USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 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 36 CYS SG : rot 159:sc= 0.982 USER MOD Set 1.2: A 39 CYS SG : rot -77:sc= -3.48! USER MOD Set 1.3: A 44 HIS : no HE2:sc= -9.44! C(o=-12!,f=-13!) USER MOD Set 1.4: A 49 CYS SG : rot 96:sc= 0.303 USER MOD Set 2.1: A 15 CYS SG : rot 134:sc= -4.21! USER MOD Set 2.2: A 18 CYS SG : rot -77:sc= -2.68 USER MOD Set 2.3: A 23 HIS : no HD1:sc= -2.84! C(o=-9.8!,f=-18!) USER MOD Set 2.4: A 28 CYS SG : rot 108:sc= -0.0499 USER MOD Single : A 2 GLN : amide:sc= -0.296 K(o=-0.3,f=-1.4!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.567 K(o=-0.57,f=-1.2) USER MOD Single : A 8 ASN : amide:sc= -0.821 X(o=-0.82,f=-0.34) USER MOD Single : A 9 GLN : amide:sc= -3.96! C(o=-4!,f=-6.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.92! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.0484 F(o=-0.97,f=-0.048) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -135:sc= -0.812 (180deg=-1.33) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.39! C(o=-7!,f=-4.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -6.82! C(o=-6.8!,f=-11!) USER MOD Single : A 46 MET CE :methyl -164:sc= 0 (180deg=-0.0831) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -33:sc= 0.73 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -31.971 11.103 8.952 1.00 0.00 N ATOM 19 CA GLN A 2 -31.695 10.122 7.914 1.00 0.00 C ATOM 20 C GLN A 2 -33.001 9.636 7.284 1.00 0.00 C ATOM 21 O GLN A 2 -34.002 9.462 7.976 1.00 0.00 O ATOM 22 CB GLN A 2 -30.885 8.950 8.470 1.00 0.00 C ATOM 23 CG GLN A 2 -29.427 9.354 8.708 1.00 0.00 C ATOM 24 CD GLN A 2 -28.950 8.895 10.086 1.00 0.00 C ATOM 25 OE1 GLN A 2 -29.712 8.784 11.031 1.00 0.00 O ATOM 26 NE2 GLN A 2 -27.647 8.633 10.147 1.00 0.00 N ATOM 0 HA GLN A 2 -31.096 10.600 7.139 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -31.329 8.608 9.405 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -30.925 8.113 7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -28.794 8.917 7.936 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -29.328 10.436 8.627 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -27.065 8.747 9.317 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -27.231 8.318 11.023 1.00 0.00 H new ATOM 35 N LYS A 3 -32.948 9.429 5.975 1.00 0.00 N ATOM 36 CA LYS A 3 -34.114 8.966 5.243 1.00 0.00 C ATOM 37 C LYS A 3 -34.545 7.603 5.790 1.00 0.00 C ATOM 38 O LYS A 3 -35.732 7.369 6.019 1.00 0.00 O ATOM 39 CB LYS A 3 -33.836 8.965 3.739 1.00 0.00 C ATOM 40 CG LYS A 3 -32.754 7.944 3.380 1.00 0.00 C ATOM 41 CD LYS A 3 -32.538 7.883 1.867 1.00 0.00 C ATOM 42 CE LYS A 3 -31.263 7.108 1.527 1.00 0.00 C ATOM 43 NZ LYS A 3 -31.170 6.878 0.068 1.00 0.00 N ATOM 0 H LYS A 3 -32.115 9.574 5.404 1.00 0.00 H new ATOM 0 HA LYS A 3 -34.952 9.648 5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -34.753 8.734 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -33.521 9.960 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -31.820 8.210 3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -33.041 6.960 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -33.395 7.406 1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -32.472 8.894 1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.390 7.664 1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -31.260 6.153 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -30.299 6.351 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.994 6.329 -0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.151 7.792 -0.427 1.00 0.00 H new ATOM 57 N GLY A 4 -33.560 6.739 5.981 1.00 0.00 N ATOM 58 CA GLY A 4 -33.823 5.406 6.496 1.00 0.00 C ATOM 59 C GLY A 4 -34.468 5.470 7.882 1.00 0.00 C ATOM 60 O GLY A 4 -34.990 4.472 8.374 1.00 0.00 O ATOM 0 H GLY A 4 -32.578 6.936 5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.479 4.870 5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.891 4.843 6.550 1.00 0.00 H new ATOM 64 N ASN A 5 -34.412 6.656 8.471 1.00 0.00 N ATOM 65 CA ASN A 5 -34.984 6.863 9.790 1.00 0.00 C ATOM 66 C ASN A 5 -36.463 6.474 9.767 1.00 0.00 C ATOM 67 O ASN A 5 -37.060 6.226 10.813 1.00 0.00 O ATOM 68 CB ASN A 5 -34.889 8.332 10.207 1.00 0.00 C ATOM 69 CG ASN A 5 -35.269 8.512 11.678 1.00 0.00 C ATOM 70 OD1 ASN A 5 -36.418 8.378 12.069 1.00 0.00 O ATOM 71 ND2 ASN A 5 -34.245 8.821 12.467 1.00 0.00 N ATOM 0 H ASN A 5 -33.979 7.483 8.059 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.427 6.250 10.498 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -33.874 8.695 10.043 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -35.548 8.934 9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -34.395 8.961 13.466 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -33.309 8.918 12.073 1.00 0.00 H new ATOM 78 N PHE A 6 -37.012 6.431 8.562 1.00 0.00 N ATOM 79 CA PHE A 6 -38.410 6.076 8.387 1.00 0.00 C ATOM 80 C PHE A 6 -38.689 4.669 8.922 1.00 0.00 C ATOM 81 O PHE A 6 -39.843 4.292 9.117 1.00 0.00 O ATOM 82 CB PHE A 6 -38.695 6.103 6.885 1.00 0.00 C ATOM 83 CG PHE A 6 -39.968 5.357 6.479 1.00 0.00 C ATOM 84 CD1 PHE A 6 -41.139 5.613 7.121 1.00 0.00 C ATOM 85 CD2 PHE A 6 -39.928 4.439 5.477 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.321 4.922 6.745 1.00 0.00 C ATOM 87 CE2 PHE A 6 -41.110 3.747 5.101 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.281 4.003 5.743 1.00 0.00 C ATOM 0 H PHE A 6 -36.513 6.636 7.696 1.00 0.00 H new ATOM 0 HA PHE A 6 -39.042 6.776 8.933 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.775 7.140 6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -37.847 5.667 6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -41.170 6.342 7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -38.998 4.236 4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -43.251 5.126 7.254 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -41.079 3.018 4.305 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.180 3.476 5.457 1.00 0.00 H new ATOM 98 N ARG A 7 -37.611 3.932 9.146 1.00 0.00 N ATOM 99 CA ARG A 7 -37.725 2.575 9.654 1.00 0.00 C ATOM 100 C ARG A 7 -38.379 2.580 11.037 1.00 0.00 C ATOM 101 O ARG A 7 -38.763 1.529 11.549 1.00 0.00 O ATOM 102 CB ARG A 7 -36.353 1.905 9.749 1.00 0.00 C