USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=11 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 -146:sc= -0.0261 USER MOD Set 1.2: A 39 CYS SG : rot -42:sc= -3.28! USER MOD Set 1.3: A 44 HIS :FLIP no HE2:sc= -6.1! C(o=-11!,f=-9.4!) USER MOD Set 1.4: A 49 CYS SG : rot -160:sc= 0.0563 USER MOD Set 2.1: A 15 CYS SG : rot 111:sc= -0.31 USER MOD Set 2.2: A 18 CYS SG : rot -76:sc= -1.35 USER MOD Set 2.3: A 23 HIS : no HD1:sc= -3.45! C(o=-5.5!,f=-11!) USER MOD Set 2.4: A 28 CYS SG : rot 102:sc= -0.389 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= -0.0665 X(o=-0.067,f=-0.11) USER MOD Single : A 9 GLN : amide:sc= -4.73! C(o=-4.7!,f=-7.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.364 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0538 X(o=-0.054,f=-0.12) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= -0.129 (180deg=-0.575) USER MOD Single : A 27 ASN :FLIP amide:sc= -3.85! C(o=-6!,f=-3.9!) 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= -5.28! C(o=-5.3!,f=-10!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -58:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -31.255 8.968 5.928 1.00 0.00 N ATOM 19 CA GLN A 2 -32.518 9.670 5.778 1.00 0.00 C ATOM 20 C GLN A 2 -33.658 8.672 5.566 1.00 0.00 C ATOM 21 O GLN A 2 -34.607 8.634 6.349 1.00 0.00 O ATOM 22 CB GLN A 2 -32.451 10.678 4.628 1.00 0.00 C ATOM 23 CG GLN A 2 -33.147 11.987 5.006 1.00 0.00 C ATOM 24 CD GLN A 2 -32.792 13.101 4.018 1.00 0.00 C ATOM 25 OE1 GLN A 2 -32.993 12.991 2.820 1.00 0.00 O ATOM 26 NE2 GLN A 2 -32.255 14.176 4.587 1.00 0.00 N ATOM 0 HA GLN A 2 -32.714 10.226 6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -31.410 10.876 4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -32.922 10.255 3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -34.227 11.838 5.020 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -32.853 12.282 6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -32.114 14.202 5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -31.984 14.975 4.014 1.00 0.00 H new ATOM 35 N LYS A 3 -33.528 7.889 4.505 1.00 0.00 N ATOM 36 CA LYS A 3 -34.536 6.894 4.181 1.00 0.00 C ATOM 37 C LYS A 3 -34.665 5.909 5.345 1.00 0.00 C ATOM 38 O LYS A 3 -35.774 5.541 5.732 1.00 0.00 O ATOM 39 CB LYS A 3 -34.218 6.226 2.842 1.00 0.00 C ATOM 40 CG LYS A 3 -32.895 5.463 2.911 1.00 0.00 C ATOM 41 CD LYS A 3 -32.653 4.667 1.626 1.00 0.00 C ATOM 42 CE LYS A 3 -33.011 3.192 1.821 1.00 0.00 C ATOM 43 NZ LYS A 3 -31.924 2.483 2.531 1.00 0.00 N ATOM 0 H LYS A 3 -32.740 7.924 3.859 1.00 0.00 H new ATOM 0 HA LYS A 3 -35.510 7.365 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -35.023 5.542 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -34.166 6.981 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -32.075 6.163 3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -32.905 4.786 3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -33.250 5.086 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -31.608 4.756 1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -33.938 3.109 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -33.187 2.723 0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -32.184 1.484 2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.047 2.546 1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.775 2.920 3.463 1.00 0.00 H new ATOM 57 N GLY A 4 -33.517 5.509 5.870 1.00 0.00 N ATOM 58 CA GLY A 4 -33.487 4.573 6.981 1.00 0.00 C ATOM 59 C GLY A 4 -34.256 5.126 8.183 1.00 0.00 C ATOM 60 O GLY A 4 -34.660 4.370 9.066 1.00 0.00 O ATOM 0 H GLY A 4 -32.600 5.816 5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.922 3.622 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.454 4.374 7.266 1.00 0.00 H new ATOM 64 N ASN A 5 -34.435 6.438 8.179 1.00 0.00 N ATOM 65 CA ASN A 5 -35.147 7.101 9.258 1.00 0.00 C ATOM 66 C ASN A 5 -36.591 6.595 9.296 1.00 0.00 C ATOM 67 O ASN A 5 -37.163 6.421 10.370 1.00 0.00 O ATOM 68 CB ASN A 5 -35.183 8.616 9.046 1.00 0.00 C ATOM 69 CG ASN A 5 -35.263 9.354 10.383 1.00 0.00 C ATOM 70 OD1 ASN A 5 -36.324 9.740 10.846 1.00 0.00 O ATOM 71 ND2 ASN A 5 -34.085 9.529 10.977 1.00 0.00 N ATOM 0 H ASN A 5 -34.099 7.061 7.445 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.628 6.880 10.190 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -34.291 8.932 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -36.042 8.880 8.429 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -34.033 10.011 11.874 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -33.234 9.181 10.535 1.00 0.00 H new ATOM 78 N PHE A 6 -37.138 6.373 8.110 1.00 0.00 N ATOM 79 CA PHE A 6 -38.504 5.890 7.994 1.00 0.00 C ATOM 80 C PHE A 6 -38.667 4.536 8.686 1.00 0.00 C ATOM 81 O PHE A 6 -39.787 4.087 8.924 1.00 0.00 O ATOM 82 CB PHE A 6 -38.795 5.727 6.501 1.00 0.00 C ATOM 83 CG PHE A 6 -40.227 5.285 6.191 1.00 0.00 C ATOM 84 CD1 PHE A 6 -41.232 5.582 7.058 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.494 4.597 5.049 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.561 5.173 6.771 1.00 0.00 C ATOM 87 CE2 PHE A 6 -41.824 4.188 4.762 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.829 4.485 5.629 1.00 0.00 C ATOM 0 H PHE A 6 -36.660 6.519 7.221 1.00 0.00 H new ATOM 0 HA PHE A 6 -39.189 6.593 8.467 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.601 6.674 5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -38.102 4.997 6.084 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -41.019 6.129 7.965 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -39.696 4.362 4.361 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -43.359 5.408 7.460 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -42.037 3.641 3.855 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.840 4.174 5.410 1.00 0.00 H new ATOM 98 N ARG A 7 -37.532 3.921 8.988 1.00 0.00 N ATOM 99 CA ARG A 7 -37.535 2.626 9.647 1.00 0.00 C ATOM 100 C ARG A 7 -38.257 2.717 10.993 1.00 0.00 C ATOM 101 O ARG A 7 -38.617 1.696 11.579 1.00 0.00 O ATOM 102 CB ARG A 7 -36.109 2.120 9.874 1.00 0.00 C ATOM 103 CG ARG A 7 -35.404 1.854 8.542 1.00 0.00 C ATOM 104 CD ARG A 7 -35.959 0.598 7.868 1.00 0.00 C ATOM 105 NE ARG A 7 -36.100 0.824 6.412 1.00 0.00 N ATOM 106 