USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 510 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 37 TYR OH : rot 30:sc= 0.767 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 178:sc= 0.87 (180deg=0) USER MOD Set 2.1: A 26 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0.521) USER MOD Set 2.2: A 42 ASN : amide:sc= 0.528 K(o=1.7,f=-7.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.921 (180deg=-0.0505) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00393) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 18 SER OG : rot 21:sc= 0.281 USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0.298 (180deg=0.277) USER MOD Single : A 29 ASN : amide:sc= -0.0983 X(o=-0.098,f=-0.065) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 35 ASN : amide:sc= 0.102 K(o=0.1,f=-0.99) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0.499 (180deg=0.474) USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0698) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 52 TYR OH : rot -35:sc= 0.629 USER MOD Single : A 55 MET CE :methyl 174:sc= 0 (180deg=-0.0502) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.452 1.877 3.582 1.00 0.00 N ATOM 2 CA MET A 1 12.104 0.564 4.110 1.00 0.00 C ATOM 3 C MET A 1 10.988 -0.081 3.262 1.00 0.00 C ATOM 4 O MET A 1 9.921 -0.422 3.771 1.00 0.00 O ATOM 5 CB MET A 1 11.800 0.641 5.627 1.00 0.00 C ATOM 6 CG MET A 1 10.638 1.548 6.086 1.00 0.00 C ATOM 7 SD MET A 1 10.906 3.346 6.038 1.00 0.00 S ATOM 8 CE MET A 1 9.305 3.926 6.657 1.00 0.00 C ATOM 0 H1 MET A 1 13.480 1.931 3.437 1.00 0.00 H new ATOM 0 H2 MET A 1 11.966 2.026 2.675 1.00 0.00 H new ATOM 0 H3 MET A 1 12.158 2.612 4.257 1.00 0.00 H new ATOM 0 HA MET A 1 12.960 -0.106 4.025 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.594 -0.370 5.978 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.706 0.976 6.133 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.770 1.321 5.467 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.381 1.274 7.109 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.301 5.015 6.691 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.512 3.580 5.994 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.138 3.532 7.659 1.00 0.00 H new ATOM 19 N GLU A 2 11.252 -0.256 1.956 1.00 0.00 N ATOM 20 CA GLU A 2 10.297 -0.709 0.941 1.00 0.00 C ATOM 21 C GLU A 2 9.666 -2.084 1.233 1.00 0.00 C ATOM 22 O GLU A 2 10.156 -2.849 2.064 1.00 0.00 O ATOM 23 CB GLU A 2 10.966 -0.671 -0.448 1.00 0.00 C ATOM 24 CG GLU A 2 12.131 -1.666 -0.599 1.00 0.00 C ATOM 25 CD GLU A 2 12.702 -1.688 -2.019 1.00 0.00 C ATOM 26 OE1 GLU A 2 12.979 -0.590 -2.548 1.00 0.00 O ATOM 27 OE2 GLU A 2 12.856 -2.808 -2.555 1.00 0.00 O ATOM 0 H GLU A 2 12.178 -0.077 1.566 1.00 0.00 H new ATOM 0 HA GLU A 2 9.457 -0.015 0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.216 -0.885 -1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.334 0.337 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.922 -1.404 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.788 -2.666 -0.333 1.00 0.00 H new ATOM 34 N ALA A 3 8.566 -2.388 0.529 1.00 0.00 N ATOM 35 CA ALA A 3 7.791 -3.619 0.667 1.00 0.00 C ATOM 36 C ALA A 3 7.328 -4.120 -0.711 1.00 0.00 C ATOM 37 O ALA A 3 6.857 -3.334 -1.533 1.00 0.00 O ATOM 38 CB ALA A 3 6.594 -3.359 1.591 1.00 0.00 C ATOM 0 H ALA A 3 8.182 -1.758 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 3 8.415 -4.397 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.011 -4.274 1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.952 -3.040 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.967 -2.578 1.162 1.00 0.00 H new ATOM 44 N ILE A 4 7.453 -5.432 -0.959 1.00 0.00 N ATOM 45 CA ILE A 4 7.020 -6.081 -2.199 1.00 0.00 C ATOM 46 C ILE A 4 5.533 -6.439 -2.072 1.00 0.00 C ATOM 47 O ILE A 4 5.141 -7.096 -1.113 1.00 0.00 O ATOM 48 CB ILE A 4 7.874 -7.339 -2.493 1.00 0.00 C ATOM 49 CG1 ILE A 4 9.380 -6.991 -2.535 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.432 -7.979 -3.826 1.00 0.00 C ATOM 51 CD1 ILE A 4 10.283 -8.211 -2.763 1.00 0.00 C ATOM 0 H ILE A 4 7.866 -6.081 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 4 7.158 -5.398 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 4 7.717 -8.055 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.555 -6.265 -3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.660 -6.511 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.038 -8.863 -4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.382 -8.266 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.563 -7.261 -4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.326 -7.894 -2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.136 -8.928 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 4 10.029 -8.679 -3.714 1.00 0.00 H new ATOM 63 N ALA A 5 4.708 -6.039 -3.046 1.00 0.00 N ATOM 64 CA ALA A 5 3.290 -6.374 -3.134 1.00 0.00 C ATOM 65 C ALA A 5 3.061 -7.888 -2.974 1.00 0.00 C ATOM 66 O ALA A 5 3.543 -8.684 -3.780 1.00 0.00 O ATOM 67 CB ALA A 5 2.732 -5.868 -4.465 1.00 0.00 C ATOM 0 H ALA A 5 5.024 -5.453 -3.819 1.00 0.00 H new ATOM 0 HA ALA A 5 2.760 -5.884 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.673 -6.117 -4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.855 -4.787 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.270 -6.340 -5.288 1.00 0.00 H new ATOM 73 N LYS A 6 2.343 -8.264 -1.908 1.00 0.00 N ATOM 74 CA LYS A 6 2.074 -9.632 -1.477 1.00 0.00 C ATOM 75 C LYS A 6 0.787 -10.160 -2.127 1.00 0.00 C ATOM 76 O LYS A 6 0.747 -11.312 -2.554 1.00 0.00 O ATOM 77 CB LYS A 6 1.984 -9.646 0.059 1.00 0.00 C ATOM 78 CG LYS A 6 1.914 -11.053 0.668 1.00 0.00 C ATOM 79 CD LYS A 6 1.957 -10.945 2.203 1.00 0.00 C ATOM 80 CE LYS A 6 2.039 -12.311 2.898 1.00 0.00 C ATOM 81 NZ LYS A 6 0.812 -13.106 2.709 1.00 0.00 N ATOM 0 H LYS A 6 1.911 -7.577 -1.290 1.00 0.00 H new ATOM 0 HA LYS A 6 2.880 -10.294 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.851 -9.127 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.102 -9.084 0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.998 -11.553 0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.747 -11.658 0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.817 -10.343 2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.067 -10.420 2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.893 -12.865 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.215 -12.165 3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.912 -14.020 3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.000 -12.591 3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.657 -13.269 1.694 1.00 0.00 H new ATOM 95 N VAL A 7 -0.255 -9.318 -2.200 1.00 0.00 N ATOM 96 CA VAL A 7 -1.530 -9.604 -2.856 1.00 0.00 C ATOM 97 C VAL A 7 -1.895 -8.434 -3.786 1.00 0.00 C ATOM 98 O VAL A 7 -1.588 -7.276 -3.497 1.00 0.00 O ATOM 99 CB VAL A 7 -2.621 -9.888 -1.797 1.00 0.00 C ATOM 100 CG1 VAL A 7 -3.978 -10.209 -2.448 1.00 0.00 C ATOM 101 CG2 VAL A 7 -2.216 -11.068 -0.894 1.00 0.00 C ATOM 0 H VAL A 7 -0.227 -8.386 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.448 -10.501 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.720 -8.982 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.718 -10.403 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.301 -9.362 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.878 -11.090 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.999 -11.248 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.078 -11.961 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.284 -10.831 -0.381 1.00 0.00 H new ATOM 111 N ASP A 8 -2.550 -8.746 -4.913 1.00 0.00 N ATOM 112 CA ASP A 8 -2.975 -7.796 -5.936 1.00 0.00 C ATOM 113 C ASP A 8 -4.056 -6.856 -5.370 1.00 0.00 C ATOM 114 O ASP A 8 -5.196 -7.273 -5.160 1.00 0.00 O ATOM 115 CB ASP A 8 -3.473 -8.576 -7.169 1.00 0.00 C ATOM 116 CG ASP A 8 -2.427 -9.563 -7.693 1.00 0.00 C ATOM 117 OD1 ASP A 8 -2.406 -10.701 -7.176 1.00 0.00 O ATOM 118 OD2 ASP A 8 -1.644 -9.153 -8.576 1.00 0.00 O ATOM 0 H ASP A 8 -2.806 -9.707 -5.141 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.136 -7.171 -6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.383 -9.118 -6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.734 -7.873 -7.960 1.00 0.00 H new ATOM 123 N PHE A 9 -3.686 -5.595 -5.101 1.00 0.00 N ATOM 124 CA PHE A 9 -4.537 -4.581 -4.486 1.00 0.00 C ATOM 125 C PHE A 9 -5.101 -3.635 -5.556 1.00 0.00 C ATOM 126 O PHE A 9 -4.403 -2.734 -6.018 1.00 0.00 O ATOM 127 CB PHE A 9 -3.730 -3.807 -3.429 1.00 0.00 C ATOM 128 CG PHE A 9 -4.552 -2.812 -2.623 1.00 0.00 C ATOM 129 CD1 PHE A 9 -5.686 -3.248 -1.898 1.00 0.00 C ATOM 130 CD2 PHE A 9 -4.258 -1.433 -2.690 1.00 0.00 C ATOM 131 CE1 PHE A 9 -6.554 -2.308 -1.305 1.00 0.00 C ATOM 132 CE2 PHE A 9 -5.106 -0.494 -2.066 1.00 0.00 C ATOM 133 CZ PHE A 9 -6.275 -0.930 -1.410 1.00 0.00 C ATOM 0 H PHE A 9 -2.752 -5.247 -5.316 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.381 -5.065 -3.994 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.270 -4.520 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.919 -3.274 -3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.888 -4.304 -1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.380 -1.095 -3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.431 -2.643 -0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.860 0.557 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.958 -0.208 -0.987 1.00 0.00 H new ATOM 143 N LYS A 10 -6.375 -3.824 -5.924 1.00 0.00 N ATOM 144 CA LYS A 10 -7.094 -2.977 -6.873 1.00 0.00 C ATOM 145 C LYS A 10 -7.783 -1.833 -6.110 1.00 0.00 C ATOM 146 O LYS A 10 -8.938 -1.964 -5.704 1.00 0.00 O ATOM 147 CB LYS A 10 -8.077 -3.846 -7.681 1.00 0.00 C ATOM 148 CG LYS A 10 -8.749 -3.053 -8.815 1.00 0.00 C ATOM 149 CD LYS A 10 -9.781 -3.887 -9.596 1.00 0.00 C ATOM 150 CE LYS A 10 -9.219 -5.161 -10.247 1.00 0.00 C ATOM 151 NZ LYS A 10 -8.086 -4.878 -11.148 1.00 0.00 N ATOM 0 H LYS A 10 -6.943 -4.588 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.411 -2.517 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.545 -4.700 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.842 -4.244 -7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.240 -2.175 -8.396 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.984 -2.693 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.588 -4.167 -8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.220 -3.261 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.897 -5.852 -9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.010 -5.659 -10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.763 -5.763 -11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.389 -4.213 -11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.306 -4.458 -10.603 1.00 0.00 H new ATOM 165 N ALA A 11 -7.074 -0.709 -5.914 1.00 0.00 N ATOM 166 CA ALA A 11 -7.603 0.469 -5.222 1.00 0.00 C ATOM 167 C ALA A 11 -8.715 1.156 -6.036 1.00 0.00 C ATOM 168 O ALA A 11 -8.646 1.215 -7.264 1.00 0.00 O ATOM 169 CB ALA A 11 -6.477 1.463 -4.912 1.00 0.00 C ATOM 0 H ALA A 11 -6.112 -0.596 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.041 0.128 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.889 2.331 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.734 0.984 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.007 1.782 -5.842 1.00 0.00 H new ATOM 175 N THR A 12 -9.739 1.673 -5.341 1.00 0.00 N ATOM 176 CA THR A 12 -10.913 2.322 -5.927 1.00 0.00 C ATOM 177 C THR A 12 -10.666 3.828 -6.123 1.00 0.00 C ATOM 178 O THR A 12 -10.556 4.295 -7.256 1.00 0.00 O ATOM 179 CB THR A 12 -12.154 2.019 -5.059 1.00 0.00 C ATOM 180 OG1 THR A 12 -11.975 2.472 -3.729 1.00 0.00 O ATOM 181 CG2 THR A 12 -13.434 2.636 -5.641 1.00 0.00 C ATOM 0 H THR A 12 -9.770 1.648 -4.322 1.00 0.00 H new ATOM 0 HA THR A 12 -11.102 1.918 -6.921 1.00 0.00 H new ATOM 0 HB THR A 12 -12.268 0.935 -5.057 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.777 2.268 -3.203 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.279 2.396 -4.996 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.321 3.718 -5.703 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.612 2.232 -6.638 1.00 0.00 H new ATOM 189 N ALA A 13 -10.605 4.586 -5.019 1.00 0.00 N ATOM 190 CA ALA A 13 -10.489 6.044 -5.003 1.00 0.00 C ATOM 191 C ALA A 13 -9.089 6.534 -5.415 1.00 0.00 C ATOM 192 O ALA A 13 -8.090 5.842 -5.210 1.00 0.00 O ATOM 193 CB ALA A 13 -10.861 6.558 -3.606 1.00 0.00 C ATOM 0 H ALA A 13 -10.636 4.183 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.179 6.447 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.778 7.645 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.885 6.268 -3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.185 6.127 -2.868 1.00 0.00 H new ATOM 199 N ASP A 14 -9.027 7.749 -5.983 1.00 0.00 N ATOM 200 CA ASP A 14 -7.815 8.409 -6.469 1.00 0.00 C ATOM 201 C ASP A 14 -7.009 9.048 -5.317 1.00 0.00 C ATOM 202 O ASP A 14 -6.749 10.250 -5.307 1.00 0.00 O ATOM 203 CB ASP A 14 -8.187 9.389 -7.606 1.00 0.00 C ATOM 204 CG ASP A 14 -9.185 10.481 -7.201 1.00 0.00 C ATOM 205 OD1 ASP A 14 -10.304 10.106 -6.786 1.00 0.00 O ATOM 206 OD2 ASP A 14 -8.822 11.671 -7.330 1.00 0.00 O ATOM 0 H ASP A 14 -9.861 8.320 -6.120 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.137 7.669 -6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.277 9.864 -7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.606 8.821 -8.436 1.00 0.00 H new ATOM 211 N ASP A 15 -6.587 8.205 -4.364 1.00 0.00 N ATOM 212 CA ASP A 15 -5.720 8.529 -3.231 1.00 0.00 C ATOM 213 C ASP A 15 -5.007 7.249 -2.755 1.00 0.00 C ATOM 214 O ASP A 15 -3.791 7.246 -2.562 1.00 0.00 O ATOM 215 CB ASP A 15 -6.533 9.211 -2.111 1.00 0.00 C ATOM 216 CG ASP A 15 -5.661 9.716 -0.957 1.00 0.00 C ATOM 217 OD1 ASP A 15 -4.578 10.268 -1.248 1.00 0.00 O ATOM 218 OD2 ASP A 15 -6.087 9.548 0.207 1.00 0.00 O ATOM 0 H ASP A 15 -6.860 7.222 -4.367 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.953 9.242 -3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.088 10.049 -2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.267 8.505 -1.722 1.00 0.00 H new ATOM 223 N GLU A 16 -5.761 6.149 -2.603 1.00 0.00 N ATOM 224 CA GLU A 16 -5.247 4.807 -2.369 1.00 0.00 C ATOM 225 C GLU A 16 -4.517 4.312 -3.632 1.00 0.00 C ATOM 226 O GLU A 16 -5.101 4.263 -4.714 1.00 0.00 O ATOM 227 CB GLU A 16 -6.400 3.864 -1.975 1.00 0.00 C ATOM 228 CG GLU A 16 -6.921 4.087 -0.541 1.00 0.00 C ATOM 229 CD GLU A 16 -7.642 5.415 -0.307 1.00 0.00 C ATOM 230 OE1 GLU A 16 -8.262 5.921 -1.266 1.00 0.00 O ATOM 231 OE2 GLU A 16 -7.575 5.895 0.846 1.00 0.00 O ATOM 0 H GLU A 16 -6.780 6.180 -2.642 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.534 4.820 -1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.224 3.999 -2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.063 2.832 -2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.601 3.274 -0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.079 4.023 0.148 1.00 0.00 H new ATOM 238 N LEU A 17 -3.232 3.959 -3.491 1.00 0.00 N ATOM 239 CA LEU A 17 -2.369 3.478 -4.567 1.00 0.00 C ATOM 240 C LEU A 17 -2.692 2.015 -4.899 1.00 0.00 C ATOM 241 O LEU A 17 -2.608 1.149 -4.031 1.00 0.00 O ATOM 242 CB LEU A 17 -0.901 3.656 -4.145 1.00 0.00 C ATOM 243 CG LEU A 17 0.151 3.086 -5.114 1.00 0.00 C ATOM 244 