ATOM 103 CG ARG A 7 -36.378 0.510 9.123 1.00 0.00 C ATOM 104 CD ARG A 7 -35.086 -0.251 9.424 1.00 0.00 C ATOM 105 NE ARG A 7 -34.398 -0.601 8.162 1.00 0.00 N ATOM 106 CZ ARG A 7 -34.663 -1.700 7.442 1.00 0.00 C ATOM 107 NH1 ARG A 7 -35.603 -2.561 7.855 1.00 0.00 N ATOM 108 NH2 ARG A 7 -33.989 -1.937 6.308 1.00 0.00 N ATOM 0 H ARG A 7 -36.655 4.249 8.985 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.344 2.011 8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.608 2.520 9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -36.051 1.833 10.794 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -37.231 -0.049 9.507 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -36.511 0.594 8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -34.432 0.359 10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -35.311 -1.156 9.988 1.00 0.00 H new ATOM 0 HE ARG A 7 -33.677 0.034 7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -36.117 -2.380 8.717 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -35.805 -3.397 7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -33.274 -1.281 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -34.191 -2.773 5.760 1.00 0.00 H new ATOM 122 N ASN A 8 -38.485 3.774 11.602 1.00 0.00 N ATOM 123 CA ASN A 8 -39.087 3.929 12.916 1.00 0.00 C ATOM 124 C ASN A 8 -40.537 3.442 12.869 1.00 0.00 C ATOM 125 O ASN A 8 -41.159 3.233 13.909 1.00 0.00 O ATOM 126 CB ASN A 8 -39.094 5.396 13.348 1.00 0.00 C ATOM 127 CG ASN A 8 -39.377 5.525 14.846 1.00 0.00 C ATOM 128 OD1 ASN A 8 -38.480 5.629 15.667 1.00 0.00 O ATOM 129 ND2 ASN A 8 -40.671 5.514 15.155 1.00 0.00 N ATOM 0 H ASN A 8 -38.164 4.643 11.174 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.501 3.347 13.627 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -38.132 5.852 13.116 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -39.850 5.942 12.783 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -40.964 5.596 16.129 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -41.371 5.424 14.418 1.00 0.00 H new ATOM 136 N GLN A 9 -41.033 3.276 11.651 1.00 0.00 N ATOM 137 CA GLN A 9 -42.398 2.819 11.456 1.00 0.00 C ATOM 138 C GLN A 9 -42.627 1.499 12.196 1.00 0.00 C ATOM 139 O GLN A 9 -43.753 1.182 12.573 1.00 0.00 O ATOM 140 CB GLN A 9 -42.720 2.674 9.967 1.00 0.00 C ATOM 141 CG GLN A 9 -44.181 2.273 9.758 1.00 0.00 C ATOM 142 CD GLN A 9 -44.770 2.968 8.529 1.00 0.00 C ATOM 143 OE1 GLN A 9 -44.138 3.094 7.493 1.00 0.00 O ATOM 144 NE2 GLN A 9 -46.013 3.409 8.702 1.00 0.00 N ATOM 0 H GLN A 9 -40.514 3.450 10.790 1.00 0.00 H new ATOM 0 HA GLN A 9 -43.073 3.568 11.870 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.521 3.615 9.455 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -42.066 1.924 9.521 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.251 1.192 9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.763 2.534 10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.484 3.270 9.596 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.495 3.886 7.940 1.00 0.00 H new ATOM 153 N ARG A 10 -41.538 0.766 12.382 1.00 0.00 N ATOM 154 CA ARG A 10 -41.607 -0.512 13.071 1.00 0.00 C ATOM 155 C ARG A 10 -42.268 -0.343 14.440 1.00 0.00 C ATOM 156 O ARG A 10 -42.827 -1.293 14.986 1.00 0.00 O ATOM 157 CB ARG A 10 -40.211 -1.112 13.257 1.00 0.00 C ATOM 158 CG ARG A 10 -39.858 -2.047 12.098 1.00 0.00 C ATOM 159 CD ARG A 10 -38.723 -2.997 12.487 1.00 0.00 C ATOM 160 NE ARG A 10 -39.274 -4.200 13.148 1.00 0.00 N ATOM 161 CZ ARG A 10 -39.833 -5.228 12.493 1.00 0.00 C ATOM 162 NH1 ARG A 10 -39.916 -5.204 11.156 1.00 0.00 N ATOM 163 NH2 ARG A 10 -40.307 -6.279 13.175 1.00 0.00 N ATOM 0 H ARG A 10 -40.605 1.032 12.068 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.203 -1.188 12.458 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -39.473 -0.312 13.322 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.169 -1.661 14.198 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -40.737 -2.623 11.810 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -39.563 -1.459 11.229 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -38.159 -3.286 11.600 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -38.027 -2.491 13.156 1.00 0.00 H new ATOM 0 HE ARG A 10 -39.226 -4.251 14.166 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -39.554 -4.404 10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -40.341 -5.986 10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -40.243 -6.297 14.193 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -40.732 -7.061 12.676 1.00 0.00 H new ATOM 177 N LYS A 11 -42.182 0.874 14.956 1.00 0.00 N ATOM 178 CA LYS A 11 -42.766 1.181 16.252 1.00 0.00 C ATOM 179 C LYS A 11 -43.586 2.469 16.145 1.00 0.00 C ATOM 180 O LYS A 11 -43.520 3.325 17.027 1.00 0.00 O ATOM 181 CB LYS A 11 -41.682 1.229 17.329 1.00 0.00 C ATOM 182 CG LYS A 11 -41.428 -0.162 17.915 1.00 0.00 C ATOM 183 CD LYS A 11 -40.154 -0.777 17.332 1.00 0.00 C ATOM 184 CE LYS A 11 -39.992 -2.231 17.781 1.00 0.00 C ATOM 185 NZ LYS A 11 -40.123 -3.147 16.627 1.00 0.00 N ATOM 0 H LYS A 11 -41.717 1.659 14.501 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.452 0.391 16.558 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -40.759 1.622 16.903 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.983 1.912 18.123 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -41.340 -0.093 18.999 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -42.279 -0.810 17.705 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -40.189 -0.730 16.244 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -39.288 -0.196 17.649 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -39.018 -2.366 18.251 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -40.745 -2.472 18.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -40.011 -4.129 16.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -41.062 -3.030 16.