CZ ARG A 7 -35.092 0.726 5.536 1.00 0.00 C ATOM 107 NH1 ARG A 7 -33.863 0.405 5.961 1.00 0.00 N ATOM 108 NH2 ARG A 7 -35.313 0.950 4.233 1.00 0.00 N ATOM 0 H ARG A 7 -36.605 4.296 8.788 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.058 1.925 8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.545 2.856 10.448 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -36.134 1.205 10.466 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.532 2.712 7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -34.333 1.738 8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.294 -0.246 8.050 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -36.926 0.341 8.300 1.00 0.00 H new ATOM 0 HE ARG A 7 -37.023 1.070 6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -33.694 0.235 6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -33.096 0.331 5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -36.249 1.195 3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -34.545 0.875 3.565 1.00 0.00 H new ATOM 122 N ASN A 8 -38.448 3.948 11.443 1.00 0.00 N ATOM 123 CA ASN A 8 -39.120 4.185 12.710 1.00 0.00 C ATOM 124 C ASN A 8 -40.528 3.592 12.654 1.00 0.00 C ATOM 125 O ASN A 8 -41.169 3.406 13.687 1.00 0.00 O ATOM 126 CB ASN A 8 -39.250 5.684 12.992 1.00 0.00 C ATOM 127 CG ASN A 8 -39.413 5.947 14.490 1.00 0.00 C ATOM 128 OD1 ASN A 8 -38.469 6.261 15.197 1.00 0.00 O ATOM 129 ND2 ASN A 8 -40.658 5.803 14.932 1.00 0.00 N ATOM 0 H ASN A 8 -38.150 4.792 10.954 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.528 3.719 13.498 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -38.367 6.205 12.621 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -40.108 6.086 12.453 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -40.870 5.957 15.918 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -41.401 5.538 14.286 1.00 0.00 H new ATOM 136 N GLN A 9 -40.969 3.309 11.436 1.00 0.00 N ATOM 137 CA GLN A 9 -42.290 2.740 11.232 1.00 0.00 C ATOM 138 C GLN A 9 -42.437 1.439 12.025 1.00 0.00 C ATOM 139 O GLN A 9 -43.537 1.084 12.444 1.00 0.00 O ATOM 140 CB GLN A 9 -42.564 2.508 9.744 1.00 0.00 C ATOM 141 CG GLN A 9 -44.012 2.073 9.515 1.00 0.00 C ATOM 142 CD GLN A 9 -44.656 2.882 8.387 1.00 0.00 C ATOM 143 OE1 GLN A 9 -44.127 2.999 7.293 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.822 3.431 8.712 1.00 0.00 N ATOM 0 H GLN A 9 -40.434 3.463 10.581 1.00 0.00 H new ATOM 0 HA GLN A 9 -43.030 3.452 11.598 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.363 3.423 9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -41.886 1.745 9.360 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.042 1.012 9.269 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.584 2.204 10.433 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.208 3.293 9.646 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.331 3.990 8.027 1.00 0.00 H new ATOM 153 N ARG A 10 -41.310 0.766 12.208 1.00 0.00 N ATOM 154 CA ARG A 10 -41.299 -0.487 12.944 1.00 0.00 C ATOM 155 C ARG A 10 -41.888 -0.287 14.343 1.00 0.00 C ATOM 156 O ARG A 10 -42.393 -1.231 14.947 1.00 0.00 O ATOM 157 CB ARG A 10 -39.877 -1.038 13.071 1.00 0.00 C ATOM 158 CG ARG A 10 -39.891 -2.477 13.592 1.00 0.00 C ATOM 159 CD ARG A 10 -39.151 -2.583 14.927 1.00 0.00 C ATOM 160 NE ARG A 10 -39.956 -3.365 15.892 1.00 0.00 N ATOM 161 CZ ARG A 10 -39.934 -4.703 15.979 1.00 0.00 C ATOM 162 NH1 ARG A 10 -39.148 -5.415 15.160 1.00 0.00 N ATOM 163 NH2 ARG A 10 -40.699 -5.328 16.884 1.00 0.00 N ATOM 0 H ARG A 10 -40.399 1.065 11.860 1.00 0.00 H new ATOM 0 HA ARG A 10 -41.906 -1.203 12.390 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -39.382 -1.004 12.101 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -39.298 -0.408 13.747 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -40.921 -2.813 13.715 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -39.425 -3.137 12.860 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -38.182 -3.060 14.778 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -38.958 -1.587 15.325 1.00 0.00 H new ATOM 0 HE ARG A 10 -40.566 -2.854 16.531 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -38.566 -4.939 14.470 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -39.131 -6.433 15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -41.298 -4.786 17.507 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -40.682 -6.346 16.950 1.00 0.00 H new ATOM 177 N LYS A 11 -41.803 0.948 14.815 1.00 0.00 N ATOM 178 CA LYS A 11 -42.321 1.283 16.129 1.00 0.00 C ATOM 179 C LYS A 11 -43.254 2.491 16.012 1.00 0.00 C ATOM 180 O LYS A 11 -43.242 3.374 16.869 1.00 0.00 O ATOM 181 CB LYS A 11 -41.174 1.487 17.122 1.00 0.00 C ATOM 182 CG LYS A 11 -41.705 1.651 18.547 1.00 0.00 C ATOM 183 CD LYS A 11 -41.638 0.328 19.313 1.00 0.00 C ATOM 184 CE LYS A 11 -42.989 -0.008 19.948 1.00 0.00 C ATOM 185 NZ LYS A 11 -42.818 -0.363 21.374 1.00 0.00 N ATOM 0 H LYS A 11 -41.383 1.728 14.310 1.00 0.00 H new ATOM 0 HA LYS A 11 -42.913 0.458 16.526 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -40.495 0.635 17.079 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -40.598 2.369 16.841 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -41.122 2.409 19.071 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -42.735 2.006 18.516 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -41.341 -0.473 18.636 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -40.874 0.391 20.088 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -43.662 0.845 19.858 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -43.452 -0.838 19.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -43.745 -0.588 21.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -42.193 -1.190 21.