USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= 0.233 (180deg=0.00559) USER MOD Single : A 2 THR OG1 : rot 29:sc= 0.244 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 164:sc= -0.188 (180deg=-0.756) USER MOD Single : A 13 THR OG1 : rot -93:sc= 0.113 USER MOD Single : A 19 ASN : amide:sc= 0.291 X(o=0.29,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.18 K(o=1.2,f=-0.19) USER MOD Single : A 37 ASN : amide:sc= -0.757 K(o=-0.76,f=-16!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 45:sc= 0.728 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.355 K(o=-0.36,f=-3.2!) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00103) USER MOD Single : A 53 SER OG : rot 20:sc= 0.969 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00165 USER MOD Single : A 58 LYS NZ :NH3+ -163:sc= 0.433 (180deg=0.41) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 100:sc= -0.318 USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00515) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.188 15.482 6.588 1.00 10.00 N ATOM 2 CA MET A 1 6.560 14.965 7.819 1.00 10.00 C ATOM 3 C MET A 1 5.469 14.004 7.375 1.00 10.00 C ATOM 4 O MET A 1 5.653 13.415 6.322 1.00 10.00 O ATOM 5 CB MET A 1 6.121 16.074 8.792 1.00 10.00 C ATOM 6 CG MET A 1 4.983 16.987 8.305 1.00 10.00 C ATOM 7 SD MET A 1 5.318 18.753 8.539 1.00 10.00 S ATOM 8 CE MET A 1 3.693 19.455 8.181 1.00 10.00 C ATOM 0 H1 MET A 1 8.217 15.546 6.724 1.00 10.00 H new ATOM 0 H2 MET A 1 6.982 14.839 5.797 1.00 10.00 H new ATOM 0 H3 MET A 1 6.808 16.426 6.375 1.00 10.00 H new ATOM 0 HA MET A 1 7.277 14.420 8.433 1.00 10.00 H new ATOM 0 HB2 MET A 1 5.811 15.608 9.727 1.00 10.00 H new ATOM 0 HB3 MET A 1 6.987 16.696 9.018 1.00 10.00 H new ATOM 0 HG2 MET A 1 4.804 16.797 7.247 1.00 10.00 H new ATOM 0 HG3 MET A 1 4.067 16.726 8.835 1.00 10.00 H new ATOM 0 HE1 MET A 1 3.735 20.539 8.283 1.00 10.00 H new ATOM 0 HE2 MET A 1 3.401 19.197 7.163 1.00 10.00 H new ATOM 0 HE3 MET A 1 2.961 19.053 8.881 1.00 10.00 H new ATOM 20 N THR A 2 4.368 13.833 8.104 1.00 10.00 N ATOM 21 CA THR A 2 3.282 12.990 7.626 1.00 10.00 C ATOM 22 C THR A 2 2.722 13.593 6.333 1.00 10.00 C ATOM 23 O THR A 2 2.419 14.787 6.320 1.00 10.00 O ATOM 24 CB THR A 2 2.229 12.913 8.732 1.00 10.00 C ATOM 25 OG1 THR A 2 1.870 14.236 9.085 1.00 10.00 O ATOM 26 CG2 THR A 2 2.746 12.197 9.982 1.00 10.00 C ATOM 0 H THR A 2 4.208 14.262 9.015 1.00 10.00 H new ATOM 0 HA THR A 2 3.620 11.979 7.398 1.00 10.00 H new ATOM 0 HB THR A 2 1.379 12.344 8.355 1.00 10.00 H new ATOM 0 HG1 THR A 2 1.986 14.824 8.310 1.00 10.00 H new ATOM 0 HG21 THR A 2 1.960 12.169 10.737 1.00 10.00 H new ATOM 0 HG22 THR A 2 3.037 11.179 9.724 1.00 10.00 H new ATOM 0 HG23 THR A 2 3.610 12.732 10.377 1.00 10.00 H new ATOM 34 N GLU A 3 2.601 12.800 5.265 1.00 10.00 N ATOM 35 CA GLU A 3 2.282 13.224 3.924 1.00 10.00 C ATOM 36 C GLU A 3 1.520 12.071 3.274 1.00 10.00 C ATOM 37 O GLU A 3 1.427 10.978 3.838 1.00 10.00 O ATOM 38 CB GLU A 3 3.575 13.594 3.174 1.00 10.00 C ATOM 39 CG GLU A 3 4.545 12.413 3.014 1.00 10.00 C ATOM 40 CD GLU A 3 5.967 12.870 2.693 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.507 13.678 3.487 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.501 12.379 1.678 1.00 10.00 O ATOM 0 H GLU A 3 2.733 11.791 5.330 1.00 10.00 H new ATOM 0 HA GLU A 3 1.660 14.119 3.905 1.00 10.00 H new ATOM 0 HB2 GLU A 3 3.317 13.979 2.188 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.079 14.399 3.709 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.553 11.825 3.932 1.00 10.00 H new ATOM 0 HG3 GLU A 3 4.188 11.758 2.219 1.00 10.00 H new ATOM 49 N LYS A 4 0.938 12.360 2.116 1.00 10.00 N ATOM 50 CA LYS A 4 0.050 11.477 1.374 1.00 10.00 C ATOM 51 C LYS A 4 0.706 11.132 0.041 1.00 10.00 C ATOM 52 O LYS A 4 0.937 12.009 -0.790 1.00 10.00 O ATOM 53 CB LYS A 4 -1.311 12.143 1.146 1.00 10.00 C ATOM 54 CG LYS A 4 -1.935 12.660 2.451 1.00 10.00 C ATOM 55 CD LYS A 4 -2.101 14.182 2.465 1.00 10.00 C ATOM 56 CE LYS A 4 -2.504 14.609 3.885 1.00 10.00 C ATOM 57 NZ LYS A 4 -2.786 16.054 3.975 1.00 10.00 N ATOM 0 H LYS A 4 1.079 13.256 1.649 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.120 10.566 1.948 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -1.194 12.972 0.448 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.989 11.428 0.680 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.909 12.191 2.594 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.310 12.359 3.292 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -1.171 14.668 2.172 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -2.861 14.488 1.746 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.386 14.049 4.194 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -1.704 14.353 4.580 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -3.053 16.295 4.951 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -1.937 16.591 3.706 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -3.567 16.296 3.332 1.00 10.00 H new ATOM 71 N ALA A 5 0.986 9.851 -0.156 1.00 10.00 N ATOM 72 CA ALA A 5 1.545 9.287 -1.368 1.00 10.00 C ATOM 73 C ALA A 5 0.433 8.524 -2.074 1.00 10.00 C ATOM 74 O ALA A 5 -0.611 8.278 -1.467 1.00 10.00 O ATOM 75 CB ALA A 5 2.682 8.346 -0.985 1.00 10.00 C ATOM 0 H ALA A 5 0.820 9.146 0.562 1.00 10.00 H new ATOM 0 HA ALA A 5 1.938 10.060 -2.029 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.115 7.912 -1.887 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.449 8.902 -0.446 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.296 7.550 -0.348 1.00 10.00 H new ATOM 81 N GLU A 6 0.647 8.132 -3.331 1.00 10.00 N ATOM 82 CA GLU A 6 -0.342 7.385 -4.072 1.00 10.00 C ATOM 83 C GLU A 6 0.422 6.374 -4.902 1.00 10.00 C ATOM 84 O GLU A 6 1.449 6.727 -5.488 1.00 10.00 O ATOM 85 CB GLU A 6 -1.138 8.329 -4.963 1.00 10.00 C ATOM 86 CG GLU A 6 -2.359 7.612 -5.525 1.00 10.00 C ATOM 87 CD GLU A 6 -2.987 8.345 -6.700 1.00 10.00 C ATOM 88 OE1 GLU A 6 -2.256 8.520 -7.700 1.00 10.00 O ATOM 89 OE2 GLU A 6 -4.199 8.625 -6.609 1.00 10.00 O ATOM 0 H GLU A 6 1.504 8.326 -3.849 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.051 6.885 -3.412 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.451 9.203 -4.392 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.510 8.688 -5.778 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.072 6.609 -5.841 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.102 7.497 -4.736 1.00 10.00 H new ATOM 96 N PHE A 7 -0.064 5.135 -4.922 1.00 10.00 N ATOM 97 CA PHE A 7 0.544 4.013 -5.603 1.00 10.00 C ATOM 98 C PHE A 7 -0.519 3.231 -6.372 1.00 10.00 C ATOM 99 O PHE A 7 -1.664 3.172 -5.932 1.00 10.00 O ATOM 100 CB PHE A 7 1.174 3.088 -4.569 1.00 10.00 C ATOM 101 CG PHE A 7 2.016 3.733 -3.486 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.939 4.738 -3.810 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.957 3.259 -2.166 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.681 5.377 -2.811 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.773 3.835 -1.182 1.00 10.00 C ATOM 106 CZ PHE A 7 3.592 4.934 -1.483 1.00 10.00 C ATOM 0 H PHE A 7 -0.928 4.883 -4.442 1.00 10.00 H new ATOM 0 HA PHE A 7 1.299 4.382 -6.297 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.374 2.526 -4.086 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.797 2.366 -5.097 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.079 5.022 -4.843 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.285 2.453 -1.909 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.321 6.210 -3.062 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.771 3.428 -0.181 1.00 10.00 H new ATOM 0 HZ PHE A 7 4.147 5.433 -0.702 1.00 10.00 H new ATOM 116 N ASP A 8 -0.099 2.595 -7.465 1.00 10.00 N ATOM 117 CA ASP A 8 -0.853 1.723 -8.356 1.00 10.00 C ATOM 118 C ASP A 8 -0.678 0.311 -7.810 1.00 10.00 C ATOM 119 O ASP A 8 0.430 0.027 -7.353 1.00 10.00 O ATOM 120 CB ASP A 8 -0.212 1.837 -9.755 1.00 10.00 C ATOM 121 CG ASP A 8 -0.244 0.543 -10.549 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.372 0.103 -10.845 1.00 10.00 O ATOM 123 OD2 ASP A 8 0.859 0.055 -10.873 1.00 10.00 O ATOM 0 H ASP A 8 0.868 2.688 -7.775 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.910 1.980 -8.420 1.00 10.00 H new ATOM 0 HB2 ASP A 8 -0.730 2.612 -10.320 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.823 2.160 -9.645 1.00 10.00 H new ATOM 128 N ILE A 9 -1.707 -0.549 -7.823 1.00 10.00 N ATOM 129 CA ILE A 9 -1.547 -1.949 -7.440 1.00 10.00 C ATOM 130 C ILE A 9 -2.086 -2.870 -8.532 1.00 10.00 C ATOM 131 O ILE A 9 -3.210 -2.676 -8.983 1.00 10.00 O ATOM 132 CB ILE A 9 -2.272 -2.255 -6.122 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.134 -1.183 -5.037 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.718 -3.536 -5.515 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.193 -0.110 -5.224 1.00 10.00 C ATOM 0 H ILE A 9 -2.656 -0.294 -8.095 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.480 -2.127 -7.304 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.323 -2.320 -6.404 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -2.236 -1.637 -4.051 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.141 -0.736 -5.081 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.236 -3.749 -4.580 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.869 -4.362 -6.209 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.652 -3.415 -5.320 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -3.085 0.647 -4.447 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.071 