USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 452 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 38 SER OG : rot 58:sc= 0.443 USER MOD Set 1.2: A 45 THR OG1 : rot 68:sc= 0.89 USER MOD Set 2.1: A 37 TYR OH : rot 15:sc= 0.857 USER MOD Set 2.2: A 48 LYS NZ :NH3+ -173:sc= 2.69 (180deg=1.26) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.129 (180deg=-0.173) USER MOD Single : A 2 GLN : amide:sc= -0.686 K(o=-0.69,f=-2.6!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc=-0.00199 (180deg=-0.0988) USER MOD Single : A 18 HIS : no HD1:sc= -1.58 K(o=-1.5,f=-3.8!) USER MOD Single : A 33 HIS : no HD1:sc= -0.5 K(o=-0.5,f=0.06) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.521 78.631 -20.262 1.00 0.00 N ATOM 2 CA MET A 1 11.283 78.558 -21.529 1.00 0.00 C ATOM 3 C MET A 1 11.442 77.105 -21.960 1.00 0.00 C ATOM 4 O MET A 1 10.882 76.207 -21.327 1.00 0.00 O ATOM 5 CB MET A 1 12.659 79.220 -21.363 1.00 0.00 C ATOM 6 CG MET A 1 12.598 80.690 -20.968 1.00 0.00 C ATOM 7 SD MET A 1 14.238 81.432 -20.827 1.00 0.00 S ATOM 8 CE MET A 1 13.820 83.102 -20.318 1.00 0.00 C ATOM 0 H1 MET A 1 9.771 79.346 -20.349 1.00 0.00 H new ATOM 0 H2 MET A 1 10.095 77.704 -20.059 1.00 0.00 H new ATOM 0 H3 MET A 1 11.162 78.894 -19.486 1.00 0.00 H new ATOM 0 HA MET A 1 10.732 79.095 -22.302 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.224 78.675 -20.607 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.210 79.129 -22.299 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.016 81.239 -21.709 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.075 80.787 -20.016 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.733 83.683 -20.190 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.196 83.569 -21.080 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.276 83.069 -19.374 1.00 0.00 H new ATOM 20 N GLN A 2 12.202 76.887 -23.040 1.00 0.00 N ATOM 21 CA GLN A 2 12.453 75.550 -23.582 1.00 0.00 C ATOM 22 C GLN A 2 11.178 74.976 -24.212 1.00 0.00 C ATOM 23 O GLN A 2 10.220 74.647 -23.512 1.00 0.00 O ATOM 24 CB GLN A 2 12.999 74.612 -22.491 1.00 0.00 C ATOM 25 CG GLN A 2 13.318 73.202 -22.979 1.00 0.00 C ATOM 26 CD GLN A 2 13.872 72.302 -21.880 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.657 71.395 -22.146 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.463 72.539 -20.642 1.00 0.00 N ATOM 0 H GLN A 2 12.660 77.634 -23.562 1.00 0.00 H new ATOM 0 HA GLN A 2 13.210 75.633 -24.362 1.00 0.00 H new ATOM 0 HB2 GLN A 2 13.903 75.051 -22.069 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.269 74.548 -21.684 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.414 72.752 -23.388 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.041 73.260 -23.792 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.810 73.301 -20.458 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.801 71.960 -19.874 1.00 0.00 H new ATOM 37 N LYS A 3 11.176 74.872 -25.544 1.00 0.00 N ATOM 38 CA LYS A 3 9.997 74.434 -26.300 1.00 0.00 C ATOM 39 C LYS A 3 9.455 73.088 -25.808 1.00 0.00 C ATOM 40 O LYS A 3 8.252 72.833 -25.894 1.00 0.00 O ATOM 41 CB LYS A 3 10.294 74.355 -27.812 1.00 0.00 C ATOM 42 CG LYS A 3 11.272 73.250 -28.229 1.00 0.00 C ATOM 43 CD LYS A 3 12.717 73.578 -27.859 1.00 0.00 C ATOM 44 CE LYS A 3 13.686 72.511 -28.357 1.00 0.00 C ATOM 45 NZ LYS A 3 15.100 72.902 -28.133 1.00 0.00 N ATOM 0 H LYS A 3 11.985 75.087 -26.126 1.00 0.00 H new ATOM 0 HA LYS A 3 9.229 75.189 -26.128 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.354 74.205 -28.343 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.695 75.315 -28.138 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.982 72.314 -27.752 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.202 73.095 -29.306 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.991 74.544 -28.284 1.00 0.00 H new ATOM 0 HD3 LYS A 3 12.803 73.670 -26.776 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.484 71.570 -27.846 1.00 0.00 H new ATOM 0 HE3 LYS A 3 13.521 72.338 -29.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 15.728 72.151 -28.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 15.300 73.787 -28.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.264 73.042 -27.116 1.00 0.00 H new ATOM 59 N ARG A 4 10.332 72.222 -25.305 1.00 0.00 N ATOM 60 CA ARG A 4 9.897 70.926 -24.797 1.00 0.00 C ATOM 61 C ARG A 4 9.498 71.039 -23.325 1.00 0.00 C ATOM 62 O ARG A 4 10.341 71.193 -22.436 1.00 0.00 O ATOM 63 CB ARG A 4 10.971 69.840 -25.008 1.00 0.00 C ATOM 64 CG ARG A 4 12.271 70.058 -24.240 1.00 0.00 C ATOM 65 CD ARG A 4 13.247 68.902 -24.432 1.00 0.00 C ATOM 66 NE ARG A 4 14.452 69.065 -23.615 1.00 0.00 N ATOM 67 CZ ARG A 4 15.684 68.769 -24.026 1.00 0.00 C ATOM 68 NH1 ARG A 4 15.893 68.319 -25.257 1.00 0.00 N ATOM 69 NH2 ARG A 4 16.709 68.933 -23.202 1.00 0.00 N ATOM 0 H ARG A 4 11.336 72.392 -25.239 1.00 0.00 H new ATOM 0 HA ARG A 4 9.021 70.618 -25.367 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.553 68.876 -24.718 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.201 69.780 -26.072 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.737 70.986 -24.572 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.050 70.174 -23.179 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.756 67.965 -24.172 1.00 0.00 H new ATOM 0 HD3 ARG A 4 13.527 68.834 -25.483 1.00 0.00 H new ATOM 0 HE ARG A 4 14.340 69.429 -22.669 1.00 0.00 H new ATOM 0 HH11 ARG A 4 15.107 68.198 -25.896 1.00 0.00 H new ATOM 0 HH12 ARG A 4 16.839 68.095 -25.564 1.00 0.00 H new ATOM 0 HH21 ARG A 4 16.553 69.285 -22.257 1.00 0.00 H new ATOM 0 HH22 ARG A 4 17.654 68.708 -23.512 1.00 0.00 H new ATOM 83 N GLU A 5 8.194 70.995 -23.087 1.00 0.00 N ATOM 84 CA GLU A 5 7.652 71.057 -21.739 1.00 0.00 C ATOM 85 C GLU A 5 6.419 70.166 -21.643 1.00 0.00 C ATOM 86 O GLU A 5 5.293 70.598 -21.905 1.00 0.00 O ATOM 87 CB GLU A 5 7.316 72.506 -21.350 1.00 0.00 C ATOM 88 CG GLU A 5 6.841 72.663 -19.908 1.00 0.00 C ATOM 89 CD GLU A 5 7.828 72.098 -18.896 1.00 0.00 C ATOM 90 OE1 GLU A 5 8.818 72.789 -18.572 1.00 0.00 O ATOM 91 OE2 GLU A 5 7.618 70.963 -18.413 1.00 0.00 O ATOM 0 H GLU A 5 7.487 70.916 -23.818 1.00 0.00 H new ATOM 0 HA GLU A 5 8.404 70.695 -21.038 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.199 73.127 -21.501 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.543 72.882 -22.020 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.677 73.720 -19.698 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.880 72.162 -19.790 1.00 0.00 H new ATOM 98 N LEU A 6 6.658 68.907 -21.312 1.00 0.00 N ATOM 99 CA LEU A 6 5.596 67.914 -21.210 1.00 0.00 C ATOM 100 C LEU A 6 5.454 67.447 -19.766 1.00 0.00 C ATOM 101 O LEU A 6 6.137 66.517 -19.330 1.00 0.00 O ATOM 102 CB LEU A 6 5.892 66.718 -22.126 1.00 0.00 C ATOM 103 CG LEU A 6 6.039 67.049 -23.621 1.00 0.00 C ATOM 