USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 74 SER OG : rot 180:sc= 0.0302 USER MOD Set 1.2: A 75 GLN : amide:sc= -0.75 K(o=-0.72,f=0.77) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 157:sc= 0.596 (180deg=0.0765) USER MOD Set 2.2: A 13 TYR OH : rot -15:sc= -6.52! USER MOD Set 2.3: A 34 THR OG1 : rot -174:sc= 0.0049 USER MOD Single : A 0 MET CE :methyl -149:sc= -1.66 (180deg=-3.09!) USER MOD Single : A 0 MET N :NH3+ -155:sc= 0 (180deg=-0.0339) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -4.08! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.184 X(o=0.18,f=0) USER MOD Single : A 22 GLN : amide:sc= -3.05 K(o=-3,f=-1.5!) USER MOD Single : A 24 SER OG : rot 77:sc= 0.714 USER MOD Single : A 25 LYS NZ :NH3+ -119:sc= -0.0162 (180deg=-1.24!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 24:sc= 0.11 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : A 55 LYS NZ :NH3+ -122:sc= -0.0528 (180deg=-1.08) USER MOD Single : A 56 ASN : amide:sc= -4.3! K(o=-4.3!,f=-2) USER MOD Single : A 62 SER OG : rot 180:sc= -0.736 USER MOD Single : A 67 GLN : amide:sc= 0.0896 K(o=0.09,f=-0.67) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 4.626 3.451 4.602 1.00 0.00 N ATOM 2 CA MET A 0 4.869 4.396 5.728 1.00 0.00 C ATOM 3 C MET A 0 6.323 4.870 5.693 1.00 0.00 C ATOM 4 O MET A 0 7.122 4.511 6.535 1.00 0.00 O ATOM 5 CB MET A 0 4.595 3.687 7.056 1.00 0.00 C ATOM 6 CG MET A 0 4.900 4.639 8.212 1.00 0.00 C ATOM 7 SD MET A 0 5.613 3.709 9.590 1.00 0.00 S ATOM 8 CE MET A 0 4.480 2.298 9.531 1.00 0.00 C ATOM 0 H1 MET A 0 3.615 3.456 4.356 1.00 0.00 H new ATOM 0 H2 MET A 0 5.185 3.745 3.775 1.00 0.00 H new ATOM 0 H3 MET A 0 4.908 2.491 4.887 1.00 0.00 H new ATOM 0 HA MET A 0 4.205 5.255 5.631 1.00 0.00 H new ATOM 0 HB2 MET A 0 3.555 3.364 7.101 1.00 0.00 H new ATOM 0 HB3 MET A 0 5.210 2.791 7.136 1.00 0.00 H new ATOM 0 HG2 MET A 0 5.593 5.414 7.885 1.00 0.00 H new ATOM 0 HG3 MET A 0 3.988 5.142 8.533 1.00 0.00 H new ATOM 0 HE1 MET A 0 4.348 1.895 10.535 1.00 0.00 H new ATOM 0 HE2 MET A 0 3.515 2.622 9.141 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.893 1.526 8.882 1.00 0.00 H new ATOM 18 N LYS A 1 6.674 5.672 4.724 1.00 0.00 N ATOM 19 CA LYS A 1 8.076 6.161 4.637 1.00 0.00 C ATOM 20 C LYS A 1 8.419 6.971 5.882 1.00 0.00 C ATOM 21 O LYS A 1 7.629 7.758 6.359 1.00 0.00 O ATOM 22 CB LYS A 1 8.236 7.036 3.396 1.00 0.00 C ATOM 23 CG LYS A 1 9.685 6.966 2.906 1.00 0.00 C ATOM 24 CD LYS A 1 10.288 8.370 2.886 1.00 0.00 C ATOM 25 CE LYS A 1 11.572 8.386 3.718 1.00 0.00 C ATOM 26 NZ LYS A 1 12.708 7.901 2.885 1.00 0.00 N ATOM 0 H LYS A 1 6.050 6.008 3.991 1.00 0.00 H new ATOM 0 HA LYS A 1 8.750 5.307 4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 1 7.559 6.700 2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 1 7.969 8.067 3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 1 10.269 6.318 3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 1 9.721 6.529 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 1 10.503 8.670 1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 1 9.574 9.090 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 1 11.774 9.396 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 1 11.456 7.753 4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 13.582 7.911 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 12.514 6.931 2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 12.822 8.522 2.059 1.00 0.00 H new ATOM 40 N SER A 2 9.595 6.776 6.412 1.00 0.00 N ATOM 41 CA SER A 2 10.004 7.515 7.632 1.00 0.00 C ATOM 42 C SER A 2 11.345 6.921 8.095 1.00 0.00 C ATOM 43 O SER A 2 11.885 6.078 7.411 1.00 0.00 O ATOM 44 CB SER A 2 8.924 7.327 8.699 1.00 0.00 C ATOM 45 OG SER A 2 9.360 6.361 9.644 1.00 0.00 O ATOM 0 H SER A 2 10.294 6.130 6.046 1.00 0.00 H new ATOM 0 HA SER A 2 10.120 8.583 7.445 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.721 8.275 9.198 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.992 7.004 8.236 1.00 0.00 H new ATOM 0 HG SER A 2 8.670 6.240 10.330 1.00 0.00 H new ATOM 51 N PRO A 3 11.855 7.361 9.224 1.00 0.00 N ATOM 52 CA PRO A 3 13.144 6.850 9.743 1.00 0.00 C ATOM 53 C PRO A 3 13.192 5.301 9.726 1.00 0.00 C ATOM 54 O PRO A 3 12.975 4.668 10.740 1.00 0.00 O ATOM 55 CB PRO A 3 13.205 7.375 11.184 1.00 0.00 C ATOM 56 CG PRO A 3 12.085 8.433 11.343 1.00 0.00 C ATOM 57 CD PRO A 3 11.214 8.384 10.078 1.00 0.00 C ATOM 0 HA PRO A 3 13.987 7.179 9.135 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.066 6.560 11.895 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.180 7.816 11.390 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.485 8.225 12.229 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.513 9.427 11.474 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.185 8.114 10.315 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.183 9.353 9.580 1.00 0.00 H new ATOM 65 N GLU A 4 13.490 4.679 8.597 1.00 0.00 N ATOM 66 CA GLU A 4 13.559 3.186 8.558 1.00 0.00 C ATOM 67 C GLU A 4 12.176 2.579 8.782 1.00 0.00 C ATOM 68 O GLU A 4 12.015 1.640 9.535 1.00 0.00 O ATOM 69 CB GLU A 4 14.508 2.690 9.647 1.00 0.00 C ATOM 70 CG GLU A 4 15.648 3.692 9.827 1.00 0.00 C ATOM 71 CD GLU A 4 16.926 2.943 10.209 1.00 0.00 C ATOM 72 OE1 GLU A 4 16.813 1.838 10.717 1.00 0.00 O ATOM 73 OE2 GLU A 4 17.996 3.486 9.988 1.00 0.00 O ATOM 0 H GLU A 4 13.686 5.145 7.711 1.00 0.00 H new ATOM 0 HA GLU A 4 13.925 2.880 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.968 2.566 10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.908 1.713 9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.803 4.252 8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.392 4.416 10.601 1.00 0.00 H new ATOM 80 N GLU A 5 11.182 3.097 8.126 1.00 0.00 N ATOM 81 CA GLU A 5 9.813 2.538 8.289 1.00 0.00 C ATOM 82 C GLU A 5 9.163 2.346 6.917 1.00 0.00 C ATOM 83 O GLU A 5 8.047 1.881 6.807 1.00 0.00 O ATOM 84 CB GLU A 5 8.982 3.479 9.130 1.00 0.00 C ATOM 85 CG GLU A 5 8.538 2.756 10.400 1.00 0.00 C ATOM 86 CD GLU A 5 9.706 2.679 11.385 1.00 0.00 C ATOM 87 OE1 GLU A 5 10.643 3.444 11.224 1.00 0.00 O ATOM 88 OE2 GLU A 5 9.642 1.859 12.285 1.00 0.00 O ATOM 0 H GLU A 5 11.256 3.885 7.482 1.00 0.00 H new ATOM 0 HA GLU A 5 9.873 1.570 8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.562 4.366 9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.112 3.818 8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.700 3.283 10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.189 1.753 10.156 1.00 0.00 H new ATOM 95 N LEU A 6 9.868 2.673 5.869 1.00 0.00 N ATOM 96 CA LEU A 6 9.319 2.486 4.509 1.00 0.00 C ATOM 97 C LEU A 6 9.515 1.024 4.111 1.00 0.00 C ATOM 98 O LEU A 6 8.649 0.411 3.520 1.00 0.00 O ATOM 99 CB LEU A 6 10.016 3.452 3.536 1.00 0.00 C ATOM 100 CG LEU A 6 10.394 2.745 2.241 1.00 0.00 C ATOM 101 CD1 LEU A 6 9.137 2.174 1.586 1.00 0.00 C ATOM 102 CD2 LEU A 6 11.066 3.741 1.291 1.00 0.00 C ATOM 0 H LEU A 6 10.809 3.065 5.904 1.00 0.00 H new ATOM 0 HA LEU A 6 8.253 2.712 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.356 4.292 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.910 3.863 4.004 1.00 0.00 H new ATOM 0 HG LEU A 6 11.087 1.933 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.407 1.668 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.665 1.462 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.441 2.984 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.336 3.234 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.376 4.556 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.964 4.142 1.760 1.00 0.00 H new ATOM 114 N LYS A 7 10.646 0.458 4.438 1.00 0.00 N ATOM 115 CA LYS A 7 10.872 -0.970 4.079 1.00 0.00 C ATOM 116 C LYS A 7 10.192 -1.873 5.112 1.00 0.00 C ATOM 117 O LYS A 7 10.372 -3.075 5.114 1.00 0.00 O ATOM 118 CB LYS A 7 12.369 -1.274 4.027 1.00 0.00 C ATOM 119 CG LYS A 7 12.647 -2.201 2.840 1.00 0.00 C ATOM 120 CD LYS A 7 14.144 -2.499 2.758 1.00 0.00 C ATOM 121 CE LYS A 7 14.600 -2.406 1.302 1.00 0.00 C ATOM 122 NZ LYS A 7 15.131 -1.038 1.039 1.00 0.00 N ATOM 0 H LYS A 7 11.413 0.916 4.931 1.00 0.00 H new ATOM 0 HA LYS A 7 10.444 -1.160 3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.938 -0.350 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.690 -1.745 4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.087 -3.130 2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.308 -1.735 1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.701 -1.791 3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.350 -3.494 3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.369 -3.152 1.101 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.766 -2.620 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.442 -0.971 0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.384 -0.336 1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.937 -0.852 1.669 1.00 0.00 H new ATOM 136 N GLY A 8 9.410 -1.305 5.991 1.00 0.00 N ATOM 137 CA GLY A 8 8.719 -2.133 7.017 1.00 0.00 C ATOM 138 C GLY A 8 7.333 -2.524 6.500 1.00 0.00 C ATOM 139 O GLY A 8 6.918 -3.661 6.607 1.00 0.00 O ATOM 0 H GLY