USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 42 THR OG1 : rot 180:sc= 1.04 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -166:sc= 2.46 (180deg=1.04) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 76 SER OG : rot -0:sc= 0.34 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 53:sc= 0.874 USER MOD Single : A 12 MET CE :methyl -112:sc= -2.2 (180deg=-2.83) USER MOD Single : A 13 THR OG1 : rot -20:sc= 0.0845 USER MOD Single : A 19 ASN : amide:sc= 0.237 X(o=0.24,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.12 K(o=1.1,f=-1.6) USER MOD Single : A 37 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.056) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.978 K(o=0.98,f=-0.092) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc=-0.000969 (180deg=-0.0952) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0341 USER MOD Single : A 58 LYS NZ :NH3+ -154:sc= 2.4 (180deg=1.96) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 90:sc= 1.21 USER MOD Single : A 67 LYS NZ :NH3+ -146:sc= 0.827 (180deg=-0.537) USER MOD Single : A 69 LYS NZ :NH3+ -137:sc= 0.0718 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.523 13.450 10.983 1.00 10.00 N ATOM 2 CA MET A 1 -0.639 14.504 10.457 1.00 10.00 C ATOM 3 C MET A 1 0.526 13.818 9.749 1.00 10.00 C ATOM 4 O MET A 1 1.201 13.015 10.383 1.00 10.00 O ATOM 5 CB MET A 1 -0.122 15.406 11.590 1.00 10.00 C ATOM 6 CG MET A 1 -1.168 16.414 12.088 1.00 10.00 C ATOM 7 SD MET A 1 -0.612 17.393 13.507 1.00 10.00 S ATOM 8 CE MET A 1 -2.003 18.531 13.689 1.00 10.00 C ATOM 0 H1 MET A 1 -2.330 13.886 11.473 1.00 10.00 H new ATOM 0 H2 MET A 1 -1.871 12.864 10.197 1.00 10.00 H new ATOM 0 H3 MET A 1 -0.993 12.854 11.651 1.00 10.00 H new ATOM 0 HA MET A 1 -1.189 15.141 9.764 1.00 10.00 H new ATOM 0 HB2 MET A 1 0.198 14.782 12.425 1.00 10.00 H new ATOM 0 HB3 MET A 1 0.757 15.948 11.242 1.00 10.00 H new ATOM 0 HG2 MET A 1 -1.429 17.088 11.272 1.00 10.00 H new ATOM 0 HG3 MET A 1 -2.077 15.877 12.361 1.00 10.00 H new ATOM 0 HE1 MET A 1 -1.815 19.205 14.525 1.00 10.00 H new ATOM 0 HE2 MET A 1 -2.120 19.112 12.774 1.00 10.00 H new ATOM 0 HE3 MET A 1 -2.915 17.964 13.878 1.00 10.00 H new ATOM 20 N THR A 2 0.688 14.075 8.450 1.00 10.00 N ATOM 21 CA THR A 2 1.657 13.495 7.524 1.00 10.00 C ATOM 22 C THR A 2 1.197 13.952 6.137 1.00 10.00 C ATOM 23 O THR A 2 0.200 14.672 6.029 1.00 10.00 O ATOM 24 CB THR A 2 1.772 11.959 7.668 1.00 10.00 C ATOM 25 OG1 THR A 2 2.532 11.342 6.653 1.00 10.00 O ATOM 26 CG2 THR A 2 0.416 11.250 7.649 1.00 10.00 C ATOM 0 H THR A 2 0.091 14.755 7.980 1.00 10.00 H new ATOM 0 HA THR A 2 2.673 13.834 7.728 1.00 10.00 H new ATOM 0 HB THR A 2 2.265 11.851 8.634 1.00 10.00 H new ATOM 0 HG1 THR A 2 3.406 11.780 6.587 1.00 10.00 H new ATOM 0 HG21 THR A 2 0.566 10.175 7.754 1.00 10.00 H new ATOM 0 HG22 THR A 2 -0.196 11.613 8.474 1.00 10.00 H new ATOM 0 HG23 THR A 2 -0.089 11.455 6.705 1.00 10.00 H new ATOM 34 N GLU A 3 1.928 13.561 5.103 1.00 10.00 N ATOM 35 CA GLU A 3 1.616 13.757 3.714 1.00 10.00 C ATOM 36 C GLU A 3 0.685 12.627 3.268 1.00 10.00 C ATOM 37 O GLU A 3 0.116 11.897 4.077 1.00 10.00 O ATOM 38 CB GLU A 3 2.944 13.782 2.934 1.00 10.00 C ATOM 39 CG GLU A 3 3.792 12.517 3.163 1.00 10.00 C ATOM 40 CD GLU A 3 4.819 12.734 4.273 1.00 10.00 C ATOM 41 OE1 GLU A 3 4.417 12.658 5.459 1.00 10.00 O ATOM 42 OE2 GLU A 3 5.976 13.038 3.917 1.00 10.00 O ATOM 0 H GLU A 3 2.811 13.067 5.232 1.00 10.00 H new ATOM 0 HA GLU A 3 1.099 14.699 3.529 1.00 10.00 H new ATOM 0 HB2 GLU A 3 2.733 13.885 1.870 1.00 10.00 H new ATOM 0 HB3 GLU A 3 3.519 14.659 3.232 1.00 10.00 H new ATOM 0 HG2 GLU A 3 3.141 11.682 3.424 1.00 10.00 H new ATOM 0 HG3 GLU A 3 4.303 12.246 2.239 1.00 10.00 H new ATOM 49 N LYS A 4 0.549 12.505 1.955 1.00 10.00 N ATOM 50 CA LYS A 4 -0.203 11.492 1.248 1.00 10.00 C ATOM 51 C LYS A 4 0.630 11.103 0.029 1.00 10.00 C ATOM 52 O LYS A 4 1.216 11.975 -0.614 1.00 10.00 O ATOM 53 CB LYS A 4 -1.523 12.087 0.760 1.00 10.00 C ATOM 54 CG LYS A 4 -2.481 12.539 1.872 1.00 10.00 C ATOM 55 CD LYS A 4 -3.070 13.891 1.462 1.00 10.00 C ATOM 56 CE LYS A 4 -4.121 14.391 2.451 1.00 10.00 C ATOM 57 NZ LYS A 4 -4.855 15.534 1.871 1.00 10.00 N ATOM 0 H LYS A 4 0.996 13.162 1.315 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.409 10.637 1.892 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -1.304 12.942 0.120 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -2.031 11.347 0.142 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -3.274 11.805 2.015 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.951 12.625 2.821 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -2.268 14.626 1.385 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.518 13.804 0.472 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -4.816 13.587 2.694 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -3.642 14.691 3.383 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -5.568 15.869 2.550 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -4.188 16.304 1.661 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -5.326 15.235 0.993 1.00 10.00 H new ATOM 71 N ALA A 5 0.671 9.814 -0.286 1.00 10.00 N ATOM 72 CA ALA A 5 1.281 9.248 -1.479 1.00 10.00 C ATOM 73 C ALA A 5 0.254 8.383 -2.205 1.00 10.00 C ATOM 74 O ALA A 5 -0.655 7.871 -1.551 1.00 10.00 O ATOM 75 CB ALA A 5 2.483 8.429 -1.048 1.00 10.00 C ATOM 0 H ALA A 5 0.258 9.101 0.315 1.00 10.00 H new ATOM 0 HA ALA A 5 1.608 10.030 -2.164 1.00 10.00 H new ATOM 0 HB1 ALA A 5 2.960 7.993 -1.926 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.195 9.072 -0.531 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.159 7.633 -0.377 1.00 10.00 H new ATOM 81 N GLU A 6 0.373 8.208 -3.528 1.00 10.00 N ATOM 82 CA GLU A 6 -0.611 7.502 -4.317 1.00 10.00 C ATOM 83 C GLU A 6 0.195 6.441 -5.032 1.00 10.00 C ATOM 84 O GLU A 6 1.186 6.781 -5.687 1.00 10.00 O ATOM 85 CB GLU A 6 -1.260 8.455 -5.326 1.00 10.00 C ATOM 86 CG GLU A 6 -2.736 8.750 -5.056 1.00 10.00 C ATOM 87 CD GLU A 6 -3.371 9.384 -6.290 1.00 10.00 C ATOM 88 OE1 GLU A 6 -3.822 8.601 -7.156 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.347 10.628 -6.374 1.00 10.00 O ATOM 0 H GLU A 6 1.162 8.558 -4.071 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.420 7.084 -3.718 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -0.708 9.395 -5.327 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -1.164 8.028 -6.324 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -3.259 7.829 -4.799 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -2.832 9.420 -4.202 1.00 10.00 H new ATOM 96 N PHE A 7 -0.196 5.179 -4.885 1.00 10.00 N ATOM 97 CA PHE A 7 0.461 4.053 -5.514 1.00 10.00 C ATOM 98 C PHE A 7 -0.547 3.268 -6.330 1.00 10.00 C ATOM 99 O PHE A 7 -1.735 3.281 -6.014 1.00 10.00 O ATOM 100 CB PHE A 7 1.096 3.153 -4.463 1.00 10.00 C ATOM 101 CG PHE A 7 1.859 3.858 -3.362 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.699 4.938 -3.669 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.795 3.389 -2.041 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.435 5.579 -2.669 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.555 4.017 -1.042 1.00 10.00 C ATOM 106 CZ PHE A 7 3.363 5.121 -1.347 1.00 10.00 C ATOM 0 H PHE A 7 -0.996 4.912 -4.312 1.00 10.00 H new ATOM 0 HA PHE A 7 1.247 4.424 -6.171 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.311 2.551 -4.006 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.775 2.464 -4.965 1.00 10.00 H new ATOM 0 HD1 PHE A 7 2.778 5.279 -4.691 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.164 2.548 -1.794 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.058 6.426 -2.915 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.517 3.646 -0.028 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.926 5.615 -0.569 1.00 10.00 H new ATOM 116 N ASP A 8 -0.046 2.595 -7.363 1.00 10.00 N ATOM 117 CA ASP A 8 -0.796 1.907 -8.396 1.00 10.00 C ATOM 118 C ASP A 8 -0.604 0.427 -8.103 1.00 10.00 C ATOM 119 O ASP A 8 0.546 0.021 -7.908 1.00 10.00 O ATOM 120 CB ASP A 8 -0.153 2.283 -9.735 1.00 10.00 C ATOM 121 CG ASP A 8 -1.065 2.168 -10.942 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.979 3.019 -11.024 1.00 10.00 O ATOM 123 OD2 ASP A 8 -0.766 1.317 -11.806 1.00 10.00 O ATOM 0 H ASP A 8 0.961 2.514 -7.505 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.856 2.160 -8.427 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.211 3.308 -9.670 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.717 1.646 -9.894 1.00 10.00 H new ATOM 128 N ILE A 9 -1.683 -0.352 -7.990 1.00 10.00 N ATOM 129 CA ILE A 9 -1.578 -1.755 -7.581 1.00 10.00 C ATOM 130 C ILE A 9 -1.856 -2.673 -8.772 1.00 10.00 C ATOM 131 O ILE A 9 -2.597 -2.297 -9.676 1.00 10.00 O ATOM 132 CB ILE A 9 -2.492 -2.064 -6.382 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.402 -1.017 -5.262 1.00 10.00 C ATOM 134 CG2 ILE A 9 -2.103 -3.390 -5.724 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.481 0.045 -5.411 1.00 10.00 C ATOM 0 H ILE A 9 -2.635 -0.037 -8.175 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.558 -1.943 -7.245 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.497 -2.082 -6.803 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -2.503 -1.507 -4.294 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.419 -0.545 -5.280 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.764 -3.585 -4.880 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -2.195 -4.197 -6.451 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -1.073 -3.333 -5.373 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -3.391 0.771 -4.603 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.363 0.551 -6.369 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -4.463 -0.426 -5.367 1.00 10.00 H new ATOM 147 N GLU A 10 -1.239 -3.860 -8.780 1.00 10.00 N ATOM 148 CA GLU A 10 -1.351 -4.846 -9.843 1.00 10.00 C ATOM 149 C GLU A 10 -1.516 -6.236 -9.204 1.00 10.00 C ATOM 150 O GLU A 10 -0.587 -6.732 -8.564 1.00 10.00 O ATOM 151 CB GLU A 10 -0.072 -4.812 -10.699 1.00 10.00 C ATOM 152 CG GLU A 10 0.331 -3.417 -11.229 1.00 10.00 C ATOM 153 CD GLU A 10 1.749 -3.371 -11.794 1.00 10.00 C ATOM 154 OE1 GLU A 10 2.613 -4.065 -11.209 1.00 10.00 O ATOM 155 OE2 GLU A 10 1.980 -2.630 -12.778 1.00 10.00 O ATOM 0 H GLU A 10 -0.631 -4.163 -8.020 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.211 -4.628 -10.477 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.752 -5.210 -10.107 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.206 -5.481 -11.549 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -0.372 -3.114 -12.005 1.00 10.00 H new ATOM 0 HG3 GLU A 10 0.246 -2.691 -10.421 1.00 10.00 H new ATOM 162 N GLY A 11 -2.667 -6.884 -9.407 1.00 10.00 N ATOM 163 CA GLY A 11 -2.866 -8.309 -9.113 1.00 10.00 C ATOM 164 C GLY A 11 -3.908 -8.621 -8.033 1.00 10.00 C ATOM 165 O GLY A 11 -4.058 -9.779 -7.647 1.00 10.00 O ATOM 0 H GLY A 11 -3.498 -6.429 -9.785 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.160 -8.814 -10.033 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -1.911 -8.735 -8.806 1.00 10.00 H new ATOM 169 N MET A 12 -4.631 -7.621 -7.533 1.00 10.00 N ATOM 170 CA MET A 12 -5.674 -7.788 -6.541 1.00 10.00 C ATOM 171 C MET A 12 -6.913 -8.416 -7.176 1.00 10.00 C ATOM 172 O MET A 12 -7.800 -7.737 -7.684 1.00 10.00 O ATOM 173 CB MET A 12 -5.937 -6.439 -5.875 1.00 10.00 C ATOM 174 CG MET A 12 -6.405 -5.336 -6.839 1.00 10.00 C ATOM 175 SD MET A 12 -5.711 -3.723 -6.453 1.00 10.00 S ATOM 176 CE MET A 12 -6.182 -3.615 -4.720 1.00 10.00 C ATOM 0 H MET A 12 -4.499 -6.651 -7.818 1.00 10.00 H new ATOM 0 HA MET A 12 -5.363 -8.480 -5.758 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.691 -6.571 -5.099 1.00 10.00 H new ATOM 0 HB3 MET A 12 -5.025 -6.108 -5.379 1.00 10.00 H new ATOM 0 HG2 MET A 12 -6.129 -5.610 -7.857 1.00 10.00 H new ATOM 0 HG3 MET A 12 -7.493 -5.274 -6.810 1.00 10.00 H new ATOM 0 HE1 MET A 12 -6.932 -2.834 -4.595 1.00 10.00 H new ATOM 0 HE2 MET A 12 -6.595 -4.570 -4.395 1.00 10.00 H new ATOM 0 HE3 MET A 12 -5.305 -3.375 -4.119 1.00 10.00 H new ATOM 186 N THR A 13 -6.953 -9.741 -7.149 1.00 10.00 N ATOM 187 CA THR A 13 -8.000 -10.533 -7.766 1.00 10.00 C ATOM 188 C THR A 13 -9.332 -10.297 -7.064 1.00 10.00 C ATOM 189 O THR A 13 -10.369 -10.327 -7.725 1.00 10.00 O ATOM 190 CB THR A 13 -7.632 -12.024 -7.793 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.372 -12.520 -6.496 1.00 10.00 O ATOM 192 CG2 THR A 13 -6.418 -12.291 -8.687 1.00 10.00 C ATOM 0 H THR A 13 -6.240 -10.305 -6.686 1.00 10.00 H new ATOM 0 HA THR A 13 -8.104 -10.211 -8.802 1.00 10.00 H new ATOM 0 HB THR A 13 -8.496 -12.546 -8.205 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.161 -11.774 -5.897 1.00 10.00 H new ATOM 0 HG21 THR A 13 -6.189 -13.357 -8.680 1.00 10.00 H new ATOM 0 HG22 THR A 13 -6.640 -11.974 -9.706 1.00 10.00 H new ATOM 0 HG23 THR A 13 -5.560 -11.733 -8.312 1.00 10.00 H new ATOM 200 N CYS A 14 -9.313 -10.064 -5.743 1.00 10.00 N ATOM 201 CA CYS A 14 -10.524 -9.817 -4.986 1.00 10.00 C ATOM 202 C CYS A 14 -10.334 -8.736 -3.927 1.00 10.00 C ATOM 203 O CYS A 14 -9.214 -8.392 -3.556 1.00 10.00 O ATOM 204 CB CYS A 14 -11.015 -11.127 -4.363 1.00 10.00 C ATOM 205 SG CYS A 14 -9.973 -11.745 -3.017 1.00 10.00 S ATOM 0 H CYS A 14 -8.460 -10.044 -5.184 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.283 -9.441 -5.673 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -12.027 -10.980 -3.986 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -11.072 -11.888 -5.142 1.00 10.00 H new ATOM 210 N ALA A 15 -11.443 -8.218 -3.397 1.00 10.00 N ATOM 211 CA ALA A 15 -11.419 -7.206 -2.351 1.00 10.00 C ATOM 212 C ALA A 15 -10.573 -7.646 -1.151 1.00 10.00 C ATOM 213 O ALA A 15 -9.954 -6.812 -0.494 1.00 10.00 O ATOM 214 CB ALA A 15 -12.851 -6.870 -1.928 1.00 10.00 C ATOM 0 H ALA A 15 -12.383 -8.492 -3.684 1.00 10.00 H new ATOM 0 HA ALA A 15 -10.948 -6.308 -2.752 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.831 -6.112 -1.145 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.404 -6.490 -2.787 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.339 -7.769 -1.551 1.00 10.00 H new ATOM 220 N ALA A 16 -10.523 -8.949 -0.855 1.00 10.00 N ATOM 221 CA ALA A 16 -9.701 -9.449 0.238 1.00 10.00 C ATOM 222 C ALA A 16 -8.211 -9.212 -0.030 1.00 10.00 C ATOM 223 O ALA A 16 -7.481 -8.900 0.910 1.00 10.00 O ATOM 224 CB ALA A 16 -10.003 -10.920 0.529 1.00 10.00 C ATOM 0 H ALA A 16 -11.042 -9.669 -1.358 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.957 -8.884 1.134 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.374 -11.265 1.350 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -11.052 -11.028 0.805 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.799 -11.516 -0.360 1.00 10.00 H new ATOM 230 N CYS A 17 -7.753 -9.322 -1.289 1.00 10.00 N ATOM 231 CA CYS A 17 -6.386 -8.950 -1.645 1.00 10.00 C ATOM 232 C CYS A 17 -6.130 -7.524 -1.171 1.00 10.00 C ATOM 233 O CYS A 17 -5.165 -7.251 -0.458 1.00 10.00 O ATOM 234 CB CYS A 17 -6.164 -9.024 -3.163 1.00 10.00 C ATOM 235 SG CYS A 17 -6.084 -10.692 -3.874 1.00 10.00 S ATOM 0 H CYS A 17 -8.313 -9.665 -2.070 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.699 -9.648 -1.167 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -6.969 -8.479 -3.655 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.236 -8.504 -3.400 1.00 10.00 H new ATOM 240 N ALA A 18 -7.023 -6.625 -1.571 1.00 10.00 N ATOM 241 CA ALA A 18 -6.934 -5.219 -1.241 1.00 10.00 C ATOM 242 C ALA A 18 -6.909 -5.025 0.284 1.00 10.00 C ATOM 243 O ALA A 18 -5.997 -4.411 0.833 1.00 10.00 O ATOM 244 CB ALA A 18 -8.067 -4.486 -1.954 1.00 10.00 C ATOM 0 H ALA A 18 -7.836 -6.861 -2.140 1.00 10.00 H new ATOM 0 HA ALA A 18 -5.998 -4.785 -1.593 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.018 -3.423 -1.718 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -7.969 -4.624 -3.031 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.025 -4.887 -1.623 1.00 10.00 H new ATOM 250 N ASN A 19 -7.877 -5.601 0.998 1.00 10.00 N ATOM 251 CA ASN A 19 -7.955 -5.426 2.445 1.00 10.00 C ATOM 252 C ASN A 19 -6.710 -5.980 3.153 1.00 10.00 C ATOM 253 O ASN A 19 -6.264 -5.418 4.154 1.00 10.00 O ATOM 254 CB ASN A 19 -9.241 -6.052 2.999 1.00 10.00 C ATOM 255 CG ASN A 19 -9.715 -5.414 4.308 1.00 10.00 C ATOM 256 OD1 ASN A 19 -10.904 -5.442 4.603 1.00 10.00 O ATOM 257 ND2 ASN A 19 -8.828 -4.830 5.112 1.00 10.00 N ATOM 0 H ASN A 19 -8.611 -6.187 0.601 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.986 -4.356 2.649 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -10.031 -5.962 2.253 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -9.077 -7.117 3.162 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -9.136 -4.400 5.984 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -7.841 -4.813 4.856 1.00 10.00 H new ATOM 264 N ARG A 20 -6.134 -7.082 2.658 1.00 10.00 N ATOM 265 CA ARG A 20 -4.926 -7.656 3.198 1.00 10.00 C ATOM 266 C ARG A 20 -3.764 -6.665 3.099 1.00 10.00 C ATOM 267 O ARG A 20 -2.939 -6.598 4.015 1.00 10.00 O ATOM 268 CB ARG A 20 -4.636 -8.926 2.404 1.00 10.00 C ATOM 269 CG ARG A 20 -5.362 -10.163 2.943 1.00 10.00 C ATOM 270 CD ARG A 20 -5.076 -11.335 1.998 1.00 10.00 C ATOM 271 NE ARG A 20 -5.845 -12.532 2.365 1.00 10.00 N ATOM 272 CZ ARG A 20 -5.808 -13.691 1.685 1.00 10.00 C ATOM 273 NH1 ARG A 20 -4.994 -13.815 0.630 1.00 10.00 N ATOM 274 NH2 ARG A 20 -6.579 -14.716 2.064 1.00 10.00 N ATOM 0 H ARG A 20 -6.509 -7.596 1.861 1.00 10.00 H new ATOM 0 HA ARG A 20 -5.049 -7.891 4.255 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.925 -8.769 1.365 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.562 -9.113 2.412 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -5.020 -10.395 3.951 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -6.434 -9.978 3.005 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.320 -11.046 0.976 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -4.011 -11.567 2.018 1.00 10.00 H new ATOM 0 HE ARG A 20 -6.445 -12.480 3.188 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -4.405 -13.032 0.345 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -4.962 -14.692 0.111 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -7.196 -14.619 2.870 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -6.550 -15.595 1.547 1.00 10.00 H new ATOM 288 N ILE A 21 -3.694 -5.890 2.008 1.00 10.00 N ATOM 289 CA ILE A 21 -2.648 -4.876 1.890 1.00 10.00 C ATOM 290 C ILE A 21 -2.718 -3.943 3.095 1.00 10.00 C ATOM 291 O ILE A 21 -1.703 -3.686 3.736 1.00 10.00 O ATOM 292 CB ILE A 21 -2.687 -4.058 0.582 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.130 -4.879 -0.631 1.00 10.00 C ATOM 294 CG2 ILE A 21 -1.276 -3.515 0.337 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.845 -4.249 -1.997 1.00 10.00 C ATOM 0 H ILE A 21 -4.334 -5.945 1.215 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.701 -5.415 1.862 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.422 -3.262 0.700 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -2.637 -5.850 -0.589 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.202 -5.062 -0.552 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.266 -2.930 -0.582 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.979 -2.882 1.173 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.577 -4.346 0.246 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -3.199 -4.914 -2.785 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -3.361 -3.292 -2.071 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.772 -4.093 -2.109 1.00 10.00 H new ATOM 307 N GLU A 22 -3.920 -3.459 3.412 1.00 10.00 N ATOM 308 CA GLU A 22 -4.151 -2.502 4.486 1.00 10.00 C ATOM 309 C GLU A 22 -3.585 -3.035 5.797 1.00 10.00 C ATOM 310 O GLU A 22 -2.914 -2.308 6.529 1.00 10.00 O ATOM 311 CB GLU A 22 -5.643 -2.177 4.624 1.00 10.00 C ATOM 312 CG GLU A 22 -6.233 -1.769 3.273 1.00 10.00 C ATOM 313 CD GLU A 22 -7.644 -1.214 3.366 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.291 -1.460 4.407 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.044 -0.566 2.374 1.00 10.00 O ATOM 0 H GLU A 22 -4.772 -3.728 2.919 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.634 -1.575 4.238 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.175 -3.045 5.012 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.780 -1.371 5.345 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.587 -1.020 2.816 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.235 -2.635 2.611 1.00 10.00 H new ATOM 322 N LYS A 23 -3.837 -4.316 6.074 1.00 10.00 N ATOM 323 CA LYS A 23 -3.268 -5.010 7.214 1.00 10.00 C ATOM 324 C LYS A 23 -1.742 -4.860 7.232 1.00 10.00 C ATOM 325 O LYS A 23 -1.175 -4.421 8.235 1.00 10.00 O ATOM 326 CB LYS A 23 -3.692 -6.489 7.177 1.00 10.00 C ATOM 327 CG LYS A 23 -4.607 -6.850 8.346 1.00 10.00 C ATOM 328 CD LYS A 23 -4.866 -8.366 8.331 1.00 10.00 C ATOM 329 CE LYS A 23 -4.926 -8.939 9.749 1.00 10.00 C ATOM 330 NZ LYS A 23 -6.099 -8.456 10.509 1.00 10.00 N ATOM 0 H LYS A 23 -4.449 -4.900 5.503 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.646 -4.566 8.135 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.205 -6.696 6.238 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.805 -7.122 7.202 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.146 -6.556 9.289 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.549 -6.307 8.269 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.804 -8.571 7.815 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.077 -8.865 7.769 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -4.955 -10.027 9.696 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -4.015 -8.670 10.284 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -6.092 -8.874 11.461 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -6.060 -7.420 10.585 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -6.971 -8.735 10.016 1.00 10.00 H new ATOM 344 N ARG A 24 -1.069 -5.231 6.137 1.00 10.00 N ATOM 345 CA ARG A 24 0.383 -5.103 6.069 1.00 10.00 C ATOM 346 C ARG A 24 0.817 -3.654 6.272 1.00 10.00 C ATOM 347 O ARG A 24 1.685 -3.394 7.097 1.00 10.00 O ATOM 348 CB ARG A 24 0.954 -5.659 4.754 1.00 10.00 C ATOM 349 CG ARG A 24 1.418 -7.112 4.908 1.00 10.00 C ATOM 350 CD ARG A 24 2.744 -7.215 5.676 1.00 10.00 C ATOM 351 NE ARG A 24 3.071 -8.618 5.970 1.00 10.00 N ATOM 352 CZ ARG A 24 4.047 -9.016 6.802 1.00 10.00 C ATOM 353 NH1 ARG A 24 4.871 -8.113 7.346 1.00 10.00 N ATOM 354 NH2 ARG A 24 4.184 -10.315 7.094 1.00 10.00 N ATOM 0 H ARG A 24 -1.503 -5.617 5.299 1.00 10.00 H new ATOM 0 HA ARG A 24 0.791 -5.704 6.881 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.195 -5.600 3.974 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.792 -5.041 4.431 1.00 10.00 H new ATOM 0 HG2 ARG A 24 0.651 -7.684 5.431 1.00 10.00 H new ATOM 0 HG3 ARG A 24 1.534 -7.562 3.922 1.00 10.00 H new ATOM 0 HD2 ARG A 24 3.545 -6.766 5.089 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.675 -6.651 6.606 1.00 10.00 H new ATOM 0 HE ARG A 24 2.517 -9.340 5.509 1.00 10.00 H new ATOM 0 HH11 ARG A 24 4.758 -7.123 7.129 1.00 10.00 H new ATOM 0 HH12 ARG A 24 5.613 -8.415 7.978 1.00 10.00 H new ATOM 0 HH21 ARG A 24 3.548 -11.000 6.685 1.00 10.00 H new ATOM 0 HH22 ARG A 24 4.924 -10.620 7.726 1.00 10.00 H new ATOM 368 N LEU A 25 0.214 -2.727 5.531 1.00 10.00 N ATOM 369 CA LEU A 25 0.533 -1.308 5.582 1.00 10.00 C ATOM 370 C LEU A 25 0.457 -0.800 7.023 1.00 10.00 C ATOM 371 O LEU A 25 1.414 -0.216 7.522 1.00 10.00 O ATOM 372 CB LEU A 25 -0.411 -0.540 4.645 1.00 10.00 C ATOM 373 CG LEU A 25 -0.051 -0.784 3.169 1.00 10.00 C ATOM 374 CD1 LEU A 25 -1.277 -0.656 2.259 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.010 0.224 2.717 1.00 10.00 C ATOM 0 H LEU A 25 -0.526 -2.950 4.865 1.00 10.00 H new ATOM 0 HA LEU A 25 1.554 -1.143 5.239 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.440 -0.850 4.827 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.356 0.526 4.864 1.00 10.00 H new ATOM 0 HG LEU A 25 0.335 -1.800 3.090 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.983 -0.835 1.225 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.028 -1.389 2.555 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.694 0.347 2.349 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.260 0.045 1.671 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.621 1.236 2.829 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.905 0.109 3.329 1.00 10.00 H new ATOM 387 N ASN A 26 -0.656 -1.073 7.710 1.00 10.00 N ATOM 388 CA ASN A 26 -0.834 -0.727 9.116 1.00 10.00 C ATOM 389 C ASN A 26 0.293 -1.304 9.972 1.00 10.00 C ATOM 390 O ASN A 26 0.755 -0.661 10.909 1.00 10.00 O ATOM 391 CB ASN A 26 -2.185 -1.245 9.621 1.00 10.00 C ATOM 392 CG ASN A 26 -3.317 -0.256 9.363 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.737 0.464 10.261 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.837 -0.219 8.140 1.00 10.00 N ATOM 0 H ASN A 26 -1.462 -1.544 7.300 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.809 0.359 9.201 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.414 -2.192 9.132 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.118 -1.446 10.690 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.604 0.420 7.931 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.469 -0.829 7.410 1.00 10.00 H new ATOM 401 N LYS A 27 0.726 -2.530 9.669 1.00 10.00 N ATOM 402 CA LYS A 27 1.834 -3.164 10.362 1.00 10.00 C ATOM 403 C LYS A 27 3.180 -2.445 10.162 1.00 10.00 C ATOM 404 O LYS A 27 4.093 -2.703 10.943 1.00 10.00 O ATOM 405 CB LYS A 27 1.919 -4.654 9.978 1.00 10.00 C ATOM 406 CG LYS A 27 1.510 -5.542 11.158 1.00 10.00 C ATOM 407 CD LYS A 27 1.644 -7.028 10.803 1.00 10.00 C ATOM 408 CE LYS A 27 1.194 -7.884 11.997 1.00 10.00 C ATOM 409 NZ LYS A 27 1.394 -9.331 11.768 1.00 10.00 N ATOM 0 H LYS A 27 0.314 -3.106 8.935 1.00 10.00 H new ATOM 0 HA LYS A 27 1.626 -3.085 11.429 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.270 -4.852 9.125 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.935 -4.897 9.668 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.134 -5.314 12.022 1.00 10.00 H new ATOM 0 HG3 LYS A 27 0.480 -5.324 11.441 1.00 10.00 H new ATOM 0 HD2 LYS A 27 1.038 -7.259 9.927 1.00 10.00 H new ATOM 0 HD3 LYS A 27 2.678 -7.259 10.545 1.00 10.00 H new ATOM 0 HE2 LYS A 27 1.748 -7.581 12.886 1.00 10.00 H new ATOM 0 HE3 LYS A 27 0.140 -7.694 12.198 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 1.074 -9.862 12.603 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 0.845 -9.630 10.937 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 2.403 -9.520 11.603 1.00 10.00 H new ATOM 423 N ILE A 28 3.348 -1.598 9.139 1.00 10.00 N ATOM 424 CA ILE A 28 4.617 -0.901 8.934 1.00 10.00 C ATOM 425 C ILE A 28 4.707 0.299 9.879 1.00 10.00 C ATOM 426 O ILE A 28 3.812 1.140 9.969 1.00 10.00 O ATOM 427 CB ILE A 28 4.812 -0.451 7.478 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.580 -1.540 6.429 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.148 0.279 7.261 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.773 -2.468 6.385 1.00 10.00 C ATOM 0 H ILE A 28 2.628 -1.382 8.449 1.00 10.00 H new ATOM 0 HA ILE A 28 5.418 -1.606 9.157 1.00 10.00 H new ATOM 0 HB ILE A 28 4.010 0.269 7.314 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.678 -2.103 6.669 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.423 -1.088 5.450 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.235 0.575 6.216 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.185 1.166 7.894 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.972 -0.386 7.520 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.604 -3.242 5.637 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.666 -1.900 6.124 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.910 -2.931 7.362 1.00 10.00 H new ATOM 442 N GLU A 29 5.843 0.379 10.559 1.00 10.00 N ATOM 443 CA GLU A 29 6.140 1.381 11.561 1.00 10.00 C ATOM 444 C GLU A 29 6.422 2.709 10.851 1.00 10.00 C ATOM 445 O GLU A 29 7.348 2.797 10.047 1.00 10.00 O ATOM 446 CB GLU A 29 7.316 0.884 12.414 1.00 10.00 C ATOM 447 CG GLU A 29 6.969 -0.465 13.074 1.00 10.00 C ATOM 448 CD GLU A 29 8.118 -1.006 13.915 1.00 10.00 C ATOM 449 OE1 GLU A 29 9.005 -1.647 13.312 1.00 10.00 O ATOM 450 OE2 GLU A 29 8.080 -0.781 15.142 1.00 10.00 O ATOM 0 H GLU A 29 6.609 -0.280 10.419 1.00 10.00 H new ATOM 0 HA GLU A 29 5.301 1.549 12.237 1.00 10.00 H new ATOM 0 HB2 GLU A 29 8.204 0.774 11.792 