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -39.389 -2.927 15.924 1.00 0.00 H new ATOM 199 N THR A 12 -44.338 2.566 15.059 1.00 0.00 N ATOM 200 CA THR A 12 -45.168 3.735 14.826 1.00 0.00 C ATOM 201 C THR A 12 -44.347 4.854 14.183 1.00 0.00 C ATOM 202 O THR A 12 -43.333 5.280 14.734 1.00 0.00 O ATOM 203 CB THR A 12 -45.803 4.136 16.159 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.110 2.894 16.786 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.166 4.809 15.979 1.00 0.00 C ATOM 0 H THR A 12 -44.390 1.854 14.331 1.00 0.00 H new ATOM 0 HA THR A 12 -45.969 3.517 14.120 1.00 0.00 H new ATOM 0 HB THR A 12 -45.132 4.810 16.692 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.524 3.061 17.658 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.573 5.073 16.955 1.00 0.00 H new ATOM 0 HG22 THR A 12 -47.050 5.711 15.378 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.847 4.123 15.476 1.00 0.00 H new ATOM 213 N VAL A 13 -44.815 5.299 13.027 1.00 0.00 N ATOM 214 CA VAL A 13 -44.136 6.360 12.303 1.00 0.00 C ATOM 215 C VAL A 13 -44.835 7.692 12.584 1.00 0.00 C ATOM 216 O VAL A 13 -45.747 7.757 13.408 1.00 0.00 O ATOM 217 CB VAL A 13 -44.075 6.020 10.812 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.353 6.462 10.096 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.839 6.641 10.159 1.00 0.00 C ATOM 0 H VAL A 13 -45.657 4.944 12.573 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.105 6.456 12.644 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.996 4.937 10.718 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.284 6.209 9.038 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.211 5.953 10.535 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.476 7.540 10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.819 6.384 9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -42.875 7.725 10.269 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.941 6.257 10.642 1.00 0.00 H new ATOM 229 N LYS A 14 -44.383 8.721 11.884 1.00 0.00 N ATOM 230 CA LYS A 14 -44.953 10.047 12.048 1.00 0.00 C ATOM 231 C LYS A 14 -45.179 10.674 10.671 1.00 0.00 C ATOM 232 O LYS A 14 -44.266 10.722 9.850 1.00 0.00 O ATOM 233 CB LYS A 14 -44.079 10.896 12.974 1.00 0.00 C ATOM 234 CG LYS A 14 -44.658 12.303 13.136 1.00 0.00 C ATOM 235 CD LYS A 14 -44.761 12.686 14.614 1.00 0.00 C ATOM 236 CE LYS A 14 -44.441 14.168 14.820 1.00 0.00 C ATOM 237 NZ LYS A 14 -45.577 14.858 15.471 1.00 0.00 N ATOM 0 H LYS A 14 -43.628 8.663 11.201 1.00 0.00 H new ATOM 0 HA LYS A 14 -45.926 9.985 12.535 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -44.003 10.416 13.949 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -43.069 10.959 12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -44.027 13.022 12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -45.645 12.350 12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -45.766 12.473 14.979 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -44.073 12.077 15.200 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -43.546 14.271 15.433 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -44.225 14.636 13.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -45.343 15.863 15.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -46.423 14.775 14.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -45.764 14.421 16.396 1.00 0.00 H new ATOM 251 N CYS A 15 -46.403 11.140 10.462 1.00 0.00 N ATOM 252 CA CYS A 15 -46.761 11.761 9.198 1.00 0.00 C ATOM 253 C CYS A 15 -46.481 13.262 9.305 1.00 0.00 C ATOM 254 O CYS A 15 -47.102 13.957 10.107 1.00 0.00 O ATOM 255 CB CYS A 15 -48.217 11.477 8.821 1.00 0.00 C ATOM 256 SG CYS A 15 -48.553 12.085 7.128 1.00 0.00 S ATOM 0 H CYS A 15 -47.158 11.100 11.147 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.157 11.336 8.396 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.414 10.406 8.878 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.887 11.963 9.531 1.00 0.00 H new ATOM 0 HG CYS A 15 -49.205 11.178 6.463 1.00 0.00 H new ATOM 261 N PHE A 16 -45.545 13.716 8.485 1.00 0.00 N ATOM 262 CA PHE A 16 -45.175 15.121 8.478 1.00 0.00 C ATOM 263 C PHE A 16 -46.101 15.927 7.564 1.00 0.00 C ATOM 264 O PHE A 16 -45.764 17.037 7.155 1.00 0.00 O ATOM 265 CB PHE A 16 -43.746 15.204 7.936 1.00 0.00 C ATOM 266 CG PHE A 16 -43.666 15.438 6.426 1.00 0.00 C ATOM 267 CD1 PHE A 16 -43.886 14.409 5.566 1.00 0.00 C ATOM 268 CD2 PHE A 16 -43.373 16.677 5.945 1.00 0.00 C ATOM 269 CE1 PHE A 16 -43.811 14.627 4.165 1.00 0.00 C ATOM 270 CE2 PHE A 16 -43.298 16.894 4.544 1.00 0.00 C ATOM 271 CZ PHE A 16 -43.518 15.864 3.683 1.00 0.00 C ATOM 0 H PHE A 16 -45.032 13.136 7.821 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.254 15.532 9.485 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.221 16.011 8.447 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.222 14.279 8.178 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -44.118 13.426 5.948 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -43.198 17.495 6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -43.987 13.809 3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -43.066 17.877 4.162 1.00 0.00 H new ATOM 0 HZ PHE A 16 -43.460 16.029 2.617 1.00 0.00 H new ATOM 281 N ASN A 17 -47.251 15.337 7.272 1.00 0.00 N ATOM 282 CA ASN A 17 -48.229 15.986 6.415 1.00 0.00 C ATOM 283 C ASN A 17 -49.501 16.263 7.219 1.00 0.00 C ATOM 284 O ASN A 17 -49.971 17.399 7.271 1.00 0.00 O ATOM 285 CB ASN A 17 -48.604 15.092 5.231 1.00 0.00 C ATOM 286 CG ASN A 17 -49.886 15.583 4.558 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.779 14.624 4.330 1.00 0.00 O flip ATOM 288 ND2 ASN A 17 -50.054 16.755 4.264 1.00 0.00 N flip ATOM 0 H ASN A 17 -47.527 14.417 7.614 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.790 16.912 6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.790 15.082 4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.739 14.066 5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -49.327 17.441 4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.921 17.049 3.815 1.00 0.00 H new ATOM 295 N CYS A 18 -50.021 15.207 7.826 1.00 0.00 N ATOM 296 CA CYS A 18 -51.230 15.322 8.625 1.00 0.00 C ATOM 297 C CYS A 18 -50.822 15.533 10.084 1.00 0.00 C ATOM 298 O CYS A 18 -51.569 16.126 10.861 1.00 0.00 O ATOM 299 CB CYS A 18 -52.138 14.103 8.455 1.00 0.00 C ATOM 300 SG CYS A 18 -51.367 12.636 9.232 1.00 0.00 S ATOM 0 H CYS A 18 -49.628 14.267 7.781 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.815 16.177 8.286 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.110 14.297 