USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 421 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 425 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 429 CYS SG : rot -36:sc= 0.3 USER MOD Single : A 435 ASN : amide:sc= -0.0785 X(o=-0.079,f=-0.15) USER MOD Single : A 437 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 SER OG : rot 180:sc= 0 USER MOD Single : A 446 ASN : amide:sc= 0.922 K(o=0.92,f=-4.2!) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 THR OG1 : rot 180:sc= 0 USER MOD Single : A 451 MET CE :methyl 157:sc= -1.15 (180deg=-1.62) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 HIS : no HD1:sc= 0.415 K(o=0.41,f=-3.5!) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 MET CE :methyl 177:sc= 0 (180deg=-0.014) USER MOD Single : A 466 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 420 -10.063 2.229 5.864 1.00 0.00 N ATOM 67 CA PHE A 420 -9.373 1.001 5.487 1.00 0.00 C ATOM 68 C PHE A 420 -8.516 0.484 6.639 1.00 0.00 C ATOM 69 O PHE A 420 -8.107 1.249 7.513 1.00 0.00 O ATOM 70 CB PHE A 420 -8.499 1.240 4.254 1.00 0.00 C ATOM 71 CG PHE A 420 -9.286 1.550 3.013 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.047 2.705 2.930 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.264 0.688 1.929 1.00 0.00 C ATOM 74 CE1 PHE A 420 -10.773 2.992 1.790 1.00 0.00 C ATOM 75 CE2 PHE A 420 -9.987 0.970 0.785 1.00 0.00 C ATOM 76 CZ PHE A 420 -10.742 2.125 0.715 1.00 0.00 C ATOM 0 HA PHE A 420 -10.125 0.249 5.250 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -7.816 2.065 4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -7.887 0.356 4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -10.073 3.389 3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -8.675 -0.216 1.978 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.365 3.894 1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -9.962 0.289 -0.053 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.307 2.349 -0.178 1.00 0.00 H new ATOM 86 N GLN A 421 -8.249 -0.818 6.633 1.00 0.00 N ATOM 87 CA GLN A 421 -7.443 -1.437 7.678 1.00 0.00 C ATOM 88 C GLN A 421 -6.241 -2.162 7.080 1.00 0.00 C ATOM 89 O GLN A 421 -6.325 -2.787 6.023 1.00 0.00 O ATOM 90 CB GLN A 421 -8.290 -2.416 8.493 1.00 0.00 C ATOM 91 CG GLN A 421 -9.078 -3.396 7.639 1.00 0.00 C ATOM 92 CD GLN A 421 -10.087 -4.191 8.444 1.00 0.00 C ATOM 93 OE1 GLN A 421 -9.826 -4.574 9.584 1.00 0.00 O ATOM 94 NE2 GLN A 421 -11.250 -4.442 7.853 1.00 0.00 N ATOM 0 H GLN A 421 -8.579 -1.464 5.916 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.079 -0.648 8.336 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -7.639 -2.975 9.165 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -8.983 -1.852 9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -9.597 -2.850 6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -8.387 -4.083 7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -11.424 -4.105 6.906 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -11.969 -4.972 8.346 1.00 0.00 H new ATOM 103 N PRO A 422 -5.095 -2.077 7.771 1.00 0.00 N ATOM 104 CA PRO A 422 -3.854 -2.719 7.327 1.00 0.00 C ATOM 105 C PRO A 422 -3.918 -4.239 7.431 1.00 0.00 C ATOM 106 O PRO A 422 -4.816 -4.790 8.067 1.00 0.00 O ATOM 107 CB PRO A 422 -2.802 -2.162 8.290 1.00 0.00 C ATOM 108 CG PRO A 422 -3.567 -1.795 9.515 1.00 0.00 C ATOM 109 CD PRO A 422 -4.922 -1.349 9.039 1.00 0.00 C ATOM 0 HA PRO A 422 -3.643 -2.514 6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -2.034 -2.904 8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.295 -1.295 7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.652 -2.645 10.192 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.065 -0.999 10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.703 -1.601 9.757 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -4.961 -0.270 8.891 1.00 0.00 H new ATOM 117 N GLY A 423 -2.960 -4.912 6.802 1.00 0.00 N ATOM 118 CA GLY A 423 -2.926 -6.363 6.836 1.00 0.00 C ATOM 119 C GLY A 423 -3.407 -6.985 5.540 1.00 0.00 C ATOM 120 O GLY A 423 -2.870 -7.998 5.093 1.00 0.00 O ATOM 0 H GLY A 423 -2.206 -4.478 6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.908 -6.695 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.547 -6.719 7.658 1.00 0.00 H new ATOM 124 N ASP A 424 -4.423 -6.378 4.936 1.00 0.00 N ATOM 125 CA ASP A 424 -4.977 -6.879 3.684 1.00 0.00 C ATOM 126 C ASP A 424 -3.960 -6.760 2.553 1.00 0.00 C ATOM 127 O ASP A 424 -2.969 -6.041 2.670 1.00 0.00 O ATOM 128 CB ASP A 424 -6.251 -6.113 3.323 1.00 0.00 C ATOM 129 CG ASP A 424 -7.467 -6.627 4.068 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.508 -7.837 4.374 1.00 0.00 O ATOM 131 OD2 ASP A 424 -8.377 -5.819 4.347 1.00 0.00 O ATOM 0 H ASP A 424 -4.879 -5.539 5.293 1.00 0.00 H new ATOM 0 HA ASP A 424 -5.221 -7.933 3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -6.111 -5.056 3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.426 -6.191 2.250 1.00 0.00 H new ATOM 136 N ASN A 425 -4.212 -7.472 1.460 1.00 0.00 N ATOM 137 CA ASN A 425 -3.317 -7.448 0.309 1.00 0.00 C ATOM 138 C ASN A 425 -3.855 -6.523 -0.779 1.00 0.00 C ATOM 139 O ASN A 425 -5.030 -6.589 -1.140 1.00 0.00 O ATOM 140 CB ASN A 425 -3.135 -8.860 -0.252 1.00 0.00 C ATOM 141 CG ASN A 425 -2.127 -9.671 0.540 1.00 0.00 C ATOM 142 OD1 ASN A 425 -1.000 -9.885 0.096 1.00 0.00 O ATOM 143 ND2 ASN A 425 -2.531 -10.126 1.721 1.00 0.00 N ATOM 0 H ASN A 425 -5.029 -8.073 1.347 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.350 -7.068 0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -4.095 -9.376 -0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -2.811 -8.796 -1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -1.897 -10.677 2.299 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.475 -9.924 2.049 1.00 0.00 H new ATOM 150 N VAL A 426 -2.986 -5.661 -1.298 1.00 0.00 N ATOM 151 CA VAL A 426 -3.372 -4.724 -2.346 1.00 0.00 C ATOM 152 C VAL A 426 -2.221 -4.480 -3.316 1.00 0.00 C ATOM 153 O VAL A 426 -1.090 -4.895 -3.069 1.00 0.00 O ATOM 