104 CD1 LEU A 6 6.428 65.805 -24.414 1.00 0.00 C ATOM 105 CD2 LEU A 6 4.748 67.657 -24.169 1.00 0.00 C ATOM 0 H LEU A 6 7.589 68.544 -21.107 1.00 0.00 H new ATOM 0 HA LEU A 6 4.659 68.371 -21.528 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.811 66.241 -21.785 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.091 65.987 -22.011 1.00 0.00 H new ATOM 0 HG LEU A 6 6.836 67.785 -23.730 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.527 66.062 -25.469 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.378 65.420 -24.044 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.657 65.043 -24.297 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.873 67.884 -25.228 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.930 66.947 -24.044 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.519 68.574 -23.626 1.00 0.00 H new ATOM 117 N TYR A 7 4.584 68.116 -19.022 1.00 0.00 N ATOM 118 CA TYR A 7 4.316 67.759 -17.635 1.00 0.00 C ATOM 119 C TYR A 7 2.958 67.070 -17.529 1.00 0.00 C ATOM 120 O TYR A 7 1.906 67.702 -17.666 1.00 0.00 O ATOM 121 CB TYR A 7 4.393 68.999 -16.722 1.00 0.00 C ATOM 122 CG TYR A 7 3.565 70.188 -17.186 1.00 0.00 C ATOM 123 CD1 TYR A 7 4.024 71.027 -18.197 1.00 0.00 C ATOM 124 CD2 TYR A 7 2.334 70.479 -16.605 1.00 0.00 C ATOM 125 CE1 TYR A 7 3.283 72.111 -18.618 1.00 0.00 C ATOM 126 CE2 TYR A 7 1.588 71.564 -17.022 1.00 0.00 C ATOM 127 CZ TYR A 7 2.069 72.379 -18.027 1.00 0.00 C ATOM 128 OH TYR A 7 1.327 73.466 -18.444 1.00 0.00 O ATOM 0 H TYR A 7 4.048 68.915 -19.359 1.00 0.00 H new ATOM 0 HA TYR A 7 5.082 67.061 -17.296 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.067 68.716 -15.721 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.435 69.309 -16.642 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.978 70.825 -18.661 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.956 69.846 -15.816 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.654 72.747 -19.408 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.633 71.774 -16.564 1.00 0.00 H new ATOM 0 HH TYR A 7 0.496 73.513 -17.926 1.00 0.00 H new ATOM 138 N GLU A 8 2.998 65.760 -17.329 1.00 0.00 N ATOM 139 CA GLU A 8 1.795 64.950 -17.186 1.00 0.00 C ATOM 140 C GLU A 8 2.102 63.705 -16.351 1.00 0.00 C ATOM 141 O GLU A 8 2.991 62.919 -16.692 1.00 0.00 O ATOM 142 CB GLU A 8 1.231 64.561 -18.567 1.00 0.00 C ATOM 143 CG GLU A 8 2.252 63.922 -19.505 1.00 0.00 C ATOM 144 CD GLU A 8 1.657 63.561 -20.858 1.00 0.00 C ATOM 145 OE1 GLU A 8 1.402 64.479 -21.666 1.00 0.00 O ATOM 146 OE2 GLU A 8 1.436 62.360 -21.124 1.00 0.00 O ATOM 0 H GLU A 8 3.866 65.228 -17.261 1.00 0.00 H new ATOM 0 HA GLU A 8 1.035 65.537 -16.670 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.401 63.868 -18.426 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.824 65.452 -19.045 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.086 64.609 -19.650 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.656 63.024 -19.039 1.00 0.00 H new ATOM 153 N ILE A 9 1.381 63.541 -15.250 1.00 0.00 N ATOM 154 CA ILE A 9 1.606 62.417 -14.344 1.00 0.00 C ATOM 155 C ILE A 9 0.815 61.188 -14.793 1.00 0.00 C ATOM 156 O ILE A 9 -0.401 61.255 -14.997 1.00 0.00 O ATOM 157 CB ILE A 9 1.239 62.778 -12.878 1.00 0.00 C ATOM 158 CG1 ILE A 9 -0.203 63.313 -12.789 1.00 0.00 C ATOM 159 CG2 ILE A 9 2.230 63.799 -12.323 1.00 0.00 C ATOM 160 CD1 ILE A 9 -0.647 63.668 -11.382 1.00 0.00 C ATOM 0 H ILE A 9 0.634 64.172 -14.960 1.00 0.00 H new ATOM 0 HA ILE A 9 2.670 62.185 -14.379 1.00 0.00 H new ATOM 0 HB ILE A 9 1.298 61.872 -12.274 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.290 64.198 -13.420 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.883 62.564 -13.195 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.963 64.044 -11.295 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.236 63.380 -12.346 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.200 64.703 -12.931 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.673 64.036 -11.406 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.595 62.782 -10.749 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.007 64.441 -10.978 1.00 0.00 H new ATOM 172 N ALA A 10 1.519 60.074 -14.955 1.00 0.00 N ATOM 173 CA ALA A 10 0.916 58.821 -15.395 1.00 0.00 C ATOM 174 C ALA A 10 1.523 57.649 -14.632 1.00 0.00 C ATOM 175 O ALA A 10 2.670 57.263 -14.870 1.00 0.00 O ATOM 176 CB ALA A 10 1.103 58.638 -16.897 1.00 0.00 C ATOM 0 H ALA A 10 2.523 60.013 -14.785 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.153 58.855 -15.186 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.647 57.698 -17.209 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.628 59.464 -17.426 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.167 58.620 -17.132 1.00 0.00 H new ATOM 182 N ASP A 11 0.751 57.092 -13.709 1.00 0.00 N ATOM 183 CA ASP A 11 1.208 55.987 -12.873 1.00 0.00 C ATOM 184 C ASP A 11 0.051 55.037 -12.585 1.00 0.00 C ATOM 185 O ASP A 11 -1.114 55.387 -12.797 1.00 0.00 O ATOM 186 CB ASP A 11 1.800 56.515 -11.554 1.00 0.00 C ATOM 187 CG ASP A 11 0.753 57.102 -10.609 1.00 0.00 C ATOM 188 OD1 ASP A 11 -0.090 57.910 -11.059 1.00 0.00 O ATOM 189 OD2 ASP A 11 0.786 56.775 -9.402 1.00 0.00 O ATOM 0 H ASP A 11 -0.205 57.391 -13.518 1.00 0.00 H new ATOM 0 HA ASP A 11 1.988 55.446 -13.409 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.320 55.702 -11.047 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.544 57.279 -11.779 1.00 0.00 H new ATOM 194 N GLY A 12 0.372 53.838 -12.108 1.00 0.00 N ATOM 195 CA GLY A 12 -0.649 52.847 -11.814 1.00 0.00 C ATOM 196 C GLY A 12 -1.202 52.995 -10.409 1.00 0.00 C ATOM 197 O GLY A 12 -0.509 52.704 -9.433 1.00 0.00 O ATOM 0 H GLY A 12 1.327 53.533 -11.919 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.462 52.940 -12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.229 51.848 -11.934 1.00 0.00 H new ATOM 201 N LYS A 13 -2.446 53.452 -10.306 1.00 0.00 N ATOM 202 CA LYS A 13 -3.094 53.660 -9.012 1.00 0.00 C ATOM 203 C LYS A 13 -4.595 53.394 -9.138 1.00 0.00 C ATOM 204 O LYS A 13 -5.240 53.900 -10.060 1.00 0.00 O ATOM 205 CB LYS A 13 -2.826 55.095 -8.529 1.00 0.00 C ATOM 206 CG LYS A 13 -3.287 55.383 -7.104 1.00 0.00 C ATOM 207 CD LYS A 13 -2.904 56.797 -6.676 1.00 0.00 C ATOM 208 CE LYS A 13 -3.314 57.086 -5.237 1.00 0.00 C ATOM 209 NZ LYS A 13 -2.895 58.446 -4.809 1.00 0.00 N ATOM 0 H LYS A 13 -3.030 53.687 -11.108 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.685 52.966 -8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.756 55.293 -8.598 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.323 55.791 -9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.368 55.260 -7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.841 54.660 -6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.827 56.929 