USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=11 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 471 LYS NZ :NH3+ 137:sc= 1.27 (180deg=-0.208) USER MOD Set 1.2: A 472 TYR OH : rot 47:sc= 0.825 USER MOD Set 2.1: A 459 HIS : no HE2:sc= -0.156 X(o=-1.4,f=-1.6) USER MOD Set 2.2: A 467 CYS SG : rot 30:sc= -1.42 USER MOD Set 2.3: A 469 CYS SG : rot 32:sc= 0.192 USER MOD Set 3.1: A 462 ASN : amide:sc= -0.936 X(o=-0.43,f=-0.67) USER MOD Set 3.2: A 463 SER OG : rot -125:sc= 0.508 USER MOD Set 4.1: A 447 HIS : no HE2:sc=-0.00889 X(o=-0.17,f=-0.28) USER MOD Set 4.2: A 449 HIS : no HD1:sc= -0.438 X(o=-0.17,f=-0.57) USER MOD Set 4.3: A 455 CYS SG : rot 110:sc= 0.167 USER MOD Set 4.4: A 485 HIS : no HE2:sc= 0.113 X(o=-0.17,f=-0.56) USER MOD Single : A 446 THR OG1 : rot -25:sc= 0.488 USER MOD Single : A 474 ASN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot -67:sc= 0.871 USER MOD ----------------------------------------------------------------- ATOM 21 N THR A 446 -1.617 -6.794 -4.736 1.00 0.00 N ATOM 22 CA THR A 446 -0.581 -6.337 -3.827 1.00 0.00 C ATOM 23 C THR A 446 -0.870 -4.919 -3.336 1.00 0.00 C ATOM 24 O THR A 446 -1.726 -4.220 -3.887 1.00 0.00 O ATOM 25 CB THR A 446 0.791 -6.374 -4.517 1.00 0.00 C ATOM 26 OG1 THR A 446 0.657 -5.962 -5.884 1.00 0.00 O ATOM 27 CG2 THR A 446 1.394 -7.771 -4.465 1.00 0.00 C ATOM 0 HA THR A 446 -0.570 -7.008 -2.968 1.00 0.00 H new ATOM 0 HB THR A 446 1.456 -5.691 -3.988 1.00 0.00 H new ATOM 0 HG1 THR A 446 -0.257 -6.137 -6.190 1.00 0.00 H new ATOM 0 HG21 THR A 446 2.365 -7.767 -4.961 1.00 0.00 H new ATOM 0 HG22 THR A 446 1.519 -8.075 -3.426 1.00 0.00 H new ATOM 0 HG23 THR A 446 0.731 -8.473 -4.971 1.00 0.00 H new ATOM 35 N HIS A 447 -0.176 -4.504 -2.288 1.00 0.00 N ATOM 36 CA HIS A 447 -0.365 -3.172 -1.744 1.00 0.00 C ATOM 37 C HIS A 447 0.986 -2.500 -1.517 1.00 0.00 C ATOM 38 O HIS A 447 1.977 -3.160 -1.186 1.00 0.00 O ATOM 39 CB HIS A 447 -1.190 -3.230 -0.448 1.00 0.00 C ATOM 40 CG HIS A 447 -0.506 -3.902 0.701 1.00 0.00 C ATOM 41 ND1 HIS A 447 -0.634 -5.241 1.008 1.00 0.00 N ATOM 42 CD2 HIS A 447 0.325 -3.383 1.638 1.00 0.00 C ATOM 43 CE1 HIS A 447 0.109 -5.482 2.102 1.00 0.00 C ATOM 44 NE2 HIS A 447 0.708 -4.384 2.517 1.00 0.00 N ATOM 0 H HIS A 447 0.520 -5.068 -1.800 1.00 0.00 H new ATOM 0 HA HIS A 447 -0.923 -2.572 -2.463 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.450 -2.213 -0.154 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -2.125 -3.752 -0.652 1.00 0.00 H new ATOM 0 HD1 HIS A 447 -1.192 -5.925 0.497 1.00 0.00 H new ATOM 0 HD2 HIS A 447 0.639 -2.351 1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 447 0.203 -6.447 2.578 1.00 0.00 H new ATOM 52 N ARG A 448 1.024 -1.192 -1.704 1.00 0.00 N ATOM 53 CA ARG A 448 2.268 -0.453 -1.602 1.00 0.00 C ATOM 54 C ARG A 448 2.522 0.021 -0.173 1.00 0.00 C ATOM 55 O ARG A 448 1.601 0.433 0.533 1.00 0.00 O ATOM 56 CB ARG A 448 2.248 0.762 -2.533 1.00 0.00 C ATOM 57 CG ARG A 448 2.132 0.442 -4.014 1.00 0.00 C ATOM 58 CD ARG A 448 2.297 1.705 -4.846 1.00 0.00 C ATOM 59 NE ARG A 448 2.169 1.457 -6.281 1.00 0.00 N ATOM 60 CZ ARG A 448 2.857 2.122 -7.215 1.00 0.00 C ATOM 61 NH1 ARG A 448 3.785 2.999 -6.863 1.00 0.00 N ATOM 62 NH2 ARG A 448 2.636 1.892 -8.499 1.00 0.00 N ATOM 0 H ARG A 448 0.208 -0.622 -1.927 1.00 0.00 H new ATOM 0 HA ARG A 448 3.070 -1.130 -1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 448 1.413 1.403 -2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 448 3.160 1.337 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 448 2.891 -0.288 -4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 448 1.162 -0.012 -4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 448 1.549 2.437 -4.540 1.00 0.00 H new ATOM 0 HD3 ARG A 448 3.274 2.144 -4.643 1.00 0.00 H new ATOM 0 HE ARG A 448 1.517 0.735 -6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 448 3.977 3.169 -5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 448 4.307 3.504 -7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 448 1.938 1.204 -8.781 1.00 0.00 H new ATOM 0 HH22 ARG A 448 3.164 2.402 -9.207 1.00 0.00 H new ATOM 76 N HIS A 449 3.772 -0.074 0.251 1.00 0.00 N ATOM 77 CA HIS A 449 4.237 0.577 1.469 1.00 0.00 C ATOM 78 C HIS A 449 4.933 1.875 1.089 1.00 0.00 C ATOM 79 O HIS A 449 5.765 1.881 0.185 1.00 0.00 O ATOM 80 CB HIS A 449 5.217 -0.321 2.234 1.00 0.00 C ATOM 81 CG HIS A 449 4.578 -1.381 3.078 1.00 0.00 C ATOM 82 ND1 HIS A 449 5.292 -2.203 3.915 1.00 0.00 N ATOM 83 CD2 HIS A 449 3.273 -1.734 3.229 1.00 0.00 C ATOM 84 CE1 HIS A 449 4.425 -3.013 4.536 1.00 0.00 C ATOM 85 NE2 HIS A 449 3.184 -2.774 4.159 1.00 0.00 N ATOM 0 H HIS A 449 4.494 -0.604 -0.238 1.00 0.00 H new ATOM 0 HA HIS A 449 3.381 0.774 2.115 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.882 -0.801 1.516 1.00 0.00 H new ATOM 0 HB3 HIS A 449 5.838 0.306 2.874 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.439 -1.283 2.713 1.00 0.00 H new ATOM 