CD1 LEU A 17 0.026 3.649 -6.537 1.00 0.00 C ATOM 245 CD2 LEU A 17 1.540 3.433 -4.564 1.00 0.00 C ATOM 0 H LEU A 17 -2.753 4.004 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.544 4.058 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.707 4.721 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.763 3.185 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.007 2.010 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.795 3.208 -7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.958 3.407 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.152 4.731 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.305 3.040 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.643 4.516 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.661 2.991 -3.575 1.00 0.00 H new ATOM 257 N SER A 18 -3.037 1.751 -6.167 1.00 0.00 N ATOM 258 CA SER A 18 -3.305 0.419 -6.711 1.00 0.00 C ATOM 259 C SER A 18 -1.990 -0.260 -7.125 1.00 0.00 C ATOM 260 O SER A 18 -1.078 0.411 -7.612 1.00 0.00 O ATOM 261 CB SER A 18 -4.246 0.540 -7.923 1.00 0.00 C ATOM 262 OG SER A 18 -4.675 -0.735 -8.357 1.00 0.00 O ATOM 0 H SER A 18 -3.140 2.488 -6.864 1.00 0.00 H new ATOM 0 HA SER A 18 -3.783 -0.192 -5.945 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.111 1.148 -7.658 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.733 1.052 -8.737 1.00 0.00 H new ATOM 0 HG SER A 18 -4.575 -1.380 -7.626 1.00 0.00 H new ATOM 268 N PHE A 19 -1.896 -1.589 -6.961 1.00 0.00 N ATOM 269 CA PHE A 19 -0.711 -2.360 -7.340 1.00 0.00 C ATOM 270 C PHE A 19 -1.013 -3.854 -7.546 1.00 0.00 C ATOM 271 O PHE A 19 -1.946 -4.405 -6.964 1.00 0.00 O ATOM 272 CB PHE A 19 0.407 -2.147 -6.305 1.00 0.00 C ATOM 273 CG PHE A 19 0.014 -2.424 -4.861 1.00 0.00 C ATOM 274 CD1 PHE A 19 -0.021 -3.751 -4.377 1.00 0.00 C ATOM 275 CD2 PHE A 19 -0.306 -1.356 -3.993 1.00 0.00 C ATOM 276 CE1 PHE A 19 -0.315 -4.004 -3.021 1.00 0.00 C ATOM 277 CE2 PHE A 19 -0.623 -1.610 -2.643 1.00 0.00 C ATOM 278 CZ PHE A 19 -0.618 -2.933 -2.153 1.00 0.00 C ATOM 0 H PHE A 19 -2.643 -2.156 -6.561 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.372 -1.989 -8.307 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.248 -2.789 -6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.757 -1.117 -6.378 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.178 -4.574 -5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.308 -0.342 -4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.308 -5.017 -2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.870 -0.791 -1.983 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.846 -3.126 -1.115 1.00 0.00 H new ATOM 288 N LYS A 20 -0.179 -4.503 -8.370 1.00 0.00 N ATOM 289 CA LYS A 20 -0.156 -5.937 -8.656 1.00 0.00 C ATOM 290 C LYS A 20 0.863 -6.631 -7.731 1.00 0.00 C ATOM 291 O LYS A 20 1.883 -6.039 -7.378 1.00 0.00 O ATOM 292 CB LYS A 20 0.229 -6.107 -10.141 1.00 0.00 C ATOM 293 CG LYS A 20 0.336 -7.568 -10.603 1.00 0.00 C ATOM 294 CD LYS A 20 0.961 -7.670 -12.004 1.00 0.00 C ATOM 295 CE LYS A 20 1.405 -9.107 -12.317 1.00 0.00 C ATOM 296 NZ LYS A 20 2.578 -9.510 -11.514 1.00 0.00 N ATOM 0 H LYS A 20 0.544 -4.003 -8.887 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.129 -6.394 -8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.512 -5.597 -10.757 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.184 -5.612 -10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.939 -8.133 -9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.655 -8.022 -10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.239 -7.340 -12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.818 -7.000 -12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.580 -9.792 -12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.645 -9.190 -13.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.928 -10.430 -11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.328 -8.797 -11.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.304 -9.587 -10.514 1.00 0.00 H new ATOM 310 N ARG A 21 0.624 -7.906 -7.380 1.00 0.00 N ATOM 311 CA ARG A 21 1.588 -8.766 -6.686 1.00 0.00 C ATOM 312 C ARG A 21 2.942 -8.774 -7.426 1.00 0.00 C ATOM 313 O ARG A 21 2.993 -9.068 -8.622 1.00 0.00 O ATOM 314 CB ARG A 21 1.017 -10.190 -6.533 1.00 0.00 C ATOM 315 CG ARG A 21 2.035 -11.154 -5.896 1.00 0.00 C ATOM 316 CD ARG A 21 1.444 -12.553 -5.666 1.00 0.00 C ATOM 317 NE ARG A 21 2.494 -13.547 -5.366 1.00 0.00 N ATOM 318 CZ ARG A 21 3.248 -13.633 -4.256 1.00 0.00 C ATOM 319 NH1 ARG A 21 3.064 -12.818 -3.214 1.00 0.00 N ATOM 320 NH2 ARG A 21 4.211 -14.557 -4.187 1.00 0.00 N ATOM 0 H ARG A 21 -0.262 -8.373 -7.576 1.00 0.00 H new ATOM 0 HA ARG A 21 1.764 -8.366 -5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.117 -10.156 -5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.721 -10.569 -7.511 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.911 -11.233 -6.540 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.375 -10.744 -4.945 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.732 -12.516 -4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.891 -12.864 -6.552 1.00 0.00 H new ATOM 0 HE ARG A 21 2.667 -14.250 -6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.335 -12.105 -3.246 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.653 -12.908 -2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.369 -15.189 -4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.788 -14.630 -3.349 1.00 0.00 H new ATOM 334 N GLY A 22 4.026 -8.443 -6.707 1.00 0.00 N ATOM 335 CA GLY A 22 5.381 -8.305 -7.241 1.00 0.00 C ATOM 336 C GLY A 22 5.867 -6.849 -7.329 1.00 0.00 C ATOM 337 O GLY A 22 7.069 -6.614 -7.204 1.00 0.00 O ATOM 0 H GLY A 22 3.977 -8.259 -5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.069 -8.871 -6.612 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.417 -8.751 -8.235 1.00 0.00 H new ATOM 341 N ASP A 23 4.966 -5.875 -7.545 1.00 0.00 N ATOM 342 CA ASP A 23 5.287 -4.451 -7.642 1.00 0.00 C ATOM 343 C ASP A 23 5.991 -3.965 -6.365 1.00 0.00 C ATOM 344 O ASP A 23 5.479 -4.148 -5.264 1.00 0.00 O ATOM 345 CB ASP A 23 4.005 -3.625 -7.873 1.00 0.00 C ATOM 346 CG ASP A 23 3.266 -3.900 -9.186 1.00 0.00 C ATOM 347 OD1 ASP A 23 3.765 -4.715 -9.993 1.00 0.00 O ATOM 348 OD2 ASP A 23 2.196 -3.276 -9.360 1.00 0.00 O ATOM 0 H ASP A 23 3.971 -6.067 -7.659 1.00 0.00 H new ATOM 0 HA ASP A 23 5.959 -4.313 -8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.320 -3.812 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.265 -2.567 -7.838 1.00 0.00 H new ATOM 353 N ILE A 24 7.163 -3.340 -6.514 1.00 0.00 N ATOM 354 CA ILE A 24 7.944 -2.776 -5.412 1.00 0.00 C ATOM 355 C ILE A 24 7.347 -1.431 -4.959 1.00 0.00 C ATOM 356 O ILE A 24 7.505 -0.420 -5.638 1.00 0.00 O ATOM 357 CB ILE A 24 9.445 -2.715 -5.793 1.00 0.00 C ATOM 358 CG1 ILE A 24 9.780 -1.899 -7.071 1.00 0.00 C ATOM 359 CG2 ILE A 24 10.301 -2.325 -4.575 1.00 0.00 C ATOM 360 CD1 ILE A 24 10.449 -0.534 -6.854 1.00 0.00 C ATOM 0 H ILE A 24 7.604 -3.210 -7.425 1.00 0.00 H new ATOM 0 HA ILE A 24 7.886 -3.428 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 24 9.715 -3.729 -6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.433 -2.503 -7.701 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.856 -1.742 -7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.351 -2.288 -4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.991 -1.346 -4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.168 -3.065 -3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.633 -0.061 -7.819 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.794 0.101 -6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.396 -0.672 -6.331 1.00 0.00 H new ATOM 