A 8 9.221 -0.304 6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.304 -3.026 7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.628 -1.576 7.950 1.00 0.00 H new ATOM 143 N ILE A 9 6.616 -1.590 5.935 1.00 0.00 N ATOM 144 CA ILE A 9 5.264 -1.905 5.407 1.00 0.00 C ATOM 145 C ILE A 9 5.380 -3.028 4.390 1.00 0.00 C ATOM 146 O ILE A 9 4.818 -4.084 4.543 1.00 0.00 O ATOM 147 CB ILE A 9 4.685 -0.655 4.749 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.453 -1.017 3.919 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.740 0.057 3.893 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.865 -1.624 2.593 1.00 0.00 C ATOM 0 H ILE A 9 6.912 -0.621 5.818 1.00 0.00 H new ATOM 0 HA ILE A 9 4.605 -2.222 6.215 1.00 0.00 H new ATOM 0 HB ILE A 9 4.379 0.037 5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.830 -1.722 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.849 -0.126 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.300 0.944 3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.580 0.352 4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.090 -0.618 3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.975 -1.875 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.468 -0.907 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.449 -2.527 2.772 1.00 0.00 H new ATOM 162 N PHE A 10 6.109 -2.809 3.352 1.00 0.00 N ATOM 163 CA PHE A 10 6.270 -3.871 2.337 1.00 0.00 C ATOM 164 C PHE A 10 6.478 -5.257 2.970 1.00 0.00 C ATOM 165 O PHE A 10 5.571 -6.058 3.052 1.00 0.00 O ATOM 166 CB PHE A 10 7.441 -3.523 1.418 1.00 0.00 C ATOM 167 CG PHE A 10 6.987 -3.298 0.005 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.675 -2.933 -0.320 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.905 -3.574 -1.002 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.294 -2.858 -1.669 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.535 -3.478 -2.329 1.00 0.00 C ATOM 172 CZ PHE A 10 6.236 -3.133 -2.673 1.00 0.00 C ATOM 0 H PHE A 10 6.604 -1.939 3.157 1.00 0.00 H new ATOM 0 HA PHE A 10 5.348 -3.923 1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.940 -2.627 1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.174 -4.329 1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.962 -2.711 0.460 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.913 -3.865 -0.745 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.282 -2.590 -1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.262 -3.673 -3.104 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.950 -3.076 -3.713 1.00 0.00 H new ATOM 182 N GLU A 11 7.657 -5.555 3.417 1.00 0.00 N ATOM 183 CA GLU A 11 7.919 -6.891 4.034 1.00 0.00 C ATOM 184 C GLU A 11 6.803 -7.243 5.024 1.00 0.00 C ATOM 185 O GLU A 11 6.613 -8.382 5.399 1.00 0.00 O ATOM 186 CB GLU A 11 9.253 -6.837 4.773 1.00 0.00 C ATOM 187 CG GLU A 11 10.401 -6.972 3.770 1.00 0.00 C ATOM 188 CD GLU A 11 10.303 -5.889 2.694 1.00 0.00 C ATOM 189 OE1 GLU A 11 10.490 -4.731 3.030 1.00 0.00 O ATOM 190 OE2 GLU A 11 10.045 -6.235 1.554 1.00 0.00 O ATOM 0 H GLU A 11 8.463 -4.930 3.385 1.00 0.00 H new ATOM 0 HA GLU A 11 7.951 -7.652 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.341 -5.897 5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.305 -7.638 5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.356 -6.892 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.372 -7.958 3.306 1.00 0.00 H new ATOM 197 N LYS A 12 6.076 -6.262 5.446 1.00 0.00 N ATOM 198 CA LYS A 12 4.956 -6.486 6.411 1.00 0.00 C ATOM 199 C LYS A 12 3.685 -6.881 5.653 1.00 0.00 C ATOM 200 O LYS A 12 3.361 -8.044 5.519 1.00 0.00 O ATOM 201 CB LYS A 12 4.702 -5.212 7.223 1.00 0.00 C ATOM 202 CG LYS A 12 3.444 -5.396 8.073 1.00 0.00 C ATOM 203 CD LYS A 12 3.585 -4.618 9.379 1.00 0.00 C ATOM 204 CE LYS A 12 2.883 -5.387 10.497 1.00 0.00 C ATOM 205 NZ LYS A 12 1.810 -4.540 11.086 1.00 0.00 N ATOM 0 H LYS A 12 6.205 -5.291 5.163 1.00 0.00 H new ATOM 0 HA LYS A 12 5.231 -7.292 7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.558 -4.998 7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.582 -4.359 6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.569 -5.048 7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.288 -6.454 8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.638 -4.479 9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.148 -3.625 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.458 -6.311 10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.602 -5.668 11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.100 -5.147 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.223 -3.898 11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.356 -3.983 10.335 1.00 0.00 H new ATOM 219 N TYR A 13 2.960 -5.908 5.163 1.00 0.00 N ATOM 220 CA TYR A 13 1.705 -6.197 4.419 1.00 0.00 C ATOM 221 C TYR A 13 2.045 -6.674 3.009 1.00 0.00 C ATOM 222 O TYR A 13 1.363 -7.511 2.453 1.00 0.00 O ATOM 223 CB TYR A 13 0.863 -4.922 4.312 1.00 0.00 C ATOM 224 CG TYR A 13 0.731 -4.270 5.668 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.740 -3.419 6.139 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.403 -4.512 6.452 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.614 -2.813 7.393 1.00 0.00 C ATOM 228 CE2 TYR A 13 -0.527 -3.906 7.707 1.00 0.00 C ATOM 229 CZ TYR A 13 0.481 -3.060 8.179 1.00 0.00 C ATOM 230 OH TYR A 13 0.361 -2.470 9.418 1.00 0.00 O ATOM 0 H TYR A 13 3.189 -4.918 5.249 1.00 0.00 H new ATOM 0 HA TYR A 13 1.147 -6.968 4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.327 -4.229 3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.125 -5.161 3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.615 -3.231 5.534 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.182 -5.166 6.088 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.390 -2.155 7.755 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.402 -4.092 8.312 1.00 0.00 H new ATOM 0 HH TYR A 13 1.231 -2.116 9.697 1.00 0.00 H new ATOM 240 N ALA A 14 3.096 -6.172 2.415 1.00 0.00 N ATOM 241 CA ALA A 14 3.433 -6.650 1.050 1.00 0.00 C ATOM 242 C ALA A 14 3.824 -8.123 1.152 1.00 0.00 C ATOM 243 O ALA A 14 3.693 -8.870 0.210 1.00 0.00 O ATOM 244 CB ALA A 14 4.610 -5.843 0.466 1.00 0.00 C ATOM 0 H ALA A 14 3.721 -5.468 2.808 1.00 0.00 H new ATOM 0 HA ALA A 14 2.574 -6.521 0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.841 -6.209 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.338 -4.789 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.484 -5.960 1.106 1.00 0.00 H new ATOM 250 N ASP A 15 4.300 -8.535 2.307 1.00 0.00 N ATOM 251 CA ASP A 15 4.721 -9.957 2.508 1.00 0.00 C ATOM 252 C ASP A 15 3.493 -10.825 2.737 1.00 0.00 C ATOM 253 O ASP A 15 3.546 -12.037 2.656 1.00 0.00 O ATOM 254 CB ASP A 15 5.642 -10.052 3.727 1.00 0.00 C ATOM 255 CG ASP A 15 6.176 -11.480 3.858 1.00 0.00 C ATOM 256 OD1 ASP A 15 5.928 -12.269 2.961 1.00 0.00 O ATOM 257 OD2 ASP A 15 6.826 -11.759 4.851 1.00 0.00 O ATOM 0 H ASP A 15 4.415 -7.938 3.126 1.00 0.00 H new ATOM 0 HA ASP A 15 5.252 -10.303 1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.471 -9.351 3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.098 -9.772 4.629 1.00 0.00 H new ATOM 262 N LYS A 16 2.387 -10.210 3.023 1.00 0.00 N ATOM 263 CA LYS A 16 1.144 -10.977 3.261 1.00 0.00 C ATOM 264 C LYS A 16 0.725 -11.693 1.970 1.00 0.00 C ATOM 265 O LYS A 16 -0.180 -12.504 1.967 1.00 0.00 O ATOM 266 CB LYS A 16 0.062 -9.996 3.700 1.00 0.00 C ATOM 267 CG LYS A 16 -0.302 -10.259 5.163 1.00 0.00 C ATOM 268 CD LYS A 16 0.197 -9.098 6.026 1.00 0.00 C ATOM 269 CE LYS A 16 -0.068 -9.400 7.502 1.00 0.00 C ATOM 270 NZ LYS A 16 0.803 -8.538 8.349 1.00 0.00 N ATOM 0 H LYS A 16 2.291 -9.198 3.103 1.00 0.00 H new ATOM 0 HA LYS A 16 1.298 -11.729 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.415 -8.972 3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.820 -10.105 3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.382 -10.367 5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.145 -11.195 5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.264 -8.943 5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.307 -8.175 5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.117 -9.220 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.130 -10.451 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.623 -8.743 9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.801 -8.731 8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.593 -7.538 8.157 1.00 0.00 H new ATOM 284 N GLU A 17 1.379 -11.404 0.873 1.00 0.00 N ATOM 285 CA GLU A 17 1.021 -12.071 -0.413 1.00 0.00 C ATOM 286 C GLU A 17 2.269 -12.729 -1.017 1.00 0.00 C ATOM 287 O GLU A 17 2.739 -12.339 -2.066 1.00 0.00 O ATOM 288 CB GLU A 17 0.482 -11.027 -1.393 1.00 0.00 C ATOM 289 CG GLU A 17 1.498 -9.892 -1.527 1.00 0.00 C ATOM 290 CD GLU A 17 0.948 -8.637 -0.847 1.00 0.00 C ATOM 291 OE1 GLU A 17 1.029 -8.563 0.368 1.00 0.00 O ATOM 292 OE2 GLU A 17 0.456 -7.773 -1.555 1.00 0.00 O ATOM 0 H GLU A 17 2.146 -10.734 0.814 1.00 0.00 H new ATOM 0 HA GLU A 17 0.262 -12.830 