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.554 1.621 13.181 1.00 10.00 H new ATOM 0 HG2 GLU A 29 6.087 -0.344 13.702 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.713 -1.190 12.302 1.00 10.00 H new ATOM 457 N GLY A 30 5.588 3.722 11.107 1.00 10.00 N ATOM 458 CA GLY A 30 5.683 5.041 10.490 1.00 10.00 C ATOM 459 C GLY A 30 4.594 5.290 9.443 1.00 10.00 C ATOM 460 O GLY A 30 4.547 6.375 8.858 1.00 10.00 O ATOM 0 H GLY A 30 4.812 3.642 11.764 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.616 5.805 11.265 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.661 5.148 10.021 1.00 10.00 H new ATOM 464 N VAL A 31 3.706 4.312 9.212 1.00 10.00 N ATOM 465 CA VAL A 31 2.521 4.502 8.388 1.00 10.00 C ATOM 466 C VAL A 31 1.381 4.991 9.279 1.00 10.00 C ATOM 467 O VAL A 31 1.146 4.435 10.349 1.00 10.00 O ATOM 468 CB VAL A 31 2.170 3.207 7.634 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.889 3.366 6.804 1.00 10.00 C ATOM 470 CG2 VAL A 31 3.316 2.820 6.692 1.00 10.00 C ATOM 0 H VAL A 31 3.796 3.371 9.594 1.00 10.00 H new ATOM 0 HA VAL A 31 2.707 5.257 7.624 1.00 10.00 H new ATOM 0 HB VAL A 31 2.012 2.429 8.381 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.673 2.432 6.286 1.00 10.00 H new ATOM 0 HG12 VAL A 31 0.057 3.616 7.463 1.00 10.00 H new ATOM 0 HG13 VAL A 31 1.026 4.163 6.073 1.00 10.00 H new ATOM 0 HG21 VAL A 31 3.058 1.902 6.163 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.480 3.621 5.971 1.00 10.00 H new ATOM 0 HG23 VAL A 31 4.225 2.661 7.271 1.00 10.00 H new ATOM 480 N ALA A 32 0.681 6.041 8.840 1.00 10.00 N ATOM 481 CA ALA A 32 -0.494 6.560 9.519 1.00 10.00 C ATOM 482 C ALA A 32 -1.726 5.784 9.064 1.00 10.00 C ATOM 483 O ALA A 32 -2.502 5.328 9.899 1.00 10.00 O ATOM 484 CB ALA A 32 -0.650 8.057 9.244 1.00 10.00 C ATOM 0 H ALA A 32 0.923 6.555 7.993 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.379 6.432 10.595 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.535 8.431 9.759 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.232 8.587 9.605 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.758 8.221 8.172 1.00 10.00 H new ATOM 490 N ASN A 33 -1.924 5.637 7.748 1.00 10.00 N ATOM 491 CA ASN A 33 -3.035 4.874 7.191 1.00 10.00 C ATOM 492 C ASN A 33 -2.793 4.698 5.696 1.00 10.00 C ATOM 493 O ASN A 33 -1.818 5.226 5.165 1.00 10.00 O ATOM 494 CB ASN A 33 -4.398 5.533 7.463 1.00 10.00 C ATOM 495 CG ASN A 33 -4.530 6.873 6.752 1.00 10.00 C ATOM 496 OD1 ASN A 33 -4.925 6.918 5.592 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.194 7.953 7.448 1.00 10.00 N ATOM 0 H ASN A 33 -1.313 6.047 7.042 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.075 3.901 7.682 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.196 4.867 7.134 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -4.525 5.677 8.536 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -4.259 8.876 7.020 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -3.871 7.859 8.411 1.00 10.00 H new ATOM 504 N ALA A 34 -3.658 3.929 5.035 1.00 10.00 N ATOM 505 CA ALA A 34 -3.489 3.488 3.661 1.00 10.00 C ATOM 506 C ALA A 34 -4.686 2.673 3.146 1.00 10.00 C ATOM 507 O ALA A 34 -4.513 1.505 2.800 1.00 10.00 O ATOM 508 CB ALA A 34 -2.214 2.648 3.575 1.00 10.00 C ATOM 0 H ALA A 34 -4.521 3.588 5.459 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.419 4.373 3.029 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.071 2.308 2.549 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.359 3.252 3.880 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.302 1.785 4.235 1.00 10.00 H new ATOM 514 N PRO A 35 -5.896 3.248 3.079 1.00 10.00 N ATOM 515 CA PRO A 35 -7.050 2.553 2.530 1.00 10.00 C ATOM 516 C PRO A 35 -6.892 2.385 1.011 1.00 10.00 C ATOM 517 O PRO A 35 -6.601 3.363 0.322 1.00 10.00 O ATOM 518 CB PRO A 35 -8.250 3.434 2.886 1.00 10.00 C ATOM 519 CG PRO A 35 -7.649 4.841 2.941 1.00 10.00 C ATOM 520 CD PRO A 35 -6.243 4.599 3.490 1.00 10.00 C ATOM 0 HA PRO A 35 -7.169 1.547 2.933 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.038 3.362 2.137 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.691 3.147 3.841 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.622 5.306 1.956 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.226 5.500 3.589 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.535 5.325 3.091 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.223 4.697 4.575 1.00 10.00 H new ATOM 528 N VAL A 36 -7.066 1.170 0.476 1.00 10.00 N ATOM 529 CA VAL A 36 -6.918 0.902 -0.952 1.00 10.00 C ATOM 530 C VAL A 36 -8.271 0.813 -1.668 1.00 10.00 C ATOM 531 O VAL A 36 -9.248 0.307 -1.121 1.00 10.00 O ATOM 532 CB VAL A 36 -6.031 -0.329 -1.154 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.525 -1.559 -0.404 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.867 -0.665 -2.637 1.00 10.00 C ATOM 0 H VAL A 36 -7.314 0.347 1.025 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.415 1.746 -1.423 1.00 10.00 H new ATOM 0 HB VAL A 36 -5.062 -0.058 -0.734 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -5.850 -2.395 -0.591 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -6.552 -1.347 0.665 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -7.526 -1.817 -0.748 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.231 -1.544 -2.743 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -6.844 -0.869 -3.074 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.408 0.179 -3.153 1.00 10.00 H new ATOM 544 N ASN A 37 -8.331 1.322 -2.905 1.00 10.00 N ATOM 545 CA ASN A 37 -9.574 1.477 -3.650 1.00 10.00 C ATOM 546 C ASN A 37 -9.693 0.447 -4.777 1.00 10.00 C ATOM 547 O ASN A 37 -9.046 0.581 -5.819 1.00 10.00 O ATOM 548 CB ASN A 37 -9.631 2.895 -4.213 1.00 10.00 C ATOM 549 CG ASN A 37 -10.795 3.037 -5.182 1.00 10.00 C ATOM 550 OD1 ASN A 37 -11.909 2.609 -4.906 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.533 3.613 -6.346 1.00 10.00 N ATOM 0 H ASN A 37 -7.507 1.639 -3.416 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.413 1.307 -2.975 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.738 3.612 -3.399 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.696 3.128 -4.722 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -11.270 3.711 -7.044 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.594 3.959 -6.544 1.00 10.00 H new ATOM 558 N PHE A 38 -10.575 -0.542 -4.595 1.00 10.00 N ATOM 559 CA PHE A 38 -10.861 -1.586 -5.577 1.00 10.00 C ATOM 560 C PHE A 38 -11.716 -1.037 -6.729 1.00 10.00 C ATOM 561 O PHE A 38 -12.858 -1.446 -6.926 1.00 10.00 O ATOM 562 CB PHE A 38 -11.541 -2.776 -4.882 1.00 10.00 C ATOM 563 CG PHE A 38 -11.347 -4.109 -5.585 1.00 10.00 C ATOM 564 CD1 PHE A 38 -12.240 -4.548 -6.583 1.00 10.00 C ATOM 565 CD2 PHE A 38 -10.232 -4.897 -5.262 1.00 10.00 C ATOM 566 CE1 PHE A 38 -11.996 -5.755 -7.264 1.00 10.00 C ATOM 567 CE2 PHE A 38 -10.007 -6.118 -5.916 1.00 10.00 C ATOM 568 CZ PHE A 38 -10.879 -6.541 -6.931 1.00 10.00 C ATOM 0 H PHE A 38 -11.121 -0.638 -3.739 1.00 10.00 H new ATOM 0 HA PHE A 38 -9.924 -1.933 -6.013 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.156 -2.856 -3.866 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.609 -2.573 -4.803 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -13.112 -3.958 -6.825 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -9.541 -4.561 -4.503 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -12.669 -6.078 -8.045 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.163 -6.732 -5.638 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.693 -7.467 -7.454 1.00 10.00 H new ATOM 578 N ALA A 39 -11.158 -0.097 -7.491 1.00 10.00 N ATOM 579 CA ALA A 39 -11.781 0.442 -8.694 1.00 10.00 C ATOM 580 C ALA A 39 -10.738 1.067 -9.620 1.00 10.00 C ATOM 581 O ALA A 39 -10.704 0.754 -10.805 1.00 10.00 O ATOM 582 CB ALA A 39 -12.877 1.448 -8.328 1.00 10.00 C ATOM 0 H ALA A 39 -10.248 0.316 -7.285 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.247 -0.381 -9.236 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.330 1.839 -9.239 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.640 0.953 -7.727 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.442 2.269 -7.758 1.00 10.00 H new ATOM 588 N LEU A 40 -9.891 1.957 -9.090 1.00 10.00 N ATOM 589 CA LEU A 40 -8.859 2.639 -9.876 1.00 10.00 C ATOM 590 C LEU A 40 -7.537 1.874 -9.815 1.00 10.00 C ATOM 591 O LEU A 40 -6.571 2.263 -10.466 1.00 10.00 O ATOM 592 CB LEU A 40 -8.642 4.068 -9.352 1.00 10.00 C ATOM 593 CG LEU A 40 -9.885 4.913 -9.244 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.704 6.124 -8.318 1.00 10.00 C ATOM 595 CD2 LEU A 40 -10.358 5.368 -10.616 1.00 10.00 C ATOM 0 H LEU A 40 -9.902 2.224 -8.106 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.200 2.680 -10.911 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -8.177 4.009 -8.368 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.935 4.574 -10.009 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.648 4.276 -8.796 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.632 6.695 -8.280 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.448 5.781 -7.316 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.904 6.758 -8.700 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -11.256 5.976 -10.508 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.576 5.958 -11.093 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.581 4.496 -11.231 1.00 10.00 H new ATOM 607 N GLU A 41 -7.494 0.846 -8.962 1.00 10.00 N ATOM 608 CA GLU A 41 -6.294 0.141 -8.551 1.00 