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -42.396 0.440 21.883 1.00 0.00 H new ATOM 199 N THR A 12 -44.041 2.490 14.946 1.00 0.00 N ATOM 200 CA THR A 12 -44.978 3.574 14.706 1.00 0.00 C ATOM 201 C THR A 12 -44.247 4.797 14.151 1.00 0.00 C ATOM 202 O THR A 12 -43.317 5.306 14.775 1.00 0.00 O ATOM 203 CB THR A 12 -45.723 3.852 16.013 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.000 2.557 16.537 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.106 4.464 15.779 1.00 0.00 C ATOM 0 H THR A 12 -44.049 1.755 14.239 1.00 0.00 H new ATOM 0 HA THR A 12 -45.712 3.302 13.948 1.00 0.00 H new ATOM 0 HB THR A 12 -45.129 4.523 16.634 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.481 2.644 17.387 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.592 4.642 16.738 1.00 0.00 H new ATOM 0 HG22 THR A 12 -47.000 5.409 15.245 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.712 3.778 15.187 1.00 0.00 H new ATOM 213 N VAL A 13 -44.695 5.235 12.983 1.00 0.00 N ATOM 214 CA VAL A 13 -44.094 6.390 12.336 1.00 0.00 C ATOM 215 C VAL A 13 -44.876 7.647 12.721 1.00 0.00 C ATOM 216 O VAL A 13 -45.794 7.586 13.538 1.00 0.00 O ATOM 217 CB VAL A 13 -44.027 6.166 10.824 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.312 6.642 10.142 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.801 6.854 10.222 1.00 0.00 C ATOM 0 H VAL A 13 -45.467 4.811 12.468 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.068 6.529 12.676 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.931 5.095 10.648 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.238 6.472 9.068 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.162 6.088 10.540 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.452 7.706 10.332 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.777 6.679 9.146 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -42.854 7.926 10.414 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.897 6.448 10.676 1.00 0.00 H new ATOM 229 N LYS A 14 -44.483 8.758 12.115 1.00 0.00 N ATOM 230 CA LYS A 14 -45.136 10.028 12.383 1.00 0.00 C ATOM 231 C LYS A 14 -45.356 10.773 11.065 1.00 0.00 C ATOM 232 O LYS A 14 -44.401 11.072 10.349 1.00 0.00 O ATOM 233 CB LYS A 14 -44.343 10.829 13.417 1.00 0.00 C ATOM 234 CG LYS A 14 -45.031 12.161 13.723 1.00 0.00 C ATOM 235 CD LYS A 14 -45.260 12.327 15.227 1.00 0.00 C ATOM 236 CE LYS A 14 -44.023 12.918 15.908 1.00 0.00 C ATOM 237 NZ LYS A 14 -43.300 11.873 16.667 1.00 0.00 N ATOM 0 H LYS A 14 -43.720 8.805 11.439 1.00 0.00 H new ATOM 0 HA LYS A 14 -46.119 9.865 12.824 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -44.243 10.248 14.334 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -43.335 11.013 13.045 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -44.420 12.984 13.352 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -45.985 12.210 13.199 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -46.119 12.976 15.398 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -45.497 11.360 15.671 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -43.362 13.355 15.159 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -44.320 13.723 16.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -42.464 12.291 17.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -43.928 11.475 17.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -43.000 11.118 16.018 1.00 0.00 H new ATOM 251 N CYS A 15 -46.621 11.051 10.782 1.00 0.00 N ATOM 252 CA CYS A 15 -46.978 11.754 9.563 1.00 0.00 C ATOM 253 C CYS A 15 -46.686 13.242 9.763 1.00 0.00 C ATOM 254 O CYS A 15 -47.353 13.909 10.554 1.00 0.00 O ATOM 255 CB CYS A 15 -48.437 11.506 9.174 1.00 0.00 C ATOM 256 SG CYS A 15 -48.754 12.152 7.491 1.00 0.00 S ATOM 0 H CYS A 15 -47.411 10.801 11.377 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.380 11.376 8.734 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.655 10.439 9.210 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -49.100 11.991 9.890 1.00 0.00 H new ATOM 0 HG CYS A 15 -48.955 11.159 6.676 1.00 0.00 H new ATOM 261 N PHE A 16 -45.689 13.721 9.033 1.00 0.00 N ATOM 262 CA PHE A 16 -45.301 15.118 9.122 1.00 0.00 C ATOM 263 C PHE A 16 -46.183 15.990 8.226 1.00 0.00 C ATOM 264 O PHE A 16 -45.915 17.178 8.051 1.00 0.00 O ATOM 265 CB PHE A 16 -43.852 15.212 8.636 1.00 0.00 C ATOM 266 CG PHE A 16 -43.715 15.547 7.150 1.00 0.00 C ATOM 267 CD1 PHE A 16 -44.575 15.004 6.248 1.00 0.00 C ATOM 268 CD2 PHE A 16 -42.730 16.387 6.732 1.00 0.00 C ATOM 269 CE1 PHE A 16 -44.447 15.316 4.869 1.00 0.00 C ATOM 270 CE2 PHE A 16 -42.602 16.698 5.351 1.00 0.00 C ATOM 271 CZ PHE A 16 -43.464 16.156 4.450 1.00 0.00 C ATOM 0 H PHE A 16 -45.139 13.166 8.378 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.410 15.470 10.148 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.333 15.973 9.219 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.352 14.264 8.832 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -45.355 14.335 6.580 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -42.046 16.817 7.449 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -45.131 14.886 4.153 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -41.820 17.365 5.018 1.00 0.00 H new ATOM 0 HZ PHE A 16 -43.368 16.393 3.401 1.00 0.00 H new ATOM 281 N ASN A 17 -47.218 15.367 7.682 1.00 0.00 N ATOM 282 CA ASN A 17 -48.142 16.070 6.809 1.00 0.00 C ATOM 283 C ASN A 17 -49.424 16.390 7.581 1.00 0.00 C ATOM 284 O ASN A 17 -49.824 17.549 7.673 1.00 0.00 O ATOM 285 CB ASN A 17 -48.519 15.213 5.600 1.00 0.00 C ATOM 286 CG ASN A 17 -49.768 15.762 4.906 1.00 0.00 C ATOM 287 OD1 ASN A 17 -49.893 16.946 4.643 1.00 0.00 O ATOM 288 ND2 ASN A 17 -50.682 14.836 4.626 1.00 0.00 N ATOM 0 H ASN A 17 -47.437 14.382 7.829 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.653 16.982 6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.688 15.188 4.895 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.698 14.186 5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -51.551 15.101 4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.513 13.861 4.874 1.00 0.00 H new ATOM 295 N CYS A 18 -50.032 15.341 8.114 1.00 0.00 N ATOM 296 CA CYS A 18 -51.260 15.496 8.874 1.00 0.00 C ATOM 297 C CYS A 18 -50.895 15.659 10.350 1.00 0.00 C ATOM 298 O CYS A 18 -51.583 16.360 11.091 1.00 0.00 O ATOM 299 CB CYS A 18 -52.216 14.321 8.650 1.00 0.00 C ATOM 300 SG CYS A 18 -51.520 12.799 9.388 1.00 0.00 S ATOM 0 H CYS A 18 -49.697 14.381 8.035 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.792 16.384 8.532 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.186 14.541 9.096 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.382 14.175 7.583 1.00 0.00 H new ATOM 0 HG CYS A 18 -50.567 12.345 8.629 1.00 0.00 H new ATOM 305 N GLY A 19 -49.810 15.001 10.735 1.00 0.00 N ATOM 306 CA GLY A 19 -49.345 15.065 12.110 1.00 0.00 C ATOM 307 C GLY A 19 -49.558 13.728 12.824 1.00 0.00 C ATOM 308 O GLY A 19 -48.729 13.313 13.632 1.00 0.00 O ATOM 0 H GLY A 19 -49.240 14.421 10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -48.287 15.326 12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -49.877 15.854 12.641 1.00 0.00 H new ATOM 312 N LYS A 20 -50.674 13.092 12.499 1.00 0.00 N ATOM 313 CA LYS A 20 -51.007 11.811 13.099 1.00 0.00 C ATOM 314 C LYS A 20 -49.777 10.901 13.064 1.00 0.00 C ATOM 315 O LYS A 20 -48.772 11.236 12.441 1.00 0.00 O ATOM 316 CB LYS A 20 -52.239 11.206 12.423 1.00 0.00 C ATOM 317 CG LYS A 20 -53.345 10.933 13.443 1.00 0.00 C ATOM 318 CD LYS A 20 -54.141 12.204 13.744 1.00 0.00 C ATOM 319 CE LYS A 20 -54.077 12.551 15.233 1.00 0.00 C ATOM 320 NZ LYS A 20 -55.264 12.020 15.941 1.00 0.00 N ATOM 0 H LYS A 20 -51.359 13.440 11.828 1.00 0.00 H new ATOM 0 HA LYS A 20 -51.279 11.941 14.147 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.607 11.886 11.655 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -51.964 10.278 11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -54.015 10.163 13.061 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -52.908 10.547 14.364 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -53.746 13.033 13.156 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -55.180 12.067 13.443 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -53.169 12.135 15.671 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -54.025 13.633 15.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -55.204 12.264 16.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -56.126 12.436 15.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -55.297 10.986 15.837 1.00 0.00 H new ATOM 334 N GLU A 21 -49.899 9.769 13.742 1.00 0.00 N ATOM 335 CA GLU A 21 -48.809 8.809 13.796 1.00 0.00 C ATOM 336 C GLU A 21 -49.274 7.449 13.271 1.00 0.00 C ATOM 337 O GLU A 21 -50.473 7.178 13.215 1.00 0.00 O ATOM 338 CB GLU A 21 -48.255 8.688 15.217 1.00 0.00 C ATOM 339 CG GLU A 21 -49.304 8.107 16.167 1.00 0.00 C ATOM 340 CD GLU A 21 -49.839 9.180 17.116 1.00 0.00 C ATOM 341 OE1 GLU A 21 -50.046 10.314 16.631 1.00 0.00 O ATOM 342 OE2 GLU A 21 -50.030 8.843 18.304 1.00 0.00 O ATOM 0 H GLU A 21 -50.735 9.495 14.258 1.00 0.00 H new ATOM 0 HA GLU A 21 -48.002 9.167 13.156 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.370 8.051 15.213 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.940 9.669 15.573 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -50.127 7.683 15.591 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -48.866 7.292 16.744 1.00 0.00 H new ATOM 349 N GLY A 22 -48.302 6.630 12.899 1.00 0.00 N ATOM 350 CA GLY A 22 -48.596 5.305 12.382 1.00 0.00 C ATOM 351 C GLY A 22 -48.222 5.199 10.902 1.00 0.00 C ATOM 352 O GLY A 22 -47.844 4.128 10.429 1.00 0.00 O ATOM 0 H GLY A 22 -47.309 6.859 12.945 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.047 4.557 12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.657 5.088 12.509 1.00 0.00 H new ATOM 356 N HIS A 23 -48.338 6.324 10.213 1.00 0.00 N ATOM 357 CA HIS A 23 -48.016 6.372 8.797 1.00 0.00 C ATOM 358 C HIS A 23 -47.302 7.686 8.477 1.00 0.00 C ATOM 359 O HIS A 23 -47.176 8.554 9.339 1.00 0.00 O ATOM 360 CB HIS A 23 -49.271 6.156 7.947 1.00 0.00 C ATOM 361 CG HIS A 23 -50.220 7.330 7.943 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.382 7.357 8.694 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.166 8.517 7.273 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.993 8.513 8.479 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.238 9.229 7.596 1.00 0.00 N ATOM 0 H HIS A 23 -48.651 7.210 10.609 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.334 5.559 8.548 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -48.970 5.942 6.921 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.799 5.276 8.315 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.384 8.825 6.595 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -52.924 8.832 8.924 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -51.461 10.159 7.242 1.00 0.00 H new ATOM 373 N ILE A 24 -46.854 7.791 7.234 1.00 0.00 N ATOM 374 CA ILE A 24 -46.157 8.986 6.789 1.00 0.00 C ATOM 375 C ILE A 24 -46.957 9.651 5.668 1.00 0.00 C ATOM 376 O ILE A 24 -47.826 9.024 5.064 1.00 0.00 O ATOM 377 CB ILE A 24 -44.715 8.650 6.400 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.676 7.552 5.335 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.886 8.283 7.632 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.247 7.314 4.844 1.00 0.00 C ATOM 0 H ILE A 24 -46.960 7.069 6.522 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.085 9.710 7.601 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.263 9.540 5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.082 6.628 5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.311 7.833 4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.866 8.049 7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.874 9.124 8.326 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.327 7.415 8.122 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.248 6.529 4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.853 8.234 4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.620 7.010 5.682 1.00 0.00 H new ATOM 392 N ALA A 25 -46.636 10.913 5.423 1.00 0.00 N ATOM 393 CA ALA A 25 -47.314 11.671 4.385 1.00 0.00 C ATOM 394 C ALA A 25 -47.231 10.903 3.064 1.00 0.00 C ATOM 395 O ALA A 25 -48.185 10.896 2.286 1.00 0.00 O ATOM 396 CB ALA A 25 -46.698 13.067 4.287 1.00 0.00 C ATOM 0 H ALA A 25 -45.915 11.430 5.926 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.369 11.797 4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.207 13.635 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.808 13.581 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.640 12.981 4.041 1.00 0.00 H new ATOM 402 N LYS A 26 -46.084 10.275 2.851 1.00 0.00 N ATOM 403 CA LYS A 26 -45.866 9.507 1.637 1.00 0.00 C ATOM 404 C LYS A 26 -47.139 8.731 1.293 1.00 0.00 C ATOM 405 O LYS A 26 -47.404 8.454 0.125 1.00 0.00 O ATOM 406 CB LYS A 26 -44.626 8.622 1.779 1.00 0.00 C ATOM 407 CG LYS A 26 -44.981 7.146 1.589 1.00 0.00 C ATOM 408 CD LYS A 26 -43.722 6.299 1.400 1.00 0.00 C ATOM 409 CE LYS A 26 -42.917 6.776 0.188 1.00 0.00 C ATOM 410 NZ LYS A 26 -43.805 6.963 -0.981 1.00 0.00 N ATOM 0 H LYS A 26 -45.296 10.282 3.499 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.661 10.172 0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.878 8.917 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.181 8.769 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.538 6.788 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.633 7.034 0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.104 6.354 2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.999 5.253 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.414 7.714 0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -42.141 6.049 -0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -43.236 6.968 -1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -44.494 6.185 -1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -44.310 7.868 -0.892 1.00 0.00 H new ATOM 424 N ASN A 27 -47.892 8.403 2.333 1.00 0.00 N ATOM 425 CA ASN A 27 -49.132 7.665 2.156 1.00 0.00 C ATOM 426 C ASN A 27 -50.105 8.036 3.276 1.00 0.00 C ATOM 427 O ASN A 27 -50.566 7.167 4.016 1.00 0.00 O ATOM 428 CB ASN A 27 -48.887 6.156 2.221 1.00 0.00 C ATOM 429 CG ASN A 27 -47.630 5.838 3.033 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.532 6.524 4.168 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.804 5.025 2.653 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.668 8.634 3.301 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.542 7.922 1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.749 5.663 2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.783 5.757 1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.941 4.533 1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.976 4.837 3.218 1.00 0.00 H new ATOM 438 N CYS A 28 -50.390 9.327 3.367 1.00 0.00 N ATOM 439 CA CYS A 28 -51.301 9.822 4.384 1.00 0.00 C ATOM 440 C CYS A 28 -52.723 9.406 4.000 1.00 0.00 C ATOM 441 O CYS A 28 -53.140 9.592 2.859 1.00 0.00 O ATOM 442 CB CYS A 28 -51.178 11.337 4.564 1.00 0.00 C ATOM 443 SG CYS A 28 -52.334 11.909 5.862 1.00 0.00 S ATOM 0 H CYS A 28 -50.006 10.045 2.753 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.045 9.385 5.349 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.155 11.597 4.836 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.396 11.842 3.623 1.00 0.00 H new ATOM 0 HG CYS A 28 -51.679 12.118 6.965 1.00 0.00 H new ATOM 448 N ARG A 29 -53.426 8.852 4.976 1.00 0.00 N ATOM 449 CA ARG A 29 -54.793 8.408 4.754 1.00 0.00 C ATOM 450 C ARG A 29 -55.699 9.606 4.463 1.00 0.00 C ATOM 451 O ARG A 29 -56.641 9.499 3.678 1.00 0.00 O ATOM 452 CB ARG A 29 -55.331 7.655 5.972 1.00 0.00 C ATOM 453 CG ARG A 29 -56.233 6.495 5.545 1.00 0.00 C ATOM 454 CD ARG A 29 -56.634 5.639 6.748 1.00 0.00 C ATOM 455 NE ARG A 29 -58.057 5.247 6.639 1.00 0.00 N ATOM 456 CZ ARG A 29 -58.680 4.433 7.503 1.00 0.00 C ATOM 457 NH1 ARG A 29 -58.010 3.922 8.544 1.00 0.00 N ATOM 458 NH2 ARG A 29 -59.973 4.132 7.325 1.00 0.00 N ATOM 0 H ARG A 29 -53.076 8.700 5.922 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.789 7.735 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.500 7.274 6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -55.890 8.340 6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -57.127 6.885 5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.714 5.877 4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -56.006 4.749 6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -56.471 6.195 7.671 1.00 0.00 H new ATOM 0 HE ARG A 29 -58.597 5.619 5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -57.026 4.152 8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -58.484 3.303 9.201 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -60.483 4.522 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -60.448 3.513 7.982 1.00 0.00 H new ATOM 472 N ALA A 30 -55.382 10.718 5.109 1.00 0.00 N ATOM 473 CA ALA A 30 -56.156 11.935 4.928 1.00 0.00 C ATOM 474 C ALA A 30 -56.552 12.068 3.456 1.00 0.00 C ATOM 475 O ALA A 30 -55.750 12.500 2.631 1.00 0.00 O ATOM 476 CB ALA A 30 -55.346 13.134 5.425 1.00 0.00 C ATOM 0 H ALA A 30 -54.600 10.802 5.758 1.00 0.00 H new ATOM 0 HA ALA A 30 -57.074 11.897 5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -55.926 14.047 5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -55.116 13.004 6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.418 13.206 4.858 1.00 0.00 H new ATOM 482 N PRO A 31 -57.822 11.678 3.165 1.00 0.00 N ATOM 483 CA PRO A 31 -58.335 11.750 1.808 1.00 0.00 C ATOM 484 C PRO A 31 -58.651 13.195 1.416 1.00 0.00 C ATOM 485 O PRO A 31 -59.735 13.482 0.908 1.00 0.00 O ATOM 486 CB PRO A 31 -59.560 10.851 1.801 1.00 0.00 C ATOM 487 CG PRO A 31 -59.958 10.679 3.258 1.00 0.00 C ATOM 488 CD PRO A 31 -58.801 11.161 4.117 1.00 0.00 C ATOM 0 HA PRO A 31 -57.609 11.416 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -60.370 11.299 1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -59.336 9.889 1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -60.860 11.250 3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.183 9.634 3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -59.121 11.935 4.815 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.384 10.348 4.712 1.00 0.00 H new ATOM 496 N ARG A 32 -57.687 14.068 1.669 1.00 0.00 N ATOM 497 CA ARG A 32 -57.849 15.477 1.350 1.00 0.00 C ATOM 498 C ARG A 32 -57.714 15.698 -0.158 1.00 0.00 C ATOM 499 O ARG A 32 -56.662 15.431 -0.737 1.00 0.00 O ATOM 500 CB ARG A 32 -56.809 16.330 2.079 1.00 0.00 C ATOM 501 CG ARG A 32 -57.413 16.988 3.321 1.00 0.00 C ATOM 502 CD ARG A 32 -56.411 17.000 4.478 1.00 0.00 C ATOM 503 NE ARG A 32 -56.980 17.729 5.632 1.00 0.00 N ATOM 504 CZ ARG A 32 -56.474 17.685 6.872 1.00 0.00 C ATOM 505 NH1 ARG A 32 -55.386 16.946 7.125 1.00 0.00 N ATOM 506 NH2 ARG A 32 -57.056 18.380 7.858 1.00 0.00 N ATOM 0 H ARG A 32 -56.790 13.827 2.091 1.00 0.00 H new ATOM 0 HA ARG A 32 -58.844 15.779 