USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=16 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -33:sc= 1.26 USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 1.16 (180deg=0.95) USER MOD Single : A 12 MET CE :methyl -158:sc= -0.697 (180deg=-2.17) USER MOD Single : A 13 THR OG1 : rot 42:sc= 0.536 USER MOD Single : A 19 ASN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0175) USER MOD Single : A 26 ASN : amide:sc= 0.389 X(o=0.39,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.15 K(o=1.1,f=-0.16) USER MOD Single : A 37 ASN : amide:sc= -2.01 K(o=-2,f=0.035) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -134:sc= 1.32 USER MOD Single : A 47 TYR OH : rot 180:sc= 0.0244 USER MOD Single : A 48 ASN : amide:sc= 0.221 K(o=0.22,f=-4.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 85:sc= 1.23 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 1.02 (180deg=0.887) USER MOD Single : A 63 LYS NZ :NH3+ 155:sc= 1.23 (180deg=0.94) USER MOD Single : A 66 TYR OH : rot 144:sc= -1.17! USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= -0.159 (180deg=-0.223) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.1) 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 5.980 16.383 7.418 1.00 10.00 N ATOM 2 CA MET A 1 5.412 15.886 8.687 1.00 10.00 C ATOM 3 C MET A 1 4.154 15.090 8.358 1.00 10.00 C ATOM 4 O MET A 1 3.062 15.646 8.383 1.00 10.00 O ATOM 5 CB MET A 1 5.078 17.036 9.651 1.00 10.00 C ATOM 6 CG MET A 1 6.281 17.631 10.389 1.00 10.00 C ATOM 7 SD MET A 1 5.787 18.894 11.591 1.00 10.00 S ATOM 8 CE MET A 1 7.371 19.260 12.376 1.00 10.00 C ATOM 0 H1 MET A 1 6.842 16.931 7.614 1.00 10.00 H new ATOM 0 H2 MET A 1 6.215 15.577 6.804 1.00 10.00 H new ATOM 0 H3 MET A 1 5.284 16.991 6.941 1.00 10.00 H new ATOM 0 HA MET A 1 6.148 15.257 9.188 1.00 10.00 H new ATOM 0 HB2 MET A 1 4.586 17.830 9.089 1.00 10.00 H new ATOM 0 HB3 MET A 1 4.360 16.676 10.388 1.00 10.00 H new ATOM 0 HG2 MET A 1 6.821 16.835 10.902 1.00 10.00 H new ATOM 0 HG3 MET A 1 6.969 18.069 9.666 1.00 10.00 H new ATOM 0 HE1 MET A 1 7.230 20.023 13.142 1.00 10.00 H new ATOM 0 HE2 MET A 1 7.768 18.354 12.835 1.00 10.00 H new ATOM 0 HE3 MET A 1 8.073 19.624 11.626 1.00 10.00 H new ATOM 20 N THR A 2 4.337 13.820 7.989 1.00 10.00 N ATOM 21 CA THR A 2 3.365 13.009 7.261 1.00 10.00 C ATOM 22 C THR A 2 3.099 13.595 5.865 1.00 10.00 C ATOM 23 O THR A 2 3.287 14.795 5.652 1.00 10.00 O ATOM 24 CB THR A 2 2.084 12.703 8.063 1.00 10.00 C ATOM 25 OG1 THR A 2 1.163 13.772 8.058 1.00 10.00 O ATOM 26 CG2 THR A 2 2.368 12.295 9.512 1.00 10.00 C ATOM 0 H THR A 2 5.197 13.313 8.197 1.00 10.00 H new ATOM 0 HA THR A 2 3.815 12.027 7.114 1.00 10.00 H new ATOM 0 HB THR A 2 1.637 11.855 7.544 1.00 10.00 H new ATOM 0 HG1 THR A 2 1.649 14.623 8.042 1.00 10.00 H new ATOM 0 HG21 THR A 2 1.427 12.093 10.024 1.00 10.00 H new ATOM 0 HG22 THR A 2 2.987 11.398 9.523 1.00 10.00 H new ATOM 0 HG23 THR A 2 2.892 13.104 10.022 1.00 10.00 H new ATOM 34 N GLU A 3 2.703 12.755 4.907 1.00 10.00 N ATOM 35 CA GLU A 3 2.358 13.149 3.563 1.00 10.00 C ATOM 36 C GLU A 3 1.537 12.026 2.943 1.00 10.00 C ATOM 37 O GLU A 3 1.512 10.904 3.452 1.00 10.00 O ATOM 38 CB GLU A 3 3.622 13.459 2.752 1.00 10.00 C ATOM 39 CG GLU A 3 4.571 12.254 2.655 1.00 10.00 C ATOM 40 CD GLU A 3 6.025 12.709 2.631 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.410 13.411 3.595 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.730 12.327 1.675 1.00 10.00 O ATOM 0 H GLU A 3 2.615 11.751 5.063 1.00 10.00 H new ATOM 0 HA GLU A 3 1.765 14.063 3.568 1.00 10.00 H new ATOM 0 HB2 GLU A 3 3.337 13.774 1.748 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.148 14.296 3.212 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.408 11.588 3.502 1.00 10.00 H new ATOM 0 HG3 GLU A 3 4.349 11.683 1.753 1.00 10.00 H new ATOM 49 N LYS A 4 0.873 12.379 1.848 1.00 10.00 N ATOM 50 CA LYS A 4 0.038 11.520 1.029 1.00 10.00 C ATOM 51 C LYS A 4 0.873 11.017 -0.142 1.00 10.00 C ATOM 52 O LYS A 4 1.376 11.804 -0.943 1.00 10.00 O ATOM 53 CB LYS A 4 -1.145 12.312 0.483 1.00 10.00 C ATOM 54 CG LYS A 4 -2.100 12.778 1.588 1.00 10.00 C ATOM 55 CD LYS A 4 -3.027 13.879 1.051 1.00 10.00 C ATOM 56 CE LYS A 4 -4.427 13.799 1.670 1.00 10.00 C ATOM 57 NZ LYS A 4 -4.396 13.864 3.144 1.00 10.00 N ATOM 0 H LYS A 4 0.908 13.333 1.490 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.332 10.688 1.628 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -0.776 13.180 -0.063 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.693 11.696 -0.230 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.692 11.936 1.948 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.530 13.153 2.438 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -2.592 14.856 1.263 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.104 13.792 -0.033 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -5.038 14.616 1.286 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -4.906 12.870 1.360 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -5.355 14.045 3.504 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -4.048 12.961 3.524 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -3.763 14.633 3.444 1.00 10.00 H new ATOM 71 N ALA A 5 0.987 9.701 -0.236 1.00 10.00 N ATOM 72 CA ALA A 5 1.664 8.988 -1.303 1.00 10.00 C ATOM 73 C ALA A 5 0.626 8.083 -1.949 1.00 10.00 C ATOM 74 O ALA A 5 -0.232 7.559 -1.242 1.00 10.00 O ATOM 75 CB ALA A 5 2.812 8.177 -0.705 1.00 10.00 C ATOM 0 H ALA A 5 0.591 9.074 0.464 1.00 10.00 H new ATOM 0 HA ALA A 5 2.086 9.662 -2.049 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.328 7.637 -1.499 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.512 8.849 -0.209 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.416 7.466 0.020 1.00 10.00 H new ATOM 81 N GLU A 6 0.673 7.912 -3.270 1.00 10.00 N ATOM 82 CA GLU A 6 -0.326 7.147 -3.988 1.00 10.00 C ATOM 83 C GLU A 6 0.434 6.136 -4.805 1.00 10.00 C ATOM 84 O GLU A 6 1.461 6.486 -5.394 1.00 10.00 O ATOM 85 CB GLU A 6 -1.147 8.073 -4.873 1.00 10.00 C ATOM 86 CG GLU A 6 -2.336 7.397 -5.561 1.00 10.00 C ATOM 87 CD GLU A 6 -2.795 8.150 -6.810 1.00 10.00 C ATOM 88 OE1 GLU A 6 -2.613 9.384 -6.841 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.263 7.464 -7.746 1.00 10.00 O ATOM 0 H GLU A 6 1.405 8.302 -3.864 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.026 6.650 -3.316 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.515 8.902 -4.269 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.495 8.500 -5.636 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.062 6.378 -5.835 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.166 7.326 -4.858 1.00 10.00 H new ATOM 96 N PHE A 7 -0.060 4.903 -4.805 1.00 10.00 N ATOM 97 CA PHE A 7 0.544 3.774 -5.458 1.00 10.00 C ATOM 98 C PHE A 7 -0.503 3.018 -6.254 1.00 10.00 C ATOM 99 O PHE A 7 -1.655 2.908 -5.839 1.00 10.00 O ATOM 100 CB PHE A 7 1.145 2.837 -4.422 1.00 10.00 C ATOM 101 CG PHE A 7 1.923 3.487 -3.303 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.875 4.473 -3.593 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.767 3.042 -1.982 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.572 5.112 -2.563 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.528 3.625 -0.961 1.00 10.00 C ATOM 106 CZ PHE A 7 3.398 4.692 -1.237 1.00 10.00 C ATOM 0 H PHE A 7 -0.929 4.665 -4.327 1.00 10.00 H new ATOM 0 HA PHE A 7 1.326 4.134 -6.126 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.338 2.251 -3.982 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.804 2.137 -4.935 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.072 4.742 -4.620 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.064 2.254 -1.754 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.243 5.928 -2.789 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.445 3.250 0.048 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.928 5.184 -0.435 1.00 10.00 H new ATOM 116 N ASP A 8 -0.040 2.465 -7.363 1.00 10.00 N ATOM 117 CA ASP