10.00 C ATOM 609 C GLU A 41 -5.254 1.150 -8.075 1.00 10.00 C ATOM 610 O GLU A 41 -4.096 1.130 -8.487 1.00 10.00 O ATOM 611 CB GLU A 41 -5.792 -0.812 -9.638 1.00 10.00 C ATOM 612 CG GLU A 41 -6.718 -2.022 -9.785 1.00 10.00 C ATOM 613 CD GLU A 41 -6.111 -3.108 -10.669 1.00 10.00 C ATOM 614 OE1 GLU A 41 -6.179 -2.930 -11.904 1.00 10.00 O ATOM 615 OE2 GLU A 41 -5.612 -4.103 -10.096 1.00 10.00 O ATOM 0 H GLU A 41 -8.336 0.472 -8.525 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.521 -0.509 -7.706 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -5.728 -0.282 -10.588 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -4.785 -1.149 -9.393 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -6.932 -2.436 -8.799 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -7.669 -1.700 -10.209 1.00 10.00 H new ATOM 622 N THR A 42 -5.705 2.009 -7.158 1.00 10.00 N ATOM 623 CA THR A 42 -4.906 3.003 -6.470 1.00 10.00 C ATOM 624 C THR A 42 -5.057 2.798 -4.961 1.00 10.00 C ATOM 625 O THR A 42 -6.154 2.482 -4.490 1.00 10.00 O ATOM 626 CB THR A 42 -5.356 4.416 -6.859 1.00 10.00 C ATOM 627 OG1 THR A 42 -5.281 4.623 -8.260 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.495 5.472 -6.161 1.00 10.00 C ATOM 0 H THR A 42 -6.683 2.024 -6.868 1.00 10.00 H new ATOM 0 HA THR A 42 -3.860 2.890 -6.755 1.00 10.00 H new ATOM 0 HB THR A 42 -6.394 4.514 -6.541 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.577 5.533 -8.473 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.832 6.467 -6.452 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.586 5.359 -5.081 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.453 5.343 -6.453 1.00 10.00 H new ATOM 636 N VAL A 43 -3.970 3.006 -4.210 1.00 10.00 N ATOM 637 CA VAL A 43 -3.997 3.164 -2.761 1.00 10.00 C ATOM 638 C VAL A 43 -3.413 4.529 -2.408 1.00 10.00 C ATOM 639 O VAL A 43 -2.385 4.918 -2.966 1.00 10.00 O ATOM 640 CB VAL A 43 -3.264 2.007 -2.055 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.807 1.850 -2.498 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.320 2.158 -0.531 1.00 10.00 C ATOM 0 H VAL A 43 -3.032 3.070 -4.605 1.00 10.00 H new ATOM 0 HA VAL A 43 -5.026 3.123 -2.404 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.796 1.104 -2.354 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.351 1.018 -1.962 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.772 1.654 -3.570 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.259 2.766 -2.279 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.794 1.326 -0.063 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.847 3.096 -0.241 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.360 2.160 -0.204 1.00 10.00 H new ATOM 652 N THR A 44 -4.082 5.238 -1.496 1.00 10.00 N ATOM 653 CA THR A 44 -3.700 6.534 -0.968 1.00 10.00 C ATOM 654 C THR A 44 -3.057 6.316 0.403 1.00 10.00 C ATOM 655 O THR A 44 -3.758 6.131 1.394 1.00 10.00 O ATOM 656 CB THR A 44 -4.976 7.386 -0.866 1.00 10.00 C ATOM 657 OG1 THR A 44 -6.083 6.555 -0.558 1.00 10.00 O ATOM 658 CG2 THR A 44 -5.270 8.087 -2.194 1.00 10.00 C ATOM 0 H THR A 44 -4.953 4.897 -1.088 1.00 10.00 H new ATOM 0 HA THR A 44 -2.982 7.048 -1.607 1.00 10.00 H new ATOM 0 HB THR A 44 -4.820 8.129 -0.084 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.894 7.101 -0.492 1.00 10.00 H new ATOM 0 HG21 THR A 44 -6.177 8.684 -2.097 1.00 10.00 H new ATOM 0 HG22 THR A 44 -4.435 8.736 -2.455 1.00 10.00 H new ATOM 0 HG23 THR A 44 -5.408 7.341 -2.977 1.00 10.00 H new ATOM 666 N VAL A 45 -1.725 6.293 0.466 1.00 10.00 N ATOM 667 CA VAL A 45 -0.983 5.972 1.679 1.00 10.00 C ATOM 668 C VAL A 45 -0.554 7.250 2.382 1.00 10.00 C ATOM 669 O VAL A 45 0.144 8.074 1.795 1.00 10.00 O ATOM 670 CB VAL A 45 0.234 5.106 1.336 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.003 4.643 2.583 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.244 3.864 0.583 1.00 10.00 C ATOM 0 H VAL A 45 -1.127 6.499 -0.334 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.628 5.409 2.354 1.00 10.00 H new ATOM 0 HB VAL A 45 0.907 5.715 0.733 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.854 4.034 2.280 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.358 5.513 3.135 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.343 4.054 3.219 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.613 3.238 0.332 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.934 3.300 1.211 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.752 4.167 -0.332 1.00 10.00 H new ATOM 682 N GLU A 46 -0.921 7.377 3.654 1.00 10.00 N ATOM 683 CA GLU A 46 -0.431 8.415 4.537 1.00 10.00 C ATOM 684 C GLU A 46 0.651 7.808 5.438 1.00 10.00 C ATOM 685 O GLU A 46 0.350 6.938 6.257 1.00 10.00 O ATOM 686 CB GLU A 46 -1.616 8.962 5.335 1.00 10.00 C ATOM 687 CG GLU A 46 -2.634 9.674 4.427 1.00 10.00 C ATOM 688 CD GLU A 46 -3.520 10.658 5.185 1.00 10.00 C ATOM 689 OE1 GLU A 46 -3.800 10.375 6.372 1.00 10.00 O ATOM 690 OE2 GLU A 46 -3.901 11.680 4.573 1.00 10.00 O ATOM 0 H GLU A 46 -1.582 6.744 4.103 1.00 10.00 H new ATOM 0 HA GLU A 46 0.016 9.244 3.989 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.108 8.145 5.862 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.255 9.658 6.092 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -2.101 10.206 3.639 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -3.262 8.928 3.940 1.00 10.00 H new ATOM 697 N TYR A 47 1.908 8.243 5.287 1.00 10.00 N ATOM 698 CA TYR A 47 3.039 7.802 6.095 1.00 10.00 C ATOM 699 C TYR A 47 4.109 8.872 6.095 1.00 10.00 C ATOM 700 O TYR A 47 4.210 9.642 5.143 1.00 10.00 O ATOM 701 CB TYR A 47 3.677 6.520 5.553 1.00 10.00 C ATOM 702 CG TYR A 47 4.421 6.679 4.239 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.700 6.832 3.044 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.817 6.885 4.239 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.370 7.137 1.852 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.472 7.281 3.060 1.00 10.00 C ATOM 707 CZ TYR A 47 5.746 7.404 1.865 1.00 10.00 C ATOM 708 OH TYR A 47 6.362 7.805 0.719 1.00 10.00 O ATOM 0 H TYR A 47 2.168 8.930 4.579 1.00 10.00 H new ATOM 0 HA TYR A 47 2.655 7.612 7.097 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.369 6.133 6.301 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.896 5.771 5.423 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.626 6.714 3.044 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.383 6.738 5.147 1.00 10.00 H new ATOM 0 HE1 TYR A 47 3.825 7.166 0.920 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.531 7.490 3.074 1.00 10.00 H new ATOM 0 HH TYR A 47 7.315 7.951 0.894 1.00 10.00 H new ATOM 718 N ASN A 48 4.947 8.840 7.128 1.00 10.00 N ATOM 719 CA ASN A 48 6.015 9.800 7.313 1.00 10.00 C ATOM 720 C ASN A 48 7.364 9.204 6.879 1.00 10.00 C ATOM 721 O ASN A 48 7.751 8.153 7.397 1.00 10.00 O ATOM 722 CB ASN A 48 6.029 10.336 8.751 1.00 10.00 C ATOM 723 CG ASN A 48 5.899 9.320 9.887 1.00 10.00 C ATOM 724 OD1 ASN A 48 5.047 9.473 10.755 1.00 10.00 O ATOM 725 ND2 ASN A 48 6.754 8.306 9.938 1.00 10.00 N ATOM 0 H ASN A 48 4.897 8.136 7.865 1.00 10.00 H new ATOM 0 HA ASN A 48 5.832 10.659 6.668 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.960 10.885 8.896 1.00 10.00 H new ATOM 0 HB3 ASN A 48 5.216 11.056 8.849 1.00 10.00 H new ATOM 0 HD21 ASN A 48 6.708 7.639 10.708 1.00 10.00 H new ATOM 0 HD22 ASN A 48 7.457 8.194 9.207 1.00 10.00 H new ATOM 732 N PRO A 49 8.097 9.848 5.954 1.00 10.00 N ATOM 733 CA PRO A 49 9.384 9.383 5.459 1.00 10.00 C ATOM 734 C PRO A 49 10.449 9.545 6.544 1.00 10.00 C ATOM 735 O PRO A 49 11.242 10.484 6.527 1.00 10.00 O ATOM 736 CB PRO A 49 9.675 10.219 4.207 1.00 10.00 C ATOM 737 CG PRO A 49 8.950 11.530 4.497 1.00 10.00 C ATOM 738 CD PRO A 49 7.712 11.065 5.263 1.00 10.00 C ATOM 0 HA PRO A 49 9.382 8.323 5.204 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.745 10.372 4.063 1.00 10.00 H new ATOM 0 HB3 PRO A 49 9.297 9.739 3.304 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.562 12.209 5.090 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.685 12.058 3.581 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.383 11.827 5.970 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.880 10.880 4.583 1.00 10.00 H new ATOM 746 N LYS A 50 10.450 8.624 7.507 1.00 10.00 N ATOM 747 CA LYS A 50 11.392 8.617 8.615 1.00 10.00 C ATOM 748 C LYS A 50 11.686 7.175 9.017 1.00 10.00 C ATOM 749 O LYS A 50 12.844 6.770 9.049 1.00 10.00 O ATOM 750 CB LYS A 50 10.830 9.467 9.767 1.00 10.00 C ATOM 751 CG LYS A 50 11.939 9.900 10.733 1.00 10.00 C ATOM 752 CD LYS A 50 11.392 10.916 11.748 1.00 10.00 C ATOM 753 CE LYS A 50 12.508 11.606 12.547 1.00 10.00 C ATOM 754 NZ LYS A 50 13.323 12.512 11.709 1.00 10.00 N ATOM 0 H LYS A 50 9.784 7.852 7.536 1.00 10.00 H new ATOM 0 HA LYS A 50 12.342 9.066 8.325 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.333 10.349 9.362 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.076 8.896 10.308 1.00 10.00 H new ATOM 0 HG2 LYS A 50 12.336 9.030 11.256 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.765 10.341 10.175 1.00 10.00 H new ATOM 0 HD2 LYS A 50 10.806 11.670 11.223 1.00 10.00 H new ATOM 0 HD3 LYS A 50 10.716 10.409 12.437 1.00 10.00 H new ATOM 0 HE2 LYS A 50 12.067 12.172 13.367 1.00 10.00 H new ATOM 0 HE3 LYS A 50 13.153 10.849 12.993 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 13.948 13.079 12.317 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.898 11.951 11.049 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 