1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -55.962 15.708 2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -56.426 17.097 1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -57.714 18.009 3.086 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -58.313 16.451 3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -56.165 15.978 4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -55.482 17.473 4.160 1.00 0.00 H new ATOM 0 HE ARG A 32 -57.810 18.301 5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -54.943 16.417 6.374 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -55.001 16.912 8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -57.884 18.943 7.665 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -56.671 18.346 8.802 1.00 0.00 H new ATOM 520 N LYS A 33 -58.794 16.184 -0.751 1.00 0.00 N ATOM 521 CA LYS A 33 -58.809 16.445 -2.180 1.00 0.00 C ATOM 522 C LYS A 33 -57.837 17.583 -2.498 1.00 0.00 C ATOM 523 O LYS A 33 -56.956 17.434 -3.343 1.00 0.00 O ATOM 524 CB LYS A 33 -60.238 16.705 -2.663 1.00 0.00 C ATOM 525 CG LYS A 33 -60.815 17.964 -2.014 1.00 0.00 C ATOM 526 CD LYS A 33 -62.296 18.129 -2.359 1.00 0.00 C ATOM 527 CE LYS A 33 -63.159 18.115 -1.097 1.00 0.00 C ATOM 528 NZ LYS A 33 -64.584 18.319 -1.440 1.00 0.00 N ATOM 0 H LYS A 33 -59.665 16.404 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 33 -58.465 15.569 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -60.245 16.815 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -60.868 15.848 -2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -60.694 17.908 -0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -60.260 18.839 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -62.446 19.066 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -62.609 17.326 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -63.037 17.165 -0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -62.828 18.898 -0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -65.155 18.307 -0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -64.698 19.236 -1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -64.901 17.558 -2.074 1.00 0.00 H new ATOM 542 N LYS A 34 -58.030 18.694 -1.802 1.00 0.00 N ATOM 543 CA LYS A 34 -57.181 19.857 -2.000 1.00 0.00 C ATOM 544 C LYS A 34 -57.525 20.918 -0.953 1.00 0.00 C ATOM 545 O LYS A 34 -58.636 21.447 -0.943 1.00 0.00 O ATOM 546 CB LYS A 34 -57.284 20.358 -3.441 1.00 0.00 C ATOM 547 CG LYS A 34 -56.122 19.838 -4.289 1.00 0.00 C ATOM 548 CD LYS A 34 -56.628 19.199 -5.583 1.00 0.00 C ATOM 549 CE LYS A 34 -55.548 18.324 -6.221 1.00 0.00 C ATOM 550 NZ LYS A 34 -55.689 18.319 -7.695 1.00 0.00 N ATOM 0 H LYS A 34 -58.761 18.814 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 34 -56.134 19.593 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -58.229 20.033 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -57.286 21.448 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -55.445 20.659 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -55.550 19.107 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -57.512 18.597 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -56.931 19.978 -6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -54.561 18.695 -5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -55.624 17.306 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -54.948 17.720 -8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -56.624 17.944 -7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -55.594 19.290 -8.056 1.00 0.00 H new ATOM 564 N GLY A 35 -56.553 21.197 -0.098 1.00 0.00 N ATOM 565 CA GLY A 35 -56.740 22.186 0.951 1.00 0.00 C ATOM 566 C GLY A 35 -55.394 22.678 1.486 1.00 0.00 C ATOM 567 O GLY A 35 -54.406 21.946 1.461 1.00 0.00 O ATOM 0 H GLY A 35 -55.633 20.756 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.312 23.029 0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.323 21.753 1.764 1.00 0.00 H new ATOM 571 N CYS A 36 -55.398 23.916 1.960 1.00 0.00 N ATOM 572 CA CYS A 36 -54.190 24.514 2.501 1.00 0.00 C ATOM 573 C CYS A 36 -53.960 23.947 3.904 1.00 0.00 C ATOM 574 O CYS A 36 -54.675 24.295 4.843 1.00 0.00 O ATOM 575 CB CYS A 36 -54.270 26.041 2.509 1.00 0.00 C ATOM 576 SG CYS A 36 -52.677 26.748 3.067 1.00 0.00 S ATOM 0 H CYS A 36 -56.219 24.521 1.980 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.341 24.263 1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.509 26.406 1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.074 26.368 3.169 1.00 0.00 H new ATOM 0 HG CYS A 36 -52.898 27.838 3.740 1.00 0.00 H new ATOM 581 N TRP A 37 -52.959 23.085 4.002 1.00 0.00 N ATOM 582 CA TRP A 37 -52.625 22.467 5.274 1.00 0.00 C ATOM 583 C TRP A 37 -51.616 23.368 5.987 1.00 0.00 C ATOM 584 O TRP A 37 -50.979 22.951 6.953 1.00 0.00 O ATOM 585 CB TRP A 37 -52.115 21.040 5.073 1.00 0.00 C ATOM 586 CG TRP A 37 -50.651 20.839 5.473 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.162 20.061 6.447 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.501 21.464 4.865 1.00 0.00 C ATOM 589 NE1 TRP A 37 -48.785 20.137 6.512 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.370 21.017 5.520 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.418 22.376 3.798 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.076 21.429 5.180 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.117 22.777 3.472 1.00 0.00 C ATOM 594 CH2 TRP A 37 -46.970 22.337 4.120 1.00 0.00 C ATOM 0 H TRP A 37 -52.368 22.800 3.221 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.511 22.373 5.901 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -52.736 20.358 5.654 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.235 20.767 4.025 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -50.769 19.451 7.100 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.183 19.639 7.168 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.289 22.738 3.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.206 21.066 5.