0.355 -6.202 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -4.183 -0.561 -5.157 1.00 10.00 H new ATOM 147 N GLU A 10 -1.341 -3.923 -8.885 1.00 10.00 N ATOM 148 CA GLU A 10 -1.800 -4.945 -9.817 1.00 10.00 C ATOM 149 C GLU A 10 -1.758 -6.325 -9.169 1.00 10.00 C ATOM 150 O GLU A 10 -0.736 -6.722 -8.609 1.00 10.00 O ATOM 151 CB GLU A 10 -0.935 -4.955 -11.076 1.00 10.00 C ATOM 152 CG GLU A 10 -1.143 -3.707 -11.940 1.00 10.00 C ATOM 153 CD GLU A 10 -0.530 -3.909 -13.320 1.00 10.00 C ATOM 154 OE1 GLU A 10 0.628 -4.382 -13.358 1.00 10.00 O ATOM 155 OE2 GLU A 10 -1.242 -3.642 -14.311 1.00 10.00 O ATOM 0 H GLU A 10 -0.400 -4.086 -8.528 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.828 -4.707 -10.089 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.115 -5.025 -10.791 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -1.166 -5.843 -11.664 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -2.208 -3.496 -12.035 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -0.689 -2.842 -11.456 1.00 10.00 H new ATOM 162 N GLY A 11 -2.855 -7.073 -9.304 1.00 10.00 N ATOM 163 CA GLY A 11 -2.939 -8.483 -8.960 1.00 10.00 C ATOM 164 C GLY A 11 -4.250 -8.801 -8.248 1.00 10.00 C ATOM 165 O GLY A 11 -4.904 -9.766 -8.621 1.00 10.00 O ATOM 0 H GLY A 11 -3.732 -6.698 -9.667 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -2.858 -9.086 -9.864 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.100 -8.754 -8.320 1.00 10.00 H new ATOM 169 N MET A 12 -4.611 -7.992 -7.240 1.00 10.00 N ATOM 170 CA MET A 12 -5.783 -8.103 -6.383 1.00 10.00 C ATOM 171 C MET A 12 -6.983 -8.803 -7.028 1.00 10.00 C ATOM 172 O MET A 12 -7.850 -8.189 -7.645 1.00 10.00 O ATOM 173 CB MET A 12 -6.131 -6.728 -5.800 1.00 10.00 C ATOM 174 CG MET A 12 -6.312 -5.618 -6.846 1.00 10.00 C ATOM 175 SD MET A 12 -6.959 -4.059 -6.196 1.00 10.00 S ATOM 176 CE MET A 12 -5.767 -3.759 -4.876 1.00 10.00 C ATOM 0 H MET A 12 -4.041 -7.183 -6.991 1.00 10.00 H new ATOM 0 HA MET A 12 -5.516 -8.773 -5.566 1.00 10.00 H new ATOM 0 HB2 MET A 12 -7.050 -6.816 -5.220 1.00 10.00 H new ATOM 0 HB3 MET A 12 -5.343 -6.432 -5.107 1.00 10.00 H new ATOM 0 HG2 MET A 12 -5.350 -5.426 -7.321 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.985 -5.978 -7.624 1.00 10.00 H new ATOM 0 HE1 MET A 12 -5.834 -2.719 -4.555 1.00 10.00 H new ATOM 0 HE2 MET A 12 -5.986 -4.414 -4.033 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.760 -3.962 -5.242 1.00 10.00 H new ATOM 186 N THR A 13 -7.036 -10.114 -6.835 1.00 10.00 N ATOM 187 CA THR A 13 -8.059 -10.981 -7.386 1.00 10.00 C ATOM 188 C THR A 13 -9.379 -10.785 -6.651 1.00 10.00 C ATOM 189 O THR A 13 -10.429 -11.111 -7.203 1.00 10.00 O ATOM 190 CB THR A 13 -7.580 -12.438 -7.317 1.00 10.00 C ATOM 191 OG1 THR A 13 -6.785 -12.640 -6.162 1.00 10.00 O ATOM 192 CG2 THR A 13 -6.725 -12.784 -8.539 1.00 10.00 C ATOM 0 H THR A 13 -6.347 -10.614 -6.274 1.00 10.00 H new ATOM 0 HA THR A 13 -8.233 -10.725 -8.431 1.00 10.00 H new ATOM 0 HB THR A 13 -8.465 -13.074 -7.287 1.00 10.00 H new ATOM 0 HG1 THR A 13 -5.840 -12.509 -6.388 1.00 10.00 H new ATOM 0 HG21 THR A 13 -6.396 -13.821 -8.471 1.00 10.00 H new ATOM 0 HG22 THR A 13 -7.315 -12.650 -9.446 1.00 10.00 H new ATOM 0 HG23 THR A 13 -5.855 -12.128 -8.572 1.00 10.00 H new ATOM 200 N CYS A 14 -9.343 -10.271 -5.417 1.00 10.00 N ATOM 201 CA CYS A 14 -10.544 -9.976 -4.668 1.00 10.00 C ATOM 202 C CYS A 14 -10.296 -8.815 -3.713 1.00 10.00 C ATOM 203 O CYS A 14 -9.153 -8.492 -3.394 1.00 10.00 O ATOM 204 CB CYS A 14 -11.003 -11.234 -3.924 1.00 10.00 C ATOM 205 SG CYS A 14 -9.875 -11.783 -2.621 1.00 10.00 S ATOM 0 H CYS A 14 -8.479 -10.053 -4.921 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.339 -9.674 -5.349 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -11.982 -11.045 -3.484 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -11.128 -12.042 -4.644 1.00 10.00 H new ATOM 210 N ALA A 15 -11.378 -8.210 -3.220 1.00 10.00 N ATOM 211 CA ALA A 15 -11.307 -7.131 -2.244 1.00 10.00 C ATOM 212 C ALA A 15 -10.508 -7.542 -1.003 1.00 10.00 C ATOM 213 O ALA A 15 -9.903 -6.694 -0.349 1.00 10.00 O ATOM 214 CB ALA A 15 -12.723 -6.687 -1.871 1.00 10.00 C ATOM 0 H ALA A 15 -12.330 -8.458 -3.490 1.00 10.00 H new ATOM 0 HA ALA A 15 -10.778 -6.290 -2.693 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.671 -5.880 -1.141 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.241 -6.336 -2.763 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.267 -7.529 -1.443 1.00 10.00 H new ATOM 220 N ALA A 16 -10.481 -8.837 -0.668 1.00 10.00 N ATOM 221 CA ALA A 16 -9.685 -9.307 0.455 1.00 10.00 C ATOM 222 C ALA A 16 -8.199 -9.022 0.229 1.00 10.00 C ATOM 223 O ALA A 16 -7.521 -8.666 1.189 1.00 10.00 O ATOM 224 CB ALA A 16 -9.944 -10.784 0.754 1.00 10.00 C ATOM 0 H ALA A 16 -10.998 -9.567 -1.158 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.996 -8.750 1.339 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.331 -11.097 1.599 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.997 -10.927 0.997 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.689 -11.382 -0.121 1.00 10.00 H new ATOM 230 N CYS A 17 -7.691 -9.138 -1.009 1.00 10.00 N ATOM 231 CA CYS A 17 -6.319 -8.754 -1.331 1.00 10.00 C ATOM 232 C CYS A 17 -6.098 -7.294 -0.938 1.00 10.00 C ATOM 233 O CYS A 17 -5.171 -6.958 -0.201 1.00 10.00 O ATOM 234 CB CYS A 17 -6.043 -8.930 -2.830 1.00 10.00 C ATOM 235 SG CYS A 17 -5.958 -10.641 -3.429 1.00 10.00 S ATOM 0 H CYS A 17 -8.219 -9.498 -1.804 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.636 -9.396 -0.776 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -6.823 -8.410 -3.386 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.100 -8.436 -3.066 1.00 10.00 H new ATOM 240 N ALA A 18 -6.983 -6.432 -1.433 1.00 10.00 N ATOM 241 CA ALA A 18 -6.948 -5.008 -1.155 1.00 10.00 C ATOM 242 C ALA A 18 -6.903 -4.769 0.367 1.00 10.00 C ATOM 243 O ALA A 18 -5.985 -4.146 0.899 1.00 10.00 O ATOM 244 CB ALA A 18 -8.116 -4.343 -1.888 1.00 10.00 C ATOM 0 H ALA A 18 -7.751 -6.711 -2.044 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.040 -4.539 -1.535 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.106 -3.271 -1.691 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.019 -4.516 -2.960 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.056 -4.768 -1.536 1.00 10.00 H new ATOM 250 N ASN A 19 -7.852 -5.346 1.103 1.00 10.00 N ATOM 251 CA ASN A 19 -7.904 -5.206 2.558 1.00 10.00 C ATOM 252 C ASN A 19 -6.641 -5.773 3.234 1.00 10.00 C ATOM 253 O ASN A 19 -6.189 -5.250 4.256 1.00 10.00 O ATOM 254 CB ASN A 19 -9.182 -5.863 3.098 1.00 10.00 C ATOM 255 CG ASN A 19 -9.659 -5.270 4.426 1.00 10.00 C ATOM 256 OD1 ASN A 19 -10.860 -5.150 4.642 1.00 10.00 O ATOM 257 ND2 ASN A 19 -8.762 -4.897 5.334 1.00 10.00 N ATOM 0 H ASN A 19 -8.600 -5.919 0.712 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.931 -4.144 2.801 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.975 -5.760 2.357 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -9.005 -6.931 3.229 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -9.070 -4.505 6.224 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -7.766 -5.003 5.140 1.00 10.00 H new ATOM 264 N ARG A 20 -6.068 -6.849 2.686 1.00 10.00 N ATOM 265 CA ARG A 20 -4.823 -7.438 3.155 1.00 10.00 C ATOM 266 C ARG A 20 -3.696 -6.410 3.054 1.00 10.00 C ATOM 267 O ARG A 20 -2.861 -6.322 3.959 1.00 10.00 O ATOM 268 CB ARG A 20 -4.496 -8.677 2.307 1.00 10.00 C ATOM 269 CG ARG A 20 -4.585 -10.016 3.041 1.00 10.00 C ATOM 270 CD ARG A 20 -4.676 -11.148 1.998 1.00 10.00 C ATOM 271 NE ARG A 20 -3.760 -12.270 2.260 1.00 10.00 N ATOM 272 CZ ARG A 20 -3.861 -13.147 3.270 1.00 10.00 C ATOM 273 NH1 ARG A 20 -4.794 -12.967 4.209 1.00 10.00 N ATOM 274 NH2 ARG A 20 -3.027 -14.192 3.333 1.00 10.00 N ATOM 0 H ARG A 20 -6.470 -7.340 1.888 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.928 -7.738 4.198 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -5.175 -8.703 1.455 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.488 -8.567 1.907 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.711 -10.157 3.676 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -5.458 -10.032 3.693 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.699 -11.524 1.972 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -4.461 -10.738 1.011 1.00 10.00 H new ATOM 0 HE ARG A 20 -2.978 -12.392 1.616 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -5.424 -12.167 4.155 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -4.876 -13.630 4.980 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -2.316 -14.321 2.613 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -3.103 -14.859 4.101 1.00 10.00 H new ATOM 288 N ILE A 21 -3.657 -5.642 1.956 1.00 10.00 N ATOM 289 CA ILE A 21 -2.646 -4.597 1.829 1.00 10.00 C ATOM 290 C ILE A 21 -2.775 -3.635 3.004 1.00 10.00 C ATOM 291 O ILE A 21 -1.783 -3.383 3.678 1.00 10.00 O ATOM 292 CB ILE A 21 -2.646 -3.831 0.488 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.164 -4.660 -0.685 1.00 10.00 C ATOM 294 CG2 ILE A 21 -1.204 -3.382 0.209 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.832 -4.114 -2.074 1.00 10.00 C ATOM 0 H ILE A 21 -4.297 -5.724 1.166 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.683 -5.107 1.842 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.326 -2.984 0.580 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -2.757 -5.668 -0.603 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.247 -4.746 -0.597 