154 CB VAL A 426 -3.824 -3.376 -1.753 1.00 0.00 C ATOM 155 CG1 VAL A 426 -5.139 -3.535 -1.005 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.748 -2.807 -0.841 1.00 0.00 C ATOM 0 H VAL A 426 -2.010 -5.592 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.206 -5.175 -2.883 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.982 -2.674 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -5.442 -2.572 -0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.906 -3.894 -1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -5.012 -4.253 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -3.085 -1.855 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.555 -3.505 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.832 -2.653 -1.411 1.00 0.00 H new ATOM 166 N GLU A 427 -2.519 -3.802 -4.420 1.00 0.00 N ATOM 167 CA GLU A 427 -1.509 -3.503 -5.428 1.00 0.00 C ATOM 168 C GLU A 427 -1.821 -2.189 -6.138 1.00 0.00 C ATOM 169 O GLU A 427 -2.984 -1.831 -6.321 1.00 0.00 O ATOM 170 CB GLU A 427 -1.423 -4.640 -6.449 1.00 0.00 C ATOM 171 CG GLU A 427 -0.493 -4.343 -7.614 1.00 0.00 C ATOM 172 CD GLU A 427 -0.734 -5.256 -8.800 1.00 0.00 C ATOM 173 OE1 GLU A 427 -1.680 -4.992 -9.571 1.00 0.00 O ATOM 174 OE2 GLU A 427 0.024 -6.236 -8.956 1.00 0.00 O ATOM 0 H GLU A 427 -3.451 -3.450 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.548 -3.404 -4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.083 -5.545 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.421 -4.846 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -0.626 -3.307 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.541 -4.447 -7.284 1.00 0.00 H new ATOM 181 N VAL A 428 -0.773 -1.475 -6.537 1.00 0.00 N ATOM 182 CA VAL A 428 -0.934 -0.201 -7.228 1.00 0.00 C ATOM 183 C VAL A 428 -1.700 -0.378 -8.534 1.00 0.00 C ATOM 184 O VAL A 428 -1.384 -1.257 -9.337 1.00 0.00 O ATOM 185 CB VAL A 428 0.429 0.451 -7.528 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.246 1.708 -8.364 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.166 0.763 -6.234 1.00 0.00 C ATOM 0 H VAL A 428 0.197 -1.757 -6.394 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.501 0.451 -6.563 1.00 0.00 H new ATOM 0 HB VAL A 428 1.032 -0.253 -8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.219 2.155 -8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.238 1.451 -9.306 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.374 2.420 -7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.127 1.223 -6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.570 1.449 -5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.330 -0.160 -5.677 1.00 0.00 H new ATOM 197 N CYS A 429 -2.707 0.463 -8.741 1.00 0.00 N ATOM 198 CA CYS A 429 -3.519 0.401 -9.951 1.00 0.00 C ATOM 199 C CYS A 429 -3.239 1.596 -10.857 1.00 0.00 C ATOM 200 O CYS A 429 -3.513 1.555 -12.056 1.00 0.00 O ATOM 201 CB CYS A 429 -5.005 0.355 -9.592 1.00 0.00 C ATOM 202 SG CYS A 429 -5.567 1.756 -8.597 1.00 0.00 S ATOM 0 H CYS A 429 -2.981 1.196 -8.087 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.254 -0.509 -10.489 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -5.589 0.319 -10.512 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -5.208 -0.568 -9.049 1.00 0.00 H new ATOM 0 HG CYS A 429 -4.626 2.107 -7.771 1.00 0.00 H new ATOM 208 N GLU A 430 -2.693 2.658 -10.273 1.00 0.00 N ATOM 209 CA GLU A 430 -2.379 3.866 -11.028 1.00 0.00 C ATOM 210 C GLU A 430 -1.089 4.505 -10.520 1.00 0.00 C ATOM 211 O GLU A 430 -0.677 4.278 -9.383 1.00 0.00 O ATOM 212 CB GLU A 430 -3.530 4.869 -10.930 1.00 0.00 C ATOM 213 CG GLU A 430 -3.498 5.940 -12.008 1.00 0.00 C ATOM 214 CD GLU A 430 -4.868 6.524 -12.291 1.00 0.00 C ATOM 215 OE1 GLU A 430 -5.664 5.858 -12.985 1.00 0.00 O ATOM 216 OE2 GLU A 430 -5.144 7.647 -11.819 1.00 0.00 O ATOM 0 H GLU A 430 -2.459 2.707 -9.281 1.00 0.00 H new ATOM 0 HA GLU A 430 -2.239 3.585 -12.072 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -4.476 4.331 -10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -3.500 5.349 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -2.823 6.739 -11.701 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -3.092 5.514 -12.926 1.00 0.00 H new ATOM 223 N GLY A 431 -0.456 5.304 -11.373 1.00 0.00 N ATOM 224 CA GLY A 431 0.780 5.963 -10.994 1.00 0.00 C ATOM 225 C GLY A 431 2.002 5.289 -11.587 1.00 0.00 C ATOM 226 O GLY A 431 1.902 4.206 -12.163 1.00 0.00 O ATOM 0 H GLY A 431 -0.777 5.507 -12.320 1.00 0.00 H new ATOM 0 HA2 GLY A 431 0.748 7.003 -11.320 1.00 0.00 H new ATOM 0 HA3 GLY A 431 0.865 5.972 -9.907 1.00 0.00 H new ATOM 230 N GLU A 432 3.157 5.932 -11.448 1.00 0.00 N ATOM 231 CA GLU A 432 4.402 5.388 -11.977 1.00 0.00 C ATOM 232 C GLU A 432 4.775 4.091 -11.264 1.00 0.00 C ATOM 233 O GLU A 432 5.392 3.201 -11.852 1.00 0.00 O ATOM 234 CB GLU A 432 5.533 6.407 -11.830 1.00 0.00 C ATOM 235 CG GLU A 432 6.908 5.841 -12.145 1.00 0.00 C ATOM 236 CD GLU A 432 7.259 5.946 -13.616 1.00 0.00 C ATOM 237 OE1 GLU A 432 6.749 5.124 -14.407 1.00 0.00 O ATOM 238 OE2 GLU A 432 8.043 6.848 -13.977 1.00 0.00 O ATOM 0 H GLU A 432 3.256 6.830 -10.974 1.00 0.00 H new ATOM 0 HA GLU A 432 4.254 5.171 -13.035 1.00 0.00 H new ATOM 0 HB2 GLU A 432 5.337 7.252 -12.490 1.00 0.00 H new ATOM 0 HB3 GLU A 432 5.533 6.792 -10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 432 7.658 6.371 -11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 432 6.945 4.795 -11.840 1.00 0.00 H new ATOM 245 N LEU A 433 4.399 3.991 -9.994 1.00 0.00 N ATOM 246 CA LEU A 433 4.694 2.804 -9.200 1.00 0.00 C ATOM 247 C LEU A 433 3.649 1.718 -9.434 1.00 0.00 C ATOM 248 O LEU A 433 3.198 1.064 -8.494 1.00 0.00 O ATOM 249 CB LEU A 433 4.749 3.162 -7.713 1.00 0.00 C ATOM 250 CG LEU A 433 5.974 3.957 -7.259 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.702 4.641 -5.928 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.191 3.050 -7.156 1.00 0.00 C ATOM 0 H LEU A 433 3.889 4.718 -9.492 1.00 0.00 H new ATOM 0 HA LEU A 433 5.665 2.421 -9.512 1.00 0.00 H new ATOM 0 