12.697 13.145 11.171 1.00 10.00 H new ATOM 768 N GLU A 51 10.625 6.418 9.304 1.00 10.00 N ATOM 769 CA GLU A 51 10.690 5.001 9.628 1.00 10.00 C ATOM 770 C GLU A 51 10.170 4.194 8.433 1.00 10.00 C ATOM 771 O GLU A 51 10.868 3.330 7.911 1.00 10.00 O ATOM 772 CB GLU A 51 9.892 4.746 10.913 1.00 10.00 C ATOM 773 CG GLU A 51 10.406 5.629 12.063 1.00 10.00 C ATOM 774 CD GLU A 51 9.624 5.402 13.349 1.00 10.00 C ATOM 775 OE1 GLU A 51 8.378 5.359 13.250 1.00 10.00 O ATOM 776 OE2 GLU A 51 10.286 5.315 14.404 1.00 10.00 O ATOM 0 H GLU A 51 9.675 6.788 9.316 1.00 10.00 H new ATOM 0 HA GLU A 51 11.715 4.682 9.815 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.836 4.950 10.737 1.00 10.00 H new ATOM 0 HB3 GLU A 51 9.971 3.695 11.193 1.00 10.00 H new ATOM 0 HG2 GLU A 51 11.461 5.418 12.238 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.334 6.678 11.775 1.00 10.00 H new ATOM 783 N ALA A 52 8.966 4.527 7.957 1.00 10.00 N ATOM 784 CA ALA A 52 8.392 3.982 6.749 1.00 10.00 C ATOM 785 C ALA A 52 8.929 4.778 5.566 1.00 10.00 C ATOM 786 O ALA A 52 9.260 5.956 5.686 1.00 10.00 O ATOM 787 CB ALA A 52 6.868 4.100 6.818 1.00 10.00 C ATOM 0 H ALA A 52 8.358 5.201 8.422 1.00 10.00 H new ATOM 0 HA ALA A 52 8.657 2.931 6.636 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.430 3.690 5.908 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.499 3.545 7.681 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.588 5.149 6.914 1.00 10.00 H new ATOM 793 N SER A 53 8.994 4.123 4.415 1.00 10.00 N ATOM 794 CA SER A 53 9.313 4.701 3.131 1.00 10.00 C ATOM 795 C SER A 53 8.522 3.967 2.048 1.00 10.00 C ATOM 796 O SER A 53 8.090 2.830 2.259 1.00 10.00 O ATOM 797 CB SER A 53 10.816 4.584 2.901 1.00 10.00 C ATOM 798 OG SER A 53 11.278 3.277 3.171 1.00 10.00 O ATOM 0 H SER A 53 8.815 3.121 4.356 1.00 10.00 H new ATOM 0 HA SER A 53 9.041 5.756 3.098 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.050 4.848 1.870 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.340 5.296 3.539 1.00 10.00 H new ATOM 0 HG SER A 53 12.244 3.232 3.013 1.00 10.00 H new ATOM 804 N VAL A 54 8.347 4.610 0.886 1.00 10.00 N ATOM 805 CA VAL A 54 7.611 4.036 -0.231 1.00 10.00 C ATOM 806 C VAL A 54 8.172 2.658 -0.589 1.00 10.00 C ATOM 807 O VAL A 54 7.421 1.696 -0.655 1.00 10.00 O ATOM 808 CB VAL A 54 7.536 5.031 -1.408 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.895 5.371 -2.036 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.570 4.558 -2.502 1.00 10.00 C ATOM 0 H VAL A 54 8.715 5.543 0.701 1.00 10.00 H new ATOM 0 HA VAL A 54 6.575 3.861 0.058 1.00 10.00 H new ATOM 0 HB VAL A 54 7.155 5.948 -0.958 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.751 6.076 -2.855 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.543 5.818 -1.282 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.357 4.461 -2.418 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.549 5.289 -3.310 1.00 10.00 H new ATOM 0 HG22 VAL A 54 6.904 3.596 -2.891 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.569 4.452 -2.083 1.00 10.00 H new ATOM 820 N SER A 55 9.489 2.534 -0.766 1.00 10.00 N ATOM 821 CA SER A 55 10.146 1.274 -1.084 1.00 10.00 C ATOM 822 C SER A 55 9.861 0.175 -0.051 1.00 10.00 C ATOM 823 O SER A 55 9.666 -0.984 -0.413 1.00 10.00 O ATOM 824 CB SER A 55 11.648 1.540 -1.183 1.00 10.00 C ATOM 825 OG SER A 55 11.858 2.716 -1.943 1.00 10.00 O ATOM 0 H SER A 55 10.134 3.320 -0.690 1.00 10.00 H new ATOM 0 HA SER A 55 9.750 0.904 -2.030 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.077 1.653 -0.187 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.150 0.694 -1.652 1.00 10.00 H new ATOM 0 HG SER A 55 12.819 2.895 -2.010 1.00 10.00 H new ATOM 831 N ASP A 56 9.862 0.533 1.235 1.00 10.00 N ATOM 832 CA ASP A 56 9.725 -0.437 2.307 1.00 10.00 C ATOM 833 C ASP A 56 8.327 -1.047 2.238 1.00 10.00 C ATOM 834 O ASP A 56 8.151 -2.257 2.075 1.00 10.00 O ATOM 835 CB ASP A 56 9.991 0.263 3.640 1.00 10.00 C ATOM 836 CG ASP A 56 9.748 -0.681 4.801 1.00 10.00 C ATOM 837 OD1 ASP A 56 10.696 -1.417 5.144 1.00 10.00 O ATOM 838 OD2 ASP A 56 8.611 -0.646 5.309 1.00 10.00 O ATOM 0 H ASP A 56 9.957 1.497 1.554 1.00 10.00 H new ATOM 0 HA ASP A 56 10.447 -1.247 2.208 1.00 10.00 H new ATOM 0 HB2 ASP A 56 11.019 0.624 3.668 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.344 1.136 3.733 1.00 10.00 H new ATOM 843 N LEU A 57 7.313 -0.179 2.266 1.00 10.00 N ATOM 844 CA LEU A 57 5.944 -0.644 2.145 1.00 10.00 C ATOM 845 C LEU A 57 5.718 -1.332 0.794 1.00 10.00 C ATOM 846 O LEU A 57 4.983 -2.314 0.727 1.00 10.00 O ATOM 847 CB LEU A 57 4.948 0.471 2.486 1.00 10.00 C ATOM 848 CG LEU A 57 4.889 1.626 1.481 1.00 10.00 C ATOM 849 CD1 LEU A 57 3.962 1.334 0.291 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.416 2.894 2.196 1.00 10.00 C ATOM 0 H LEU A 57 7.418 0.830 2.370 1.00 10.00 H new ATOM 0 HA LEU A 57 5.755 -1.418 2.889 1.00 10.00 H new ATOM 0 HB2 LEU A 57 3.953 0.034 2.571 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.203 0.876 3.465 1.00 10.00 H new ATOM 0 HG LEU A 57 5.894 1.759 1.080 1.00 10.00 H new ATOM 0 HD11 LEU A 57 3.960 2.187 -0.387 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.317 0.450 -0.239 1.00 10.00 H new ATOM 0 HD13 LEU A 57 2.949 1.157 0.653 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.373 3.718 1.484 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.425 2.726 2.617 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.113 3.142 2.996 1.00 10.00 H new ATOM 862 N LYS A 58 6.360 -0.857 -0.281 1.00 10.00 N ATOM 863 CA LYS A 58 6.318 -1.519 -1.583 1.00 10.00 C ATOM 864 C LYS A 58 6.645 -3.002 -1.394 1.00 10.00 C ATOM 865 O LYS A 58 5.848 -3.867 -1.762 1.00 10.00 O ATOM 866 CB LYS A 58 7.297 -0.833 -2.558 1.00 10.00 C ATOM 867 CG LYS A 58 7.015 -0.975 -4.050 1.00 10.00 C ATOM 868 CD LYS A 58 6.884 -2.432 -4.489 1.00 10.00 C ATOM 869 CE LYS A 58 7.500 -2.628 -5.882 1.00 10.00 C ATOM 870 NZ LYS A 58 6.790 -3.667 -6.641 1.00 10.00 N ATOM 0 H LYS A 58 6.921 -0.005 -0.269 1.00 10.00 H new ATOM 0 HA LYS A 58 5.322 -1.438 -2.018 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.321 0.230 -2.319 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.295 -1.225 -2.365 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.096 -0.442 -4.294 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.818 -0.501 -4.614 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.382 -3.082 -3.769 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.833 -2.721 -4.505 1.00 10.00 H new ATOM 0 HE2 LYS A 58 7.467 -1.687 -6.432 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.550 -2.902 -5.782 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 7.434 -4.087 -7.341 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 6.457 -4.406 -5.990 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 5.976 -3.244 -7.130 1.00 10.00 H new ATOM 884 N GLU A 59 7.810 -3.291 -0.803 1.00 10.00 N ATOM 885 CA GLU A 59 8.233 -4.660 -0.557 1.00 10.00 C ATOM 886 C GLU A 59 7.188 -5.386 0.293 1.00 10.00 C ATOM 887 O GLU A 59 6.884 -6.547 0.050 1.00 10.00 O ATOM 888 CB GLU A 59 9.616 -4.684 0.105 1.00 10.00 C ATOM 889 CG GLU A 59 10.223 -6.089 -0.018 1.00 10.00 C ATOM 890 CD GLU A 59 11.571 -6.197 0.678 1.00 10.00 C ATOM 891 OE1 GLU A 59 12.497 -5.491 0.224 1.00 10.00 O ATOM 892 OE2 GLU A 59 11.649 -6.993 1.639 1.00 10.00 O ATOM 0 H GLU A 59 8.475 -2.585 -0.487 1.00 10.00 H new ATOM 0 HA GLU A 59 8.317 -5.185 -1.508 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.270 -3.952 -0.369 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.532 -4.404 1.155 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.536 -6.818 0.411 1.00 10.00 H new ATOM 0 HG3 GLU A 59 10.339 -6.341 -1.072 1.00 10.00 H new ATOM 899 N ALA A 60 6.615 -4.691 1.274 1.00 10.00 N ATOM 900 CA ALA A 60 5.598 -5.232 2.167 1.00 10.00 C ATOM 901 C ALA A 60 4.340 -5.667 1.407 1.00 10.00 C ATOM 902 O ALA A 60 3.720 -6.668 1.767 1.00 10.00 O ATOM 903 CB ALA A 60 5.257 -4.224 3.264 1.00 10.00 C ATOM 0 H ALA A 60 6.850 -3.719 1.472 1.00 10.00 H new ATOM 0 HA ALA A 60 6.012 -6.125 2.634 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.496 -4.645 3.921 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.153 -3.999 3.843 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.879 -3.308 2.811 1.00 10.00 H new ATOM 909 N VAL A 61 3.956 -4.924 0.366 1.00 10.00 N ATOM 910 CA VAL A 61 2.844 -5.300 -0.498 1.00 10.00 C ATOM 911 C VAL A 61 3.253 -6.485 -1.366 1.00 10.00 C ATOM 912 O VAL A 61 2.547 -7.491 -1.391 1.00 10.00 O ATOM 913 CB VAL A 61 2.361 -4.092 -1.319 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.244 -4.519 -2.281 1.00 10.00 C ATOM 915 CG2 VAL A 61 1.871 -2.990 -0.366 1.00 10.00 C ATOM 0 H VAL A 61 4.408 -4.048 0.102 1.00 10.00 H new ATOM 0 HA VAL A 61 1.994 -5.615 0.107 1.00 10.00 H new ATOM 0 HB VAL A 61 3.187 -3.701 -1.913 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.910 -3.656 -2.857 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.621 -5.284 -2.960 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.406 -4.921 -1.711 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.528 -2.133 -0.946 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.048 -3.371 0.239 1.00 10.00 H new ATOM 0 HG23 VAL A 61 2.689 -2.683 0.286 1.00 10.00 H new ATOM 925 N ASP A 62 4.411 -6.401 -2.027 1.00 10.00 N ATOM 926 CA ASP A 62 4.950 -7.527 -2.786 1.00 10.00 C ATOM 927 C ASP A 62 4.985 -8.800 -1.926 1.00 10.00 C ATOM 928 O ASP A 62 4.649 -9.880 -2.405 1.00 10.00 O