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.169 -2.836 -0.734 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.862 -2.734 1.016 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.556 -4.256 0.147 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -3.245 -4.777 -2.834 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -3.263 -3.119 -2.187 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.750 -4.056 -2.193 1.00 10.00 H new ATOM 307 N GLU A 22 -3.984 -3.132 3.276 1.00 10.00 N ATOM 308 CA GLU A 22 -4.217 -2.196 4.374 1.00 10.00 C ATOM 309 C GLU A 22 -3.653 -2.744 5.681 1.00 10.00 C ATOM 310 O GLU A 22 -2.926 -2.047 6.390 1.00 10.00 O ATOM 311 CB GLU A 22 -5.710 -1.882 4.531 1.00 10.00 C ATOM 312 CG GLU A 22 -6.308 -1.440 3.197 1.00 10.00 C ATOM 313 CD GLU A 22 -7.666 -0.770 3.327 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.231 -0.818 4.440 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.104 -0.214 2.295 1.00 10.00 O ATOM 0 H GLU A 22 -4.822 -3.362 2.743 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.699 -1.268 4.131 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.236 -2.763 4.898 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.846 -1.097 5.275 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.618 -0.751 2.710 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.403 -2.309 2.546 1.00 10.00 H new ATOM 322 N LYS A 23 -3.974 -4.005 5.979 1.00 10.00 N ATOM 323 CA LYS A 23 -3.452 -4.734 7.122 1.00 10.00 C ATOM 324 C LYS A 23 -1.921 -4.644 7.171 1.00 10.00 C ATOM 325 O LYS A 23 -1.354 -4.186 8.163 1.00 10.00 O ATOM 326 CB LYS A 23 -3.951 -6.189 7.037 1.00 10.00 C ATOM 327 CG LYS A 23 -5.080 -6.496 8.032 1.00 10.00 C ATOM 328 CD LYS A 23 -4.556 -7.116 9.337 1.00 10.00 C ATOM 329 CE LYS A 23 -4.258 -8.616 9.154 1.00 10.00 C ATOM 330 NZ LYS A 23 -3.825 -9.260 10.412 1.00 10.00 N ATOM 0 H LYS A 23 -4.621 -4.555 5.414 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.813 -4.293 8.051 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.302 -6.388 6.025 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.116 -6.865 7.223 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.620 -5.577 8.260 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.793 -7.178 7.569 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.651 -6.597 9.652 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -5.293 -6.982 10.129 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -5.150 -9.118 8.780 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.482 -8.740 8.399 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.636 -10.268 10.239 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.959 -8.800 10.757 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.575 -9.166 11.126 1.00 10.00 H new ATOM 344 N ARG A 24 -1.238 -5.094 6.116 1.00 10.00 N ATOM 345 CA ARG A 24 0.222 -5.073 6.107 1.00 10.00 C ATOM 346 C ARG A 24 0.772 -3.654 6.223 1.00 10.00 C ATOM 347 O ARG A 24 1.696 -3.431 6.997 1.00 10.00 O ATOM 348 CB ARG A 24 0.780 -5.783 4.869 1.00 10.00 C ATOM 349 CG ARG A 24 0.960 -7.278 5.156 1.00 10.00 C ATOM 350 CD ARG A 24 2.190 -7.561 6.032 1.00 10.00 C ATOM 351 NE ARG A 24 1.919 -8.653 6.984 1.00 10.00 N ATOM 352 CZ ARG A 24 2.839 -9.432 7.577 1.00 10.00 C ATOM 353 NH1 ARG A 24 4.136 -9.283 7.287 1.00 10.00 N ATOM 354 NH2 ARG A 24 2.455 -10.355 8.467 1.00 10.00 N ATOM 0 H ARG A 24 -1.666 -5.471 5.271 1.00 10.00 H new ATOM 0 HA ARG A 24 0.556 -5.621 6.988 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.104 -5.646 4.025 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.736 -5.341 4.587 1.00 10.00 H new ATOM 0 HG2 ARG A 24 0.068 -7.660 5.652 1.00 10.00 H new ATOM 0 HG3 ARG A 24 1.056 -7.817 4.214 1.00 10.00 H new ATOM 0 HD2 ARG A 24 3.038 -7.826 5.400 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.468 -6.659 6.577 1.00 10.00 H new ATOM 0 HE ARG A 24 0.942 -8.834 7.214 1.00 10.00 H new ATOM 0 HH11 ARG A 24 4.430 -8.576 6.613 1.00 10.00 H new ATOM 0 HH12 ARG A 24 4.831 -9.877 7.740 1.00 10.00 H new ATOM 0 HH21 ARG A 24 1.467 -10.465 8.693 1.00 10.00 H new ATOM 0 HH22 ARG A 24 3.151 -10.948 8.919 1.00 10.00 H new ATOM 368 N LEU A 25 0.218 -2.708 5.468 1.00 10.00 N ATOM 369 CA LEU A 25 0.635 -1.314 5.481 1.00 10.00 C ATOM 370 C LEU A 25 0.558 -0.770 6.905 1.00 10.00 C ATOM 371 O LEU A 25 1.546 -0.266 7.430 1.00 10.00 O ATOM 372 CB LEU A 25 -0.234 -0.507 4.500 1.00 10.00 C ATOM 373 CG LEU A 25 0.132 -0.825 3.038 1.00 10.00 C ATOM 374 CD1 LEU A 25 -1.023 -0.509 2.085 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.341 0.007 2.603 1.00 10.00 C ATOM 0 H LEU A 25 -0.547 -2.895 4.820 1.00 10.00 H new ATOM 0 HA LEU A 25 1.670 -1.225 5.152 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.286 -0.734 4.671 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.103 0.559 4.687 1.00 10.00 H new ATOM 0 HG LEU A 25 0.358 -1.890 2.991 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.727 -0.746 1.063 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.894 -1.105 2.358 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.272 0.550 2.154 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.590 -0.227 1.568 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.103 1.067 2.688 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.192 -0.226 3.243 1.00 10.00 H new ATOM 387 N ASN A 26 -0.594 -0.941 7.556 1.00 10.00 N ATOM 388 CA ASN A 26 -0.787 -0.562 8.949 1.00 10.00 C ATOM 389 C ASN A 26 0.243 -1.225 9.861 1.00 10.00 C ATOM 390 O ASN A 26 0.683 -0.626 10.837 1.00 10.00 O ATOM 391 CB ASN A 26 -2.196 -0.948 9.410 1.00 10.00 C ATOM 392 CG ASN A 26 -3.212 0.146 9.105 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.569 0.929 9.976 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.691 0.210 7.868 1.00 10.00 N ATOM 0 H ASN A 26 -1.423 -1.350 7.124 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.658 0.518 9.016 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.499 -1.872 8.918 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.186 -1.146 10.482 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.375 0.925 7.622 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.375 -0.456 7.163 1.00 10.00 H new ATOM 401 N LYS A 27 0.612 -2.475 9.569 1.00 10.00 N ATOM 402 CA LYS A 27 1.608 -3.185 10.352 1.00 10.00 C ATOM 403 C LYS A 27 2.971 -2.484 10.290 1.00 10.00 C ATOM 404 O LYS A 27 3.781 -2.671 11.196 1.00 10.00 O ATOM 405 CB LYS A 27 1.694 -4.650 9.891 1.00 10.00 C ATOM 406 CG LYS A 27 2.234 -5.601 10.973 1.00 10.00 C ATOM 407 CD LYS A 27 3.509 -6.338 10.535 1.00 10.00 C ATOM 408 CE LYS A 27 4.734 -5.410 10.607 1.00 10.00 C ATOM 409 NZ LYS A 27 6.019 -6.109 10.412 1.00 10.00 N ATOM 0 H LYS A 27 0.230 -3.012 8.791 1.00 10.00 H new ATOM 0 HA LYS A 27 1.300 -3.177 11.398 1.00 10.00 H new ATOM 0 HB2 LYS A 27 0.703 -4.985 9.585 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.336 -4.709 9.012 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.442 -5.032 11.879 1.00 10.00 H new ATOM 0 HG3 LYS A 27 1.465 -6.332 11.224 1.00 10.00 H new ATOM 0 HD2 LYS A 27 3.669 -7.207 11.173 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.388 -6.708 9.517 1.00 10.00 H new ATOM 0 HE2 LYS A 27 4.635 -4.632 9.850 1.00 10.00 H new ATOM 0 HE3 LYS A 27 4.745 -4.912 11.576 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 6.799 -5.424 10.473 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.136 -6.833 11.149 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 6.029 -6.563 9.476 1.00 10.00 H new ATOM 423 N ILE A 28 3.270 -1.730 9.224 1.00 10.00 N ATOM 424 CA ILE A 28 4.538 -1.018 9.128 1.00 10.00 C ATOM 425 C ILE A 28 4.499 0.192 10.058 1.00 10.00 C ATOM 426 O ILE A 28 3.543 0.967 10.076 1.00 10.00 O ATOM 427 CB ILE A 28 4.857 -0.585 7.690 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.587 -1.640 6.623 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.265 0.019 7.570 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.429 -2.873 6.864 1.00 10.00 C ATOM 0 H ILE A 28 2.651 -1.602 8.424 1.00 10.00 H new ATOM 0 HA ILE A 28 5.335 -1.697 9.431 1.00 10.00 H new ATOM 0 HB ILE A 28 4.136 0.203 7.475 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.531 -1.908 6.629 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.806 -1.231 5.637 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.449 0.311 6.536 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.341 0.895 8.214 1.00 10.00 H new ATOM 0 HG23 ILE A 28 7.005 -0.721 7.875 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.220 -3.613 6.091 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.485 -2.604 6.834 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.189 -3.292 7.841 1.00 10.00 H new ATOM 442 N GLU A 29 5.566 0.345 10.830 1.00 10.00 N ATOM 443 CA GLU A 29 5.673 1.365 11.854 1.00 10.00 C ATOM 444 C GLU A 29 6.012 2.703 11.190 1.00 10.00 C ATOM 445 O GLU A 29 6.882 2.765 10.324 1.00 10.00 O ATOM 446 CB GLU A 29 6.692 0.917 12.911 1.00 10.00 C ATOM 447 CG GLU A 29 6.346 -0.505 13.394 1.00 10.00 C ATOM 448 CD GLU A 29 7.097 -0.895 14.659 1.00 10.00 C ATOM 449 OE1 GLU A 29 6.848 -0.234 15.689 1.00 10.00 O ATOM 450 OE2 GLU A 29 7.879 -1.867 14.574 1.00 10.00 O ATOM 0 H GLU A 29 6.393 -0.248 10.758 1.00 10.00 H new ATOM 0 HA GLU A 29 4.729 1.507 12.379 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.698 0.935 12.491 1.00 10.00 H new ATOM 0 HB3 GLU A 29 6.686 1.609 13.753 1.00 10.00 H new ATOM 0 HG2 GLU A 29 5.274 -0.571 13.578 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.578 -1.219 