HB2 LEU A 433 3.856 3.736 -7.465 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.706 2.239 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 433 6.181 4.725 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 433 6.584 5.202 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 433 4.858 5.322 -6.035 1.00 0.00 H new ATOM 0 HD13 LEU A 433 5.469 3.890 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 433 8.053 3.633 -6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 433 6.995 2.259 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.398 2.607 -8.130 1.00 0.00 H new ATOM 264 N ILE A 434 3.272 1.530 -10.694 1.00 0.00 N ATOM 265 CA ILE A 434 2.283 0.521 -11.053 1.00 0.00 C ATOM 266 C ILE A 434 2.862 -0.884 -10.929 1.00 0.00 C ATOM 267 O ILE A 434 4.071 -1.058 -10.786 1.00 0.00 O ATOM 268 CB ILE A 434 1.765 0.725 -12.489 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.472 -0.064 -12.705 1.00 0.00 C ATOM 270 CG2 ILE A 434 2.823 0.307 -13.498 1.00 0.00 C ATOM 271 CD1 ILE A 434 -0.378 0.466 -13.838 1.00 0.00 C ATOM 0 H ILE A 434 3.636 2.063 -11.484 1.00 0.00 H new ATOM 0 HA ILE A 434 1.452 0.633 -10.357 1.00 0.00 H new ATOM 0 HB ILE A 434 1.550 1.784 -12.635 1.00 0.00 H new ATOM 0 HG12 ILE A 434 0.721 -1.106 -12.905 1.00 0.00 H new ATOM 0 HG13 ILE A 434 -0.112 -0.047 -11.785 1.00 0.00 H new ATOM 0 HG21 ILE A 434 2.442 0.457 -14.508 1.00 0.00 H new ATOM 0 HG22 ILE A 434 3.720 0.910 -13.355 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.067 -0.746 -13.355 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -1.278 -0.142 -13.933 1.00 0.00 H new ATOM 0 HD12 ILE A 434 -0.658 1.499 -13.631 1.00 0.00 H new ATOM 0 HD13 ILE A 434 0.188 0.423 -14.768 1.00 0.00 H new ATOM 283 N ASN A 435 1.989 -1.885 -10.986 1.00 0.00 N ATOM 284 CA ASN A 435 2.414 -3.276 -10.881 1.00 0.00 C ATOM 285 C ASN A 435 3.180 -3.515 -9.583 1.00 0.00 C ATOM 286 O ASN A 435 4.107 -4.325 -9.537 1.00 0.00 O ATOM 287 CB ASN A 435 3.287 -3.656 -12.079 1.00 0.00 C ATOM 288 CG ASN A 435 2.482 -3.814 -13.354 1.00 0.00 C ATOM 289 OD1 ASN A 435 1.478 -4.526 -13.384 1.00 0.00 O ATOM 290 ND2 ASN A 435 2.920 -3.147 -14.416 1.00 0.00 N ATOM 0 H ASN A 435 0.984 -1.759 -11.104 1.00 0.00 H new ATOM 0 HA ASN A 435 1.522 -3.903 -10.876 1.00 0.00 H new ATOM 0 HB2 ASN A 435 4.050 -2.891 -12.226 1.00 0.00 H new ATOM 0 HB3 ASN A 435 3.808 -4.589 -11.864 1.00 0.00 H new ATOM 0 HD21 ASN A 435 2.419 -3.213 -15.302 1.00 0.00 H new ATOM 0 HD22 ASN A 435 3.757 -2.568 -14.345 1.00 0.00 H new ATOM 297 N LEU A 436 2.786 -2.806 -8.531 1.00 0.00 N ATOM 298 CA LEU A 436 3.434 -2.941 -7.232 1.00 0.00 C ATOM 299 C LEU A 436 2.474 -3.531 -6.203 1.00 0.00 C ATOM 300 O LEU A 436 1.584 -2.842 -5.705 1.00 0.00 O ATOM 301 CB LEU A 436 3.943 -1.581 -6.750 1.00 0.00 C ATOM 302 CG LEU A 436 4.934 -1.609 -5.586 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.260 -2.208 -6.028 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.139 -0.208 -5.027 1.00 0.00 C ATOM 0 H LEU A 436 2.021 -2.132 -8.552 1.00 0.00 H new ATOM 0 HA LEU A 436 4.279 -3.620 -7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.416 -1.074 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.084 -0.978 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 436 4.521 -2.237 -4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.953 -2.220 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 436 6.100 -3.227 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.680 -1.607 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 436 5.847 -0.247 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.530 0.442 -5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.186 0.185 -4.671 1.00 0.00 H new ATOM 316 N GLN A 437 2.664 -4.808 -5.889 1.00 0.00 N ATOM 317 CA GLN A 437 1.816 -5.490 -4.918 1.00 0.00 C ATOM 318 C GLN A 437 2.521 -5.613 -3.571 1.00 0.00 C ATOM 319 O GLN A 437 3.746 -5.533 -3.491 1.00 0.00 O ATOM 320 CB GLN A 437 1.429 -6.877 -5.433 1.00 0.00 C ATOM 321 CG GLN A 437 2.619 -7.723 -5.857 1.00 0.00 C ATOM 322 CD GLN A 437 2.213 -9.102 -6.338 1.00 0.00 C ATOM 323 OE1 GLN A 437 1.046 -9.346 -6.648 1.00 0.00 O ATOM 324 NE2 GLN A 437 3.176 -10.013 -6.404 1.00 0.00 N ATOM 0 H GLN A 437 3.397 -5.391 -6.292 1.00 0.00 H new ATOM 0 HA GLN A 437 0.912 -4.896 -4.782 1.00 0.00 H new ATOM 0 HB2 GLN A 437 0.878 -7.404 -4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 437 0.753 -6.765 -6.281 1.00 0.00 H new ATOM 0 HG2 GLN A 437 3.160 -7.210 -6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 437 3.306 -7.823 -5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 437 4.129 -9.767 -6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 437 2.963 -10.959 -6.721 1.00 0.00 H new ATOM 333 N GLY A 438 1.737 -5.807 -2.515 1.00 0.00 N ATOM 334 CA GLY A 438 2.304 -5.937 -1.185 1.00 0.00 C ATOM 335 C GLY A 438 1.245 -5.941 -0.101 1.00 0.00 C ATOM 336 O GLY A 438 0.050 -5.868 -0.389 1.00 0.00 O ATOM 0 H GLY A 438 0.720 -5.876 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 438 2.881 -6.860 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.998 -5.116 -1.007 1.00 0.00 H new ATOM 340 N LYS A 439 1.681 -6.028 1.151 1.00 0.00 N ATOM 341 CA LYS A 439 0.763 -6.041 2.283 1.00 0.00 C ATOM 342 C LYS A 439 0.665 -4.659 2.921 1.00 0.00 C ATOM 343 O LYS A 439 1.614 -3.876 2.875 1.00 0.00 O ATOM 344 CB LYS A 439 1.221 -7.065 3.325 1.00 0.00 C ATOM 345 CG LYS A 439 0.623 -8.446 3.125 1.00 0.00 C ATOM 346 CD LYS A 439 1.470 -9.522 3.784 1.00 0.00 C ATOM 347 CE LYS A 439 1.369 -10.845 3.040 1.00 0.00 C ATOM 348 NZ LYS A 439 1.545 -12.008 3.953 1.00 0.00 N ATOM 0 H LYS A 439 2.666 -6.091 1.407 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.224 -6.322 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 439 2.308 -7.141 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 439 0.955 -6.704 4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -0.385 -8.470 3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 439 0.534 -8.654 2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 