USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 325 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 459 HIS : no HD1:sc= 0.225 X(o=-4.6,f=-5.1) USER MOD Set 1.2: A 467 CYS SG : rot 160:sc= -4.32! USER MOD Set 1.3: A 469 CYS SG : rot 42:sc= -0.539 USER MOD Set 2.1: A 447 HIS : no HE2:sc=-0.00843 X(o=-3.5,f=-3.9) USER MOD Set 2.2: A 449 HIS : no HE2:sc= -3.63! C(o=-3.5!,f=-3.4!) USER MOD Set 2.3: A 455 CYS SG : rot 108:sc= 0.0931 USER MOD Set 2.4: A 485 HIS : no HE2:sc= 0.0876 X(o=-3.5,f=-3.9) USER MOD Single : A 446 THR OG1 : rot -21:sc= 0.36 USER MOD Single : A 462 ASN :FLIP amide:sc= -0.419 F(o=-3.1!,f=-0.42) USER MOD Single : A 463 SER OG : rot 180:sc= 0.00511 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 472 TYR OH : rot 180:sc= 0 USER MOD Single : A 474 ASN : amide:sc= -0.0379 K(o=-0.038,f=-1.9!) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00174) USER MOD Single : A 479 THR OG1 : rot -147:sc= 0.409 USER MOD ----------------------------------------------------------------- ATOM 21 N THR A 446 -0.383 -6.920 -4.605 1.00 0.00 N ATOM 22 CA THR A 446 0.677 -6.301 -3.829 1.00 0.00 C ATOM 23 C THR A 446 0.374 -4.826 -3.615 1.00 0.00 C ATOM 24 O THR A 446 0.233 -4.072 -4.579 1.00 0.00 O ATOM 25 CB THR A 446 2.032 -6.451 -4.538 1.00 0.00 C ATOM 26 OG1 THR A 446 1.877 -6.180 -5.937 1.00 0.00 O ATOM 27 CG2 THR A 446 2.590 -7.850 -4.348 1.00 0.00 C ATOM 0 HA THR A 446 0.730 -6.804 -2.864 1.00 0.00 H new ATOM 0 HB THR A 446 2.731 -5.738 -4.101 1.00 0.00 H new ATOM 0 HG1 THR A 446 0.938 -6.298 -6.191 1.00 0.00 H new ATOM 0 HG21 THR A 446 3.549 -7.932 -4.859 1.00 0.00 H new ATOM 0 HG22 THR A 446 2.727 -8.046 -3.285 1.00 0.00 H new ATOM 0 HG23 THR A 446 1.894 -8.579 -4.764 1.00 0.00 H new ATOM 35 N HIS A 447 0.262 -4.416 -2.363 1.00 0.00 N ATOM 36 CA HIS A 447 -0.128 -3.052 -2.063 1.00 0.00 C ATOM 37 C HIS A 447 1.103 -2.201 -1.766 1.00 0.00 C ATOM 38 O HIS A 447 2.075 -2.683 -1.176 1.00 0.00 O ATOM 39 CB HIS A 447 -1.144 -3.006 -0.907 1.00 0.00 C ATOM 40 CG HIS A 447 -0.657 -3.586 0.393 1.00 0.00 C ATOM 41 ND1 HIS A 447 -0.715 -4.930 0.714 1.00 0.00 N ATOM 42 CD2 HIS A 447 -0.102 -2.971 1.470 1.00 0.00 C ATOM 43 CE1 HIS A 447 -0.196 -5.082 1.948 1.00 0.00 C ATOM 44 NE2 HIS A 447 0.185 -3.924 2.441 1.00 0.00 N ATOM 0 H HIS A 447 0.434 -5.002 -1.546 1.00 0.00 H new ATOM 0 HA HIS A 447 -0.622 -2.633 -2.940 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.433 -1.969 -0.739 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -2.043 -3.542 -1.212 1.00 0.00 H new ATOM 0 HD1 HIS A 447 -1.085 -5.674 0.122 1.00 0.00 H new ATOM 0 HD2 HIS A 447 0.086 -1.911 1.558 1.00 0.00 H new ATOM 0 HE1 HIS A 447 -0.105 -6.027 2.463 1.00 0.00 H new ATOM 52 N ARG A 448 1.061 -0.943 -2.188 1.00 0.00 N ATOM 53 CA ARG A 448 2.203 -0.050 -2.055 1.00 0.00 C ATOM 54 C ARG A 448 2.395 0.401 -0.612 1.00 0.00 C ATOM 55 O ARG A 448 1.429 0.701 0.093 1.00 0.00 O ATOM 56 CB ARG A 448 2.042 1.177 -2.962 1.00 0.00 C ATOM 57 CG ARG A 448 2.152 0.863 -4.448 1.00 0.00 C ATOM 58 CD ARG A 448 2.275 2.125 -5.291 1.00 0.00 C ATOM 59 NE ARG A 448 2.416 1.825 -6.721 1.00 0.00 N ATOM 60 CZ ARG A 448 3.361 2.354 -7.517 1.00 0.00 C ATOM 61 NH1 ARG A 448 4.285 3.167 -7.026 1.00 0.00 N ATOM 62 NH2 ARG A 448 3.399 2.046 -8.807 1.00 0.00 N ATOM 0 H ARG A 448 0.244 -0.518 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 448 3.087 -0.609 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 448 1.072 1.635 -2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 448 2.801 1.914 -2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 448 3.020 0.226 -4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 448 1.275 0.299 -4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 448 1.395 2.750 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 448 3.137 2.701 -4.956 1.00 0.00 H new ATOM 0 HE ARG A 448 1.753 1.172 -7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 448 4.285 3.398 -6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 448 4.996 3.561 -7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 448 2.709 1.405 -9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 448 4.118 2.450 -9.407 1.00 0.00 H new ATOM 76 N HIS A 449 3.643 0.416 -0.182 1.00 0.00 N ATOM 77 CA HIS A 449 4.015 0.983 1.104 1.00 0.00 C ATOM 78 C HIS A 449 4.820 2.251 0.890 1.00 0.00 C ATOM 79 O HIS A 449 5.581 2.351 -0.073 1.00 0.00 O ATOM 80 CB HIS A 449 4.845 -0.008 1.924 1.00 0.00 C ATOM 81 CG HIS A 449 4.063 -0.810 2.916 1.00 0.00 C ATOM 82 ND1 HIS A 449 4.326 -0.818 4.271 1.00 0.00 N ATOM 83 CD2 HIS A 449 3.031 -1.665 2.729 1.00 0.00 C ATOM 84 CE1 HIS A 449 3.466 -1.668 4.850 1.00 0.00 C ATOM 85 NE2 HIS A 449 2.659 -2.202 3.955 1.00 0.00 N ATOM 0 H HIS A 449 4.427 0.037 -0.712 1.00 0.00 H new ATOM 0 HA HIS A 449 3.100 1.209 1.652 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.348 -0.692 1.241 1.00 0.00 H new ATOM 0 HB3 HIS A 449 5.622 0.542 2.454 1.00 0.00 H new ATOM 