12.604 1.00 10.00 H new ATOM 457 N GLY A 30 5.287 3.761 11.558 1.00 10.00 N ATOM 458 CA GLY A 30 5.411 5.073 10.935 1.00 10.00 C ATOM 459 C GLY A 30 4.535 5.219 9.687 1.00 10.00 C ATOM 460 O GLY A 30 4.780 6.104 8.870 1.00 10.00 O ATOM 0 H GLY A 30 4.592 3.727 12.304 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.137 5.841 11.658 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.453 5.246 10.665 1.00 10.00 H new ATOM 464 N VAL A 31 3.497 4.383 9.552 1.00 10.00 N ATOM 465 CA VAL A 31 2.396 4.592 8.619 1.00 10.00 C ATOM 466 C VAL A 31 1.211 5.127 9.423 1.00 10.00 C ATOM 467 O VAL A 31 0.954 4.646 10.525 1.00 10.00 O ATOM 468 CB VAL A 31 2.061 3.283 7.883 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.826 3.433 6.982 1.00 10.00 C ATOM 470 CG2 VAL A 31 3.253 2.858 7.017 1.00 10.00 C ATOM 0 H VAL A 31 3.403 3.529 10.101 1.00 10.00 H new ATOM 0 HA VAL A 31 2.663 5.315 7.848 1.00 10.00 H new ATOM 0 HB VAL A 31 1.846 2.528 8.640 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.624 2.486 6.481 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.035 3.713 7.589 1.00 10.00 H new ATOM 0 HG13 VAL A 31 1.011 4.206 6.236 1.00 10.00 H new ATOM 0 HG21 VAL A 31 3.013 1.931 6.497 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.469 3.638 6.287 1.00 10.00 H new ATOM 0 HG23 VAL A 31 4.126 2.703 7.651 1.00 10.00 H new ATOM 480 N ALA A 32 0.510 6.130 8.886 1.00 10.00 N ATOM 481 CA ALA A 32 -0.665 6.717 9.513 1.00 10.00 C ATOM 482 C ALA A 32 -1.932 6.048 8.983 1.00 10.00 C ATOM 483 O ALA A 32 -2.783 5.648 9.771 1.00 10.00 O ATOM 484 CB ALA A 32 -0.691 8.231 9.281 1.00 10.00 C ATOM 0 H ALA A 32 0.750 6.558 7.992 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.620 6.547 10.589 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.575 8.657 9.755 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.204 8.680 9.712 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.720 8.435 8.211 1.00 10.00 H new ATOM 490 N ASN A 33 -2.069 5.924 7.658 1.00 10.00 N ATOM 491 CA ASN A 33 -3.247 5.336 7.027 1.00 10.00 C ATOM 492 C ASN A 33 -2.829 4.781 5.675 1.00 10.00 C ATOM 493 O ASN A 33 -1.752 5.111 5.185 1.00 10.00 O ATOM 494 CB ASN A 33 -4.347 6.388 6.801 1.00 10.00 C ATOM 495 CG ASN A 33 -5.031 6.853 8.077 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.736 6.082 8.718 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.884 8.125 8.429 1.00 10.00 N ATOM 0 H ASN A 33 -1.359 6.232 6.993 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.643 4.557 7.679 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -3.911 7.252 6.299 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.098 5.974 6.128 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.365 8.485 9.253 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.290 8.742 7.875 1.00 10.00 H new ATOM 504 N ALA A 34 -3.695 3.981 5.048 1.00 10.00 N ATOM 505 CA ALA A 34 -3.509 3.534 3.676 1.00 10.00 C ATOM 506 C ALA A 34 -4.744 2.819 3.117 1.00 10.00 C ATOM 507 O ALA A 34 -4.662 1.630 2.817 1.00 10.00 O ATOM 508 CB ALA A 34 -2.296 2.610 3.584 1.00 10.00 C ATOM 0 H ALA A 34 -4.546 3.627 5.484 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.346 4.426 3.071 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.166 2.281 2.553 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.404 3.146 3.909 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.451 1.742 4.225 1.00 10.00 H new ATOM 514 N PRO A 35 -5.882 3.507 2.952 1.00 10.00 N ATOM 515 CA PRO A 35 -7.046 2.902 2.328 1.00 10.00 C ATOM 516 C PRO A 35 -6.772 2.634 0.839 1.00 10.00 C ATOM 517 O PRO A 35 -6.296 3.530 0.137 1.00 10.00 O ATOM 518 CB PRO A 35 -8.180 3.907 2.542 1.00 10.00 C ATOM 519 CG PRO A 35 -7.454 5.252 2.621 1.00 10.00 C ATOM 520 CD PRO A 35 -6.129 4.899 3.297 1.00 10.00 C ATOM 0 HA PRO A 35 -7.303 1.934 2.758 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.896 3.885 1.721 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.736 3.697 3.456 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.298 5.684 1.632 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.020 5.981 3.201 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.323 5.541 2.942 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.191 5.032 4.377 1.00 10.00 H new ATOM 528 N VAL A 36 -7.052 1.417 0.352 1.00 10.00 N ATOM 529 CA VAL A 36 -6.940 1.056 -1.057 1.00 10.00 C ATOM 530 C VAL A 36 -8.321 0.943 -1.702 1.00 10.00 C ATOM 531 O VAL A 36 -9.262 0.449 -1.082 1.00 10.00 O ATOM 532 CB VAL A 36 -6.102 -0.222 -1.191 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.651 -1.398 -0.396 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.926 -0.667 -2.644 1.00 10.00 C ATOM 0 H VAL A 36 -7.368 0.647 0.941 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.421 1.844 -1.603 1.00 10.00 H new ATOM 0 HB VAL A 36 -5.134 0.060 -0.775 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.007 -2.266 -0.539 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -6.682 -1.139 0.662 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -7.658 -1.632 -0.741 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.325 -1.576 -2.676 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -6.903 -0.863 -3.086 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.424 0.120 -3.207 1.00 10.00 H new ATOM 544 N ASN A 37 -8.463 1.412 -2.947 1.00 10.00 N ATOM 545 CA ASN A 37 -9.720 1.293 -3.669 1.00 10.00 C ATOM 546 C ASN A 37 -9.795 -0.030 -4.427 1.00 10.00 C ATOM 547 O ASN A 37 -8.844 -0.807 -4.443 1.00 10.00 O ATOM 548 CB ASN A 37 -9.926 2.508 -4.578 1.00 10.00 C ATOM 549 CG ASN A 37 -9.147 2.493 -5.894 1.00 10.00 C ATOM 550 OD1 ASN A 37 -9.112 1.523 -6.642 1.00 10.00 O ATOM 551 ND2 ASN A 37 -8.571 3.622 -6.255 1.00 10.00 N ATOM 0 H ASN A 37 -7.720 1.876 -3.469 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.541 1.283 -2.952 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -10.988 2.591 -4.807 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -9.649 3.404 -4.023 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -8.097 3.687 -7.156 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -8.599 4.430 -5.634 1.00 10.00 H new ATOM 558 N PHE A 38 -10.935 -0.263 -5.081 1.00 10.00 N ATOM 559 CA PHE A 38 -11.120 -1.377 -5.998 1.00 10.00 C ATOM 560 C PHE A 38 -11.849 -0.848 -7.237 1.00 10.00 C ATOM 561 O PHE A 38 -12.899 -1.363 -7.617 1.00 10.00 O ATOM 562 CB PHE A 38 -11.880 -2.496 -5.267 1.00 10.00 C ATOM 563 CG PHE A 38 -11.515 -3.892 -5.727 1.00 10.00 C ATOM 564 CD1 PHE A 38 -10.456 -4.572 -5.099 1.00 10.00 C ATOM 565 CD2 PHE A 38 -12.165 -4.480 -6.826 1.00 10.00 C ATOM 566 CE1 PHE A 38 -10.070 -5.845 -5.545 1.00 10.00 C ATOM 567 CE2 PHE A 38 -11.759 -5.743 -7.291 1.00 10.00 C ATOM 568 CZ PHE A 38 -10.716 -6.431 -6.646 1.00 10.00 C ATOM 0 H PHE A 38 -11.762 0.326 -4.984 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.175 -1.807 -6.331 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.685 -2.415 -4.198 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.950 -2.346 -5.408 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -9.938 -4.112 -4.270 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -12.977 -3.961 -7.314 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.275 -6.375 -5.041 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -12.249 -6.186 -8.145 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.413 -7.407 -6.996 1.00 10.00 H new ATOM 578 N ALA A 39 -11.337 0.251 -7.801 1.00 10.00 N ATOM 579 CA ALA A 39 -11.931 0.907 -8.962 1.00 10.00 C ATOM 580 C ALA A 39 -10.888 1.506 -9.912 1.00 10.00 C ATOM 581 O ALA A 39 -11.085 1.474 -11.124 1.00 10.00 O ATOM 582 CB ALA A 39 -12.914 1.982 -8.492 1.00 10.00 C ATOM 0 H ALA A 39 -10.493 0.711 -7.459 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.459 0.144 -9.534 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.358 2.473 -9.358 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.700 1.520 -7.894 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.385 2.720 -7.889 1.00 10.00 H new ATOM 588 N LEU A 40 -9.837 2.135 -9.371 1.00 10.00 N ATOM 589 CA LEU A 40 -8.738 2.715 -10.147 1.00 10.00 C ATOM 590 C LEU A 40 -7.436 1.967 -9.874 1.00 10.00 C ATOM 591 O LEU A 40 -6.399 2.300 -10.442 1.00 10.00 O ATOM 592 CB LEU A 40 -8.536 4.198 -9.795 1.00 10.00 C ATOM 593 CG LEU A 40 -9.798 5.038 -9.771 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.816 6.029 -8.603 1.00 10.00 C ATOM 595 CD2 LEU A 40 -10.015 5.770 -11.098 1.00 10.00 C ATOM 0 H LEU A 40 -9.726 2.256 -8.364 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.001 2.627 -11.201 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -8.060 4.260 -8.817 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.843 4.634 -10.515 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.625 4.343 -9.625 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.740 6.607 -8.630 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.757 5.483 -7.662 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.964 6.704 -8.685 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.929 6.361 -11.042 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.168 6.428 -11.293 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.102 5.042 -11.905 1.00 10.00 H new ATOM 607 N GLU A 41 -7.503 1.002 -8.959 1.00 10.00 N ATOM 608 CA GLU A 41 -6.425 0.112 -8.568 1.00 10.00 C ATOM 609 C GLU A 41 -5.285 0.932 -7.972 1.00 10.00 C ATOM 610 O GLU A 41 -4.125 0.808 -8.357 1.00 10.00 O ATOM 611 CB GLU A 41 -6.024 -0.787 -9.745 1.00 