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.379 57.519 -7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.396 56.991 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.869 56.343 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.191 58.607 -3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.860 58.528 -4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.340 59.156 -5.425 1.00 0.00 H new ATOM 223 N LEU A 14 -5.140 52.589 -8.221 1.00 0.00 N ATOM 224 CA LEU A 14 -6.541 52.152 -8.295 1.00 0.00 C ATOM 225 C LEU A 14 -6.794 51.416 -9.613 1.00 0.00 C ATOM 226 O LEU A 14 -7.869 51.525 -10.211 1.00 0.00 O ATOM 227 CB LEU A 14 -7.516 53.342 -8.138 1.00 0.00 C ATOM 228 CG LEU A 14 -7.774 53.811 -6.690 1.00 0.00 C ATOM 229 CD1 LEU A 14 -6.491 54.310 -6.027 1.00 0.00 C ATOM 230 CD2 LEU A 14 -8.854 54.894 -6.661 1.00 0.00 C ATOM 0 H LEU A 14 -4.632 52.225 -7.415 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.725 51.468 -7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.126 54.185 -8.709 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.471 53.067 -8.587 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.128 52.952 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.709 54.632 -5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.757 53.505 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.090 55.149 -6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.022 55.212 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.530 55.747 -7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.781 54.495 -7.074 1.00 0.00 H new ATOM 242 N VAL A 15 -5.796 50.652 -10.048 1.00 0.00 N ATOM 243 CA VAL A 15 -5.873 49.924 -11.311 1.00 0.00 C ATOM 244 C VAL A 15 -6.156 48.441 -11.073 1.00 0.00 C ATOM 245 O VAL A 15 -7.136 47.901 -11.593 1.00 0.00 O ATOM 246 CB VAL A 15 -4.567 50.071 -12.137 1.00 0.00 C ATOM 247 CG1 VAL A 15 -4.646 49.275 -13.441 1.00 0.00 C ATOM 248 CG2 VAL A 15 -4.271 51.543 -12.425 1.00 0.00 C ATOM 0 H VAL A 15 -4.920 50.521 -9.542 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.695 50.361 -11.878 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.749 49.664 -11.542 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.717 49.397 -13.999 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.797 48.220 -13.214 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.480 49.641 -14.040 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.351 51.623 -13.005 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.096 51.976 -12.991 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.155 52.081 -11.484 1.00 0.00 H new ATOM 258 N ARG A 16 -5.308 47.784 -10.284 1.00 0.00 N ATOM 259 CA ARG A 16 -5.434 46.344 -10.070 1.00 0.00 C ATOM 260 C ARG A 16 -4.779 45.925 -8.752 1.00 0.00 C ATOM 261 O ARG A 16 -5.466 45.522 -7.813 1.00 0.00 O ATOM 262 CB ARG A 16 -4.789 45.582 -11.249 1.00 0.00 C ATOM 263 CG ARG A 16 -5.383 44.199 -11.546 1.00 0.00 C ATOM 264 CD ARG A 16 -5.105 43.145 -10.469 1.00 0.00 C ATOM 265 NE ARG A 16 -5.932 43.319 -9.270 1.00 0.00 N ATOM 266 CZ ARG A 16 -7.244 43.077 -9.214 1.00 0.00 C ATOM 267 NH1 ARG A 16 -7.903 42.652 -10.287 1.00 0.00 N ATOM 268 NH2 ARG A 16 -7.892 43.255 -8.073 1.00 0.00 N ATOM 0 H ARG A 16 -4.533 48.221 -9.786 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.494 46.096 -10.015 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.875 46.195 -12.146 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.725 45.465 -11.044 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.461 44.299 -11.669 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.986 43.843 -12.496 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.282 42.153 -10.885 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.053 43.190 -10.188 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.473 43.648 -8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.407 42.507 -11.166 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.905 42.471 -10.231 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.389 43.575 -7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.894 43.072 -8.022 1.00 0.00 H new ATOM 282 N LYS A 17 -3.453 46.023 -8.701 1.00 0.00 N ATOM 283 CA LYS A 17 -2.671 45.479 -7.587 1.00 0.00 C ATOM 284 C LYS A 17 -2.888 46.270 -6.298 1.00 0.00 C ATOM 285 O LYS A 17 -2.062 47.106 -5.938 1.00 0.00 O ATOM 286 CB LYS A 17 -1.174 45.452 -7.940 1.00 0.00 C ATOM 287 CG LYS A 17 -0.846 44.649 -9.197 1.00 0.00 C ATOM 288 CD LYS A 17 0.661 44.571 -9.448 1.00 0.00 C ATOM 289 CE LYS A 17 1.274 45.946 -9.682 1.00 0.00 C ATOM 290 NZ LYS A 17 0.732 46.604 -10.901 1.00 0.00 N ATOM 0 H LYS A 17 -2.892 46.477 -9.422 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.019 44.460 -7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.824 46.476 -8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.621 45.034 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.250 43.641 -9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.334 45.107 -10.058 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.146 44.098 -8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.852 43.937 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.084 46.579 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.356 45.848 -9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.282 47.463 -11.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.798 45.950 -11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.264 46.860 -10.744 1.00 0.00 H new ATOM 304 N HIS A 18 -4.020 46.005 -5.642 1.00 0.00 N ATOM 305 CA HIS A 18 -4.376 46.581 -4.337 1.00 0.00 C ATOM 306 C HIS A 18 -5.864 46.375 -4.088 1.00 0.00 C ATOM 307 O HIS A 18 -6.699 46.917 -4.814 1.00 0.00 O ATOM 308 CB HIS A 18 -4.041 48.089 -4.235 1.00 0.00 C ATOM 309 CG HIS A 18 -2.774 48.379 -3.474 1.00 0.00 C ATOM 310 ND1 HIS A 18 -1.632 48.872 -4.063 1.00 0.00 N ATOM 311 CD2 HIS A 18 -2.480 48.234 -2.161 1.00 0.00 C ATOM 312 CE1 HIS A 18 -0.695 49.020 -3.147 1.00 0.00 C ATOM 313 NE2 HIS A 18 -1.181 48.638 -1.982 1.00 0.00 N ATOM 0 H HIS A 18 -4.731 45.372 -6.008 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.781 46.068 -3.582 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.953 48.501 -5.240 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.871 48.604 -3.751 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.146 47.867 -1.394 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.304 49.392 -3.322 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -0.676 48.642 -1.096 1.00 0.00 H new ATOM 322 N ARG A 19 -6.198 45.570 -3.086 1.00 0.00 N ATOM 323 CA ARG A 19 -7.592 45.384 -2.710 1.00 0.00 C ATOM 324 C ARG A 19 -8.084 46.611 -1.949 1.00 0.00 C ATOM 325 O ARG A 19 -7.339 47.196 -1.161 1.00 0.00 O ATOM 326 CB ARG A 19 -7.783 44.122 -1.853 1.00 0.00 C ATOM 327 CG ARG A 19 -7.319 42.828 -2.524 1.00 0.00 C