0 HD1 HIS A 449 5.046 -0.274 4.747 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.570 -1.893 1.779 1.00 0.00 H new ATOM 0 HE1 HIS A 449 3.438 -1.886 5.907 1.00 0.00 H new ATOM 93 N ILE A 450 4.686 3.185 1.815 1.00 0.00 N ATOM 94 CA ILE A 450 5.343 4.484 1.731 1.00 0.00 C ATOM 95 C ILE A 450 6.818 4.338 2.107 1.00 0.00 C ATOM 96 O ILE A 450 7.587 5.303 2.110 1.00 0.00 O ATOM 97 CB ILE A 450 4.655 5.495 2.683 1.00 0.00 C ATOM 98 CG1 ILE A 450 3.131 5.441 2.518 1.00 0.00 C ATOM 99 CG2 ILE A 450 5.154 6.909 2.436 1.00 0.00 C ATOM 100 CD1 ILE A 450 2.372 6.168 3.610 1.00 0.00 C ATOM 0 H ILE A 450 4.115 3.066 2.652 1.00 0.00 H new ATOM 0 HA ILE A 450 5.265 4.856 0.709 1.00 0.00 H new ATOM 0 HB ILE A 450 4.911 5.214 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 450 2.864 5.873 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.813 4.398 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 450 4.653 7.596 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 450 6.230 6.950 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 450 4.937 7.197 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.301 6.086 3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.609 5.722 4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 450 2.660 7.219 3.615 1.00 0.00 H new ATOM 112 N ARG A 451 7.192 3.095 2.382 1.00 0.00 N ATOM 113 CA ARG A 451 8.526 2.732 2.841 1.00 0.00 C ATOM 114 C ARG A 451 8.891 3.471 4.129 1.00 0.00 C ATOM 115 O ARG A 451 9.615 4.466 4.108 1.00 0.00 O ATOM 116 CB ARG A 451 9.572 2.988 1.752 1.00 0.00 C ATOM 117 CG ARG A 451 10.954 2.497 2.137 1.00 0.00 C ATOM 118 CD ARG A 451 11.978 2.735 1.038 1.00 0.00 C ATOM 119 NE ARG A 451 13.274 2.177 1.411 1.00 0.00 N ATOM 120 CZ ARG A 451 14.263 1.926 0.562 1.00 0.00 C ATOM 121 NH1 ARG A 451 14.137 2.219 -0.727 1.00 0.00 N ATOM 122 NH2 ARG A 451 15.386 1.382 1.012 1.00 0.00 N ATOM 0 H ARG A 451 6.565 2.296 2.290 1.00 0.00 H new ATOM 0 HA ARG A 451 8.519 1.664 3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 451 9.260 2.495 0.832 1.00 0.00 H new ATOM 0 HB3 ARG A 451 9.617 4.057 1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 451 11.277 3.003 3.047 1.00 0.00 H new ATOM 0 HG3 ARG A 451 10.909 1.432 2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 451 11.634 2.280 0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 451 12.077 3.804 0.852 1.00 0.00 H new ATOM 0 HE ARG A 451 13.431 1.964 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 451 13.275 2.641 -1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 451 14.902 2.022 -1.372 1.00 0.00 H new ATOM 0 HH21 ARG A 451 15.484 1.160 2.003 1.00 0.00 H new ATOM 0 HH22 ARG A 451 16.152 1.185 0.367 1.00 0.00 H new ATOM 136 N GLY A 452 8.367 2.990 5.250 1.00 0.00 N ATOM 137 CA GLY A 452 8.710 3.580 6.531 1.00 0.00 C ATOM 138 C GLY A 452 7.640 3.377 7.587 1.00 0.00 C ATOM 139 O GLY A 452 7.850 3.704 8.758 1.00 0.00 O ATOM 0 H GLY A 452 7.715 2.207 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 452 9.646 3.148 6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 452 8.882 4.648 6.398 1.00 0.00 H new ATOM 143 N GLU A 453 6.498 2.842 7.186 1.00 0.00 N ATOM 144 CA GLU A 453 5.392 2.627 8.105 1.00 0.00 C ATOM 145 C GLU A 453 5.228 1.139 8.404 1.00 0.00 C ATOM 146 O GLU A 453 5.992 0.304 7.909 1.00 0.00 O ATOM 147 CB GLU A 453 4.086 3.199 7.523 1.00 0.00 C ATOM 148 CG GLU A 453 3.415 2.320 6.463 1.00 0.00 C ATOM 149 CD GLU A 453 4.181 2.225 5.156 1.00 0.00 C ATOM 150 OE1 GLU A 453 5.302 1.668 5.143 1.00 0.00 O ATOM 151 OE2 GLU A 453 3.639 2.664 4.131 1.00 0.00 O ATOM 0 H GLU A 453 6.313 2.548 6.227 1.00 0.00 H new ATOM 0 HA GLU A 453 5.615 3.148 9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 453 3.382 3.361 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 453 4.297 4.175 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 453 3.285 1.317 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 453 2.419 2.713 6.259 1.00 0.00 H new ATOM 158 N ALA A 454 4.231 0.811 9.214 1.00 0.00 N ATOM 159 CA ALA A 454 3.901 -0.575 9.493 1.00 0.00 C ATOM 160 C ALA A 454 3.009 -1.120 8.386 1.00 0.00 C ATOM 161 O ALA A 454 3.258 -2.196 7.837 1.00 0.00 O ATOM 162 CB ALA A 454 3.219 -0.703 10.848 1.00 0.00 C ATOM 0 H ALA A 454 3.637 1.490 9.690 1.00 0.00 H new ATOM 0 HA ALA A 454 4.820 -1.159 9.526 1.00 0.00 H new ATOM 0 HB1 ALA A 454 2.980 -1.749 11.038 1.00 0.00 H new ATOM 0 HB2 ALA A 454 3.887 -0.336 11.628 1.00 0.00 H new ATOM 0 HB3 ALA A 454 2.301 -0.115 10.850 1.00 0.00 H new ATOM 168 N CYS A 455 1.973 -0.354 8.054 1.00 0.00 N ATOM 169 CA CYS A 455 1.079 -0.691 6.953 1.00 0.00 C ATOM 170 C CYS A 455 0.007 0.393 6.797 1.00 0.00 C ATOM 171 O CYS A 455 -0.766 0.636 7.716 1.00 0.00 O ATOM 172 CB CYS A 455 0.428 -2.057 7.194 1.00 0.00 C ATOM 173 SG CYS A 455 -0.433 -2.731 5.746 1.00 0.00 S ATOM 0 H CYS A 455 1.732 0.511 8.537 1.00 0.00 H new ATOM 0 HA CYS A 455 1.660 -0.744 6.032 1.00 0.00 H new ATOM 0 HB2 CYS