0 HE1 HIS A 449 4.707 -3.768 5.255 1.00 0.00 H new ATOM 0 HE2 HIS A 449 2.339 -3.247 4.478 1.00 0.00 H new ATOM 93 N ILE A 450 4.619 2.963 1.782 1.00 0.00 N ATOM 94 CA ILE A 450 5.132 4.283 1.413 1.00 0.00 C ATOM 95 C ILE A 450 6.568 4.495 1.918 1.00 0.00 C ATOM 96 O ILE A 450 7.084 5.612 1.917 1.00 0.00 O ATOM 97 CB ILE A 450 4.199 5.402 1.942 1.00 0.00 C ATOM 98 CG1 ILE A 450 4.485 6.730 1.230 1.00 0.00 C ATOM 99 CG2 ILE A 450 4.338 5.556 3.448 1.00 0.00 C ATOM 100 CD1 ILE A 450 3.567 7.861 1.645 1.00 0.00 C ATOM 0 H ILE A 450 4.013 2.961 2.602 1.00 0.00 H new ATOM 0 HA ILE A 450 5.153 4.333 0.324 1.00 0.00 H new ATOM 0 HB ILE A 450 3.170 5.115 1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 450 5.516 7.022 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 450 4.397 6.580 0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 450 3.674 6.347 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 450 4.072 4.618 3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 450 5.368 5.813 3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 450 3.833 8.765 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.535 7.592 1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 450 3.672 8.041 2.715 1.00 0.00 H new ATOM 112 N ARG A 451 7.213 3.401 2.329 1.00 0.00 N ATOM 113 CA ARG A 451 8.605 3.434 2.784 1.00 0.00 C ATOM 114 C ARG A 451 8.720 4.173 4.123 1.00 0.00 C ATOM 115 O ARG A 451 9.807 4.551 4.555 1.00 0.00 O ATOM 116 CB ARG A 451 9.488 4.080 1.703 1.00 0.00 C ATOM 117 CG ARG A 451 10.978 3.869 1.896 1.00 0.00 C ATOM 118 CD ARG A 451 11.670 4.561 0.804 1.00 0.00 C ATOM 119 NE ARG A 451 13.220 4.359 0.955 1.00 0.00 N ATOM 120 CZ ARG A 451 14.115 4.703 0.028 1.00 0.00 C ATOM 121 NH1 ARG A 451 13.716 5.252 -1.110 1.00 0.00 N ATOM 122 NH2 ARG A 451 15.406 4.481 0.234 1.00 0.00 N ATOM 0 H ARG A 451 6.789 2.474 2.356 1.00 0.00 H new ATOM 0 HA ARG A 451 8.954 2.414 2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 451 9.201 3.680 0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 451 9.286 5.151 1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 451 11.298 4.261 2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 451 11.218 2.806 1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 451 11.334 4.173 -0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 451 11.428 5.624 0.821 1.00 0.00 H new ATOM 0 HE ARG A 451 13.564 3.938 1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 451 12.723 5.412 -1.278 1.00 0.00 H new ATOM 0 HH12 ARG A 451 14.402 5.514 -1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 451 15.716 4.046 1.103 1.00 0.00 H new ATOM 0 HH22 ARG A 451 16.089 4.745 -0.476 1.00 0.00 H new ATOM 136 N GLY A 452 7.589 4.342 4.788 1.00 0.00 N ATOM 137 CA GLY A 452 7.572 4.991 6.084 1.00 0.00 C ATOM 138 C GLY A 452 6.502 4.405 6.971 1.00 0.00 C ATOM 139 O GLY A 452 6.767 4.009 8.105 1.00 0.00 O ATOM 0 H GLY A 452 6.675 4.039 4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 452 8.545 4.881 6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 452 7.398 6.060 5.957 1.00 0.00 H new ATOM 143 N GLU A 453 5.286 4.353 6.447 1.00 0.00 N ATOM 144 CA GLU A 453 4.169 3.731 7.140 1.00 0.00 C ATOM 145 C GLU A 453 4.346 2.218 7.167 1.00 0.00 C ATOM 146 O GLU A 453 4.654 1.605 6.140 1.00 0.00 O ATOM 147 CB GLU A 453 2.857 4.085 6.439 1.00 0.00 C ATOM 148 CG GLU A 453 2.533 5.569 6.463 1.00 0.00 C ATOM 149 CD GLU A 453 1.547 5.943 7.551 1.00 0.00 C ATOM 150 OE1 GLU A 453 1.926 5.940 8.740 1.00 0.00 O ATOM 151 OE2 GLU A 453 0.383 6.239 7.221 1.00 0.00 O ATOM 0 H GLU A 453 5.047 4.739 5.534 1.00 0.00 H new ATOM 0 HA GLU A 453 4.140 4.104 8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 453 2.907 3.750 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 453 2.043 3.537 6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 453 3.454 6.134 6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 453 2.126 5.862 5.495 1.00 0.00 H new ATOM 158 N ALA A 454 4.151 1.626 8.338 1.00 0.00 N ATOM 159 CA ALA A 454 4.308 0.181 8.519 1.00 0.00 C ATOM 160 C ALA A 454 3.410 -0.609 7.568 1.00 0.00 C ATOM 161 O ALA A 454 3.790 -1.673 7.075 1.00 0.00 O ATOM 162 CB ALA A 454 4.008 -0.206 9.961 1.00 0.00 C ATOM 0 H ALA A 454 3.882 2.125 9.186 1.00 0.00 H new ATOM 0 HA ALA A 454 5.343 -0.069 8.286 1.00 0.00 H new ATOM 0 HB1 ALA A 454 4.128 -1.283 10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 454 4.697 0.313 10.628 1.00 0.00 H new ATOM 0 HB3 ALA A 454 2.984 0.074 10.207 1.00 0.00 H new ATOM 168 N CYS A 455 2.216 -0.089 7.320 1.00 0.00 N ATOM 169 CA CYS A 455 1.275 -0.722 6.408 1.00 0.00 C ATOM 170 C CYS A 455 0.090 0.211 6.175 1.00 0.00 C ATOM 171 O CYS A 455 -0.791 0.326 7.023 1.00 0.00 O ATOM 172 CB CYS A 455 0.811 -2.069 6.979 1.00 0.00 C ATOM 173 SG CYS A 455 -0.023 -3.163 5.786 1.00 0.00 S ATOM 0 H CYS A 455 1.875 0.775 7.741 1.00 0.00 H new ATOM 0 HA CYS A 455 1.763 -0.913 5.452 1.00 0.00 H new ATOM 0 HB2 CYS