A 8 -0.767 1.735 -8.374 1.00 10.00 C ATOM 118 C ASP A 8 -0.489 0.279 -8.060 1.00 10.00 C ATOM 119 O ASP A 8 0.667 -0.052 -7.776 1.00 10.00 O ATOM 120 CB ASP A 8 -0.161 2.197 -9.700 1.00 10.00 C ATOM 121 CG ASP A 8 -0.504 1.394 -10.939 1.00 10.00 C ATOM 122 OD1 ASP A 8 -0.220 0.182 -10.940 1.00 10.00 O ATOM 123 OD2 ASP A 8 -0.943 2.062 -11.907 1.00 10.00 O ATOM 0 H ASP A 8 0.952 2.525 -7.595 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.846 1.887 -8.414 1.00 10.00 H new ATOM 0 HB2 ASP A 8 -0.470 3.228 -9.871 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.924 2.203 -9.591 1.00 10.00 H new ATOM 128 N ILE A 9 -1.540 -0.540 -7.985 1.00 10.00 N ATOM 129 CA ILE A 9 -1.410 -1.965 -7.687 1.00 10.00 C ATOM 130 C ILE A 9 -1.880 -2.761 -8.899 1.00 10.00 C ATOM 131 O ILE A 9 -2.833 -2.355 -9.554 1.00 10.00 O ATOM 132 CB ILE A 9 -2.172 -2.370 -6.407 1.00 10.00 C ATOM 133 CG1 ILE A 9 -1.949 -1.384 -5.255 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.683 -3.726 -5.896 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.099 -0.395 -5.190 1.00 10.00 C ATOM 0 H ILE A 9 -2.502 -0.234 -8.129 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.362 -2.189 -7.487 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.225 -2.391 -6.689 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -1.870 -1.925 -4.312 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.008 -0.852 -5.397 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.232 -3.994 -4.993 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.850 -4.485 -6.661 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.618 -3.667 -5.669 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.933 0.302 -4.369 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.158 0.157 -6.128 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -4.033 -0.933 -5.026 1.00 10.00 H new ATOM 147 N GLU A 10 -1.224 -3.894 -9.173 1.00 10.00 N ATOM 148 CA GLU A 10 -1.649 -4.836 -10.198 1.00 10.00 C ATOM 149 C GLU A 10 -2.006 -6.170 -9.553 1.00 10.00 C ATOM 150 O GLU A 10 -1.149 -6.821 -8.947 1.00 10.00 O ATOM 151 CB GLU A 10 -0.523 -5.084 -11.200 1.00 10.00 C ATOM 152 CG GLU A 10 -0.191 -3.860 -12.062 1.00 10.00 C ATOM 153 CD GLU A 10 0.948 -4.148 -13.038 1.00 10.00 C ATOM 154 OE1 GLU A 10 2.088 -4.342 -12.554 1.00 10.00 O ATOM 155 OE2 GLU A 10 0.668 -4.176 -14.256 1.00 10.00 O ATOM 0 H GLU A 10 -0.377 -4.179 -8.682 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.513 -4.412 -10.710 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.372 -5.392 -10.660 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.803 -5.912 -11.851 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -1.078 -3.555 -12.618 1.00 10.00 H new ATOM 0 HG3 GLU A 10 0.084 -3.025 -11.418 1.00 10.00 H new ATOM 162 N GLY A 11 -3.247 -6.602 -9.760 1.00 10.00 N ATOM 163 CA GLY A 11 -3.704 -7.971 -9.579 1.00 10.00 C ATOM 164 C GLY A 11 -5.095 -8.006 -8.957 1.00 10.00 C ATOM 165 O GLY A 11 -6.042 -8.460 -9.596 1.00 10.00 O ATOM 0 H GLY A 11 -3.991 -5.978 -10.072 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.719 -8.483 -10.541 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -3.003 -8.511 -8.942 1.00 10.00 H new ATOM 169 N MET A 12 -5.172 -7.560 -7.699 1.00 10.00 N ATOM 170 CA MET A 12 -6.362 -7.445 -6.856 1.00 10.00 C ATOM 171 C MET A 12 -7.488 -8.410 -7.244 1.00 10.00 C ATOM 172 O MET A 12 -8.579 -8.009 -7.642 1.00 10.00 O ATOM 173 CB MET A 12 -6.826 -5.985 -6.800 1.00 10.00 C ATOM 174 CG MET A 12 -5.634 -5.022 -6.744 1.00 10.00 C ATOM 175 SD MET A 12 -6.007 -3.405 -6.034 1.00 10.00 S ATOM 176 CE MET A 12 -5.777 -3.867 -4.313 1.00 10.00 C ATOM 0 H MET A 12 -4.336 -7.246 -7.207 1.00 10.00 H new ATOM 0 HA MET A 12 -6.078 -7.755 -5.850 1.00 10.00 H new ATOM 0 HB2 MET A 12 -7.436 -5.761 -7.675 1.00 10.00 H new ATOM 0 HB3 MET A 12 -7.458 -5.836 -5.925 1.00 10.00 H new ATOM 0 HG2 MET A 12 -4.837 -5.485 -6.162 1.00 10.00 H new ATOM 0 HG3 MET A 12 -5.250 -4.881 -7.754 1.00 10.00 H new ATOM 0 HE1 MET A 12 -6.315 -3.168 -3.673 1.00 10.00 H new ATOM 0 HE2 MET A 12 -6.160 -4.875 -4.152 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.715 -3.839 -4.068 1.00 10.00 H new ATOM 186 N THR A 13 -7.217 -9.705 -7.106 1.00 10.00 N ATOM 187 CA THR A 13 -8.088 -10.766 -7.569 1.00 10.00 C ATOM 188 C THR A 13 -9.317 -10.896 -6.675 1.00 10.00 C ATOM 189 O THR A 13 -10.328 -11.455 -7.100 1.00 10.00 O ATOM 190 CB THR A 13 -7.270 -12.064 -7.619 1.00 10.00 C ATOM 191 OG1 THR A 13 -6.315 -12.078 -6.573 1.00 10.00 O ATOM 192 CG2 THR A 13 -6.504 -12.134 -8.942 1.00 10.00 C ATOM 0 H THR A 13 -6.366 -10.047 -6.659 1.00 10.00 H new ATOM 0 HA THR A 13 -8.463 -10.539 -8.567 1.00 10.00 H new ATOM 0 HB THR A 13 -7.955 -12.906 -7.519 1.00 10.00 H new ATOM 0 HG1 THR A 13 -6.725 -11.736 -5.751 1.00 10.00 H new ATOM 0 HG21 THR A 13 -5.923 -13.056 -8.978 1.00 10.00 H new ATOM 0 HG22 THR A 13 -7.210 -12.118 -9.772 1.00 10.00 H new ATOM 0 HG23 THR A 13 -5.833 -11.279 -9.019 1.00 10.00 H new ATOM 200 N CYS A 14 -9.230 -10.388 -5.443 1.00 10.00 N ATOM 201 CA CYS A 14 -10.279 -10.480 -4.457 1.00 10.00 C ATOM 202 C CYS A 14 -10.254 -9.231 -3.579 1.00 10.00 C ATOM 203 O CYS A 14 -9.198 -8.652 -3.345 1.00 10.00 O ATOM 204 CB CYS A 14 -10.097 -11.786 -3.669 1.00 10.00 C ATOM 205 SG CYS A 14 -8.384 -12.365 -3.455 1.00 10.00 S ATOM 0 H CYS A 14 -8.404 -9.892 -5.108 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.265 -10.516 -4.920 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -10.540 -11.655 -2.682 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.663 -12.570 -4.171 1.00 10.00 H new ATOM 210 N ALA A 15 -11.412 -8.807 -3.069 1.00 10.00 N ATOM 211 CA ALA A 15 -11.477 -7.660 -2.167 1.00 10.00 C ATOM 212 C ALA A 15 -10.539 -7.864 -0.973 1.00 10.00 C ATOM 213 O ALA A 15 -9.897 -6.928 -0.501 1.00 10.00 O ATOM 214 CB ALA A 15 -12.921 -7.432 -1.718 1.00 10.00 C ATOM 0 H ALA A 15 -12.314 -9.241 -3.266 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.143 -6.767 -2.696 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.962 -6.575 -1.046 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.547 -7.240 -2.589 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.285 -8.319 -1.199 1.00 10.00 H new ATOM 220 N ALA A 16 -10.427 -9.114 -0.517 1.00 10.00 N ATOM 221 CA ALA A 16 -9.465 -9.524 0.491 1.00 10.00 C ATOM 222 C ALA A 16 -8.040 -9.085 0.136 1.00 10.00 C ATOM 223 O ALA A 16 -7.317 -8.628 1.018 1.00 10.00 O ATOM 224 CB ALA A 16 -9.538 -11.042 0.677 1.00 10.00 C ATOM 0 H ALA A 16 -11.016 -9.878 -0.848 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.721 -9.031 1.429 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -8.816 -11.351 1.433 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.542 -11.321 0.997 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.308 -11.536 -0.267 1.00 10.00 H new ATOM 230 N CYS A 17 -7.633 -9.216 -1.133 1.00 10.00 N ATOM 231 CA CYS A 17 -6.307 -8.830 -1.598 1.00 10.00 C ATOM 232 C CYS A 17 -6.084 -7.354 -1.318 1.00 10.00 C ATOM 233 O CYS A 17 -5.066 -6.972 -0.746 1.00 10.00 O ATOM 234 CB CYS A 17 -6.174 -9.137 -3.093 1.00 10.00 C ATOM 235 SG CYS A 17 -6.436 -10.890 -3.448 1.00 10.00 S ATOM 0 H CYS A 17 -8.227 -9.598 -1.869 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.546 -9.400 -1.066 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -6.896 -8.542 -3.651 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.183 -8.841 -3.437 1.00 10.00 H new ATOM 240 N ALA A 18 -7.061 -6.530 -1.690 1.00 10.00 N ATOM 241 CA ALA A 18 -7.020 -5.111 -1.393 1.00 10.00 C ATOM 242 C ALA A 18 -6.952 -4.894 0.114 1.00 10.00 C ATOM 243 O ALA A 18 -6.047 -4.229 0.604 1.00 10.00 O ATOM 244 CB ALA A 18 -8.218 -4.410 -2.031 1.00 10.00 C ATOM 0 H ALA A 18 -7.892 -6.828 -2.200 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.121 -4.669 -1.822 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.180 -3.345 -1.803 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.189 -4.551 -3.111 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.141 -4.833 -1.634 1.00 10.00 H new ATOM 250 N ASN A 19 -7.871 -5.483 0.877 1.00 10.00 N ATOM 251 CA ASN A 19 -7.898 -5.283 2.322 1.00 10.00 C ATOM 252 C ASN A 19 -6.572 -5.698 2.982 1.00 10.00 C ATOM 253 O ASN A 19 -6.183 -5.144 4.012 1.00 10.00 O ATOM 254 CB ASN A 19 -9.091 -6.027 2.933 1.00 10.00 C ATOM 255 CG ASN A 19 -9.641 -5.310 4.164 1.00 10.00 C ATOM 256 OD1 ASN A 19 -10.842 -5.083 4.262 1.00 10.00 O ATOM 257 ND2 ASN A 19 -8.788 -4.937 5.115 1.00 10.00 N ATOM 0 H ASN A 19 -8.602 -6.099 0.520 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.020 -4.217 2.516 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.880 -6.123 2.187 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.787 -7.037 3.207 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -9.130 -4.453 5.945 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -7.793 -5.136 5.014 1.00 10.00 H new ATOM 264 N ARG A 20 -5.879 -6.679 2.393 1.00 10.00 N ATOM 265 CA ARG A 20 -4.566 -7.144 2.803 1.00 10.00 C ATOM 266 C ARG A 20 -3.513 -6.040 2.649 1.00 10.00 C ATOM 267 O ARG A 20 -2.588 -5.983 3.461 1.00 10.00 O ATOM 268 CB ARG A 20 -4.206 -8.395 1.986 1.00 10.00 C ATOM 269 CG ARG A 20 -4.217 -9.679 2.821 1.00 10.00 C ATOM 270 CD ARG A 20 -4.241 -10.895 1.880 1.00 10.00 C ATOM 271 NE ARG A 20 -3.623 -12.093 2.473 1.00 10.00 N ATOM 272 CZ ARG A 20 -4.135 -12.836 3.467 1.00 10.00 C ATOM 273 NH1 ARG A 20 -5.294 -12.484 4.032 1.00 10.00 N ATOM 274 NH2 ARG A 20 -3.480 -13.922 3.897 1.00 10.00 N ATOM 0 H ARG A 20 -6.240 -7.186 1.585 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.585 -7.406 3.861 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.911 -8.499 1.161 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.218 -8.263 1.546 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.336 -9.718 3.462 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -5.088 -9.694 3.476 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.273 -11.120 1.612 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -3.720 -10.643 0.956 1.00 10.00 H new ATOM 0 HE ARG A 20 -2.723 -12.385 2.093 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -5.788 -11.652 3.708 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -5.685 -13.047 4.787 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -2.592 -14.185 3.469 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -3.869 -14.486 4.652 1.00 10.00 H new ATOM 288 N ILE A 21 -3.653 -5.169 1.640 1.00 10.00 N ATOM 289 CA ILE A 21 -2.769 -4.017 1.445 1.00 10.00 C ATOM 290 C ILE A 21 -2.738 -3.227 2.748 1.00 10.00 C ATOM 291 O ILE A 21 -1.677 -3.055 3.345 1.00 10.00 O ATOM 292 CB ILE A 21 -3.239 -3.113 0.280 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.322 -3.837 -1.061 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.403 -1.846 0.110 1.00 10.00 C ATOM 295 CD1 ILE A 21 -1.978 -3.997 -1.779 1.00 10.00 C ATOM 0 H ILE A 21 -4.386 -5.246 0.935 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.773 -4.372 1.181 1.00 10.00 H new ATOM 0 HB ILE A 21 -4.246 -2.824 0.580 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -3.754 -4.825 -0.901 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.005 -3.292 -1.712 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -2.792 -1.263 -0.725 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.454 -1.252 1.022 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.366 -2.118 -0.089 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -2.130 -4.522 -2.722 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.551 -3.014 -1.975 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.296 -4.570 -1.151 1.00 10.00 H new ATOM 307 N GLU A 22 -3.911 -2.787 3.211 1.00 10.00 N ATOM 308 CA GLU A 22 -4.030 -1.996 4.423 1.00 10.00 C ATOM 309 C GLU A 22 -3.472 -2.751 5.622 1.00 10.00 C ATOM 310 O GLU A 22 -2.750 -2.183 6.442 1.00 10.00 O ATOM 311 CB GLU A 22 -5.491 -1.634 4.690 1.00 10.00 C ATOM 312 CG GLU A 22 -6.147 -0.979 3.470 1.00 10.00 C ATOM 313 CD GLU A 22 -7.274 -0.017 3.841 1.00 10.00 C ATOM 314 OE1 GLU A 22 -7.352 0.381 5.023 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.046 0.314 2.916 1.00 10.00 O ATOM 0 H GLU A 22 -4.802 -2.973 2.750 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.453 -1.082 4.278 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.044 -2.533 4.961 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.548 -0.956 5.541 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.389 -0.439 2.903 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.541 -1.756 2.816 1.00 10.00 H new ATOM 322 N LYS A 23 -3.844 -4.031 5.721 1.00 10.00 N ATOM 323 CA LYS A 23 -3.465 -4.898 6.825 1.00 10.00 C ATOM 324 C LYS A 23 -1.941 -5.014 6.939 1.00 10.00 C ATOM 325 O LYS A 23 -1.406 -4.972 8.045 1.00 10.00 O ATOM 326 CB LYS A 23 -4.168 -6.266 6.682 1.00 10.00 C ATOM 327 CG LYS A 23 -5.057 -6.588 7.893 1.00 10.00 C ATOM 328 CD LYS A 23 -4.238 -7.104 9.088 1.00 10.00 C ATOM 329 CE LYS A 23 -4.092 -8.634 9.073 1.00 10.00 C ATOM 330 NZ LYS A 23 -5.343 -9.317 9.474 1.00 10.00 N ATOM 0 H LYS A 23 -4.425 -4.494 5.023 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.801 -4.457 7.764 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.775 -6.268 5.776 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.418 -7.048 6.565 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.605 -5.693 8.188 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.797 -7.337 7.611 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.249 -6.646 9.074 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.719 -6.795 10.016 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.806 -8.961 8.073 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.287 -8.928 9.747 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -5.167 -10.338 9.565 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.668 -8.939 10.387 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -6.074 -9.154 8.752 1.00 10.00 H new ATOM 344 N ARG A 24 -1.234 -5.159 5.815 1.00 10.00 N ATOM 345 CA ARG A 24 0.223 -5.128 5.827 1.00 10.00 C ATOM 346 C ARG A 24 0.734 -3.716 6.090 1.00 10.00 C ATOM 347 O ARG A 24 1.577 -3.546 6.965 1.00 10.00 O ATOM 348 CB ARG A 24 0.812 -5.711 4.537 1.00 10.00 C ATOM 349 CG ARG A 24 1.331 -7.141 4.755 1.00 10.00 C ATOM 350 CD ARG A 24 0.232 -8.093 5.251 1.00 10.00 C ATOM 351 NE ARG A 24 0.650 -9.503 5.158 1.00 10.00 N ATOM 352 CZ ARG A 24 1.535 -10.120 5.957 1.00 10.00 C ATOM 353 NH1 ARG A 24 2.103 -9.446 6.961 1.00 10.00 N ATOM 354 NH2 ARG A 24 1.843 -11.405 5.747 1.00 10.00 N ATOM 0 H ARG A 24 -1.648 -5.298 4.893 1.00 10.00 H new ATOM 0 HA ARG A 24 0.562 -5.763 6.646 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.051 -5.713 3.756 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.626 -5.076 4.187 1.00 10.00 H new ATOM 0 HG2 ARG A 24 1.743 -7.522 3.820 1.00 10.00 H new ATOM 0 HG3 ARG A 24 2.146 -7.123 5.479 1.00 10.00 H new ATOM 0 HD2 ARG A 24 -0.017 -7.855 6.285 1.00 10.00 H new ATOM 0 HD3 ARG A 24 -0.673 -7.942 4.663 1.00 10.00 H new ATOM 0 HE ARG A 24 0.227 -10.063 4.417 1.00 10.00 H new ATOM 0 HH11 ARG A 24 1.864 -8.467 7.118 1.00 10.00 H new ATOM 0 HH12 ARG A 24 2.776 -9.910 7.571 1.00 10.00 H new ATOM 0 HH21 ARG A 24 1.405 -11.916 4.980 1.00 10.00 H new ATOM 0 HH22 ARG A 24 2.515 -11.874 6.354 1.00 10.00 H new ATOM 368 N LEU A 25 0.252 -2.711 5.356 1.00 10.00 N ATOM 369 CA LEU A 25 0.740 -1.344 5.529 1.00 10.00 C ATOM 370 C LEU A 25 0.695 -0.901 6.991 1.00 10.00 C ATOM 371 O LEU A 25 1.682 -0.394 7.518 1.00 10.00 O ATOM 372 CB LEU A 25 -0.058 -0.380 4.649 1.00 10.00 C ATOM 373 CG LEU A 25 0.335 -0.527 3.173 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.748 0.095 2.305 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.641 0.212 2.883 1.00 10.00 C ATOM 0 H LEU A 25 -0.469 -2.817 4.643 1.00 10.00 H new ATOM 0 HA LEU A 25 1.785 -1.326 5.218 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.124 -0.574 4.766 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.117 