A 455 1.196 -2.764 7.508 1.00 0.00 H new ATOM 0 HB3 CYS A 455 -0.281 -1.970 8.017 1.00 0.00 H new ATOM 0 HG CYS A 455 0.243 -3.732 5.266 1.00 0.00 H new ATOM 178 N PRO A 456 -0.049 1.047 5.623 1.00 0.00 N ATOM 179 CA PRO A 456 -0.988 2.154 5.359 1.00 0.00 C ATOM 180 C PRO A 456 -2.446 1.707 5.223 1.00 0.00 C ATOM 181 O PRO A 456 -3.342 2.533 5.034 1.00 0.00 O ATOM 182 CB PRO A 456 -0.477 2.738 4.038 1.00 0.00 C ATOM 183 CG PRO A 456 0.220 1.610 3.366 1.00 0.00 C ATOM 184 CD PRO A 456 0.823 0.782 4.465 1.00 0.00 C ATOM 0 HA PRO A 456 -1.007 2.863 6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -1.298 3.114 3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 456 0.200 3.574 4.211 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -0.477 1.020 2.771 1.00 0.00 H new ATOM 0 HG3 PRO A 456 0.989 1.976 2.686 1.00 0.00 H new ATOM 0 HD2 PRO A 456 0.835 -0.277 4.207 1.00 0.00 H new ATOM 0 HD3 PRO A 456 1.854 1.073 4.666 1.00 0.00 H new ATOM 192 N LEU A 457 -2.680 0.402 5.315 1.00 0.00 N ATOM 193 CA LEU A 457 -4.036 -0.136 5.280 1.00 0.00 C ATOM 194 C LEU A 457 -4.791 0.274 6.547 1.00 0.00 C ATOM 195 O LEU A 457 -4.171 0.600 7.557 1.00 0.00 O ATOM 196 CB LEU A 457 -4.001 -1.662 5.132 1.00 0.00 C ATOM 197 CG LEU A 457 -3.425 -2.168 3.802 1.00 0.00 C ATOM 198 CD1 LEU A 457 -3.451 -3.686 3.745 1.00 0.00 C ATOM 199 CD2 LEU A 457 -4.186 -1.578 2.622 1.00 0.00 C ATOM 0 H LEU A 457 -1.949 -0.302 5.414 1.00 0.00 H new ATOM 0 HA LEU A 457 -4.561 0.274 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -3.411 -2.078 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.015 -2.047 5.242 1.00 0.00 H new ATOM 0 HG LEU A 457 -2.387 -1.840 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -3.038 -4.022 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -2.855 -4.091 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -4.479 -4.036 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -3.760 -1.951 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -5.235 -1.869 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -4.109 -0.491 2.646 1.00 0.00 H new ATOM 211 N PRO A 458 -6.135 0.257 6.524 1.00 0.00 N ATOM 212 CA PRO A 458 -6.924 -0.250 5.399 1.00 0.00 C ATOM 213 C PRO A 458 -7.132 0.765 4.271 1.00 0.00 C ATOM 214 O PRO A 458 -8.026 0.596 3.437 1.00 0.00 O ATOM 215 CB PRO A 458 -8.253 -0.593 6.062 1.00 0.00 C ATOM 216 CG PRO A 458 -8.394 0.403 7.162 1.00 0.00 C ATOM 217 CD PRO A 458 -6.995 0.731 7.623 1.00 0.00 C ATOM 0 HA PRO A 458 -6.426 -1.083 4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -9.079 -0.521 5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -8.252 -1.612 6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -8.907 1.298 6.811 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -8.987 -0.004 7.981 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -6.872 1.801 7.793 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -6.756 0.230 8.561 1.00 0.00 H new ATOM 225 N HIS A 459 -6.314 1.810 4.229 1.00 0.00 N ATOM 226 CA HIS A 459 -6.372 2.752 3.121 1.00 0.00 C ATOM 227 C HIS A 459 -5.631 2.176 1.933 1.00 0.00 C ATOM 228 O HIS A 459 -4.522 1.671 2.067 1.00 0.00 O ATOM 229 CB HIS A 459 -5.784 4.110 3.498 1.00 0.00 C ATOM 230 CG HIS A 459 -6.498 4.772 4.627 1.00 0.00 C ATOM 231 ND1 HIS A 459 -7.590 5.587 4.419 1.00 0.00 N ATOM 232 CD2 HIS A 459 -6.248 4.691 5.957 1.00 0.00 C ATOM 233 CE1 HIS A 459 -7.971 5.973 5.627 1.00 0.00 C ATOM 234 NE2 HIS A 459 -7.189 5.458 6.587 1.00 0.00 N ATOM 0 H HIS A 459 -5.613 2.024 4.938 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.420 2.911 2.865 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -4.735 3.982 3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -5.812 4.764 2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -5.456 4.128 6.429 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -8.811 6.625 5.816 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -7.279 5.609 7.592 1.00 0.00 H new ATOM 242 N ARG A 460 -6.245 2.262 0.774 1.00 0.00 N ATOM 243 CA ARG A 460 -5.728 1.578 -0.399 1.00 0.00 C ATOM 244 C ARG A 460 -4.934 2.539 -1.269 1.00 0.00 C ATOM 245 O ARG A 460 -5.495 3.471 -1.845 1.00 0.00 O ATOM 246 CB ARG A 460 -6.880 0.959 -1.194 1.00 0.00 C ATOM 247 CG ARG A 460 -7.823 0.117 -0.339 1.00 0.00 C ATOM 248 CD ARG A 460 -8.920 -0.533 -1.173 1.00 0.00 C ATOM 249 NE ARG A 460 -9.996 -1.079 -0.338 1.00 0.00 N ATOM 250 CZ ARG A 460 -10.399 -2.352 -0.363 1.00 0.00 C ATOM 251 NH1 ARG A 460 -9.760 -3.240 -1.117 1.00 0.00 N ATOM 252 NH2 ARG A 460 -11.431 -2.740 0.383 1.00 0.00 N ATOM 0 H ARG A 460 -7.100 2.795 0.615 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.059 0.781 -0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.450 1.755 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -6.470 0.337 -1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -7.253 -0.656 0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -8.275 0.745 