372 N LEU A 25 6.655 -1.422 -3.807 1.00 0.00 N ATOM 373 CA LEU A 25 6.113 -0.223 -3.166 1.00 0.00 C ATOM 374 C LEU A 25 7.172 0.339 -2.210 1.00 0.00 C ATOM 375 O LEU A 25 7.416 -0.230 -1.145 1.00 0.00 O ATOM 376 CB LEU A 25 4.806 -0.532 -2.404 1.00 0.00 C ATOM 377 CG LEU A 25 3.547 -0.766 -3.265 1.00 0.00 C ATOM 378 CD1 LEU A 25 3.181 0.455 -4.122 1.00 0.00 C ATOM 379 CD2 LEU A 25 3.660 -2.015 -4.143 1.00 0.00 C ATOM 0 H LEU A 25 6.454 -2.275 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 25 5.871 0.514 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.970 -1.418 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.605 0.294 -1.722 1.00 0.00 H new ATOM 0 HG LEU A 25 2.738 -0.928 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.288 0.234 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.988 1.310 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.007 0.688 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.748 -2.132 -4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.511 -1.911 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.802 -2.892 -3.512 1.00 0.00 H new ATOM 391 N LYS A 26 7.786 1.468 -2.587 1.00 0.00 N ATOM 392 CA LYS A 26 8.780 2.173 -1.784 1.00 0.00 C ATOM 393 C LYS A 26 8.068 3.192 -0.886 1.00 0.00 C ATOM 394 O LYS A 26 7.471 4.144 -1.388 1.00 0.00 O ATOM 395 CB LYS A 26 9.827 2.843 -2.695 1.00 0.00 C ATOM 396 CG LYS A 26 10.544 1.816 -3.588 1.00 0.00 C ATOM 397 CD LYS A 26 11.802 2.384 -4.267 1.00 0.00 C ATOM 398 CE LYS A 26 11.522 3.439 -5.349 1.00 0.00 C ATOM 399 NZ LYS A 26 10.846 2.864 -6.527 1.00 0.00 N ATOM 0 H LYS A 26 7.597 1.923 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 26 9.314 1.467 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.340 3.592 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.560 3.367 -2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.822 0.951 -2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.853 1.463 -4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.443 2.826 -3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.360 1.562 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.904 4.232 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.461 3.897 -5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.990 3.486 -7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.242 1.924 -6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.828 2.776 -6.334 1.00 0.00 H new ATOM 413 N VAL A 27 8.154 3.011 0.441 1.00 0.00 N ATOM 414 CA VAL A 27 7.492 3.853 1.427 1.00 0.00 C ATOM 415 C VAL A 27 8.423 5.017 1.779 1.00 0.00 C ATOM 416 O VAL A 27 9.616 4.834 2.024 1.00 0.00 O ATOM 417 CB VAL A 27 7.082 3.042 2.673 1.00 0.00 C ATOM 418 CG1 VAL A 27 5.838 2.195 2.386 1.00 0.00 C ATOM 419 CG2 VAL A 27 8.176 2.138 3.252 1.00 0.00 C ATOM 0 H VAL A 27 8.699 2.257 0.859 1.00 0.00 H new ATOM 0 HA VAL A 27 6.568 4.252 1.009 1.00 0.00 H new ATOM 0 HB VAL A 27 6.876 3.798 3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.567 1.632 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.011 2.847 2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.049 1.503 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.789 1.611 4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.486 1.414 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.032 2.745 3.545 1.00 0.00 H new ATOM 429 N LEU A 28 7.854 6.227 1.757 1.00 0.00 N ATOM 430 CA LEU A 28 8.583 7.487 1.841 1.00 0.00 C ATOM 431 C LEU A 28 8.729 7.902 3.313 1.00 0.00 C ATOM 432 O LEU A 28 9.803 7.732 3.890 1.00 0.00 O ATOM 433 CB LEU A 28 7.891 8.540 0.945 1.00 0.00 C ATOM 434 CG LEU A 28 7.638 8.064 -0.507 1.00 0.00 C ATOM 435 CD1 LEU A 28 6.934 9.166 -1.314 1.00 0.00 C ATOM 436 CD2 LEU A 28 8.925 7.639 -1.232 1.00 0.00 C ATOM 0 H LEU A 28 6.845 6.355 1.678 1.00 0.00 H new ATOM 0 HA LEU A 28 9.598 7.383 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.938 8.817 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.505 9.440 0.919 1.00 0.00 H new ATOM 0 HG LEU A 28 6.999 7.183 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.762 8.818 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.979 9.405 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.561 10.058 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.683 7.316 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.614 8.483 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.393 6.817 -0.691 1.00 0.00 H new ATOM 448 N ASN A 29 7.660 8.428 3.927 1.00 0.00 N ATOM 449 CA ASN A 29 7.582 8.703 5.362 1.00 0.00 C ATOM 450 C ASN A 29 6.129 8.591 5.857 1.00 0.00 C ATOM 451 O ASN A 29 5.188 8.822 5.097 1.00 0.00 O ATOM 452 CB ASN A 29 8.198 10.087 5.655 1.00 0.00 C ATOM 453 CG ASN A 29 8.252 10.443 7.145 1.00 0.00 C ATOM 454 OD1 ASN A 29 7.803 11.511 7.549 1.00 0.00 O ATOM 455 ND2 ASN A 29 8.809 9.560 7.975 1.00 0.00 N ATOM 0 H ASN A 29 6.808 8.679 3.425 1.00 0.00 H new ATOM 0 HA ASN A 29 8.158 7.958 5.911 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.209 10.117 5.248 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.621 10.849 5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.869 9.765 8.972 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.174 8.679 7.612 1.00 0.00 H new ATOM 462 N GLU A 30 5.957 8.281 7.150 1.00 0.00 N ATOM 463 CA GLU A 30 4.678 8.323 7.856 1.00 0.00 C ATOM 464 C GLU A 30 4.105 9.753 7.831 1.00 0.00 C ATOM 465 O GLU A 30 4.849 10.730 7.928 1.00 0.00 O ATOM 466 CB GLU A 30 4.853 7.814 9.300 1.00 0.00 C ATOM 467 CG GLU A 30 5.144 6.302 9.391 1.00 0.00 C ATOM 468 CD GLU A 30 6.488 5.865 8.793 1.00 0.00 C ATOM 469 OE1 GLU A 30 7.463 6.637 8.927 1.00 0.00 O ATOM 470 OE2 GLU A 30 6.519 4.759 8.209 1.00 0.00 O ATOM 0 H GLU A 30 6.730 7.986 7.747 1.00 0.00 H new ATOM 0 HA GLU A 30 3.968 7.668 7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.668 8.361 9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.949 8.036 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.115 6.004 10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.345 5.762 8.884 1.00 0.00 H new ATOM 477 N GLU A 31 2.780 9.861 7.682 1.00 0.00 N ATOM 478 CA GLU A 31 2.051 11.104 7.419 1.00 0.00 C ATOM 479 C GLU A 31 0.975 11.393 8.473 1.00 0.00 C ATOM 480 O GLU A 31 0.929 12.490 9.030 1.00 0.00 O ATOM 481 CB GLU A 31 1.527 11.114 5.977 1.00 0.00 C ATOM 482 CG GLU A 31 0.428 10.101 5.644 1.00 0.00 C ATOM 483 CD GLU A 31 0.825 8.643 5.891 1.00 0.00 C ATOM 484 OE1 GLU A 31 1.460 8.057 4.989 1.00 0.00 O ATOM 485 OE2 GLU A 31 0.516 8.156 7.001 1.00 0.00 O ATOM 0 H GLU A 31 2.163 9.051 7.744 1.00 0.00 H new ATOM 0 HA GLU A 31 2.747 11.938 7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.149 12.113 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.368 10.938 5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.456 10.331 6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.147 10.217 4.597 1.00 0.00 H new ATOM 492 N SER A 32 0.113 10.406 8.743 1.00 0.00 N ATOM 493 CA SER A 32 -0.987 10.487 9.700 1.00 0.00 C ATOM 494 C SER A 32 -1.411 9.073 10.114 1.00 0.00 C ATOM 495 O SER A 32 -0.987 8.573 11.157 1.00 0.00 O ATOM 496 CB SER A 32 -2.138 11.331 9.114 1.00 0.00 C ATOM 497 OG SER A 32 -3.242 11.373 9.999 1.00 0.00 O ATOM 0 H SER A 32 0.168 9.498 8.282 1.00 0.00 H new ATOM 0 HA SER A 32 -0.667 10.998 10.608 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.787 12.344 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.450 10.911 8.158 1.00 0.00 H new ATOM 0 HG SER A 32 -3.957 11.915 9.605 1.00 0.00 H new ATOM 503 N ASP A 33 -2.249 8.433 9.292 1.00 0.00 N ATOM 504 CA ASP A 33 -2.788 7.099 9.519 1.00 0.00 C ATOM 505 C ASP A 33 -1.771 6.029 9.084 1.00 0.00 C ATOM 506 O ASP A 33 -1.955 5.371 