A 455 1.677 -2.592 7.385 1.00 0.00 H new ATOM 0 HB3 CYS A 455 0.133 -1.880 7.811 1.00 0.00 H new ATOM 0 HG CYS A 455 0.743 -4.179 5.520 1.00 0.00 H new ATOM 178 N PRO A 456 0.070 0.897 5.013 1.00 0.00 N ATOM 179 CA PRO A 456 -0.940 1.922 4.681 1.00 0.00 C ATOM 180 C PRO A 456 -2.342 1.355 4.421 1.00 0.00 C ATOM 181 O PRO A 456 -3.069 1.849 3.559 1.00 0.00 O ATOM 182 CB PRO A 456 -0.393 2.570 3.396 1.00 0.00 C ATOM 183 CG PRO A 456 1.010 2.092 3.268 1.00 0.00 C ATOM 184 CD PRO A 456 1.046 0.750 3.929 1.00 0.00 C ATOM 0 HA PRO A 456 -1.074 2.610 5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -0.986 2.280 2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -0.432 3.657 3.459 1.00 0.00 H new ATOM 0 HG2 PRO A 456 1.304 2.020 2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 456 1.704 2.783 3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 456 0.769 -0.048 3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 456 2.040 0.512 4.309 1.00 0.00 H new ATOM 192 N LEU A 457 -2.728 0.349 5.183 1.00 0.00 N ATOM 193 CA LEU A 457 -4.046 -0.246 5.053 1.00 0.00 C ATOM 194 C LEU A 457 -4.933 0.216 6.203 1.00 0.00 C ATOM 195 O LEU A 457 -4.424 0.633 7.242 1.00 0.00 O ATOM 196 CB LEU A 457 -3.943 -1.772 5.020 1.00 0.00 C ATOM 197 CG LEU A 457 -3.289 -2.340 3.762 1.00 0.00 C ATOM 198 CD1 LEU A 457 -3.289 -3.853 3.803 1.00 0.00 C ATOM 199 CD2 LEU A 457 -4.007 -1.853 2.516 1.00 0.00 C ATOM 0 H LEU A 457 -2.144 -0.076 5.903 1.00 0.00 H new ATOM 0 HA LEU A 457 -4.495 0.079 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -3.375 -2.103 5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -4.944 -2.192 5.114 1.00 0.00 H new ATOM 0 HG LEU A 457 -2.258 -1.989 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.819 -4.241 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -2.732 -4.193 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -4.315 -4.215 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -3.525 -2.270 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -5.048 -2.175 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.965 -0.765 2.474 1.00 0.00 H new ATOM 211 N PRO A 458 -6.265 0.167 6.044 1.00 0.00 N ATOM 212 CA PRO A 458 -6.936 -0.339 4.852 1.00 0.00 C ATOM 213 C PRO A 458 -7.216 0.750 3.821 1.00 0.00 C ATOM 214 O PRO A 458 -8.312 0.835 3.270 1.00 0.00 O ATOM 215 CB PRO A 458 -8.249 -0.891 5.411 1.00 0.00 C ATOM 216 CG PRO A 458 -8.465 -0.215 6.735 1.00 0.00 C ATOM 217 CD PRO A 458 -7.237 0.606 7.043 1.00 0.00 C ATOM 0 HA PRO A 458 -6.327 -1.071 4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -9.076 -0.687 4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -8.195 -1.973 5.532 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -9.350 0.421 6.699 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -8.636 -0.954 7.517 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -7.439 1.674 6.962 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -6.879 0.425 8.056 1.00 0.00 H new ATOM 225 N HIS A 459 -6.220 1.582 3.558 1.00 0.00 N ATOM 226 CA HIS A 459 -6.342 2.630 2.553 1.00 0.00 C ATOM 227 C HIS A 459 -5.798 2.139 1.226 1.00 0.00 C ATOM 228 O HIS A 459 -6.509 2.103 0.225 1.00 0.00 O ATOM 229 CB HIS A 459 -5.569 3.873 2.989 1.00 0.00 C ATOM 230 CG HIS A 459 -5.976 4.404 4.321 1.00 0.00 C ATOM 231 ND1 HIS A 459 -6.700 5.555 4.433 1.00 0.00 N ATOM 232 CD2 HIS A 459 -5.700 3.929 5.560 1.00 0.00 C ATOM 233 CE1 HIS A 459 -6.848 5.766 5.727 1.00 0.00 C ATOM 234 NE2 HIS A 459 -6.257 4.804 6.453 1.00 0.00 N ATOM 0 H HIS A 459 -5.315 1.552 4.028 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.396 2.885 2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -4.505 3.637 3.013 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -5.705 4.654 2.241 1.00 0.00 H new ATOM 0 HD1 HIS A 459 -7.054 6.134 3.672 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -5.147 3.032 5.797 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -7.378 6.607 6.149 1.00 0.00 H new ATOM 242 N ARG A 460 -4.511 1.821 1.251 1.00 0.00 N ATOM 243 CA ARG A 460 -3.797 1.201 0.132 1.00 0.00 C ATOM 244 C ARG A 460 -3.378 2.243 -0.892 1.00 0.00 C ATOM 245 O ARG A 460 -4.193 3.032 -1.370 1.00 0.00 O ATOM 246 CB ARG A 460 -4.613 0.085 -0.544 1.00 0.00 C ATOM 247 CG ARG A 460 -3.832 -0.677 -1.606 1.00 0.00 C ATOM 248 CD ARG A 460 -4.699 -1.689 -2.343 1.00 0.00 C ATOM 249 NE ARG A 460 -5.327 -2.661 -1.440 1.00 0.00 N ATOM 250 CZ ARG A 460 -5.051 -3.967 -1.418 1.00 0.00 C ATOM 251 NH1 ARG A 460 -4.141 -4.477 -2.238 1.00 0.00 N ATOM 252 NH2 ARG A 460 -5.696 -4.764 -0.572 1.00 0.00 N ATOM 0 H ARG A 460 -3.918 1.988 2.064 1.00 0.00 H new ATOM 0 HA ARG A 460 -2.904 0.739 0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.956 -0.616 0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -5.502 0.521 -1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.412 0.029 -2.322 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -2.993 -1.192 -1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -5.474 -1.161 -2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -4.089 -2.220 -3.074 1.00 0.00 H new ATOM 0 HE ARG A 460 -6.025 -2.314 -0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -3.646 -3.870 -2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -3.936 -5.476 -2.215 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -6.399 -4.377 0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -5.488 -5.762 -0.552 1.00 0.00 H new ATOM 266 N LEU A 461 -2.091 2.244 -1.209 1.00 0.00 N ATOM 267 CA LEU A 461 -1.549 3.152 -2.204 1.00 0.00 C ATOM 268 C LEU A 461 -1.685 2.539 -3.586 1.00 0.00 C ATOM 269 O LEU A 461 -1.032 1.543 -3.894 1.00 0.00 O ATOM 270 CB LEU A 461 -0.080 3.454 -1.908 1.00 0.00 C ATOM 271 CG LEU A 461 0.203 3.940 -0.486 1.00 0.00 C ATOM 272 CD1 LEU A 461 1.695 4.121 -0.275 1.00 0.00 C ATOM 273 CD2 LEU A 461 -0.532 5.240 -0.215 1.00 0.00 C ATOM 0 H LEU A 461 -1.401 1.622 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 461 -2.109 4.087 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 461 0.505 2.553 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 461 0.269 4.210 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 461 -0.156 3.187 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 461 1.879 4.467 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 461 2.203 3.169 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 461 2.076 4.857 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 461 -0.320 5.573 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 461 -0.200 6.000 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 461 -1.604 5.082 -0.329 1.00 0.00 H new ATOM 285 N ASN A 462 -2.554 3.116 -4.402 1.00 0.00 N ATOM 286 CA ASN A 462 -2.785 2.611 -5.753 1.00 0.00 C ATOM 287 C ASN A 462 -1.525 2.715 -6.614 1.00 0.00 C ATOM 288 O ASN A 462 -0.976 1.702 -7.048 1.00 0.00 O ATOM 289 CB ASN A 462 -3.977 3.330 -6.418 1.00 0.00 C ATOM 290 CG ASN A 462 -3.933 4.846 -6.282 1.00 0.00 C ATOM 291 OD1 ASN A 462 -4.376 5.400 -5.281 1.00 0.00 O ATOM 292 ND2 ASN A 462 -3.416 5.529 -7.293 1.00 0.00 N ATOM 0 H ASN A 462 -3.112 3.934 -4.156 1.00 0.00 H new ATOM 0 HA ASN A 462 -3.036 1.554 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -4.002 3.070 -7.476 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -4.903 2.962 -5.977 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -3.378 6.548 -7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -3.056 5.036 -8.110 1.00 0.00 H new ATOM 299 N SER A 463 -1.056 3.931 -6.847 1.00 0.00 N ATOM 300 CA SER A 463 0.112 4.141 -7.692 1.00 0.00 C ATOM 301 C SER A 463 0.851 5.419 -7.312 1.00 0.00 C ATOM 302 O SER A 463 2.022 5.381 -6.936 1.00 0.00 O ATOM 303 CB SER A 463 -0.320 4.186 -9.160 1.00 0.00 C ATOM 304 OG SER A 463 -1.476 4.997 -9.322 1.00 0.00 O ATOM 0 H SER A 463 -1.463 4.785 -6.465 1.00 0.00 H new ATOM 0 HA SER A 463 0.801 3.309 -7.543 1.00 0.00 H new ATOM 0 HB2 SER A 463 0.493 4.578 -9.771 1.00 0.00 H new ATOM 0 HB3 SER A 463 -0.526 3.176 -9.514 1.00 0.00 H new ATOM 0 HG SER A 463 -2.178 4.480 -9.770 1.00 0.00 H new ATOM 310 N LEU A 464 0.156 6.543 -7.377 1.00 0.00 N ATOM 311 CA LEU A 464 0.762 7.837 -7.085 1.00 0.00 C ATOM 312 C LEU A 464 0.848 8.086 -5.580 1.00 0.00 C ATOM 313 O LEU A 464 1.014 9.225 -5.139 1.00 0.00 O ATOM 314 CB LEU A 464 -0.040 8.953 -7.758 1.00 0.00 C ATOM 315 CG LEU A 464 -0.215 8.807 -9.273 1.00 0.00 C ATOM 316 CD1 LEU A 464 -1.011 9.975 -9.835 1.00 0.00 C ATOM 317 CD2 LEU A 464 1.139 8.699 -9.963 1.00 0.00 C ATOM 0 H LEU A 464 -0.831 6.588 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 464 1.777 7.831 -7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.027 8.998 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 464 0.451 9.905 -7.555 1.00 0.00 H new ATOM 0 HG LEU A 464 -0.771 7.889 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -1.125 9.853 -10.912 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -1.995 10.003 -9.367 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -0.484 10.907 -9.629 1.00 0.00 H new ATOM 0 HD21 LEU A 464 0.992 8.596 -11.038 1.00 0.00 H new ATOM 0 HD22 LEU A 464 1.723 9.597 -9.761 1.00 0.00 H new ATOM 0 HD23 LEU A 464 1.672 7.827 -9.584 1.00 0.00 H new ATOM 329 N GLY A 465 0.754 7.015 -4.804 1.00 0.00 N ATOM 330 CA GLY A 465 0.864 7.123 -3.366 1.00 0.00 C ATOM 331 C GLY A 465 -0.375 7.706 -2.729 1.00 0.00 C ATOM 332 O GLY A 465 -0.284 8.443 -1.750 1.00 0.00 O ATOM 0 H GLY A 465 0.602 6.067 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 465 1.054 6.136 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 465 1.723 7.746 -3.117 1.00 0.00 H new ATOM 336 N GLY A 466 -1.533 7.365 -3.278 1.00 0.00 N ATOM 337 CA GLY A 466 -2.781 7.880 -2.752 1.00 0.00 C ATOM 338 C GLY A 466 -3.703 6.775 -2.275 1.00 0.00 C ATOM 339 O GLY A 466 -3.384 5.596 -2.417 1.00 0.00 O ATOM 0 H GLY A 466 -1.630 6.741 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -2.572 