0.645 4.975 1.00 10.00 H new ATOM 0 HG LEU A 25 0.457 -1.588 2.957 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.475 -0.006 1.255 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.695 -0.414 2.484 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.851 1.151 2.553 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.900 0.094 1.831 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.518 1.271 3.110 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.438 -0.201 3.501 1.00 10.00 H new ATOM 387 N ASN A 26 -0.433 -1.138 7.661 1.00 10.00 N ATOM 388 CA ASN A 26 -0.608 -0.841 9.080 1.00 10.00 C ATOM 389 C ASN A 26 0.477 -1.488 9.941 1.00 10.00 C ATOM 390 O ASN A 26 0.866 -0.940 10.966 1.00 10.00 O ATOM 391 CB ASN A 26 -1.982 -1.331 9.550 1.00 10.00 C ATOM 392 CG ASN A 26 -3.027 -0.228 9.443 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.452 0.334 10.446 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.451 0.091 8.224 1.00 10.00 N ATOM 0 H ASN A 26 -1.260 -1.547 7.227 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.532 0.240 9.196 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.290 -2.187 8.950 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.915 -1.673 10.583 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.151 0.823 8.103 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.077 -0.396 7.410 1.00 10.00 H new ATOM 401 N LYS A 27 0.942 -2.674 9.545 1.00 10.00 N ATOM 402 CA LYS A 27 1.999 -3.380 10.250 1.00 10.00 C ATOM 403 C LYS A 27 3.340 -2.630 10.190 1.00 10.00 C ATOM 404 O LYS A 27 4.233 -2.944 10.974 1.00 10.00 O ATOM 405 CB LYS A 27 2.145 -4.807 9.694 1.00 10.00 C ATOM 406 CG LYS A 27 2.741 -5.757 10.746 1.00 10.00 C ATOM 407 CD LYS A 27 3.626 -6.822 10.083 1.00 10.00 C ATOM 408 CE LYS A 27 4.367 -7.685 11.115 1.00 10.00 C ATOM 409 NZ LYS A 27 3.452 -8.445 11.992 1.00 10.00 N ATOM 0 H LYS A 27 0.592 -3.168 8.724 1.00 10.00 H new ATOM 0 HA LYS A 27 1.714 -3.434 11.301 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.170 -5.178 9.377 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.783 -4.792 8.811 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.328 -5.187 11.466 1.00 10.00 H new ATOM 0 HG3 LYS A 27 1.938 -6.240 11.302 1.00 10.00 H new ATOM 0 HD2 LYS A 27 3.010 -7.462 9.452 1.00 10.00 H new ATOM 0 HD3 LYS A 27 4.351 -6.335 9.431 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.025 -8.381 10.594 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.002 -7.045 11.728 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 4.007 -9.009 12.667 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 2.841 -7.784 12.513 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 2.863 -9.078 11.414 1.00 10.00 H new ATOM 423 N ILE A 28 3.529 -1.701 9.244 1.00 10.00 N ATOM 424 CA ILE A 28 4.765 -0.936 9.153 1.00 10.00 C ATOM 425 C ILE A 28 4.683 0.249 10.118 1.00 10.00 C ATOM 426 O ILE A 28 3.759 1.063 10.073 1.00 10.00 O ATOM 427 CB ILE A 28 5.027 -0.429 7.730 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.894 -1.525 6.657 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.412 0.229 7.630 1.00 10.00 C ATOM 430 CD1 ILE A 28 4.754 -0.908 5.274 1.00 10.00 C ATOM 0 H ILE A 28 2.837 -1.466 8.533 1.00 10.00 H new ATOM 0 HA ILE A 28 5.593 -1.593 9.419 1.00 10.00 H new ATOM 0 HB ILE A 28 4.252 0.311 7.530 1.00 10.00 H new ATOM 0 HG12 ILE A 28 5.768 -2.175 6.684 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.026 -2.148 6.872 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.575 0.581 6.611 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.464 1.073 8.318 1.00 10.00 H new ATOM 0 HG23 ILE A 28 7.180 -0.499 7.890 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.661 -1.699 4.530 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.866 -0.277 5.245 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.635 -0.305 5.054 1.00 10.00 H new ATOM 442 N GLU A 29 5.707 0.361 10.953 1.00 10.00 N ATOM 443 CA GLU A 29 5.844 1.403 11.950 1.00 10.00 C ATOM 444 C GLU A 29 6.020 2.748 11.238 1.00 10.00 C ATOM 445 O GLU A 29 6.936 2.900 10.433 1.00 10.00 O ATOM 446 CB GLU A 29 7.049 1.076 12.847 1.00 10.00 C ATOM 447 CG GLU A 29 6.953 -0.302 13.529 1.00 10.00 C ATOM 448 CD GLU A 29 5.926 -0.337 14.658 1.00 10.00 C ATOM 449 OE1 GLU A 29 4.719 -0.350 14.337 1.00 10.00 O ATOM 450 OE2 GLU A 29 6.371 -0.359 15.825 1.00 10.00 O ATOM 0 H GLU A 29 6.488 -0.295 10.951 1.00 10.00 H new ATOM 0 HA GLU A 29 4.956 1.463 12.579 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.959 1.113 12.247 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.141 1.846 13.613 1.00 10.00 H new ATOM 0 HG2 GLU A 29 6.691 -1.053 12.784 1.00 10.00 H new ATOM 0 HG3 GLU A 29 7.931 -0.574 13.926 1.00 10.00 H new ATOM 457 N GLY A 30 5.137 3.715 11.514 1.00 10.00 N ATOM 458 CA GLY A 30 5.200 5.056 10.940 1.00 10.00 C ATOM 459 C GLY A 30 4.041 5.344 9.982 1.00 10.00 C ATOM 460 O GLY A 30 3.760 6.505 9.689 1.00 10.00 O ATOM 0 H GLY A 30 4.351 3.582 12.150 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.192 5.792 11.744 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.144 5.175 10.408 1.00 10.00 H new ATOM 464 N VAL A 31 3.345 4.315 9.490 1.00 10.00 N ATOM 465 CA VAL A 31 2.204 4.546 8.613 1.00 10.00 C ATOM 466 C VAL A 31 1.044 5.102 9.441 1.00 10.00 C ATOM 467 O VAL A 31 0.689 4.532 10.469 1.00 10.00 O ATOM 468 CB VAL A 31 1.839 3.265 7.847 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.632 3.507 6.932 1.00 10.00 C ATOM 470 CG2 VAL A 31 3.028 2.822 6.984 1.00 10.00 C ATOM 0 H VAL A 31 3.549 3.334 9.681 1.00 10.00 H new ATOM 0 HA VAL A 31 2.455 5.287 7.854 1.00 10.00 H new ATOM 0 HB VAL A 31 1.591 2.492 8.574 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.390 2.588 6.399 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.224 3.814 7.533 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.871 4.291 6.214 1.00 10.00 H new ATOM 0 HG21 VAL A 31 2.766 1.913 6.442 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.275 3.610 6.273 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.889 2.627 7.623 1.00 10.00 H new ATOM 480 N ALA A 32 0.469 6.225 8.999 1.00 10.00 N ATOM 481 CA ALA A 32 -0.651 6.871 9.665 1.00 10.00 C ATOM 482 C ALA A 32 -1.966 6.284 9.161 1.00 10.00 C ATOM 483 O ALA A 32 -2.812 5.905 9.967 1.00 10.00 O ATOM 484 CB ALA A 32 -0.601 8.386 9.440 1.00 10.00 C ATOM 0 H ALA A 32 0.777 6.712 8.157 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.583 6.688 10.737 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.445 8.857 9.944 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.330 8.783 9.844 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.653 8.597 8.372 1.00 10.00 H new ATOM 490 N ASN A 33 -2.153 6.217 7.837 1.00 10.00 N ATOM 491 CA ASN A 33 -3.377 5.712 7.222 1.00 10.00 C ATOM 492 C ASN A 33 -2.989 5.029 5.919 1.00 10.00 C ATOM 493 O ASN A 33 -1.877 5.230 5.432 1.00 10.00 O ATOM 494 CB ASN A 33 -4.369 6.846 6.911 1.00 10.00 C ATOM 495 CG ASN A 33 -4.883 7.587 8.140 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.472 6.986 9.032 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.718 8.904 8.183 1.00 10.00 N ATOM 0 H ASN A 33 -1.450 6.515 7.161 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.864 5.024 7.913 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -3.887 7.562 6.245 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.219 6.430 6.370 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.085 9.439 8.970 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.224 9.381 7.429 1.00 10.00 H new ATOM 504 N ALA A 34 -3.906 4.260 5.330 1.00 10.00 N ATOM 505 CA ALA A 34 -3.706 3.685 4.008 1.00 10.00 C ATOM 506 C ALA A 34 -4.986 3.154 3.347 1.00 10.00 C ATOM 507 O ALA A 34 -5.012 1.984 2.979 1.00 10.00 O ATOM 508 CB ALA A 34 -2.640 2.585 4.066 1.00 10.00 C ATOM 0 H ALA A 34 -4.801 4.022 5.756 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.368 4.505 3.375 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.499 