8.909 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.313 13.914 7.396 1.00 0.00 H new ATOM 0 HG CYS A 18 -50.420 12.186 8.464 1.00 0.00 H new ATOM 305 N GLY A 19 -49.640 15.036 10.412 1.00 0.00 N ATOM 306 CA GLY A 19 -49.124 15.162 11.766 1.00 0.00 C ATOM 307 C GLY A 19 -49.668 14.051 12.665 1.00 0.00 C ATOM 308 O GLY A 19 -49.905 14.269 13.853 1.00 0.00 O ATOM 0 H GLY A 19 -49.023 14.545 9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -48.035 15.121 11.749 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -49.400 16.134 12.175 1.00 0.00 H new ATOM 312 N LYS A 20 -49.852 12.884 12.066 1.00 0.00 N ATOM 313 CA LYS A 20 -50.363 11.739 12.798 1.00 0.00 C ATOM 314 C LYS A 20 -49.367 10.583 12.692 1.00 0.00 C ATOM 315 O LYS A 20 -48.709 10.418 11.666 1.00 0.00 O ATOM 316 CB LYS A 20 -51.772 11.382 12.318 1.00 0.00 C ATOM 317 CG LYS A 20 -52.724 12.569 12.477 1.00 0.00 C ATOM 318 CD LYS A 20 -53.795 12.277 13.530 1.00 0.00 C ATOM 319 CE LYS A 20 -54.160 13.543 14.307 1.00 0.00 C ATOM 320 NZ LYS A 20 -54.849 13.196 15.570 1.00 0.00 N ATOM 0 H LYS A 20 -49.656 12.707 11.081 1.00 0.00 H new ATOM 0 HA LYS A 20 -50.462 11.978 13.857 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -51.737 11.077 11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -52.148 10.531 12.886 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -52.160 13.456 12.764 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -53.199 12.789 11.521 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -54.685 11.874 13.047 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -53.433 11.514 14.220 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -53.259 14.116 14.523 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -54.803 14.178 13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -55.090 14.067 16.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -55.719 12.668 15.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -54.223 12.609 16.157 1.00 0.00 H new ATOM 334 N GLU A 21 -49.286 9.813 13.767 1.00 0.00 N ATOM 335 CA GLU A 21 -48.378 8.678 13.808 1.00 0.00 C ATOM 336 C GLU A 21 -49.071 7.427 13.263 1.00 0.00 C ATOM 337 O GLU A 21 -50.298 7.347 13.250 1.00 0.00 O ATOM 338 CB GLU A 21 -47.859 8.441 15.228 1.00 0.00 C ATOM 339 CG GLU A 21 -48.988 7.990 16.157 1.00 0.00 C ATOM 340 CD GLU A 21 -48.769 8.510 17.579 1.00 0.00 C ATOM 341 OE1 GLU A 21 -48.476 9.719 17.702 1.00 0.00 O ATOM 342 OE2 GLU A 21 -48.900 7.687 18.511 1.00 0.00 O ATOM 0 H GLU A 21 -49.834 9.952 14.616 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.519 8.901 13.175 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.074 7.685 15.210 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.411 9.357 15.613 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -49.943 8.352 15.777 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -49.041 6.901 16.168 1.00 0.00 H new ATOM 349 N GLY A 22 -48.253 6.481 12.825 1.00 0.00 N ATOM 350 CA GLY A 22 -48.771 5.238 12.280 1.00 0.00 C ATOM 351 C GLY A 22 -48.447 5.117 10.789 1.00 0.00 C ATOM 352 O GLY A 22 -48.237 4.016 10.283 1.00 0.00 O ATOM 0 H GLY A 22 -47.235 6.551 12.837 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.342 4.393 12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.850 5.194 12.426 1.00 0.00 H new ATOM 356 N HIS A 23 -48.418 6.264 10.128 1.00 0.00 N ATOM 357 CA HIS A 23 -48.125 6.301 8.705 1.00 0.00 C ATOM 358 C HIS A 23 -47.382 7.596 8.368 1.00 0.00 C ATOM 359 O HIS A 23 -47.221 8.464 9.222 1.00 0.00 O ATOM 360 CB HIS A 23 -49.402 6.118 7.881 1.00 0.00 C ATOM 361 CG HIS A 23 -50.290 7.338 7.846 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.411 7.473 8.646 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.209 8.478 7.100 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.973 8.645 8.383 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.227 9.265 7.425 1.00 0.00 N ATOM 0 H HIS A 23 -48.593 7.175 10.551 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.472 5.469 8.443 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -49.128 5.851 6.860 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.968 5.281 8.289 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.446 8.702 6.369 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -52.865 9.039 8.846 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -51.420 10.183 7.024 1.00 0.00 H new ATOM 373 N ILE A 24 -46.951 7.683 7.118 1.00 0.00 N ATOM 374 CA ILE A 24 -46.228 8.857 6.656 1.00 0.00 C ATOM 375 C ILE A 24 -47.007 9.513 5.514 1.00 0.00 C ATOM 376 O ILE A 24 -47.846 8.872 4.882 1.00 0.00 O ATOM 377 CB ILE A 24 -44.789 8.491 6.289 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.752 7.267 5.371 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.936 8.292 7.544 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.312 6.901 5.003 1.00 0.00 C ATOM 0 H ILE A 24 -47.088 6.961 6.411 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.150 9.595 7.454 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.356 9.323 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.231 6.422 5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.322 7.470 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.918 8.033 7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.924 9.214 8.126 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.358 7.488 8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.314 6.028 4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.844 7.739 4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.751 6.675 5.910 1.00 0.00 H new ATOM 392 N ALA A 25 -46.703 10.781 5.285 1.00 0.00 N ATOM 393 CA ALA A 25 -47.364 11.531 4.230 1.00 0.00 C ATOM 394 C ALA A 25 -47.244 10.762 2.912 1.00 0.00 C ATOM 395 O ALA A 25 -48.183 10.735 2.117 1.00 0.00 O ATOM 396 CB ALA A 25 -46.758 12.933 4.143 1.00 0.00 C ATOM 0 H ALA A 25 -46.007 11.309 5.812 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.425 11.647 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.254 13.495 3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.894 13.448 5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.694 12.856 3.921 1.00 0.00 H new ATOM 402 N LYS A 26 -46.082 10.155 2.721 1.00 0.00 N ATOM 403 CA LYS A 26 -45.828 9.388 1.514 1.00 0.00 C ATOM 404 C LYS A 26 -47.079 8.585 1.152 1.00 0.00 C ATOM 405 O LYS A 26 -47.314 8.290 -0.019 1.00 0.00 O ATOM 406 CB LYS A 26 -44.573 8.529 1.680 1.00 0.00 C ATOM 407 CG LYS A 26 -44.928 7.040 1.715 1.00 0.00 C ATOM 408 CD LYS A 26 -43.665 6.176 1.732 1.00 0.00 C ATOM 409 CE LYS A 26 -42.616 6.718 0.759 1.00 0.00 C ATOM 410 NZ LYS A 26 -43.206 6.906 -0.586 1.00 0.00 N ATOM 0 H LYS A 26 -45.306 10.179 3.382 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.623 10.054 0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.884 8.723 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.058 8.805 2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.531 6.827 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.535 6.786 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.252 6.150 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.918 5.150 1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.225 7.667 1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -41.774 6.028 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -42.556 6.531 -1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -44.113 6.400 -0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -43.364 7.920 -0.757 1.00 0.00 H new ATOM 424 N ASN A 27 -47.849 8.256 2.178 1.00 0.00 N ATOM 425 CA ASN A 27 -49.071 7.493 1.984 1.00 0.00 C ATOM 426 C ASN A 27 -50.073 7.855 3.081 1.00 0.00 C ATOM 427 O ASN A 27 -50.530 6.984 3.820 1.00 0.00 O ATOM 428 CB ASN A 27 -48.801 5.990 2.066 1.00 0.00 C ATOM 429 CG ASN A 27 -47.567 5.700 2.923 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.547 6.354 4.082 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.691 4.934 2.558 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.651 8.504 3.147 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.466 7.734 0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.669 5.484 2.489 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.654 5.588 1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.768 4.464 1.656 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.882 4.763 3.155 1.00 0.00 H new ATOM 438 N CYS A 28 -50.385 9.140 3.153 1.00 0.00 N ATOM 439 CA CYS A 28 -51.326 9.628 4.148 1.00 0.00 C ATOM 440 C CYS A 28 -52.730 9.175 3.744 1.00 0.00 C ATOM 441 O CYS A 28 -53.056 9.133 2.559 1.00 0.00 O ATOM 442 CB CYS A 28 -51.241 11.146 4.310 1.00 0.00 C ATOM 443 SG CYS A 28 -52.341 11.692 5.667 1.00 0.00 S ATOM 0 H CYS A 28 -50.003 9.859 2.539 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.077 9.210 5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.213 11.440 4.523 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.527 11.636 3.379 1.00 0.00 H new ATOM 0 HG CYS A 28 -51.624 12.041 6.694 1.00 0.00 H new ATOM 448 N ARG A 29 -53.524 8.845 4.752 1.00 0.00 N ATOM 449 CA ARG A 29 -54.886 8.397 4.517 1.00 0.00 C ATOM 450 C ARG A 29 -55.882 9.479 4.940 1.00 0.00 C ATOM 451 O ARG A 29 -57.008 9.173 5.329 1.00 0.00 O ATOM 452 CB ARG A 29 -55.183 7.110 5.289 1.00 0.00 C ATOM 453 CG ARG A 29 -55.855 6.072 4.389 1.00 0.00 C ATOM 454 CD ARG A 29 -57.056 5.434 5.088 1.00 0.00 C ATOM 455 NE ARG A 29 -58.198 6.375 5.097 1.00 0.00 N ATOM 456 CZ ARG A 29 -59.077 6.499 4.093 1.00 0.00 C ATOM 457 NH1 ARG A 29 -58.952 5.741 2.996 1.00 0.00 N ATOM 458 NH2 ARG A 29 -60.082 7.381 4.188 1.00 0.00 N ATOM 0 H ARG A 29 -53.250 8.879 5.734 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.991 8.200 3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.256 6.701 5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -55.829 7.332 6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -56.179 6.545 3.462 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.135 5.300 4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -57.337 4.513 4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -56.790 5.163 6.110 1.00 0.00 H new ATOM 0 HE ARG A 29 -58.324 6.966 5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -58.188 5.069 2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -59.621 5.835 2.232 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -60.177 7.957 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -60.751 7.476 3.424 1.00 0.00 H new ATOM 472 N ALA A 30 -55.429 10.721 4.852 1.00 0.00 N ATOM 473 CA ALA A 30 -56.267 11.850 5.220 1.00 0.00 C ATOM 474 C ALA A 30 -57.429 11.963 4.232 1.00 0.00 C ATOM 475 O ALA A 30 -57.222 12.265 3.057 1.00 0.00 O ATOM 476 CB ALA A 30 -55.417 13.121 5.269 1.00 0.00 C ATOM 0 H ALA A 30 -54.493 10.970 4.532 1.00 0.00 H new ATOM 0 HA ALA A 30 -56.693 11.704 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -56.045 13.968 5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.625 13.001 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.975 13.301 4.289 1.00 0.00 H new ATOM 482 N PRO A 31 -58.657 11.707 4.756 1.00 0.00 N ATOM 483 CA PRO A 31 -59.852 11.776 3.933 1.00 0.00 C ATOM 484 C PRO A 31 -60.238 13.230 3.648 1.00 0.00 C ATOM 485 O PRO A 31 -61.386 13.621 3.851 1.00 0.00 O ATOM 486 CB PRO A 31 -60.914 11.022 4.716 1.00 0.00 C ATOM 487 CG PRO A 31 -60.410 10.960 6.149 1.00 0.00 C ATOM 488 CD PRO A 31 -58.940 11.346 6.143 1.00 0.00 C ATOM 0 HA PRO A 31 -59.711 11.330 2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.875 11.533 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -61.062 10.021 4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -60.980 11.638 6.784 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.540 9.957 6.556 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -58.747 12.181 6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.312 10.518 6.473 1.00 0.00 H new ATOM 496 N ARG A 32 -59.257 13.989 3.183 1.00 0.00 N ATOM 497 CA ARG A 32 -59.480 15.390 2.869 1.00 0.00 C ATOM 498 C ARG A 32 -59.982 15.537 1.431 1.00 0.00 C ATOM 499 O ARG A 32 -60.146 14.546 0.722 1.00 0.00 O ATOM 500 CB ARG A 32 -58.195 16.203 3.040 1.00 0.00 C ATOM 501 CG ARG A 32 -57.211 15.918 1.904 1.00 0.00 C ATOM 502 CD ARG A 32 -55.823 15.579 2.452 1.00 0.00 C ATOM 503 NE ARG A 32 -54.778 16.076 1.528 1.00 0.00 N ATOM 504 CZ ARG A 32 -53.536 15.577 1.462 1.00 0.00 C ATOM 505 NH1 ARG A 32 -53.176 14.566 2.264 1.00 0.00 N ATOM 506 NH2 ARG A 32 -52.654 16.090 0.594 1.00 0.00 N ATOM 0 H