8.558 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -3.285 8.463 -3.523 1.00 0.00 H new ATOM 343 N CYS A 467 -4.846 7.153 -1.709 1.00 0.00 N ATOM 344 CA CYS A 467 -5.823 6.179 -1.230 1.00 0.00 C ATOM 345 C CYS A 467 -7.237 6.667 -1.503 1.00 0.00 C ATOM 346 O CYS A 467 -7.600 7.773 -1.106 1.00 0.00 O ATOM 347 CB CYS A 467 -5.645 5.901 0.272 1.00 0.00 C ATOM 348 SG CYS A 467 -6.070 7.291 1.383 1.00 0.00 S ATOM 0 H CYS A 467 -5.119 8.126 -1.571 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.656 5.248 -1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.260 5.042 0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -4.608 5.619 0.452 1.00 0.00 H new ATOM 0 HG CYS A 467 -6.999 8.016 0.835 1.00 0.00 H new ATOM 353 N ARG A 468 -8.037 5.841 -2.168 1.00 0.00 N ATOM 354 CA ARG A 468 -9.419 6.201 -2.478 1.00 0.00 C ATOM 355 C ARG A 468 -10.285 6.088 -1.226 1.00 0.00 C ATOM 356 O ARG A 468 -11.024 5.122 -1.059 1.00 0.00 O ATOM 357 CB ARG A 468 -9.984 5.293 -3.578 1.00 0.00 C ATOM 358 CG ARG A 468 -11.283 5.802 -4.192 1.00 0.00 C ATOM 359 CD ARG A 468 -12.069 4.674 -4.844 1.00 0.00 C ATOM 360 NE ARG A 468 -11.268 3.901 -5.794 1.00 0.00 N ATOM 361 CZ ARG A 468 -11.525 2.635 -6.122 1.00 0.00 C ATOM 362 NH1 ARG A 468 -12.584 2.014 -5.609 1.00 0.00 N ATOM 363 NH2 ARG A 468 -10.735 1.990 -6.971 1.00 0.00 N ATOM 0 H ARG A 468 -7.755 4.920 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 468 -9.430 7.231 -2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -9.238 5.186 -4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -10.154 4.299 -3.164 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -11.892 6.273 -3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -11.060 6.569 -4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -12.450 4.008 -4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -12.934 5.091 -5.360 1.00 0.00 H new ATOM 0 HE ARG A 468 -10.467 4.357 -6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -13.201 2.507 -4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -12.779 1.045 -5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -9.927 2.463 -7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -10.936 1.021 -7.219 1.00 0.00 H new ATOM 377 N CYS A 469 -10.159 7.072 -0.347 1.00 0.00 N ATOM 378 CA CYS A 469 -10.899 7.088 0.918 1.00 0.00 C ATOM 379 C CYS A 469 -10.501 8.234 1.841 1.00 0.00 C ATOM 380 O CYS A 469 -11.070 8.377 2.921 1.00 0.00 O ATOM 381 CB CYS A 469 -10.702 5.803 1.718 1.00 0.00 C ATOM 382 SG CYS A 469 -9.019 5.108 1.687 1.00 0.00 S ATOM 0 H CYS A 469 -9.548 7.877 -0.483 1.00 0.00 H new ATOM 0 HA CYS A 469 -11.938 7.205 0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -10.977 5.996 2.755 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -11.394 5.051 1.339 1.00 0.00 H new ATOM 0 HG CYS A 469 -8.153 6.073 1.593 1.00 0.00 H new ATOM 387 N GLY A 470 -9.527 9.038 1.453 1.00 0.00 N ATOM 388 CA GLY A 470 -8.990 9.998 2.382 1.00 0.00 C ATOM 389 C GLY A 470 -7.746 9.475 3.075 1.00 0.00 C ATOM 390 O GLY A 470 -7.730 8.346 3.558 1.00 0.00 O ATOM 0 H GLY A 470 -9.105 9.043 0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -8.751 10.921 1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -9.746 10.244 3.128 1.00 0.00 H new ATOM 394 N LYS A 471 -6.680 10.236 2.939 1.00 0.00 N ATOM 395 CA LYS A 471 -5.445 10.149 3.750 1.00 0.00 C ATOM 396 C LYS A 471 -4.247 10.507 2.886 1.00 0.00 C ATOM 397 O LYS A 471 -3.526 11.463 3.163 1.00 0.00 O ATOM 398 CB LYS A 471 -5.187 8.769 4.399 1.00 0.00 C ATOM 399 CG LYS A 471 -3.985 8.789 5.331 1.00 0.00 C ATOM 400 CD LYS A 471 -3.785 7.466 6.053 1.00 0.00 C ATOM 401 CE LYS A 471 -2.558 7.514 6.955 1.00 0.00 C ATOM 402 NZ LYS A 471 -2.302 6.219 7.638 1.00 0.00 N ATOM 0 H LYS A 471 -6.631 10.971 2.233 1.00 0.00 H new ATOM 0 HA LYS A 471 -5.587 10.853 4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -6.072 8.460 4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -5.027 8.026 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -3.089 9.025 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -4.112 9.584 6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -4.669 7.235 6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -3.673 6.663 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -1.685 7.787 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -2.691 8.295 7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -1.284 6.006 7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -2.614 6.281 8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -2.828 5.462 7.156 1.00 0.00 H new ATOM 416 N TYR A 472 -4.059 9.739 1.827 1.00 0.00 N ATOM 417 CA TYR A 472 -2.910 9.908 0.955 1.00 0.00 C ATOM 418 C TYR A 472 -3.312 10.648 -0.313 1.00 0.00 C ATOM 419 O TYR A 472 -4.229 10.219 -1.019 1.00 0.00 O ATOM 420 CB TYR A 472 -2.324 8.551 0.583 1.00 0.00 C ATOM 421 CG TYR A 472 -1.888 7.724 1.769 1.00 0.00 C ATOM 422 CD1 TYR A 472 -0.699 