2.162 3.071 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.699 3.008 4.417 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.963 1.801 4.751 1.00 10.00 H new ATOM 514 N PRO A 35 -6.038 3.967 3.157 1.00 10.00 N ATOM 515 CA PRO A 35 -7.252 3.502 2.499 1.00 10.00 C ATOM 516 C PRO A 35 -6.976 3.041 1.054 1.00 10.00 C ATOM 517 O PRO A 35 -6.467 3.819 0.244 1.00 10.00 O ATOM 518 CB PRO A 35 -8.230 4.679 2.571 1.00 10.00 C ATOM 519 CG PRO A 35 -7.322 5.904 2.695 1.00 10.00 C ATOM 520 CD PRO A 35 -6.130 5.378 3.497 1.00 10.00 C ATOM 0 HA PRO A 35 -7.669 2.622 2.989 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.856 4.734 1.680 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.900 4.590 3.426 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.016 6.279 1.718 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -7.822 6.725 3.209 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.214 5.907 3.235 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.283 5.517 4.567 1.00 10.00 H new ATOM 528 N VAL A 36 -7.304 1.781 0.726 1.00 10.00 N ATOM 529 CA VAL A 36 -7.239 1.244 -0.634 1.00 10.00 C ATOM 530 C VAL A 36 -8.578 1.399 -1.357 1.00 10.00 C ATOM 531 O VAL A 36 -9.628 1.437 -0.717 1.00 10.00 O ATOM 532 CB VAL A 36 -6.768 -0.222 -0.600 1.00 10.00 C ATOM 533 CG1 VAL A 36 -7.852 -1.168 -0.074 1.00 10.00 C ATOM 534 CG2 VAL A 36 -6.343 -0.719 -1.986 1.00 10.00 C ATOM 0 H VAL A 36 -7.627 1.099 1.413 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.509 1.819 -1.203 1.00 10.00 H new ATOM 0 HB VAL A 36 -5.914 -0.234 0.077 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -7.472 -2.190 -0.069 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -8.127 -0.878 0.940 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -8.729 -1.110 -0.718 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -6.018 -1.757 -1.916 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -7.187 -0.648 -2.672 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.521 -0.106 -2.356 1.00 10.00 H new ATOM 544 N ASN A 37 -8.552 1.458 -2.696 1.00 10.00 N ATOM 545 CA ASN A 37 -9.749 1.608 -3.517 1.00 10.00 C ATOM 546 C ASN A 37 -9.844 0.513 -4.588 1.00 10.00 C ATOM 547 O ASN A 37 -8.943 0.360 -5.413 1.00 10.00 O ATOM 548 CB ASN A 37 -9.730 2.988 -4.168 1.00 10.00 C ATOM 549 CG ASN A 37 -10.773 3.065 -5.273 1.00 10.00 C ATOM 550 OD1 ASN A 37 -11.929 2.696 -5.089 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.353 3.479 -6.460 1.00 10.00 N ATOM 0 H ASN A 37 -7.690 1.402 -3.238 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.626 1.508 -2.878 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.928 3.754 -3.418 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.741 3.191 -4.578 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -10.997 3.497 -7.251 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.386 3.780 -6.582 1.00 10.00 H new ATOM 558 N PHE A 38 -10.973 -0.205 -4.615 1.00 10.00 N ATOM 559 CA PHE A 38 -11.233 -1.307 -5.537 1.00 10.00 C ATOM 560 C PHE A 38 -12.003 -0.800 -6.760 1.00 10.00 C ATOM 561 O PHE A 38 -13.143 -1.189 -7.002 1.00 10.00 O ATOM 562 CB PHE A 38 -11.986 -2.426 -4.800 1.00 10.00 C ATOM 563 CG PHE A 38 -11.729 -3.822 -5.345 1.00 10.00 C ATOM 564 CD1 PHE A 38 -12.418 -4.303 -6.476 1.00 10.00 C ATOM 565 CD2 PHE A 38 -10.753 -4.628 -4.735 1.00 10.00 C ATOM 566 CE1 PHE A 38 -12.119 -5.578 -6.992 1.00 10.00 C ATOM 567 CE2 PHE A 38 -10.443 -5.894 -5.259 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.134 -6.375 -6.383 1.00 10.00 C ATOM 0 H PHE A 38 -11.749 -0.027 -3.977 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.291 -1.720 -5.898 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.706 -2.403 -3.747 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -13.055 -2.221 -4.850 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -13.175 -3.694 -6.947 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -10.237 -4.271 -3.856 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -12.648 -5.945 -7.859 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.674 -6.497 -4.798 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.909 -7.355 -6.778 1.00 10.00 H new ATOM 578 N ALA A 39 -11.377 0.087 -7.532 1.00 10.00 N ATOM 579 CA ALA A 39 -11.931 0.568 -8.797 1.00 10.00 C ATOM 580 C ALA A 39 -10.821 1.037 -9.734 1.00 10.00 C ATOM 581 O ALA A 39 -10.758 0.620 -10.886 1.00 10.00 O ATOM 582 CB ALA A 39 -12.955 1.682 -8.547 1.00 10.00 C ATOM 0 H ALA A 39 -10.471 0.493 -7.298 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.446 -0.260 -9.284 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.357 2.028 -9.500 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.767 1.298 -7.929 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.471 2.513 -8.035 1.00 10.00 H new ATOM 588 N LEU A 40 -9.943 1.908 -9.232 1.00 10.00 N ATOM 589 CA LEU A 40 -8.831 2.470 -9.998 1.00 10.00 C ATOM 590 C LEU A 40 -7.627 1.525 -9.967 1.00 10.00 C ATOM 591 O LEU A 40 -6.741 1.625 -10.809 1.00 10.00 O ATOM 592 CB LEU A 40 -8.423 3.843 -9.432 1.00 10.00 C ATOM 593 CG LEU A 40 -9.523 4.870 -9.322 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.199 5.987 -8.321 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.851 5.472 -10.682 1.00 10.00 C ATOM 0 H LEU A 40 -9.986 2.246 -8.271 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.160 2.595 -11.030 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.995 3.692 -8.441 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.633 4.253 -10.062 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.396 4.337 -8.944 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.027 6.695 -8.285 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.047 5.556 -7.331 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.292 6.504 -8.634 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.647 6.208 -10.571 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.963 5.956 -11.090 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.178 4.683 -11.360 1.00 10.00 H new ATOM 607 N GLU A 41 -7.606 0.633 -8.969 1.00 10.00 N ATOM 608 CA GLU A 41 -6.506 -0.270 -8.658 1.00 10.00 C ATOM 609 C GLU A 41 -5.339 0.556 -8.089 1.00 10.00 C ATOM 610 O GLU A 41 -4.193 0.484 -8.534 1.00 10.00 O ATOM 611 CB GLU A 41 -6.185 -1.193 -9.855 1.00 10.00 C ATOM 612 CG GLU A 41 -6.029 -2.657 -9.405 1.00 10.00 C ATOM 613 CD GLU A 41 -5.711 -3.626 -10.546 1.00 10.00 C ATOM 614 OE1 GLU A 41 -6.181 -3.357 -11.672 1.00 10.00 O ATOM 615 OE2 GLU A 41 -5.047 -4.653 -10.266 1.00 10.00 O ATOM 0 H GLU A 41 -8.394 0.521 -8.331 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.773 -0.979 -7.874 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.981 -1.121 -10.596 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.267 -0.859 -10.339 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.235 -2.715 -8.660 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.949 -2.977 -8.916 1.00 10.00 H new ATOM 622 N THR A 42 -5.679 1.348 -7.064 1.00 10.00 N ATOM 623 CA THR A 42 -4.823 2.314 -6.388 1.00 10.00 C ATOM 624 C THR A 42 -5.017 2.226 -4.867 1.00 10.00 C ATOM 625 O THR A 42 -6.117 1.922 -4.393 1.00 10.00 O ATOM 626 CB THR A 42 -5.151 3.733 -6.885 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.854 3.840 -8.262 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.376 4.820 -6.133 1.00 10.00 C ATOM 0 H THR A 42 -6.618 1.325 -6.665 1.00 10.00 H new ATOM 0 HA THR A 42 -3.782 2.087 -6.617 1.00 10.00 H new ATOM 0 HB THR A 42 -6.214 3.890 -6.701 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.066 4.745 -8.573 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.648 5.799 -6.527 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.622 4.774 -5.072 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.306 4.661 -6.265 1.00 10.00 H new ATOM 636 N VAL A 43 -3.953 2.535 -4.115 1.00 10.00 N ATOM 637 CA VAL A 43 -3.994 2.842 -2.690 1.00 10.00 C ATOM 638 C VAL A 43 -3.389 4.227 -2.469 1.00 10.00 C ATOM 639 O VAL A 43 -2.392 