ARG A 32 -58.306 13.660 3.016 1.00 0.00 H new ATOM 0 HA ARG A 32 -60.232 15.771 3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -58.433 17.266 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -57.732 15.961 3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -57.579 15.090 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -57.145 16.787 1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -55.692 16.028 3.437 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -55.726 14.501 2.577 1.00 0.00 H new ATOM 0 HE ARG A 32 -55.018 16.846 0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -53.847 14.176 2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -52.231 14.187 2.213 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -52.928 16.860 -0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -51.709 15.711 0.543 1.00 0.00 H new ATOM 520 N LYS A 33 -60.212 16.783 1.044 1.00 0.00 N ATOM 521 CA LYS A 33 -60.692 17.075 -0.296 1.00 0.00 C ATOM 522 C LYS A 33 -59.955 18.298 -0.843 1.00 0.00 C ATOM 523 O LYS A 33 -60.578 19.219 -1.369 1.00 0.00 O ATOM 524 CB LYS A 33 -62.215 17.222 -0.299 1.00 0.00 C ATOM 525 CG LYS A 33 -62.649 18.448 0.506 1.00 0.00 C ATOM 526 CD LYS A 33 -63.548 19.362 -0.330 1.00 0.00 C ATOM 527 CE LYS A 33 -65.019 18.968 -0.181 1.00 0.00 C ATOM 528 NZ LYS A 33 -65.853 20.164 0.071 1.00 0.00 N ATOM 0 H LYS A 33 -60.075 17.603 1.636 1.00 0.00 H new ATOM 0 HA LYS A 33 -60.473 16.245 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -62.573 17.310 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -62.671 16.326 0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -63.181 18.129 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -61.770 19.000 0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -63.411 20.397 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -63.257 19.305 -1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -65.360 18.464 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -65.131 18.260 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -66.848 19.879 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -65.538 20.629 0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -65.760 20.826 -0.726 1.00 0.00 H new ATOM 542 N LYS A 34 -58.638 18.268 -0.701 1.00 0.00 N ATOM 543 CA LYS A 34 -57.809 19.364 -1.173 1.00 0.00 C ATOM 544 C LYS A 34 -58.039 20.590 -0.288 1.00 0.00 C ATOM 545 O LYS A 34 -59.129 21.159 -0.279 1.00 0.00 O ATOM 546 CB LYS A 34 -58.061 19.623 -2.661 1.00 0.00 C ATOM 547 CG LYS A 34 -56.998 18.941 -3.524 1.00 0.00 C ATOM 548 CD LYS A 34 -57.587 18.482 -4.860 1.00 0.00 C ATOM 549 CE LYS A 34 -56.532 18.524 -5.967 1.00 0.00 C ATOM 550 NZ LYS A 34 -55.707 17.296 -5.944 1.00 0.00 N ATOM 0 H LYS A 34 -58.124 17.502 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 34 -56.753 19.106 -1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -59.049 19.254 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -58.057 20.696 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -56.173 19.631 -3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -56.586 18.084 -2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -57.976 17.468 -4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -58.428 19.121 -5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -57.018 18.624 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -55.895 19.399 -5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -54.996 17.341 -6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -55.228 17.217 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -56.316 16.466 -6.090 1.00 0.00 H new ATOM 564 N GLY A 35 -56.992 20.963 0.434 1.00 0.00 N ATOM 565 CA GLY A 35 -57.065 22.112 1.320 1.00 0.00 C ATOM 566 C GLY A 35 -55.668 22.568 1.743 1.00 0.00 C ATOM 567 O GLY A 35 -54.737 21.765 1.792 1.00 0.00 O ATOM 0 H GLY A 35 -56.089 20.490 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.582 22.930 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.651 21.858 2.203 1.00 0.00 H new ATOM 571 N CYS A 36 -55.564 23.856 2.038 1.00 0.00 N ATOM 572 CA CYS A 36 -54.296 24.429 2.455 1.00 0.00 C ATOM 573 C CYS A 36 -53.978 23.919 3.862 1.00 0.00 C ATOM 574 O CYS A 36 -54.588 24.355 4.836 1.00 0.00 O ATOM 575 CB CYS A 36 -54.318 25.958 2.392 1.00 0.00 C ATOM 576 SG CYS A 36 -52.672 26.625 2.833 1.00 0.00 S ATOM 0 H CYS A 36 -56.338 24.519 1.996 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.509 24.115 1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.596 26.285 1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.073 26.348 3.075 1.00 0.00 H new ATOM 0 HG CYS A 36 -52.551 27.830 2.360 1.00 0.00 H new ATOM 581 N TRP A 37 -53.023 23.003 3.923 1.00 0.00 N ATOM 582 CA TRP A 37 -52.617 22.428 5.195 1.00 0.00 C ATOM 583 C TRP A 37 -51.510 23.309 5.778 1.00 0.00 C ATOM 584 O TRP A 37 -50.811 22.902 6.706 1.00 0.00 O ATOM 585 CB TRP A 37 -52.193 20.969 5.026 1.00 0.00 C ATOM 586 CG TRP A 37 -50.720 20.707 5.345 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.209 19.956 6.330 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.579 21.230 4.631 1.00 0.00 C ATOM 589 NE1 TRP A 37 -48.830 19.956 6.304 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.434 20.756 5.239 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.518 22.076 3.511 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.144 21.073 4.795 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.222 22.384 3.080 1.00 0.00 C ATOM 594 CH2 TRP A 37 -47.059 21.915 3.681 1.00 0.00 C ATOM 0 H TRP A 37 -52.518 22.644 3.112 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.452 22.408 5.895 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -52.810 20.345 5.672 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.392 20.660 4.000 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -50.803 19.418 7.054 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.214 19.460 6.948 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.401 22.459 3.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.262 20.688 5.