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.299 -11.484 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.472 -10.637 -1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.445 -10.181 -1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.699 -9.691 -2.579 1.00 0.00 H new ATOM 299 N GLY A 18 2.805 -13.726 -0.366 1.00 0.00 N ATOM 300 CA GLY A 18 4.018 -14.403 -0.910 1.00 0.00 C ATOM 301 C GLY A 18 5.262 -13.563 -0.600 1.00 0.00 C ATOM 302 O GLY A 18 5.883 -13.719 0.433 1.00 0.00 O ATOM 0 H GLY A 18 2.457 -14.100 0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.119 -15.396 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.918 -14.539 -1.987 1.00 0.00 H new ATOM 306 N ASP A 19 5.631 -12.675 -1.485 1.00 0.00 N ATOM 307 CA ASP A 19 6.836 -11.830 -1.228 1.00 0.00 C ATOM 308 C ASP A 19 6.421 -10.614 -0.424 1.00 0.00 C ATOM 309 O ASP A 19 5.262 -10.306 -0.319 1.00 0.00 O ATOM 310 CB ASP A 19 7.434 -11.328 -2.541 1.00 0.00 C ATOM 311 CG ASP A 19 8.960 -11.427 -2.486 1.00 0.00 C ATOM 312 OD1 ASP A 19 9.505 -11.292 -1.403 1.00 0.00 O ATOM 313 OD2 ASP A 19 9.558 -11.634 -3.530 1.00 0.00 O ATOM 0 H ASP A 19 5.154 -12.498 -2.369 1.00 0.00 H new ATOM 0 HA ASP A 19 7.570 -12.433 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.052 -11.918 -3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.133 -10.295 -2.717 1.00 0.00 H new ATOM 318 N GLY A 20 7.379 -9.899 0.079 1.00 0.00 N ATOM 319 CA GLY A 20 7.101 -8.647 0.842 1.00 0.00 C ATOM 320 C GLY A 20 7.652 -7.507 0.006 1.00 0.00 C ATOM 321 O GLY A 20 7.948 -6.436 0.500 1.00 0.00 O ATOM 0 H GLY A 20 8.369 -10.131 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.031 -8.524 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.577 -8.675 1.822 1.00 0.00 H new ATOM 325 N ASN A 21 7.806 -7.744 -1.271 1.00 0.00 N ATOM 326 CA ASN A 21 8.351 -6.697 -2.151 1.00 0.00 C ATOM 327 C ASN A 21 7.263 -6.224 -3.120 1.00 0.00 C ATOM 328 O ASN A 21 7.484 -5.374 -3.955 1.00 0.00 O ATOM 329 CB ASN A 21 9.546 -7.256 -2.922 1.00 0.00 C ATOM 330 CG ASN A 21 10.740 -7.387 -1.975 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.422 -6.419 -1.704 1.00 0.00 O ATOM 332 ND2 ASN A 21 11.021 -8.550 -1.455 1.00 0.00 N ATOM 0 H ASN A 21 7.574 -8.623 -1.733 1.00 0.00 H new ATOM 0 HA ASN A 21 8.681 -5.847 -1.554 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.297 -8.228 -3.348 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.797 -6.598 -3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.814 -8.647 -0.820 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.448 -9.362 -1.683 1.00 0.00 H new ATOM 339 N GLN A 22 6.083 -6.758 -3.004 1.00 0.00 N ATOM 340 CA GLN A 22 4.966 -6.303 -3.891 1.00 0.00 C ATOM 341 C GLN A 22 3.675 -6.294 -3.066 1.00 0.00 C ATOM 342 O GLN A 22 3.531 -7.031 -2.112 1.00 0.00 O ATOM 343 CB GLN A 22 4.803 -7.200 -5.122 1.00 0.00 C ATOM 344 CG GLN A 22 6.165 -7.673 -5.634 1.00 0.00 C ATOM 345 CD GLN A 22 6.367 -9.136 -5.246 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.425 -9.904 -5.218 1.00 0.00 O ATOM 347 NE2 GLN A 22 7.561 -9.561 -4.945 1.00 0.00 N ATOM 0 H GLN A 22 5.838 -7.489 -2.336 1.00 0.00 H new ATOM 0 HA GLN A 22 5.196 -5.304 -4.261 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.185 -8.062 -4.870 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.283 -6.654 -5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.219 -7.561 -6.717 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.960 -7.059 -5.210 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.352 -8.918 -4.968 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.705 -10.537 -4.686 1.00 0.00 H new ATOM 356 N LEU A 23 2.762 -5.420 -3.389 1.00 0.00 N ATOM 357 CA LEU A 23 1.511 -5.304 -2.587 1.00 0.00 C ATOM 358 C LEU A 23 0.254 -5.551 -3.434 1.00 0.00 C ATOM 359 O LEU A 23 0.323 -5.983 -4.556 1.00 0.00 O ATOM 360 CB LEU A 23 1.473 -3.877 -2.055 1.00 0.00 C ATOM 361 CG LEU A 23 1.944 -3.880 -0.612 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.232 -2.449 -0.166 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.860 -4.491 0.278 1.00 0.00 C ATOM 0 H LEU A 23 2.829 -4.778 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 23 1.515 -6.052 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.111 -3.232 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.461 -3.476 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 23 2.855 -4.473 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.570 -2.452 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.008 -2.020 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.324 -1.852 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.198 -4.493 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.053 -3.902 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.661 -5.514 -0.041 1.00 0.00 H new ATOM 375 N SER A 24 -0.900 -5.263 -2.876 1.00 0.00 N ATOM 376 CA SER A 24 -2.171 -5.425 -3.577 1.00 0.00 C ATOM 377 C SER A 24 -3.137 -4.431 -2.920 1.00 0.00 C ATOM 378 O SER A 24 -2.749 -3.668 -2.059 1.00 0.00 O ATOM 379 CB SER A 24 -2.671 -6.852 -3.399 1.00 0.00 C ATOM 380 OG SER A 24 -1.586 -7.684 -3.015 1.00 0.00 O ATOM 0 H SER A 24 -0.993 -4.909 -1.924 1.00 0.00 H new ATOM 0 HA SER A 24 -2.079 -5.239 -4.647 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.454 -6.883 -2.642 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.111 -7.214 -4.328 1.00 0.00 H new ATOM 0 HG SER A 24 -1.385 -7.542 -2.066 1.00 0.00 H new ATOM 386 N LYS A 25 -4.372 -4.416 -3.304 1.00 0.00 N ATOM 387 CA LYS A 25 -5.327 -3.452 -2.681 1.00 0.00 C ATOM 388 C LYS A 25 -5.799 -3.972 -1.320 1.00 0.00 C ATOM 389 O LYS A 25 -6.203 -3.210 -0.464 1.00 0.00 O ATOM 390 CB LYS A 25 -6.529 -3.271 -3.596 1.00 0.00 C ATOM 391 CG LYS A 25 -7.098 -1.860 -3.417 1.00 0.00 C ATOM 392 CD LYS A 25 -7.470 -1.276 -4.782 1.00 0.00 C ATOM 393 CE LYS A 25 -8.518 -2.169 -5.450 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.328 -1.360 -6.406 1.00 0.00 N ATOM 0 H LYS A 25 -4.769 -5.024 -4.020 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.821 -2.497 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.236 -3.428 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.292 -4.015 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.976 -1.891 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.364 -1.221 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.860 -0.265 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.584 -1.203 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.030 -2.990 -5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.166 -2.614 -4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.326 -1.374 -6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.982 -0.379 -6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.241 -1.762 -7.361 1.00 0.00 H new ATOM 408 N GLU A 26 -5.757 -5.258 -1.113 1.00 0.00 N ATOM 409 CA GLU A 26 -6.213 -5.818 0.191 1.00 0.00 C ATOM 410 C GLU A 26 -5.110 -5.661 1.239 1.00 0.00 C ATOM 411 O GLU A 26 -5.301 -5.966 2.399 1.00 0.00 O ATOM 412 CB GLU A 26 -6.537 -7.303 0.019 1.00 0.00 C ATOM 413 CG GLU A 26 -7.855 -7.458 -0.741 1.00 0.00 C ATOM 414 CD GLU A 26 -7.624 -8.291 -2.003 1.00 0.00 C ATOM 415 OE1 GLU A 26 -7.032 -9.352 -1.890 1.00 0.00 O ATOM 416 OE2 GLU A 26 -8.046 -7.856 -3.062 1.00 0.00 O ATOM 0 H GLU A 26 -5.427 -5.946 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.102 -5.281 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.733 -7.800 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.609 -7.785 0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.598 -7.940 -0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.251 -6.478 -1.007 1.00 0.00 H new ATOM 423 N GLU A 27 -3.952 -5.204 0.845 1.00 0.00 N ATOM 424 CA GLU A 27 -2.849 -5.054 1.835 1.00 0.00 C ATOM 425 C GLU A 27 -2.528 -3.578 2.067 1.00 0.00 C ATOM 426 O GLU A 27 -1.776 -3.237 2.957 1.00 0.00 O ATOM 427 CB GLU A 27 -1.606 -5.775 1.318 1.00 0.00 C ATOM 428 CG GLU A 27 -1.856 -7.284 1.331 1.00 0.00 C ATOM 429 CD GLU A 27 -2.893 -7.640 0.268 1.00 0.00 C ATOM 430 OE1 GLU A 27 -2.544 -7.625 -0.899 1.00 0.00 O ATOM 431 OE2 GLU A 27 -4.019 -7.924 0.639 1.00 0.00 O ATOM 0 H GLU A 27 -3.724 -4.930 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.165 -5.491 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.372 -5.442 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.745 -5.532 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.926 -7.819 1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.207 -7.596 2.315 1.00 0.00 H new ATOM 438 N LEU A 28 -3.105 -2.689 1.306 1.00 0.00 N ATOM 439 CA LEU A 28 -2.839 -1.254 1.529 1.00 0.00 C ATOM 440 C LEU A 28 -3.884 -0.785 2.541 1.00 0.00 C ATOM 441 O LEU A 28 -3.636 0.031 3.401 1.00 0.00 O ATOM 442 CB LEU A 28 -2.951 -0.532 0.182 1.00 0.00 C ATOM 443 CG LEU A 28 -3.686 0.794 0.339 1.00 0.00 C ATOM 444 CD1 LEU A 28 -3.017 1.629 1.432 1.00 0.00 C ATOM 445 CD2 LEU A 28 -3.644 1.561 -0.981 1.00 0.00 C ATOM 0 H LEU A 28 -3.747 -2.901 0.542 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.843 -1.048 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.955 -0.355 