4.563 -3.114 1.00 10.00 O ATOM 640 CB VAL A 43 -3.252 1.764 -1.869 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.748 1.720 -2.152 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.438 1.961 -0.359 1.00 10.00 C ATOM 0 H VAL A 43 -3.010 2.578 -4.501 1.00 10.00 H new ATOM 0 HA VAL A 43 -5.028 2.844 -2.346 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.701 0.823 -2.185 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.286 0.942 -1.544 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.583 1.502 -3.207 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.303 2.684 -1.907 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.899 1.181 0.179 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -3.049 2.937 -0.069 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.498 1.905 -0.113 1.00 10.00 H new ATOM 652 N THR A 44 -3.963 4.988 -1.533 1.00 10.00 N ATOM 653 CA THR A 44 -3.326 6.168 -0.965 1.00 10.00 C ATOM 654 C THR A 44 -2.772 5.749 0.385 1.00 10.00 C ATOM 655 O THR A 44 -3.543 5.320 1.238 1.00 10.00 O ATOM 656 CB THR A 44 -4.342 7.302 -0.786 1.00 10.00 C ATOM 657 OG1 THR A 44 -4.856 7.664 -2.049 1.00 10.00 O ATOM 658 CG2 THR A 44 -3.724 8.516 -0.078 1.00 10.00 C ATOM 0 H THR A 44 -4.889 4.797 -1.149 1.00 10.00 H new ATOM 0 HA THR A 44 -2.540 6.538 -1.623 1.00 10.00 H new ATOM 0 HB THR A 44 -5.152 6.946 -0.149 1.00 10.00 H new ATOM 0 HG1 THR A 44 -4.852 8.640 -2.136 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.477 9.297 0.029 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.366 8.219 0.908 1.00 10.00 H new ATOM 0 HG23 THR A 44 -2.889 8.895 -0.668 1.00 10.00 H new ATOM 666 N VAL A 45 -1.461 5.869 0.585 1.00 10.00 N ATOM 667 CA VAL A 45 -0.826 5.680 1.877 1.00 10.00 C ATOM 668 C VAL A 45 -0.517 7.048 2.461 1.00 10.00 C ATOM 669 O VAL A 45 0.027 7.910 1.770 1.00 10.00 O ATOM 670 CB VAL A 45 0.428 4.813 1.745 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.060 4.551 3.119 1.00 10.00 C ATOM 672 CG2 VAL A 45 0.002 3.475 1.141 1.00 10.00 C ATOM 0 H VAL A 45 -0.805 6.104 -0.160 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.496 5.149 2.554 1.00 10.00 H new ATOM 0 HB VAL A 45 1.160 5.324 1.120 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.950 3.933 2.998 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.337 5.500 3.579 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.343 4.034 3.757 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.874 2.830 1.033 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.725 2.995 1.796 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.448 3.644 0.163 1.00 10.00 H new ATOM 682 N GLU A 46 -0.860 7.223 3.737 1.00 10.00 N ATOM 683 CA GLU A 46 -0.501 8.396 4.505 1.00 10.00 C ATOM 684 C GLU A 46 0.540 7.964 5.537 1.00 10.00 C ATOM 685 O GLU A 46 0.235 7.158 6.418 1.00 10.00 O ATOM 686 CB GLU A 46 -1.771 8.992 5.120 1.00 10.00 C ATOM 687 CG GLU A 46 -1.733 10.523 5.125 1.00 10.00 C ATOM 688 CD GLU A 46 -3.110 11.102 5.399 1.00 10.00 C ATOM 689 OE1 GLU A 46 -3.857 10.462 6.171 1.00 10.00 O ATOM 690 OE2 GLU A 46 -3.407 12.160 4.801 1.00 10.00 O ATOM 0 H GLU A 46 -1.402 6.540 4.266 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.058 9.183 3.894 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.641 8.651 4.559 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.887 8.627 6.141 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -1.031 10.870 5.883 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -1.368 10.884 4.164 1.00 10.00 H new ATOM 697 N TYR A 47 1.776 8.454 5.409 1.00 10.00 N ATOM 698 CA TYR A 47 2.879 8.102 6.295 1.00 10.00 C ATOM 699 C TYR A 47 3.880 9.246 6.325 1.00 10.00 C ATOM 700 O TYR A 47 3.701 10.228 5.609 1.00 10.00 O ATOM 701 CB TYR A 47 3.563 6.802 5.845 1.00 10.00 C ATOM 702 CG TYR A 47 4.470 6.913 4.629 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.940 6.997 3.327 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.865 6.945 4.809 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.804 7.055 2.217 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.715 7.109 3.707 1.00 10.00 C ATOM 707 CZ TYR A 47 6.193 7.125 2.409 1.00 10.00 C ATOM 708 OH TYR A 47 7.042 7.177 1.342 1.00 10.00 O ATOM 0 H TYR A 47 2.038 9.114 4.677 1.00 10.00 H new ATOM 0 HA TYR A 47 2.484 7.934 7.297 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.151 6.417 6.678 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.790 6.063 5.631 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.870 7.017 3.180 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.282 6.843 5.800 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.398 7.046 1.216 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.778 7.224 3.860 1.00 10.00 H new ATOM 0 HH TYR A 47 7.967 7.223 1.662 1.00 10.00 H new ATOM 718 N ASN A 48 4.927 9.107 7.143 1.00 10.00 N ATOM 719 CA ASN A 48 6.033 10.037 7.259 1.00 10.00 C ATOM 720 C ASN A 48 7.343 9.377 6.800 1.00 10.00 C ATOM 721 O ASN A 48 7.689 8.308 7.300 1.00 10.00 O ATOM 722 CB ASN A 48 6.142 10.529 8.708 1.00 10.00 C ATOM 723 CG ASN A 48 6.308 9.441 9.774 1.00 10.00 C ATOM 724 OD1 ASN A 48 6.107 8.258 9.533 1.00 10.00 O ATOM 725 ND2 ASN A 48 6.654 9.854 10.989 1.00 10.00 N ATOM 0 H ASN A 48 5.023 8.305 7.766 1.00 10.00 H new ATOM 0 HA ASN A 48 5.850 10.895 6.612 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.990 11.210 8.777 1.00 10.00 H new ATOM 0 HB3 ASN A 48 5.248 11.107 8.943 1.00 10.00 H new ATOM 0 HD21 ASN A 48 6.758 9.179 11.747 1.00 10.00 H new ATOM 0 HD22 ASN A 48 6.816 10.846 11.164 1.00 10.00 H new ATOM 732 N PRO A 49 8.100 9.992 5.876 1.00 10.00 N ATOM 733 CA PRO A 49 9.357 9.452 5.381 1.00 10.00 C ATOM 734 C PRO A 49 10.444 9.603 6.447 1.00 10.00 C ATOM 735 O PRO A 49 11.341 10.437 6.334 1.00 10.00 O ATOM 736 CB PRO A 49 9.655 10.228 4.094 1.00 10.00 C ATOM 737 CG PRO A 49 9.027 11.591 4.372 1.00 10.00 C ATOM 738 CD PRO A 49 7.779 11.225 5.176 1.00 10.00 C ATOM 0 HA PRO A 49 9.312 8.384 5.166 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.726 10.306 3.907 1.00 10.00 H new ATOM 0 HB3 PRO A 49 9.213 9.749 3.220 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.698 12.239 4.937 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.776 12.117 3.451 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.522 12.017 5.879 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.919 11.089 4.521 1.00 10.00 H new ATOM 746 N LYS A 50 10.347 8.790 7.498 1.00 10.00 N ATOM 747 CA LYS A 50 11.328 8.700 8.562 1.00 10.00 C ATOM 748 C LYS A 50 11.449 7.238 8.985 1.00 10.00 C ATOM 749 O LYS A 50 12.543 6.679 8.931 1.00 10.00 O ATOM 750 CB LYS A 50 10.944 9.655 9.712 1.00 10.00 C ATOM 751 CG LYS A 50 12.150 10.107 10.557 1.00 10.00 C ATOM 752 CD LYS A 50 12.652 9.025 11.529 1.00 10.00 C ATOM 753 CE LYS A 50 14.047 9.344 12.096 1.00 10.00 C ATOM 754 NZ LYS A 50 14.007 9.745 13.517 1.00 10.00 N ATOM 0 H LYS A 50 9.557 8.159 7.630 1.00 10.00 H new ATOM 0 HA LYS A 50 12.314 9.022 8.226 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.451 10.534 9.296 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.220 9.160 10.360 1.00 10.00 H new ATOM 0 HG2 LYS A 50 12.964 10.394 9.891 1.00 10.00 H new ATOM 0 HG3 LYS A 50 11.874 10.996 11.125 1.00 10.00 H new ATOM 0 HD2 LYS A 50 11.944 8.923 12.351 1.00 10.00 H new ATOM 0 HD3 LYS A 50 12.683 8.065 11.014 1.00 10.00 H new ATOM 0 HE2 LYS A 50 14.687 8.469 11.988 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.499 10.144 11.510 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 14.972 9.948 13.848 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.419 10.596 13.621 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 13.602 8.973 14.084 1.00 10.00 H new ATOM 768 N GLU A 51 10.340 6.634 9.427 1.00 10.00 N ATOM 769 CA GLU A 51 10.333 5.280 9.977 1.00 10.00 C ATOM 770 C GLU A 51 9.765 4.263 8.979 1.00 10.00 C ATOM 771 O GLU A 51 10.026 3.069 9.105 1.00 10.00 O ATOM 772 CB GLU A 51 9.591 5.280 11.320 1.00 10.00 C ATOM 773 CG GLU A 