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.118 23.031 2.221 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.094 22.200 3.289 1.00 0.00 H new ATOM 605 N LYS A 38 -51.384 24.499 5.210 1.00 0.00 N ATOM 606 CA LYS A 38 -50.373 25.440 5.663 1.00 0.00 C ATOM 607 C LYS A 38 -51.035 26.517 6.525 1.00 0.00 C ATOM 608 O LYS A 38 -50.435 27.009 7.480 1.00 0.00 O ATOM 609 CB LYS A 38 -49.591 26.001 4.473 1.00 0.00 C ATOM 610 CG LYS A 38 -48.453 26.908 4.944 1.00 0.00 C ATOM 611 CD LYS A 38 -47.137 26.134 5.036 1.00 0.00 C ATOM 612 CE LYS A 38 -45.997 26.908 4.372 1.00 0.00 C ATOM 613 NZ LYS A 38 -44.696 26.258 4.652 1.00 0.00 N ATOM 0 H LYS A 38 -51.964 24.833 4.441 1.00 0.00 H new ATOM 0 HA LYS A 38 -49.637 24.936 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.186 25.181 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.263 26.562 3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.340 27.744 4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -48.699 27.330 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -46.893 25.947 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -47.249 25.162 4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -46.161 26.957 3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -45.984 27.934 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -43.933 26.796 4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -44.534 26.234 5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -44.706 25.287 4.280 1.00 0.00 H new ATOM 627 N CYS A 39 -52.264 26.852 6.159 1.00 0.00 N ATOM 628 CA CYS A 39 -53.013 27.861 6.886 1.00 0.00 C ATOM 629 C CYS A 39 -54.163 27.169 7.621 1.00 0.00 C ATOM 630 O CYS A 39 -54.413 27.447 8.792 1.00 0.00 O ATOM 631 CB CYS A 39 -53.514 28.972 5.961 1.00 0.00 C ATOM 632 SG CYS A 39 -54.656 28.278 4.711 1.00 0.00 S ATOM 0 H CYS A 39 -52.759 26.441 5.367 1.00 0.00 H new ATOM 0 HA CYS A 39 -52.361 28.349 7.610 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -54.023 29.740 6.544 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -52.670 29.453 5.467 1.00 0.00 H new ATOM 0 HG CYS A 39 -53.971 27.672 3.787 1.00 0.00 H new ATOM 637 N GLY A 40 -54.832 26.280 6.901 1.00 0.00 N ATOM 638 CA GLY A 40 -55.949 25.546 7.469 1.00 0.00 C ATOM 639 C GLY A 40 -57.259 25.909 6.765 1.00 0.00 C ATOM 640 O GLY A 40 -58.328 25.862 7.373 1.00 0.00 O ATOM 0 H GLY A 40 -54.621 26.052 5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -55.768 24.475 7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.031 25.767 8.533 1.00 0.00 H new ATOM 644 N LYS A 41 -57.132 26.262 5.495 1.00 0.00 N ATOM 645 CA LYS A 41 -58.293 26.633 4.703 1.00 0.00 C ATOM 646 C LYS A 41 -58.414 25.684 3.509 1.00 0.00 C ATOM 647 O LYS A 41 -57.540 25.653 2.644 1.00 0.00 O ATOM 648 CB LYS A 41 -58.222 28.110 4.309 1.00 0.00 C ATOM 649 CG LYS A 41 -59.163 28.953 5.172 1.00 0.00 C ATOM 650 CD LYS A 41 -58.613 29.112 6.590 1.00 0.00 C ATOM 651 CE LYS A 41 -59.711 28.893 7.633 1.00 0.00 C ATOM 652 NZ LYS A 41 -59.865 30.096 8.482 1.00 0.00 N ATOM 0 H LYS A 41 -56.244 26.299 4.995 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.205 26.526 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.200 28.471 4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.488 28.223 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -59.297 29.935 4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -60.146 28.483 5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -57.805 28.399 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -58.187 30.108 6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -60.654 28.668 7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -59.465 28.031 8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -60.614 29.931 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -58.969 30.293 8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -60.121 30.910 7.887 1.00 0.00 H new ATOM 666 N GLU A 42 -59.504 24.932 3.501 1.00 0.00 N ATOM 667 CA GLU A 42 -59.752 23.985 2.428 1.00 0.00 C ATOM 668 C GLU A 42 -60.153 24.722 1.150 1.00 0.00 C ATOM 669 O GLU A 42 -60.622 25.858 1.205 1.00 0.00 O ATOM 670 CB GLU A 42 -60.820 22.966 2.832 1.00 0.00 C ATOM 671 CG GLU A 42 -62.175 23.646 3.039 1.00 0.00 C ATOM 672 CD GLU A 42 -62.559 23.662 4.520 1.00 0.00 C ATOM 673 OE1 GLU A 42 -61.625 23.743 5.347 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.778 23.595 4.791 1.00 0.00 O ATOM 0 H GLU A 42 -60.226 24.959 4.221 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.830 23.438 2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.907 22.200 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.518 22.462 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.136 24.667 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -62.940 23.122 2.467 1.00 0.00 H new ATOM 681 N GLY A 43 -59.954 24.047 0.027 1.00 0.00 N ATOM 682 CA GLY A 43 -60.290 24.625 -1.263 1.00 0.00 C ATOM 683 C GLY A 43 -59.025 24.951 -2.063 1.00 0.00 C ATOM 684 O GLY A 43 -59.037 24.915 -3.291 1.00 0.00 O ATOM 0 H GLY A 43 -59.564 23.105 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -60.912 23.930 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -60.877 25.532 -1.118 1.00 0.00 H new ATOM 688 N HIS A 44 -57.966 25.266 -1.331 1.00 0.00 N ATOM 689 CA HIS A 44 -56.698 25.598 -1.957 1.00 0.00 C ATOM 690 C HIS A 44 -55.571 24.818 -1.278 1.00 0.00 C ATOM 691 O HIS A 44 -55.824 23.974 -0.420 1.00 0.00 O ATOM 692 CB HIS A 44 -56.466 27.111 -1.940 1.00 0.00 C ATOM 693 CG HIS A 44 -56.048 27.654 -0.594 1.00 0.00 C ATOM 694 ND1 HIS A 44 -56.912 27.731 0.484 1.00 0.00 N ATOM 695 CD2 HIS A 44 -54.850 28.144 -0.163 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.255 28.247 1.511 1.00 0.00 C ATOM 697 NE2 HIS A 44 -54.977 28.503 1.108 1.00 0.00 N ATOM 0 H HIS A 44 -57.960 25.298 -0.312 1.00 0.00 H new ATOM 0 HA HIS A 44 -56.716 25.302 -3.006 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -55.699 27.359 -2.674 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.382 27.612 -2.254 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -57.889 27.440 0.487 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -53.951 28.226 -0.756 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -56.660 28.433 2.495 1.00 0.00 H new ATOM 705 N GLN A 45 -54.349 25.129 -1.687 1.00 0.00 N ATOM 706 CA GLN A 45 -53.182 24.467 -1.129 1.00 0.00 C ATOM 707 C GLN A 45 -52.130 25.500 -0.723 1.00 0.00 C ATOM 708 O GLN A 45 -52.244 