ATOM 929 CB ASP A 62 6.319 -7.165 -3.382 1.00 10.00 C ATOM 930 CG ASP A 62 6.204 -6.656 -4.817 1.00 10.00 C ATOM 931 OD1 ASP A 62 5.851 -5.469 -4.997 1.00 10.00 O ATOM 932 OD2 ASP A 62 6.507 -7.434 -5.745 1.00 10.00 O ATOM 0 H ASP A 62 4.992 -5.563 -2.050 1.00 10.00 H new ATOM 0 HA ASP A 62 4.289 -7.743 -3.625 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.793 -6.402 -2.764 1.00 10.00 H new ATOM 0 HB3 ASP A 62 6.967 -8.041 -3.359 1.00 10.00 H new ATOM 937 N LYS A 63 5.309 -8.668 -0.634 1.00 10.00 N ATOM 938 CA LYS A 63 5.296 -9.748 0.353 1.00 10.00 C ATOM 939 C LYS A 63 3.979 -10.540 0.367 1.00 10.00 C ATOM 940 O LYS A 63 3.979 -11.711 0.743 1.00 10.00 O ATOM 941 CB LYS A 63 5.595 -9.175 1.754 1.00 10.00 C ATOM 942 CG LYS A 63 6.792 -9.825 2.457 1.00 10.00 C ATOM 943 CD LYS A 63 6.456 -11.221 2.990 1.00 10.00 C ATOM 944 CE LYS A 63 7.678 -11.800 3.719 1.00 10.00 C ATOM 945 NZ LYS A 63 7.415 -13.137 4.291 1.00 10.00 N ATOM 0 H LYS A 63 5.597 -7.774 -0.236 1.00 10.00 H new ATOM 0 HA LYS A 63 6.074 -10.455 0.065 1.00 10.00 H new ATOM 0 HB2 LYS A 63 5.778 -8.104 1.665 1.00 10.00 H new ATOM 0 HB3 LYS A 63 4.711 -9.296 2.380 1.00 10.00 H new ATOM 0 HG2 LYS A 63 7.628 -9.894 1.760 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.116 -9.190 3.282 1.00 10.00 H new ATOM 0 HD2 LYS A 63 5.606 -11.167 3.670 1.00 10.00 H new ATOM 0 HD3 LYS A 63 6.166 -11.875 2.168 1.00 10.00 H new ATOM 0 HE2 LYS A 63 8.515 -11.864 3.024 1.00 10.00 H new ATOM 0 HE3 LYS A 63 7.977 -11.120 4.516 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 8.270 -13.483 4.772 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 6.634 -13.074 4.975 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 7.155 -13.796 3.529 1.00 10.00 H new ATOM 959 N LEU A 64 2.858 -9.905 0.010 1.00 10.00 N ATOM 960 CA LEU A 64 1.543 -10.533 -0.057 1.00 10.00 C ATOM 961 C LEU A 64 1.282 -11.190 -1.420 1.00 10.00 C ATOM 962 O LEU A 64 0.406 -12.047 -1.506 1.00 10.00 O ATOM 963 CB LEU A 64 0.463 -9.498 0.274 1.00 10.00 C ATOM 964 CG LEU A 64 0.413 -9.117 1.760 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.371 -7.812 1.924 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.266 -10.208 2.601 1.00 10.00 C ATOM 0 H LEU A 64 2.844 -8.918 -0.245 1.00 10.00 H new ATOM 0 HA LEU A 64 1.512 -11.334 0.682 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.639 -8.599 -0.317 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.509 -9.891 -0.025 1.00 10.00 H new ATOM 0 HG LEU A 64 1.439 -8.999 2.109 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.408 -7.540 2.979 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.121 -7.019 1.361 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.385 -7.947 1.549 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.283 -9.903 3.647 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.287 -10.356 2.249 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.290 -11.141 2.504 1.00 10.00 H new ATOM 978 N GLY A 65 2.019 -10.816 -2.473 1.00 10.00 N ATOM 979 CA GLY A 65 2.004 -11.502 -3.761 1.00 10.00 C ATOM 980 C GLY A 65 1.792 -10.521 -4.910 1.00 10.00 C ATOM 981 O GLY A 65 2.589 -10.462 -5.844 1.00 10.00 O ATOM 0 H GLY A 65 2.651 -10.015 -2.449 1.00 10.00 H new ATOM 0 HA2 GLY A 65 2.945 -12.034 -3.903 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.211 -12.250 -3.768 1.00 10.00 H new ATOM 985 N TYR A 66 0.694 -9.766 -4.853 1.00 10.00 N ATOM 986 CA TYR A 66 0.403 -8.722 -5.829 1.00 10.00 C ATOM 987 C TYR A 66 1.451 -7.612 -5.751 1.00 10.00 C ATOM 988 O TYR A 66 2.071 -7.403 -4.710 1.00 10.00 O ATOM 989 CB TYR A 66 -1.015 -8.167 -5.649 1.00 10.00 C ATOM 990 CG TYR A 66 -1.564 -8.253 -4.244 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.974 -7.502 -3.212 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.512 -9.244 -3.934 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.384 -7.694 -1.886 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.896 -9.454 -2.602 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.386 -8.632 -1.589 1.00 10.00 C ATOM 996 OH TYR A 66 -2.885 -8.729 -0.328 1.00 10.00 O ATOM 0 H TYR A 66 -0.017 -9.863 -4.128 1.00 10.00 H new ATOM 0 HA TYR A 66 0.450 -9.164 -6.824 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -1.022 -7.123 -5.962 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.687 -8.705 -6.318 1.00 10.00 H new ATOM 0 HD1 TYR A 66 -0.206 -6.778 -3.441 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.944 -9.843 -4.722 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.929 -7.120 -1.092 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.585 -10.249 -2.357 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.648 -8.122 -0.230 1.00 10.00 H new ATOM 1006 N LYS A 67 1.639 -6.905 -6.864 1.00 10.00 N ATOM 1007 CA LYS A 67 2.643 -5.868 -7.012 1.00 10.00 C ATOM 1008 C LYS A 67 2.014 -4.493 -6.822 1.00 10.00 C ATOM 1009 O LYS A 67 0.798 -4.322 -6.876 1.00 10.00 O ATOM 1010 CB LYS A 67 3.316 -6.008 -8.387 1.00 10.00 C ATOM 1011 CG LYS A 67 4.418 -7.064 -8.306 1.00 10.00 C ATOM 1012 CD LYS A 67 4.869 -7.627 -9.662 1.00 10.00 C ATOM 1013 CE LYS A 67 5.296 -6.563 -10.688 1.00 10.00 C ATOM 1014 NZ LYS A 67 4.160 -6.021 -11.466 1.00 10.00 N ATOM 0 H LYS A 67 1.080 -7.046 -7.706 1.00 10.00 H new ATOM 0 HA LYS A 67 3.409 -5.979 -6.245 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.579 -6.292 -9.138 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.736 -5.051 -8.698 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.282 -6.630 -7.803 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.068 -7.888 -7.684 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.703 -8.310 -9.498 1.00 10.00 H new ATOM 0 HD3 LYS A 67 4.055 -8.215 -10.085 1.00 10.00 H new ATOM 0 HE2 LYS A 67 5.796 -5.746 -10.169 1.00 10.00 H new ATOM 0 HE3 LYS A 67 6.024 -6.998 -11.373 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 4.475 -5.802 -12.433 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 3.396 -6.726 -11.502 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 3.810 -5.154 -11.011 1.00 10.00 H new ATOM 1028 N LEU A 68 2.883 -3.510 -6.594 1.00 10.00 N ATOM 1029 CA LEU A 68 2.571 -2.116 -6.384 1.00 10.00 C ATOM 1030 C LEU A 68 3.752 -1.330 -6.936 1.00 10.00 C ATOM 1031 O LEU A 68 4.846 -1.888 -7.084 1.00 10.00 O ATOM 1032 CB LEU A 68 2.366 -1.887 -4.885 1.00 10.00 C ATOM 1033 CG LEU A 68 2.004 -0.454 -4.457 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.031 -0.523 -3.280 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.248 0.308 -3.973 1.00 10.00 C ATOM 0 H LEU A 68 3.886 -3.688 -6.550 1.00 10.00 H new ATOM 0 HA LEU A 68 1.658 -1.797 -6.886 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.577 -2.556 -4.542 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.279 -2.178 -4.366 1.00 10.00 H new ATOM 0 HG LEU A 68 1.570 0.058 -5.316 1.00 10.00 H new ATOM 0 HD11 LEU A 68 0.766 0.487 -2.967 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.130 -1.057 -3.583 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.502 -1.049 -2.449 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.964 1.318 -3.677 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.684 -0.212 -3.120 1.00 10.00 H new ATOM 0 HD23 LEU A 68 3.980 0.359 -4.779 1.00 10.00 H new ATOM 1047 N LYS A 69 3.526 -0.058 -7.243 1.00 10.00 N ATOM 1048 CA LYS A 69 4.509 0.903 -7.706 1.00 10.00 C ATOM 1049 C LYS A 69 3.976 2.303 -7.407 1.00 10.00 C ATOM 1050 O LYS A 69 2.781 2.459 -7.158 1.00 10.00 O ATOM 1051 CB LYS A 69 4.750 0.714 -9.206 1.00 10.00 C ATOM 1052 CG LYS A 69 3.438 0.762 -9.997 1.00 10.00 C ATOM 1053 CD LYS A 69 3.666 0.746 -11.511 1.00 10.00 C ATOM 1054 CE LYS A 69 2.299 0.507 -12.166 1.00 10.00 C ATOM 1055 NZ LYS A 69 2.363 0.337 -13.625 1.00 10.00 N ATOM 0 H LYS A 69 2.594 0.350 -7.169 1.00 10.00 H new ATOM 0 HA LYS A 69 5.462 0.760 -7.196 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.423 1.491 -9.568 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.245 -0.242 -9.378 1.00 10.00 H new ATOM 0 HG2 LYS A 69 2.817 -0.089 -9.717 1.00 10.00 H new ATOM 0 HG3 LYS A 69 2.886 1.662 -9.725 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.095 1.690 -11.847 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.369 -0.040 -11.787 1.00 10.00 H new ATOM 0 HE2 LYS A 69 1.845 -0.381 -11.725 1.00 10.00 H new ATOM 0 HE3 LYS A 69 1.644 1.347 -11.936 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 1.590 0.871 -14.071 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 3.276 0.691 -13.976 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 2.269 -0.671 -13.861 1.00 10.00 H new ATOM 1069 N LEU A 70 4.843 3.316 -7.453 1.00 10.00 N ATOM 1070 CA LEU A 70 4.438 4.694 -7.218 1.00 10.00 C ATOM 1071 C LEU A 70 3.516 5.192 -8.323 1.00 10.00 C ATOM 1072 O LEU A 70 3.644 4.789 -9.478 1.00 10.00 O ATOM 1073 CB LEU A 70 5.666 5.589 -6.987 1.00 10.00 C ATOM 1074 CG LEU A 70 5.474 7.117 -7.090 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.564 7.811 -6.263 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.594 7.636 -8.532 1.00 10.00 C ATOM 0 H LEU A 70 5.837 3.201 -7.653 1.00 10.00 H new ATOM 0 HA LEU A 70 3.851 4.741 -6.301 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.060 5.367 -5.995 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.432 5.299 -7.706 1.00 10.00 H new ATOM 0 HG LEU A 70 4.471 7.337 -6.725 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.438 8.892 -6.329 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.485 7.499 -5.222 