51 10.146 6.402 12.215 1.00 10.00 C ATOM 774 CD GLU A 51 9.790 6.217 13.682 1.00 10.00 C ATOM 775 OE1 GLU A 51 10.388 5.307 14.294 1.00 10.00 O ATOM 776 OE2 GLU A 51 8.971 7.025 14.169 1.00 10.00 O ATOM 0 H GLU A 51 9.420 7.075 9.412 1.00 10.00 H new ATOM 0 HA GLU A 51 11.359 4.962 10.160 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.523 5.425 11.157 1.00 10.00 H new ATOM 0 HB3 GLU A 51 9.710 4.315 11.813 1.00 10.00 H new ATOM 0 HG2 GLU A 51 11.230 6.440 12.111 1.00 10.00 H new ATOM 0 HG3 GLU A 51 9.759 7.361 11.870 1.00 10.00 H new ATOM 783 N ALA A 52 9.032 4.743 7.969 1.00 10.00 N ATOM 784 CA ALA A 52 8.562 3.968 6.833 1.00 10.00 C ATOM 785 C ALA A 52 8.934 4.741 5.572 1.00 10.00 C ATOM 786 O ALA A 52 9.036 5.966 5.632 1.00 10.00 O ATOM 787 CB ALA A 52 7.043 3.817 6.934 1.00 10.00 C ATOM 0 H ALA A 52 8.743 5.720 7.926 1.00 10.00 H new ATOM 0 HA ALA A 52 9.011 2.975 6.811 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.678 3.237 6.087 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.789 3.304 7.861 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.578 4.803 6.926 1.00 10.00 H new ATOM 793 N SER A 53 9.114 4.047 4.447 1.00 10.00 N ATOM 794 CA SER A 53 9.426 4.637 3.157 1.00 10.00 C ATOM 795 C SER A 53 8.668 3.869 2.081 1.00 10.00 C ATOM 796 O SER A 53 8.392 2.680 2.248 1.00 10.00 O ATOM 797 CB SER A 53 10.936 4.595 2.880 1.00 10.00 C ATOM 798 OG SER A 53 11.682 4.642 4.079 1.00 10.00 O ATOM 0 H SER A 53 9.043 3.030 4.414 1.00 10.00 H new ATOM 0 HA SER A 53 9.123 5.684 3.155 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.182 3.685 2.332 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.214 5.435 2.244 1.00 10.00 H new ATOM 0 HG SER A 53 11.761 3.739 4.450 1.00 10.00 H new ATOM 804 N VAL A 54 8.373 4.535 0.960 1.00 10.00 N ATOM 805 CA VAL A 54 7.717 3.933 -0.193 1.00 10.00 C ATOM 806 C VAL A 54 8.381 2.609 -0.588 1.00 10.00 C ATOM 807 O VAL A 54 7.696 1.615 -0.807 1.00 10.00 O ATOM 808 CB VAL A 54 7.607 4.956 -1.339 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.953 5.525 -1.810 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.848 4.375 -2.537 1.00 10.00 C ATOM 0 H VAL A 54 8.589 5.524 0.832 1.00 10.00 H new ATOM 0 HA VAL A 54 6.694 3.664 0.072 1.00 10.00 H new ATOM 0 HB VAL A 54 7.047 5.788 -0.913 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.784 6.237 -2.618 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.445 6.030 -0.979 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.586 4.713 -2.168 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.789 5.123 -3.328 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.373 3.495 -2.909 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.841 4.093 -2.228 1.00 10.00 H new ATOM 820 N SER A 55 9.716 2.576 -0.634 1.00 10.00 N ATOM 821 CA SER A 55 10.467 1.363 -0.948 1.00 10.00 C ATOM 822 C SER A 55 10.163 0.231 0.043 1.00 10.00 C ATOM 823 O SER A 55 10.089 -0.935 -0.338 1.00 10.00 O ATOM 824 CB SER A 55 11.970 1.670 -0.968 1.00 10.00 C ATOM 825 OG SER A 55 12.670 0.646 -1.647 1.00 10.00 O ATOM 0 H SER A 55 10.304 3.390 -0.454 1.00 10.00 H new ATOM 0 HA SER A 55 10.155 1.022 -1.935 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.146 2.627 -1.458 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.343 1.761 0.052 1.00 10.00 H new ATOM 0 HG SER A 55 13.628 0.854 -1.655 1.00 10.00 H new ATOM 831 N ASP A 56 10.025 0.571 1.324 1.00 10.00 N ATOM 832 CA ASP A 56 9.957 -0.404 2.402 1.00 10.00 C ATOM 833 C ASP A 56 8.604 -1.088 2.298 1.00 10.00 C ATOM 834 O ASP A 56 8.490 -2.308 2.164 1.00 10.00 O ATOM 835 CB ASP A 56 10.112 0.280 3.775 1.00 10.00 C ATOM 836 CG ASP A 56 11.225 1.316 3.865 1.00 10.00 C ATOM 837 OD1 ASP A 56 12.108 1.330 2.981 1.00 10.00 O ATOM 838 OD2 ASP A 56 11.114 2.157 4.784 1.00 10.00 O ATOM 0 H ASP A 56 9.957 1.538 1.641 1.00 10.00 H new ATOM 0 HA ASP A 56 10.767 -1.128 2.313 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.168 0.762 4.031 1.00 10.00 H new ATOM 0 HB3 ASP A 56 10.292 -0.488 4.527 1.00 10.00 H new ATOM 843 N LEU A 57 7.557 -0.260 2.308 1.00 10.00 N ATOM 844 CA LEU A 57 6.204 -0.724 2.110 1.00 10.00 C ATOM 845 C LEU A 57 6.068 -1.473 0.793 1.00 10.00 C ATOM 846 O LEU A 57 5.331 -2.457 0.748 1.00 10.00 O ATOM 847 CB LEU A 57 5.187 0.404 2.311 1.00 10.00 C ATOM 848 CG LEU A 57 5.272 1.580 1.341 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.523 1.307 0.034 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.678 2.823 2.012 1.00 10.00 C ATOM 0 H LEU A 57 7.635 0.746 2.454 1.00 10.00 H new ATOM 0 HA LEU A 57 5.966 -1.455 2.883 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.186 -0.023 2.242 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.301 0.789 3.324 1.00 10.00 H new ATOM 0 HG LEU A 57 6.322 1.735 1.094 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.612 2.172 -0.624 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.952 0.433 -0.456 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.471 1.122 0.250 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.734 3.669 1.326 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.636 2.634 2.270 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.241 3.052 2.917 1.00 10.00 H new ATOM 862 N LYS A 58 6.794 -1.056 -0.255 1.00 10.00 N ATOM 863 CA LYS A 58 6.819 -1.788 -1.513 1.00 10.00 C ATOM 864 C LYS A 58 7.109 -3.263 -1.220 1.00 10.00 C ATOM 865 O LYS A 58 6.343 -4.127 -1.641 1.00 10.00 O ATOM 866 CB LYS A 58 7.842 -1.180 -2.491 1.00 10.00 C ATOM 867 CG LYS A 58 7.496 -1.387 -3.967 1.00 10.00 C ATOM 868 CD LYS A 58 7.332 -2.880 -4.260 1.00 10.00 C ATOM 869 CE LYS A 58 7.731 -3.278 -5.689 1.00 10.00 C ATOM 870 NZ LYS A 58 8.011 -4.726 -5.794 1.00 10.00 N ATOM 0 H LYS A 58 7.369 -0.214 -0.248 1.00 10.00 H new ATOM 0 HA LYS A 58 5.848 -1.712 -2.002 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.925 -0.111 -2.295 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.821 -1.617 -2.294 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.576 -0.856 -4.211 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.282 -0.968 -4.596 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.936 -3.448 -3.552 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.293 -3.162 -4.091 1.00 10.00 H new ATOM 0 HE2 LYS A 58 6.930 -3.011 -6.378 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.613 -2.714 -5.991 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.358 -4.944 -6.750 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.733 -4.992 -5.094 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.139 -5.262 -5.612 1.00 10.00 H new ATOM 884 N GLU A 59 8.200 -3.560 -0.504 1.00 10.00 N ATOM 885 CA GLU A 59 8.545 -4.943 -0.194 1.00 10.00 C ATOM 886 C GLU A 59 7.393 -5.621 0.556 1.00 10.00 C ATOM 887 O GLU A 59 7.052 -6.766 0.282 1.00 10.00 O ATOM 888 CB GLU A 59 9.841 -5.033 0.628 1.00 10.00 C ATOM 889 CG GLU A 59 10.437 -6.447 0.508 1.00 10.00 C ATOM 890 CD GLU A 59 11.186 -6.869 1.763 1.00 10.00 C ATOM 891 OE1 GLU A 59 12.316 -6.379 1.955 1.00 10.00 O ATOM 892 OE2 GLU A 59 10.606 -7.686 2.514 1.00 10.00 O ATOM 0 H GLU A 59 8.850 -2.866 -0.134 1.00 10.00 H new ATOM 0 HA GLU A 59 8.714 -5.463 -1.137 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.560 -4.294 0.273 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.636 -4.802 1.673 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.637 -7.160 0.309 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.115 -6.482 -0.345 1.00 10.00 H new ATOM 899 N ALA A 60 6.797 -4.908 1.511 1.00 10.00 N ATOM 900 CA ALA A 60 5.747 -5.416 2.381 1.00 10.00 C ATOM 901 C ALA A 60 4.511 -5.836 1.585 1.00 10.00 C ATOM 902 O ALA A 60 3.944 -6.895 1.852 1.00 10.00 O ATOM 903 CB ALA A 60 5.396 -4.381 3.450 1.00 10.00 C ATOM 0 H ALA A 60 7.040 -3.936 1.703 1.00 10.00 H new ATOM 0 HA ALA A 60 6.123 -6.309 2.879 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.609 -4.775 4.093 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.280 -4.163 4.050 