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.480 -1.164 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.722 0.599 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.545 2.576 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.049 1.085 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.980 1.822 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.170 2.509 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.607 1.752 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.125 0.970 -1.761 1.00 0.00 H new ATOM 457 N LYS A 29 -5.038 -1.359 2.459 1.00 0.00 N ATOM 458 CA LYS A 29 -6.106 -1.075 3.390 1.00 0.00 C ATOM 459 C LYS A 29 -5.610 -1.369 4.803 1.00 0.00 C ATOM 460 O LYS A 29 -5.862 -0.632 5.735 1.00 0.00 O ATOM 461 CB LYS A 29 -7.199 -2.033 3.027 1.00 0.00 C ATOM 462 CG LYS A 29 -8.283 -1.864 4.039 1.00 0.00 C ATOM 463 CD LYS A 29 -9.577 -2.407 3.467 1.00 0.00 C ATOM 464 CE LYS A 29 -10.674 -2.409 4.556 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.858 -3.167 4.060 1.00 0.00 N ATOM 0 H LYS A 29 -5.279 -2.045 1.743 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.443 -0.039 3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.573 -1.829 2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.829 -3.058 3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.026 -2.391 4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.397 -0.811 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.894 -1.798 2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.423 -3.419 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.294 -2.864 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.960 -1.386 4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.599 -3.171 4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.224 -2.714 3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.579 -4.146 3.845 1.00 0.00 H new ATOM 479 N LEU A 30 -4.894 -2.454 4.959 1.00 0.00 N ATOM 480 CA LEU A 30 -4.360 -2.825 6.299 1.00 0.00 C ATOM 481 C LEU A 30 -3.328 -1.787 6.743 1.00 0.00 C ATOM 482 O LEU A 30 -3.083 -1.604 7.919 1.00 0.00 O ATOM 483 CB LEU A 30 -3.694 -4.201 6.211 1.00 0.00 C ATOM 484 CG LEU A 30 -4.646 -5.189 5.536 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.992 -6.571 5.482 1.00 0.00 C ATOM 486 CD2 LEU A 30 -5.947 -5.272 6.335 1.00 0.00 C ATOM 0 H LEU A 30 -4.656 -3.102 4.208 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.175 -2.857 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.765 -4.131 5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.434 -4.555 7.209 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.863 -4.849 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.670 -7.276 5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.065 -6.513 4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.774 -6.910 6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.625 -5.976 5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.731 -5.611 7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.414 -4.288 6.374 1.00 0.00 H new ATOM 498 N LEU A 31 -2.728 -1.097 5.812 1.00 0.00 N ATOM 499 CA LEU A 31 -1.726 -0.065 6.191 1.00 0.00 C ATOM 500 C LEU A 31 -2.437 0.998 7.012 1.00 0.00 C ATOM 501 O LEU A 31 -2.251 1.105 8.199 1.00 0.00 O ATOM 502 CB LEU A 31 -1.135 0.586 4.939 1.00 0.00 C ATOM 503 CG LEU A 31 0.137 -0.141 4.518 1.00 0.00 C ATOM 504 CD1 LEU A 31 -0.200 -1.575 4.107 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.755 0.593 3.329 1.00 0.00 C ATOM 0 H LEU A 31 -2.888 -1.203 4.810 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.919 -0.526 6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.863 0.559 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.915 1.635 5.135 1.00 0.00 H new ATOM 0 HG LEU A 31 0.840 -0.162 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.712 -2.091 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.653 -2.098 4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.900 -1.559 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.666 0.081 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.046 0.606 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.994 1.617 3.618 1.00 0.00 H new ATOM 517 N LEU A 32 -3.264 1.778 6.384 1.00 0.00 N ATOM 518 CA LEU A 32 -4.002 2.827 7.132 1.00 0.00 C ATOM 519 C LEU A 32 -4.733 2.214 8.332 1.00 0.00 C ATOM 520 O LEU A 32 -4.640 2.683 9.437 1.00 0.00 O ATOM 521 CB LEU A 32 -4.989 3.498 6.229 1.00 0.00 C ATOM 522 CG LEU A 32 -5.677 2.453 5.415 1.00 0.00 C ATOM 523 CD1 LEU A 32 -7.127 2.463 5.817 1.00 0.00 C ATOM 524 CD2 LEU A 32 -5.495 2.811 3.956 1.00 0.00 C ATOM 0 H LEU A 32 -3.462 1.735 5.384 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.286 3.564 7.495 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.716 4.061 6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.483 4.211 5.579 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.272 1.454 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.669 1.711 5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.211 2.239 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.553 3.447 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.988 2.064 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.934 3.790 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.432 2.837 3.718 1.00 0.00 H new ATOM 536 N GLN A 33 -5.477 1.175 8.142 1.00 0.00 N ATOM 537 CA GLN A 33 -6.192 0.594 9.314 1.00 0.00 C ATOM 538 C GLN A 33 -5.204 0.352 10.462 1.00 0.00 C ATOM 539 O GLN A 33 -5.563 0.442 11.619 1.00 0.00 O ATOM 540 CB GLN A 33 -6.862 -0.723 8.916 1.00 0.00 C ATOM 541 CG GLN A 33 -8.178 -0.435 8.189 1.00 0.00 C ATOM 542 CD GLN A 33 -9.268 -1.374 8.711 1.00 0.00 C ATOM 543 OE1 GLN A 33 -10.165 -0.952 9.413 1.00 0.00 O ATOM 544 NE2 GLN A 33 -9.228 -2.640 8.396 1.00 0.00 N ATOM 0 H GLN A 33 -5.625 0.704 7.249 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.957 1.295 9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.198 -1.299 8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.050 -1.329 9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.472 0.603 8.345 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.050 -0.572 7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.475 -2.995 7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.950 -3.274 8.739 1.00 0.00 H new ATOM 553 N THR A 34 -3.965 0.059 10.167 1.00 0.00 N ATOM 554 CA THR A 34 -2.985 -0.167 11.272 1.00 0.00 C ATOM 555 C THR A 34 -2.430 1.187 11.727 1.00 0.00 C ATOM 556 O THR A 34 -2.006 1.351 12.855 1.00 0.00 O ATOM 557 CB THR A 34 -1.849 -1.082 10.793 1.00 0.00 C ATOM 558 OG1 THR A 34 -1.183 -1.628 11.922 1.00 0.00 O ATOM 559 CG2 THR A 34 -0.844 -0.294 9.949 1.00 0.00 C ATOM 0 H THR A 34 -3.592 -0.033 9.222 1.00 0.00 H new ATOM 0 HA THR A 34 -3.481 -0.655 12.111 1.00 0.00 H new ATOM 0 HB THR A 34 -2.273 -1.880 10.183 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.400 -2.137 11.625 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.046 -0.959 9.618 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.350 0.126 9.080 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.420 0.512 10.547 1.00 0.00 H new ATOM 567 N GLU A 35 -2.442 2.161 10.858 1.00 0.00 N ATOM 568 CA GLU A 35 -1.935 3.509 11.231 1.00 0.00 C ATOM 569 C GLU A 35 -3.114 4.497 11.240 1.00 0.00 C ATOM 570 O GLU A 35 -3.447 5.049 12.269 1.00 0.00 O ATOM 571 CB GLU A 35 -0.851 3.951 10.235 1.00 0.00 C ATOM 572 CG GLU A 35 0.318 2.964 10.287 1.00 0.00 C ATOM 573 CD GLU A 35 0.995 2.909 8.917 1.00 0.00 C ATOM 574 OE1 GLU A 35 1.206 3.963 8.340 1.00 0.00 O ATOM 575 OE2 GLU A 35 1.289 1.813 8.468 1.00 0.00 O ATOM 0 H GLU A 35 -2.784 2.079 9.900 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.488 3.483 12.225 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.263 3.992 9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.505 4.955 10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.035 3.272 11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.040 1.974 10.569 1.00 0.00 H new ATOM 582 N PHE A 36 -3.763 4.720 10.120 1.00 0.00 N ATOM 583 CA PHE A 36 -4.920 5.663 10.113 1.00 0.00 C ATOM 584 C PHE A 36 -6.103 5.037 9.343 1.00 0.00 C ATOM 585 O PHE A 36 -6.367 5.438 8.232 1.00 0.00 O ATOM 586 CB PHE A 36 -4.535 6.960 9.386 1.00 0.00 C ATOM 587 CG PHE A 36 -3.040 7.052 9.218 1.00 0.00 C ATOM 588 CD1 PHE A 36 -2.394 6.177 8.335 1.00 0.00 C ATOM 589 CD2 PHE A 36 -2.304 8.008 9.921 1.00 0.00 C ATOM 590 CE1 PHE A 36 -1.012 6.259 8.155 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.918 8.094 9.740 1.00 0.00 C ATOM 592 CZ PHE A 36 -0.273 7.217 8.857 1.00 0.00 C ATOM 0 H PHE A 36 -3.542 4.293 9.221 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.198 5.869 11.147 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.019 6.993 8.410 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.896 7.820 9.950 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.966 5.438 7.793 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.803 8.680 10.603 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.514 5.584 7.475 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.347 