439 2.511 -9.199 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 439 1.148 -9.658 4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 439 0.398 -10.912 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 439 2.126 -10.880 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 1.470 -12.891 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 2.481 -11.958 4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 0.807 -11.989 4.686 1.00 0.00 H new ATOM 362 N ILE A 440 -0.487 -4.368 3.516 1.00 0.00 N ATOM 363 CA ILE A 440 -0.706 -3.081 4.165 1.00 0.00 C ATOM 364 C ILE A 440 -0.250 -3.114 5.620 1.00 0.00 C ATOM 365 O ILE A 440 -0.502 -4.082 6.340 1.00 0.00 O ATOM 366 CB ILE A 440 -2.190 -2.671 4.114 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.724 -2.785 2.685 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.366 -1.254 4.639 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.208 -2.516 2.571 1.00 0.00 C ATOM 0 H ILE A 440 -1.282 -5.005 3.562 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.115 -2.347 3.618 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.761 -3.347 4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.186 -2.083 2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.514 -3.785 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.420 -0.979 4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.019 -1.203 5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.786 -0.564 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.517 -2.614 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.756 -3.234 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.422 -1.506 2.919 1.00 0.00 H new ATOM 381 N LEU A 441 0.423 -2.051 6.047 1.00 0.00 N ATOM 382 CA LEU A 441 0.914 -1.957 7.418 1.00 0.00 C ATOM 383 C LEU A 441 -0.025 -1.114 8.275 1.00 0.00 C ATOM 384 O LEU A 441 -0.456 -1.543 9.346 1.00 0.00 O ATOM 385 CB LEU A 441 2.319 -1.354 7.436 1.00 0.00 C ATOM 386 CG LEU A 441 3.445 -2.259 6.933 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.742 -1.476 6.803 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.629 -3.449 7.864 1.00 0.00 C ATOM 0 H LEU A 441 0.641 -1.243 5.464 1.00 0.00 H new ATOM 0 HA LEU A 441 0.952 -2.963 7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.311 -0.447 6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.551 -1.054 8.458 1.00 0.00 H new ATOM 0 HG LEU A 441 3.171 -2.634 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.531 -2.136 6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.604 -0.658 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.022 -1.072 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.434 -4.082 7.491 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.880 -3.094 8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.704 -4.025 7.906 1.00 0.00 H new ATOM 400 N SER A 442 -0.338 0.086 7.797 1.00 0.00 N ATOM 401 CA SER A 442 -1.224 0.990 8.521 1.00 0.00 C ATOM 402 C SER A 442 -1.993 1.885 7.555 1.00 0.00 C ATOM 403 O SER A 442 -1.745 1.875 6.349 1.00 0.00 O ATOM 404 CB SER A 442 -0.422 1.848 9.501 1.00 0.00 C ATOM 405 OG SER A 442 -1.202 2.193 10.633 1.00 0.00 O ATOM 0 H SER A 442 0.009 0.455 6.911 1.00 0.00 H new ATOM 0 HA SER A 442 -1.940 0.387 9.079 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.468 1.306 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 442 -0.081 2.754 9.001 1.00 0.00 H new ATOM 0 HG SER A 442 -0.666 2.740 11.245 1.00 0.00 H new ATOM 411 N VAL A 443 -2.930 2.660 8.094 1.00 0.00 N ATOM 412 CA VAL A 443 -3.736 3.563 7.281 1.00 0.00 C ATOM 413 C VAL A 443 -3.732 4.974 7.859 1.00 0.00 C ATOM 414 O VAL A 443 -4.219 5.203 8.966 1.00 0.00 O ATOM 415 CB VAL A 443 -5.190 3.070 7.169 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.024 4.048 6.355 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.235 1.679 6.555 1.00 0.00 C ATOM 0 H VAL A 443 -3.149 2.680 9.090 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.288 3.579 6.287 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.615 3.014 8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.049 3.683 6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.018 5.024 6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.604 4.139 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.270 1.346 6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -4.793 1.706 5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.674 0.986 7.182 1.00 0.00 H new ATOM 427 N ASP A 444 -3.180 5.916 7.102 1.00 0.00 N ATOM 428 CA ASP A 444 -3.114 7.306 7.539 1.00 0.00 C ATOM 429 C ASP A 444 -4.040 8.183 6.701 1.00 0.00 C ATOM 430 O ASP A 444 -3.608 8.819 5.741 1.00 0.00 O ATOM 431 CB ASP A 444 -1.678 7.824 7.446 1.00 0.00 C ATOM 432 CG ASP A 444 -1.478 9.116 8.213 1.00 0.00 C ATOM 433 OD1 ASP A 444 -2.112 9.278 9.277 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.688 9.966 7.750 1.00 0.00 O ATOM 0 H ASP A 444 -2.772 5.743 6.183 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.442 7.351 8.578 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -0.996 7.066 7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -1.419 7.983 6.399 1.00 0.00 H new ATOM 439 N GLY A 445 -5.316 8.210 7.072 1.00 0.00 N ATOM 440 CA GLY A 445 -6.283 9.011 6.344 1.00 0.00 C ATOM 441 C GLY A 445 -6.209 8.790 4.846 1.00 0.00 C ATOM 442 O GLY A 445 -6.588 7.730 4.349 1.00 0.00 O ATOM 0 H GLY A 445 -5.698 7.692 7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.287 8.770 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.114 10.066 6.561 1.00 0.00 H new ATOM 446 N ASN A 446 -5.720 9.793 4.124 1.00 0.00 N ATOM 447 CA ASN A 446 -5.599 9.704 2.674 1.00 0.00 C ATOM 448 C ASN A 446 -4.379 8.877 2.279 1.00 0.00 C ATOM 449 O ASN A 446 -4.385 8.189 1.258 1.00 0.00 O ATOM 450 CB ASN A 446 -5.501 11.103 2.062 1.00 0.00 C ATOM 451 CG ASN A 446 -4.545 12.001 2.823 1.00 0.00 C ATOM 452 OD1 ASN A 446 -4.733 12.260 4.012 1.00 0.00 O ATOM 453 ND2 ASN A 446 -3.513 12.481 2.139 1.00 0.00 N ATOM 0 H ASN A 446 -5.401 10.677 4.520 