8.065 1.00 0.00 O ATOM 507 CB ASP A 33 -4.168 6.980 8.838 1.00 0.00 C ATOM 508 CG ASP A 33 -4.153 7.216 7.324 1.00 0.00 C ATOM 509 OD1 ASP A 33 -3.997 8.389 6.917 1.00 0.00 O ATOM 510 OD2 ASP A 33 -4.331 6.222 6.588 1.00 0.00 O ATOM 0 H ASP A 33 -2.579 8.849 8.421 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.953 6.926 10.582 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.571 5.986 9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.849 7.696 9.298 1.00 0.00 H new ATOM 515 N GLN A 34 -0.708 5.843 9.885 1.00 0.00 N ATOM 516 CA GLN A 34 0.398 4.903 9.673 1.00 0.00 C ATOM 517 C GLN A 34 -0.020 3.476 9.256 1.00 0.00 C ATOM 518 O GLN A 34 0.753 2.784 8.592 1.00 0.00 O ATOM 519 CB GLN A 34 1.293 4.892 10.924 1.00 0.00 C ATOM 520 CG GLN A 34 0.586 4.335 12.175 1.00 0.00 C ATOM 521 CD GLN A 34 1.470 4.346 13.426 1.00 0.00 C ATOM 522 OE1 GLN A 34 2.673 4.583 13.360 1.00 0.00 O ATOM 523 NE2 GLN A 34 0.873 4.082 14.588 1.00 0.00 N ATOM 0 H GLN A 34 -0.594 6.377 10.747 1.00 0.00 H new ATOM 0 HA GLN A 34 0.954 5.268 8.809 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.182 4.294 10.721 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.632 5.908 11.129 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.312 4.922 12.368 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.262 3.313 11.976 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.128 3.888 14.615 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.417 4.074 15.451 1.00 0.00 H new ATOM 532 N ASN A 35 -1.239 3.044 9.624 1.00 0.00 N ATOM 533 CA ASN A 35 -1.907 1.822 9.160 1.00 0.00 C ATOM 534 C ASN A 35 -1.790 1.632 7.634 1.00 0.00 C ATOM 535 O ASN A 35 -1.617 0.507 7.162 1.00 0.00 O ATOM 536 CB ASN A 35 -3.390 1.866 9.575 1.00 0.00 C ATOM 537 CG ASN A 35 -3.569 1.991 11.090 1.00 0.00 C ATOM 538 OD1 ASN A 35 -3.479 3.086 11.639 1.00 0.00 O ATOM 539 ND2 ASN A 35 -3.808 0.875 11.779 1.00 0.00 N ATOM 0 H ASN A 35 -1.811 3.567 10.287 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.409 0.971 9.626 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.877 2.708 9.084 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.889 0.962 9.226 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.922 0.915 12.792 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.877 -0.019 11.293 1.00 0.00 H new ATOM 546 N TRP A 36 -1.882 2.739 6.877 1.00 0.00 N ATOM 547 CA TRP A 36 -1.595 2.818 5.450 1.00 0.00 C ATOM 548 C TRP A 36 -0.502 3.872 5.203 1.00 0.00 C ATOM 549 O TRP A 36 -0.630 5.011 5.650 1.00 0.00 O ATOM 550 CB TRP A 36 -2.855 3.171 4.640 1.00 0.00 C ATOM 551 CG TRP A 36 -4.042 2.254 4.690 1.00 0.00 C ATOM 552 CD1 TRP A 36 -4.665 1.774 5.792 1.00 0.00 C ATOM 553 CD2 TRP A 36 -4.856 1.818 3.565 1.00 0.00 C ATOM 554 NE1 TRP A 36 -5.791 1.067 5.429 1.00 0.00 N ATOM 555 CE2 TRP A 36 -5.972 1.080 4.064 1.00 0.00 C ATOM 556 CE3 TRP A 36 -4.775 2.008 2.168 1.00 0.00 C ATOM 557 CZ2 TRP A 36 -6.966 0.558 3.213 1.00 0.00 C ATOM 558 CZ3 TRP A 36 -5.741 1.455 1.300 1.00 0.00 C ATOM 559 CH2 TRP A 36 -6.845 0.748 1.823 1.00 0.00 C ATOM 0 H TRP A 36 -2.171 3.636 7.267 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.248 1.840 5.118 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.188 4.156 4.966 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.557 3.265 3.596 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.329 1.923 6.807 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.411 0.595 6.087 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.960 2.586 1.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.809 0.020 3.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.635 1.573 0.232 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.597 0.353 1.157 1.00 0.00 H new ATOM 570 N TYR A 37 0.561 3.510 4.473 1.00 0.00 N ATOM 571 CA TYR A 37 1.686 4.407 4.181 1.00 0.00 C ATOM 572 C TYR A 37 1.468 5.127 2.851 1.00 0.00 C ATOM 573 O TYR A 37 1.118 4.471 1.872 1.00 0.00 O ATOM 574 CB TYR A 37 3.002 3.613 4.108 1.00 0.00 C ATOM 575 CG TYR A 37 3.315 2.818 5.356 1.00 0.00 C ATOM 576 CD1 TYR A 37 3.654 3.507 6.537 1.00 0.00 C ATOM 577 CD2 TYR A 37 3.206 1.409 5.361 1.00 0.00 C ATOM 578 CE1 TYR A 37 3.925 2.790 7.720 1.00 0.00 C ATOM 579 CE2 TYR A 37 3.499 0.689 6.540 1.00 0.00 C ATOM 580 CZ TYR A 37 3.863 1.380 7.718 1.00 0.00 C ATOM 581 OH TYR A 37 4.161 0.691 8.858 1.00 0.00 O ATOM 0 H TYR A 37 0.665 2.581 4.066 1.00 0.00 H new ATOM 0 HA TYR A 37 1.746 5.140 4.985 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.956 2.932 3.258 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.821 4.306 3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.706 4.586 6.536 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.900 0.885 4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.180 3.319 8.627 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.445 -0.390 6.542 1.00 0.00 H new ATOM 0 HH TYR A 37 3.929 1.235 9.639 1.00 0.00 H new ATOM 591 N LYS A 38 1.791 6.427 2.762 1.00 0.00 N ATOM 592 CA LYS A 38 1.656 7.159 1.506 1.00 0.00 C ATOM 593 C LYS A 38 2.971 6.985 0.739 1.00 0.00 C ATOM 594 O LYS A 38 3.874 7.821 0.776 1.00 0.00 O ATOM 595 CB LYS A 38 1.279 8.636 1.716 1.00 0.00 C ATOM 596 CG LYS A 38 0.849 9.219 0.357 1.00 0.00 C ATOM 597 CD LYS A 38 0.561 10.726 0.400 1.00 0.00 C ATOM 598 CE LYS A 38 0.037 11.232 -0.957 1.00 0.00 C ATOM 599 NZ LYS A 38 1.007 11.012 -2.048 1.00 0.00 N ATOM 0 H LYS A 38 2.144 6.983 3.541 1.00 0.00 H new ATOM 0 HA LYS A 38 0.828 6.754 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.469 8.723 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.127 9.192 2.117 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.633 9.028 -0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.043 8.696 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.173 10.937 1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.470 11.265 0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.897 10.724 -1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.189 12.296 -0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.633 11.414 -2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.907 11.476 -1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.165 9.992 -2.171 1.00 0.00 H new ATOM 613 N ALA A 39 3.049 5.835 0.062 1.00 0.00 N ATOM 614 CA ALA A 39 4.212 5.316 -0.637 1.00 0.00 C ATOM 615 C ALA A 39 4.247 5.790 -2.093 1.00 0.00 C ATOM 616 O ALA A 39 3.417 6.592 -2.526 1.00 0.00 O ATOM 617 CB ALA A 39 4.133 3.782 -0.580 1.00 0.00 C ATOM 0 H ALA A 39 2.248 5.208 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 39 5.123 5.680 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.992 3.354 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.135 3.456 0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.215 3.447 -1.063 1.00 0.00 H new ATOM 623 N GLU A 40 5.204 5.241 -2.849 1.00 0.00 N ATOM 624 CA GLU A 40 5.301 5.372 -4.292 1.00 0.00 C ATOM 625 C GLU A 40 5.910 4.098 -4.891 1.00 0.00 C ATOM 626 O GLU A 40 6.970 3.646 -4.458 1.00 0.00 O ATOM 627 CB GLU A 40 6.082 6.646 -4.659 1.00 0.00 C ATOM 628 CG GLU A 40 6.377 6.699 -6.167 1.00 0.00 C ATOM 629 CD GLU A 40 6.687 8.109 -6.665 1.00 0.00 C ATOM 630 OE1 GLU A 40 7.730 8.647 -6.236 1.00 0.00 O ATOM 631 OE2 GLU A 40 5.876 8.620 -7.468 1.00 0.00 O ATOM 0 H GLU A 40 5.954 4.675 -2.452 1.00 0.00 H new ATOM 0 HA GLU A 40 4.307 5.482 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.508 7.525 -4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.018 6.676 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.222 6.047 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.519 6.307 -6.713 1.00 0.00 H new ATOM 638 N LEU A 41 5.241 3.534 -5.909 1.00 0.00 N ATOM 639 