8.835 10.280 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.796 7.281 8.718 1.00 0.00 H new ATOM 602 N PRO A 37 -6.790 4.089 9.940 1.00 0.00 N ATOM 603 CA PRO A 37 -7.955 3.445 9.296 1.00 0.00 C ATOM 604 C PRO A 37 -8.943 4.489 8.767 1.00 0.00 C ATOM 605 O PRO A 37 -9.778 4.199 7.933 1.00 0.00 O ATOM 606 CB PRO A 37 -8.606 2.615 10.411 1.00 0.00 C ATOM 607 CG PRO A 37 -7.647 2.638 11.628 1.00 0.00 C ATOM 608 CD PRO A 37 -6.479 3.579 11.283 1.00 0.00 C ATOM 0 HA PRO A 37 -7.660 2.840 8.439 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.577 3.029 10.680 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.778 1.592 10.077 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.168 2.986 12.520 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.279 1.635 11.845 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.399 4.391 12.006 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.527 3.048 11.294 1.00 0.00 H new ATOM 616 N SER A 38 -8.865 5.697 9.249 1.00 0.00 N ATOM 617 CA SER A 38 -9.810 6.748 8.775 1.00 0.00 C ATOM 618 C SER A 38 -9.340 7.322 7.434 1.00 0.00 C ATOM 619 O SER A 38 -9.824 8.341 6.983 1.00 0.00 O ATOM 620 CB SER A 38 -9.885 7.867 9.816 1.00 0.00 C ATOM 621 OG SER A 38 -8.800 8.765 9.621 1.00 0.00 O ATOM 0 H SER A 38 -8.190 6.003 9.949 1.00 0.00 H new ATOM 0 HA SER A 38 -10.796 6.305 8.639 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.832 8.399 9.727 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.848 7.447 10.821 1.00 0.00 H new ATOM 0 HG SER A 38 -8.847 9.484 10.286 1.00 0.00 H new ATOM 627 N LEU A 39 -8.404 6.680 6.791 1.00 0.00 N ATOM 628 CA LEU A 39 -7.913 7.193 5.483 1.00 0.00 C ATOM 629 C LEU A 39 -8.875 6.777 4.374 1.00 0.00 C ATOM 630 O LEU A 39 -8.766 7.216 3.246 1.00 0.00 O ATOM 631 CB LEU A 39 -6.520 6.622 5.205 1.00 0.00 C ATOM 632 CG LEU A 39 -5.456 7.697 5.456 1.00 0.00 C ATOM 633 CD1 LEU A 39 -5.441 8.690 4.291 1.00 0.00 C ATOM 634 CD2 LEU A 39 -5.771 8.444 6.756 1.00 0.00 C ATOM 0 H LEU A 39 -7.958 5.822 7.116 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.858 8.281 5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.336 5.760 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.460 6.272 4.174 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.480 7.220 5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.684 9.453 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.210 8.162 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.419 9.163 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.012 9.207 6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.750 8.917 6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.776 7.740 7.588 1.00 0.00 H new ATOM 646 N LEU A 40 -9.824 5.940 4.686 1.00 0.00 N ATOM 647 CA LEU A 40 -10.799 5.503 3.650 1.00 0.00 C ATOM 648 C LEU A 40 -12.211 5.487 4.238 1.00 0.00 C ATOM 649 O LEU A 40 -13.035 4.671 3.876 1.00 0.00 O ATOM 650 CB LEU A 40 -10.441 4.113 3.147 1.00 0.00 C ATOM 651 CG LEU A 40 -9.824 3.284 4.271 1.00 0.00 C ATOM 652 CD1 LEU A 40 -10.820 3.161 5.425 1.00 0.00 C ATOM 653 CD2 LEU A 40 -9.503 1.901 3.724 1.00 0.00 C ATOM 0 H LEU A 40 -9.966 5.540 5.613 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.763 6.204 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.333 3.616 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.740 4.189 2.316 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.917 3.764 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.377 2.569 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.066 4.154 5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.728 2.672 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.061 1.292 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.419 1.428 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.799 1.991 2.897 1.00 0.00 H new ATOM 665 N LYS A 41 -12.499 6.384 5.143 1.00 0.00 N ATOM 666 CA LYS A 41 -13.860 6.420 5.751 1.00 0.00 C ATOM 667 C LYS A 41 -14.816 7.178 4.828 1.00 0.00 C ATOM 668 O LYS A 41 -15.936 7.479 5.192 1.00 0.00 O ATOM 669 CB LYS A 41 -13.788 7.138 7.097 1.00 0.00 C ATOM 670 CG LYS A 41 -12.915 8.385 6.954 1.00 0.00 C ATOM 671 CD LYS A 41 -13.543 9.541 7.729 1.00 0.00 C ATOM 672 CE LYS A 41 -14.389 10.393 6.780 1.00 0.00 C ATOM 673 NZ LYS A 41 -15.014 11.514 7.539 1.00 0.00 N ATOM 0 H LYS A 41 -11.851 7.093 5.487 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.222 5.402 5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.788 7.416 7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.373 6.474 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.912 8.184 7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.814 8.652 5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.163 9.156 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.764 10.152 8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.767 10.787 5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.161 9.780 6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.589 12.092 6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.620 11.129 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.270 12.104 7.963 1.00 0.00 H new ATOM 687 N GLY A 42 -14.385 7.492 3.637 1.00 0.00 N ATOM 688 CA GLY A 42 -15.269 8.235 2.695 1.00 0.00 C ATOM 689 C GLY A 42 -14.461 9.330 1.994 1.00 0.00 C ATOM 690 O GLY A 42 -13.774 10.108 2.625 1.00 0.00 O ATOM 0 H GLY A 42 -13.458 7.266 3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.690 7.551 1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.106 8.676 3.236 1.00 0.00 H new ATOM 694 N MET A 43 -14.533 9.394 0.693 1.00 0.00 N ATOM 695 CA MET A 43 -13.765 10.436 -0.047 1.00 0.00 C ATOM 696 C MET A 43 -12.260 10.286 0.213 1.00 0.00 C ATOM 697 O MET A 43 -11.850 9.593 1.122 1.00 0.00 O ATOM 698 CB MET A 43 -14.224 11.827 0.396 1.00 0.00 C ATOM 699 CG MET A 43 -15.078 12.433 -0.706 1.00 0.00 C ATOM 700 SD MET A 43 -16.798 12.543 -0.153 1.00 0.00 S ATOM 701 CE MET A 43 -17.420 13.552 -1.519 1.00 0.00 C ATOM 0 H MET A 43 -15.090 8.770 0.110 1.00 0.00 H new ATOM 0 HA MET A 43 -13.950 10.310 -1.114 1.00 0.00 H new ATOM 0 HB2 MET A 43 -14.795 11.759 1.322 1.00 0.00 H new ATOM 0 HB3 MET A 43 -13.362 12.463 0.599 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.705 13.424 -0.965 1.00 0.00 H new ATOM 0 HG3 MET A 43 -15.014 11.822 -1.607 1.00 0.00 H new ATOM 0 HE1 MET A 43 -18.484 13.743 -1.375 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.882 14.499 -1.546 1.00 0.00 H new ATOM 0 HE3 MET A 43 -17.270 13.023 -2.460 1.00 0.00 H new ATOM 711 N SER A 44 -11.423 10.933 -0.574 1.00 0.00 N ATOM 712 CA SER A 44 -9.966 10.815 -0.353 1.00 0.00 C ATOM 713 C SER A 44 -9.606 9.343 -0.157 1.00 0.00 C ATOM 714 O SER A 44 -8.963 8.971 0.805 1.00 0.00 O ATOM 715 CB SER A 44 -9.568 11.615 0.886 1.00 0.00 C ATOM 716 OG SER A 44 -10.329 11.166 1.999 1.00 0.00 O ATOM 0 H SER A 44 -11.699 11.532 -1.353 1.00 0.00 H new ATOM 0 HA SER A 44 -9.431 11.209 -1.217 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.503 11.493 1.086 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.741 12.678 0.718 1.00 0.00 H new ATOM 0 HG SER A 44 -10.630 10.247 1.840 1.00 0.00 H new ATOM 722 N THR A 45 -10.031 8.501 -1.057 1.00 0.00 N ATOM 723 CA THR A 45 -9.733 7.047 -0.924 1.00 0.00 C ATOM 724 C THR A 45 -8.246 6.787 -1.176 1.00 0.00 C ATOM 725 O THR A 45 -7.727 7.075 -2.236 1.00 0.00 O ATOM 726 CB THR A 45 -10.561 6.265 -1.947 1.00 0.00 C ATOM 727 OG1 THR A 45 -10.690 7.033 -3.136 1.00 0.00 O ATOM 728 CG2 THR A 45 -11.948 5.978 -1.373 1.00 0.00 C ATOM 0 H THR A 45 -10.574 8.758 -1.882 1.00 0.00 H new ATOM 0 HA THR A 45 -9.986 6.724 0.086 1.00 0.00 H new ATOM 0 HB THR A 45 -10.062 5.323 -2.173 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.218 6.533 -3.793 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.536 5.421 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 45 -11.850 5.389 -0.461 1.00 0.00 H new ATOM 0 HG23 THR A 45 -12.449 6.919 -1.145 1.00 0.00 H new ATOM 736 N LEU A 46 -7.561 6.223 -0.217 1.00 0.00 N ATOM 737 CA LEU A 46 -6.114 5.920 -0.412 1.00 0.00 C ATOM 738 C LEU A 46 -5.987 4.581 -1.144 1.00 0.00 C ATOM 739 O LEU A 46 -4.915 4.179 -1.551 1.00 0.00 O ATOM 740 CB LEU A 46 -5.423 5.829 0.950 1.00 0.00 C ATOM 741 CG LEU A 46 -3.907 5.880 0.757 1.00 0.00 C ATOM 742 CD1 LEU A 46 -3.403 7.300 1.023 1.00 0.00 C ATOM 743 CD2 LEU A 46 -3.233 4.915 1.736 1.00 0.00 C ATOM 0 H LEU A 46 -7.941 5.959 0.692 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.643 6.709 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.747 6.650 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.705 4.904 1.452 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.665 5.592 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.322 7.334 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.880 7.991 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.647 7.587 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.152 4.952 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.478 5.204 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.588 3.901 1.550 1.00 