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.491 9.209 2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -5.172 11.021 1.026 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -6.490 11.560 2.047 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -2.836 13.091 2.598 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -3.397 12.240 1.155 1.00 0.00 H new ATOM 460 N LYS A 447 -3.333 8.950 3.095 1.00 0.00 N ATOM 461 CA LYS A 447 -2.106 8.208 2.835 1.00 0.00 C ATOM 462 C LYS A 447 -2.163 6.821 3.467 1.00 0.00 C ATOM 463 O LYS A 447 -2.630 6.663 4.596 1.00 0.00 O ATOM 464 CB LYS A 447 -0.897 8.976 3.373 1.00 0.00 C ATOM 465 CG LYS A 447 -0.471 10.137 2.491 1.00 0.00 C ATOM 466 CD LYS A 447 0.345 11.157 3.266 1.00 0.00 C ATOM 467 CE LYS A 447 0.635 12.393 2.428 1.00 0.00 C ATOM 468 NZ LYS A 447 1.845 12.216 1.578 1.00 0.00 N ATOM 0 H LYS A 447 -3.311 9.516 3.943 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.004 8.092 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.131 9.354 4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.059 8.287 3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.116 9.762 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.354 10.619 2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.194 11.446 4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.284 10.705 3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -0.225 12.612 1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 447 0.775 13.252 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 2.009 13.080 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 2.671 12.032 2.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 1.702 11.412 0.934 1.00 0.00 H new ATOM 482 N ILE A 448 -1.684 5.821 2.735 1.00 0.00 N ATOM 483 CA ILE A 448 -1.679 4.449 3.227 1.00 0.00 C ATOM 484 C ILE A 448 -0.259 3.898 3.304 1.00 0.00 C ATOM 485 O ILE A 448 0.360 3.599 2.282 1.00 0.00 O ATOM 486 CB ILE A 448 -2.527 3.527 2.332 1.00 0.00 C ATOM 487 CG1 ILE A 448 -3.907 4.143 2.091 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.659 2.150 2.964 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.745 4.259 3.345 1.00 0.00 C ATOM 0 H ILE A 448 -1.294 5.935 1.799 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.113 4.471 4.227 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.026 3.417 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.782 5.134 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.443 3.538 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.261 1.510 2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.669 1.711 3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.141 2.241 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.709 4.704 3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -4.901 3.268 3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.230 4.889 4.070 1.00 0.00 H new ATOM 501 N THR A 449 0.253 3.764 4.524 1.00 0.00 N ATOM 502 CA THR A 449 1.599 3.248 4.736 1.00 0.00 C ATOM 503 C THR A 449 1.628 1.728 4.629 1.00 0.00 C ATOM 504 O THR A 449 1.011 1.028 5.432 1.00 0.00 O ATOM 505 CB THR A 449 2.151 3.666 6.112 1.00 0.00 C ATOM 506 OG1 THR A 449 1.822 5.034 6.377 1.00 0.00 O ATOM 507 CG2 THR A 449 3.659 3.481 6.169 1.00 0.00 C ATOM 0 H THR A 449 -0.245 4.006 5.380 1.00 0.00 H new ATOM 0 HA THR A 449 2.228 3.676 3.956 1.00 0.00 H new ATOM 0 HB THR A 449 1.694 3.030 6.870 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.175 5.291 7.254 1.00 0.00 H new ATOM 0 HG21 THR A 449 4.026 3.783 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.904 2.433 5.997 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.130 4.095 5.401 1.00 0.00 H new ATOM 515 N ILE A 450 2.349 1.223 3.633 1.00 0.00 N ATOM 516 CA ILE A 450 2.460 -0.215 3.423 1.00 0.00 C ATOM 517 C ILE A 450 3.902 -0.620 3.138 1.00 0.00 C ATOM 518 O ILE A 450 4.797 0.224 3.098 1.00 0.00 O ATOM 519 CB ILE A 450 1.567 -0.684 2.259 1.00 0.00 C ATOM 520 CG1 ILE A 450 2.090 -0.131 0.932 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.127 -0.253 2.489 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.802 -1.028 -0.252 1.00 0.00 C ATOM 0 H ILE A 450 2.865 1.789 2.959 1.00 0.00 H new ATOM 0 HA ILE A 450 2.126 -0.695 4.343 1.00 0.00 H new ATOM 0 HB ILE A 450 1.596 -1.773 2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.643 0.847 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.167 0.020 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.491 -0.592 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.240 -0.691 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 450 0.079 0.834 2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 450 2.201 -0.573 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.272 -1.999 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.725 -1.159 -0.356 1.00 0.00 H new ATOM 534 N MET A 451 4.119 -1.916 2.940 1.00 0.00 N ATOM 535 CA MET A 451 5.453 -2.432 2.655 1.00 0.00 C ATOM 536 C MET A 451 5.433 -3.347 1.435 1.00 0.00 C ATOM 537 O MET A 451 4.937 -4.473 1.481 1.00 0.00 O ATOM 538 CB MET A 451 5.999 -3.190 3.867 1.00 0.00 C ATOM 539 CG MET A 451 7.517 -3.259 3.907 1.00 0.00 C ATOM 540 SD MET A 451 8.189 -4.458 2.740 1.00 0.00 S ATOM 541 CE MET A 451 9.400 -3.455 1.883 1.00 0.00 C ATOM 0 H MET A 451 3.389 -2.628 2.972 1.00 0.00 H new ATOM 0 HA MET A 451 6.105 -1.585 2.441 1.00 0.00 H new ATOM 0 HB2 MET A 451 5.641 -2.709 4.777 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.597 -4.203 3.863 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.928 -2.274 3.686 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.839 -3.520 4.915 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.160 -4.100 1.442 1.00 0.00 H new ATOM 0 HE2 MET A 451 8.908 -2.884 1.096 1.00 0.00 H new ATOM 0 HE3 MET A 451 9.870 -2.770 2.589 1.00 0.00 H new ATOM 551 N PRO A 452 5.983 -2.854 0.315 1.00 0.00 N ATOM 552 CA PRO A 452 6.041 -3.612 -0.938 1.00 0.00 C ATOM 553 C PRO A 452 7.010 -4.787 -0.862 1.00 0.00 C ATOM 554 O PRO A 452 8.005 -4.738 -0.139 1.00 0.00 O ATOM 555 CB