26.676 -1.066 1.00 0.00 O ATOM 709 CB GLN A 45 -52.602 23.453 -2.118 1.00 0.00 C ATOM 710 CG GLN A 45 -51.841 24.158 -3.244 1.00 0.00 C ATOM 711 CD GLN A 45 -50.469 23.518 -3.462 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.698 23.313 -2.539 1.00 0.00 O ATOM 713 NE2 GLN A 45 -50.209 23.216 -4.730 1.00 0.00 N ATOM 0 H GLN A 45 -54.142 25.830 -2.398 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.490 23.921 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.933 22.770 -1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -53.406 22.850 -2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -52.420 24.108 -4.166 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -51.719 25.213 -3.000 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -50.900 23.415 -5.454 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -49.319 22.785 -4.979 1.00 0.00 H new ATOM 722 N MET A 46 -51.128 25.024 0.003 1.00 0.00 N ATOM 723 CA MET A 46 -50.057 25.892 0.460 1.00 0.00 C ATOM 724 C MET A 46 -49.435 26.658 -0.710 1.00 0.00 C ATOM 725 O MET A 46 -49.137 27.846 -0.590 1.00 0.00 O ATOM 726 CB MET A 46 -48.980 25.054 1.151 1.00 0.00 C ATOM 727 CG MET A 46 -47.813 25.930 1.612 1.00 0.00 C ATOM 728 SD MET A 46 -46.486 25.857 0.420 1.00 0.00 S ATOM 729 CE MET A 46 -45.781 24.271 0.839 1.00 0.00 C ATOM 0 H MET A 46 -51.036 24.048 0.286 1.00 0.00 H new ATOM 0 HA MET A 46 -50.474 26.614 1.162 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.411 24.537 2.008 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.616 24.288 0.466 1.00 0.00 H new ATOM 0 HG2 MET A 46 -48.147 26.960 1.734 1.00 0.00 H new ATOM 0 HG3 MET A 46 -47.457 25.593 2.586 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.787 24.187 0.399 1.00 0.00 H new ATOM 0 HE2 MET A 46 -45.707 24.180 1.923 1.00 0.00 H new ATOM 0 HE3 MET A 46 -46.418 23.476 0.451 1.00 0.00 H new ATOM 739 N LYS A 47 -49.259 25.948 -1.813 1.00 0.00 N ATOM 740 CA LYS A 47 -48.678 26.546 -3.003 1.00 0.00 C ATOM 741 C LYS A 47 -49.470 27.801 -3.376 1.00 0.00 C ATOM 742 O LYS A 47 -48.924 28.731 -3.968 1.00 0.00 O ATOM 743 CB LYS A 47 -48.589 25.517 -4.132 1.00 0.00 C ATOM 744 CG LYS A 47 -47.547 25.932 -5.173 1.00 0.00 C ATOM 745 CD LYS A 47 -46.243 25.157 -4.982 1.00 0.00 C ATOM 746 CE LYS A 47 -46.336 23.763 -5.605 1.00 0.00 C ATOM 747 NZ LYS A 47 -45.174 22.939 -5.207 1.00 0.00 N ATOM 0 H LYS A 47 -49.508 24.964 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.653 26.861 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -48.328 24.542 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -49.563 25.411 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -47.937 25.753 -6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -47.354 27.002 -5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -45.419 25.708 -5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -46.020 25.070 -3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -47.259 23.278 -5.288 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -46.376 23.846 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -45.253 21.996 -5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -44.297 23.396 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -45.153 22.845 -4.171 1.00 0.00 H new ATOM 761 N ASP A 48 -50.745 27.787 -3.015 1.00 0.00 N ATOM 762 CA ASP A 48 -51.617 28.912 -3.304 1.00 0.00 C ATOM 763 C ASP A 48 -52.250 29.410 -2.003 1.00 0.00 C ATOM 764 O ASP A 48 -53.366 29.923 -2.008 1.00 0.00 O ATOM 765 CB ASP A 48 -52.747 28.504 -4.253 1.00 0.00 C ATOM 766 CG ASP A 48 -52.921 29.407 -5.476 1.00 0.00 C ATOM 767 OD1 ASP A 48 -53.137 30.619 -5.260 1.00 0.00 O ATOM 768 OD2 ASP A 48 -52.836 28.864 -6.598 1.00 0.00 O ATOM 0 H ASP A 48 -51.195 27.014 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 48 -51.016 29.692 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -52.564 27.485 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.683 28.489 -3.695 1.00 0.00 H new ATOM 773 N CYS A 49 -51.507 29.238 -0.919 1.00 0.00 N ATOM 774 CA CYS A 49 -51.981 29.663 0.387 1.00 0.00 C ATOM 775 C CYS A 49 -52.505 31.095 0.265 1.00 0.00 C ATOM 776 O CYS A 49 -51.930 31.911 -0.453 1.00 0.00 O ATOM 777 CB CYS A 49 -50.889 29.544 1.452 1.00 0.00 C ATOM 778 SG CYS A 49 -51.611 29.772 3.118 1.00 0.00 S ATOM 0 H CYS A 49 -50.581 28.810 -0.919 1.00 0.00 H new ATOM 0 HA CYS A 49 -52.788 29.008 0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -50.409 28.567 1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.116 30.292 1.277 1.00 0.00 H new ATOM 0 HG CYS A 49 -51.866 28.610 3.643 1.00 0.00 H new ATOM 783 N THR A 50 -53.590 31.358 0.979 1.00 0.00 N ATOM 784 CA THR A 50 -54.198 32.678 0.961 1.00 0.00 C ATOM 785 C THR A 50 -54.399 33.192 2.387 1.00 0.00 C ATOM 786 O THR A 50 -54.951 34.274 2.589 1.00 0.00 O ATOM 787 CB THR A 50 -55.498 32.588 0.158 1.00 0.00 C ATOM 788 OG1 THR A 50 -55.928 33.941 0.044 1.00 0.00 O ATOM 789 CG2 THR A 50 -56.621 31.903 0.938 1.00 0.00 C ATOM 0 H THR A 50 -54.064 30.679 1.574 1.00 0.00 H new ATOM 0 HA THR A 50 -53.549 33.406 0.476 1.00 0.00 H new ATOM 0 HB THR A 50 -55.317 32.044 -0.769 1.00 0.00 H new ATOM 0 HG1 THR A 50 -55.675 34.434 0.852 1.00 0.00 H new ATOM 0 HG21 THR A 50 -57.520 31.865 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 50 -56.317 30.889 1.199 1.00 0.00 H new ATOM 0 HG23 THR A 50 -56.827 32.466 1.848 1.00 0.00 H new ATOM 797 N GLU A 51 -53.941 32.394 3.341 1.00 0.00 N ATOM 798 CA GLU A 51 -54.063 32.756 4.743 1.00 0.00 C ATOM 799 C GLU A 51 -55.403 33.451 4.996 1.00 0.00 C ATOM 800 O GLU A 51 -55.443 34.649 5.272 1.00 0.00 O ATOM 801 CB GLU A 51 -52.896 33.639 5.185 1.00 0.00 C ATOM 802 CG GLU A 51 -52.064 32.948 6.267 1.00 0.00 C ATOM 803 CD GLU A 51 -51.268 33.967 7.083 1.00 0.00 C ATOM 804 OE1 GLU A 51 -51.895 34.955 7.523 1.00 0.00 O ATOM 805 OE2 GLU A 51 -50.051 33.736 7.250 1.00 0.00 O ATOM 0 H GLU A 51 -53.485 31.498 3.170 1.00 0.00 H new ATOM 0 HA GLU A 51 -54.030 31.843 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -52.264 33.869 4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -53.276 34.587 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -52.720 32.381 6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -51.382 32.234 5.805 1.00 0.00 H new