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -47.997 23.478 2.659 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.000 22.694 3.807 1.00 0.00 H new ATOM 605 N LYS A 38 -51.500 24.589 5.484 1.00 0.00 N ATOM 606 CA LYS A 38 -50.578 25.553 6.060 1.00 0.00 C ATOM 607 C LYS A 38 -51.359 26.546 6.922 1.00 0.00 C ATOM 608 O LYS A 38 -50.878 26.978 7.969 1.00 0.00 O ATOM 609 CB LYS A 38 -49.740 26.215 4.965 1.00 0.00 C ATOM 610 CG LYS A 38 -48.711 27.174 5.566 1.00 0.00 C ATOM 611 CD LYS A 38 -48.685 28.500 4.803 1.00 0.00 C ATOM 612 CE LYS A 38 -47.759 29.508 5.485 1.00 0.00 C ATOM 613 NZ LYS A 38 -46.445 29.548 4.805 1.00 0.00 N ATOM 0 H LYS A 38 -52.030 24.933 4.683 1.00 0.00 H new ATOM 0 HA LYS A 38 -49.865 25.053 6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.231 25.450 4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.392 26.758 4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.949 27.358 6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -47.722 26.716 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -48.351 28.328 3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -49.693 28.909 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -48.214 30.498 5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -47.625 29.237 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -45.829 30.237 5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -46.005 28.606 4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -46.576 29.828 3.812 1.00 0.00 H new ATOM 627 N CYS A 39 -52.552 26.881 6.451 1.00 0.00 N ATOM 628 CA CYS A 39 -53.404 27.816 7.165 1.00 0.00 C ATOM 629 C CYS A 39 -54.582 27.038 7.754 1.00 0.00 C ATOM 630 O CYS A 39 -54.975 27.270 8.897 1.00 0.00 O ATOM 631 CB CYS A 39 -53.870 28.960 6.263 1.00 0.00 C ATOM 632 SG CYS A 39 -54.819 28.294 4.847 1.00 0.00 S ATOM 0 H CYS A 39 -52.948 26.521 5.583 1.00 0.00 H new ATOM 0 HA CYS A 39 -52.839 28.284 7.971 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -54.489 29.654 6.832 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.009 29.523 5.902 1.00 0.00 H new ATOM 0 HG CYS A 39 -54.230 27.228 4.393 1.00 0.00 H new ATOM 637 N GLY A 40 -55.114 26.131 6.948 1.00 0.00 N ATOM 638 CA GLY A 40 -56.240 25.318 7.376 1.00 0.00 C ATOM 639 C GLY A 40 -57.507 25.685 6.601 1.00 0.00 C ATOM 640 O GLY A 40 -58.616 25.536 7.112 1.00 0.00 O ATOM 0 H GLY A 40 -54.786 25.941 6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -56.010 24.263 7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.409 25.458 8.444 1.00 0.00 H new ATOM 644 N LYS A 41 -57.300 26.159 5.381 1.00 0.00 N ATOM 645 CA LYS A 41 -58.413 26.549 4.531 1.00 0.00 C ATOM 646 C LYS A 41 -58.428 25.665 3.282 1.00 0.00 C ATOM 647 O LYS A 41 -57.492 25.696 2.484 1.00 0.00 O ATOM 648 CB LYS A 41 -58.353 28.047 4.225 1.00 0.00 C ATOM 649 CG LYS A 41 -59.436 28.806 4.993 1.00 0.00 C ATOM 650 CD LYS A 41 -58.908 30.151 5.497 1.00 0.00 C ATOM 651 CE LYS A 41 -59.580 31.314 4.763 1.00 0.00 C ATOM 652 NZ LYS A 41 -60.972 31.489 5.234 1.00 0.00 N ATOM 0 H LYS A 41 -56.379 26.282 4.961 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.361 26.390 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.371 28.438 4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.480 28.209 3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.299 28.969 4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.778 28.206 5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -59.090 30.239 6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -57.829 30.200 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -59.016 32.231 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -59.574 31.126 3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -61.413 32.282 4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -61.512 30.619 5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -60.971 31.690 6.254 1.00 0.00 H new ATOM 666 N GLU A 42 -59.502 24.900 3.151 1.00 0.00 N ATOM 667 CA GLU A 42 -59.651 24.010 2.012 1.00 0.00 C ATOM 668 C GLU A 42 -59.979 24.811 0.751 1.00 0.00 C ATOM 669 O GLU A 42 -60.507 25.920 0.835 1.00 0.00 O ATOM 670 CB GLU A 42 -60.721 22.950 2.282 1.00 0.00 C ATOM 671 CG GLU A 42 -62.109 23.586 2.382 1.00 0.00 C ATOM 672 CD GLU A 42 -63.149 22.561 2.840 1.00 0.00 C ATOM 673 OE1 GLU A 42 -63.145 21.452 2.265 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.925 22.912 3.756 1.00 0.00 O ATOM 0 H GLU A 42 -60.277 24.878 3.814 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.705 23.493 1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.713 22.209 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.491 22.423 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.081 24.420 3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -62.397 23.994 1.413 1.00 0.00 H new ATOM 681 N GLY A 43 -59.653 24.220 -0.389 1.00 0.00 N ATOM 682 CA GLY A 43 -59.906 24.867 -1.666 1.00 0.00 C ATOM 683 C GLY A 43 -58.597 25.299 -2.330 1.00 0.00 C ATOM 684 O GLY A 43 -58.505 25.347 -3.555 1.00 0.00 O ATOM 0 H GLY A 43 -59.216 23.301 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -60.444 24.184 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -60.547 25.736 -1.517 1.00 0.00 H new ATOM 688 N HIS A 44 -57.618 25.606 -1.491 1.00 0.00 N ATOM 689 CA HIS A 44 -56.319 26.034 -1.982 1.00 0.00 C ATOM 690 C HIS A 44 -55.217 25.241 -1.275 1.00 0.00 C ATOM 691 O HIS A 44 -55.504 24.345 -0.483 1.00 0.00 O ATOM 692 CB HIS A 44 -56.152 27.547 -1.829 1.00 0.00 C ATOM 693 CG HIS A 44 -55.806 27.988 -0.427 1.00 0.00 C ATOM 694 ND1 HIS A 44 -54.617 28.377 0.116 1.00 0.00 N flip ATOM 695 CD2 HIS A 44 -56.743 28.059 0.589 1.00 0.00 C flip ATOM 696 CE1 HIS A 44 -54.817 28.673 1.395 1.00 0.00 C flip ATOM 697 NE2 HIS A 44 -56.135 28.476 1.690 1.00 0.00 N flip ATOM 0 H HIS A 44 -57.698 25.567 -0.475 1.00 0.00 H new ATOM 0 HA HIS A 44 -56.242 25.825 -3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -55.371 27.887 -2.509 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.076 28.037 -2.135 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -53.725 28.431 -0.377 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -57.791 27.816 0.500 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -54.061 29.013 2.088 1.00 0.00 H new ATOM 705 N GLN A 45 -53.981 25.600 -1.588 1.00 0.00 N ATOM 706 CA GLN A 45 -52.835 24.934 -0.993 1.00 0.00 C ATOM 707 C GLN A 45 -51.824 25.966 -0.489 1.00 0.00 C ATOM 708 O GLN A 45 -51.940 27.153 -0.791 