0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -9.334 0.202 -1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -8.490 -1.331 -1.778 1.00 0.00 H new ATOM 0 HE ARG A 460 -10.468 -0.443 0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -8.959 -2.950 -1.679 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -10.070 -4.212 -1.134 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -11.915 -2.065 0.975 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -11.738 -3.713 0.363 1.00 0.00 H new ATOM 266 N LEU A 461 -3.629 2.313 -1.338 1.00 0.00 N ATOM 267 CA LEU A 461 -2.741 3.148 -2.136 1.00 0.00 C ATOM 268 C LEU A 461 -2.700 2.668 -3.578 1.00 0.00 C ATOM 269 O LEU A 461 -2.288 1.541 -3.855 1.00 0.00 O ATOM 270 CB LEU A 461 -1.321 3.156 -1.558 1.00 0.00 C ATOM 271 CG LEU A 461 -1.042 4.225 -0.500 1.00 0.00 C ATOM 272 CD1 LEU A 461 -1.936 4.028 0.712 1.00 0.00 C ATOM 273 CD2 LEU A 461 0.428 4.210 -0.101 1.00 0.00 C ATOM 0 H LEU A 461 -3.159 1.552 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 461 -3.136 4.164 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -1.121 2.178 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -0.615 3.290 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 461 -1.268 5.201 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -1.721 4.799 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -2.981 4.097 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -1.749 3.046 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.608 4.977 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 461 0.684 3.232 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 461 1.045 4.410 -0.977 1.00 0.00 H new ATOM 285 N ASN A 462 -3.134 3.529 -4.485 1.00 0.00 N ATOM 286 CA ASN A 462 -3.082 3.240 -5.914 1.00 0.00 C ATOM 287 C ASN A 462 -1.687 3.522 -6.470 1.00 0.00 C ATOM 288 O ASN A 462 -0.671 3.896 -5.725 1.00 0.00 O ATOM 289 CB ASN A 462 -4.148 4.053 -6.682 1.00 0.00 C ATOM 290 CG ASN A 462 -4.156 5.544 -6.356 1.00 0.00 C ATOM 291 OD1 ASN A 462 -3.009 6.107 -6.008 1.00 0.00 O flip ATOM 292 ND2 ASN A 462 -5.200 6.191 -6.414 1.00 0.00 N flip ATOM 0 H ASN A 462 -3.529 4.441 -4.257 1.00 0.00 H new ATOM 0 HA ASN A 462 -3.300 2.181 -6.052 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -3.982 3.928 -7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -5.132 3.639 -6.461 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -6.070 5.732 -6.685 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -5.196 7.186 -6.191 1.00 0.00 H new ATOM 299 N SER A 463 -1.536 3.363 -7.781 1.00 0.00 N ATOM 300 CA SER A 463 -0.255 3.533 -8.462 1.00 0.00 C ATOM 301 C SER A 463 0.405 4.883 -8.162 1.00 0.00 C ATOM 302 O SER A 463 1.628 4.990 -8.142 1.00 0.00 O ATOM 303 CB SER A 463 -0.463 3.370 -9.969 1.00 0.00 C ATOM 304 OG SER A 463 -1.603 4.099 -10.403 1.00 0.00 O ATOM 0 H SER A 463 -2.302 3.111 -8.405 1.00 0.00 H new ATOM 0 HA SER A 463 0.423 2.767 -8.086 1.00 0.00 H new ATOM 0 HB2 SER A 463 0.422 3.718 -10.502 1.00 0.00 H new ATOM 0 HB3 SER A 463 -0.587 2.315 -10.212 1.00 0.00 H new ATOM 0 HG SER A 463 -1.717 3.983 -11.369 1.00 0.00 H new ATOM 310 N LEU A 464 -0.400 5.906 -7.909 1.00 0.00 N ATOM 311 CA LEU A 464 0.134 7.242 -7.671 1.00 0.00 C ATOM 312 C LEU A 464 0.487 7.468 -6.197 1.00 0.00 C ATOM 313 O LEU A 464 0.832 8.582 -5.803 1.00 0.00 O ATOM 314 CB LEU A 464 -0.867 8.292 -8.155 1.00 0.00 C ATOM 315 CG LEU A 464 -1.177 8.230 -9.656 1.00 0.00 C ATOM 316 CD1 LEU A 464 -2.149 9.325 -10.053 1.00 0.00 C ATOM 317 CD2 LEU A 464 0.101 8.337 -10.472 1.00 0.00 C ATOM 0 H LEU A 464 -1.417 5.839 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 464 1.061 7.338 -8.236 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.797 8.172 -7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -0.479 9.282 -7.917 1.00 0.00 H new ATOM 0 HG LEU A 464 -1.642 7.267 -9.864 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -2.353 9.260 -11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -3.079 9.205 -9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -1.714 10.298 -9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -0.140 8.291 -11.534 1.00 0.00 H new ATOM 0 HD22 LEU A 464 0.594 9.284 -10.253 1.00 0.00 H new ATOM 0 HD23 LEU A 464 0.767 7.513 -10.215 1.00 0.00 H new ATOM 329 N GLY A 465 0.410 6.412 -5.391 1.00 0.00 N ATOM 330 CA GLY A 465 0.813 6.503 -4.000 1.00 0.00 C ATOM 331 C GLY A 465 -0.128 7.340 -3.158 1.00 0.00 C ATOM 332 O GLY A 465 0.303 8.280 -2.496 1.00 0.00 O ATOM 0 H GLY A 465 0.074 5.493 -5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 465 0.871 5.499 -3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 465 1.815 6.929 -3.946 1.00 0.00 H new ATOM 336 N GLY A 466 -1.408 6.992 -3.189 1.00 0.00 N ATOM 337 CA GLY A 466 -2.403 7.682 -2.390 1.00 0.00 C ATOM 338 C GLY A 466 -3.658 6.847 -2.273 1.00 0.00 C ATOM 339 O GLY A 466 -3.797 5.850 -2.982 1.00 0.00 O ATOM 0 H GLY A 466 -1.779 6.234 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -2.002 