CA LEU A 41 5.718 2.417 -6.714 1.00 0.00 C ATOM 640 C LEU A 41 7.083 2.771 -7.325 1.00 0.00 C ATOM 641 O LEU A 41 8.108 2.190 -6.968 1.00 0.00 O ATOM 642 CB LEU A 41 4.642 2.092 -7.774 1.00 0.00 C ATOM 643 CG LEU A 41 4.702 0.637 -8.251 1.00 0.00 C ATOM 644 CD1 LEU A 41 3.463 0.311 -9.099 1.00 0.00 C ATOM 645 CD2 LEU A 41 5.978 0.296 -9.037 1.00 0.00 C ATOM 0 H LEU A 41 4.319 3.861 -6.198 1.00 0.00 H new ATOM 0 HA LEU A 41 5.872 1.523 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.655 2.293 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.768 2.756 -8.629 1.00 0.00 H new ATOM 0 HG LEU A 41 4.720 0.021 -7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.514 -0.725 -9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.564 0.455 -8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.431 0.971 -9.966 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.949 -0.750 -9.341 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.041 0.930 -9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.850 0.466 -8.406 1.00 0.00 H new ATOM 657 N ASN A 42 7.081 3.776 -8.207 1.00 0.00 N ATOM 658 CA ASN A 42 8.256 4.432 -8.761 1.00 0.00 C ATOM 659 C ASN A 42 7.912 5.821 -9.323 1.00 0.00 C ATOM 660 O ASN A 42 8.628 6.786 -9.061 1.00 0.00 O ATOM 661 CB ASN A 42 8.959 3.531 -9.793 1.00 0.00 C ATOM 662 CG ASN A 42 10.374 4.024 -10.081 1.00 0.00 C ATOM 663 OD1 ASN A 42 11.283 3.805 -9.284 1.00 0.00 O ATOM 664 ND2 ASN A 42 10.567 4.698 -11.213 1.00 0.00 N ATOM 0 H ASN A 42 6.212 4.169 -8.568 1.00 0.00 H new ATOM 0 HA ASN A 42 8.967 4.596 -7.951 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.996 2.507 -9.421 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.382 3.513 -10.717 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.495 5.053 -11.443 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.787 4.860 -11.850 1.00 0.00 H new ATOM 671 N GLY A 43 6.808 5.911 -10.078 1.00 0.00 N ATOM 672 CA GLY A 43 6.192 7.158 -10.533 1.00 0.00 C ATOM 673 C GLY A 43 4.664 7.127 -10.373 1.00 0.00 C ATOM 674 O GLY A 43 3.945 7.588 -11.260 1.00 0.00 O ATOM 0 H GLY A 43 6.303 5.085 -10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.601 7.994 -9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.445 7.329 -11.579 1.00 0.00 H new ATOM 678 N LYS A 44 4.173 6.560 -9.258 1.00 0.00 N ATOM 679 CA LYS A 44 2.759 6.425 -8.907 1.00 0.00 C ATOM 680 C LYS A 44 2.629 6.448 -7.375 1.00 0.00 C ATOM 681 O LYS A 44 2.843 5.420 -6.731 1.00 0.00 O ATOM 682 CB LYS A 44 2.173 5.113 -9.470 1.00 0.00 C ATOM 683 CG LYS A 44 2.256 4.981 -10.997 1.00 0.00 C ATOM 684 CD LYS A 44 1.542 3.702 -11.464 1.00 0.00 C ATOM 685 CE LYS A 44 1.658 3.488 -12.980 1.00 0.00 C ATOM 686 NZ LYS A 44 3.049 3.235 -13.400 1.00 0.00 N ATOM 0 H LYS A 44 4.787 6.165 -8.545 1.00 0.00 H new ATOM 0 HA LYS A 44 2.200 7.253 -9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.697 4.272 -9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.128 5.038 -9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.801 5.852 -11.469 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.300 4.957 -11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.966 2.842 -10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.489 3.755 -11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.032 2.646 -13.276 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.277 4.367 -13.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.065 2.963 -14.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.614 4.098 -13.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.450 2.466 -12.827 1.00 0.00 H new ATOM 700 N ASP A 45 2.293 7.610 -6.797 1.00 0.00 N ATOM 701 CA ASP A 45 2.178 7.838 -5.361 1.00 0.00 C ATOM 702 C ASP A 45 0.755 7.579 -4.822 1.00 0.00 C ATOM 703 O ASP A 45 -0.226 7.696 -5.558 1.00 0.00 O ATOM 704 CB ASP A 45 2.664 9.266 -5.061 1.00 0.00 C ATOM 705 CG ASP A 45 1.749 10.353 -5.631 1.00 0.00 C ATOM 706 OD1 ASP A 45 1.736 10.492 -6.873 1.00 0.00 O ATOM 707 OD2 ASP A 45 1.072 11.016 -4.813 1.00 0.00 O ATOM 0 H ASP A 45 2.087 8.446 -7.344 1.00 0.00 H new ATOM 0 HA ASP A 45 2.806 7.118 -4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.741 9.396 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.666 9.394 -5.470 1.00 0.00 H new ATOM 712 N GLY A 46 0.647 7.250 -3.524 1.00 0.00 N ATOM 713 CA GLY A 46 -0.624 7.092 -2.810 1.00 0.00 C ATOM 714 C GLY A 46 -0.551 6.087 -1.649 1.00 0.00 C ATOM 715 O GLY A 46 0.522 5.585 -1.314 1.00 0.00 O ATOM 0 H GLY A 46 1.461 7.084 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.938 8.061 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.390 6.767 -3.514 1.00 0.00 H new ATOM 719 N PHE A 47 -1.709 5.782 -1.039 1.00 0.00 N ATOM 720 CA PHE A 47 -1.813 5.020 0.210 1.00 0.00 C ATOM 721 C PHE A 47 -1.915 3.503 -0.036 1.00 0.00 C ATOM 722 O PHE A 47 -2.824 3.038 -0.723 1.00 0.00 O ATOM 723 CB PHE A 47 -2.993 5.539 1.056 1.00 0.00 C ATOM 724 CG PHE A 47 -2.746 6.889 1.709 1.00 0.00 C ATOM 725 CD1 PHE A 47 -3.010 8.084 1.001 1.00 0.00 C ATOM 726 CD2 PHE A 47 -2.222 6.954 3.020 1.00 0.00 C ATOM 727 CE1 PHE A 47 -2.761 9.334 1.605 1.00 0.00 C ATOM 728 CE2 PHE A 47 -1.987 8.204 3.629 1.00 0.00 C ATOM 729 CZ PHE A 47 -2.244 9.395 2.917 1.00 0.00 C ATOM 0 H PHE A 47 -2.615 6.066 -1.411 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.891 5.176 0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.876 5.611 0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.218 4.808 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.403 8.040 -0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.001 6.043 3.557 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.966 10.245 1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.610 8.250 4.640 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.045 10.352 3.376 1.00 0.00 H new ATOM 739 N ILE A 48 -0.983 2.740 0.558 1.00 0.00 N ATOM 740 CA ILE A 48 -0.884 1.279 0.523 1.00 0.00 C ATOM 741 C ILE A 48 -1.357 0.721 1.876 1.00 0.00 C ATOM 742 O ILE A 48 -0.913 1.228 2.905 1.00 0.00 O ATOM 743 CB ILE A 48 0.571 0.825 0.208 1.00 0.00 C ATOM 744 CG1 ILE A 48 1.543 0.881 1.410 1.00 0.00 C ATOM 745 CG2 ILE A 48 1.144 1.643 -0.956 1.00 0.00 C ATOM 746 CD1 ILE A 48 2.983 0.465 1.078 1.00 0.00 C ATOM 0 H ILE A 48 -0.233 3.157 1.109 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.519 0.890 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 48 0.489 -0.228 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.553 1.896 1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.163 0.233 2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.162 1.315 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.526 1.497 -1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.151 2.700 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.598 0.533 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.990 -0.561 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.386 1.127 0.312 1.00 0.00 H new ATOM 758 N PRO A 49 -2.213 -0.317 1.918 1.00 0.00 N ATOM 759 CA PRO A 49 -2.602 -0.978 3.160 1.00 0.00 C ATOM 760 C PRO A 49 -1.469 -1.880 3.671 1.00 0.00 C ATOM 761 O PRO A 49 -0.871 -2.621 2.889 1.00 0.00 O ATOM 762 CB PRO A 49 -3.837 -1.806 2.798 1.00 0.00 C ATOM 763 CG PRO A 49 -3.600 -2.169 1.333 1.00 0.00 C ATOM 764 CD PRO A 49 -2.865 -0.947 0.778 1.00 0.00 C ATOM 0 HA PRO A 49 -2.810 -0.264 3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.923 -2.694 3.424 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.756 -1.235 2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.003 -3.075 1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.538 -2.347 0.807 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.134 -1.241 0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.560 -0.259 0.297 1.00 0.00 H new ATOM 772 N LYS A 50 -1.201 -1.852 4.987 1.00 0.00 N ATOM 773 CA LYS A 50 -0.242 -2.751 5.630 1.00 0.00 C ATOM 774 C LYS A 50 -0.862 -4.151 5.821 1.00 0.00 C ATOM 775 O LYS A 50 -1.096 -4.594 6.945 1.00 0.00 O ATOM 776 CB LYS A 50 0.264 -2.108 6.935 1.00 0.00 C ATOM 777 CG LYS A 50 1.514 -2.819 7.477 1.00 0.00 C ATOM 778 CD LYS A 50 2.047 -2.101 8.725 1.00 0.00 C ATOM 779 CE LYS A 50 3.428 -2.647 9.112 1.00 0.00 C ATOM 780 NZ LYS A 50 4.030 -1.864 10.206 1.00 0.00 N ATOM 0 H LYS A 50 -1.648 -1.201 5.633 1.00 0.00 H new ATOM 0 HA LYS A 50 0.630 -2.900 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.493 -1.057 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.526 -2.140 7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.273 -3.854 7.721 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.286 -2.845 6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.113 -1.030 8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.351 -2.235 9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.336 -3.689 9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.086 -2.626 8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.947 -2.279 10.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.171 -0.882 9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.397 -1.877 11.031 1.00 0.00 H new ATOM 794 N ASN A 51 -1.140 -4.835 4.700 1.00 0.00 N ATOM 795 CA ASN A 51 -1.798 -6.142 4.640 1.00 0.00 C ATOM 796 C ASN A 51 -1.511 -6.831 3.294 1.00 0.00 C ATOM 797 O ASN A 51 -1.024 -7.960 3.270 1.00 0.00 O ATOM 798 CB ASN A 51 -3.305 -5.963 4.896 1.00 0.00 C ATOM 799 CG ASN A 51 -4.093 -7.271 4.844 1.00 0.00 C ATOM 800 OD1 ASN A 51 -4.738 -7.579 3.847 1.00 0.00 O ATOM 801 ND2 ASN A 51 -4.053 -8.042 5.928 1.00 0.00 N ATOM 0 H ASN A 51 -0.901 -4.475 3.776 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.399 -6.795 5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.447 -5.502 5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.712 -5.274 4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.570 -8.921 5.948 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.506 -7.754 6.739 1.00 0.00 H new ATOM 808 N TYR A 52 -1.791 -6.142 2.176 1.00 0.00 N ATOM 809 CA TYR A 52 -1.532 -6.615 0.812 1.00 0.00 C ATOM 810 C TYR A 52 -0.041 -6.505 0.405 1.00 0.00 C ATOM 811 O TYR A 52 0.273 -6.678 -0.772 1.00 0.00 O ATOM 812 CB TYR A 52 -2.447 -5.853 -0.176 1.00 0.00 C ATOM 813 CG TYR A 52 -3.926 -6.232 -0.159 1.00 0.00 C ATOM 814 CD1 TYR A 52 -4.723 -6.006 0.988 1.00 0.00 C ATOM 815 CD2 TYR A 52 -4.524 -6.792 -1.313 1.00 0.00 C ATOM 816 CE1 TYR A 52 -6.068 -6.430 1.012 1.00 0.00 C ATOM 817 CE2 TYR A 52 -5.882 -7.173 -1.305 1.00 0.00 C ATOM 818 CZ TYR A 52 -6.655 -6.991 -0.140 1.00 0.00 C ATOM 819 OH TYR A 52 -7.971 -7.347 -0.135 1.00 0.00 O ATOM 0 H TYR A 52 -2.216 -5.215 2.200 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.765 -7.679 0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.365 -4.787 0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.066 -6.009 -1.185 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.300 -5.507 1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.935 -6.929 -2.208 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.650 -6.324 1.916 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.329 -7.603 -2.189 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.214 -7.691 0.750 1.00 0.00 H new ATOM 829 N ILE A 53 0.879 -6.241 1.351 1.00 0.00 N ATOM 830 CA ILE A 53 2.312 -6.030 1.121 1.00 0.00 C ATOM 831 C ILE A 53 3.178 -6.941 2.010 1.00 0.00 C ATOM 832 O ILE A 53 2.743 -7.399 3.068 1.00 0.00 O ATOM 833 CB ILE A 53 2.671 -4.538 1.303 1.00 0.00 C ATOM 834 CG1 ILE A 53 2.473 -4.067 2.758 1.00 0.00 C ATOM 835 CG2 ILE A 53 1.891 -3.675 0.295 1.00 0.00 C ATOM 836 CD1 ILE A 53 2.842 -2.596 2.976 1.00 0.00 C ATOM 0 H ILE A 53 0.629 -6.167 2.337 1.00 0.00 H new ATOM 0 HA ILE A 53 2.532 -6.308 0.090 1.00 0.00 H new ATOM 0 HB ILE A 53 3.734 -4.416 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.432 -4.219 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.078 -4.688 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.153 -2.626 0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.146 -3.981 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.821 -3.806 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.679 -2.331 4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.891 -2.442 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.219 -1.967 2.341 1.00 0.00 H new ATOM 848 N GLU A 54 4.414 -7.191 1.556 1.00 0.00 N ATOM 849 CA GLU A 54 5.429 -8.033 2.180 1.00 0.00 C ATOM 850 C GLU A 54 6.506 -7.105 2.763 1.00 0.00 C ATOM 851 O GLU A 54 7.360 -6.609 2.025 1.00 0.00 O ATOM 852 CB GLU A 54 6.007 -9.003 1.122 1.00 0.00 C ATOM 853 CG GLU A 54 6.666 -10.244 1.745 1.00 0.00 C ATOM 854 CD GLU A 54 5.632 -11.277 2.202 1.00 0.00 C ATOM 855 OE1 GLU A 54 5.181 -12.055 1.332 1.00 0.00 O ATOM 856 OE2 GLU A 54 5.297 -11.266 3.406 1.00 0.00 O ATOM 0 H GLU A 54 4.748 -6.780 0.684 1.00 0.00 H new ATOM 0 HA GLU A 54 5.013 -8.641 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.208 -9.320 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.741 -8.474 0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.337 -10.701 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.276 -9.941 2.596 1.00 0.00 H new ATOM 863 N MET A 55 6.438 -6.828 4.075 1.00 0.00 N ATOM 864 CA MET A 55 7.288 -5.855 4.763 1.00 0.00 C ATOM 865 C MET A 55 8.755 -6.320 4.780 1.00 0.00 C ATOM 866 O MET A 55 9.166 -7.079 5.657 1.00 0.00 O ATOM 867 CB MET A 55 6.728 -5.591 6.173 1.00 0.00 C ATOM 868 CG MET A 55 7.498 -4.481 6.908 1.00 0.00 C ATOM 869 SD MET A 55 6.826 -3.983 8.520 1.00 0.00 S ATOM 870 CE MET A 55 7.070 -5.505 9.471 1.00 0.00 C ATOM 0 H MET A 55 5.773 -7.288 4.697 1.00 0.00 H new ATOM 0 HA MET A 55 7.277 -4.910 4.220 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.677 -5.312 6.098 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.773 -6.510 6.758 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.526 -4.813 7.052 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.534 -3.602 6.264 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.805 -5.329 10.514 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.437 -6.294 9.064 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.115 -5.810 9.408 1.00 0.00 H new ATOM 937 N PRO B 3 -8.275 -10.969 1.387 1.00 0.00 N ATOM 938 CA PRO B 3 -7.761 -10.533 2.686 1.00 0.00 C ATOM 939 C PRO B 3 -8.503 -9.304 3.244 1.00 0.00 C ATOM 940 O PRO B 3 -8.826 -8.396 2.477 1.00 0.00 O ATOM 941 CB PRO B 3 -6.276 -10.214 2.462 1.00 0.00 C ATOM 942 CG PRO B 3 -5.905 -11.107 1.281 1.00 0.00 C ATOM 943 CD PRO B 3 -7.178 -11.095 0.435 1.00 0.00 C ATOM 0 HA PRO B 3 -7.910 -11.316 3.429 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -6.120 -9.159 2.235 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.677 -10.442 3.344 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.050 -10.715 0.731 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.642 -12.115 1.603 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -7.173 -10.264 -0.271 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -7.269 -12.010 -0.150 1.00 0.00 H new ATOM 951 N PRO B 4 -8.771 -9.240 4.563 1.00 0.00 N ATOM 952 CA PRO B 4 -9.423 -8.092 5.182 1.00 0.00 C ATOM 953 C PRO B 4 -8.440 -6.910 5.217 1.00 0.00 C ATOM 954 O PRO B 4 -7.420 -6.969 5.903 1.00 0.00 O ATOM 955 CB PRO B 4 -9.823 -8.570 6.585 1.00 0.00 C ATOM 956 CG PRO B 4 -8.764 -9.624 6.918 1.00 0.00 C ATOM 957 CD PRO B 4 -8.463 -10.259 5.557 1.00 0.00 C ATOM 