1.00 0.00 O ATOM 709 CB GLN A 45 -52.185 23.969 -1.987 1.00 0.00 C ATOM 710 CG GLN A 45 -51.391 24.730 -3.052 1.00 0.00 C ATOM 711 CD GLN A 45 -49.951 24.220 -3.130 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.317 23.920 -2.132 1.00 0.00 O ATOM 713 NE2 GLN A 45 -49.472 24.141 -4.369 1.00 0.00 N ATOM 0 H GLN A 45 -53.748 26.344 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.181 24.348 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.524 23.285 -1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -52.954 23.362 -2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -51.874 24.615 -4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -51.391 25.795 -2.819 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -50.058 24.408 -5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -48.519 23.813 -4.528 1.00 0.00 H new ATOM 722 N MET A 46 -50.854 25.476 0.268 1.00 0.00 N ATOM 723 CA MET A 46 -49.823 26.340 0.817 1.00 0.00 C ATOM 724 C MET A 46 -49.157 27.167 -0.285 1.00 0.00 C ATOM 725 O MET A 46 -49.050 28.387 -0.172 1.00 0.00 O ATOM 726 CB MET A 46 -48.767 25.490 1.527 1.00 0.00 C ATOM 727 CG MET A 46 -47.540 26.329 1.888 1.00 0.00 C ATOM 728 SD MET A 46 -46.748 25.657 3.341 1.00 0.00 S ATOM 729 CE MET A 46 -45.130 25.302 2.675 1.00 0.00 C ATOM 0 H MET A 46 -50.760 24.491 0.514 1.00 0.00 H new ATOM 0 HA MET A 46 -50.289 27.023 1.527 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.193 25.055 2.431 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.469 24.662 0.884 1.00 0.00 H new ATOM 0 HG2 MET A 46 -46.839 26.341 1.054 1.00 0.00 H new ATOM 0 HG3 MET A 46 -47.836 27.362 2.070 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.501 24.873 3.455 1.00 0.00 H new ATOM 0 HE2 MET A 46 -45.223 24.592 1.853 1.00 0.00 H new ATOM 0 HE3 MET A 46 -44.677 26.224 2.310 1.00 0.00 H new ATOM 739 N LYS A 47 -48.728 26.469 -1.325 1.00 0.00 N ATOM 740 CA LYS A 47 -48.075 27.122 -2.448 1.00 0.00 C ATOM 741 C LYS A 47 -48.992 28.215 -3.000 1.00 0.00 C ATOM 742 O LYS A 47 -48.540 29.106 -3.716 1.00 0.00 O ATOM 743 CB LYS A 47 -47.648 26.091 -3.494 1.00 0.00 C ATOM 744 CG LYS A 47 -46.217 26.353 -3.969 1.00 0.00 C ATOM 745 CD LYS A 47 -45.200 25.689 -3.040 1.00 0.00 C ATOM 746 CE LYS A 47 -43.883 25.419 -3.771 1.00 0.00 C ATOM 747 NZ LYS A 47 -43.065 26.651 -3.837 1.00 0.00 N ATOM 0 H LYS A 47 -48.819 25.457 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.156 27.610 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -47.717 25.089 -3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -48.329 26.126 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -46.091 25.973 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -46.034 27.427 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -45.017 26.330 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -45.607 24.752 -2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -43.329 24.634 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -44.087 25.056 -4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -42.175 26.450 -4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -43.590 27.389 -4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -42.855 26.980 -2.873 1.00 0.00 H new ATOM 761 N ASP A 48 -50.265 28.110 -2.645 1.00 0.00 N ATOM 762 CA ASP A 48 -51.249 29.078 -3.096 1.00 0.00 C ATOM 763 C ASP A 48 -51.981 29.658 -1.883 1.00 0.00 C ATOM 764 O ASP A 48 -53.184 29.910 -1.941 1.00 0.00 O ATOM 765 CB ASP A 48 -52.290 28.422 -4.006 1.00 0.00 C ATOM 766 CG ASP A 48 -52.751 29.281 -5.185 1.00 0.00 C ATOM 767 OD1 ASP A 48 -52.210 30.400 -5.317 1.00 0.00 O ATOM 768 OD2 ASP A 48 -53.632 28.799 -5.929 1.00 0.00 O ATOM 0 H ASP A 48 -50.637 27.369 -2.050 1.00 0.00 H new ATOM 0 HA ASP A 48 -50.726 29.858 -3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -51.876 27.491 -4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.161 28.158 -3.406 1.00 0.00 H new ATOM 773 N CYS A 49 -51.224 29.852 -0.813 1.00 0.00 N ATOM 774 CA CYS A 49 -51.785 30.398 0.411 1.00 0.00 C ATOM 775 C CYS A 49 -51.885 31.917 0.259 1.00 0.00 C ATOM 776 O CYS A 49 -51.071 32.530 -0.430 1.00 0.00 O ATOM 777 CB CYS A 49 -50.961 30.000 1.637 1.00 0.00 C ATOM 778 SG CYS A 49 -51.843 30.480 3.167 1.00 0.00 S ATOM 0 H CYS A 49 -50.227 29.641 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 49 -52.780 29.985 0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -50.783 28.925 1.632 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -49.985 30.485 1.603 1.00 0.00 H new ATOM 0 HG CYS A 49 -51.000 30.536 4.155 1.00 0.00 H new ATOM 783 N THR A 50 -52.889 32.481 0.913 1.00 0.00 N ATOM 784 CA THR A 50 -53.106 33.916 0.858 1.00 0.00 C ATOM 785 C THR A 50 -53.511 34.447 2.236 1.00 0.00 C ATOM 786 O THR A 50 -54.236 35.436 2.335 1.00 0.00 O ATOM 787 CB THR A 50 -54.143 34.197 -0.230 1.00 0.00 C ATOM 788 OG1 THR A 50 -54.359 35.604 -0.150 1.00 0.00 O ATOM 789 CG2 THR A 50 -55.511 33.593 0.095 1.00 0.00 C ATOM 0 H THR A 50 -53.562 31.970 1.484 1.00 0.00 H new ATOM 0 HA THR A 50 -52.189 34.445 0.597 1.00 0.00 H new ATOM 0 HB THR A 50 -53.787 33.801 -1.181 1.00 0.00 H new ATOM 0 HG1 THR A 50 -54.666 35.837 0.751 1.00 0.00 H new ATOM 0 HG21 THR A 50 -56.210 33.822 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 50 -55.416 32.512 0.197 1.00 0.00 H new ATOM 0 HG23 THR A 50 -55.882 34.015 1.029 1.00 0.00 H new ATOM 797 N GLU A 51 -53.025 33.766 3.263 1.00 0.00 N ATOM 798 CA GLU A 51 -53.327 34.156 4.629 1.00 0.00 C ATOM 799 C GLU A 51 -52.082 34.016 5.509 1.00 0.00 C ATOM 800 O GLU A 51 -52.082 33.252 6.473 1.00 0.00 O ATOM 801 CB GLU A 51 -54.489 33.336 5.190 1.00 0.00 C ATOM 802 CG GLU A 51 -55.282 34.140 6.223 1.00 0.00 C ATOM 803 CD GLU A 51 -56.225 33.235 7.017 1.00 0.00 C ATOM 804 OE1 GLU A 51 -55.834 32.069 7.245 1.00 0.00 O ATOM 805 OE2 GLU A 51 -57.314 33.729 7.380 1.00 0.00 O ATOM 0 H GLU A 51 -52.424 32.946 3.176 1.00 0.00 H new ATOM 0 HA GLU A 51 -53.632 35.203 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -55.149 33.031 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -54.107 32.425 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -54.595 34.641 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -55.857 34.918 5.720 1.00 0.00 H new