7.888 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -2.640 8.644 -2.844 1.00 0.00 H new ATOM 343 N CYS A 467 -4.576 7.225 -1.397 1.00 0.00 N ATOM 344 CA CYS A 467 -5.671 6.428 -1.216 1.00 0.00 C ATOM 345 C CYS A 467 -7.025 7.198 -1.637 1.00 0.00 C ATOM 346 O CYS A 467 -7.389 8.193 -1.011 1.00 0.00 O ATOM 347 CB CYS A 467 -5.904 5.908 0.230 1.00 0.00 C ATOM 348 SG CYS A 467 -6.209 7.168 1.515 1.00 0.00 S ATOM 0 H CYS A 467 -4.543 8.073 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.449 5.570 -1.851 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.754 5.226 0.214 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -5.033 5.324 0.526 1.00 0.00 H new ATOM 0 HG CYS A 467 -6.790 6.613 2.537 1.00 0.00 H new ATOM 353 N ARG A 468 -7.674 6.708 -2.698 1.00 0.00 N ATOM 354 CA ARG A 468 -8.890 7.322 -3.252 1.00 0.00 C ATOM 355 C ARG A 468 -9.904 7.654 -2.158 1.00 0.00 C ATOM 356 O ARG A 468 -10.565 8.689 -2.200 1.00 0.00 O ATOM 357 CB ARG A 468 -9.532 6.364 -4.261 1.00 0.00 C ATOM 358 CG ARG A 468 -10.830 6.881 -4.874 1.00 0.00 C ATOM 359 CD ARG A 468 -10.573 7.900 -5.971 1.00 0.00 C ATOM 360 NE ARG A 468 -10.096 7.267 -7.199 1.00 0.00 N ATOM 361 CZ ARG A 468 -10.035 7.875 -8.383 1.00 0.00 C ATOM 362 NH1 ARG A 468 -10.408 9.146 -8.513 1.00 0.00 N ATOM 363 NH2 ARG A 468 -9.609 7.200 -9.440 1.00 0.00 N ATOM 0 H ARG A 468 -7.372 5.873 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 468 -8.602 8.252 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -8.819 6.165 -5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -9.730 5.413 -3.767 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -11.397 6.044 -5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -11.444 7.333 -4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -11.491 8.450 -6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -9.837 8.627 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 468 -9.790 6.296 -7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -10.745 9.664 -7.702 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -10.357 9.602 -9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -9.331 6.223 -9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -9.559 7.657 -10.351 1.00 0.00 H new ATOM 377 N CYS A 469 -10.004 6.764 -1.174 1.00 0.00 N ATOM 378 CA CYS A 469 -10.954 6.921 -0.074 1.00 0.00 C ATOM 379 C CYS A 469 -10.747 8.197 0.733 1.00 0.00 C ATOM 380 O CYS A 469 -11.665 8.660 1.398 1.00 0.00 O ATOM 381 CB CYS A 469 -10.869 5.734 0.879 1.00 0.00 C ATOM 382 SG CYS A 469 -9.187 5.091 1.164 1.00 0.00 S ATOM 0 H CYS A 469 -9.434 5.920 -1.116 1.00 0.00 H new ATOM 0 HA CYS A 469 -11.936 6.978 -0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -11.297 6.026 1.838 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -11.488 4.927 0.486 1.00 0.00 H new ATOM 0 HG CYS A 469 -8.361 6.085 1.304 1.00 0.00 H new ATOM 387 N GLY A 470 -9.547 8.755 0.688 1.00 0.00 N ATOM 388 CA GLY A 470 -9.225 9.848 1.567 1.00 0.00 C ATOM 389 C GLY A 470 -8.202 9.429 2.593 1.00 0.00 C ATOM 390 O GLY A 470 -8.331 8.363 3.194 1.00 0.00 O ATOM 0 H GLY A 470 -8.796 8.469 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -8.841 10.686 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -10.128 10.195 2.069 1.00 0.00 H new ATOM 394 N LYS A 471 -7.124 10.184 2.630 1.00 0.00 N ATOM 395 CA LYS A 471 -6.084 10.149 3.681 1.00 0.00 C ATOM 396 C LYS A 471 -4.743 10.518 3.066 1.00 0.00 C ATOM 397 O LYS A 471 -4.253 11.633 3.230 1.00 0.00 O ATOM 398 CB LYS A 471 -5.943 8.784 4.389 1.00 0.00 C ATOM 399 CG LYS A 471 -4.943 8.795 5.542 1.00 0.00 C ATOM 400 CD LYS A 471 -5.349 9.790 6.625 1.00 0.00 C ATOM 401 CE LYS A 471 -4.425 9.738 7.838 1.00 0.00 C ATOM 402 NZ LYS A 471 -3.033 10.173 7.529 1.00 0.00 N ATOM 0 H LYS A 471 -6.924 10.874 1.906 1.00 0.00 H new ATOM 0 HA LYS A 471 -6.397 10.865 4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -6.918 8.478 4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -5.635 8.035 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -4.872 7.796 5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -3.953 9.051 5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -5.343 10.798 6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -6.371 9.582 6.941 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -4.832 10.373 8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -4.404 8.720 8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -2.452 10.117 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -2.630 9.553 6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -3.044 11.154 7.183 1.00 0.00 H new ATOM 416 N TYR A 472 -4.169 9.573 2.338 1.00 0.00 N ATOM 417 CA TYR A 472 -2.878 9.772 1.703 1.00 0.00 C ATOM 418 C TYR A 472 -3.066 10.413 0.334 1.00 0.00 C ATOM 419 O TYR A 472 -3.798 9.879 -0.501 1.00 0.00 O ATOM 420 CB TYR A 472 -2.147 8.435 1.554 1.00 0.00 C ATOM 421 CG TYR A 472 -2.037 7.664 2.849 1.00 0.00 C