ATOM 328 CD ARG A 19 -7.931 41.599 -1.853 1.00 0.00 C ATOM 329 NE ARG A 19 -9.382 41.548 -2.053 1.00 0.00 N ATOM 330 CZ ARG A 19 -10.252 41.008 -1.197 1.00 0.00 C ATOM 331 NH1 ARG A 19 -9.837 40.489 -0.049 1.00 0.00 N ATOM 332 NH2 ARG A 19 -11.543 41.002 -1.490 1.00 0.00 N ATOM 0 H ARG A 19 -5.530 45.041 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.176 45.257 -3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.239 44.247 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.838 44.027 -1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.596 42.844 -3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.232 42.764 -2.481 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.474 40.696 -2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.710 41.617 -0.786 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.755 41.956 -2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.845 40.500 0.187 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.510 40.079 0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.869 41.409 -2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.212 40.590 -0.839 1.00 0.00 H new ATOM 346 N PHE A 20 -9.323 47.008 -2.200 1.00 0.00 N ATOM 347 CA PHE A 20 -9.915 48.158 -1.525 1.00 0.00 C ATOM 348 C PHE A 20 -11.122 47.716 -0.707 1.00 0.00 C ATOM 349 O PHE A 20 -11.611 46.597 -0.866 1.00 0.00 O ATOM 350 CB PHE A 20 -10.316 49.234 -2.543 1.00 0.00 C ATOM 351 CG PHE A 20 -9.161 49.725 -3.383 1.00 0.00 C ATOM 352 CD1 PHE A 20 -8.187 50.550 -2.836 1.00 0.00 C ATOM 353 CD2 PHE A 20 -9.044 49.353 -4.717 1.00 0.00 C ATOM 354 CE1 PHE A 20 -7.123 50.992 -3.601 1.00 0.00 C ATOM 355 CE2 PHE A 20 -7.983 49.794 -5.483 1.00 0.00 C ATOM 356 CZ PHE A 20 -7.023 50.613 -4.924 1.00 0.00 C ATOM 0 H PHE A 20 -9.942 46.550 -2.869 1.00 0.00 H new ATOM 0 HA PHE A 20 -9.174 48.589 -0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -11.088 48.833 -3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.755 50.079 -2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.261 50.850 -1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.792 48.712 -5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.372 51.633 -3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.904 49.498 -6.519 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.193 50.958 -5.523 1.00 0.00 H new ATOM 366 N CYS A 21 -11.596 48.587 0.177 1.00 0.00 N ATOM 367 CA CYS A 21 -12.743 48.262 1.016 1.00 0.00 C ATOM 368 C CYS A 21 -14.024 48.507 0.228 1.00 0.00 C ATOM 369 O CYS A 21 -14.276 49.635 -0.178 1.00 0.00 O ATOM 370 CB CYS A 21 -12.725 49.111 2.285 1.00 0.00 C ATOM 371 SG CYS A 21 -13.952 48.620 3.537 1.00 0.00 S ATOM 0 H CYS A 21 -11.207 49.517 0.331 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.696 47.213 1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.731 49.058 2.728 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.898 50.152 2.013 1.00 0.00 H new ATOM 376 N PRO A 22 -14.856 47.465 0.024 1.00 0.00 N ATOM 377 CA PRO A 22 -16.000 47.522 -0.898 1.00 0.00 C ATOM 378 C PRO A 22 -16.782 48.834 -0.818 1.00 0.00 C ATOM 379 O PRO A 22 -16.906 49.553 -1.812 1.00 0.00 O ATOM 380 CB PRO A 22 -16.878 46.353 -0.448 1.00 0.00 C ATOM 381 CG PRO A 22 -15.936 45.369 0.160 1.00 0.00 C ATOM 382 CD PRO A 22 -14.760 46.154 0.697 1.00 0.00 C ATOM 0 HA PRO A 22 -15.672 47.464 -1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.628 46.678 0.273 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -17.415 45.916 -1.290 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.424 44.811 0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.607 44.641 -0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.814 46.259 1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.815 45.659 0.471 1.00 0.00 H new ATOM 390 N ARG A 23 -17.286 49.152 0.370 1.00 0.00 N ATOM 391 CA ARG A 23 -18.169 50.305 0.532 1.00 0.00 C ATOM 392 C ARG A 23 -17.396 51.622 0.672 1.00 0.00 C ATOM 393 O ARG A 23 -17.841 52.657 0.175 1.00 0.00 O ATOM 394 CB ARG A 23 -19.122 50.099 1.718 1.00 0.00 C ATOM 395 CG ARG A 23 -20.125 48.971 1.491 1.00 0.00 C ATOM 396 CD ARG A 23 -21.241 48.962 2.533 1.00 0.00 C ATOM 397 NE ARG A 23 -20.755 48.636 3.874 1.00 0.00 N ATOM 398 CZ ARG A 23 -21.546 48.261 4.882 1.00 0.00 C ATOM 399 NH1 ARG A 23 -22.864 48.194 4.715 1.00 0.00 N ATOM 400 NH2 ARG A 23 -21.018 47.959 6.060 1.00 0.00 N ATOM 0 H ARG A 23 -17.101 48.634 1.229 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.760 50.383 -0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.538 49.883 2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.663 51.026 1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.561 49.072 0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -19.603 48.015 1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.723 49.940 2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.001 48.238 2.240 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.752 48.699 4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -23.276 48.430 3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -23.462 47.907 5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.008 48.013 6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -21.621 47.672 6.831 1.00 0.00 H new ATOM 414 N CYS A 24 -16.238 51.591 1.332 1.00 0.00 N ATOM 415 CA CYS A 24 -15.441 52.815 1.526 1.00 0.00 C ATOM 416 C CYS A 24 -14.516 53.063 0.331 1.00 0.00 C ATOM 417 O CYS A 24 -13.841 54.090 0.274 1.00 0.00 O ATOM 418 CB CYS A 24 -14.575 52.731 2.790 1.00 0.00 C ATOM 419 SG CYS A 24 -15.394 52.081 4.276 1.00 0.00 S ATOM 0 H CYS A 24 -15.831 50.748 1.738 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.152 53.635 1.626 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -13.710 52.104 2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -14.197 53.729 3.015 1.00 0.00 H new ATOM 424 N GLY A 25 -14.497 52.114 -0.608 1.00 0.00 N ATOM 425 CA GLY A 25 -13.521 52.111 -1.696 1.00 0.00 C ATOM 426 C GLY A 25 -13.303 53.470 -2.338 1.00 0.00 C ATOM 427 O GLY A 25 -12.198 54.013 -2.265 1.00 0.00 O ATOM 0 H GLY A 25 -15.153 51.333 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.568 51.745 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.849 51.408 -2.462 1.00 0.00 H new ATOM 431 N PRO A 26 -14.334 54.049 -2.977 1.00 0.00 N ATOM 432 CA PRO A 26 -14.224 55.364 -3.618 1.00 0.00 C ATOM 433 C PRO A 26 -13.889 56.470 -2.613 1.00 0.00 C ATOM 434 O PRO A 26 -14.776 57.175 -2.121 1.00 0.00 O ATOM 435 CB PRO A 26 -15.611 55.583 -4.251 1.00 0.00 C ATOM 436 CG PRO A 26 -16.521 54.661 -3.511 1.00 0.00 C ATOM 437 CD PRO A 26 -15.682 53.470 -3.139 1.00 0.00 C ATOM 0 HA PRO A 26 -13.415 55.398 -4.347 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.932 56.620 -4.150 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.599 55.355 -5.317 