10.00 C ATOM 612 CG GLU A 41 -7.087 -1.859 -10.025 1.00 10.00 C ATOM 613 CD GLU A 41 -8.436 -1.281 -10.441 1.00 10.00 C ATOM 614 OE1 GLU A 41 -8.596 -1.036 -11.655 1.00 10.00 O ATOM 615 OE2 GLU A 41 -9.268 -1.061 -9.531 1.00 10.00 O ATOM 0 H GLU A 41 -8.363 0.814 -8.444 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.748 -0.573 -7.784 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -5.878 -0.177 -10.636 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.070 -1.268 -9.528 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -6.726 -2.521 -10.812 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -7.221 -2.469 -9.132 1.00 10.00 H new ATOM 622 N THR A 42 -5.658 1.755 -6.990 1.00 10.00 N ATOM 623 CA THR A 42 -4.805 2.723 -6.330 1.00 10.00 C ATOM 624 C THR A 42 -4.973 2.633 -4.812 1.00 10.00 C ATOM 625 O THR A 42 -6.087 2.419 -4.322 1.00 10.00 O ATOM 626 CB THR A 42 -5.117 4.137 -6.835 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.731 4.256 -8.188 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.395 5.200 -6.013 1.00 10.00 C ATOM 0 H THR A 42 -6.609 1.758 -6.622 1.00 10.00 H new ATOM 0 HA THR A 42 -3.766 2.498 -6.569 1.00 10.00 H new ATOM 0 HB THR A 42 -6.190 4.296 -6.733 1.00 10.00 H new ATOM 0 HG1 THR A 42 -4.933 5.160 -8.508 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.641 6.189 -6.401 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.709 5.130 -4.972 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.319 5.042 -6.079 1.00 10.00 H new ATOM 636 N VAL A 43 -3.865 2.837 -4.087 1.00 10.00 N ATOM 637 CA VAL A 43 -3.829 3.022 -2.641 1.00 10.00 C ATOM 638 C VAL A 43 -3.152 4.350 -2.324 1.00 10.00 C ATOM 639 O VAL A 43 -2.107 4.665 -2.895 1.00 10.00 O ATOM 640 CB VAL A 43 -3.145 1.828 -1.948 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.705 1.588 -2.417 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.144 1.971 -0.422 1.00 10.00 C ATOM 0 H VAL A 43 -2.939 2.878 -4.512 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.845 3.058 -2.248 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.745 0.966 -2.239 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.287 0.732 -1.886 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.700 1.388 -3.489 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.103 2.473 -2.210 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.652 1.107 0.024 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.609 2.878 -0.142 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.171 2.030 -0.061 1.00 10.00 H new ATOM 652 N THR A 44 -3.766 5.122 -1.424 1.00 10.00 N ATOM 653 CA THR A 44 -3.318 6.424 -0.993 1.00 10.00 C ATOM 654 C THR A 44 -2.693 6.272 0.391 1.00 10.00 C ATOM 655 O THR A 44 -3.397 6.362 1.398 1.00 10.00 O ATOM 656 CB THR A 44 -4.563 7.316 -0.950 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.565 6.670 -0.191 1.00 10.00 O ATOM 658 CG2 THR A 44 -5.124 7.592 -2.346 1.00 10.00 C ATOM 0 H THR A 44 -4.628 4.832 -0.962 1.00 10.00 H new ATOM 0 HA THR A 44 -2.573 6.862 -1.657 1.00 10.00 H new ATOM 0 HB THR A 44 -4.272 8.267 -0.503 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.169 6.298 0.624 1.00 10.00 H new ATOM 0 HG21 THR A 44 -6.005 8.228 -2.265 1.00 10.00 H new ATOM 0 HG22 THR A 44 -4.368 8.095 -2.949 1.00 10.00 H new ATOM 0 HG23 THR A 44 -5.399 6.650 -2.820 1.00 10.00 H new ATOM 666 N VAL A 45 -1.392 5.992 0.453 1.00 10.00 N ATOM 667 CA VAL A 45 -0.721 5.756 1.719 1.00 10.00 C ATOM 668 C VAL A 45 -0.432 7.097 2.385 1.00 10.00 C ATOM 669 O VAL A 45 0.214 7.960 1.793 1.00 10.00 O ATOM 670 CB VAL A 45 0.555 4.936 1.501 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.263 4.615 2.828 1.00 10.00 C ATOM 672 CG2 VAL A 45 0.194 3.608 0.832 1.00 10.00 C ATOM 0 H VAL A 45 -0.785 5.924 -0.364 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.363 5.175 2.381 1.00 10.00 H new ATOM 0 HB VAL A 45 1.223 5.530 0.878 1.00 10.00 H new ATOM 0 HG11 VAL A 45 2.163 4.033 2.629 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.536 5.544 3.329 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.593 4.041 3.468 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.099 3.022 0.675 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.492 3.053 1.472 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.283 3.802 -0.128 1.00 10.00 H new ATOM 682 N GLU A 46 -0.895 7.245 3.626 1.00 10.00 N ATOM 683 CA GLU A 46 -0.575 8.360 4.495 1.00 10.00 C ATOM 684 C GLU A 46 0.518 7.893 5.453 1.00 10.00 C ATOM 685 O GLU A 46 0.284 6.982 6.252 1.00 10.00 O ATOM 686 CB GLU A 46 -1.833 8.808 5.252 1.00 10.00 C ATOM 687 CG GLU A 46 -1.833 10.324 5.448 1.00 10.00 C ATOM 688 CD GLU A 46 -3.044 10.830 6.218 1.00 10.00 C ATOM 689 OE1 GLU A 46 -3.615 10.022 6.985 1.00 10.00 O ATOM 690 OE2 GLU A 46 -3.365 12.023 6.016 1.00 10.00 O ATOM 0 H GLU A 46 -1.522 6.568 4.061 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.220 9.218 3.924 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.723 8.508 4.699 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.877 8.311 6.221 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -0.926 10.615 5.978 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -1.802 10.810 4.473 1.00 10.00 H new ATOM 697 N TYR A 47 1.713 8.477 5.374 1.00 10.00 N ATOM 698 CA TYR A 47 2.827 8.102 6.236 1.00 10.00 C ATOM 699 C TYR A 47 3.820 9.247 6.310 1.00 10.00 C ATOM 700 O TYR A 47 3.658 10.249 5.622 1.00 10.00 O ATOM 701 CB TYR A 47 3.515 6.828 5.727 1.00 10.00 C ATOM 702 CG TYR A 47 4.359 6.991 4.478 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.753 7.078 3.212 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.761 7.074 4.585 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.549 7.157 2.058 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.544 7.290 3.441 1.00 10.00 C ATOM 707 CZ TYR A 47 5.939 7.308 2.174 1.00 10.00 C ATOM 708 OH TYR A 47 6.697 7.461 1.053 1.00 10.00 O ATOM 0 H TYR A 47 1.933 9.221 4.712 1.00 10.00 H new ATOM 0 HA TYR A 47 2.441 7.895 7.234 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.149 6.437 6.523 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.749 6.077 5.531 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.676 7.084 3.127 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.235 6.971 5.550 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.091 7.102 1.081 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.609 7.442 3.535 1.00 10.00 H new ATOM 0 HH TYR A 47 7.639 7.554 1.305 1.00 10.00 H new ATOM 718 N ASN A 48 4.848 9.087 7.139 1.00 10.00 N ATOM 719 CA ASN A 48 5.939 10.024 7.313 1.00 10.00 C ATOM 720 C ASN A 48 7.264 9.336 6.973 1.00 10.00 C ATOM 721 O ASN A 48 7.564 8.295 7.559 1.00 10.00 O ATOM 722 CB ASN A 48 5.956 10.574 8.746 1.00 10.00 C ATOM 723 CG ASN A 48 5.642 9.578 9.863 1.00 10.00 C ATOM 724 OD1 ASN A 48 4.649 8.860 9.824 1.00 10.00 O ATOM 725 ND2 ASN A 48 6.432 9.594 10.927 1.00 10.00 N ATOM 0 H ASN A 48 4.941 8.262 7.731 1.00 10.00 H new ATOM 0 HA ASN A 48 5.798 10.867 6.637 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.941 11.000 8.936 1.00 10.00 H new ATOM 0 HB3 ASN A 48 5.238 11.392 8.806 1.00 10.00 H new ATOM 0 HD21 ASN A 48 6.218 9.003 11.730 1.00 10.00 H new ATOM 0 HD22 ASN A 48 7.254 10.197 10.943 1.00 10.00 H new ATOM 732 N PRO A 49 8.071 9.898 6.052 1.00 10.00 N ATOM 733 CA PRO A 49 9.359 9.344 5.675 1.00 10.00 C ATOM 734 C PRO A 49 10.356 9.566 6.814 1.00 10.00 C ATOM 735 O PRO A 49 11.182 10.477 6.774 1.00 10.00 O ATOM 736 CB PRO A 49 9.754 10.074 4.386 1.00 10.00 C ATOM 737 CG PRO A 49 9.103 11.446 4.550 1.00 10.00 C ATOM 738 CD PRO A 49 7.820 11.128 5.316 1.00 10.00 C ATOM 0 HA PRO A 49 9.335 8.268 5.500 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.836 10.151 4.282 1.00 10.00 H new ATOM 0 HB3 PRO A 49 9.385 9.556 3.501 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.743 12.133 5.103 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.893 11.911 3.587 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.562 11.941 5.995 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.980 11.006 4.632 1.00 10.00 H new ATOM 746 N LYS A 50 10.254 8.733 7.850 1.00 10.00 N ATOM 747 CA LYS A 50 11.189 8.709 8.962 1.00 10.00 C ATOM 748 C LYS A 50 11.518 7.262 9.322 1.00 10.00 C ATOM 749 O LYS A 50 12.693 6.915 9.417 1.00 10.00 O ATOM 750 CB LYS A 50 10.621 9.505 10.152 1.00 10.00 C ATOM 751 CG LYS A 50 11.700 9.814 11.202 1.00 10.00 C ATOM 752 CD LYS A 50 12.583 10.995 10.757 1.00 10.00 C ATOM 753 CE LYS A 50 13.966 10.976 11.424 1.00 10.00 C ATOM 754 NZ LYS A 50 13.890 11.082 12.894 1.00 10.00 N ATOM 0 H LYS A 50 9.505 8.046 7.936 1.00 10.00 H new ATOM 0 HA LYS A 50 12.122 9.194 8.677 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.188 10.438 9.791 1.00 10.00 H new ATOM 0 HB3 LYS A 50 9.814 8.938 10.616 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.227 10.048 12.156 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.320 8.932 11.362 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.704 10.966 9.674 1.00 10.00 H new ATOM 0 HD3 LYS A 50 12.080 11.932 10.997 1.00 10.00 H new ATOM 0 HE2 LYS A 50 14.481 10.054 11.156 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.564 11.800 11.035 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 14.851 11.082 13.292 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.408 11.966 13.154 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 13.358 10.273 13.273 1.00 10.00 H new ATOM 768 N GLU A 51 10.483 6.443 9.529 1.00 10.00 N ATOM 769 CA GLU A 