PRO A 452 6.532 -2.578 -1.955 1.00 0.00 C ATOM 556 CG PRO A 452 7.286 -1.580 -1.146 1.00 0.00 C ATOM 557 CD PRO A 452 6.593 -1.520 0.187 1.00 0.00 C ATOM 0 HA PRO A 452 5.078 -4.055 -1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.169 -3.038 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.698 -2.113 -2.481 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.328 -1.878 -1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.285 -0.604 -1.631 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.295 -1.320 0.996 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.842 -0.730 0.214 1.00 0.00 H new ATOM 565 N LYS A 453 6.712 -5.842 -1.612 1.00 0.00 N ATOM 566 CA LYS A 453 7.558 -7.030 -1.631 1.00 0.00 C ATOM 567 C LYS A 453 8.648 -6.905 -2.690 1.00 0.00 C ATOM 568 O LYS A 453 8.450 -7.279 -3.847 1.00 0.00 O ATOM 569 CB LYS A 453 6.713 -8.278 -1.898 1.00 0.00 C ATOM 570 CG LYS A 453 5.790 -8.645 -0.749 1.00 0.00 C ATOM 571 CD LYS A 453 6.560 -9.249 0.413 1.00 0.00 C ATOM 572 CE LYS A 453 6.852 -10.724 0.183 1.00 0.00 C ATOM 573 NZ LYS A 453 7.715 -11.293 1.255 1.00 0.00 N ATOM 0 H LYS A 453 5.891 -5.899 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 453 8.034 -7.123 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 453 6.116 -8.117 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.376 -9.118 -2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.257 -7.756 -0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 453 5.039 -9.354 -1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 453 7.497 -8.709 0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 453 5.986 -9.130 1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.914 -11.277 0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 453 7.341 -10.851 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 7.891 -12.300 1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 8.620 -10.782 1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 7.237 -11.195 2.174 1.00 0.00 H new ATOM 587 N HIS A 454 9.800 -6.378 -2.288 1.00 0.00 N ATOM 588 CA HIS A 454 10.923 -6.206 -3.203 1.00 0.00 C ATOM 589 C HIS A 454 12.232 -6.056 -2.434 1.00 0.00 C ATOM 590 O HIS A 454 12.384 -5.143 -1.622 1.00 0.00 O ATOM 591 CB HIS A 454 10.699 -4.985 -4.095 1.00 0.00 C ATOM 592 CG HIS A 454 11.386 -5.078 -5.422 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.624 -5.662 -5.589 1.00 0.00 N ATOM 594 CD2 HIS A 454 11.001 -4.659 -6.650 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.971 -5.596 -6.862 1.00 0.00 C ATOM 596 NE2 HIS A 454 12.003 -4.993 -7.527 1.00 0.00 N ATOM 0 H HIS A 454 9.981 -6.063 -1.335 1.00 0.00 H new ATOM 0 HA HIS A 454 10.990 -7.096 -3.829 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.629 -4.856 -4.258 1.00 0.00 H new ATOM 0 HB3 HIS A 454 11.052 -4.095 -3.574 1.00 0.00 H new ATOM 0 HD2 HIS A 454 10.077 -4.156 -6.895 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.890 -5.972 -7.287 1.00 0.00 H new ATOM 0 HE2 HIS A 454 12.000 -4.806 -8.530 1.00 0.00 H new ATOM 604 N GLU A 455 13.174 -6.957 -2.696 1.00 0.00 N ATOM 605 CA GLU A 455 14.469 -6.925 -2.026 1.00 0.00 C ATOM 606 C GLU A 455 15.190 -5.608 -2.301 1.00 0.00 C ATOM 607 O GLU A 455 16.072 -5.202 -1.545 1.00 0.00 O ATOM 608 CB GLU A 455 15.335 -8.099 -2.486 1.00 0.00 C ATOM 609 CG GLU A 455 15.455 -8.212 -3.996 1.00 0.00 C ATOM 610 CD GLU A 455 16.514 -9.209 -4.424 1.00 0.00 C ATOM 611 OE1 GLU A 455 17.704 -8.832 -4.461 1.00 0.00 O ATOM 612 OE2 GLU A 455 16.154 -10.367 -4.723 1.00 0.00 O ATOM 0 H GLU A 455 13.065 -7.717 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 455 14.297 -7.009 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 455 16.332 -7.994 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 455 14.915 -9.025 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 455 14.492 -8.509 -4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 455 15.694 -7.233 -4.412 1.00 0.00 H new ATOM 619 N ASP A 456 14.808 -4.947 -3.388 1.00 0.00 N ATOM 620 CA ASP A 456 15.417 -3.676 -3.763 1.00 0.00 C ATOM 621 C ASP A 456 14.976 -2.562 -2.819 1.00 0.00 C ATOM 622 O ASP A 456 15.780 -1.722 -2.415 1.00 0.00 O ATOM 623 CB ASP A 456 15.050 -3.316 -5.204 1.00 0.00 C ATOM 624 CG ASP A 456 15.840 -2.131 -5.723 1.00 0.00 C ATOM 625 OD1 ASP A 456 17.074 -2.257 -5.867 1.00 0.00 O ATOM 626 OD2 ASP A 456 15.224 -1.076 -5.985 1.00 0.00 O ATOM 0 H ASP A 456 14.080 -5.270 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 456 16.499 -3.784 -3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 456 15.228 -4.178 -5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 456 13.985 -3.091 -5.259 1.00 0.00 H new ATOM 631 N LEU A 457 13.694 -2.561 -2.473 1.00 0.00 N ATOM 632 CA LEU A 457 13.144 -1.549 -1.577 1.00 0.00 C ATOM 633 C LEU A 457 13.176 -2.029 -0.129 1.00 0.00 C ATOM 634 O LEU A 457 12.219 -2.631 0.358 1.00 0.00 O ATOM 635 CB LEU A 457 11.709 -1.207 -1.981 1.00 0.00 C ATOM 636 CG LEU A 457 11.552 -0.109 -3.034 1.00 0.00 C ATOM 637 CD1 LEU A 457 10.164 -0.158 -3.654 1.00 0.00 C ATOM 638 CD2 LEU A 457 11.816 1.259 -2.421 1.00 0.00 C ATOM 0 H LEU A 457 13.015 -3.249 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 457 13.761 -0.654 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.233 -2.113 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.163 -0.906 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 457 12.286 -0.280 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 457 10.071 0.631 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 457 10.012 -1.127 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 457 9.413 -0.012 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 457 11.700 2.028 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 457 11.106 1.439 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 457 12.831 1.291 -2.025 1.00 0.00 H new ATOM 650 N LYS A 458 14.282 -1.756 0.555 1.00 0.00 N ATOM 651 CA LYS A 458 14.439 -2.156 1.948 1.00 0.00 C ATOM 652 C LYS A 458 13.794 -1.137 2.882 1.00 0.00 C ATOM 653 O LYS