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -16.930 55.144 -2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.367 54.365 -4.131 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.033 53.001 -2.220 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.702 52.705 -3.915 1.00 0.00 H new ATOM 445 N GLY A 27 -12.606 56.590 -2.287 1.00 0.00 N ATOM 446 CA GLY A 27 -12.143 57.635 -1.387 1.00 0.00 C ATOM 447 C GLY A 27 -11.326 57.089 -0.230 1.00 0.00 C ATOM 448 O GLY A 27 -10.489 57.801 0.332 1.00 0.00 O ATOM 0 H GLY A 27 -11.870 55.975 -2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.541 58.351 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.002 58.179 -0.995 1.00 0.00 H new ATOM 452 N VAL A 28 -11.553 55.823 0.123 1.00 0.00 N ATOM 453 CA VAL A 28 -10.842 55.193 1.235 1.00 0.00 C ATOM 454 C VAL A 28 -10.190 53.890 0.788 1.00 0.00 C ATOM 455 O VAL A 28 -10.855 52.853 0.677 1.00 0.00 O ATOM 456 CB VAL A 28 -11.779 54.887 2.434 1.00 0.00 C ATOM 457 CG1 VAL A 28 -10.979 54.404 3.646 1.00 0.00 C ATOM 458 CG2 VAL A 28 -12.625 56.105 2.798 1.00 0.00 C ATOM 0 H VAL A 28 -12.224 55.214 -0.346 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.083 55.906 1.557 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.454 54.087 2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.659 54.197 4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.437 53.495 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.270 55.176 3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -13.271 55.860 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.971 56.934 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.237 56.392 1.943 1.00 0.00 H new ATOM 468 N PHE A 29 -8.893 53.951 0.521 1.00 0.00 N ATOM 469 CA PHE A 29 -8.121 52.764 0.187 1.00 0.00 C ATOM 470 C PHE A 29 -8.080 51.816 1.386 1.00 0.00 C ATOM 471 O PHE A 29 -8.303 52.231 2.527 1.00 0.00 O ATOM 472 CB PHE A 29 -6.696 53.154 -0.238 1.00 0.00 C ATOM 473 CG PHE A 29 -5.929 53.918 0.816 1.00 0.00 C ATOM 474 CD1 PHE A 29 -6.043 55.298 0.912 1.00 0.00 C ATOM 475 CD2 PHE A 29 -5.097 53.257 1.712 1.00 0.00 C ATOM 476 CE1 PHE A 29 -5.345 56.001 1.873 1.00 0.00 C ATOM 477 CE2 PHE A 29 -4.398 53.956 2.674 1.00 0.00 C ATOM 478 CZ PHE A 29 -4.523 55.330 2.755 1.00 0.00 C ATOM 0 H PHE A 29 -8.351 54.815 0.530 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.601 52.254 -0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.143 52.250 -0.491 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.750 53.759 -1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.686 55.829 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.997 52.183 1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.442 57.075 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.754 53.430 3.363 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.977 55.878 3.509 1.00 0.00 H new ATOM 488 N LEU A 30 -7.800 50.547 1.126 1.00 0.00 N ATOM 489 CA LEU A 30 -7.720 49.545 2.181 1.00 0.00 C ATOM 490 C LEU A 30 -6.277 49.442 2.677 1.00 0.00 C ATOM 491 O LEU A 30 -5.372 49.110 1.909 1.00 0.00 O ATOM 492 CB LEU A 30 -8.223 48.197 1.648 1.00 0.00 C ATOM 493 CG LEU A 30 -8.469 47.103 2.698 1.00 0.00 C ATOM 494 CD1 LEU A 30 -9.473 47.571 3.746 1.00 0.00 C ATOM 495 CD2 LEU A 30 -8.959 45.823 2.025 1.00 0.00 C ATOM 0 H LEU A 30 -7.624 50.185 0.189 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.351 49.835 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.153 48.368 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.498 47.822 0.925 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.525 46.895 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.630 46.779 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.088 48.458 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.420 47.811 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.129 45.057 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.891 46.024 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.208 45.474 1.317 1.00 0.00 H new ATOM 507 N ALA A 31 -6.067 49.753 3.957 1.00 0.00 N ATOM 508 CA ALA A 31 -4.729 49.775 4.542 1.00 0.00 C ATOM 509 C ALA A 31 -4.059 48.407 4.427 1.00 0.00 C ATOM 510 O ALA A 31 -4.364 47.484 5.188 1.00 0.00 O ATOM 511 CB ALA A 31 -4.790 50.227 5.995 1.00 0.00 C ATOM 0 H ALA A 31 -6.812 49.994 4.610 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.125 50.491 3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.784 50.238 6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.215 51.229 6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.414 49.538 6.564 1.00 0.00 H new ATOM 517 N GLU A 32 -3.157 48.281 3.459 1.00 0.00 N ATOM 518 CA GLU A 32 -2.468 47.025 3.199 1.00 0.00 C ATOM 519 C GLU A 32 -1.243 46.871 4.098 1.00 0.00 C ATOM 520 O GLU A 32 -0.291 47.653 4.015 1.00 0.00 O ATOM 521 CB GLU A 32 -2.042 46.941 1.728 1.00 0.00 C ATOM 522 CG GLU A 32 -1.226 45.691 1.397 1.00 0.00 C ATOM 523 CD GLU A 32 -0.696 45.687 -0.026 1.00 0.00 C ATOM 524 OE1 GLU A 32 -0.007 46.658 -0.408 1.00 0.00 O ATOM 525 OE2 GLU A 32 -0.962 44.714 -0.764 1.00 0.00 O ATOM 0 H GLU A 32 -2.885 49.042 2.837 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.163 46.215 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.932 46.961 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.455 47.825 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.389 45.616 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.846 44.808 1.550 1.00 0.00 H new ATOM 532 N HIS A 33 -1.284 45.863 4.960 1.00 0.00 N ATOM 533 CA HIS A 33 -0.136 45.476 5.777 1.00 0.00 C ATOM 534 C HIS A 33 0.337 44.098 5.324 1.00 0.00 C ATOM 535 O HIS A 33 -0.450 43.324 4.776 1.00 0.00 O ATOM 536 CB HIS A 33 -0.505 45.438 7.268 1.00 0.00 C ATOM 537 CG HIS A 33 -0.995 46.746 7.821 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.364 47.419 8.846 1.00 0.00 N ATOM 539 CD2 HIS A 33 -2.071 47.499 7.491 1.00 0.00 C ATOM 540 CE1 HIS A 33 -1.030 48.521 9.122 1.00 0.00 C ATOM 541 NE2 HIS A 33 -2.071 48.596 8.317 1.00 0.00 N ATOM 0 H HIS A 33 -2.113 45.289 5.114 1.00 0.00 H new ATOM 0 HA HIS A 33 0.658 46.212 5.650 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.276 44.682 7.420 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.369 45.121 7.838 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.795 47.278 6.721 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.767 49.243 9.881 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.763 49.346 8.309 1.00 0.00 H new ATOM 550 N ALA A 34 1.608 43.787 5.562 1.00 0.00 N ATOM 551 CA ALA A 34 2.188 42.518 5.121 1.00 0.00 C ATOM 552 C ALA A 34 1.419 41.325 5.690 1.00 0.00 C ATOM 553 O ALA A 34 1.372 40.253 5.079 1.00 0.00 O ATOM 554 CB ALA A 34 3.658 42.442 5.515 1.00 0.00 C ATOM 0 H ALA A 34 2.258 44.396 6.058 1.00 0.00 H new ATOM 0 HA ALA A 34 2.112 42.475 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.076 