ATOM 422 CD1 TYR A 472 -1.222 8.112 3.877 1.00 0.00 C ATOM 423 CD2 TYR A 472 -2.758 6.493 3.046 1.00 0.00 C ATOM 424 CE1 TYR A 472 -1.126 7.415 5.065 1.00 0.00 C ATOM 425 CE2 TYR A 472 -2.668 5.791 4.232 1.00 0.00 C ATOM 426 CZ TYR A 472 -1.851 6.255 5.238 1.00 0.00 C ATOM 427 OH TYR A 472 -1.758 5.559 6.422 1.00 0.00 O ATOM 0 H TYR A 472 -4.581 8.655 2.172 1.00 0.00 H new ATOM 0 HA TYR A 472 -2.279 10.433 2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -2.670 7.823 0.819 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -1.146 8.618 1.163 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.653 9.021 3.747 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -3.400 6.126 2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 472 -0.486 7.777 5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -3.236 4.883 4.369 1.00 0.00 H new ATOM 0 HH TYR A 472 -2.333 4.766 6.381 1.00 0.00 H new ATOM 437 N PRO A 473 -2.428 11.569 0.099 1.00 0.00 N ATOM 438 CA PRO A 473 -2.501 12.268 -1.186 1.00 0.00 C ATOM 439 C PRO A 473 -1.595 11.631 -2.233 1.00 0.00 C ATOM 440 O PRO A 473 -0.835 10.713 -1.930 1.00 0.00 O ATOM 441 CB PRO A 473 -2.008 13.672 -0.839 1.00 0.00 C ATOM 442 CG PRO A 473 -1.048 13.454 0.281 1.00 0.00 C ATOM 443 CD PRO A 473 -1.584 12.292 1.071 1.00 0.00 C ATOM 0 HA PRO A 473 -3.501 12.244 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -1.524 14.147 -1.692 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -2.831 14.320 -0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 473 -0.049 13.239 -0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -0.968 14.345 0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -0.780 11.661 1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -2.162 12.626 1.933 1.00 0.00 H new ATOM 451 N ASN A 474 -1.666 12.129 -3.456 1.00 0.00 N ATOM 452 CA ASN A 474 -0.857 11.601 -4.546 1.00 0.00 C ATOM 453 C ASN A 474 0.587 12.054 -4.403 1.00 0.00 C ATOM 454 O ASN A 474 0.986 13.078 -4.960 1.00 0.00 O ATOM 455 CB ASN A 474 -1.411 12.052 -5.903 1.00 0.00 C ATOM 456 CG ASN A 474 -2.758 11.429 -6.242 1.00 0.00 C ATOM 457 OD1 ASN A 474 -3.542 11.075 -5.361 1.00 0.00 O ATOM 458 ND2 ASN A 474 -3.033 11.302 -7.532 1.00 0.00 N ATOM 0 H ASN A 474 -2.277 12.901 -3.721 1.00 0.00 H new ATOM 0 HA ASN A 474 -0.895 10.513 -4.498 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -1.510 13.137 -5.904 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -0.694 11.797 -6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -3.922 10.898 -7.827 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -2.356 11.608 -8.230 1.00 0.00 H new ATOM 465 N LEU A 475 1.360 11.304 -3.626 1.00 0.00 N ATOM 466 CA LEU A 475 2.761 11.632 -3.398 1.00 0.00 C ATOM 467 C LEU A 475 3.618 11.217 -4.588 1.00 0.00 C ATOM 468 O LEU A 475 4.535 11.939 -4.981 1.00 0.00 O ATOM 469 CB LEU A 475 3.275 10.948 -2.129 1.00 0.00 C ATOM 470 CG LEU A 475 2.607 11.400 -0.828 1.00 0.00 C ATOM 471 CD1 LEU A 475 3.161 10.626 0.361 1.00 0.00 C ATOM 472 CD2 LEU A 475 2.795 12.899 -0.626 1.00 0.00 C ATOM 0 H LEU A 475 1.039 10.464 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 475 2.834 12.713 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 475 3.137 9.872 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 475 4.347 11.126 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 475 1.540 11.192 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 475 2.672 10.964 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 475 2.974 9.561 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 475 4.234 10.798 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 475 2.314 13.204 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 475 3.859 13.129 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 475 2.346 13.438 -1.461 1.00 0.00 H new ATOM 484 N LYS A 476 3.305 10.048 -5.149 1.00 0.00 N ATOM 485 CA LYS A 476 4.056 9.476 -6.269 1.00 0.00 C ATOM 486 C LYS A 476 5.507 9.198 -5.881 1.00 0.00 C ATOM 487 O LYS A 476 6.392 9.124 -6.736 1.00 0.00 O ATOM 488 CB LYS A 476 3.996 10.395 -7.495 1.00 0.00 C ATOM 489 CG LYS A 476 2.581 10.688 -7.966 1.00 0.00 C ATOM 490 CD LYS A 476 2.570 11.422 -9.300 1.00 0.00 C ATOM 491 CE LYS A 476 3.073 10.531 -10.429 1.00 0.00 C ATOM 492 NZ LYS A 476 2.902 11.171 -11.761 1.00 0.00 N ATOM 0 H LYS A 476 2.523 9.470 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 476 3.588 8.526 -6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 476 4.494 11.336 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 476 4.554 9.936 -8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 476 2.029 9.753 -8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 476 2.065 11.288 -7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 476 1.558 11.758 -9.524 1.00 0.00 H new ATOM 0 HD3 LYS A 476 3.194 12.313 -9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 476 4.127 10.303 -10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 