7.996 2.432 1.00 0.00 C ATOM 423 CD2 TYR A 472 -2.655 6.657 2.205 1.00 0.00 C ATOM 424 CE1 TYR A 472 -0.292 7.231 3.506 1.00 0.00 C ATOM 425 CE2 TYR A 472 -2.259 5.889 3.279 1.00 0.00 C ATOM 426 CZ TYR A 472 -1.074 6.173 3.922 1.00 0.00 C ATOM 427 OH TYR A 472 -0.679 5.398 4.989 1.00 0.00 O ATOM 0 H TYR A 472 -4.691 8.988 1.549 1.00 0.00 H new ATOM 0 HA TYR A 472 -2.159 10.491 1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -3.066 7.990 0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -1.468 8.704 -0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.083 8.819 2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -3.578 6.423 1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 472 0.632 7.459 4.017 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -2.875 5.068 3.615 1.00 0.00 H new ATOM 0 HH TYR A 472 -0.403 5.977 5.730 1.00 0.00 H new ATOM 437 N PRO A 473 -2.649 11.777 -0.599 1.00 0.00 N ATOM 438 CA PRO A 473 -2.848 12.525 -1.829 1.00 0.00 C ATOM 439 C PRO A 473 -1.892 12.051 -2.927 1.00 0.00 C ATOM 440 O PRO A 473 -1.367 10.939 -2.868 1.00 0.00 O ATOM 441 CB PRO A 473 -2.537 13.960 -1.402 1.00 0.00 C ATOM 442 CG PRO A 473 -1.581 13.843 -0.254 1.00 0.00 C ATOM 443 CD PRO A 473 -1.653 12.424 0.264 1.00 0.00 C ATOM 0 HA PRO A 473 -3.846 12.407 -2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -2.096 14.526 -2.223 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -3.444 14.485 -1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 473 -0.567 14.081 -0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -1.841 14.551 0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -0.685 11.926 0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -1.955 12.397 1.311 1.00 0.00 H new ATOM 451 N ASN A 474 -1.658 12.890 -3.926 1.00 0.00 N ATOM 452 CA ASN A 474 -0.752 12.532 -5.008 1.00 0.00 C ATOM 453 C ASN A 474 0.678 12.897 -4.627 1.00 0.00 C ATOM 454 O ASN A 474 1.172 13.970 -4.967 1.00 0.00 O ATOM 455 CB ASN A 474 -1.151 13.222 -6.319 1.00 0.00 C ATOM 456 CG ASN A 474 -2.565 12.883 -6.756 1.00 0.00 C ATOM 457 OD1 ASN A 474 -3.516 13.591 -6.424 1.00 0.00 O ATOM 458 ND2 ASN A 474 -2.719 11.799 -7.502 1.00 0.00 N ATOM 0 H ASN A 474 -2.079 13.815 -4.010 1.00 0.00 H new ATOM 0 HA ASN A 474 -0.816 11.456 -5.168 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -1.062 14.302 -6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -0.453 12.931 -7.104 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -3.649 11.527 -7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -1.908 11.236 -7.758 1.00 0.00 H new ATOM 465 N LEU A 475 1.323 12.002 -3.889 1.00 0.00 N ATOM 466 CA LEU A 475 2.672 12.246 -3.390 1.00 0.00 C ATOM 467 C LEU A 475 3.726 11.738 -4.367 1.00 0.00 C ATOM 468 O LEU A 475 4.753 12.382 -4.567 1.00 0.00 O ATOM 469 CB LEU A 475 2.863 11.567 -2.034 1.00 0.00 C ATOM 470 CG LEU A 475 1.960 12.085 -0.916 1.00 0.00 C ATOM 471 CD1 LEU A 475 2.152 11.255 0.345 1.00 0.00 C ATOM 472 CD2 LEU A 475 2.240 13.557 -0.635 1.00 0.00 C ATOM 0 H LEU A 475 0.933 11.098 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 475 2.795 13.323 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 475 2.690 10.497 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 475 3.902 11.690 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 475 0.923 11.992 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 475 1.502 11.635 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 475 1.900 10.215 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 475 3.191 11.319 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 475 1.586 13.906 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 475 3.280 13.678 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 475 2.054 14.141 -1.536 1.00 0.00 H new ATOM 484 N LYS A 476 3.452 10.580 -4.965 1.00 0.00 N ATOM 485 CA LYS A 476 4.391 9.903 -5.866 1.00 0.00 C ATOM 486 C LYS A 476 5.732 9.661 -5.177 1.00 0.00 C ATOM 487 O LYS A 476 6.707 10.381 -5.405 1.00 0.00 O ATOM 488 CB LYS A 476 4.602 10.695 -7.162 1.00 0.00 C ATOM 489 CG LYS A 476 3.318 11.011 -7.912 1.00 0.00 C ATOM 490 CD LYS A 476 3.609 11.648 -9.261 1.00 0.00 C ATOM 491 CE LYS A 476 4.481 12.882 -9.117 1.00 0.00 C ATOM 492 NZ LYS A 476 4.880 13.435 -10.433 1.00 0.00 N ATOM 0 H LYS A 476 2.571 10.081 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 476 3.950 8.940 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 476 5.111 11.629 -6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 476 5.263 10.129 -7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 476 2.744 10.096 -8.056 1.00 0.00 H new ATOM 0 HG3 LYS A 476 2.702 11.683 -7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 476 4.105 10.924 -9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 476 2.671 11.918 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 476 3.942 13.643 -8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 476 5.373 12.631 -8.