51 10.619 5.042 9.910 1.00 10.00 C ATOM 770 C GLU A 51 10.134 4.124 8.784 1.00 10.00 C ATOM 771 O GLU A 51 10.797 3.142 8.464 1.00 10.00 O ATOM 772 CB GLU A 51 9.898 4.803 11.242 1.00 10.00 C ATOM 773 CG GLU A 51 10.385 5.817 12.291 1.00 10.00 C ATOM 774 CD GLU A 51 9.911 5.471 13.694 1.00 10.00 C ATOM 775 OE1 GLU A 51 10.320 4.396 14.178 1.00 10.00 O ATOM 776 OE2 GLU A 51 9.171 6.305 14.258 1.00 10.00 O ATOM 0 H GLU A 51 9.513 6.744 9.434 1.00 10.00 H new ATOM 0 HA GLU A 51 11.670 4.797 10.063 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.821 4.898 11.104 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.087 3.788 11.590 1.00 10.00 H new ATOM 0 HG2 GLU A 51 11.474 5.855 12.277 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.028 6.812 12.024 1.00 10.00 H new ATOM 783 N ALA A 52 9.004 4.461 8.152 1.00 10.00 N ATOM 784 CA ALA A 52 8.539 3.816 6.940 1.00 10.00 C ATOM 785 C ALA A 52 9.099 4.573 5.738 1.00 10.00 C ATOM 786 O ALA A 52 9.561 5.708 5.862 1.00 10.00 O ATOM 787 CB ALA A 52 7.007 3.833 6.914 1.00 10.00 C ATOM 0 H ALA A 52 8.385 5.202 8.481 1.00 10.00 H new ATOM 0 HA ALA A 52 8.879 2.781 6.905 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.653 3.349 6.004 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.622 3.298 7.783 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.654 4.864 6.937 1.00 10.00 H new ATOM 793 N SER A 53 9.029 3.951 4.565 1.00 10.00 N ATOM 794 CA SER A 53 9.279 4.565 3.269 1.00 10.00 C ATOM 795 C SER A 53 8.575 3.758 2.181 1.00 10.00 C ATOM 796 O SER A 53 8.109 2.639 2.411 1.00 10.00 O ATOM 797 CB SER A 53 10.779 4.700 2.979 1.00 10.00 C ATOM 798 OG SER A 53 11.365 5.684 3.807 1.00 10.00 O ATOM 0 H SER A 53 8.786 2.963 4.491 1.00 10.00 H new ATOM 0 HA SER A 53 8.874 5.577 3.282 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.273 3.742 3.141 1.00 10.00 H new ATOM 0 HB3 SER A 53 10.929 4.963 1.932 1.00 10.00 H new ATOM 0 HG SER A 53 10.789 5.843 4.584 1.00 10.00 H new ATOM 804 N VAL A 54 8.500 4.355 0.991 1.00 10.00 N ATOM 805 CA VAL A 54 7.785 3.812 -0.151 1.00 10.00 C ATOM 806 C VAL A 54 8.398 2.475 -0.575 1.00 10.00 C ATOM 807 O VAL A 54 7.683 1.497 -0.764 1.00 10.00 O ATOM 808 CB VAL A 54 7.674 4.871 -1.265 1.00 10.00 C ATOM 809 CG1 VAL A 54 9.015 5.428 -1.762 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.865 4.346 -2.455 1.00 10.00 C ATOM 0 H VAL A 54 8.947 5.251 0.796 1.00 10.00 H new ATOM 0 HA VAL A 54 6.755 3.577 0.117 1.00 10.00 H new ATOM 0 HB VAL A 54 7.153 5.704 -0.793 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.835 6.165 -2.544 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.543 5.900 -0.933 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.621 4.615 -2.162 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.806 5.117 -3.223 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.353 3.462 -2.865 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.860 4.085 -2.125 1.00 10.00 H new ATOM 820 N SER A 55 9.726 2.405 -0.674 1.00 10.00 N ATOM 821 CA SER A 55 10.445 1.169 -0.953 1.00 10.00 C ATOM 822 C SER A 55 10.086 0.047 0.033 1.00 10.00 C ATOM 823 O SER A 55 9.885 -1.099 -0.367 1.00 10.00 O ATOM 824 CB SER A 55 11.945 1.470 -0.924 1.00 10.00 C ATOM 825 OG SER A 55 12.210 2.538 -1.813 1.00 10.00 O ATOM 0 H SER A 55 10.336 3.215 -0.561 1.00 10.00 H new ATOM 0 HA SER A 55 10.153 0.805 -1.938 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.258 1.733 0.086 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.513 0.587 -1.214 1.00 10.00 H new ATOM 0 HG SER A 55 13.168 2.742 -1.803 1.00 10.00 H new ATOM 831 N ASP A 56 10.010 0.364 1.326 1.00 10.00 N ATOM 832 CA ASP A 56 9.856 -0.628 2.377 1.00 10.00 C ATOM 833 C ASP A 56 8.482 -1.256 2.227 1.00 10.00 C ATOM 834 O ASP A 56 8.326 -2.473 2.117 1.00 10.00 O ATOM 835 CB ASP A 56 10.011 0.047 3.746 1.00 10.00 C ATOM 836 CG ASP A 56 11.409 0.610 3.936 1.00 10.00 C ATOM 837 OD1 ASP A 56 11.784 1.462 3.100 1.00 10.00 O ATOM 838 OD2 ASP A 56 12.068 0.187 4.908 1.00 10.00 O ATOM 0 H ASP A 56 10.054 1.323 1.670 1.00 10.00 H new ATOM 0 HA ASP A 56 10.619 -1.403 2.300 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.279 0.849 3.842 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.798 -0.675 4.535 1.00 10.00 H new ATOM 843 N LEU A 57 7.466 -0.397 2.177 1.00 10.00 N ATOM 844 CA LEU A 57 6.112 -0.869 1.978 1.00 10.00 C ATOM 845 C LEU A 57 5.974 -1.574 0.625 1.00 10.00 C ATOM 846 O LEU A 57 5.253 -2.565 0.530 1.00 10.00 O ATOM 847 CB LEU A 57 5.109 0.251 2.256 1.00 10.00 C ATOM 848 CG LEU A 57 5.110 1.414 1.264 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.286 1.134 -0.002 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.561 2.665 1.959 1.00 10.00 C ATOM 0 H LEU A 57 7.559 0.614 2.271 1.00 10.00 H new ATOM 0 HA LEU A 57 5.868 -1.642 2.707 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.109 -0.181 2.277 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.306 0.649 3.252 1.00 10.00 H new ATOM 0 HG LEU A 57 6.141 1.560 0.943 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.329 2.000 -0.663 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.694 0.264 -0.517 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.250 0.940 0.274 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.559 3.499 1.258 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.543 2.475 2.300 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.190 2.912 2.814 1.00 10.00 H new ATOM 862 N LYS A 58 6.689 -1.122 -0.415 1.00 10.00 N ATOM 863 CA LYS A 58 6.741 -1.831 -1.689 1.00 10.00 C ATOM 864 C LYS A 58 7.109 -3.298 -1.427 1.00 10.00 C ATOM 865 O LYS A 58 6.439 -4.206 -1.920 1.00 10.00 O ATOM 866 CB LYS A 58 7.751 -1.161 -2.642 1.00 10.00 C ATOM 867 CG LYS A 58 7.479 -1.343 -4.135 1.00 10.00 C ATOM 868 CD LYS A 58 7.218 -2.807 -4.482 1.00 10.00 C ATOM 869 CE LYS A 58 7.596 -3.105 -5.937 1.00 10.00 C ATOM 870 NZ LYS A 58 7.166 -4.451 -6.352 1.00 10.00 N ATOM 0 H LYS A 58 7.240 -0.264 -0.392 1.00 10.00 H new ATOM 0 HA LYS A 58 5.765 -1.791 -2.173 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.774 -0.093 -2.424 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.744 -1.553 -2.422 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.618 -0.740 -4.425 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.331 -0.978 -4.708 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.792 -3.450 -3.815 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.165 -3.040 -4.321 1.00 10.00 H new ATOM 0 HE2 LYS A 58 7.140 -2.361 -6.590 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.676 -3.016 -6.057 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 7.675 -4.727 -7.216 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 7.376 -5.131 -5.594 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 6.143 -4.446 -6.540 1.00 10.00 H new ATOM 884 N GLU A 59 8.175 -3.534 -0.656 1.00 10.00 N ATOM 885 CA GLU A 59 8.608 -4.889 -0.353 1.00 10.00 C ATOM 886 C GLU A 59 7.462 -5.662 0.306 1.00 10.00 C ATOM 887 O GLU A 59 7.201 -6.809 -0.034 1.00 10.00 O ATOM 888 CB GLU A 59 9.861 -4.880 0.533 1.00 10.00 C ATOM 889 CG GLU A 59 10.604 -6.213 0.386 1.00 10.00 C ATOM 890 CD GLU A 59 11.636 -6.414 1.486 1.00 10.00 C ATOM 891 OE1 GLU A 59 12.776 -5.947 1.285 1.00 10.00 O ATOM 892 OE2 GLU A 59 11.256 -7.035 2.503 1.00 10.00 O ATOM 0 H GLU A 59 8.748 -2.803 -0.235 1.00 10.00 H new ATOM 0 HA GLU A 59 8.875 -5.392 -1.282 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.514 -4.055 0.249 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.581 -4.721 1.574 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.886 -7.033 0.408 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.098 -6.248 -0.585 1.00 10.00 H new ATOM 899 N ALA A 60 6.751 -5.012 1.229 1.00 10.00 N ATOM 900 CA ALA A 60 5.628 -5.595 1.953 1.00 10.00 C ATOM 901 C ALA A 60 4.491 -5.985 1.002 1.00 10.00 C ATOM 902 O ALA A 60 3.887 -7.045 1.165 1.00 10.00 O ATOM 903 CB ALA A 60 5.149 -4.635 3.045 1.00 10.00 C ATOM 0 H ALA A 60 6.946 -4.047 1.497 1.00 10.00 H new ATOM 0 HA ALA A 60 5.966 -6.513 2.433 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.310 -5.081 3.579 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.963 -4.443 3.744 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.832 -3.696 2.591 1.00 10.00 H new ATOM 909 N VAL A 61 4.197 -5.143 0.007 1.00 10.00 N ATOM 910 CA VAL A 61 3.255 -5.484 -1.054 1.00 10.00 C ATOM 911 C VAL A 61 3.734 -6.763 -1.741 1.00 10.00 C ATOM 912 O VAL A 61 3.006 -7.755 -1.799 1.00 10.00 O ATOM 913 CB VAL A 61 3.133 -4.338 -2.070 1.00 10.00 C ATOM 914 CG1 VAL A 61 2.226 -4.711 -3.253 1.00 10.00 C ATOM 915 CG2 VAL A 61 2.657 -3.033 -1.423 1.00 10.00 C ATOM 0 H VAL A 61 4.604 -4.212 -0.082 1.00 10.00 H new ATOM 0 HA VAL A 61 2.267 -5.645 -0.623 1.00 10.00 H new ATOM 0 HB VAL A 61 4.139 -4.170 -2.454 1.00 10.00 H new ATOM 0 HG11 VAL A 61 2.168 -3.872 -3.946 1.00 10.00 H new ATOM 0 HG12 VAL A 61 2.638 -5.579 -3.768 1.00 10.00 H new ATOM 0 HG13 VAL A 61 1.227 -4.947 -2.886 1.00 10.00 H new ATOM 0 HG21 VAL A 61 2.587 -2.255 -2.183 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.677 -3.187 -0.971 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.367 -2.728 -0.655 1.00 10.00 H new ATOM 925 N ASP A 62 4.968 -6.735 -2.253 1.00 10.00 N ATOM 926 CA ASP A 62 5.544 -7.866 -2.971 1.00 10.00 C ATOM 927 C ASP A 62 5.437 -9.135 -2.116 1.00 10.00 C ATOM 928 O ASP A 62 5.058 -10.198 -2.598 1.00 10.00 O ATOM 929 CB ASP A 62 6.997 -7.554 -3.369 1.00 10.00 C ATOM 930 CG ASP A 62 7.236 -7.832 -4.844 1.00 10.00 C ATOM 931 OD1 ASP A 62 7.413 -9.013 -5.200 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.230 -6.839 -5.608 1.00 10.00 O ATOM 0 H ASP A 62 5.590 -5.930 -2.180 1.00 10.00 H new ATOM 0 HA ASP A 62 4.986 -8.042 -3.891 1.00 10.00 H new ATOM 0 HB2 ASP A 62 7.219 -6.509 -3.153 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.678 -8.156 -2.768 1.00 10.00 H new ATOM 937 N LYS A 63 5.701 -8.988 -0.813 1.00 10.00 N ATOM 938 CA LYS A 63 5.605 -10.052 0.177 1.00 10.00 C ATOM 939 C LYS A 63 4.217 -10.708 0.202 1.00 10.00 C ATOM 940 O LYS A 63 4.112 -11.889 0.530 1.00 10.00 O ATOM 941 CB LYS A 63 5.978 -9.488 1.557 1.00 10.00 C ATOM 942 CG LYS A 63 6.594 -10.538 2.483 1.00 10.00 C ATOM 943 CD LYS A 63 7.011 -9.843 3.790 1.00 10.00 C ATOM 944 CE LYS A 63 7.463 -10.839 4.867 1.00 10.00 C ATOM 945 NZ LYS A 63 8.672 -11.587 4.467 1.00 10.00 N ATOM 0 H LYS A 63 5.995 -8.097 -0.412 1.00 10.00 H new ATOM 0 HA LYS A 63 6.305 -10.840 -0.099 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.682 -8.666 1.430 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.086 -9.074 2.028 1.00 10.00 H new ATOM 0 HG2 LYS A 63 5.876 -11.332 2.687 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.458 -11.004 2.008 1.00 10.00 H new ATOM 0 HD2 LYS A 63 7.821 -9.144 3.583 1.00 10.00 H new ATOM 0 HD3 LYS A 63 6.174 -9.258 4.170 1.00 10.00 H new ATOM 0 HE2 LYS A 63 7.661 -10.302 5.795 1.00 10.00 H new ATOM 0 HE3 LYS A 63 6.655 -11.541 5.071 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 8.939 -12.247 5.225 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 8.477 -12.121 3.596 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 9.452 -10.921 4.297 1.00 10.00 H new ATOM 959 N LEU A 64 3.151 -9.955 -0.097 1.00 10.00 N ATOM 960 CA LEU A 64 1.798 -10.497 -0.192 1.00 10.00 C ATOM 961 C LEU A 64 1.611 -11.229 -1.520 1.00 10.00 C ATOM 962 O LEU A 64 1.015 -12.304 -1.537 1.00 10.00 O ATOM 963 CB LEU A 64 0.754 -9.384 -0.038 1.00 10.00 C ATOM 964 CG LEU A 64 0.752 -8.787 1.379 1.00 10.00 C ATOM 965 CD1 LEU A 64 0.370 -7.303 1.373 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.210 -9.583 2.275 1.00 10.00 C ATOM 0 H LEU A 64 3.207 -8.953 -0.279 1.00 10.00 H new ATOM 0 HA LEU A 64 1.656 -11.210 0.620 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.955 -8.595 -0.763 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.235 -9.781 -0.265 1.00 10.00 H new ATOM 0 HG LEU A 64 1.765 -8.859 1.776 1.00 10.00 H new ATOM 0 HD11 LEU A 64 0.381 -6.920 2.394 1.00 10.00 H new ATOM 0 HD12 LEU A 64 1.086 -6.745 0.769 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -0.629 -7.186 0.952 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.209 -9.157 3.278 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.217 -9.534 1.861 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.113 -10.623 2.322 1.00 10.00 H new ATOM 978 N GLY A 65 2.103 -10.655 -2.625 1.00 10.00 N ATOM 979 CA GLY A 65 2.143 -11.334 -3.918 1.00 10.00 C ATOM 980 C GLY A 65 1.878 -10.383 -5.081 1.00 10.00 C ATOM 981 O GLY A 65 2.590 -10.394 -6.084 1.00 10.00 O ATOM 0 H GLY A 65 2.483 -9.709 -2.644 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.118 -11.802 -4.050 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.402 -12.133 -3.929 1.00 10.00 H new ATOM 985 N TYR A 66 0.821 -9.574 -4.963 1.00 10.00 N ATOM 986 CA TYR A 66 0.493 -8.557 -5.958 1.00 10.00 C ATOM 987 C TYR A 66 1.623 -7.525 -6.055 1.00 10.00 C ATOM 988 O TYR A 66 2.447 -7.404 -5.150 1.00 10.00 O ATOM 989 CB TYR A 66 -0.878 -7.918 -5.672 1.00 10.00 C ATOM 990 CG TYR A 66 -1.333 -7.952 -4.231 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.783 -7.057 -3.301 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.204 -8.969 -3.797 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.130 -7.154 -1.947 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.519 -9.088 -2.436 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.024 -8.151 -1.521 1.00 10.00 C ATOM 996 OH TYR A 66 -2.384 -8.250 -0.216 1.00 10.00 O ATOM 0 H TYR A 66 0.172 -9.608 -4.176 1.00 10.00 H new ATOM 0 HA TYR A 66 0.407 -9.033 -6.935 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.848 -6.879 -5.999 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.627 -8.423 -6.282 1.00 10.00 H new ATOM 0 HD1 TYR A 66 -0.093 -6.294 -3.629 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.630 -9.657 -4.512 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.711 -6.463 -1.231 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.142 -9.901 -2.094 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.261 -7.832 -0.086 1.00 10.00 H new ATOM 1006 N LYS A 67 1.677 -6.796 -7.173 1.00 10.00 N ATOM 1007 CA LYS A 67 2.690 -5.784 -7.432 1.00 10.00 C ATOM 1008 C LYS A 67 2.112 -4.407 -7.103 1.00 10.00 C ATOM 1009 O LYS A 67 0.895 -4.230 -7.112 1.00 10.00 O ATOM 1010 CB LYS A 67 3.159 -5.868 -8.899 1.00 10.00 C ATOM 1011 CG LYS A 67 4.670 -6.117 -9.005 1.00 10.00 C ATOM 1012 CD LYS A 67 5.076 -7.557 -8.637 1.00 10.00 C ATOM 1013 CE LYS A 67 5.323 -8.420 -9.884 1.00 10.00 C ATOM 1014 NZ LYS A 67 4.113 -8.568 -10.720 1.00 10.00 N ATOM 0 H LYS A 67 1.004 -6.899 -7.933 1.00 10.00 H new ATOM 0 HA LYS A 67 3.562 -5.954 -6.800 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.623 -6.670 -9.406 1.00 10.00 H new ATOM 0 HB3 LYS A 67 2.907 -4.941 -9.414 1.00 10.00 H new ATOM 0 HG2 LYS A 67 4.996 -5.904 -10.023 1.00 10.00 H new ATOM 0 HG3 LYS A 67 5.193 -5.420 -8.350 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.979 -7.535 -8.027 1.00 10.00 H new ATOM 0 HD3 LYS A 67 4.292 -8.011 -8.031 1.00 10.00 H new ATOM 0 HE2 LYS A 67 6.119 -7.973 -10.479 1.00 10.00 H new ATOM 0 HE3 LYS A 67 5.671 -9.406 -9.576 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 4.324 -9.186 -11.529 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 3.349 -8.988 -10.153 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 3.814 -7.634 -11.066 1.00 10.00 H new ATOM 1028 N LEU A 68 2.993 -3.439 -6.830 1.00 10.00 N ATOM 1029 CA LEU A 68 2.665 -2.051 -6.558 1.00 10.00 C ATOM 1030 C LEU A 68 3.752 -1.211 -7.213 1.00 10.00 C ATOM 1031 O LEU A 68 4.870 -1.707 -7.390 1.00 10.00 O ATOM 1032 CB LEU A 68 2.599 -1.815 -5.043 1.00 10.00 C ATOM 1033 CG LEU A 68 2.306 -0.381 -4.571 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.344 -0.370 -3.373 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.608 0.336 -4.179 1.00 10.00 C ATOM 0 H LEU A 68 3.996 -3.618 -6.793 1.00 10.00 H new ATOM 0 HA LEU A 68 1.689 -1.779 -6.960 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.831 -2.470 -4.631 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.550 -2.126 -4.610 1.00 10.00 H new ATOM 0 HG LEU A 68 1.836 0.143 -5.403 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.158 0.659 -3.065 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.402 -0.839 -3.658 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.788 -0.922 -2.545 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.380 1.349 -3.848 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.094 -0.209 -3.370 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.274 0.377 -5.041 1.00 10.00 H new ATOM 1047 N LYS A 69 3.428 0.036 -7.551 1.00 10.00 N ATOM 1048 CA LYS A 69 4.316 1.027 -8.147 1.00 10.00 C ATOM 1049 C LYS A 69 3.792 2.416 -7.787 1.00 10.00 C ATOM 1050 O LYS A 69 2.681 2.544 -7.289 1.00 10.00 O ATOM 1051 CB LYS A 69 4.374 0.877 -9.678 1.00 10.00 C ATOM 1052 CG LYS A 69 5.276 -0.272 -10.157 1.00 10.00 C ATOM 1053 CD LYS A 69 6.216 0.184 -11.282 1.00 10.00 C ATOM 1054 CE LYS A 69 7.386 1.009 -10.713 1.00 10.00 C ATOM 1055 NZ LYS A 69 8.180 1.666 -11.772 1.00 10.00 N ATOM 0 H LYS A 69 2.486 0.400 -7.407 1.00 10.00 H new ATOM 0 HA LYS A 69 5.325 0.881 -7.761 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.365 0.715 -10.056 1.00 10.00 H new ATOM 0 HB3 LYS A 69 4.731 1.811 -10.112 1.00 10.00 H new ATOM 0 HG2 LYS A 69 5.864 -0.648 -9.320 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.659 -1.098 -10.509 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.602 -0.685 -11.814 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.662 0.781 -12.006 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.996 1.766 -10.033 1.00 10.00 H new ATOM 0 HE3 LYS A 69 8.035 0.358 -10.127 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.955 2.208 -11.339 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.576 0.944 -12.408 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.569 2.309 -12.316 1.00 10.00 H new ATOM 1069 N LEU A 70 4.597 3.450 -8.030 1.00 10.00 N ATOM 1070 CA LEU A 70 4.266 4.832 -7.705 1.00 10.00 C ATOM 1071 C LEU A 70 3.130 5.376 -8.570 1.00 10.00 C ATOM 1072 O LEU A 70 2.949 4.952 -9.711 1.00 10.00 O ATOM 1073 CB LEU A 70 5.544 5.687 -7.745 1.00 10.00 C ATOM 1074 CG LEU A 70 5.382 7.219 -7.788 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.642 7.873 -7.213 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.196 7.745 -9.221 1.00 10.00 C ATOM 0 H LEU A 70 5.513 3.346 -8.466 1.00 10.00 H new ATOM 0 HA LEU A 70 3.874 4.877 -6.689 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.141 5.438 -6.868 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.121 5.386 -8.620 1.00 10.00 H new ATOM 0 HG LEU A 70 4.494 7.467 -7.206 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.534 8.957 -7.240 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.782 7.548 -6.182 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.508 7.579 -7.807 