.142 -8.325 4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 356 7.262 -5.070 6.094 1.00 0.00 H new ATOM 0 HE22 GLN A 356 8.501 -4.459 4.992 1.00 0.00 H new ATOM 270 N LEU A 357 2.579 -6.530 3.536 1.00 0.00 N ATOM 271 CA LEU A 357 1.493 -6.439 2.562 1.00 0.00 C ATOM 272 C LEU A 357 0.805 -5.058 2.678 1.00 0.00 C ATOM 273 O LEU A 357 0.657 -4.348 1.686 1.00 0.00 O ATOM 274 CB LEU A 357 0.520 -7.610 2.830 1.00 0.00 C ATOM 275 CG LEU A 357 -0.227 -8.138 1.593 1.00 0.00 C ATOM 276 CD1 LEU A 357 -1.399 -9.020 2.006 1.00 0.00 C ATOM 277 CD2 LEU A 357 -0.708 -7.023 0.688 1.00 0.00 C ATOM 0 H LEU A 357 2.472 -7.298 4.199 1.00 0.00 H new ATOM 0 HA LEU A 357 1.863 -6.520 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 357 1.080 -8.432 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 357 -0.215 -7.289 3.569 1.00 0.00 H new ATOM 0 HG LEU A 357 0.488 -8.733 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -1.913 -9.382 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 357 -1.030 -9.868 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -2.093 -8.441 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -1.228 -7.449 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -1.388 -6.374 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 357 0.146 -6.441 0.341 1.00 0.00 H new ATOM 289 N VAL A 358 0.430 -4.626 3.886 1.00 0.00 N ATOM 290 CA VAL A 358 -0.208 -3.310 4.113 1.00 0.00 C ATOM 291 C VAL A 358 0.680 -2.127 3.666 1.00 0.00 C ATOM 292 O VAL A 358 0.173 -1.160 3.090 1.00 0.00 O ATOM 293 CB VAL A 358 -0.644 -3.207 5.590 1.00 0.00 C ATOM 294 CG1 VAL A 358 -1.092 -1.801 6.009 1.00 0.00 C ATOM 295 CG2 VAL A 358 -1.821 -4.163 5.868 1.00 0.00 C ATOM 0 H VAL A 358 0.557 -5.172 4.738 1.00 0.00 H new ATOM 0 HA VAL A 358 -1.094 -3.240 3.483 1.00 0.00 H new ATOM 0 HB VAL A 358 0.242 -3.470 6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 358 -1.383 -1.810 7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 358 -0.270 -1.099 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 358 -1.942 -1.493 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 358 -2.118 -4.080 6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 358 -2.664 -3.898 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 358 -1.515 -5.188 5.658 1.00 0.00 H new ATOM 305 N LEU A 359 2.003 -2.202 3.853 1.00 0.00 N ATOM 306 CA LEU A 359 2.961 -1.162 3.429 1.00 0.00 C ATOM 307 C LEU A 359 3.171 -1.178 1.912 1.00 0.00 C ATOM 308 O LEU A 359 3.311 -0.121 1.303 1.00 0.00 O ATOM 309 CB LEU A 359 4.307 -1.321 4.165 1.00 0.00 C ATOM 310 CG LEU A 359 4.478 -0.399 5.386 1.00 0.00 C ATOM 311 CD1 LEU A 359 3.336 -0.481 6.402 1.00 0.00 C ATOM 312 CD2 LEU A 359 5.792 -0.741 6.089 1.00 0.00 C ATOM 0 H LEU A 359 2.450 -2.997 4.310 1.00 0.00 H new ATOM 0 HA LEU A 359 2.534 -0.195 3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.409 -2.356 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.117 -1.126 3.462 1.00 0.00 H new ATOM 0 HG LEU A 359 4.475 0.621 5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 359 3.536 0.199 7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 359 2.399 -0.201 5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 359 3.258 -1.500 6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 359 5.921 -0.092 6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 359 5.770 -1.781 6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 359 6.623 -0.594 5.399 1.00 0.00 H new ATOM 324 N LEU A 360 3.136 -2.357 1.294 1.00 0.00 N ATOM 325 CA LEU A 360 3.187 -2.549 -0.156 1.00 0.00 C ATOM 326 C LEU A 360 1.987 -1.869 -0.816 1.00 0.00 C ATOM 327 O LEU A 360 2.124 -1.143 -1.799 1.00 0.00 O ATOM 328 CB LEU A 360 3.147 -4.064 -0.429 1.00 0.00 C ATOM 329 CG LEU A 360 4.461 -4.731 -0.882 1.00 0.00 C ATOM 330 CD1 LEU A 360 5.747 -4.118 -0.317 1.00 0.00 C ATOM 331 CD2 LEU A 360 4.438 -6.212 -0.494 1.00 0.00 C ATOM 0 H LEU A 360 3.069 -3.237 1.806 1.00 0.00 H new ATOM 0 HA LEU A 360 4.096 -2.110 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 360 2.810 -4.563 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.392 -4.250 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 360 4.494 -4.573 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 360 6.609 -4.664 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 360 5.815 -3.073 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 360 5.732 -4.181 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 360 5.366 -6.686 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 360 4.337 -6.303 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 360 3.594 -6.702 -0.980 1.00 0.00 H new ATOM 343 N LEU A 361 0.800 -2.082 -0.251 1.00 0.00 N ATOM 344 CA LEU A 361 -0.421 -1.465 -0.744 1.00 0.00 C ATOM 345 C LEU A 361 -0.412 0.046 -0.493 1.00 0.00 C ATOM 346 O LEU A 361 -0.813 0.791 -1.388 1.00 0.00 O ATOM 347 CB LEU A 361 -1.627 -2.199 -0.159 1.00 0.00 C ATOM 348 CG LEU A 361 -1.669 -3.680 -0.606 1.00 0.00 C ATOM 349 CD1 LEU A 361 -2.902 -4.342 0.002 1.00 0.00 C ATOM 350 CD2 LEU A 361 -1.750 -3.864 -2.126 1.00 0.00 C ATOM 0 H LEU A 361 0.662 -2.686 0.559 1.00 0.00 H new ATOM 0 HA LEU A 361 -0.490 -1.565 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 361 -1.591 -2.148 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 361 -2.544 -1.699 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 361 -0.737 -4.131 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 361 -2.943 -5.387 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 361 -2.846 -4.286 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 361 -3.799 -3.827 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 361 -1.776 -4.928 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 361 -2.654 -3.386 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 361 -0.877 -3.409 -2.595 1.00 0.00 H new ATOM 362 N HIS A 362 0.129 0.517 0.645 1.00 0.00 N ATOM 363 CA HIS A 362 0.328 1.955 0.851 1.00 0.00 C ATOM 364 C HIS A 362 1.288 2.502 -0.216 1.00 0.00 C ATOM 365 O HIS A 362 1.014 3.545 -0.794 1.00 0.00 O ATOM 366 CB HIS A 362 0.843 2.296 2.260 1.00 0.00 C ATOM 367 CG HIS A 362 0.974 3.795 2.465 1.00 0.00 C ATOM 368 ND1 HIS A 362 1.939 4.613 1.933 1.00 0.00 N flip ATOM 369 CD2 HIS A 362 0.080 4.617 3.116 1.00 0.00 C flip ATOM 370 CE1 HIS A 362 1.614 5.941 2.232 1.00 0.00 C flip ATOM 371 NE2 HIS A 362 0.488 5.892 2.963 1.00 0.00 N flip ATOM 0 H HIS A 362 0.431 -0.070 1.423 1.00 0.00 H new ATOM 0 HA HIS A 362 -0.647 2.432 0.755 1.00 0.00 H new ATOM 0 HB2 HIS A 362 0.162 1.885 3.005 1.00 0.00 H new ATOM 0 HB3 HIS A 362 1.812 1.822 2.418 1.00 0.00 H new ATOM 0 HD2 HIS A 362 -0.798 4.294 3.656 1.00 0.00 H new ATOM 0 HE1 HIS A 362 2.158 6.826 1.935 1.00 0.00 H new ATOM 0 HE2 HIS A 362 0.009 6.706 3.348 1.00 0.00 H new ATOM 379 N ALA A 363 2.391 1.812 -0.521 1.00 0.00 N ATOM 380 CA ALA A 363 3.342 2.235 -1.546 1.00 0.00 C ATOM 381 C ALA A 363 2.678 2.351 -2.931 1.00 0.00 C ATOM 382 O ALA A 363 2.888 3.356 -3.606 1.00 0.00 O ATOM 383 CB ALA A 363 4.550 1.295 -1.529 1.00 0.00 C ATOM 0 H ALA A 363 2.648 0.940 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 363 3.697 3.240 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 363 5.264 1.606 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 363 5.027 1.333 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 363 4.221 0.276 -1.733 1.00 0.00 H new ATOM 389 N HIS A 364 1.843 1.387 -3.345 1.00 0.00 N ATOM 390 CA HIS A 364 1.087 1.441 -4.602 1.00 0.00 C ATOM 391 C HIS A 364 0.191 2.690 -4.648 1.00 0.00 C ATOM 392 O HIS A 364 0.315 3.550 -5.530 1.00 0.00 O ATOM 393 CB HIS A 364 0.235 0.170 -4.736 1.00 0.00 C ATOM 394 CG HIS A 364 -0.707 0.216 -5.915 1.00 0.00 C ATOM 395 ND1 HIS A 364 -0.355 0.236 -7.246 1.00 0.00 N ATOM 396 CD2 HIS A 364 -2.066 0.368 -5.853 1.00 0.00 C ATOM 397 CE1 HIS A 364 -1.475 0.400 -7.971 1.00 0.00 C ATOM 398 NE2 HIS A 364 -2.549 0.496 -7.164 1.00 0.00 N ATOM 0 H HIS A 364 1.672 0.537 -2.808 1.00 0.00 H new ATOM 0 HA HIS A 364 1.788 1.500 -5.435 1.00 0.00 H new ATOM 0 HB2 HIS A 364 0.893 -0.693 -4.836 1.00 0.00 H new ATOM 0 HB3 HIS A 364 -0.342 0.027 -3.822 1.00 0.00 H new ATOM 0 HD2 HIS A 364 -2.662 0.386 -4.953 1.00 0.00 H new ATOM 0 HE1 HIS A 364 -1.509 0.448 -9.049 1.00 0.00 H new ATOM 0 HE2 HIS A 364 -3.519 0.634 -7.449 1.00 0.00 H new ATOM 406 N LYS A 365 -0.662 2.805 -3.624 1.00 0.00 N ATOM 407 CA LYS A 365 -1.547 3.950 -3.344 1.00 0.00 C ATOM 408 C LYS A 365 -0.829 5.281 -3.493 1.00 0.00 C ATOM 409 O LYS A 365 -1.242 6.153 -4.254 1.00 0.00 O ATOM 410 CB LYS A 365 -2.081 3.777 -1.903 1.00 0.00 C ATOM 411 CG LYS A 365 -2.404 5.065 -1.116 1.00 0.00 C ATOM 412 CD LYS A 365 -2.957 4.662 0.259 1.00 0.00 C ATOM 413 CE LYS A 365 -3.728 5.832 0.884 1.00 0.00 C ATOM 414 NZ LYS A 365 -4.715 5.351 1.880 1.00 0.00 N ATOM 0 H LYS A 365 -0.762 2.065 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 365 -2.363 3.964 -4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 365 -2.986 3.171 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 365 -1.345 3.209 -1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 365 -1.508 5.675 -1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 365 -3.133 5.668 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 365 -3.614 3.798 0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 365 -2.139 4.364 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 365 -3.029 6.518 1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 365 -4.240 6.393 0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 -5.222 6.163 2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 -5.395 4.716 1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 -4.222 4.837 2.637 1.00 0.00 H new ATOM 428 N CYS A 366 0.235 5.418 -2.716 1.00 0.00 N ATOM 429 CA CYS A 366 1.014 6.618 -2.569 1.00 0.00 C ATOM 430 C CYS A 366 1.854 6.910 -3.823 1.00 0.00 C ATOM 431 O CYS A 366 2.152 8.068 -4.095 1.00 0.00 O ATOM 432 CB CYS A 366 1.733 6.459 -1.237 1.00 0.00 C ATOM 433 SG CYS A 366 2.591 7.957 -0.718 1.00 0.00 S ATOM 0 H CYS A 366 0.589 4.650 -2.146 1.00 0.00 H new ATOM 0 HA CYS A 366 0.429 7.536 -2.517 1.00 0.00 H new ATOM 0 HB2 CYS A 366 1.010 6.177 -0.471 1.00 0.00 H new ATOM 0 HB3 CYS A 366 2.452 5.643 -1.313 1.00 0.00 H new ATOM 0 HG CYS A 366 3.581 7.642 0.064 1.00 0.00 H new ATOM 438 N GLN A 367 2.197 5.913 -4.646 1.00 0.00 N ATOM 439 CA GLN A 367 2.855 6.140 -5.939 1.00 0.00 C ATOM 440 C GLN A 367 1.847 6.724 -6.939 1.00 0.00 C ATOM 441 O GLN A 367 2.155 7.713 -7.606 1.00 0.00 O ATOM 442 CB GLN A 367 3.510 4.845 -6.454 1.00 0.00 C ATOM 443 CG GLN A 367 4.569 5.104 -7.540 1.00 0.00 C ATOM 444 CD GLN A 367 5.847 5.766 -7.015 1.00 0.00 C ATOM 445 OE1 GLN A 367 5.971 6.151 -5.857 1.00 0.00 O ATOM 446 NE2 GLN A 367 6.853 5.925 -7.847 1.00 0.00 N ATOM 0 H GLN A 367 2.027 4.929 -4.436 1.00 0.00 H new ATOM 0 HA GLN A 367 3.658 6.867 -5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 367 3.974 4.321 -5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 367 2.739 4.187 -6.855 1.00 0.00 H new ATOM 0 HG2 GLN A 367 4.830 4.157 -8.013 1.00 0.00 H new ATOM 0 HG3 GLN A 367 4.135 5.737 -8.314 1.00 0.00 H new ATOM 0 HE21 GLN A 367 6.770 5.611 -8.814 1.00 0.00 H new ATOM 0 HE22 GLN A 367 7.717 6.362 -7.525 1.00 0.00 H new ATOM 455 N ARG A 368 0.616 6.185 -6.994 1.00 0.00 N ATOM 456 CA ARG A 368 -0.473 6.738 -7.827 1.00 0.00 C ATOM 457 C ARG A 368 -0.851 8.149 -7.390 1.00 0.00 C ATOM 458 O ARG A 368 -1.021 9.032 -8.234 1.00 0.00 O ATOM 459 CB ARG A 368 -1.668 5.760 -7.820 1.00 0.00 C ATOM 460 CG ARG A 368 -2.839 6.179 -8.725 1.00 0.00 C ATOM 461 CD ARG A 368 -2.452 6.203 -10.211 1.00 0.00 C ATOM 462 NE ARG A 368 -3.570 6.653 -11.064 1.00 0.00 N ATOM 463 CZ ARG A 368 -3.814 7.888 -11.467 1.00 0.00 C ATOM 464 NH1 ARG A 368 -3.116 8.910 -11.053 1.00 0.00 N ATOM 465 NH2 ARG A 368 -4.779 8.126 -12.309 1.00 0.00 N ATOM 0 H ARG A 368 0.346 5.356 -6.465 1.00 0.00 H new ATOM 0 HA ARG A 368 -0.129 6.837 -8.857 1.00 0.00 H new ATOM 0 HB2 ARG A 368 -1.318 4.776 -8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 368 -2.033 5.659 -6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 368 -3.671 5.490 -8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 368 -3.189 7.168 -8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 368 -1.598 6.865 -10.353 1.00 0.00 H new ATOM 0 HD3 ARG A 368 -2.138 5.206 -10.520 1.00 0.00 H new ATOM 0 HE ARG A 368 -4.224 5.934 -11.375 1.00 0.00 H new ATOM 0 HH11 ARG A 368 -2.350 8.771 -10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 368 -3.337 9.848 -11.388 1.00 0.00 H new ATOM 0 HH21 ARG A 368 -5.350 7.358 -12.660 1.00 0.00 H new ATOM 0 HH22 ARG A 368 -4.963 9.081 -12.617 1.00 0.00 H new ATOM 479 N ARG A 369 -0.919 8.366 -6.080 1.00 0.00 N ATOM 480 CA ARG A 369 -1.198 9.655 -5.440 1.00 0.00 C ATOM 481 C ARG A 369 -0.116 10.684 -5.757 1.00 0.00 C ATOM 482 O ARG A 369 -0.425 11.818 -6.113 1.00 0.00 O ATOM 483 CB ARG A 369 -1.285 9.379 -3.928 1.00 0.00 C ATOM 484 CG ARG A 369 -1.265 10.558 -2.937 1.00 0.00 C ATOM 485 CD ARG A 369 -0.350 10.206 -1.746 1.00 0.00 C ATOM 486 NE ARG A 369 -0.412 11.233 -0.685 1.00 0.00 N ATOM 487 CZ ARG A 369 0.421 11.377 0.335 1.00 0.00 C ATOM 488 NH1 ARG A 369 1.381 10.536 0.582 1.00 0.00 N ATOM 489 NH2 ARG A 369 0.313 12.397 1.136 1.00 0.00 N ATOM 0 H ARG A 369 -0.775 7.617 -5.402 1.00 0.00 H new ATOM 0 HA ARG A 369 -2.130 10.080 -5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 369 -2.204 8.820 -3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 369 -0.456 8.721 -3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 369 -0.905 11.459 -3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 369 -2.275 10.770 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 369 -0.644 9.240 -1.335 1.00 0.00 H new ATOM 0 HD3 ARG A 369 0.678 10.105 -2.095 1.00 0.00 H new ATOM 0 HE ARG A 369 -1.179 11.903 -0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 369 1.516 9.725 -0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 369 1.999 10.687 1.379 1.00 0.00 H new ATOM 0 HH21 ARG A 369 -0.417 13.092 0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 369 0.958 12.501 1.919 1.00 0.00 H new ATOM 503 N GLU A 370 1.150 10.282 -5.649 1.00 0.00 N ATOM 504 CA GLU A 370 2.299 11.138 -5.955 1.00 0.00 C ATOM 505 C GLU A 370 2.266 11.559 -7.423 1.00 0.00 C ATOM 506 O GLU A 370 2.303 12.745 -7.744 1.00 0.00 O ATOM 507 CB GLU A 370 3.590 10.376 -5.643 1.00 0.00 C ATOM 508 CG GLU A 370 4.869 11.196 -5.863 1.00 0.00 C ATOM 509 CD GLU A 370 6.115 10.497 -5.281 1.00 0.00 C ATOM 510 OE1 GLU A 370 6.017 9.829 -4.223 1.00 0.00 O ATOM 511 OE2 GLU A 370 7.225 10.625 -5.845 1.00 0.00 O ATOM 0 H GLU A 370 1.411 9.344 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 370 2.257 12.039 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 370 3.560 10.040 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 370 3.632 9.483 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 370 5.013 11.362 -6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 370 4.755 12.176 -5.400 1.00 0.00 H new ATOM 518 N GLN A 371 2.129 10.575 -8.316 1.00 0.00 N ATOM 519 CA GLN A 371 1.998 10.785 -9.763 1.00 0.00 C ATOM 520 C GLN A 371 0.806 11.701 -10.109 1.00 0.00 C ATOM 521 O GLN A 371 0.888 12.483 -11.060 1.00 0.00 O ATOM 522 CB GLN A 371 1.896 9.415 -10.461 1.00 0.00 C ATOM 523 CG GLN A 371 1.769 9.472 -11.995 1.00 0.00 C ATOM 524 CD GLN A 371 2.967 10.128 -12.684 1.00 0.00 C ATOM 525 OE1 GLN A 371 3.925 9.477 -13.081 1.00 0.00 O ATOM 526 NE2 GLN A 371 2.966 11.434 -12.850 1.00 0.00 N ATOM 0 H GLN A 371 2.105 9.591 -8.050 1.00 0.00 H new ATOM 0 HA GLN A 371 2.885 11.303 -10.128 1.00 0.00 H new ATOM 0 HB2 GLN A 371 2.779 8.828 -10.206 1.00 0.00 H new ATOM 0 HB3 GLN A 371 1.033 8.883 -10.060 1.00 0.00 H new ATOM 0 HG2 GLN A 371 1.649 8.459 -12.379 1.00 0.00 H new ATOM 0 HG3 GLN A 371 0.864 10.021 -12.256 1.00 0.00 H new ATOM 0 HE21 GLN A 371 2.175 11.989 -12.524 1.00 0.00 H new ATOM 0 HE22 GLN A 371 3.757 11.891 -13.304 1.00 0.00 H new ATOM 535 N ALA A 372 -0.285 11.635 -9.336 1.00 0.00 N ATOM 536 CA ALA A 372 -1.477 12.475 -9.518 1.00 0.00 C ATOM 537 C ALA A 372 -1.301 13.952 -9.081 1.00 0.00 C ATOM 538 O ALA A 372 -2.187 14.768 -9.352 1.00 0.00 O ATOM 539 CB ALA A 372 -2.654 11.835 -8.767 1.00 0.00 C ATOM 0 H ALA A 372 -0.366 10.986 -8.553 1.00 0.00 H new ATOM 0 HA ALA A 372 -1.667 12.518 -10.591 1.00 0.00 H new ATOM 0 HB1 ALA A 372 -3.545 12.450 -8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 372 -2.841 10.838 -9.166 1.00 0.00 H new ATOM 0 HB3 ALA A 372 -2.413 11.762 -7.707 1.00 0.00 H new ATOM 652 N LEU A 381 4.209 7.472 7.130 1.00 0.00 N ATOM 653 CA LEU A 381 5.404 6.840 7.715 1.00 0.00 C ATOM 654 C LEU A 381 6.631 6.917 6.776 1.00 0.00 C ATOM 655 O LEU A 381 6.453 6.951 5.556 1.00 0.00 O ATOM 656 CB LEU A 381 5.077 5.372 8.097 1.00 0.00 C ATOM 657 CG LEU A 381 4.958 4.334 6.959 1.00 0.00 C ATOM 658 CD1 LEU A 381 4.769 2.948 7.576 1.00 0.00 C ATOM 659 CD2 LEU A 381 3.783 4.560 6.006 1.00 0.00 C ATOM 0 HA LEU A 381 5.675 7.394 8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 381 5.849 5.026 8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 381 4.137 5.372 8.648 1.00 0.00 H new ATOM 0 HG LEU A 381 5.875 4.432 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 381 4.684 2.205 6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 381 5.627 2.710 8.205 1.00 0.00 H new ATOM 0 HD13 LEU A 381 3.862 2.939 8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 381 3.780 3.784 5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 381 2.848 4.521 6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 381 3.882 5.536 5.532 1.00 0.00 H new ATOM 671 N PRO A 382 7.879 6.913 7.295 1.00 0.00 N ATOM 672 CA PRO A 382 9.088 6.979 6.462 1.00 0.00 C ATOM 673 C PRO A 382 9.337 5.705 5.636 1.00 0.00 C ATOM 674 O PRO A 382 9.886 5.782 4.535 1.00 0.00 O ATOM 675 CB PRO A 382 10.236 7.249 7.442 1.00 0.00 C ATOM 676 CG PRO A 382 9.747 6.627 8.750 1.00 0.00 C ATOM 677 CD PRO A 382 8.240 6.876 8.707 1.00 0.00 C ATOM 0 HA PRO A 382 8.989 7.762 5.710 1.00 0.00 H new ATOM 0 HB2 PRO A 382 11.167 6.793 7.105 1.00 0.00 H new ATOM 0 HB3 PRO A 382 10.426 8.317 7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 382 9.979 5.563 8.802 1.00 0.00 H new ATOM 0 HG3 PRO A 382 10.209 7.097 9.618 1.00 0.00 H new ATOM 0 HD2 PRO A 382 7.699 6.086 9.227 1.00 0.00 H new ATOM 0 HD3 PRO A 382 7.985 7.814 9.200 1.00 0.00 H new ATOM 685 N HIS A 383 8.911 4.534 6.132 1.00 0.00 N ATOM 686 CA HIS A 383 9.054 3.235 5.452 1.00 0.00 C ATOM 687 C HIS A 383 8.311 3.156 4.102 1.00 0.00 C ATOM 688 O HIS A 383 8.607 2.287 3.280 1.00 0.00 O ATOM 689 CB HIS A 383 8.609 2.111 6.401 1.00 0.00 C ATOM 690 CG HIS A 383 9.350 2.108 7.719 1.00 0.00 C ATOM 691 ND1 HIS A 383 10.716 2.192 7.892 1.00 0.00 N ATOM 692 CD2 HIS A 383 8.792 2.049 8.969 1.00 0.00 C ATOM 693 CE1 HIS A 383 10.974 2.192 9.210 1.00 0.00 C ATOM 694 NE2 HIS A 383 9.829 2.106 9.912 1.00 0.00 N ATOM 0 H HIS A 383 8.447 4.460 7.037 1.00 0.00 H new ATOM 0 HA HIS A 383 10.109 3.114 5.204 1.00 0.00 H new ATOM 0 HB2 HIS A 383 7.541 2.210 6.594 1.00 0.00 H new ATOM 0 HB3 HIS A 383 8.756 1.150 5.908 1.00 0.00 H new ATOM 0 HD2 HIS A 383 7.738 1.972 9.190 1.00 0.00 H new ATOM 0 HE1 HIS A 383 11.961 2.252 9.645 1.00 0.00 H new ATOM 0 HE2 HIS A 383 9.734 2.086 10.927 1.00 0.00 H new ATOM 702 N CYS A 384 7.392 4.095 3.847 1.00 0.00 N ATOM 703 CA CYS A 384 6.660 4.252 2.595 1.00 0.00 C ATOM 704 C CYS A 384 7.611 4.312 1.390 1.00 0.00 C ATOM 705 O CYS A 384 7.465 3.566 0.424 1.00 0.00 O ATOM 706 CB CYS A 384 5.892 5.569 2.728 1.00 0.00 C ATOM 707 SG CYS A 384 4.990 5.922 1.203 1.00 0.00 S ATOM 0 H CYS A 384 7.130 4.795 4.542 1.00 0.00 H new ATOM 0 HA CYS A 384 5.997 3.404 2.423 1.00 0.00 H new ATOM 0 HB2 CYS A 384 5.196 5.510 3.565 1.00 0.00 H new ATOM 0 HB3 CYS A 384 6.585 6.382 2.946 1.00 0.00 H new ATOM 0 HG CYS A 384 3.841 5.315 1.228 1.00 0.00 H new ATOM 712 N ARG A 385 8.621 5.187 1.478 1.00 0.00 N ATOM 713 CA ARG A 385 9.643 5.421 0.446 1.00 0.00 C ATOM 714 C ARG A 385 10.479 4.169 0.166 1.00 0.00 C ATOM 715 O ARG A 385 10.797 3.877 -0.986 1.00 0.00 O ATOM 716 CB ARG A 385 10.520 6.608 0.878 1.00 0.00 C ATOM 717 CG ARG A 385 9.754 7.889 1.258 1.00 0.00 C ATOM 718 CD ARG A 385 8.608 8.329 0.338 1.00 0.00 C ATOM 719 NE ARG A 385 9.032 8.594 -1.051 1.00 0.00 N ATOM 720 CZ ARG A 385 8.265 9.130 -1.985 1.00 0.00 C ATOM 721 NH1 ARG A 385 7.068 9.569 -1.732 1.00 0.00 N ATOM 722 NH2 ARG A 385 8.653 9.221 -3.221 1.00 0.00 N ATOM 0 H ARG A 385 8.755 5.775 2.301 1.00 0.00 H new ATOM 0 HA ARG A 385 9.147 5.662 -0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 385 11.125 6.300 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 385 11.209 6.844 0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 385 9.347 7.753 2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 385 10.473 8.706 1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 385 7.840 7.555 0.333 1.00 0.00 H new ATOM 0 HD3 ARG A 385 8.150 9.230 0.747 1.00 0.00 H new ATOM 0 HE ARG A 385 9.987 8.345 -1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 385 6.691 9.506 -0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 385 6.506 9.976 -2.479 1.00 0.00 H new ATOM 0 HH21 ARG A 385 9.572 8.874 -3.494 1.00 0.00 H new ATOM 0 HH22 ARG A 385 8.038 9.640 -3.919 1.00 0.00 H new ATOM 736 N THR A 386 10.773 3.390 1.206 1.00 0.00 N ATOM 737 CA THR A 386 11.482 2.106 1.117 1.00 0.00 C ATOM 738 C THR A 386 10.628 1.110 0.339 1.00 0.00 C ATOM 739 O THR A 386 11.098 0.531 -0.637 1.00 0.00 O ATOM 740 CB THR A 386 11.805 1.539 2.512 1.00 0.00 C ATOM 741 OG1 THR A 386 12.409 2.527 3.325 1.00 0.00 O ATOM 742 CG2 THR A 386 12.750 0.338 2.454 1.00 0.00 C ATOM 0 H THR A 386 10.519 3.638 2.162 1.00 0.00 H new ATOM 0 HA THR A 386 12.427 2.273 0.599 1.00 0.00 H new ATOM 0 HB THR A 386 10.852 1.218 2.933 1.00 0.00 H new ATOM 0 HG1 THR A 386 12.605 2.149 4.208 1.00 0.00 H new ATOM 0 HG21 THR A 386 12.944 -0.022 3.465 1.00 0.00 H new ATOM 0 HG22 THR A 386 12.291 -0.458 1.867 1.00 0.00 H new ATOM 0 HG23 THR A 386 13.689 0.636 1.989 1.00 0.00 H new ATOM 750 N MET A 387 9.352 0.942 0.702 1.00 0.00 N ATOM 751 CA MET A 387 8.457 0.036 -0.024 1.00 0.00 C ATOM 752 C MET A 387 8.141 0.530 -1.446 1.00 0.00 C ATOM 753 O MET A 387 8.053 -0.288 -2.355 1.00 0.00 O ATOM 754 CB MET A 387 7.208 -0.293 0.804 1.00 0.00 C ATOM 755 CG MET A 387 7.418 -1.648 1.499 1.00 0.00 C ATOM 756 SD MET A 387 8.801 -1.736 2.678 1.00 0.00 S ATOM 757 CE MET A 387 9.396 -3.418 2.331 1.00 0.00 C ATOM 0 H MET A 387 8.917 1.420 1.491 1.00 0.00 H new ATOM 0 HA MET A 387 8.988 -0.905 -0.167 1.00 0.00 H new ATOM 0 HB2 MET A 387 7.029 0.487 1.544 1.00 0.00 H new ATOM 0 HB3 MET A 387 6.328 -0.331 0.162 1.00 0.00 H new ATOM 0 HG2 MET A 387 6.500 -1.909 2.026 1.00 0.00 H new ATOM 0 HG3 MET A 387 7.572 -2.407 0.732 1.00 0.00 H new ATOM 0 HE1 MET A 387 10.215 -3.661 3.008 1.00 0.00 H new ATOM 0 HE2 MET A 387 8.583 -4.129 2.476 1.00 0.00 H new ATOM 0 HE3 MET A 387 9.747 -3.474 1.301 1.00 0.00 H new ATOM 767 N LYS A 388 8.061 1.843 -1.691 1.00 0.00 N ATOM 768 CA LYS A 388 7.953 2.430 -3.043 1.00 0.00 C ATOM 769 C LYS A 388 9.172 2.038 -3.887 1.00 0.00 C ATOM 770 O LYS A 388 9.019 1.643 -5.046 1.00 0.00 O ATOM 771 CB LYS A 388 7.859 3.960 -2.917 1.00 0.00 C ATOM 772 CG LYS A 388 6.432 4.487 -2.702 1.00 0.00 C ATOM 773 CD LYS A 388 6.514 5.912 -2.140 1.00 0.00 C ATOM 774 CE LYS A 388 5.186 6.681 -2.175 1.00 0.00 C ATOM 775 NZ LYS A 388 4.982 7.365 -3.478 1.00 0.00 N ATOM 0 H LYS A 388 8.069 2.543 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 388 7.059 2.051 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 388 8.483 4.284 -2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 388 8.270 4.414 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.882 4.483 -3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 388 5.890 3.840 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.866 5.864 -1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.259 6.471 -2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 388 4.361 5.992 