0.00 H new ATOM 755 N ASP A 47 -7.084 3.895 -1.317 1.00 0.00 N ATOM 756 CA ASP A 47 -7.062 2.586 -2.024 1.00 0.00 C ATOM 757 C ASP A 47 -7.078 2.812 -3.528 1.00 0.00 C ATOM 758 O ASP A 47 -6.278 2.261 -4.258 1.00 0.00 O ATOM 759 CB ASP A 47 -8.288 1.790 -1.640 1.00 0.00 C ATOM 760 CG ASP A 47 -7.908 0.716 -0.620 1.00 0.00 C ATOM 761 OD1 ASP A 47 -7.675 1.067 0.524 1.00 0.00 O ATOM 762 OD2 ASP A 47 -7.854 -0.442 -1.002 1.00 0.00 O ATOM 0 H ASP A 47 -8.005 4.191 -0.994 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.159 2.044 -1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.046 2.451 -1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.724 1.326 -2.525 1.00 0.00 H new ATOM 767 N GLU A 48 -7.972 3.639 -4.000 1.00 0.00 N ATOM 768 CA GLU A 48 -8.009 3.920 -5.457 1.00 0.00 C ATOM 769 C GLU A 48 -6.811 4.799 -5.791 1.00 0.00 C ATOM 770 O GLU A 48 -6.502 5.054 -6.938 1.00 0.00 O ATOM 771 CB GLU A 48 -9.300 4.640 -5.829 1.00 0.00 C ATOM 772 CG GLU A 48 -9.986 3.858 -6.943 1.00 0.00 C ATOM 773 CD GLU A 48 -11.146 4.679 -7.510 1.00 0.00 C ATOM 774 OE1 GLU A 48 -10.879 5.714 -8.096 1.00 0.00 O ATOM 775 OE2 GLU A 48 -12.279 4.259 -7.345 1.00 0.00 O ATOM 0 H GLU A 48 -8.672 4.127 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.971 2.987 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.955 4.716 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.086 5.657 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.271 3.628 -7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.354 2.907 -6.559 1.00 0.00 H new ATOM 782 N LEU A 49 -6.110 5.223 -4.777 1.00 0.00 N ATOM 783 CA LEU A 49 -4.892 6.044 -4.983 1.00 0.00 C ATOM 784 C LEU A 49 -3.785 5.075 -5.353 1.00 0.00 C ATOM 785 O LEU A 49 -2.821 5.401 -6.017 1.00 0.00 O ATOM 786 CB LEU A 49 -4.545 6.732 -3.666 1.00 0.00 C ATOM 787 CG LEU A 49 -3.504 7.827 -3.909 1.00 0.00 C ATOM 788 CD1 LEU A 49 -4.205 9.119 -4.326 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.713 8.072 -2.622 1.00 0.00 C ATOM 0 H LEU A 49 -6.336 5.031 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.031 6.800 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.443 7.163 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.158 6.002 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.826 7.511 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.461 9.897 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.770 8.947 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.885 9.436 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.971 8.852 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.394 8.387 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.210 7.152 -2.323 1.00 0.00 H new ATOM 801 N PHE A 50 -3.961 3.869 -4.912 1.00 0.00 N ATOM 802 CA PHE A 50 -2.989 2.787 -5.186 1.00 0.00 C ATOM 803 C PHE A 50 -3.241 2.242 -6.593 1.00 0.00 C ATOM 804 O PHE A 50 -2.353 1.724 -7.242 1.00 0.00 O ATOM 805 CB PHE A 50 -3.224 1.691 -4.154 1.00 0.00 C ATOM 806 CG PHE A 50 -1.938 0.959 -3.873 1.00 0.00 C ATOM 807 CD1 PHE A 50 -0.869 1.639 -3.278 1.00 0.00 C ATOM 808 CD2 PHE A 50 -1.814 -0.396 -4.196 1.00 0.00 C ATOM 809 CE1 PHE A 50 0.324 0.965 -3.005 1.00 0.00 C ATOM 810 CE2 PHE A 50 -0.618 -1.072 -3.923 1.00 0.00 C ATOM 811 CZ PHE A 50 0.452 -0.389 -3.327 1.00 0.00 C ATOM 0 H PHE A 50 -4.765 3.580 -4.355 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.963 3.149 -5.126 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.613 2.125 -3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.977 0.992 -4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.966 2.686 -3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.639 -0.920 -4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.148 1.491 -2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.520 -2.118 -4.171 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.375 -0.909 -3.117 1.00 0.00 H new ATOM 821 N GLU A 51 -4.452 2.361 -7.067 1.00 0.00 N ATOM 822 CA GLU A 51 -4.781 1.859 -8.430 1.00 0.00 C ATOM 823 C GLU A 51 -4.261 2.848 -9.476 1.00 0.00 C ATOM 824 O GLU A 51 -3.989 2.488 -10.604 1.00 0.00 O ATOM 825 CB GLU A 51 -6.299 1.728 -8.569 1.00 0.00 C ATOM 826 CG GLU A 51 -6.683 0.250 -8.635 1.00 0.00 C ATOM 827 CD GLU A 51 -7.116 -0.099 -10.060 1.00 0.00 C ATOM 828 OE1 GLU A 51 -6.465 0.360 -10.984 1.00 0.00 O ATOM 829 OE2 GLU A 51 -8.092 -0.817 -10.202 1.00 0.00 O ATOM 0 H GLU A 51 -5.231 2.787 -6.565 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.313 0.886 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.794 2.205 -7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.638 2.242 -9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.838 -0.370 -8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.493 0.042 -7.936 1.00 0.00 H new ATOM 836 N GLU A 52 -4.119 4.093 -9.108 1.00 0.00 N ATOM 837 CA GLU A 52 -3.616 5.105 -10.080 1.00 0.00 C ATOM 838 C GLU A 52 -2.141 4.832 -10.382 1.00 0.00 C ATOM 839 O GLU A 52 -1.541 5.469 -11.225 1.00 0.00 O ATOM 840 CB GLU A 52 -3.758 6.505 -9.477 1.00 0.00 C ATOM 841 CG GLU A 52 -5.191 7.004 -9.671 1.00 0.00 C ATOM 842 CD GLU A 52 -5.457 8.172 -8.720 1.00 0.00 C ATOM 843 OE1 GLU A 52 -5.362 7.969 -7.521 1.00 0.00 O ATOM 844 OE2 GLU A 52 -5.749 9.252 -9.207 1.00 0.00 O ATOM 0 H GLU A 52 -4.330 4.452 -8.177 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.195 5.043 -11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.511 6.482 -8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.056 7.190 -9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.341 7.320 -10.703 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.898 6.197 -9.479 1.00 0.00 H new ATOM 851 N LEU A 53 -1.548 3.891 -9.698 1.00 0.00 N ATOM 852 CA LEU A 53 -0.114 3.581 -9.940 1.00 0.00 C ATOM 853 C LEU A 53 0.032 2.813 -11.257 1.00 0.00 C ATOM 854 O LEU A 53 -0.876 2.765 -12.063 1.00 0.00 O ATOM 855 CB LEU A 53 0.418 2.733 -8.785 1.00 0.00 C ATOM 856 CG LEU A 53 0.328 3.537 -7.485 1.00 0.00 C ATOM 857 CD1 LEU A 53 0.701 2.644 -6.300 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.293 4.721 -7.553 1.00 0.00 C ATOM 0 H LEU A 53 -1.998 3.323 -8.980 1.00 0.00 H new ATOM 0 HA LEU A 53 0.456 4.508 -10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.160 1.813 -8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.451 2.444 -8.977 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.691 3.902 -7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.636 3.219 -5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.014 1.799 -6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.719 2.277 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.231 5.295 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.311 4.354 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.026 5.360 -8.395 1.00 0.00 H new ATOM 870 N ASP A 54 1.171 2.217 -11.482 1.00 0.00 N ATOM 871 CA ASP A 54 1.380 1.457 -12.747 1.00 0.00 C ATOM 872 C ASP A 54 1.013 -0.013 -12.535 1.00 0.00 C ATOM 873 O ASP A 54 1.025 -0.804 -13.457 1.00 0.00 O ATOM 874 CB ASP A 54 2.849 1.557 -13.164 1.00 0.00 C ATOM 875 CG ASP A 54 2.999 1.103 -14.616 1.00 0.00 C ATOM 876 OD1 ASP A 54 3.125 -0.091 -14.833 1.00 0.00 O ATOM 877 OD2 ASP A 54 2.982 1.957 -15.487 1.00 0.00 O ATOM 0 H ASP A 54 1.967 2.224 -10.844 1.00 0.00 H new ATOM 0 HA ASP A 54 0.747 1.878 -13.528 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.200 2.583 -13.055 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.466 0.938 -12.513 1.00 0.00 H new ATOM 882 N LYS A 55 0.692 -0.388 -11.328 1.00 0.00 N ATOM 883 CA LYS A 55 0.332 -1.809 -11.059 1.00 0.00 C ATOM 884 C LYS A 55 -0.585 -2.324 -12.171 1.00 0.00 C ATOM 885 O LYS A 55 -1.504 -1.652 -12.593 1.00 0.00 O ATOM 886 CB LYS A 55 -0.385 -1.911 -9.712 1.00 0.00 C ATOM 887 CG LYS A 55 -1.489 -0.855 -9.635 1.00 0.00 C ATOM 888 CD LYS A 55 -2.787 -1.509 -9.161 1.00 0.00 C ATOM 889 CE LYS A 55 -3.586 -1.993 -10.399 1.00 0.00 C ATOM 890 NZ LYS A 55 -4.171 -0.810 -11.096 1.00 0.00 N ATOM 0 H LYS A 55 0.663 0.228 -10.516 1.00 0.00 H new ATOM 0 HA LYS A 55 1.239 -2.413 -11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.812 -2.907 -9.591 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.326 -1.768 -8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.199 -0.059 -8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.636 -0.396 -10.612 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.567 -2.349 -8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.379 -0.798 -8.585 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.933 -2.543 -11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.377 -2.678 -10.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.205 -0.913 -11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.934 0.055 -10.