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 5.474 14.276 -10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 5.416 12.718 -10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 4.030 13.699 -10.971 1.00 0.00 H new ATOM 506 N LYS A 477 5.769 8.653 -4.319 1.00 0.00 N ATOM 507 CA LYS A 477 6.984 8.310 -3.590 1.00 0.00 C ATOM 508 C LYS A 477 7.360 6.854 -3.844 1.00 0.00 C ATOM 509 O LYS A 477 6.480 6.021 -4.086 1.00 0.00 O ATOM 510 CB LYS A 477 6.794 8.547 -2.084 1.00 0.00 C ATOM 511 CG LYS A 477 6.542 10.002 -1.721 1.00 0.00 C ATOM 512 CD LYS A 477 6.451 10.196 -0.212 1.00 0.00 C ATOM 513 CE LYS A 477 6.260 11.659 0.153 1.00 0.00 C ATOM 514 NZ LYS A 477 6.270 11.879 1.623 1.00 0.00 N ATOM 0 H LYS A 477 4.970 8.055 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 477 7.790 8.951 -3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.957 7.944 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 477 7.681 8.198 -1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.345 10.622 -2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 477 5.617 10.339 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 477 5.620 9.611 0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 477 7.358 9.818 0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 477 7.051 12.252 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.315 12.014 -0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 6.136 12.891 1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 5.499 11.335 2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 7.181 11.566 2.015 1.00 0.00 H new ATOM 528 N PRO A 478 8.672 6.537 -3.821 1.00 0.00 N ATOM 529 CA PRO A 478 9.162 5.164 -3.994 1.00 0.00 C ATOM 530 C PRO A 478 8.462 4.189 -3.052 1.00 0.00 C ATOM 531 O PRO A 478 8.694 4.197 -1.843 1.00 0.00 O ATOM 532 CB PRO A 478 10.651 5.271 -3.655 1.00 0.00 C ATOM 533 CG PRO A 478 11.004 6.683 -3.960 1.00 0.00 C ATOM 534 CD PRO A 478 9.671 7.498 -3.640 1.00 0.00 C ATOM 0 HA PRO A 478 8.973 4.780 -4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 478 10.837 5.033 -2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 478 11.244 4.577 -4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 478 11.837 7.026 -3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 478 11.304 6.803 -5.001 1.00 0.00 H new ATOM 0 HD2 PRO A 478 9.673 7.894 -2.625 1.00 0.00 H new ATOM 0 HD3 PRO A 478 9.544 8.346 -4.313 1.00 0.00 H new ATOM 542 N THR A 479 7.588 3.368 -3.610 1.00 0.00 N ATOM 543 CA THR A 479 6.734 2.509 -2.812 1.00 0.00 C ATOM 544 C THR A 479 7.196 1.051 -2.848 1.00 0.00 C ATOM 545 O THR A 479 7.642 0.547 -3.881 1.00 0.00 O ATOM 546 CB THR A 479 5.274 2.639 -3.289 1.00 0.00 C ATOM 547 OG1 THR A 479 5.235 3.358 -4.532 1.00 0.00 O ATOM 548 CG2 THR A 479 4.435 3.382 -2.259 1.00 0.00 C ATOM 0 H THR A 479 7.452 3.279 -4.617 1.00 0.00 H new ATOM 0 HA THR A 479 6.800 2.834 -1.774 1.00 0.00 H new ATOM 0 HB THR A 479 4.865 1.637 -3.423 1.00 0.00 H new ATOM 0 HG1 THR A 479 5.505 4.288 -4.381 1.00 0.00 H new ATOM 0 HG21 THR A 479 3.408 3.463 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 479 4.450 2.836 -1.316 1.00 0.00 H new ATOM 0 HG23 THR A 479 4.846 4.380 -2.107 1.00 0.00 H new ATOM 556 N VAL A 480 7.105 0.389 -1.700 1.00 0.00 N ATOM 557 CA VAL A 480 7.547 -0.991 -1.560 1.00 0.00 C ATOM 558 C VAL A 480 6.386 -1.950 -1.794 1.00 0.00 C ATOM 559 O VAL A 480 5.304 -1.773 -1.232 1.00 0.00 O ATOM 560 CB VAL A 480 8.126 -1.247 -0.154 1.00 0.00 C ATOM 561 CG1 VAL A 480 8.718 -2.647 -0.058 1.00 0.00 C ATOM 562 CG2 VAL A 480 9.162 -0.193 0.210 1.00 0.00 C ATOM 0 H VAL A 480 6.724 0.793 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 480 8.324 -1.163 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 480 7.309 -1.176 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.120 -2.804 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 480 7.941 -3.385 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.517 -2.755 -0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 480 9.554 -0.397 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 480 9.977 -0.219 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 480 8.698 0.793 0.198 1.00 0.00 H new ATOM 572 N TRP A 481 6.616 -2.961 -2.617 1.00 0.00 N ATOM 573 CA TRP A 481 5.599 -3.964 -2.892 1.00 0.00 C ATOM 574 C TRP A 481 5.637 -5.076 -1.857 1.00 0.00 C ATOM 575 O TRP A 481 6.592 -5.851 -1.793 1.00 0.00 O ATOM 576 CB TRP A 481 5.776 -4.546 -4.294 1.00 0.00 C ATOM 577 CG TRP A 481 5.443 -3.568 -5.371 1.00 0.00 C ATOM 578 CD1 TRP A 481 6.313 -2.945 -6.218 1.00 0.00 C ATOM 579 CD2 TRP A 481 4.139 -3.080 -5.699 1.00 0.00 C ATOM 580 NE1 TRP A 481 5.627 -2.105 -7.059 1.00 0.00 N ATOM 581 CE2 TRP A 481 4.291 -2.171 -6.760 1.00 0.00 C ATOM 582 CE3 TRP A 481 2.858 -3.331 -5.198 1.00 0.00 C ATOM 583 CZ2 TRP A 481 3.210 -1.508 -7.328 1.00 0.00 C ATOM 584 CZ3 TRP A 481 1.786 -2.672 -5.763 1.00 0.00 C ATOM 585 CH2 TRP A 481 1.969 -1.773 -6.820 1.00 0.00 C ATOM 0 H TRP A 481 7.499 -3.109 -3.107 1.00 0.00 H new ATOM 0 HA TRP A 481 4.627 -3.474 -2.837 1.00 0.00 H new ATOM 0 HB2 TRP A 481 6.807 -4.879 -4.417 1.00 0.00 H new ATOM 0 HB3 TRP A 481 5.142 -5.426 -4.400 1.00 0.00 H new ATOM 0 HD1 TRP A 481 7.383 -3.091 -6.225 1.00 0.00 H new ATOM 0 HE1 TRP A 481 6.044 -1.526 -7.788 1.00 0.00 H new ATOM 0 HE3 TRP A 481 2.711 -4.027 -4.