41.492 5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.203 43.263 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.749 42.516 6.599 1.00 0.00 H new ATOM 560 N ASP A 35 0.815 41.523 6.859 1.00 0.00 N ATOM 561 CA ASP A 35 0.079 40.459 7.543 1.00 0.00 C ATOM 562 C ASP A 35 -1.382 40.425 7.106 1.00 0.00 C ATOM 563 O ASP A 35 -1.998 39.354 7.040 1.00 0.00 O ATOM 564 CB ASP A 35 0.127 40.656 9.066 1.00 0.00 C ATOM 565 CG ASP A 35 1.535 40.850 9.599 1.00 0.00 C ATOM 566 OD1 ASP A 35 2.236 39.843 9.834 1.00 0.00 O ATOM 567 OD2 ASP A 35 1.948 42.015 9.787 1.00 0.00 O ATOM 0 H ASP A 35 0.820 42.414 7.355 1.00 0.00 H new ATOM 0 HA ASP A 35 0.558 39.517 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.478 41.522 9.333 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.323 39.790 9.552 1.00 0.00 H new ATOM 572 N ARG A 36 -1.940 41.599 6.802 1.00 0.00 N ATOM 573 CA ARG A 36 -3.384 41.726 6.614 1.00 0.00 C ATOM 574 C ARG A 36 -3.766 43.109 6.088 1.00 0.00 C ATOM 575 O ARG A 36 -2.953 44.032 6.080 1.00 0.00 O ATOM 576 CB ARG A 36 -4.084 41.488 7.958 1.00 0.00 C ATOM 577 CG ARG A 36 -3.826 42.596 8.977 1.00 0.00 C ATOM 578 CD ARG A 36 -4.284 42.208 10.377 1.00 0.00 C ATOM 579 NE ARG A 36 -3.469 41.124 10.936 1.00 0.00 N ATOM 580 CZ ARG A 36 -2.967 41.128 12.172 1.00 0.00 C ATOM 581 NH1 ARG A 36 -3.191 42.151 12.984 1.00 0.00 N ATOM 582 NH2 ARG A 36 -2.242 40.106 12.599 1.00 0.00 N ATOM 0 H ARG A 36 -1.418 42.467 6.682 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.698 40.987 5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.157 41.401 7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.748 40.537 8.372 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.761 42.829 8.996 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.345 43.502 8.665 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.230 43.078 11.031 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.328 41.898 10.345 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.274 40.317 10.343 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.750 42.942 12.665 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.804 42.147 13.928 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.066 39.313 11.982 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.859 40.112 13.545 1.00 0.00 H new ATOM 596 N TYR A 37 -5.012 43.235 5.661 1.00 0.00 N ATOM 597 CA TYR A 37 -5.603 44.520 5.310 1.00 0.00 C ATOM 598 C TYR A 37 -6.423 45.035 6.489 1.00 0.00 C ATOM 599 O TYR A 37 -6.925 44.243 7.290 1.00 0.00 O ATOM 600 CB TYR A 37 -6.534 44.376 4.102 1.00 0.00 C ATOM 601 CG TYR A 37 -5.862 43.903 2.827 1.00 0.00 C ATOM 602 CD1 TYR A 37 -5.317 44.812 1.924 1.00 0.00 C ATOM 603 CD2 TYR A 37 -5.783 42.548 2.519 1.00 0.00 C ATOM 604 CE1 TYR A 37 -4.720 44.385 0.755 1.00 0.00 C ATOM 605 CE2 TYR A 37 -5.187 42.117 1.352 1.00 0.00 C ATOM 606 CZ TYR A 37 -4.656 43.039 0.476 1.00 0.00 C ATOM 607 OH TYR A 37 -4.056 42.610 -0.686 1.00 0.00 O ATOM 0 H TYR A 37 -5.647 42.445 5.547 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.799 45.214 5.065 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.329 43.676 4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.007 45.339 3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.362 45.869 2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.195 41.822 3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.305 45.103 0.063 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.137 41.062 1.126 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.530 43.341 -1.072 1.00 0.00 H new ATOM 617 N SER A 38 -6.569 46.348 6.590 1.00 0.00 N ATOM 618 CA SER A 38 -7.407 46.945 7.623 1.00 0.00 C ATOM 619 C SER A 38 -8.062 48.215 7.085 1.00 0.00 C ATOM 620 O SER A 38 -7.599 48.788 6.097 1.00 0.00 O ATOM 621 CB SER A 38 -6.578 47.249 8.878 1.00 0.00 C ATOM 622 OG SER A 38 -7.414 47.568 9.981 1.00 0.00 O ATOM 0 H SER A 38 -6.119 47.021 5.970 1.00 0.00 H new ATOM 0 HA SER A 38 -8.189 46.238 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.958 46.387 9.125 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.902 48.081 8.678 1.00 0.00 H new ATOM 0 HG SER A 38 -8.029 46.824 10.151 1.00 0.00 H new ATOM 628 N CYS A 39 -9.154 48.637 7.716 1.00 0.00 N ATOM 629 CA CYS A 39 -9.884 49.822 7.275 1.00 0.00 C ATOM 630 C CYS A 39 -10.237 50.739 8.437 1.00 0.00 C ATOM 631 O CYS A 39 -11.291 50.576 9.062 1.00 0.00 O ATOM 632 CB CYS A 39 -11.160 49.417 6.544 1.00 0.00 C ATOM 633 SG CYS A 39 -12.232 50.814 6.067 1.00 0.00 S ATOM 0 H CYS A 39 -9.553 48.176 8.534 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.228 50.370 6.598 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -10.889 48.860 5.647 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.729 48.739 7.180 1.00 0.00 H new ATOM 638 N GLY A 40 -9.354 51.694 8.725 1.00 0.00 N ATOM 639 CA GLY A 40 -9.663 52.743 9.681 1.00 0.00 C ATOM 640 C GLY A 40 -10.750 53.656 9.149 1.00 0.00 C ATOM 641 O GLY A 40 -10.481 54.775 8.717 1.00 0.00 O ATOM 0 H GLY A 40 -8.425 51.759 8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.984 52.299 10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.765 53.324 9.892 1.00 0.00 H new ATOM 645 N ARG A 41 -11.976 53.147 9.171 1.00 0.00 N ATOM 646 CA ARG A 41 -13.138 53.835 8.618 1.00 0.00 C ATOM 647 C ARG A 41 -14.401 53.045 8.960 1.00 0.00 C ATOM 648 O ARG A 41 -15.450 53.623 9.243 1.00 0.00 O ATOM 649 CB ARG A 41 -12.999 54.001 7.091 1.00 0.00 C ATOM 650 CG ARG A 41 -14.169 54.725 6.423 1.00 0.00 C ATOM 651 CD ARG A 41 -14.350 56.149 6.942 1.00 0.00 C ATOM 652 NE ARG A 41 -15.483 56.820 6.299 1.00 0.00 N ATOM 653 CZ ARG A 41 -16.023 57.966 6.726 1.00 0.00 C ATOM 654 NH1 ARG A 41 -15.520 58.598 7.777 1.00 0.00 N ATOM 655 NH2 ARG A 41 -17.066 58.484 6.093 1.00 0.00 N ATOM 0 H ARG A 41 -12.194 52.237 9.577 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.206 54.831 9.056 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.081 54.549 6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.893 53.015 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.007 54.753 5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.086 54.161 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.505 56.126 8.021 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.439 56.720 6.763 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.887 56.383 5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.714 58.210 8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.939 59.472 8.095 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.457 58.008 5.280 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.478 59.358 6.419 1.00 0.00 H new ATOM 669 N CYS A 42 -14.289 51.714 8.935 1.00 0.00 N ATOM 670 CA CYS A 42 -15.390 50.840 9.357 1.00 0.00 C ATOM 671 C CYS A 42 -14.845 49.567 10.016 1.00 0.00 