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.545 7.536 -6.650 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.450 8.716 -8.543 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.583 7.398 -8.923 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.834 7.162 -9.154 1.00 10.00 H new ATOM 1088 N LYS A 71 2.594 6.079 -7.937 1.00 10.00 N ATOM 1089 CA LYS A 71 1.685 6.783 -8.822 1.00 10.00 C ATOM 1090 C LYS A 71 1.898 8.295 -8.714 1.00 10.00 C ATOM 1091 O LYS A 71 2.060 8.961 -9.734 1.00 10.00 O ATOM 1092 CB LYS A 71 0.245 6.347 -8.538 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.712 6.486 -9.722 1.00 10.00 C ATOM 1094 CD LYS A 71 -2.135 6.538 -9.150 1.00 10.00 C ATOM 1095 CE LYS A 71 -3.212 6.338 -10.218 1.00 10.00 C ATOM 1096 NZ LYS A 71 -3.620 4.920 -10.349 1.00 10.00 N ATOM 0 H LYS A 71 2.462 6.331 -6.957 1.00 10.00 H new ATOM 0 HA LYS A 71 1.894 6.522 -9.859 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.252 5.306 -8.215 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.141 6.936 -7.706 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -0.492 7.390 -10.290 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.603 5.645 -10.406 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.242 5.769 -8.384 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -2.290 7.499 -8.660 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -4.084 6.943 -9.969 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.839 6.696 -11.178 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -4.163 4.795 -11.227 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.774 4.316 -10.377 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -4.210 4.652 -9.536 1.00 10.00 H new ATOM 1110 N GLY A 72 1.932 8.841 -7.495 1.00 10.00 N ATOM 1111 CA GLY A 72 2.193 10.257 -7.278 1.00 10.00 C ATOM 1112 C GLY A 72 2.323 10.558 -5.788 1.00 10.00 C ATOM 1113 O GLY A 72 2.297 9.634 -4.972 1.00 10.00 O ATOM 0 H GLY A 72 1.779 8.311 -6.637 1.00 10.00 H new ATOM 0 HA2 GLY A 72 3.108 10.547 -7.794 1.00 10.00 H new ATOM 0 HA3 GLY A 72 1.385 10.851 -7.705 1.00 10.00 H new ATOM 1117 N GLU A 73 2.453 11.844 -5.446 1.00 10.00 N ATOM 1118 CA GLU A 73 2.537 12.332 -4.079 1.00 10.00 C ATOM 1119 C GLU A 73 1.733 13.629 -3.930 1.00 10.00 C ATOM 1120 O GLU A 73 1.670 14.433 -4.857 1.00 10.00 O ATOM 1121 CB GLU A 73 4.006 12.440 -3.631 1.00 10.00 C ATOM 1122 CG GLU A 73 4.913 13.224 -4.592 1.00 10.00 C ATOM 1123 CD GLU A 73 6.368 13.157 -4.140 1.00 10.00 C ATOM 1124 OE1 GLU A 73 6.955 12.064 -4.297 1.00 10.00 O ATOM 1125 OE2 GLU A 73 6.860 14.190 -3.640 1.00 10.00 O ATOM 0 H GLU A 73 2.504 12.591 -6.139 1.00 10.00 H new ATOM 0 HA GLU A 73 2.078 11.616 -3.398 1.00 10.00 H new ATOM 0 HB2 GLU A 73 4.039 12.917 -2.651 1.00 10.00 H new ATOM 0 HB3 GLU A 73 4.410 11.435 -3.510 1.00 10.00 H new ATOM 0 HG2 GLU A 73 4.821 12.817 -5.599 1.00 10.00 H new ATOM 0 HG3 GLU A 73 4.589 14.264 -4.638 1.00 10.00 H new ATOM 1132 N GLN A 74 1.091 13.786 -2.768 1.00 10.00 N ATOM 1133 CA GLN A 74 0.245 14.902 -2.361 1.00 10.00 C ATOM 1134 C GLN A 74 -0.899 15.229 -3.340 1.00 10.00 C ATOM 1135 O GLN A 74 -0.869 16.208 -4.086 1.00 10.00 O ATOM 1136 CB GLN A 74 1.090 16.116 -1.939 1.00 10.00 C ATOM 1137 CG GLN A 74 0.580 16.648 -0.593 1.00 10.00 C ATOM 1138 CD GLN A 74 1.224 17.971 -0.197 1.00 10.00 C ATOM 1139 OE1 GLN A 74 0.534 18.962 0.013 1.00 10.00 O ATOM 1140 NE2 GLN A 74 2.547 17.999 -0.064 1.00 10.00 N ATOM 0 H GLN A 74 1.157 13.080 -2.035 1.00 10.00 H new ATOM 0 HA GLN A 74 -0.293 14.574 -1.472 1.00 10.00 H new ATOM 0 HB2 GLN A 74 2.139 15.832 -1.856 1.00 10.00 H new ATOM 0 HB3 GLN A 74 1.030 16.896 -2.698 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -0.501 16.777 -0.645 1.00 10.00 H new ATOM 0 HG3 GLN A 74 0.776 15.908 0.183 1.00 10.00 H new ATOM 0 HE21 GLN A 74 3.096 17.159 -0.246 1.00 10.00 H new ATOM 0 HE22 GLN A 74 3.013 18.861 0.220 1.00 10.00 H new ATOM 1149 N ASP A 75 -1.975 14.449 -3.250 1.00 10.00 N ATOM 1150 CA ASP A 75 -3.252 14.627 -3.923 1.00 10.00 C ATOM 1151 C ASP A 75 -3.997 15.814 -3.309 1.00 10.00 C ATOM 1152 O ASP A 75 -5.006 15.672 -2.619 1.00 10.00 O ATOM 1153 CB ASP A 75 -4.072 13.327 -3.808 1.00 10.00 C ATOM 1154 CG ASP A 75 -4.283 12.882 -2.363 1.00 10.00 C ATOM 1155 OD1 ASP A 75 -3.253 12.802 -1.657 1.00 10.00 O ATOM 1156 OD2 ASP A 75 -5.448 12.644 -1.975 1.00 10.00 O ATOM 0 H ASP A 75 -1.972 13.616 -2.661 1.00 10.00 H new ATOM 0 HA ASP A 75 -3.093 14.841 -4.980 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -5.042 13.472 -4.283 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -3.564 12.534 -4.356 1.00 10.00 H new ATOM 1161 N SER A 76 -3.488 17.025 -3.523 1.00 10.00 N ATOM 1162 CA SER A 76 -4.126 18.240 -3.022 1.00 10.00 C ATOM 1163 C SER A 76 -3.953 19.422 -3.981 1.00 10.00 C ATOM 1164 O SER A 76 -3.333 20.417 -3.623 1.00 10.00 O ATOM 1165 CB SER A 76 -3.639 18.531 -1.593 1.00 10.00 C ATOM 1166 OG SER A 76 -4.035 17.481 -0.714 1.00 10.00 O ATOM 0 H SER A 76 -2.628 17.191 -4.045 1.00 10.00 H new ATOM 0 HA SER A 76 -5.203 18.079 -2.973 1.00 10.00 H new ATOM 0 HB2 SER A 76 -2.554 18.632 -1.585 1.00 10.00 H new ATOM 0 HB3 SER A 76 -4.050 19.479 -1.247 1.00 10.00 H new ATOM 0 HG SER A 76 -4.540 16.807 -1.216 1.00 10.00 H new ATOM 1172 N ILE A 77 -4.569 19.319 -5.168 1.00 10.00 N ATOM 1173 CA ILE A 77 -4.703 20.388 -6.161 1.00 10.00 C ATOM 1174 C ILE A 77 -3.324 20.935 -6.549 1.00 10.00 C ATOM 1175 O ILE A 77 -2.929 22.014 -6.115 1.00 10.00 O ATOM 1176 CB ILE A 77 -5.696 21.483 -5.696 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -7.082 20.871 -5.402 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -5.862 22.572 -6.775 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -7.980 21.799 -4.574 1.00 10.00 C ATOM 0 H ILE A 77 -5.006 18.449 -5.473 1.00 10.00 H new ATOM 0 HA ILE A 77 -5.141 19.970 -7.068 1.00 10.00 H new ATOM 0 HB ILE A 77 -5.287 21.928 -4.789 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -7.578 20.639 -6.344 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -6.952 19.929 -4.869 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -6.564 23.328 -6.424 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -4.897 23.037 -6.974 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -6.243 22.121 -7.691 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -8.941 21.315 -4.399 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -7.501 22.011 -3.618 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -8.137 22.732 -5.116 1.00 10.00 H new ATOM 1191 N GLU A 78 -2.608 20.186 -7.393 1.00 10.00 N ATOM 1192 CA GLU A 78 -1.293 20.559 -7.883 1.00 10.00 C ATOM 1193 C GLU A 78 -1.237 20.289 -9.391 1.00 10.00 C ATOM 1194 O GLU A 78 -1.288 19.138 -9.818 1.00 10.00 O ATOM 1195 CB GLU A 78 -0.233 19.768 -7.096 1.00 10.00 C ATOM 1196 CG GLU A 78 1.188 20.316 -7.282 1.00 10.00 C ATOM 1197 CD GLU A 78 1.347 21.712 -6.693 1.00 10.00 C ATOM 1198 OE1 GLU A 78 1.590 21.789 -5.469 1.00 10.00 O ATOM 1199 OE2 GLU A 78 1.217 22.672 -7.482 1.00 10.00 O ATOM 0 H GLU A 78 -2.937 19.291 -7.756 1.00 10.00 H new ATOM 0 HA GLU A 78 -1.091 21.619 -7.732 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -0.487 19.786 -6.036 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -0.258 18.725 -7.412 1.00 10.00 H new ATOM 0 HG2 GLU A 78 1.901 19.641 -6.809 1.00 10.00 H new ATOM 0 HG3 GLU A 78 1.430 20.342 -8.345 1.00 10.00 H new ATOM 1206 N GLY A 79 -1.158 21.348 -10.200 1.00 10.00 N ATOM 1207 CA GLY A 79 -0.918 21.249 -11.633 1.00 10.00 C ATOM 1208 C GLY A 79 -2.143 20.807 -12.441 1.00 10.00 C ATOM 1209 O GLY A 79 -3.112 21.557 -12.550 1.00 10.00 O ATOM 0 H GLY A 79 -1.261 22.308 -9.870 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -0.582 22.218 -12.003 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -0.106 20.543 -11.807 1.00 10.00 H new ATOM 1213 N ARG A 80 -2.063 19.637 -13.080 1.00 10.00 N ATOM 1214 CA ARG A 80 -3.011 19.126 -14.057 1.00 10.00 C ATOM 1215 C ARG A 80 -2.990 17.609 -13.898 1.00 10.00 C ATOM 1216 O ARG A 80 -1.878 17.112 -13.608 1.00 10.00 O ATOM 1217 CB ARG A 80 -2.523 19.499 -15.466 1.00 10.00 C ATOM 1218 CG ARG A 80 -3.490 19.101 -16.595 1.00 10.00 C ATOM 1219 CD ARG A 80 -4.552 20.180 -16.864 1.00 10.00 C ATOM 1220 NE ARG A 80 -5.016 20.161 -18.264 1.00 10.00 N ATOM 1221 CZ ARG A 80 -4.285 20.574 -19.313 1.00 10.00 C ATOM 1222 NH1 ARG A 80 -3.029 20.991 -19.121 1.00 10.00 N ATOM 1223 NH2 ARG A 80 -4.804 20.567 -20.547 1.00 10.00 N ATOM 1224 OXT ARG A 80 -4.056 16.990 -14.097 1.00 10.00 O ATOM 0 H ARG A 80 -1.291 18.991 -12.916 1.00 10.00 H new ATOM 0 HA ARG A 80 -4.012 19.534 -13.914 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -2.357 20.576 -15.508 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -1.559 19.021 -15.643 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -2.923 18.918 -17.508 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -3.984 18.165 -16.333 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -5.401 20.027 -16.198 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -4.139 21.162 -16.632 1.00 10.00 H new ATOM 0 HE ARG A 80 -5.956 19.810 -18.448 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -2.631 20.994 -18.182 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -2.469 21.306 -19.914 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -5.761 20.247 -20.696 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -4.243 20.882 -21.338 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -7.891 -11.921 -3.655 1.00 10.00 CU