A 458 14.382 -0.746 3.890 1.00 0.00 O ATOM 654 CB LYS A 458 15.922 -2.312 2.292 1.00 0.00 C ATOM 655 CG LYS A 458 16.192 -3.350 3.367 1.00 0.00 C ATOM 656 CD LYS A 458 17.612 -3.884 3.283 1.00 0.00 C ATOM 657 CE LYS A 458 18.036 -4.546 4.585 1.00 0.00 C ATOM 658 NZ LYS A 458 18.539 -3.553 5.574 1.00 0.00 N ATOM 0 H LYS A 458 15.083 -1.259 0.167 1.00 0.00 H new ATOM 0 HA LYS A 458 13.939 -3.115 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 458 16.469 -2.585 1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 458 16.313 -1.349 2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 458 16.026 -2.909 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 458 15.486 -4.174 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 458 17.684 -4.604 2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 458 18.296 -3.068 3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 458 17.190 -5.086 5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 458 18.814 -5.282 4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 18.818 -4.044 6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 19.362 -3.055 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 17.789 -2.865 5.788 1.00 0.00 H new ATOM 672 N ASP A 459 12.582 -0.713 2.541 1.00 0.00 N ATOM 673 CA ASP A 459 11.856 0.258 3.351 1.00 0.00 C ATOM 674 C ASP A 459 10.386 0.313 2.947 1.00 0.00 C ATOM 675 O ASP A 459 10.014 -0.134 1.862 1.00 0.00 O ATOM 676 CB ASP A 459 12.488 1.644 3.212 1.00 0.00 C ATOM 677 CG ASP A 459 11.981 2.392 1.995 1.00 0.00 C ATOM 678 OD1 ASP A 459 12.217 1.916 0.865 1.00 0.00 O ATOM 679 OD2 ASP A 459 11.348 3.453 2.173 1.00 0.00 O ATOM 0 H ASP A 459 12.082 -1.026 1.709 1.00 0.00 H new ATOM 0 HA ASP A 459 11.916 -0.058 4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.277 2.228 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 459 13.571 1.541 3.147 1.00 0.00 H new ATOM 684 N MET A 460 9.556 0.863 3.826 1.00 0.00 N ATOM 685 CA MET A 460 8.126 0.976 3.560 1.00 0.00 C ATOM 686 C MET A 460 7.817 2.252 2.783 1.00 0.00 C ATOM 687 O MET A 460 8.596 3.206 2.802 1.00 0.00 O ATOM 688 CB MET A 460 7.339 0.960 4.871 1.00 0.00 C ATOM 689 CG MET A 460 7.687 2.108 5.804 1.00 0.00 C ATOM 690 SD MET A 460 7.244 1.770 7.519 1.00 0.00 S ATOM 691 CE MET A 460 7.057 3.434 8.155 1.00 0.00 C ATOM 0 H MET A 460 9.848 1.238 4.729 1.00 0.00 H new ATOM 0 HA MET A 460 7.826 0.121 2.954 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.273 0.996 4.646 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.524 0.017 5.385 1.00 0.00 H new ATOM 0 HG2 MET A 460 8.756 2.309 5.742 1.00 0.00 H new ATOM 0 HG3 MET A 460 7.173 3.010 5.471 1.00 0.00 H new ATOM 0 HE1 MET A 460 6.731 3.392 9.194 1.00 0.00 H new ATOM 0 HE2 MET A 460 8.012 3.956 8.095 1.00 0.00 H new ATOM 0 HE3 MET A 460 6.314 3.968 7.563 1.00 0.00 H new ATOM 701 N LEU A 461 6.678 2.263 2.101 1.00 0.00 N ATOM 702 CA LEU A 461 6.266 3.422 1.317 1.00 0.00 C ATOM 703 C LEU A 461 4.887 3.910 1.751 1.00 0.00 C ATOM 704 O LEU A 461 4.280 3.353 2.665 1.00 0.00 O ATOM 705 CB LEU A 461 6.252 3.076 -0.172 1.00 0.00 C ATOM 706 CG LEU A 461 7.615 3.036 -0.865 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.347 1.747 -0.528 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.452 3.181 -2.371 1.00 0.00 C ATOM 0 H LEU A 461 6.022 1.482 2.075 1.00 0.00 H new ATOM 0 HA LEU A 461 6.986 4.222 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.776 2.103 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 461 5.626 3.804 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 461 8.211 3.874 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.315 1.736 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.497 1.685 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.755 0.895 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.432 3.150 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 461 6.838 2.364 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 461 6.969 4.132 -2.595 1.00 0.00 H new ATOM 720 N GLU A 462 4.398 4.953 1.086 1.00 0.00 N ATOM 721 CA GLU A 462 3.090 5.514 1.402 1.00 0.00 C ATOM 722 C GLU A 462 2.360 5.941 0.132 1.00 0.00 C ATOM 723 O GLU A 462 2.804 6.842 -0.580 1.00 0.00 O ATOM 724 CB GLU A 462 3.238 6.710 2.345 1.00 0.00 C ATOM 725 CG GLU A 462 3.888 6.361 3.673 1.00 0.00 C ATOM 726 CD GLU A 462 3.990 7.554 4.604 1.00 0.00 C ATOM 727 OE1 GLU A 462 3.080 8.409 4.574 1.00 0.00 O ATOM 728 OE2 GLU A 462 4.979 7.633 5.362 1.00 0.00 O ATOM 0 H GLU A 462 4.888 5.425 0.326 1.00 0.00 H new ATOM 0 HA GLU A 462 2.501 4.741 1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.831 7.480 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.253 7.138 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 462 3.312 5.574 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 462 4.885 5.961 3.491 1.00 0.00 H new ATOM 735 N PHE A 463 1.237 5.287 -0.146 1.00 0.00 N ATOM 736 CA PHE A 463 0.445 5.597 -1.330 1.00 0.00 C ATOM 737 C PHE A 463 -0.989 5.953 -0.948 1.00 0.00 C ATOM 738 O PHE A 463 -1.524 5.487 0.059 1.00 0.00 O ATOM 739 CB PHE A 463 0.447 4.410 -2.296 1.00 0.00 C ATOM 740 CG PHE A 463 1.751 3.666 -2.328 1.00 0.00 C ATOM 741 CD1 PHE A 463 2.803 4.117 -3.108 1.00 0.00 C ATOM 742 CD2 PHE A 463 1.925 2.514 -1.577 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.005 3.435 -3.139 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.124 1.828 -1.604 1.00 0.00 C ATOM 745 CZ PHE A 463 4.165 2.288 -2.387 1.00 0.00 C ATOM 0 H PHE A 463 0.855 4.539 0.433 1.00 0.00 H new ATOM 0 HA PHE A 463 0.896 6.459 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.349 3.721 -2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.217 4.768 -3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.683 5.013 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.114 2.149 -0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 463 4.818 3.799 -3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.247 0.932 -1.013 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.102 1.752 -2.411 1.00 