0 HA PRO B 4 -10.300 -7.742 4.638 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -9.816 -7.752 7.305 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -10.827 -8.993 6.594 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -7.874 -9.175 7.359 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -9.137 -10.359 7.632 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -7.419 -10.565 5.491 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -9.068 -11.152 5.401 1.00 0.00 H new ATOM 965 N VAL B 5 -8.751 -5.837 4.475 1.00 0.00 N ATOM 966 CA VAL B 5 -7.898 -4.656 4.358 1.00 0.00 C ATOM 967 C VAL B 5 -8.092 -3.748 5.595 1.00 0.00 C ATOM 968 O VAL B 5 -9.231 -3.385 5.895 1.00 0.00 O ATOM 969 CB VAL B 5 -8.149 -3.942 3.007 1.00 0.00 C ATOM 970 CG1 VAL B 5 -9.465 -3.152 2.931 1.00 0.00 C ATOM 971 CG2 VAL B 5 -6.967 -3.027 2.656 1.00 0.00 C ATOM 0 H VAL B 5 -9.613 -5.769 3.935 1.00 0.00 H new ATOM 0 HA VAL B 5 -6.847 -4.946 4.349 1.00 0.00 H new ATOM 0 HB VAL B 5 -8.242 -4.743 2.273 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -9.554 -2.687 1.949 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.305 -3.828 3.090 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.471 -2.380 3.700 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -7.160 -2.533 1.704 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -6.844 -2.276 3.436 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -6.057 -3.622 2.579 1.00 0.00 H new ATOM 981 N PRO B 6 -7.023 -3.389 6.340 1.00 0.00 N ATOM 982 CA PRO B 6 -7.086 -2.508 7.510 1.00 0.00 C ATOM 983 C PRO B 6 -7.822 -1.179 7.257 1.00 0.00 C ATOM 984 O PRO B 6 -7.859 -0.708 6.121 1.00 0.00 O ATOM 985 CB PRO B 6 -5.624 -2.245 7.900 1.00 0.00 C ATOM 986 CG PRO B 6 -4.917 -3.523 7.460 1.00 0.00 C ATOM 987 CD PRO B 6 -5.669 -3.900 6.183 1.00 0.00 C ATOM 0 HA PRO B 6 -7.662 -2.991 8.299 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -5.223 -1.367 7.394 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -5.517 -2.072 8.971 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -3.857 -3.355 7.271 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -4.986 -4.305 8.216 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -5.189 -3.465 5.306 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -5.675 -4.981 6.040 1.00 0.00 H new ATOM 995 N PRO B 7 -8.381 -0.539 8.301 1.00 0.00 N ATOM 996 CA PRO B 7 -8.962 0.796 8.207 1.00 0.00 C ATOM 997 C PRO B 7 -7.863 1.875 8.188 1.00 0.00 C ATOM 998 O PRO B 7 -6.778 1.680 8.738 1.00 0.00 O ATOM 999 CB PRO B 7 -9.839 0.922 9.459 1.00 0.00 C ATOM 1000 CG PRO B 7 -9.061 0.107 10.495 1.00 0.00 C ATOM 1001 CD PRO B 7 -8.489 -1.045 9.663 1.00 0.00 C ATOM 0 HA PRO B 7 -9.533 0.936 7.289 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -9.959 1.961 9.767 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -10.839 0.521 9.295 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -8.273 0.696 10.964 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -9.708 -0.254 11.294 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -7.516 -1.355 10.043 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -9.140 -1.918 9.705 1.00 0.00 H new ATOM 1009 N ARG B 8 -8.162 3.028 7.573 1.00 0.00 N ATOM 1010 CA ARG B 8 -7.334 4.232 7.641 1.00 0.00 C ATOM 1011 C ARG B 8 -7.675 4.997 8.926 1.00 0.00 C ATOM 1012 O ARG B 8 -6.879 5.046 9.863 1.00 0.00 O ATOM 1013 CB ARG B 8 -7.525 5.097 6.379 1.00 0.00 C ATOM 1014 CG ARG B 8 -6.881 4.446 5.143 1.00 0.00 C ATOM 1015 CD ARG B 8 -6.774 5.410 3.954 1.00 0.00 C ATOM 1016 NE ARG B 8 -5.894 6.541 4.289 1.00 0.00 N ATOM 1017 CZ ARG B 8 -5.704 7.663 3.582 1.00 0.00 C ATOM 1018 NH1 ARG B 8 -6.188 7.793 2.343 1.00 0.00 N ATOM 1019 NH2 ARG B 8 -5.020 8.666 4.137 1.00 0.00 N ATOM 0 H ARG B 8 -9.001 3.148 7.006 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.279 3.958 7.672 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -8.589 5.248 6.198 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -7.087 6.082 6.542 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -5.886 4.086 5.404 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -7.468 3.576 4.848 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -6.384 4.882 3.084 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -7.764 5.778 3.686 1.00 0.00 H new ATOM 0 HE ARG B 8 -5.368 6.462 5.159 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -6.714 7.029 1.918 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -6.032 8.656 1.822 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -4.652 8.570 5.084 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -4.865 9.528 3.614 1.00 0.00 H new ATOM 1033 N ARG B 9 -8.883 5.569 8.962 1.00 0.00 N ATOM 1034 CA ARG B 9 -9.457 6.288 10.096 1.00 0.00 C ATOM 1035 C ARG B 9 -10.992 6.216 10.026 1.00 0.00 C ATOM 1036 O ARG B 9 -11.569 6.314 8.942 1.00 0.00 O ATOM 1037 CB ARG B 9 -8.953 7.743 10.098 1.00 0.00 C ATOM 1038 CG ARG B 9 -9.496 8.542 11.294 1.00 0.00 C ATOM 1039 CD ARG B 9 -8.895 9.952 11.336 1.00 0.00 C ATOM 1040 NE ARG B 9 -9.461 10.728 12.452 1.00 0.00 N ATOM 1041 CZ ARG B 9 -9.135 11.988 12.784 1.00 0.00 C ATOM 1042 NH1 ARG B 9 -8.210 12.671 12.100 1.00 0.00 N ATOM 1043 NH2 ARG B 9 -9.744 12.575 13.819 1.00 0.00 N ATOM 0 H ARG B 9 -9.514 5.540 8.161 1.00 0.00 H new ATOM 0 HA ARG B 9 -9.141 5.826 11.031 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.863 7.749 10.124 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -9.253 8.231 9.171 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -10.582 8.608 11.228 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -9.265 8.017 12.221 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.812 9.888 11.444 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -9.092 10.464 10.394 1.00 0.00 H new ATOM 0 HE ARG B 9 -10.166 10.266 13.026 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -7.736 12.236 11.308 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -7.978 13.627 12.370 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -10.451 12.066 14.350 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -9.502 13.532 14.077 1.00 0.00 H new ATOM 1057 N ARG B 10 -11.638 6.049 11.189 1.00 0.00 N ATOM 1058 CA ARG B 10 -13.090 6.014 11.366 1.00 0.00 C ATOM 1059 C ARG B 10 -13.526 7.181 12.268 1.00 0.00 C ATOM 1060 O ARG B 10 -14.464 7.901 11.863 1.00 0.00 O ATOM 1061 CB ARG B 10 -13.518 4.658 11.962 1.00 0.00 C ATOM 1062 CG ARG B 10 -13.057 3.428 11.156 1.00 0.00 C ATOM 1063 CD ARG B 10 -13.598 3.411 9.719 1.00 0.00 C ATOM 1064 NE ARG B 10 -13.196 2.181 9.014 1.00 0.00 N ATOM 1065 CZ ARG B 10 -13.211 1.987 7.683 1.00 0.00 C ATOM 1066 NH1 ARG B 10 -13.621 2.944 6.843 1.00 0.00 N ATOM 1067 NH2 ARG B 10 -12.810 0.815 7.182 1.00 0.00 N ATOM 1068 OXT ARG B 10 -12.915 7.335 13.350 1.00 0.00 O ATOM 0 H ARG B 10 -11.137 5.930 12.069 1.00 0.00 H new ATOM 0 HA ARG B 10 -13.580 6.124 10.398 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -13.123 4.581 12.975 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -14.605 4.638 12.041 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -11.968 3.407 11.128 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -13.380 2.523 11.670 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -14.685 3.485 9.736 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -13.228 4.281 9.178 1.00 0.00 H new ATOM 0 HE ARG B 10 -12.876 1.403 9.590 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -13.931 3.844 7.208 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -13.623 2.773 5.837 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -12.495 0.074 7.808 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -12.819 0.662 6.174 1.00 0.00 H new