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 3.345 -0.809 -8.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 0.791 -2.852 -5.384 1.00 0.00 H new ATOM 0 HH2 TRP A 481 1.109 -1.277 -7.245 1.00 0.00 H new ATOM 596 N ARG A 482 4.606 -5.128 -1.032 1.00 0.00 N ATOM 597 CA ARG A 482 4.464 -6.191 -0.050 1.00 0.00 C ATOM 598 C ARG A 482 3.111 -6.873 -0.193 1.00 0.00 C ATOM 599 O ARG A 482 2.101 -6.221 -0.461 1.00 0.00 O ATOM 600 CB ARG A 482 4.618 -5.639 1.368 1.00 0.00 C ATOM 601 CG ARG A 482 6.037 -5.212 1.714 1.00 0.00 C ATOM 602 CD ARG A 482 7.000 -6.389 1.660 1.00 0.00 C ATOM 603 NE ARG A 482 8.348 -6.029 2.107 1.00 0.00 N ATOM 604 CZ ARG A 482 9.320 -6.915 2.321 1.00 0.00 C ATOM 605 NH1 ARG A 482 9.093 -8.209 2.121 1.00 0.00 N ATOM 606 NH2 ARG A 482 10.511 -6.503 2.738 1.00 0.00 N ATOM 0 H ARG A 482 3.850 -4.443 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 482 5.250 -6.924 -0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 482 3.952 -4.784 1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 482 4.294 -6.398 2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 482 6.366 -4.439 1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 482 6.053 -4.772 2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 482 6.617 -7.197 2.283 1.00 0.00 H new ATOM 0 HD3 ARG A 482 7.048 -6.769 0.640 1.00 0.00 H new ATOM 0 HE ARG A 482 8.555 -5.042 2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 482 8.176 -8.523 1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 482 9.836 -8.888 2.284 1.00 0.00 H new ATOM 0 HH21 ARG A 482 10.681 -5.509 2.894 1.00 0.00 H new ATOM 0 HH22 ARG A 482 11.256 -7.180 2.902 1.00 0.00 H new ATOM 620 N ARG A 483 3.099 -8.187 -0.022 1.00 0.00 N ATOM 621 CA ARG A 483 1.862 -8.950 -0.096 1.00 0.00 C ATOM 622 C ARG A 483 1.620 -9.696 1.206 1.00 0.00 C ATOM 623 O ARG A 483 0.579 -9.530 1.840 1.00 0.00 O ATOM 624 CB ARG A 483 1.894 -9.945 -1.263 1.00 0.00 C ATOM 625 CG ARG A 483 0.652 -10.826 -1.344 1.00 0.00 C ATOM 626 CD ARG A 483 0.721 -11.796 -2.511 1.00 0.00 C ATOM 627 NE ARG A 483 1.906 -12.652 -2.449 1.00 0.00 N ATOM 628 CZ ARG A 483 2.130 -13.675 -3.267 1.00 0.00 C ATOM 629 NH1 ARG A 483 1.213 -14.038 -4.151 1.00 0.00 N ATOM 630 NH2 ARG A 483 3.258 -14.358 -3.173 1.00 0.00 N ATOM 0 H ARG A 483 3.931 -8.746 0.169 1.00 0.00 H new ATOM 0 HA ARG A 483 1.047 -8.246 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 483 2.001 -9.394 -2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 483 2.775 -10.580 -1.165 1.00 0.00 H new ATOM 0 HG2 ARG A 483 0.541 -11.384 -0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 483 -0.233 -10.198 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 483 -0.174 -12.418 -2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 483 0.728 -11.236 -3.446 1.00 0.00 H new ATOM 0 HE ARG A 483 2.604 -12.451 -1.733 1.00 0.00 H new ATOM 0 HH11 ARG A 483 0.329 -13.532 -4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 483 1.390 -14.824 -4.776 1.00 0.00 H new ATOM 0 HH21 ARG A 483 3.954 -14.099 -2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 483 3.432 -15.144 -3.800 1.00 0.00 H new ATOM 644 N GLY A 484 2.594 -10.498 1.607 1.00 0.00 N ATOM 645 CA GLY A 484 2.419 -11.346 2.766 1.00 0.00 C ATOM 646 C GLY A 484 3.129 -10.820 3.993 1.00 0.00 C ATOM 647 O GLY A 484 4.316 -10.474 3.944 1.00 0.00 O ATOM 0 H GLY A 484 3.503 -10.577 1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 484 1.355 -11.443 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 484 2.790 -12.345 2.538 1.00 0.00 H new ATOM 651 N HIS A 485 2.398 -10.752 5.092 1.00 0.00 N ATOM 652 CA HIS A 485 2.962 -10.354 6.370 1.00 0.00 C ATOM 653 C HIS A 485 2.908 -11.524 7.345 1.00 0.00 C ATOM 654 O HIS A 485 3.772 -12.424 7.248 1.00 0.00 O ATOM 655 CB HIS A 485 2.205 -9.148 6.946 1.00 0.00 C ATOM 656 CG HIS A 485 2.449 -7.869 6.206 1.00 0.00 C ATOM 657 ND1 HIS A 485 3.700 -7.430 5.837 1.00 0.00 N ATOM 658 CD2 HIS A 485 1.574 -6.926 5.759 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.554 -6.265 5.197 1.00 0.00 C ATOM 660 NE2 HIS A 485 2.290 -5.915 5.123 1.00 0.00 N ATOM 661 OXT HIS A 485 1.993 -11.552 8.188 1.00 0.00 O ATOM 0 H HIS A 485 1.402 -10.970 5.124 1.00 0.00 H new ATOM 0 HA HIS A 485 4.001 -10.063 6.217 1.00 0.00 H new ATOM 0 HB2 HIS A 485 1.137 -9.364 6.937 1.00 0.00 H new ATOM 0 HB3 HIS A 485 2.494 -9.014 7.988 1.00 0.00 H new ATOM 0 HD1 HIS A 485 4.582 -7.908 6.019 1.00 0.00 H new ATOM 0 HD2 HIS A 485 0.501 -6.957 5.878 1.00 0.00 H new ATOM 0 HE1 HIS A 485 4.371 -5.686 4.793 1.00 0.00 H new