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.170 7.417 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 3.987 7.656 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.594 8.204 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 5.222 6.714 -4.253 1.00 0.00 H new ATOM 789 N ASN A 389 10.376 2.083 -3.304 1.00 0.00 N ATOM 790 CA ASN A 389 11.604 1.657 -3.992 1.00 0.00 C ATOM 791 C ASN A 389 11.561 0.146 -4.302 1.00 0.00 C ATOM 792 O ASN A 389 11.891 -0.276 -5.409 1.00 0.00 O ATOM 793 CB ASN A 389 12.824 2.053 -3.141 1.00 0.00 C ATOM 794 CG ASN A 389 14.138 1.663 -3.801 1.00 0.00 C ATOM 795 OD1 ASN A 389 14.446 2.062 -4.915 1.00 0.00 O ATOM 796 ND2 ASN A 389 14.956 0.874 -3.140 1.00 0.00 N ATOM 0 H ASN A 389 10.528 2.412 -2.351 1.00 0.00 H new ATOM 0 HA ASN A 389 11.686 2.164 -4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 389 12.811 3.129 -2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 389 12.754 1.574 -2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 389 15.845 0.596 -3.557 1.00 0.00 H new ATOM 0 HD22 ASN A 389 14.702 0.539 -2.211 1.00 0.00 H new ATOM 803 N VAL A 390 11.082 -0.662 -3.351 1.00 0.00 N ATOM 804 CA VAL A 390 10.883 -2.117 -3.495 1.00 0.00 C ATOM 805 C VAL A 390 9.843 -2.427 -4.580 1.00 0.00 C ATOM 806 O VAL A 390 10.035 -3.365 -5.349 1.00 0.00 O ATOM 807 CB VAL A 390 10.471 -2.715 -2.140 1.00 0.00 C ATOM 808 CG1 VAL A 390 9.994 -4.171 -2.198 1.00 0.00 C ATOM 809 CG2 VAL A 390 11.639 -2.661 -1.147 1.00 0.00 C ATOM 0 H VAL A 390 10.812 -0.316 -2.430 1.00 0.00 H new ATOM 0 HA VAL A 390 11.821 -2.574 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 390 9.630 -2.100 -1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 390 9.725 -4.506 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 390 9.124 -4.243 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.793 -4.801 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 390 11.327 -3.089 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 390 12.480 -3.231 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 390 11.942 -1.625 -0.997 1.00 0.00 H new ATOM 819 N LEU A 391 8.770 -1.637 -4.701 1.00 0.00 N ATOM 820 CA LEU A 391 7.774 -1.815 -5.767 1.00 0.00 C ATOM 821 C LEU A 391 8.373 -1.496 -7.144 1.00 0.00 C ATOM 822 O LEU A 391 8.194 -2.276 -8.077 1.00 0.00 O ATOM 823 CB LEU A 391 6.519 -0.951 -5.550 1.00 0.00 C ATOM 824 CG LEU A 391 5.535 -1.399 -4.456 1.00 0.00 C ATOM 825 CD1 LEU A 391 4.284 -0.534 -4.585 1.00 0.00 C ATOM 826 CD2 LEU A 391 5.105 -2.864 -4.568 1.00 0.00 C ATOM 0 H LEU A 391 8.567 -0.862 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 391 7.477 -2.863 -5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 391 6.844 0.063 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 391 5.975 -0.903 -6.494 1.00 0.00 H new ATOM 0 HG LEU A 391 6.043 -1.290 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 391 3.561 -0.824 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 391 4.551 0.514 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.845 -0.674 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 391 4.412 -3.102 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 391 4.615 -3.027 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 391 5.982 -3.507 -4.495 1.00 0.00 H new ATOM 838 N ASN A 392 9.127 -0.397 -7.275 1.00 0.00 N ATOM 839 CA ASN A 392 9.833 -0.069 -8.526 1.00 0.00 C ATOM 840 C ASN A 392 10.837 -1.190 -8.876 1.00 0.00 C ATOM 841 O ASN A 392 10.961 -1.580 -10.044 1.00 0.00 O ATOM 842 CB ASN A 392 10.509 1.308 -8.396 1.00 0.00 C ATOM 843 CG ASN A 392 9.531 2.453 -8.619 1.00 0.00 C ATOM 844 OD1 ASN A 392 9.386 2.968 -9.718 1.00 0.00 O ATOM 845 ND2 ASN A 392 8.818 2.885 -7.604 1.00 0.00 N ATOM 0 H ASN A 392 9.266 0.284 -6.528 1.00 0.00 H new ATOM 0 HA ASN A 392 9.122 -0.006 -9.350 1.00 0.00 H new ATOM 0 HB2 ASN A 392 10.954 1.400 -7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 392 11.322 1.381 -9.118 1.00 0.00 H new ATOM 0 HD21 ASN A 392 8.150 3.644 -7.736 1.00 0.00 H new ATOM 0 HD22 ASN A 392 8.932 2.461 -6.683 1.00 0.00 H new ATOM 852 N HIS A 393 11.481 -1.782 -7.861 1.00 0.00 N ATOM 853 CA HIS A 393 12.341 -2.939 -8.061 1.00 0.00 C ATOM 854 C HIS A 393 11.510 -4.117 -8.565 1.00 0.00 C ATOM 855 O HIS A 393 11.850 -4.650 -9.612 1.00 0.00 O ATOM 856 CB HIS A 393 13.141 -3.302 -6.806 1.00 0.00 C ATOM 857 CG HIS A 393 13.951 -4.558 -7.022 1.00 0.00 C ATOM 858 ND1 HIS A 393 15.176 -4.655 -7.643 1.00 0.00 N ATOM 859 CD2 HIS A 393 13.489 -5.836 -6.859 1.00 0.00 C ATOM 860 CE1 HIS A 393 15.440 -5.956 -7.854 1.00 0.00 C ATOM 861 NE2 HIS A 393 14.433 -6.717 -7.400 1.00 0.00 N ATOM 0 H HIS A 393 11.417 -1.471 -6.892 1.00 0.00 H new ATOM 0 HA HIS A 393 13.081 -2.681 -8.818 1.00 0.00 H new ATOM 0 HB2 HIS A 393 13.805 -2.478 -6.543 1.00 0.00 H new ATOM 0 HB3 HIS A 393 12.461 -3.444 -5.966 1.00 0.00 H new ATOM 0 HD1 HIS A 393 15.780 -3.874 -7.899 1.00 0.00 H new ATOM 0 HD2 HIS A 393 12.556 -6.117 -6.393 1.00 0.00 H new ATOM 0 HE1 HIS A 393 16.336 -6.335 -8.323 1.00 0.00 H new ATOM 869 N MET A 394 10.399 -4.493 -7.908 1.00 0.00 N ATOM 870 CA MET A 394 9.545 -5.594 -8.396 1.00 0.00 C ATOM 871 C MET A 394 9.031 -5.331 -9.827 1.00 0.00 C ATOM 872 O MET A 394 8.785 -6.263 -10.594 1.00 0.00 O ATOM 873 CB MET A 394 8.414 -5.993 -7.419 1.00 0.00 C ATOM 874 CG MET A 394 7.059 -5.276 -7.554 1.00 0.00 C ATOM 875 SD MET A 394 5.615 -6.258 -7.039 1.00 0.00 S ATOM 876 CE MET A 394 6.064 -6.675 -5.334 1.00 0.00 C ATOM 0 H MET A 394 10.072 -4.057 -7.046 1.00 0.00 H new ATOM 0 HA MET A 394 10.192 -6.470 -8.442 1.00 0.00 H new ATOM 0 HB2 MET A 394 8.239 -7.063 -7.530 1.00 0.00 H new ATOM 0 HB3 MET A 394 8.777 -5.833 -6.404 1.00 0.00 H new ATOM 0 HG2 MET A 394 7.088 -4.362 -6.961 1.00 0.00 H new ATOM 0 HG3 MET A 394 6.925 -4.978 -8.594 1.00 0.00 H new ATOM 0 HE1 MET A 394 5.281 -7.292 -4.892 1.00 0.00 H new ATOM 0 HE2 MET A 394 7.005 -7.225 -5.330 1.00 0.00 H new ATOM 0 HE3 MET A 394 6.176 -5.760 -4.753 1.00 0.00 H new ATOM 886 N THR A 395 8.909 -4.056 -10.202 1.00 0.00 N ATOM 887 CA THR A 395 8.512 -3.605 -11.539 1.00 0.00 C ATOM 888 C THR A 395 9.600 -3.966 -12.561 1.00 0.00 C ATOM 889 O THR A 395 9.276 -4.569 -13.588 1.00 0.00 O ATOM 890 CB THR A 395 8.138 -2.105 -11.482 1.00 0.00 C ATOM 891 OG1 THR A 395 6.735 -1.970 -11.567 1.00 0.00 O ATOM 892 CG2 THR A 395 8.737 -1.164 -12.525 1.00 0.00 C ATOM 0 H THR A 395 9.090 -3.282 -9.562 1.00 0.00 H new ATOM 0 HA THR A 395 7.617 -4.123 -11.883 1.00 0.00 H new ATOM 0 HB THR A 395 8.575 -1.792 -10.534 1.00 0.00 H new ATOM 0 HG1 THR A 395 6.495 -1.021 -11.529 1.00 0.00 H new ATOM 0 HG21 THR A 395 8.378 -0.150 -12.349 1.00 0.00 H new ATOM 0 HG22 THR A 395 9.824 -1.182 -12.450 1.00 0.00 H new ATOM 0 HG23 THR A 395 8.437 -1.487 -13.522 1.00 0.00 H new ATOM 900 N HIS A 396 10.882 -3.666 -12.294 1.00 0.00 N ATOM 901 CA HIS A 396 11.989 -4.091 -13.180 1.00 0.00 C ATOM 902 C HIS A 396 12.464 -5.562 -13.015 1.00 0.00 C ATOM 903 O HIS A 396 13.092 -6.114 -13.922 1.00 0.00 O ATOM 904 CB HIS A 396 13.138 -3.069 -13.173 1.00 0.00 C ATOM 905 CG HIS A 396 13.910 -2.875 -11.891 1.00 0.00 C ATOM 906 ND1 HIS A 396 14.070 -1.675 -11.233 1.00 0.00 N ATOM 907 CD2 HIS A 396 14.770 -3.768 -11.303 1.00 0.00 C ATOM 908 CE1 HIS A 396 15.004 -1.833 -10.281 1.00 0.00 C ATOM 909 NE2 HIS A 396 15.459 -3.099 -10.280 1.00 0.00 N ATOM 0 H HIS A 396 11.181 -3.134 -11.477 1.00 0.00 H new ATOM 0 HA HIS A 396 11.559 -4.099 -14.181 1.00 0.00 H new ATOM 0 HB2 HIS A 396 13.847 -3.359 -13.948 1.00 0.00 H new ATOM 0 HB3 HIS A 396 12.726 -2.103 -13.464 1.00 0.00 H new ATOM 0 HD1 HIS A 396 13.564 -0.812 -11.435 1.00 0.00 H new ATOM 0 HD2 HIS A 396 14.895 -4.805 -11.579 1.00 0.00 H new ATOM 0 HE1 HIS A 396 15.341 -1.055 -9.612 1.00 0.00 H new ATOM 917 N CYS A 397 12.194 -6.191 -11.865 1.00 0.00 N ATOM 918 CA CYS A 397 12.559 -7.560 -11.470 1.00 0.00 C ATOM 919 C CYS A 397 11.919 -8.654 -12.348 1.00 0.00 C ATOM 920 O CYS A 397 10.910 -8.441 -13.030 1.00 0.00 O ATOM 921 CB CYS A 397 12.144 -7.699 -9.993 1.00 0.00 C ATOM 922 SG CYS A 