476 2.535 9.583 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 3.256 10.532 -12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 1.894 11.366 -11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 3.436 12.063 -11.789 1.00 0.00 H new ATOM 506 N LYS A 477 5.736 9.014 -4.588 1.00 0.00 N ATOM 507 CA LYS A 477 7.066 8.723 -4.076 1.00 0.00 C ATOM 508 C LYS A 477 7.389 7.237 -4.240 1.00 0.00 C ATOM 509 O LYS A 477 6.486 6.436 -4.507 1.00 0.00 O ATOM 510 CB LYS A 477 7.160 9.115 -2.602 1.00 0.00 C ATOM 511 CG LYS A 477 6.304 8.258 -1.710 1.00 0.00 C ATOM 512 CD LYS A 477 6.978 8.011 -0.370 1.00 0.00 C ATOM 513 CE LYS A 477 7.429 9.308 0.277 1.00 0.00 C ATOM 514 NZ LYS A 477 8.203 9.074 1.528 1.00 0.00 N ATOM 0 H LYS A 477 5.012 9.062 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 477 7.790 9.304 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 477 8.198 9.043 -2.278 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.862 10.158 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 477 5.341 8.743 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.104 7.305 -2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 477 6.287 7.493 0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 477 7.838 7.356 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 477 8.042 9.869 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 477 6.557 9.923 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 8.060 9.872 2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 7.876 8.196 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 9.214 8.990 1.300 1.00 0.00 H new ATOM 528 N PRO A 478 8.675 6.846 -4.089 1.00 0.00 N ATOM 529 CA PRO A 478 9.086 5.442 -4.167 1.00 0.00 C ATOM 530 C PRO A 478 8.311 4.563 -3.189 1.00 0.00 C ATOM 531 O PRO A 478 8.583 4.543 -1.989 1.00 0.00 O ATOM 532 CB PRO A 478 10.582 5.461 -3.809 1.00 0.00 C ATOM 533 CG PRO A 478 10.825 6.801 -3.208 1.00 0.00 C ATOM 534 CD PRO A 478 9.834 7.727 -3.852 1.00 0.00 C ATOM 0 HA PRO A 478 8.890 5.022 -5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 478 10.829 4.664 -3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 478 11.200 5.309 -4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 478 10.689 6.775 -2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 478 11.847 7.133 -3.393 1.00 0.00 H new ATOM 0 HD2 PRO A 478 9.580 8.564 -3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 478 10.218 8.149 -4.780 1.00 0.00 H new ATOM 542 N THR A 479 7.332 3.864 -3.721 1.00 0.00 N ATOM 543 CA THR A 479 6.496 2.971 -2.950 1.00 0.00 C ATOM 544 C THR A 479 6.933 1.534 -3.192 1.00 0.00 C ATOM 545 O THR A 479 7.260 1.163 -4.321 1.00 0.00 O ATOM 546 CB THR A 479 5.023 3.159 -3.352 1.00 0.00 C ATOM 547 OG1 THR A 479 4.959 3.919 -4.569 1.00 0.00 O ATOM 548 CG2 THR A 479 4.244 3.889 -2.268 1.00 0.00 C ATOM 0 H THR A 479 7.092 3.900 -4.712 1.00 0.00 H new ATOM 0 HA THR A 479 6.598 3.199 -1.889 1.00 0.00 H new ATOM 0 HB THR A 479 4.578 2.174 -3.492 1.00 0.00 H new ATOM 0 HG1 THR A 479 4.152 4.475 -4.566 1.00 0.00 H new ATOM 0 HG21 THR A 479 3.207 4.006 -2.582 1.00 0.00 H new ATOM 0 HG22 THR A 479 4.280 3.313 -1.343 1.00 0.00 H new ATOM 0 HG23 THR A 479 4.686 4.871 -2.101 1.00 0.00 H new ATOM 556 N VAL A 480 6.955 0.736 -2.140 1.00 0.00 N ATOM 557 CA VAL A 480 7.483 -0.622 -2.238 1.00 0.00 C ATOM 558 C VAL A 480 6.366 -1.654 -2.287 1.00 0.00 C ATOM 559 O VAL A 480 5.267 -1.422 -1.781 1.00 0.00 O ATOM 560 CB VAL A 480 8.459 -0.956 -1.086 1.00 0.00 C ATOM 561 CG1 VAL A 480 9.675 -0.049 -1.143 1.00 0.00 C ATOM 562 CG2 VAL A 480 7.776 -0.848 0.266 1.00 0.00 C ATOM 0 H VAL A 480 6.618 0.997 -1.213 1.00 0.00 H new ATOM 0 HA VAL A 480 8.040 -0.665 -3.174 1.00 0.00 H new ATOM 0 HB VAL A 480 8.786 -1.988 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 480 10.352 -0.297 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.188 -0.188 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.359 0.990 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 480 8.489 -1.089 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 480 7.408 0.168 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.940 -1.546 0.308 1.00 0.00 H new ATOM 572 N TRP A 481 6.662 -2.788 -2.903 1.00 0.00 N ATOM 573 CA TRP A 481 5.679 -3.841 -3.097 1.00 0.00 C ATOM 574 C TRP A 481 5.716 -4.852 -1.966 1.00 0.00 C ATOM 575 O TRP A 481 6.627 -5.675 -1.884 1.00 0.00 O ATOM 576 CB TRP A 481 5.917 -4.540 -4.436 1.00 0.00 C ATOM 577 CG TRP A 481 5.787 -3.602 -5.589 1.00 0.00 C ATOM 578 CD1 TRP A 481 6.755 -3.238 -6.479 1.00 0.00 C ATOM 579 CD2 TRP A 481 4.612 -2.878 -5.952 1.00 0.00 C ATOM 580 NE1 TRP A 481 6.246 -2.336 -7.382 1.00 0.00 N ATOM 581 CE2 TRP A 481 4.932 -2.098 -7.077 1.00 0.00 C ATOM 582 CE3 TRP A 481 3.320 -2.819 -5.431 1.00 0.00 C ATOM 583 CZ2 TRP A 481 4.002 -1.267 -7.690 1.00 0.00 C ATOM 584 CZ3 TRP A 481 2.397 -1.995 -6.037 1.00 0.00 C ATOM 585 CH2 TRP A 481 2.741 -1.229 -7.157 1.00 0.00 C ATOM 0 H TRP A 481 7.585 -3.003 -3.280 1.00 0.00 H new ATOM 0 HA TRP A 481 4.691 -3.381 -3.101 1.00 0.00 H new ATOM 0 HB2 TRP A 481 6.912 -4.984 -4.441 1.00 0.00 H new ATOM 0 HB3 TRP A 481 5.203 -5.356 -4.551 1.00 0.00 H new ATOM 0 HD1 TRP A 481 7.771 -3.605 -6.474 1.00 0.00 H new ATOM 0 HE1 TRP A 481 6.762 -1.913 -8.153 1.00 0.00 H new ATOM 0 HE3 TRP A 481 3.048 -3.409 -4.