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.086 8.829 -9.199 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.066 7.480 -9.822 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.303 7.299 -9.659 1.00 10.00 H new ATOM 1088 N LYS A 71 2.386 6.332 -8.006 1.00 10.00 N ATOM 1089 CA LYS A 71 1.327 7.083 -8.661 1.00 10.00 C ATOM 1090 C LYS A 71 1.397 8.574 -8.274 1.00 10.00 C ATOM 1091 O LYS A 71 2.492 9.094 -8.060 1.00 10.00 O ATOM 1092 CB LYS A 71 -0.022 6.415 -8.359 1.00 10.00 C ATOM 1093 CG LYS A 71 -1.007 6.583 -9.520 1.00 10.00 C ATOM 1094 CD LYS A 71 -0.788 5.435 -10.503 1.00 10.00 C ATOM 1095 CE LYS A 71 -1.465 5.673 -11.855 1.00 10.00 C ATOM 1096 NZ LYS A 71 -1.179 4.565 -12.790 1.00 10.00 N ATOM 0 H LYS A 71 2.517 6.612 -7.034 1.00 10.00 H new ATOM 0 HA LYS A 71 1.454 7.064 -9.743 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.133 5.354 -8.163 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.448 6.848 -7.454 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.033 6.577 -9.152 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.851 7.542 -10.015 1.00 10.00 H new ATOM 0 HD2 LYS A 71 0.282 5.294 -10.658 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.171 4.512 -10.068 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.542 5.768 -11.715 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -1.115 6.613 -12.281 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -1.648 4.749 -13.700 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -0.152 4.492 -12.939 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -1.535 3.673 -12.391 1.00 10.00 H new ATOM 1110 N GLY A 72 0.263 9.278 -8.226 1.00 10.00 N ATOM 1111 CA GLY A 72 0.195 10.725 -8.090 1.00 10.00 C ATOM 1112 C GLY A 72 0.176 11.116 -6.618 1.00 10.00 C ATOM 1113 O GLY A 72 -0.885 11.256 -6.015 1.00 10.00 O ATOM 0 H GLY A 72 -0.656 8.839 -8.283 1.00 10.00 H new ATOM 0 HA2 GLY A 72 1.051 11.184 -8.585 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -0.700 11.102 -8.585 1.00 10.00 H new ATOM 1117 N GLU A 73 1.360 11.262 -6.019 1.00 10.00 N ATOM 1118 CA GLU A 73 1.485 11.693 -4.636 1.00 10.00 C ATOM 1119 C GLU A 73 0.655 12.963 -4.362 1.00 10.00 C ATOM 1120 O GLU A 73 0.631 13.884 -5.176 1.00 10.00 O ATOM 1121 CB GLU A 73 2.973 11.815 -4.267 1.00 10.00 C ATOM 1122 CG GLU A 73 3.750 12.815 -5.136 1.00 10.00 C ATOM 1123 CD GLU A 73 5.254 12.650 -4.956 1.00 10.00 C ATOM 1124 OE1 GLU A 73 5.773 11.634 -5.470 1.00 10.00 O ATOM 1125 OE2 GLU A 73 5.853 13.533 -4.308 1.00 10.00 O ATOM 0 H GLU A 73 2.252 11.084 -6.481 1.00 10.00 H new ATOM 0 HA GLU A 73 1.059 10.940 -3.973 1.00 10.00 H new ATOM 0 HB2 GLU A 73 3.055 12.116 -3.223 1.00 10.00 H new ATOM 0 HB3 GLU A 73 3.440 10.834 -4.353 1.00 10.00 H new ATOM 0 HG2 GLU A 73 3.489 12.670 -6.184 1.00 10.00 H new ATOM 0 HG3 GLU A 73 3.459 13.832 -4.873 1.00 10.00 H new ATOM 1132 N GLN A 74 -0.039 12.984 -3.217 1.00 10.00 N ATOM 1133 CA GLN A 74 -1.041 13.969 -2.822 1.00 10.00 C ATOM 1134 C GLN A 74 -2.285 14.029 -3.730 1.00 10.00 C ATOM 1135 O GLN A 74 -2.277 14.650 -4.789 1.00 10.00 O ATOM 1136 CB GLN A 74 -0.425 15.360 -2.581 1.00 10.00 C ATOM 1137 CG GLN A 74 -0.346 15.662 -1.080 1.00 10.00 C ATOM 1138 CD GLN A 74 0.005 17.122 -0.822 1.00 10.00 C ATOM 1139 OE1 GLN A 74 1.169 17.480 -0.693 1.00 10.00 O ATOM 1140 NE2 GLN A 74 -1.006 17.982 -0.714 1.00 10.00 N ATOM 0 H GLN A 74 0.096 12.269 -2.502 1.00 10.00 H new ATOM 0 HA GLN A 74 -1.420 13.606 -1.867 1.00 10.00 H new ATOM 0 HB2 GLN A 74 0.572 15.403 -3.019 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -1.025 16.121 -3.080 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -1.301 15.428 -0.610 1.00 10.00 H new ATOM 0 HG3 GLN A 74 0.403 15.019 -0.617 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -1.966 17.657 -0.826 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -0.820 18.966 -0.519 1.00 10.00 H new ATOM 1149 N ASP A 75 -3.405 13.503 -3.219 1.00 10.00 N ATOM 1150 CA ASP A 75 -4.743 13.681 -3.747 1.00 10.00 C ATOM 1151 C ASP A 75 -5.362 14.822 -2.949 1.00 10.00 C ATOM 1152 O ASP A 75 -5.853 14.635 -1.835 1.00 10.00 O ATOM 1153 CB ASP A 75 -5.572 12.400 -3.591 1.00 10.00 C ATOM 1154 CG ASP A 75 -7.037 12.643 -3.952 1.00 10.00 C ATOM 1155 OD1 ASP A 75 -7.298 13.639 -4.665 1.00 10.00 O ATOM 1156 OD2 ASP A 75 -7.874 11.838 -3.491 1.00 10.00 O ATOM 0 H ASP A 75 -3.391 12.915 -2.386 1.00 10.00 H new ATOM 0 HA ASP A 75 -4.718 13.906 -4.813 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -5.162 11.618 -4.230 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -5.502 12.041 -2.564 1.00 10.00 H new ATOM 1161 N SER A 76 -5.232 16.025 -3.494 1.00 10.00 N ATOM 1162 CA SER A 76 -5.893 17.222 -2.983 1.00 10.00 C ATOM 1163 C SER A 76 -6.625 17.983 -4.094 1.00 10.00 C ATOM 1164 O SER A 76 -7.795 18.323 -3.928 1.00 10.00 O ATOM 1165 CB SER A 76 -4.880 18.100 -2.238 1.00 10.00 C ATOM 1166 OG SER A 76 -5.527 18.994 -1.351 1.00 10.00 O ATOM 0 H SER A 76 -4.655 16.201 -4.317 1.00 10.00 H new ATOM 0 HA SER A 76 -6.661 16.921 -2.271 1.00 10.00 H new ATOM 0 HB2 SER A 76 -4.189 17.468 -1.680 1.00 10.00 H new ATOM 0 HB3 SER A 76 -4.286 18.664 -2.957 1.00 10.00 H new ATOM 0 HG SER A 76 -4.856 19.539 -0.889 1.00 10.00 H new ATOM 1172 N ILE A 77 -5.936 18.300 -5.196 1.00 10.00 N ATOM 1173 CA ILE A 77 -6.483 19.082 -6.304 1.00 10.00 C ATOM 1174 C ILE A 77 -5.864 18.614 -7.627 1.00 10.00 C ATOM 1175 O ILE A 77 -5.345 19.420 -8.398 1.00 10.00 O ATOM 1176 CB ILE A 77 -6.285 20.601 -6.064 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -4.837 20.939 -5.654 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -7.279 21.146 -5.027 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -4.550 22.443 -5.690 1.00 10.00 C ATOM 0 H ILE A 77 -4.968 18.015 -5.343 1.00 10.00 H new ATOM 0 HA ILE A 77 -7.559 18.916 -6.363 1.00 10.00 H new ATOM 0 HB ILE A 77 -6.484 21.093 -7.016 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -4.651 20.561 -4.649 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -4.145 20.425 -6.321 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -7.109 22.213 -4.886 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -8.298 20.984 -5.379 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -7.137 20.627 -4.079 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -3.517 22.624 -5.393 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -4.708 22.819 -6.701 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -5.221 22.958 -5.002 1.00 10.00 H new ATOM 1191 N GLU A 78 -5.904 17.304 -7.890 1.00 10.00 N ATOM 1192 CA GLU A 78 -5.422 16.755 -9.153 1.00 10.00 C ATOM 1193 C GLU A 78 -6.433 17.051 -10.273 1.00 10.00 C ATOM 1194 O GLU A 78 -7.580 17.405 -9.996 1.00 10.00 O ATOM 1195 CB GLU A 78 -5.094 15.265 -8.979 1.00 10.00 C ATOM 1196 CG GLU A 78 -4.202 14.740 -10.112 1.00 10.00 C ATOM 1197 CD GLU A 78 -3.587 13.394 -9.756 1.00 10.00 C ATOM 1198 OE1 GLU A 78 -4.379 12.438 -9.617 1.00 10.00 O ATOM 1199 OE2 GLU A 78 -2.345 13.357 -9.625 1.00 10.00 O ATOM 0 H GLU A 78 -6.267 16.606 -7.241 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.492 17.237 -9.454 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.594 15.113 -8.023 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.020 14.690 -8.950 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.790 14.643 -11.025 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -3.410 15.461 -10.318 1.00 10.00 H new ATOM 1206 N GLY A 79 -6.000 16.963 -11.537 1.00 10.00 N ATOM 1207 CA GLY A 79 -6.726 17.486 -12.690 1.00 10.00 C ATOM 1208 C GLY A 79 -6.877 16.450 -13.801 1.00 10.00 C ATOM 1209 O GLY A 79 -6.459 16.700 -14.930 1.00 10.00 O ATOM 0 H GLY A 79 -5.117 16.517 -11.786 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -7.713 17.821 -12.373 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -6.203 18.359 -13.080 1.00 10.00 H new ATOM 1213 N ARG A 80 -7.531 15.330 -13.474 1.00 10.00 N ATOM 1214 CA ARG A 80 -7.580 14.108 -14.271 1.00 10.00 C ATOM 1215 C ARG A 80 -6.221 13.405 -14.280 1.00 10.00 C ATOM 1216 O ARG A 80 -5.279 13.951 -13.667 1.00 10.00 O ATOM 1217 CB ARG A 80 -8.059 14.326 -15.715 1.00 10.00 C ATOM 1218 CG ARG A 80 -9.342 15.148 -15.867 1.00 10.00 C ATOM 1219 CD ARG A 80 -9.864 14.939 -17.296 1.00 10.00 C ATOM 1220 NE ARG A 80 -10.977 15.842 -17.621 1.00 10.00 N ATOM 1221 CZ ARG A 80 -11.714 15.761 -18.741 1.00 10.00 C ATOM 1222 NH1 ARG A 80 -11.491 14.771 -19.614 1.00 10.00 N ATOM 1223 NH2 ARG A 80 -12.666 16.667 -18.988 1.00 10.00 N ATOM 1224 OXT ARG A 80 -6.156 12.334 -14.923 1.00 10.00 O ATOM 0 H ARG A 80 -8.063 15.251 -12.607 1.00 10.00 H new ATOM 0 HA ARG A 80 -8.323 13.476 -13.785 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -7.263 14.820 -16.272 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -8.215 13.352 -16.178 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -10.088 14.832 -15.137 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -9.144 16.204 -15.683 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -9.051 15.098 -18.004 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -10.191 13.906 -17.413 1.00 10.00 H new ATOM 0 HE ARG A 80 -11.205 16.578 -16.953 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -10.763 14.081 -19.428 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -12.049 14.707 -20.465 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -12.835 17.423 -18.325 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -13.223 16.602 -19.840 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -7.795 -11.816 -3.260 1.00 10.00 CU