397 12.604 -9.256 -9.179 1.00 0.00 S ATOM 0 H CYS A 397 11.673 -5.719 -11.126 1.00 0.00 H new ATOM 0 HA CYS A 397 13.630 -7.710 -11.609 1.00 0.00 H new ATOM 0 HB2 CYS A 397 12.586 -6.875 -9.433 1.00 0.00 H new ATOM 0 HB3 CYS A 397 11.062 -7.584 -9.928 1.00 0.00 H new ATOM 0 HG CYS A 397 13.588 -9.042 -8.357 1.00 0.00 H new ATOM 927 N GLN A 398 12.504 -9.852 -12.278 1.00 0.00 N ATOM 928 CA GLN A 398 12.055 -11.053 -12.990 1.00 0.00 C ATOM 929 C GLN A 398 12.193 -12.368 -12.218 1.00 0.00 C ATOM 930 O GLN A 398 11.480 -13.323 -12.543 1.00 0.00 O ATOM 931 CB GLN A 398 12.790 -11.180 -14.338 1.00 0.00 C ATOM 932 CG GLN A 398 14.323 -11.062 -14.244 1.00 0.00 C ATOM 933 CD GLN A 398 15.008 -11.528 -15.530 1.00 0.00 C ATOM 934 OE1 GLN A 398 15.113 -12.714 -15.818 1.00 0.00 O ATOM 935 NE2 GLN A 398 15.502 -10.627 -16.357 1.00 0.00 N ATOM 0 H GLN A 398 13.331 -10.019 -11.705 1.00 0.00 H new ATOM 0 HA GLN A 398 10.985 -10.903 -13.131 1.00 0.00 H new ATOM 0 HB2 GLN A 398 12.539 -12.142 -14.785 1.00 0.00 H new ATOM 0 HB3 GLN A 398 12.420 -10.409 -15.013 1.00 0.00 H new ATOM 0 HG2 GLN A 398 14.596 -10.026 -14.041 1.00 0.00 H new ATOM 0 HG3 GLN A 398 14.683 -11.657 -13.404 1.00 0.00 H new ATOM 0 HE21 GLN A 398 15.425 -9.634 -16.135 1.00 0.00 H new ATOM 0 HE22 GLN A 398 15.961 -10.923 -17.218 1.00 0.00 H new ATOM 944 N ALA A 399 13.070 -12.456 -11.210 1.00 0.00 N ATOM 945 CA ALA A 399 13.229 -13.700 -10.471 1.00 0.00 C ATOM 946 C ALA A 399 12.085 -13.942 -9.480 1.00 0.00 C ATOM 947 O ALA A 399 11.563 -15.054 -9.416 1.00 0.00 O ATOM 948 CB ALA A 399 14.571 -13.730 -9.723 1.00 0.00 C ATOM 0 H ALA A 399 13.668 -11.691 -10.897 1.00 0.00 H new ATOM 0 HA ALA A 399 13.208 -14.500 -11.211 1.00 0.00 H new ATOM 0 HB1 ALA A 399 14.664 -14.670 -9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 399 15.388 -13.643 -10.439 1.00 0.00 H new ATOM 0 HB3 ALA A 399 14.614 -12.899 -9.020 1.00 0.00 H new ATOM 954 N PRO A 400 11.725 -12.907 -8.709 1.00 0.00 N ATOM 955 CA PRO A 400 10.716 -12.893 -7.636 1.00 0.00 C ATOM 956 C PRO A 400 10.969 -13.870 -6.475 1.00 0.00 C ATOM 957 O PRO A 400 11.164 -13.452 -5.337 1.00 0.00 O ATOM 961 N LYS A 401 11.002 -15.173 -6.771 1.00 0.00 N ATOM 962 CA LYS A 401 11.278 -16.280 -5.833 1.00 0.00 C ATOM 963 C LYS A 401 12.778 -16.429 -5.593 1.00 0.00 C ATOM 964 O LYS A 401 13.245 -16.423 -4.451 1.00 0.00 O ATOM 965 CB LYS A 401 10.636 -17.570 -6.378 1.00 0.00 C ATOM 966 CG LYS A 401 10.736 -18.731 -5.376 1.00 0.00 C ATOM 967 CD LYS A 401 10.011 -19.978 -5.900 1.00 0.00 C ATOM 968 CE LYS A 401 10.117 -21.114 -4.876 1.00 0.00 C ATOM 969 NZ LYS A 401 9.408 -22.336 -5.337 1.00 0.00 N ATOM 0 H LYS A 401 10.829 -15.508 -7.719 1.00 0.00 H new ATOM 0 HA LYS A 401 10.835 -16.063 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 401 9.588 -17.382 -6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 401 11.125 -17.853 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 401 11.784 -18.967 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 401 10.304 -18.430 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 401 8.963 -19.746 -6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 401 10.447 -20.291 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 401 11.167 -21.347 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 401 9.698 -20.787 -3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 9.501 -23.083 -4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 8.401 -22.119 -5.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 9.825 -22.662 -6.232 1.00 0.00 H new ATOM 983 N ALA A 402 13.540 -16.496 -6.684 1.00 0.00 N ATOM 984 CA ALA A 402 15.003 -16.545 -6.680 1.00 0.00 C ATOM 985 C ALA A 402 15.619 -15.162 -6.364 1.00 0.00 C ATOM 986 O ALA A 402 16.813 -15.069 -6.088 1.00 0.00 O ATOM 987 CB ALA A 402 15.500 -17.158 -7.996 1.00 0.00 C ATOM 0 H ALA A 402 13.145 -16.518 -7.624 1.00 0.00 H new ATOM 0 HA ALA A 402 15.344 -17.194 -5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 402 16.589 -17.194 -7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 402 15.104 -18.168 -8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 402 15.160 -16.548 -8.833 1.00 0.00 H new ATOM 993 N CYS A 403 14.797 -14.095 -6.342 1.00 0.00 N ATOM 994 CA CYS A 403 15.154 -12.727 -5.965 1.00 0.00 C ATOM 995 C CYS A 403 15.182 -12.582 -4.440 1.00 0.00 C ATOM 996 O CYS A 403 14.620 -11.656 -3.861 1.00 0.00 O ATOM 997 CB CYS A 403 14.242 -11.671 -6.564 1.00 0.00 C ATOM 998 SG CYS A 403 15.187 -10.123 -6.708 1.00 0.00 S ATOM 0 H CYS A 403 13.814 -14.176 -6.602 1.00 0.00 H new ATOM 0 HA CYS A 403 16.148 -12.553 -6.378 1.00 0.00 H new ATOM 0 HB2 CYS A 403 13.882 -11.990 -7.542 1.00 0.00 H new ATOM 0 HB3 CYS A 403 13.365 -11.524 -5.934 1.00 0.00 H new ATOM 0 HG CYS A 403 15.582 -9.744 -5.529 1.00 0.00 H new ATOM 1003 N GLN A 404 15.810 -13.570 -3.816 1.00 0.00 N ATOM 1004 CA GLN A 404 16.110 -13.786 -2.396 1.00 0.00 C ATOM 1005 C GLN A 404 16.467 -12.523 -1.584 1.00 0.00 C ATOM 1006 O GLN A 404 16.523 -12.613 -0.355 1.00 0.00 O ATOM 1007 CB GLN A 404 17.168 -14.898 -2.262 1.00 0.00 C ATOM 1008 CG GLN A 404 16.618 -16.295 -2.608 1.00 0.00 C ATOM 1009 CD GLN A 404 15.640 -16.819 -1.554 1.00 0.00 C ATOM 1010 OE1 GLN A 404 16.007 -17.134 -0.428 1.00 0.00 O ATOM 1011 NE2 GLN A 404 14.366 -16.939 -1.861 1.00 0.00 N ATOM 0 H GLN A 404 16.173 -14.348 -4.367 1.00 0.00 H new ATOM 0 HA GLN A 404 15.177 -14.105 -1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 404 18.010 -14.672 -2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 404 17.551 -14.907 -1.242 1.00 0.00 H new ATOM 0 HG2 GLN A 404 16.117 -16.255 -3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 404 17.448 -16.994 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 404 14.040 -16.682 -2.793 1.00 0.00 H new ATOM 0 HE22 GLN A 404 13.705 -17.289 -1.167 1.00 0.00 H new ATOM 1020 N VAL A 405 16.676 -11.360 -2.230 1.00 0.00 N ATOM 1021 CA VAL A 405 16.830 -10.053 -1.555 1.00 0.00 C ATOM 1022 C VAL A 405 15.655 -9.908 -0.582 1.00 0.00 C ATOM 1023 O VAL A 405 14.506 -9.909 -1.023 1.00 0.00 O ATOM 1024 CB VAL A 405 16.795 -8.886 -2.566 1.00 0.00 C ATOM 1025 CG1 VAL A 405 16.944 -7.524 -1.870 1.00 0.00 C ATOM 1026 CG2 VAL A 405 17.905 -8.995 -3.611 1.00 0.00 C ATOM 0 H VAL A 405 16.744 -11.299 -3.246 1.00 0.00 H new ATOM 0 HA VAL A 405 17.791 -10.017 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 405 15.822 -8.954 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 405 16.914 -6.729 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 405 16.128 -7.387 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 405 17.896 -7.489 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 405 17.840 -8.153 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 405 18.875 -8.983 -3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 405 17.793 -9.927 -4.165 1.00 0.00 H new ATOM 1036 N ALA A 406 15.928 -9.851 0.725 1.00 0.00 N ATOM 1037 CA ALA A 406 14.932 -9.880 1.805 1.00 0.00 C ATOM 1038 C ALA A 406 13.583 -9.207 1.488 1.00 0.00 C ATOM 1039 O ALA A 406 12.547 -9.881 1.406 1.00 0.00 O ATOM 1040 CB ALA A 406 15.585 -9.325 3.078 1.00 0.00 C ATOM 0 H ALA A 406 16.884 -9.781 1.075 1.00 0.00 H new ATOM 0 HA ALA A 406 14.642 -10.921 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 406 14.862 -9.338 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 406 16.443 -9.941 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 406 15.914 -8.301 2.901 1.00 0.00 H new ATOM 1046 N HIS A 407 13.599 -7.887 1.288 1.00 0.00 N ATOM 1047 CA HIS A 407 12.382 -7.128 1.008 1.00 0.00 C ATOM 1048 C HIS A 407 11.722 -7.491 -0.331 1.00 0.00 C ATOM 1049 O HIS A 407 10.498 -7.550 -0.349 1.00 0.00 O ATOM 1050 CB HIS A 407 12.606 -5.610 1.121 1.00 0.00 C ATOM 1051 CG HIS A 407 13.294 -5.180 2.394 1.00 0.00 C ATOM 1052 ND1 HIS A 407 14.582 -4.704 2.509 1.00 0.00 N ATOM 1053 CD2 HIS A 407 12.751 -5.180 3.651 1.00 0.00 C ATOM 1054 CE1 HIS A 407 14.811 -4.426 3.805 1.00 0.00 C ATOM 1055 NE2 HIS A 407 13.721 -4.702 4.544 1.00 0.00 N ATOM 