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 4.264 -0.674 -8.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 1.393 -1.939 -5.642 1.00 0.00 H new ATOM 0 HH2 TRP A 481 1.995 -0.594 -7.611 1.00 0.00 H new ATOM 596 N ARG A 482 4.731 -4.771 -1.086 1.00 0.00 N ATOM 597 CA ARG A 482 4.598 -5.729 0.000 1.00 0.00 C ATOM 598 C ARG A 482 3.196 -6.312 0.010 1.00 0.00 C ATOM 599 O ARG A 482 2.211 -5.574 0.028 1.00 0.00 O ATOM 600 CB ARG A 482 4.896 -5.069 1.353 1.00 0.00 C ATOM 601 CG ARG A 482 6.284 -4.450 1.441 1.00 0.00 C ATOM 602 CD ARG A 482 7.370 -5.515 1.388 1.00 0.00 C ATOM 603 NE ARG A 482 8.715 -4.934 1.385 1.00 0.00 N ATOM 604 CZ ARG A 482 9.732 -5.408 2.102 1.00 0.00 C ATOM 605 NH1 ARG A 482 9.555 -6.459 2.890 1.00 0.00 N ATOM 606 NH2 ARG A 482 10.928 -4.841 2.022 1.00 0.00 N ATOM 0 H ARG A 482 4.010 -4.050 -1.103 1.00 0.00 H new ATOM 0 HA ARG A 482 5.321 -6.529 -0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 482 4.151 -4.296 1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 482 4.790 -5.814 2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 482 6.423 -3.745 0.621 1.00 0.00 H new ATOM 0 HG3 ARG A 482 6.373 -3.883 2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 482 7.266 -6.181 2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 482 7.237 -6.123 0.493 1.00 0.00 H new ATOM 0 HE ARG A 482 8.883 -4.117 0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 482 8.639 -6.905 2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 482 10.334 -6.822 3.439 1.00 0.00 H new ATOM 0 HH21 ARG A 482 11.072 -4.038 1.409 1.00 0.00 H new ATOM 0 HH22 ARG A 482 11.704 -5.208 2.573 1.00 0.00 H new ATOM 620 N ARG A 483 3.106 -7.633 -0.034 1.00 0.00 N ATOM 621 CA ARG A 483 1.816 -8.306 0.063 1.00 0.00 C ATOM 622 C ARG A 483 1.688 -9.043 1.394 1.00 0.00 C ATOM 623 O ARG A 483 0.682 -8.912 2.088 1.00 0.00 O ATOM 624 CB ARG A 483 1.602 -9.291 -1.095 1.00 0.00 C ATOM 625 CG ARG A 483 2.691 -10.345 -1.226 1.00 0.00 C ATOM 626 CD ARG A 483 2.192 -11.582 -1.949 1.00 0.00 C ATOM 627 NE ARG A 483 1.746 -11.294 -3.310 1.00 0.00 N ATOM 628 CZ ARG A 483 2.262 -11.876 -4.390 1.00 0.00 C ATOM 629 NH1 ARG A 483 3.252 -12.750 -4.263 1.00 0.00 N ATOM 630 NH2 ARG A 483 1.788 -11.593 -5.591 1.00 0.00 N ATOM 0 H ARG A 483 3.905 -8.259 -0.136 1.00 0.00 H new ATOM 0 HA ARG A 483 1.047 -7.536 0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 483 0.643 -9.791 -0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 483 1.541 -8.730 -2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 483 3.540 -9.926 -1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 483 3.049 -10.623 -0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 483 2.988 -12.326 -1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 483 1.368 -12.021 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 483 1.000 -10.611 -3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 483 3.617 -12.976 -3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 483 3.648 -13.196 -5.090 1.00 0.00 H new ATOM 0 HH21 ARG A 483 1.023 -10.926 -5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 483 2.187 -12.042 -6.416 1.00 0.00 H new ATOM 644 N GLY A 484 2.724 -9.788 1.754 1.00 0.00 N ATOM 645 CA GLY A 484 2.655 -10.629 2.926 1.00 0.00 C ATOM 646 C GLY A 484 3.135 -9.932 4.177 1.00 0.00 C ATOM 647 O GLY A 484 4.115 -9.184 4.148 1.00 0.00 O ATOM 0 H GLY A 484 3.611 -9.823 1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 484 1.626 -10.958 3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 484 3.255 -11.524 2.761 1.00 0.00 H new ATOM 651 N HIS A 485 2.425 -10.162 5.266 1.00 0.00 N ATOM 652 CA HIS A 485 2.817 -9.662 6.573 1.00 0.00 C ATOM 653 C HIS A 485 2.728 -10.791 7.584 1.00 0.00 C ATOM 654 O HIS A 485 3.770 -11.403 7.883 1.00 0.00 O ATOM 655 CB HIS A 485 1.935 -8.486 7.014 1.00 0.00 C ATOM 656 CG HIS A 485 2.146 -7.239 6.210 1.00 0.00 C ATOM 657 ND1 HIS A 485 3.385 -6.721 5.918 1.00 0.00 N ATOM 658 CD2 HIS A 485 1.247 -6.406 5.621 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.206 -5.620 5.179 1.00 0.00 C ATOM 660 NE2 HIS A 485 1.931 -5.384 4.974 1.00 0.00 N ATOM 661 OXT HIS A 485 1.604 -11.108 8.022 1.00 0.00 O ATOM 0 H HIS A 485 1.559 -10.701 5.270 1.00 0.00 H new ATOM 0 HA HIS A 485 3.842 -9.297 6.512 1.00 0.00 H new ATOM 0 HB2 HIS A 485 0.888 -8.781 6.942 1.00 0.00 H new ATOM 0 HB3 HIS A 485 2.133 -8.269 8.064 1.00 0.00 H new ATOM 0 HD1 HIS A 485 4.282 -7.107 6.212 1.00 0.00 H new ATOM 0 HD2 HIS A 485 0.173 -6.520 5.651 1.00 0.00 H new ATOM 0 HE1 HIS A 485 4.008 -5.004 4.800 1.00 0.00 H new