C ATOM 672 O CYS A 42 -15.581 48.605 10.234 1.00 0.00 O ATOM 673 CB CYS A 42 -16.305 50.482 8.174 1.00 0.00 C ATOM 674 SG CYS A 42 -15.594 49.298 6.984 1.00 0.00 S ATOM 0 H CYS A 42 -13.452 51.219 8.629 1.00 0.00 H new ATOM 0 HA CYS A 42 -15.986 51.385 10.089 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -17.234 50.068 8.565 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -16.563 51.398 7.643 1.00 0.00 H new ATOM 679 N GLY A 43 -13.542 49.564 10.317 1.00 0.00 N ATOM 680 CA GLY A 43 -12.935 48.471 11.063 1.00 0.00 C ATOM 681 C GLY A 43 -12.721 47.214 10.243 1.00 0.00 C ATOM 682 O GLY A 43 -12.257 46.203 10.771 1.00 0.00 O ATOM 0 H GLY A 43 -12.894 50.307 10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.975 48.803 11.459 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.567 48.232 11.918 1.00 0.00 H new ATOM 686 N TYR A 44 -13.035 47.269 8.946 1.00 0.00 N ATOM 687 CA TYR A 44 -12.899 46.093 8.086 1.00 0.00 C ATOM 688 C TYR A 44 -11.442 45.643 8.036 1.00 0.00 C ATOM 689 O TYR A 44 -10.591 46.326 7.460 1.00 0.00 O ATOM 690 CB TYR A 44 -13.422 46.369 6.665 1.00 0.00 C ATOM 691 CG TYR A 44 -13.330 45.161 5.740 1.00 0.00 C ATOM 692 CD1 TYR A 44 -14.066 44.007 5.997 1.00 0.00 C ATOM 693 CD2 TYR A 44 -12.503 45.170 4.617 1.00 0.00 C ATOM 694 CE1 TYR A 44 -13.987 42.906 5.165 1.00 0.00 C ATOM 695 CE2 TYR A 44 -12.421 44.070 3.780 1.00 0.00 C ATOM 696 CZ TYR A 44 -13.163 42.940 4.062 1.00 0.00 C ATOM 697 OH TYR A 44 -13.084 41.840 3.234 1.00 0.00 O ATOM 0 H TYR A 44 -13.381 48.104 8.474 1.00 0.00 H new ATOM 0 HA TYR A 44 -13.505 45.294 8.513 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -14.461 46.693 6.725 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -12.856 47.193 6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -14.711 43.972 6.863 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -11.917 46.050 4.397 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.569 42.022 5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -11.780 44.096 2.911 1.00 0.00 H new ATOM 0 HH TYR A 44 -12.460 42.026 2.502 1.00 0.00 H new ATOM 707 N THR A 45 -11.165 44.509 8.666 1.00 0.00 N ATOM 708 CA THR A 45 -9.824 43.954 8.732 1.00 0.00 C ATOM 709 C THR A 45 -9.829 42.499 8.248 1.00 0.00 C ATOM 710 O THR A 45 -10.510 41.641 8.822 1.00 0.00 O ATOM 711 CB THR A 45 -9.277 44.033 10.177 1.00 0.00 C ATOM 712 OG1 THR A 45 -9.379 45.384 10.659 1.00 0.00 O ATOM 713 CG2 THR A 45 -7.824 43.569 10.249 1.00 0.00 C ATOM 0 H THR A 45 -11.868 43.948 9.147 1.00 0.00 H new ATOM 0 HA THR A 45 -9.174 44.539 8.082 1.00 0.00 H new ATOM 0 HB THR A 45 -9.875 43.370 10.803 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.323 45.622 10.769 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.471 43.637 11.278 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.755 42.536 9.909 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.208 44.203 9.611 1.00 0.00 H new ATOM 721 N GLU A 46 -9.075 42.235 7.184 1.00 0.00 N ATOM 722 CA GLU A 46 -8.993 40.906 6.585 1.00 0.00 C ATOM 723 C GLU A 46 -7.541 40.441 6.582 1.00 0.00 C ATOM 724 O GLU A 46 -6.645 41.235 6.329 1.00 0.00 O ATOM 725 CB GLU A 46 -9.520 40.939 5.144 1.00 0.00 C ATOM 726 CG GLU A 46 -9.411 39.602 4.419 1.00 0.00 C ATOM 727 CD GLU A 46 -9.610 39.730 2.919 1.00 0.00 C ATOM 728 OE1 GLU A 46 -8.617 39.982 2.206 1.00 0.00 O ATOM 729 OE2 GLU A 46 -10.760 39.581 2.448 1.00 0.00 O ATOM 0 H GLU A 46 -8.504 42.936 6.713 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.602 40.216 7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.564 41.251 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.968 41.693 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.432 39.166 4.615 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.153 38.913 4.822 1.00 0.00 H new ATOM 736 N PHE A 47 -7.308 39.167 6.864 1.00 0.00 N ATOM 737 CA PHE A 47 -5.953 38.617 6.839 1.00 0.00 C ATOM 738 C PHE A 47 -5.503 38.372 5.401 1.00 0.00 C ATOM 739 O PHE A 47 -6.304 37.969 4.557 1.00 0.00 O ATOM 740 CB PHE A 47 -5.876 37.320 7.658 1.00 0.00 C ATOM 741 CG PHE A 47 -5.971 37.546 9.147 1.00 0.00 C ATOM 742 CD1 PHE A 47 -4.889 38.053 9.850 1.00 0.00 C ATOM 743 CD2 PHE A 47 -7.139 37.261 9.841 1.00 0.00 C ATOM 744 CE1 PHE A 47 -4.968 38.271 11.212 1.00 0.00 C ATOM 745 CE2 PHE A 47 -7.224 37.478 11.204 1.00 0.00 C ATOM 746 CZ PHE A 47 -6.137 37.984 11.889 1.00 0.00 C ATOM 0 H PHE A 47 -8.034 38.494 7.112 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.280 39.345 7.292 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.681 36.654 7.347 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.938 36.813 7.434 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.972 38.281 9.326 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.992 36.865 9.310 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.117 38.665 11.747 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.139 37.252 11.732 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.201 38.155 12.953 1.00 0.00 H new ATOM 756 N LYS A 48 -4.224 38.640 5.129 1.00 0.00 N ATOM 757 CA LYS A 48 -3.644 38.421 3.801 1.00 0.00 C ATOM 758 C LYS A 48 -3.876 36.983 3.344 1.00 0.00 C ATOM 759 O LYS A 48 -3.202 36.060 3.811 1.00 0.00 O ATOM 760 CB LYS A 48 -2.133 38.731 3.810 1.00 0.00 C ATOM 761 CG LYS A 48 -1.778 40.179 3.487 1.00 0.00 C ATOM 762 CD LYS A 48 -1.970 40.487 2.003 1.00 0.00 C ATOM 763 CE LYS A 48 -1.494 41.893 1.642 1.00 0.00 C ATOM 764 NZ LYS A 48 -1.602 42.157 0.180 1.00 0.00 N ATOM 0 H LYS A 48 -3.566 39.011 5.815 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.137 39.096 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.731 38.483 4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.638 38.080 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.400 40.848 4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.743 40.372 3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.423 39.756 1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.024 40.384 1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.085 42.628 2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.458 42.018 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.161 43.073 -0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.116 41.403 -0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.605 42.180 -0.095 1.00 0.00 H new ATOM 778 N LYS A 49 -4.840 36.795 2.450 1.00 0.00 N ATOM 779 CA LYS A 49 -5.132 35.475 1.911 1.00 0.00 C ATOM 780 C LYS A 49 -3.989 35.011 1.013 1.00 0.00 C ATOM 781 O LYS A 49 -3.963 35.294 -0.189 1.00 0.00 O ATOM 782 CB LYS A 49 -6.467 35.473 1.151 1.00 0.00 C ATOM 783 CG LYS A 49 -7.692 35.826 2.007 1.00 0.00 C ATOM 784 CD LYS A 49 -8.022 34.759 3.064 1.00 0.00 C ATOM 785 CE LYS A 49 -7.168 34.885 4.328 1.00 0.00 C ATOM 786 NZ LYS A 49 -7.490 33.834 5.329 1.00 0.00 N ATOM 0 H LYS A 