0 H HIS A 407 14.447 -7.321 1.315 1.00 0.00 H new ATOM 0 HA HIS A 407 11.678 -7.424 1.786 1.00 0.00 H new ATOM 0 HB2 HIS A 407 13.200 -5.277 0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 407 11.642 -5.106 1.054 1.00 0.00 H new ATOM 0 HD2 HIS A 407 11.750 -5.493 3.910 1.00 0.00 H new ATOM 0 HE1 HIS A 407 15.739 -4.036 4.197 1.00 0.00 H new ATOM 0 HE2 HIS A 407 13.620 -4.587 5.552 1.00 0.00 H new ATOM 1063 N CYS A 408 12.456 -7.773 -1.422 1.00 0.00 N ATOM 1064 CA CYS A 408 11.828 -8.137 -2.701 1.00 0.00 C ATOM 1065 C CYS A 408 11.212 -9.547 -2.668 1.00 0.00 C ATOM 1066 O CYS A 408 10.033 -9.694 -3.003 1.00 0.00 O ATOM 1067 CB CYS A 408 12.854 -8.020 -3.839 1.00 0.00 C ATOM 1068 SG CYS A 408 12.101 -8.511 -5.428 1.00 0.00 S ATOM 0 H CYS A 408 13.476 -7.756 -1.443 1.00 0.00 H new ATOM 0 HA CYS A 408 11.010 -7.439 -2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 408 13.219 -6.995 -3.904 1.00 0.00 H new ATOM 0 HB3 CYS A 408 13.716 -8.653 -3.627 1.00 0.00 H new ATOM 0 HG CYS A 408 12.982 -9.136 -6.151 1.00 0.00 H new ATOM 1073 N ALA A 409 11.962 -10.564 -2.220 1.00 0.00 N ATOM 1074 CA ALA A 409 11.450 -11.931 -2.082 1.00 0.00 C ATOM 1075 C ALA A 409 10.180 -11.926 -1.214 1.00 0.00 C ATOM 1076 O ALA A 409 9.140 -12.472 -1.612 1.00 0.00 O ATOM 1077 CB ALA A 409 12.539 -12.852 -1.513 1.00 0.00 C ATOM 0 H ALA A 409 12.939 -10.460 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 409 11.179 -12.323 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 409 12.145 -13.864 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 409 13.397 -12.859 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 409 12.849 -12.487 -0.534 1.00 0.00 H new ATOM 1083 N SER A 410 10.237 -11.227 -0.068 1.00 0.00 N ATOM 1084 CA SER A 410 9.061 -11.053 0.787 1.00 0.00 C ATOM 1085 C SER A 410 7.945 -10.349 0.011 1.00 0.00 C ATOM 1086 O SER A 410 6.847 -10.891 -0.075 1.00 0.00 O ATOM 1087 CB SER A 410 9.385 -10.266 2.063 1.00 0.00 C ATOM 1088 OG SER A 410 10.361 -10.939 2.840 1.00 0.00 O ATOM 0 H SER A 410 11.083 -10.777 0.283 1.00 0.00 H new ATOM 0 HA SER A 410 8.729 -12.047 1.088 1.00 0.00 H new ATOM 0 HB2 SER A 410 9.747 -9.272 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 410 8.477 -10.130 2.651 1.00 0.00 H new ATOM 0 HG SER A 410 11.255 -10.714 2.508 1.00 0.00 H new ATOM 1094 N SER A 411 8.217 -9.184 -0.594 1.00 0.00 N ATOM 1095 CA SER A 411 7.231 -8.400 -1.349 1.00 0.00 C ATOM 1096 C SER A 411 6.440 -9.234 -2.347 1.00 0.00 C ATOM 1097 O SER A 411 5.211 -9.210 -2.319 1.00 0.00 O ATOM 1098 CB SER A 411 7.855 -7.174 -2.054 1.00 0.00 C ATOM 1099 OG SER A 411 8.451 -7.457 -3.303 1.00 0.00 O ATOM 0 H SER A 411 9.142 -8.754 -0.572 1.00 0.00 H new ATOM 0 HA SER A 411 6.531 -8.037 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 411 7.081 -6.420 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 411 8.607 -6.737 -1.397 1.00 0.00 H new ATOM 0 HG SER A 411 8.996 -8.268 -3.229 1.00 0.00 H new ATOM 1105 N ARG A 412 7.119 -10.008 -3.201 1.00 0.00 N ATOM 1106 CA ARG A 412 6.456 -10.840 -4.206 1.00 0.00 C ATOM 1107 C ARG A 412 5.683 -11.982 -3.560 1.00 0.00 C ATOM 1108 O ARG A 412 4.580 -12.262 -4.019 1.00 0.00 O ATOM 1109 CB ARG A 412 7.423 -11.352 -5.285 1.00 0.00 C ATOM 1110 CG ARG A 412 8.171 -10.218 -6.011 1.00 0.00 C ATOM 1111 CD ARG A 412 8.332 -10.473 -7.514 1.00 0.00 C ATOM 1112 NE ARG A 412 7.288 -9.796 -8.309 1.00 0.00 N ATOM 1113 CZ ARG A 412 7.488 -9.067 -9.394 1.00 0.00 C ATOM 1114 NH1 ARG A 412 8.651 -8.983 -9.972 1.00 0.00 N ATOM 1115 NH2 ARG A 412 6.521 -8.371 -9.916 1.00 0.00 N ATOM 0 H ARG A 412 8.137 -10.074 -3.214 1.00 0.00 H new ATOM 0 HA ARG A 412 5.738 -10.198 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 412 8.149 -12.023 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 412 6.866 -11.938 -6.016 1.00 0.00 H new ATOM 0 HG2 ARG A 412 7.633 -9.282 -5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 412 9.156 -10.094 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 412 9.314 -10.127 -7.837 1.00 0.00 H new ATOM 0 HD3 ARG A 412 8.294 -11.545 -7.705 1.00 0.00 H new ATOM 0 HE ARG A 412 6.324 -9.900 -7.992 1.00 0.00 H new ATOM 0 HH11 ARG A 412 9.449 -9.490 -9.589 1.00 0.00 H new ATOM 0 HH12 ARG A 412 8.765 -8.410 -10.808 1.00 0.00 H new ATOM 0 HH21 ARG A 412 5.595 -8.383 -9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 412 6.689 -7.813 -10.753 1.00 0.00 H new ATOM 1129 N GLN A 413 6.190 -12.602 -2.487 1.00 0.00 N ATOM 1130 CA GLN A 413 5.429 -13.645 -1.778 1.00 0.00 C ATOM 1131 C GLN A 413 4.088 -13.100 -1.235 1.00 0.00 C ATOM 1132 O GLN A 413 3.031 -13.668 -1.529 1.00 0.00 O ATOM 1133 CB GLN A 413 6.280 -14.274 -0.661 1.00 0.00 C ATOM 1134 CG GLN A 413 7.366 -15.226 -1.193 1.00 0.00 C ATOM 1135 CD GLN A 413 6.793 -16.550 -1.698 1.00 0.00 C ATOM 1136 OE1 GLN A 413 6.463 -16.717 -2.865 1.00 0.00 O ATOM 1137 NE2 GLN A 413 6.644 -17.542 -0.844 1.00 0.00 N ATOM 0 H GLN A 413 7.110 -12.405 -2.093 1.00 0.00 H new ATOM 0 HA GLN A 413 5.186 -14.429 -2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 413 6.753 -13.481 -0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 413 5.628 -14.821 0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 413 7.908 -14.737 -2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 413 8.088 -15.426 -0.401 1.00 0.00 H new ATOM 0 HE21 GLN A 413 6.914 -17.420 0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 413 6.259 -18.432 -1.159 1.00 0.00 H new ATOM 1146 N ILE A 414 4.095 -11.964 -0.520 1.00 0.00 N ATOM 1147 CA ILE A 414 2.853 -11.327 -0.050 1.00 0.00 C ATOM 1148 C ILE A 414 1.927 -10.786 -1.129 1.00 0.00 C ATOM 1149 O ILE A 414 0.715 -10.985 -1.049 1.00 0.00 O ATOM 1150 CB ILE A 414 3.035 -10.297 1.089 1.00 0.00 C ATOM 1151 CG1 ILE A 414 4.330 -9.481 1.230 1.00 0.00 C ATOM 1152 CG2 ILE A 414 2.482 -10.883 2.392 1.00 0.00 C ATOM 1153 CD1 ILE A 414 5.309 -10.057 2.268 1.00 0.00 C ATOM 0 H ILE A 414 4.946 -11.468 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 414 2.338 -12.188 0.376 1.00 0.00 H new ATOM 0 HB ILE A 414 2.439 -9.449 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 414 4.827 -9.433 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 414 4.077 -8.458 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 414 2.608 -10.160 3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 414 1.423 -11.108 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 414 3.021 -11.798 2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 414 6.200 -9.431 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 414 4.830 -10.080 3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.592 -11.069 1.979 1.00 0.00 H new ATOM 1165 N ILE A 415 2.463 -10.112 -2.137 1.00 0.00 N ATOM 1166 CA ILE A 415 1.628 -9.565 -3.212 1.00 0.00 C ATOM 1167 C ILE A 415 1.068 -10.694 -4.095 1.00 0.00 C ATOM 1168 O ILE A 415 -0.067 -10.599 -4.551 1.00 0.00 O ATOM 1169 CB ILE A 415 2.391 -8.433 -3.921 1.00 0.00 C ATOM 1170 CG1 ILE A 415 2.053 -7.107 -3.193 1.00 0.00 C ATOM 1171 CG2 ILE A 415 2.119 -8.380 -5.429 1.00 0.00 C ATOM 1172 CD1 ILE A 415 2.580 -5.831 -3.859 1.00 0.00 C ATOM 0 H ILE A 415 3.461 -9.929 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 415 0.727 -9.089 -2.824 1.00 0.00 H new ATOM 0 HB ILE A 415 3.463 -8.618 -3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.969 -7.028 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 415 2.452 -7.158 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 415 2.685 -7.561 -5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 415 2.423 -9.321 -5.887 1.00 0.00 H new ATOM 0 HG23 ILE A 415 1.055 -8.220 -5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 415 2.287 -4.964 -3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 415 3.667 -5.876 -3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 415 2.161 -5.744 -4.862 1.00 0.00 H new ATOM 1184 N SER A 416 1.790 -11.804 -4.272 1.00 0.00 N ATOM 1185 CA SER A 416 1.281 -12.993 -4.966 1.00 0.00 C ATOM 1186 C SER A 416 0.156 -13.636 -4.146 1.00 0.00 C ATOM 1187 O SER A 416 -0.883 -13.984 -4.713 1.00 0.00 O ATOM 1188 CB SER A 416 2.389 -13.992 -5.255 1.00 0.00 C ATOM 1189 OG SER A 416 1.885 -15.107 -5.972 1.00 0.00 O ATOM 0 H SER A 416 2.748 -11.905 -3.937 1.00 0.00 H new ATOM 0 HA SER A 416 0.878 -12.679 -5.929 1.00 0.00 H new ATOM 0 HB2 SER A 416 3.179 -13.510 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 416 2.836 -14.327 -4.319 1.00 0.00 H new ATOM 0 HG SER A 416 2.613 -15.738 -6.150 1.00 0.00 H new ATOM 1195 N HIS A 417 0.299 -13.722 -2.810 1.00 0.00 N ATOM 1196 CA HIS A 417 -0.797 -14.176 -1.942 1.00 0.00 C ATOM 1197 C HIS A 417 -2.019 -13.262 -2.138 1.00 0.00 C ATOM 1198 O HIS A 417 -3.109 -13.751 -2.421 1.00 0.00 O ATOM 1199 CB HIS A 417 -0.373 -14.227 -0.458 1.00 0.00 C ATOM 1200 CG HIS A 417 -1.544 -14.526 0.456 1.00 0.00 C ATOM 1201 ND1 HIS A 417 -2.067 -15.775 0.719 1.00 0.00 N ATOM 1202 CD2 HIS A 417 -2.450 -13.607 0.926 1.00 0.00 C ATOM 1203 CE1 HIS A 417 -3.278 -15.613 1.281 1.00 0.00 C ATOM 1204 NE2 HIS A 417 -3.561 -14.308 1.411 1.00 0.00 N ATOM 0 H HIS A 417 1.158 -13.484 -2.314 1.00 0.00 H new ATOM 0 HA HIS A 417 -1.061 -15.194 -2.227 1.00 0.00 H new ATOM 0 HB2 HIS A 417 0.394 -14.990 -0.326 1.00 0.00 H new ATOM 0 HB3 HIS A 417 0.074 -13.274 -0.175 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -2.327 -12.534 0.922 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -3.930 -16.419 1.584 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -4.418 -13.905 1.789 1.00 0.00 H new ATOM 1212 N TRP A 418 -1.839 -11.939 -2.046 1.00 0.00 N ATOM 1213 CA TRP A 418 -2.896 -10.939 -2.244 1.00 0.00 C ATOM 1214 C TRP A 418 -3.595 -11.060 -3.611 1.00 0.00 C ATOM 1215 O TRP A 418 -4.818 -10.923 -3.692 1.00 0.00 O ATOM 1216 CB TRP A 418 -2.286 -9.546 -2.057 1.00 0.00 C ATOM 1217 CG TRP A 418 -3.212 -8.389 -2.258 1.00 0.00 C ATOM 1218 CD1 TRP A 418 -4.239 -8.042 -1.449 1.00 0.00 C ATOM 1219 CD2 TRP A 418 -3.214 -7.417 -3.348 1.00 0.00 C ATOM 1220 NE1 TRP A 418 -4.881 -6.932 -1.967 1.00 0.00 N ATOM 1221 CE2 TRP A 418 -4.293 -6.505 -3.139 1.00 0.00 C ATOM 1222 CE3 TRP A 418 -2.413 -7.214 -4.495 1.00 0.00 C ATOM 1223 CZ2 TRP A 418 -4.569 -5.453 -4.025 1.00 0.00 C ATOM 1224 CZ3 TRP A 418 -2.676 -6.156 -5.386 1.00 0.00 C ATOM 1225 CH2 TRP A 418 -3.752 -5.278 -5.155 1.00 0.00 C ATOM 0 H TRP A 418 -0.933 -11.524 -1.827 1.00 0.00 H new ATOM 0 HA TRP A 418 -3.676 -11.115 -1.503 1.00 0.00 H new ATOM 0 HB2 TRP A 418 -1.874 -9.484 -1.050 1.00 0.00 H new ATOM 0 HB3 TRP A 418 -1.451 -9.441 -2.750 1.00 0.00 H new ATOM 0 HD1 TRP A 418 -4.515 -8.553 -0.539 1.00 0.00 H new ATOM 0 HE1 TRP A 418 -5.690 -6.484 -1.535 1.00 0.00 H new ATOM 0 HE3 TRP A 418 -1.586 -7.881 -4.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 418 -5.399 -4.786 -3.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 418 -2.048 -6.017 -6.253 1.00 0.00 H new ATOM 0 HH2 TRP A 418 -3.949 -4.471 -5.845 1.00 0.00 H new ATOM 1236 N LYS A 419 -2.840 -11.343 -4.683 1.00 0.00 N ATOM 1237 CA LYS A 419 -3.383 -11.538 -6.040 1.00 0.00 C ATOM 1238 C LYS A 419 -4.224 -12.817 -6.164 1.00 0.00 C ATOM 1239 O LYS A 419 -5.286 -12.794 -6.787 1.00 0.00 O ATOM 1240 CB LYS A 419 -2.226 -11.584 -7.054 1.00 0.00 C ATOM 1241 CG LYS A 419 -1.650 -10.193 -7.358 1.00 0.00 C ATOM 1242 CD LYS A 419 -0.311 -10.324 -8.102 1.00 0.00 C ATOM 1243 CE LYS A 419 0.324 -8.968 -8.425 1.00 0.00 C ATOM 1244 NZ LYS A 419 -0.460 -8.182 -9.416 1.00 0.00 N ATOM 0 H LYS A 419 -1.826 -11.444 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 419 -4.043 -10.696 -6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -1.434 -12.224 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -2.578 -12.038 -7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -2.356 -9.623 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -1.506 -9.640 -6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 419 0.381 -10.909 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -0.468 -10.876 -9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 419 0.421 -8.390 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 419 1.331 -9.127 -8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 0.026 -7.283 -9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -0.547 -8.724 -10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -1.408 -7.989 -9.034 1.00 0.00 H new ATOM 1258 N ASN A 420 -3.742 -13.931 -5.606 1.00 0.00 N ATOM 1259 CA ASN A 420 -4.397 -15.244 -5.690 1.00 0.00 C ATOM 1260 C ASN A 420 -5.564 -15.459 -4.705 1.00 0.00 C ATOM 1261 O ASN A 420 -6.593 -16.027 -5.085 1.00 0.00 O ATOM 1262 CB ASN A 420 -3.326 -16.336 -5.517 1.00 0.00 C ATOM 1263 CG ASN A 420 -2.467 -16.500 -6.762 1.00 0.00 C ATOM 1264 OD1 ASN A 420 -2.848 -17.159 -7.722 1.00 0.00 O ATOM 1265 ND2 ASN A 420 -1.298 -15.907 -6.803 1.00 0.00 N ATOM 0 H ASN A 420 -2.872 -13.949 -5.074 1.00 0.00 H new ATOM 0 HA ASN A 420 -4.865 -15.298 -6.673 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.689 -16.087 -4.668 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.811 -17.284 -5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -0.710 -15.995 -7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -0.977 -15.357 -6.006 1.00 0.00 H new ATOM 1272 N CYS A 421 -5.404 -15.049 -3.448 1.00 0.00 N ATOM 1273 CA CYS A 421 -6.366 -15.229 -2.369 1.00 0.00 C ATOM 1274 C CYS A 421 -7.579 -14.283 -2.461 1.00 0.00 C ATOM 1275 O CYS A 421 -7.459 -13.090 -2.754 1.00 0.00 O ATOM 1276 CB CYS A 421 -5.629 -15.044 -1.037 1.00 0.00 C ATOM 1277 SG CYS A 421 -6.627 -15.628 0.367 1.00 0.00 S ATOM 0 H CYS A 421 -4.562 -14.561 -3.143 1.00 0.00 H new ATOM 0 HA CYS A 421 -6.780 -16.234 -2.449 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -4.685 -15.588 -1.064 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -5.386 -13.991 -0.898 1.00 0.00 H new ATOM 0 HG CYS A 421 -6.795 -14.656 1.214 1.00 0.00 H new ATOM 1282 N THR A 422 -8.756 -14.845 -2.188 1.00 0.00 N ATOM 1283 CA THR A 422 -10.071 -14.174 -2.183 1.00 0.00 C ATOM 1284 C THR A 422 -10.889 -14.490 -0.918 1.00 0.00 C ATOM 1285 O THR A 422 -12.041 -14.059 -0.796 1.00 0.00 O ATOM 1286 CB THR A 422 -10.875 -14.602 -3.427 1.00 0.00 C ATOM 1287 OG1 THR A 422 -11.143 -15.991 -3.372 1.00 0.00 O ATOM 1288 CG2 THR A 422 -10.113 -14.348 -4.727 1.00 0.00 C ATOM 0 H THR A 422 -8.830 -15.834 -1.951 1.00 0.00 H new ATOM 0 HA THR A 422 -9.885 -13.100 -2.196 1.00 0.00 H new ATOM 0 HB THR A 422 -11.790 -14.010 -3.421 1.00 0.00 H new ATOM 0 HG1 THR A 422 -11.655 -16.257 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.722 -14.666 -5.574 1.00 0.00 H new ATOM 0 HG22 THR A 422 -9.893 -13.284 -4.818 1.00 0.00 H new ATOM 0 HG23 THR A 422 -9.180 -14.912 -4.718 1.00 0.00 H new ATOM 1296 N ARG A 423 -10.300 -15.245 0.025 1.00 0.00 N ATOM 1297 CA ARG A 423 -10.908 -15.749 1.271 1.00 0.00 C ATOM 1298 C ARG A 423 -11.614 -14.681 2.107 1.00 0.00 C ATOM 1299 O ARG A 423 -11.035 -13.665 2.488 1.00 0.00 O ATOM 1300 CB ARG A 423 -9.842 -16.463 2.128 1.00 0.00 C ATOM 1301 CG ARG A 423 -9.580 -17.936 1.773 1.00 0.00 C ATOM 1302 CD ARG A 423 -9.287 -18.209 0.290 1.00 0.00 C ATOM 1303 NE ARG A 423 -8.692 -19.545 0.099 1.00 0.00 N ATOM 1304 CZ ARG A 423 -7.409 -19.857 0.175 1.00 0.00 C ATOM 1305 NH1 ARG A 423 -6.483 -18.965 0.399 1.00 0.00 N ATOM 1306 NH2 ARG A 423 -7.027 -21.094 0.030 1.00 0.00 N ATOM 0 H ARG A 423 -9.327 -15.538 -0.067 1.00 0.00 H new ATOM 0 HA ARG A 423 -11.684 -16.448 0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -8.904 -15.915 2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -10.146 -16.409 3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -8.737 -18.291 2.365 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -10.448 -18.525 2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -10.210 -18.134 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -8.608 -17.448 -0.095 1.00 0.00 H new ATOM 0 HE ARG A 423 -9.336 -20.307 -0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -6.738 -17.985 0.523 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -5.504 -19.248 0.450 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -7.718 -21.824 -0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -6.037 -21.332 0.089 1.00 0.00 H new ATOM 1320 N HIS A 424 -12.868 -14.976 2.436 1.00 0.00 N ATOM 1321 CA HIS A 424 -13.776 -14.205 3.284 1.00 0.00 C ATOM 1322 C HIS A 424 -13.319 -14.026 4.750 1.00 0.00 C ATOM 1323 O HIS A 424 -13.960 -13.284 5.492 1.00 0.00 O ATOM 1324 CB HIS A 424 -15.187 -14.815 3.191 1.00 0.00 C ATOM 1325 CG HIS A 424 -15.285 -16.328 3.246 1.00 0.00 C ATOM 1326 ND1 HIS A 424 -14.562 -17.206 4.030 1.00 0.00 N ATOM 1327 CD2 HIS A 424 -16.131 -17.089 2.484 1.00 0.00 C ATOM 1328 CE1 HIS A 424 -14.961 -18.455 3.743 1.00 0.00 C ATOM 1329 NE2 HIS A 424 -15.921 -18.438 2.802 1.00 0.00 N ATOM 0 H HIS A 424 -13.312 -15.827 2.090 1.00 0.00 H new ATOM 0 HA HIS A 424 -13.776 -13.187 2.896 1.00 0.00 H new ATOM 0 HB2 HIS A 424 -15.788 -14.406 4.004 1.00 0.00 H new ATOM 0 HB3 HIS A 424 -15.641 -14.479 2.259 1.00 0.00 H new ATOM 0 HD1 HIS A 424 -13.847 -16.949 4.711 1.00 0.00 H new ATOM 0 HD2 HIS A 424 -16.840 -16.714 1.761 1.00 0.00 H new ATOM 0 HE1 HIS A 424 -14.566 -19.349 4.204 1.00 0.00 H new ATOM 1337 N ASP A 425 -12.268 -14.728 5.191 1.00 0.00 N ATOM 1338 CA ASP A 425 -11.758 -14.731 6.570 1.00 0.00 C ATOM 1339 C ASP A 425 -10.233 -14.976 6.670 1.00 0.00 C ATOM 1340 O ASP A 425 -9.778 -15.783 7.486 1.00 0.00 O ATOM 1341 CB ASP A 425 -12.591 -15.696 7.440 1.00 0.00 C ATOM 1342 CG ASP A 425 -12.417 -17.189 7.093 1.00 0.00 C ATOM 1343 OD1 ASP A 425 -12.480 -17.548 5.891 1.00 0.00 O ATOM 1344 OD2 ASP A 425 -12.281 -18.018 8.025 1.00 0.00 O ATOM 0 H ASP A 425 -11.727 -15.334 4.574 1.00 0.00 H new ATOM 0 HA ASP A 425 -11.885 -13.725 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 425 -12.321 -15.546 8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 425 -13.645 -15.434 7.342 1.00 0.00 H new ATOM 1349 N CYS A 426 -9.425 -14.278 5.856 1.00 0.00 N ATOM 1350 CA CYS A 426 -7.960 -14.431 5.885 1.00 0.00 C ATOM 1351 C CYS A 426 -7.360 -13.433 6.910 1.00 0.00 C ATOM 1352 O CYS A 426 -7.920 -12.344 7.076 1.00 0.00 O ATOM 1353 CB CYS A 426 -7.447 -14.215 4.458 1.00 0.00 C ATOM 1354 SG CYS A 426 -5.931 -15.162 4.098 1.00 0.00 S ATOM 0 H CYS A 426 -9.761 -13.602 5.170 1.00 0.00 H new ATOM 0 HA CYS A 426 -7.655 -15.425 6.210 1.00 0.00 H new ATOM 0 HB2 CYS A 426 -8.225 -14.502 3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 426 -7.252 -13.154 4.304 1.00 0.00 H new ATOM 0 HG CYS A 426 -5.892 -15.454 2.832 1.00 0.00 H new ATOM 1359 N PRO A 427 -6.235 -13.738 7.588 1.00 0.00 N ATOM 1360 CA PRO A 427 -5.591 -12.867 8.583 1.00 0.00 C ATOM 1361 C PRO A 427 -5.235 -11.454 8.095 1.00 0.00 C ATOM 1362 O PRO A 427 -4.961 -10.571 8.909 1.00 0.00 O ATOM 1363 CB PRO A 427 -4.310 -13.594 9.015 1.00 0.00 C ATOM 1364 CG PRO A 427 -4.566 -15.053 8.658 1.00 0.00 C ATOM 1365 CD PRO A 427 -5.464 -14.954 7.430 1.00 0.00 C ATOM 0 HA PRO A 427 -6.304 -12.701 9.391 1.00 0.00 H new ATOM 0 HB2 PRO A 427 -3.436 -13.204 8.493 1.00 0.00 H new ATOM 0 HB3 PRO A 427 -4.124 -13.472 10.082 1.00 0.00 H new ATOM 0 HG2 PRO A 427 -3.639 -15.583 8.438 1.00 0.00 H new ATOM 0 HG3 PRO A 427 -5.054 -15.588 9.473 1.00 0.00 H new ATOM 0 HD2 PRO A 427 -4.871 -14.922 6.516 1.00 0.00 H new ATOM 0 HD3 PRO A 427 -6.118 -15.823 7.356 1.00 0.00 H new ATOM 1373 N VAL A 428 -5.216 -11.246 6.772 1.00 0.00 N ATOM 1374 CA VAL A 428 -4.851 -9.983 6.112 1.00 0.00 C ATOM 1375 C VAL A 428 -5.921 -9.550 5.096 1.00 0.00 C ATOM 1376 O VAL A 428 -6.284 -8.369 5.056 1.00 0.00 O ATOM 1377 CB VAL A 428 -3.459 -10.110 5.470 1.00 0.00 C ATOM 1378 CG1 VAL A 428 -2.920 -8.705 5.162 1.00 0.00 C ATOM 1379 CG2 VAL A 428 -2.438 -10.810 6.379 1.00 0.00 C ATOM 0 H VAL A 428 -5.463 -11.978 6.107 1.00 0.00 H new ATOM 0 HA VAL A 428 -4.804 -9.195 6.864 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.582 -10.713 4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -1.933 -8.786 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -3.597 -8.198 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -2.847 -8.132 6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -1.477 -10.868 5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -2.325 -10.243 7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -2.787 -11.816 6.611 1.00 0.00 H new ATOM 1389 N CYS A 429 -6.502 -10.497 4.345 1.00 0.00 N ATOM 1390 CA CYS A 429 -7.647 -10.228 3.477 1.00 0.00 C ATOM 1391 C CYS A 429 -8.883 -9.702 4.214 1.00 0.00 C ATOM 1392 O CYS A 429 -9.457 -8.744 3.717 1.00 0.00 O ATOM 1393 CB CYS A 429 -7.966 -11.363 2.490 1.00 0.00 C ATOM 1394 SG CYS A 429 -6.474 -12.289 1.996 1.00 0.00 S ATOM 0 H CYS A 429 -6.189 -11.467 4.325 1.00 0.00 H new ATOM 0 HA CYS A 429 -7.315 -9.396 2.855 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -8.682 -12.047 2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -8.443 -10.947 1.603 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.079 -13.034 2.985 1.00 0.00 H new ATOM 1399 N LEU A 430 -9.291 -10.231 5.378 1.00 0.00 N ATOM 1400 CA LEU A 430 -10.428 -9.670 6.118 1.00 0.00 C ATOM 1401 C LEU A 430 -10.213 -8.175 6.465 1.00 0.00 C ATOM 1402 O LEU A 430 -11.028 -7.342 6.043 1.00 0.00 O ATOM 1403 CB LEU A 430 -10.796 -10.540 7.326 1.00 0.00 C ATOM 1404 CG LEU A 430 -12.216 -11.102 7.282 1.00 0.00 C ATOM 1405 CD1 LEU A 430 -12.513 -11.829 8.599 1.00 0.00 C ATOM 1406 CD2 LEU A 430 -13.335 -10.086 7.060 1.00 0.00 C ATOM 0 H LEU A 430 -8.854 -11.039 5.822 1.00 0.00 H new ATOM 0 HA LEU A 430 -11.298 -9.690 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 430 -10.091 -11.369 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 430 -10.679 -9.949 8.235 1.00 0.00 H new ATOM 0 HG LEU A 430 -12.220 -11.758 6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 430 -13.526 -12.232 8.572 1.00 0.00 H new ATOM 0 HD12 LEU A 430 -11.802 -12.644 8.733 1.00 0.00 H new ATOM 0 HD13 LEU A 430 -12.423 -11.129 9.429 1.00 0.00 H new ATOM 0 HD21 LEU A 430 -14.296 -10.600 7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 430 -13.326 -9.353 7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 430 -13.182 -9.579 6.107 1.00 0.00 H new ATOM 1418 N PRO A 431 -9.107 -7.796 7.144 1.00 0.00 N ATOM 1419 CA PRO A 431 -8.731 -6.395 7.340 1.00 0.00 C ATOM 1420 C PRO A 431 -8.844 -5.555 6.062 1.00 0.00 C ATOM 1421 O PRO A 431 -9.506 -4.518 6.060 1.00 0.00 O ATOM 1422 CB PRO A 431 -7.268 -6.445 7.777 1.00 0.00 C ATOM 1423 CG PRO A 431 -7.179 -7.744 8.562 1.00 0.00 C ATOM 1424 CD PRO A 431 -8.103 -8.662 7.763 1.00 0.00 C ATOM 0 HA PRO A 431 -9.397 -5.925 8.064 1.00 0.00 H new ATOM 0 HB2 PRO A 431 -6.593 -6.446 6.921 1.00 0.00 H new ATOM 0 HB3 PRO A 431 -7.003 -5.585 8.392 1.00 0.00 H new ATOM 0 HG2 PRO A 431 -6.159 -8.127 8.603 1.00 0.00 H new ATOM 0 HG3 PRO A 431 -7.515 -7.622 9.592 1.00 0.00 H new ATOM 0 HD2 PRO A 431 -7.544 -9.213 7.006 1.00 0.00 H new ATOM 0 HD3 PRO A 431 -8.573 -9.401 8.412 1.00 0.00 H new ATOM 1432 N LEU A 432 -8.219 -6.002 4.964 1.00 0.00 N ATOM 1433 CA LEU A 432 -8.244 -5.289 3.677 1.00 0.00 C ATOM 1434 C LEU A 432 -9.635 -5.206 3.051 1.00 0.00 C ATOM 1435 O LEU A 432 -9.960 -4.219 2.397 1.00 0.00 O ATOM 1436 CB LEU A 432 -7.291 -5.971 2.689 1.00 0.00 C ATOM 1437 CG LEU A 432 -5.896 -5.338 2.824 1.00 0.00 C ATOM 1438 CD1 LEU A 432 -4.822 -6.310 2.343 1.00 0.00 C ATOM 1439 CD2 LEU A 432 -5.788 -4.040 2.019 1.00 0.00 C ATOM 0 H LEU A 432 -7.681 -6.868 4.942 1.00 0.00 H new ATOM 0 HA LEU A 432 -7.927 -4.268 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -7.241 -7.041 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -7.660 -5.857 1.670 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.745 -5.110 3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -3.840 -5.847 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -4.859 -7.219 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -4.999 -6.559 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -4.789 -3.620 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -5.971 -4.249 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -6.527 -3.325 2.381 1.00 0.00 H new