0.00 H new ATOM 755 N PRO A 464 -1.627 6.799 -1.770 1.00 0.00 N ATOM 756 CA PRO A 464 -3.007 7.237 -1.539 1.00 0.00 C ATOM 757 C PRO A 464 -4.015 6.113 -1.754 1.00 0.00 C ATOM 758 O PRO A 464 -3.720 5.120 -2.418 1.00 0.00 O ATOM 759 CB PRO A 464 -3.207 8.341 -2.580 1.00 0.00 C ATOM 760 CG PRO A 464 -2.238 8.019 -3.665 1.00 0.00 C ATOM 761 CD PRO A 464 -1.051 7.393 -2.988 1.00 0.00 C ATOM 0 HA PRO A 464 -3.164 7.567 -0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.231 8.352 -2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -3.013 9.326 -2.155 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.678 7.336 -4.391 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.948 8.918 -4.209 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.580 6.639 -3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.287 8.133 -2.751 1.00 0.00 H new ATOM 769 N ALA A 465 -5.207 6.278 -1.189 1.00 0.00 N ATOM 770 CA ALA A 465 -6.260 5.278 -1.321 1.00 0.00 C ATOM 771 C ALA A 465 -6.696 5.130 -2.775 1.00 0.00 C ATOM 772 O ALA A 465 -7.467 4.231 -3.111 1.00 0.00 O ATOM 773 CB ALA A 465 -7.449 5.645 -0.446 1.00 0.00 C ATOM 0 H ALA A 465 -5.467 7.094 -0.636 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.861 4.319 -0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.227 4.890 -0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -7.133 5.693 0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.840 6.615 -0.752 1.00 0.00 H new ATOM 779 N GLN A 466 -6.198 6.016 -3.631 1.00 0.00 N ATOM 780 CA GLN A 466 -6.539 5.983 -5.048 1.00 0.00 C ATOM 781 C GLN A 466 -5.507 5.184 -5.838 1.00 0.00 C ATOM 782 O GLN A 466 -5.846 4.490 -6.795 1.00 0.00 O ATOM 783 CB GLN A 466 -6.635 7.405 -5.604 1.00 0.00 C ATOM 784 CG GLN A 466 -5.494 8.308 -5.166 1.00 0.00 C ATOM 785 CD GLN A 466 -5.211 9.416 -6.161 1.00 0.00 C ATOM 786 OE1 GLN A 466 -5.116 10.588 -5.793 1.00 0.00 O ATOM 787 NE2 GLN A 466 -5.075 9.052 -7.431 1.00 0.00 N ATOM 0 H GLN A 466 -5.557 6.765 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.507 5.494 -5.152 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -6.654 7.360 -6.693 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -7.579 7.847 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -5.735 8.747 -4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -4.594 7.709 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -5.161 8.070 -7.692 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -4.884 9.755 -8.145 1.00 0.00 H new ATOM 796 N GLU A 467 -4.246 5.289 -5.429 1.00 0.00 N ATOM 797 CA GLU A 467 -3.165 4.576 -6.100 1.00 0.00 C ATOM 798 C GLU A 467 -3.224 3.083 -5.792 1.00 0.00 C ATOM 799 O GLU A 467 -2.887 2.249 -6.634 1.00 0.00 O ATOM 800 CB GLU A 467 -1.809 5.143 -5.674 1.00 0.00 C ATOM 801 CG GLU A 467 -1.349 6.320 -6.517 1.00 0.00 C ATOM 802 CD GLU A 467 -2.490 7.242 -6.903 1.00 0.00 C ATOM 803 OE1 GLU A 467 -3.317 6.842 -7.748 1.00 0.00 O ATOM 804 OE2 GLU A 467 -2.554 8.365 -6.359 1.00 0.00 O ATOM 0 H GLU A 467 -3.948 5.860 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.286 4.712 -7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.867 5.455 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -1.061 4.353 -5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -0.600 6.887 -5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -0.866 5.948 -7.420 1.00 0.00 H new ATOM 811 N LEU A 468 -3.654 2.752 -4.579 1.00 0.00 N ATOM 812 CA LEU A 468 -3.757 1.359 -4.158 1.00 0.00 C ATOM 813 C LEU A 468 -5.149 0.805 -4.444 1.00 0.00 C ATOM 814 O LEU A 468 -6.147 1.516 -4.324 1.00 0.00 O ATOM 815 CB LEU A 468 -3.442 1.232 -2.666 1.00 0.00 C ATOM 816 CG LEU A 468 -1.978 1.429 -2.271 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.845 1.554 -0.761 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.125 0.281 -2.790 1.00 0.00 C ATOM 0 H LEU A 468 -3.937 3.429 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.031 0.779 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -4.045 1.961 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.758 0.244 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.621 2.353 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.796 1.694 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.423 2.411 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.220 0.647 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -0.086 0.439 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.482 -0.658 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.195 0.238 -3.877 1.00 0.00 H new ATOM 830 N ARG A 469 -5.208 -0.468 -4.820 1.00 0.00 N ATOM 831 CA ARG A 469 -6.478 -1.117 -5.122 1.00 0.00 C ATOM 832 C ARG A 469 -6.521 -2.526 -4.536 1.00 0.00 C ATOM 833 O ARG A 469 -5.497 -3.203 -4.444 1.00 0.00 O ATOM 834 CB ARG A 469 -6.699 -1.176 -6.635 1.00 0.00 C ATOM 835 CG ARG A 469 -7.553 -2.351 -7.081 1.00 0.00 C ATOM 836 CD ARG A 469 -8.237 -2.070 -8.410 1.00 0.00 C ATOM 837 NE ARG A 469 -9.296 -1.073 -8.280 1.00 0.00 N ATOM 838 CZ ARG A 469 -10.519 -1.352 -7.843 1.00 0.00 C ATOM 839 NH1 ARG A 469 -10.836 -2.592 -7.496 1.00 0.00 N ATOM 840 NH2 ARG A 469 -11.429 -0.390 -7.753 1.00 0.00 N ATOM 0 H ARG A 469 -4.391 -1.070 -4.923 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.275 -0.528 -4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -7.172 -0.250 -6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -5.731 -1.232 -7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -6.930 -3.241 -7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -8.305 -2.565 -6.321 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -7.498 -1.722 -9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -8.657 -2.995 -8.805 1.00 0.00 H new ATOM 0 HE ARG A 469 -9.085 -0.109 -8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -10.140 -3.334 -7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -11.776 -2.803 -7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -11.190 0.565 -8.020 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -12.368 -0.606 -7.417 1.00 0.00 H new