49 -5.432 37.541 2.084 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.226 34.775 2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.401 36.182 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.619 34.487 0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.516 36.779 2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.555 35.962 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.075 34.837 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.876 33.769 2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.113 34.819 4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.323 35.868 4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.888 33.958 6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.490 33.912 5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.318 32.896 4.915 1.00 0.00 H new ATOM 800 N ALA A 50 -3.031 34.320 1.624 1.00 0.00 N ATOM 801 CA ALA A 50 -1.843 33.834 0.930 1.00 0.00 C ATOM 802 C ALA A 50 -1.895 32.315 0.786 1.00 0.00 C ATOM 803 O ALA A 50 -0.859 31.644 0.721 1.00 0.00 O ATOM 804 CB ALA A 50 -0.589 34.259 1.684 1.00 0.00 C ATOM 0 H ALA A 50 -3.057 34.081 2.615 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.814 34.270 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.293 33.892 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.550 35.347 1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.611 33.843 2.691 1.00 0.00 H new ATOM 810 N LYS A 51 -3.115 31.782 0.735 1.00 0.00 N ATOM 811 CA LYS A 51 -3.337 30.352 0.525 1.00 0.00 C ATOM 812 C LYS A 51 -2.616 29.895 -0.743 1.00 0.00 C ATOM 813 O LYS A 51 -2.059 28.796 -0.797 1.00 0.00 O ATOM 814 CB LYS A 51 -4.848 30.066 0.407 1.00 0.00 C ATOM 815 CG LYS A 51 -5.224 28.584 0.261 1.00 0.00 C ATOM 816 CD LYS A 51 -5.387 27.868 1.608 1.00 0.00 C ATOM 817 CE LYS A 51 -4.076 27.744 2.378 1.00 0.00 C ATOM 818 NZ LYS A 51 -4.251 27.018 3.664 1.00 0.00 N ATOM 0 H LYS A 51 -3.972 32.325 0.837 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.939 29.801 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.347 30.466 1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.238 30.610 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.155 28.505 -0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.456 28.076 -0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.110 28.411 2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.798 26.873 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.343 27.221 1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.676 28.739 2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.336 26.956 4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.931 27.530 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.608 26.060 3.476 1.00 0.00 H new ATOM 832 N LYS A 52 -2.635 30.775 -1.745 1.00 0.00 N ATOM 833 CA LYS A 52 -1.979 30.555 -3.030 1.00 0.00 C ATOM 834 C LYS A 52 -2.455 29.255 -3.672 1.00 0.00 C ATOM 835 O LYS A 52 -1.861 28.189 -3.489 1.00 0.00 O ATOM 836 CB LYS A 52 -0.450 30.571 -2.881 1.00 0.00 C ATOM 837 CG LYS A 52 0.295 30.567 -4.214 1.00 0.00 C ATOM 838 CD LYS A 52 1.802 30.703 -4.025 1.00 0.00 C ATOM 839 CE LYS A 52 2.399 29.507 -3.292 1.00 0.00 C ATOM 840 NZ LYS A 52 3.863 29.662 -3.091 1.00 0.00 N ATOM 0 H LYS A 52 -3.114 31.673 -1.683 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.257 31.376 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.158 31.455 -2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.141 29.703 -2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.078 29.642 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.068 31.386 -4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.281 30.807 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.016 31.614 -3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.909 29.391 -2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.204 28.597 -3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.235 28.830 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.333 29.748 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.048 30.517 -2.528 1.00 0.00 H new ATOM 854 N SER A 53 -3.551 29.353 -4.403 1.00 0.00 N ATOM 855 CA SER A 53 -4.133 28.215 -5.092 1.00 0.00 C ATOM 856 C SER A 53 -4.673 28.666 -6.446 1.00 0.00 C ATOM 857 O SER A 53 -4.473 29.815 -6.846 1.00 0.00 O ATOM 858 CB SER A 53 -5.248 27.597 -4.234 1.00 0.00 C ATOM 859 OG SER A 53 -4.760 27.224 -2.953 1.00 0.00 O ATOM 0 H SER A 53 -4.063 30.225 -4.536 1.00 0.00 H new ATOM 0 HA SER A 53 -3.370 27.454 -5.256 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.063 28.312 -4.122 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.658 26.722 -4.739 1.00 0.00 H new ATOM 0 HG SER A 53 -5.489 26.835 -2.426 1.00 0.00 H new ATOM 865 N LYS A 54 -5.348 27.772 -7.154 1.00 0.00 N ATOM 866 CA LYS A 54 -5.918 28.106 -8.451 1.00 0.00 C ATOM 867 C LYS A 54 -7.085 29.072 -8.259 1.00 0.00 C ATOM 868 O LYS A 54 -8.075 28.727 -7.607 1.00 0.00 O ATOM 869 CB LYS A 54 -6.369 26.838 -9.195 1.00 0.00 C ATOM 870 CG LYS A 54 -5.216 25.941 -9.664 1.00 0.00 C ATOM 871 CD LYS A 54 -4.426 25.348 -8.498 1.00 0.00 C ATOM 872 CE LYS A 54 -3.246 24.511 -8.978 1.00 0.00 C ATOM 873 NZ LYS A 54 -2.518 23.878 -7.847 1.00 0.00 N ATOM 0 H LYS A 54 -5.514 26.812 -6.853 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.155 28.589 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.022 26.260 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.963 27.130 -10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.615 25.133 -10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.544 26.520 -10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.064 26.153 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.086 24.730 -7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.603 23.738 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.560 25.142 -9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.723 23.318 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.155 24.616 -7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.165 23.256 -7.322 1.00 0.00 H new ATOM 887 N SER A 55 -6.940 30.276 -8.825 1.00 0.00 N ATOM 888 CA SER A 55 -7.880 31.379 -8.624 1.00 0.00 C ATOM 889 C SER A 55 -7.709 31.967 -7.215 1.00 0.00 C ATOM 890 O SER A 55 -8.514 31.644 -6.317 1.00 0.00 O ATOM 891 CB SER A 55 -9.331 30.930 -8.870 1.00 0.00 C ATOM 892 OG SER A 55 -9.496 30.407 -10.183 1.00 0.00 O ATOM 893 OXT SER A 55 -6.741 32.733 -7.008 1.00 0.00 O ATOM 0 H SER A 55 -6.161 30.511 -9.439 1.00 0.00 H new ATOM 0 HA SER A 55 -7.658 32.158 -9.353 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.608 30.172 -8.137 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.005 31.775 -8.726 1.00 0.00 H new ATOM 0 HG SER A 55 -10.427 30.128 -10.310 1.00 0.00 H new TER 899 SER A 55 HETATM 900 ZN ZN A 56 -14.326 50.209 5.222 1.00 0.00 ZN