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.782 -0.747 -12.059 1.00 0.00 H new ATOM 904 N ASN A 56 -0.344 -3.517 -12.644 1.00 0.00 N ATOM 905 CA ASN A 56 -1.201 -4.080 -13.721 1.00 0.00 C ATOM 906 C ASN A 56 -1.150 -5.608 -13.666 1.00 0.00 C ATOM 907 O ASN A 56 -1.556 -6.285 -14.589 1.00 0.00 O ATOM 908 CB ASN A 56 -0.710 -3.605 -15.091 1.00 0.00 C ATOM 909 CG ASN A 56 -1.612 -4.188 -16.187 1.00 0.00 C ATOM 910 OD1 ASN A 56 -1.245 -4.202 -17.346 1.00 0.00 O ATOM 911 ND2 ASN A 56 -2.786 -4.670 -15.871 1.00 0.00 N ATOM 0 H ASN A 56 0.412 -4.125 -12.329 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.226 -3.739 -13.573 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.722 -2.516 -15.136 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.322 -3.919 -15.249 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.391 -5.056 -16.596 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.097 -4.660 -14.900 1.00 0.00 H new ATOM 918 N GLY A 57 -0.677 -6.164 -12.583 1.00 0.00 N ATOM 919 CA GLY A 57 -0.635 -7.647 -12.478 1.00 0.00 C ATOM 920 C GLY A 57 -2.071 -8.167 -12.413 1.00 0.00 C ATOM 921 O GLY A 57 -2.308 -9.355 -12.465 1.00 0.00 O ATOM 0 H GLY A 57 -0.321 -5.658 -11.773 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.116 -8.073 -13.336 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.082 -7.949 -11.589 1.00 0.00 H new ATOM 925 N ASP A 58 -3.015 -7.264 -12.269 1.00 0.00 N ATOM 926 CA ASP A 58 -4.447 -7.623 -12.168 1.00 0.00 C ATOM 927 C ASP A 58 -4.805 -7.681 -10.687 1.00 0.00 C ATOM 928 O ASP A 58 -5.929 -7.950 -10.309 1.00 0.00 O ATOM 929 CB ASP A 58 -4.731 -8.948 -12.888 1.00 0.00 C ATOM 930 CG ASP A 58 -4.698 -10.132 -11.910 1.00 0.00 C ATOM 931 OD1 ASP A 58 -5.492 -10.136 -10.984 1.00 0.00 O ATOM 932 OD2 ASP A 58 -3.882 -11.019 -12.111 1.00 0.00 O ATOM 0 H ASP A 58 -2.833 -6.262 -12.217 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.069 -6.875 -12.660 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.707 -8.900 -13.372 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.993 -9.103 -13.675 1.00 0.00 H new ATOM 937 N GLY A 59 -3.841 -7.415 -9.846 1.00 0.00 N ATOM 938 CA GLY A 59 -4.103 -7.436 -8.387 1.00 0.00 C ATOM 939 C GLY A 59 -2.793 -7.291 -7.583 1.00 0.00 C ATOM 940 O GLY A 59 -2.641 -7.902 -6.544 1.00 0.00 O ATOM 0 H GLY A 59 -2.884 -7.184 -10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.785 -6.627 -8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.597 -8.369 -8.117 1.00 0.00 H new ATOM 944 N GLU A 60 -1.844 -6.495 -8.032 1.00 0.00 N ATOM 945 CA GLU A 60 -0.582 -6.347 -7.258 1.00 0.00 C ATOM 946 C GLU A 60 0.161 -5.091 -7.716 1.00 0.00 C ATOM 947 O GLU A 60 0.012 -4.644 -8.835 1.00 0.00 O ATOM 948 CB GLU A 60 0.307 -7.573 -7.480 1.00 0.00 C ATOM 949 CG GLU A 60 1.716 -7.289 -6.955 1.00 0.00 C ATOM 950 CD GLU A 60 2.619 -8.492 -7.239 1.00 0.00 C ATOM 951 OE1 GLU A 60 3.162 -8.555 -8.329 1.00 0.00 O ATOM 952 OE2 GLU A 60 2.753 -9.328 -6.360 1.00 0.00 O ATOM 0 H GLU A 60 -1.896 -5.950 -8.893 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.822 -6.260 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.115 -8.438 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.346 -7.819 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.120 -6.397 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.683 -7.090 -5.884 1.00 0.00 H new ATOM 959 N VAL A 61 0.978 -4.537 -6.867 1.00 0.00 N ATOM 960 CA VAL A 61 1.753 -3.333 -7.250 1.00 0.00 C ATOM 961 C VAL A 61 3.238 -3.667 -7.074 1.00 0.00 C ATOM 962 O VAL A 61 3.643 -4.803 -7.229 1.00 0.00 O ATOM 963 CB VAL A 61 1.330 -2.154 -6.353 1.00 0.00 C ATOM 964 CG1 VAL A 61 2.045 -2.212 -4.994 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.656 -0.829 -7.052 1.00 0.00 C ATOM 0 H VAL A 61 1.141 -4.871 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 61 1.567 -3.046 -8.285 1.00 0.00 H new ATOM 0 HB VAL A 61 0.256 -2.223 -6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.729 -1.369 -4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.791 -3.144 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.123 -2.165 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.355 0.002 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.728 -0.772 -7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.117 -0.774 -7.998 1.00 0.00 H new ATOM 975 N SER A 62 4.049 -2.713 -6.738 1.00 0.00 N ATOM 976 CA SER A 62 5.492 -3.014 -6.540 1.00 0.00 C ATOM 977 C SER A 62 6.126 -1.886 -5.711 1.00 0.00 C ATOM 978 O SER A 62 5.523 -0.853 -5.494 1.00 0.00 O ATOM 979 CB SER A 62 6.177 -3.129 -7.906 1.00 0.00 C ATOM 980 OG SER A 62 5.794 -2.022 -8.720 1.00 0.00 O ATOM 0 H SER A 62 3.780 -1.740 -6.591 1.00 0.00 H new ATOM 0 HA SER A 62 5.613 -3.958 -6.008 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.260 -3.147 -7.782 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.896 -4.065 -8.389 1.00 0.00 H new ATOM 0 HG SER A 62 6.232 -2.092 -9.594 1.00 0.00 H new ATOM 986 N PHE A 63 7.331 -2.072 -5.245 1.00 0.00 N ATOM 987 CA PHE A 63 8.001 -1.012 -4.429 1.00 0.00 C ATOM 988 C PHE A 63 8.290 0.198 -5.320 1.00 0.00 C ATOM 989 O PHE A 63 8.566 1.280 -4.845 1.00 0.00 O ATOM 990 CB PHE A 63 9.323 -1.567 -3.890 1.00 0.00 C ATOM 991 CG PHE A 63 9.717 -0.937 -2.560 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.815 -0.878 -1.483 1.00 0.00 C ATOM 993 CD2 PHE A 63 11.017 -0.437 -2.395 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.212 -0.330 -0.259 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.410 0.119 -1.170 1.00 0.00 C ATOM 996 CZ PHE A 63 10.509 0.171 -0.101 1.00 0.00 C ATOM 0 H PHE A 63 7.885 -2.915 -5.394 1.00 0.00 H new ATOM 0 HA PHE A 63 7.357 -0.713 -3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.237 -2.647 -3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.113 -1.391 -4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.811 -1.258 -1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.718 -0.481 -3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.516 -0.293 0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.410 0.508 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.814 0.597 0.844 1.00 0.00 H new ATOM 1006 N GLU A 64 8.231 0.021 -6.613 1.00 0.00 N ATOM 1007 CA GLU A 64 8.502 1.156 -7.540 1.00 0.00 C ATOM 1008 C GLU A 64 7.327 2.133 -7.499 1.00 0.00 C ATOM 1009 O GLU A 64 7.493 3.331 -7.631 1.00 0.00 O ATOM 1010 CB GLU A 64 8.673 0.615 -8.960 1.00 0.00 C ATOM 1011 CG GLU A 64 9.065 1.754 -9.903 1.00 0.00 C ATOM 1012 CD GLU A 64 10.220 1.299 -10.800 1.00 0.00 C ATOM 1013 OE1 GLU A 64 10.641 0.163 -10.660 1.00 0.00 O ATOM 1014 OE2 GLU A 64 10.661 2.096 -11.611 1.00 0.00 O ATOM 0 H GLU A 64 8.006 -0.864 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 64 9.412 1.673 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.438 -0.161 -8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.745 0.154 -9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.210 2.046 -10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.361 2.631 -9.328 1.00 0.00 H new ATOM 1021 N GLU A 65 6.142 1.629 -7.308 1.00 0.00 N ATOM 1022 CA GLU A 65 4.947 2.517 -7.245 1.00 0.00 C ATOM 1023 C GLU A 65 4.593 2.749 -5.777 1.00 0.00 C ATOM 1024 O GLU A 65 3.839 3.639 -5.435 1.00 0.00 O ATOM 1025 CB GLU A 65 3.762 1.856 -7.958 1.00 0.00 C ATOM 1026 CG GLU A 65 4.268 0.785 -8.928 1.00 0.00 C ATOM 1027 CD GLU A 65 5.264 1.413 -9.906 1.00 0.00 C ATOM 1028 OE1 GLU A 65 5.204 2.619 -10.087 1.00 0.00 O ATOM 1029 OE2 GLU A 65 6.070 0.680 -10.454 1.00 0.00 O ATOM 0 H GLU A 65 5.947 0.635 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 65 5.167 3.465 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.090 1.408 -7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.187 2.607 -8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.745 -0.025 -8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.431 0.349 -9.474 1.00 0.00 H new ATOM 1036 N PHE A 66 5.153 1.955 -4.905 1.00 0.00 N ATOM 1037 CA PHE A 66 4.884 2.110 -3.449 1.00 0.00 C ATOM 1038 C PHE A 66 5.704 3.288 -2.905 1.00 0.00 C ATOM 1039 O PHE A 66 5.726 3.547 -1.719 1.00 0.00 O ATOM 1040 CB PHE A 66 5.308 0.818 -2.744 1.00 0.00 C ATOM 1041 CG PHE A 66 4.825 0.822 -1.315 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.500 0.474 -1.031 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.691 1.196 -0.280 1.00 0.00 C ATOM 1044 CE1 PHE A 66 3.035 0.504 0.285 1.00 0.00 C ATOM 1045 CE2 PHE A 66 5.225 1.220 1.038 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.898 0.879 1.321 1.00 0.00 C ATOM 0 H PHE A 66 5.793 1.197 -5.144 1.00 0.00 H new ATOM 0 HA PHE A 66 3.825 2.302 -3.275 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.899 -0.044 -3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.393 0.721 -2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.836 0.182 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.714 1.465 -0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.011 0.238 0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.891 1.503 1.840 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.539 0.905 2.339 1.00 0.00 H new ATOM 1056 N GLN A 67 6.378 3.999 -3.773 1.00 0.00 N ATOM 1057 CA GLN A 67 7.205 5.164 -3.332 1.00 0.00 C ATOM 1058 C GLN A 67 6.328 6.391 -3.194 1.00 0.00 C ATOM 1059 O GLN A 67 6.235 6.993 -2.151 1.00 0.00 O ATOM 1060 CB GLN A 67 8.306 5.456 -4.359 1.00 0.00 C ATOM 1061 CG GLN A 67 9.200 4.229 -4.524 1.00 0.00 C ATOM 1062 CD GLN A 67 10.030 4.021 -3.245 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.569 4.970 -2.711 1.00 0.00 O ATOM 1064 NE2 GLN A 67 10.166 2.825 -2.715 1.00 0.00 N ATOM 0 H GLN A 67 6.391 3.821 -4.777 1.00 0.00 H new ATOM 0 HA GLN A 67 7.660 4.921 -2.372 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.860 5.724 -5.317 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.901 6.310 -4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.591 3.347 -4.722 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.860 4.360 -5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.719 2.019 -3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.718 2.703 -1.866 1.00 0.00 H new ATOM 1073 N VAL A 68 5.702 6.770 -4.258 1.00 0.00 N ATOM 1074 CA VAL A 68 4.828 7.977 -4.220 1.00 0.00 C ATOM 1075 C VAL A 68 4.030 7.997 -2.911 1.00 0.00 C ATOM 1076 O VAL A 68 4.046 8.965 -2.178 1.00 0.00 O ATOM 1077 CB VAL A 68 3.867 7.945 -5.405 1.00 0.00 C ATOM 1078 CG1 VAL A 68 3.354 9.356 -5.671 1.00 0.00 C ATOM 1079 CG2 VAL A 68 4.604 7.428 -6.644 1.00 0.00 C ATOM 0 H VAL A 68 5.753 6.299 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 68 5.446 8.873 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 68 3.028 7.286 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.667 9.340 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.834 9.727 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.194 10.012 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.919 7.404 -7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.441 8.089 -6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.978 6.422 -6.452 1.00 0.00 H new ATOM 1089 N LEU A 69 3.340 6.931 -2.614 1.00 0.00 N ATOM 1090 CA LEU A 69 2.540 6.865 -1.354 1.00 0.00 C ATOM 1091 C LEU A 69 3.465 6.875 -0.149 1.00 0.00 C ATOM 1092 O LEU A 69 3.117 7.349 0.911 1.00 0.00 O ATOM 1093 CB LEU A 69 1.812 5.529 -1.312 1.00 0.00 C ATOM 1094 CG LEU A 69 0.371 5.665 -0.790 1.00 0.00 C ATOM 1095 CD1 LEU A 69 0.047 4.435 0.052 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.205 6.912 0.089 1.00 0.00 C ATOM 0 H LEU A 69 3.294 6.094 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 69 1.856 7.714 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.794 5.096 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.363 4.837 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.299 5.754 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.972 4.512 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.138 3.539 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.743 4.373 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.825 6.975 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.876 6.846 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.446 7.802 -0.493 1.00 0.00 H new ATOM 1108 N VAL A 70 4.619 6.298 -0.287 1.00 0.00 N ATOM 1109 CA VAL A 70 5.545 6.237 0.868 1.00 0.00 C ATOM 1110 C VAL A 70 5.886 7.671 1.304 1.00 0.00 C ATOM 1111 O VAL A 70 5.947 7.978 2.479 1.00 0.00 O ATOM 1112 CB VAL A 70 6.821 5.451 0.490 1.00 0.00 C ATOM 1113 CG1 VAL A 70 7.981 6.394 0.137 1.00 0.00 C ATOM 1114 CG2 VAL A 70 7.228 4.575 1.674 1.00 0.00 C ATOM 0 H VAL A 70 4.960 5.867 -1.146 1.00 0.00 H new ATOM 0 HA VAL A 70 5.071 5.715 1.699 1.00 0.00 H new ATOM 0 HB VAL A 70 6.603 4.841 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.861 5.806 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.698 7.018 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.208 7.028 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.128 4.015 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.426 5.205 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.421 3.880 1.906 1.00 0.00 H new ATOM 1124 N LYS A 71 6.089 8.551 0.356 1.00 0.00 N ATOM 1125 CA LYS A 71 6.408 9.969 0.688 1.00 0.00 C ATOM 1126 C LYS A 71 5.136 10.684 1.147 1.00 0.00 C ATOM 1127 O LYS A 71 5.149 11.853 1.475 1.00 0.00 O ATOM 1128 CB LYS A 71 6.960 10.663 -0.543 1.00 0.00 C ATOM 1129 CG LYS A 71 8.465 10.883 -0.383 1.00 0.00 C ATOM 1130 CD LYS A 71 8.960 11.815 -1.491 1.00 0.00 C ATOM 1131 CE LYS A 71 10.055 11.118 -2.299 1.00 0.00 C ATOM 1132 NZ LYS A 71 11.097 12.114 -2.680 1.00 0.00 N ATOM 0 H LYS A 71 6.046 8.344 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 71 7.149 9.998 1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.764 10.061 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.457 11.619 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.679 11.315 0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.991 9.929 -0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.132 12.091 -2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.346 12.738 -1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.501 10.315 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.629 10.661 -3.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.843 11.643 -3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.665 12.865 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.510 12.530 -1.821 1.00 0.00 H new ATOM 1146 N LYS A 72 4.044 9.974 1.194 1.00 0.00 N ATOM 1147 CA LYS A 72 2.772 10.571 1.652 1.00 0.00 C ATOM 1148 C LYS A 72 2.603 10.219 3.128 1.00 0.00 C ATOM 1149 O LYS A 72 1.560 10.421 3.717 1.00 0.00 O ATOM 1150 CB LYS A 72 1.607 9.983 0.854 1.00 0.00 C ATOM 1151 CG LYS A 72 1.146 10.997 -0.194 1.00 0.00 C ATOM 1152 CD LYS A 72 2.161 11.052 -1.335 1.00 0.00 C ATOM 1153 CE LYS A 72 1.614 11.920 -2.468 1.00 0.00 C ATOM 1154 NZ LYS A 72 2.191 13.290 -2.366 1.00 0.00 N ATOM 0 H LYS A 72 3.984 8.991 0.929 1.00 0.00 H new ATOM 0 HA LYS A 72 2.784 11.651 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.915 9.057 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.783 9.734 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.166 10.717 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.040 11.982 0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.106 11.459 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.366 10.046 -1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.865 11.479 -3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.526 11.967 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.819 13.881 -3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.930 13.709 -1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.227 13.237 -2.439 1.00 0.00 H new ATOM 1168 N ILE A 73 3.626 9.654 3.717 1.00 0.00 N ATOM 1169 CA ILE A 73 3.544 9.237 5.138 1.00 0.00 C ATOM 1170 C ILE A 73 4.594 9.905 5.964 1.00 0.00 C ATOM 1171 O ILE A 73 4.359 10.356 7.067 1.00 0.00 O ATOM 1172 CB ILE A 73 3.908 7.768 5.271 1.00 0.00 C ATOM 1173 CG1 ILE A 73 3.602 7.014 3.996 1.00 0.00 C ATOM 1174 CG2 ILE A 73 3.187 7.177 6.453 1.00 0.00 C ATOM 1175 CD1 ILE A 73 2.117 6.648 3.935 1.00 0.00 C ATOM 0 H ILE A 73 4.520 9.465 3.265 1.00 0.00 H new ATOM 0 HA ILE A 73 2.531 9.479 5.460 1.00 0.00 H new ATOM 0 HB ILE A 73 4.981 7.680 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.868 7.624 3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.208 6.109 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.448 6.123 6.549 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.479 7.707 7.360 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.111 7.273 6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.913 6.106 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.862 6.020 4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.517 7.557 3.962 1.00 0.00 H new ATOM 1187 N SER A 74 5.792 9.838 5.490 1.00 0.00 N ATOM 1188 CA SER A 74 6.886 10.321 6.307 1.00 0.00 C ATOM 1189 C SER A 74 6.549 11.698 6.888 1.00 0.00 C ATOM 1190 O SER A 74 6.319 11.844 8.073 1.00 0.00 O ATOM 1191 CB SER A 74 8.175 10.383 5.488 1.00 0.00 C ATOM 1192 OG SER A 74 9.262 10.716 6.342 1.00 0.00 O ATOM 0 H SER A 74 6.048 9.469 4.574 1.00 0.00 H new ATOM 0 HA SER A 74 7.037 9.626 7.133 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.358 9.423 5.005 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.080 11.125 4.696 1.00 0.00 H new ATOM 0 HG SER A 74 10.089 10.755 5.818 1.00 0.00 H new ATOM 1198 N GLN A 75 6.515 12.708 6.061 1.00 0.00 N ATOM 1199 CA GLN A 75 6.190 14.073 6.563 1.00 0.00 C ATOM 1200 C GLN A 75 4.675 14.282 6.530 1.00 0.00 C ATOM 1201 O GLN A 75 3.988 13.609 7.281 1.00 0.00 O ATOM 1202 CB GLN A 75 6.865 15.122 5.675 1.00 0.00 C ATOM 1203 CG GLN A 75 8.116 15.657 6.374 1.00 0.00 C ATOM 1204 CD GLN A 75 9.094 14.507 6.617 1.00 0.00 C ATOM 1205 OE1 GLN A 75 9.693 14.413 7.671 1.00 0.00 O ATOM 1206 NE2 GLN A 75 9.282 13.622 5.679 1.00 0.00 N ATOM 1207 OXT GLN A 75 4.229 15.110 5.755 1.00 0.00 O ATOM 0 H GLN A 75 6.698 12.646 5.060 1.00 0.00 H new ATOM 0 HA GLN A 75 6.551 14.176 7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.133 14.682 4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.173 15.939 5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.587 16.426 5.762 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.845 16.125 7.321 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.779 13.701 4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.932 12.850 5.829 1.00 0.00 H new TER 1216 GLN A 75