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.048 -3.466 2.970 1.00 10.00 H new ATOM 909 N VAL A 61 4.071 -5.024 0.618 1.00 10.00 N ATOM 910 CA VAL A 61 2.968 -5.406 -0.239 1.00 10.00 C ATOM 911 C VAL A 61 3.397 -6.488 -1.222 1.00 10.00 C ATOM 912 O VAL A 61 2.671 -7.454 -1.421 1.00 10.00 O ATOM 913 CB VAL A 61 2.376 -4.191 -0.952 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.682 -3.257 0.047 1.00 10.00 C ATOM 915 CG2 VAL A 61 3.352 -3.407 -1.829 1.00 10.00 C ATOM 0 H VAL A 61 4.466 -4.105 0.418 1.00 10.00 H new ATOM 0 HA VAL A 61 2.180 -5.825 0.386 1.00 10.00 H new ATOM 0 HB VAL A 61 1.645 -4.607 -1.645 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.268 -2.399 -0.484 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.878 -3.795 0.550 1.00 10.00 H new ATOM 0 HG13 VAL A 61 2.405 -2.912 0.786 1.00 10.00 H new ATOM 0 HG21 VAL A 61 2.833 -2.566 -2.289 1.00 10.00 H new ATOM 0 HG22 VAL A 61 4.174 -3.035 -1.217 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.746 -4.060 -2.608 1.00 10.00 H new ATOM 925 N ASP A 62 4.582 -6.353 -1.817 1.00 10.00 N ATOM 926 CA ASP A 62 5.124 -7.373 -2.712 1.00 10.00 C ATOM 927 C ASP A 62 5.114 -8.742 -2.022 1.00 10.00 C ATOM 928 O ASP A 62 4.725 -9.744 -2.620 1.00 10.00 O ATOM 929 CB ASP A 62 6.520 -6.977 -3.206 1.00 10.00 C ATOM 930 CG ASP A 62 6.810 -7.583 -4.568 1.00 10.00 C ATOM 931 OD1 ASP A 62 7.310 -8.722 -4.612 1.00 10.00 O ATOM 932 OD2 ASP A 62 6.593 -6.838 -5.555 1.00 10.00 O ATOM 0 H ASP A 62 5.188 -5.542 -1.694 1.00 10.00 H new ATOM 0 HA ASP A 62 4.488 -7.449 -3.594 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.594 -5.891 -3.264 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.271 -7.310 -2.489 1.00 10.00 H new ATOM 937 N LYS A 63 5.435 -8.758 -0.721 1.00 10.00 N ATOM 938 CA LYS A 63 5.358 -9.934 0.148 1.00 10.00 C ATOM 939 C LYS A 63 4.020 -10.691 0.040 1.00 10.00 C ATOM 940 O LYS A 63 3.976 -11.888 0.316 1.00 10.00 O ATOM 941 CB LYS A 63 5.632 -9.524 1.612 1.00 10.00 C ATOM 942 CG LYS A 63 6.695 -10.370 2.328 1.00 10.00 C ATOM 943 CD LYS A 63 8.099 -10.128 1.745 1.00 10.00 C ATOM 944 CE LYS A 63 9.211 -10.722 2.626 1.00 10.00 C ATOM 945 NZ LYS A 63 9.620 -9.805 3.710 1.00 10.00 N ATOM 0 H LYS A 63 5.765 -7.926 -0.232 1.00 10.00 H new ATOM 0 HA LYS A 63 6.126 -10.628 -0.194 1.00 10.00 H new ATOM 0 HB2 LYS A 63 5.946 -8.480 1.630 1.00 10.00 H new ATOM 0 HB3 LYS A 63 4.699 -9.586 2.173 1.00 10.00 H new ATOM 0 HG2 LYS A 63 6.696 -10.131 3.391 1.00 10.00 H new ATOM 0 HG3 LYS A 63 6.441 -11.426 2.239 1.00 10.00 H new ATOM 0 HD2 LYS A 63 8.156 -10.566 0.749 1.00 10.00 H new ATOM 0 HD3 LYS A 63 8.263 -9.056 1.632 1.00 10.00 H new ATOM 0 HE2 LYS A 63 8.866 -11.661 3.059 1.00 10.00 H new ATOM 0 HE3 LYS A 63 10.076 -10.956 2.006 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 10.023 -10.354 4.496 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 10.334 -9.139 3.351 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 8.791 -9.275 4.048 1.00 10.00 H new ATOM 959 N LEU A 64 2.925 -10.007 -0.312 1.00 10.00 N ATOM 960 CA LEU A 64 1.602 -10.603 -0.474 1.00 10.00 C ATOM 961 C LEU A 64 1.446 -11.322 -1.820 1.00 10.00 C ATOM 962 O LEU A 64 0.610 -12.218 -1.915 1.00 10.00 O ATOM 963 CB LEU A 64 0.525 -9.522 -0.308 1.00 10.00 C ATOM 964 CG LEU A 64 0.450 -9.008 1.140 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.037 -7.558 1.216 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.499 -9.902 1.948 1.00 10.00 C ATOM 0 H LEU A 64 2.939 -9.004 -0.495 1.00 10.00 H new ATOM 0 HA LEU A 64 1.481 -11.360 0.301 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.739 -8.690 -0.979 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.444 -9.926 -0.601 1.00 10.00 H new ATOM 0 HG LEU A 64 1.458 -9.042 1.554 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.073 -7.240 2.258 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.648 -6.915 0.664 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.033 -7.485 0.780 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.554 -9.540 2.975 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.493 -9.876 1.500 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -0.126 -10.926 1.944 1.00 10.00 H new ATOM 978 N GLY A 65 2.214 -10.947 -2.852 1.00 10.00 N ATOM 979 CA GLY A 65 2.249 -11.643 -4.137 1.00 10.00 C ATOM 980 C GLY A 65 2.033 -10.693 -5.316 1.00 10.00 C ATOM 981 O GLY A 65 2.767 -10.732 -6.306 1.00 10.00 O ATOM 0 H GLY A 65 2.836 -10.139 -2.813 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.209 -12.146 -4.249 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.481 -12.416 -4.150 1.00 10.00 H new ATOM 985 N TYR A 66 1.000 -9.852 -5.231 1.00 10.00 N ATOM 986 CA TYR A 66 0.740 -8.822 -6.233 1.00 10.00 C ATOM 987 C TYR A 66 1.865 -7.784 -6.236 1.00 10.00 C ATOM 988 O TYR A 66 2.707 -7.781 -5.341 1.00 10.00 O ATOM 989 CB TYR A 66 -0.635 -8.178 -6.003 1.00 10.00 C ATOM 990 CG TYR A 66 -1.031 -7.978 -4.555 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.291 -7.104 -3.738 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.121 -8.686 -4.015 1.00 10.00 C ATOM 993 CE1 TYR A 66 -0.675 -6.904 -2.406 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.521 -8.453 -2.689 1.00 10.00 C ATOM 995 CZ TYR A 66 -1.844 -7.503 -1.913 1.00 10.00 C ATOM 996 OH TYR A 66 -2.348 -7.121 -0.710 1.00 10.00 O ATOM 0 H TYR A 66 0.324 -9.867 -4.468 1.00 10.00 H new ATOM 0 HA TYR A 66 0.719 -9.286 -7.219 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.650 -7.209 -6.502 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.391 -8.797 -6.485 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.570 -6.589 -4.137 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.649 -9.408 -4.620 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.070 -6.288 -1.757 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.349 -9.005 -2.268 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.327 -7.137 -0.746 1.00 10.00 H new ATOM 1006 N LYS A 67 1.891 -6.909 -7.246 1.00 10.00 N ATOM 1007 CA LYS A 67 2.897 -5.856 -7.346 1.00 10.00 C ATOM 1008 C LYS A 67 2.246 -4.486 -7.206 1.00 10.00 C ATOM 1009 O LYS A 67 1.052 -4.329 -7.456 1.00 10.00 O ATOM 1010 CB LYS A 67 3.706 -6.000 -8.645 1.00 10.00 C ATOM 1011 CG LYS A 67 5.010 -6.752 -8.355 1.00 10.00 C ATOM 1012 CD LYS A 67 5.664 -7.343 -9.611 1.00 10.00 C ATOM 1013 CE LYS A 67 5.264 -8.811 -9.814 1.00 10.00 C ATOM 1014 NZ LYS A 67 3.799 -8.993 -9.864 1.00 10.00 N ATOM 0 H LYS A 67 1.217 -6.913 -8.012 1.00 10.00 H new ATOM 0 HA LYS A 67 3.606 -5.957 -6.524 1.00 10.00 H new ATOM 0 HB2 LYS A 67 3.122 -6.538 -9.392 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.926 -5.016 -9.060 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.713 -6.073 -7.873 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.808 -7.556 -7.647 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.370 -6.760 -10.484 1.00 10.00 H new ATOM 0 HD3 LYS A 67 6.748 -7.268 -9.528 1.00 10.00 H new ATOM 0 HE2 LYS A 67 5.705 -9.180 -10.740 1.00 10.00 H new ATOM 0 HE3 LYS A 67 5.675 -9.412 -9.003 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 3.580 -9.973 -10.136 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 3.392 -8.795 -8.928 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 3.392 -8.340 -10.563 1.00 10.00 H new ATOM 1028 N LEU A 68 3.061 -3.520 -6.775 1.00 10.00 N ATOM 1029 CA LEU A 68 2.705 -2.161 -6.436 1.00 10.00 C ATOM 1030 C LEU A 68 3.815 -1.285 -7.006 1.00 10.00 C ATOM 1031 O LEU A 68 4.955 -1.742 -7.115 1.00 10.00 O ATOM 1032 CB LEU A 68 2.645 -2.035 -4.911 1.00 10.00 C ATOM 1033 CG LEU A 68 2.153 -0.666 -4.407 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.055 -0.794 -3.340 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.345 0.109 -3.826 1.00 10.00 C ATOM 0 H LEU A 68 4.058 -3.691 -6.648 1.00 10.00 H new ATOM 0 HA LEU A 68 1.735 -1.867 -6.838 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.987 -2.811 -4.520 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.638 -2.224 -4.503 1.00 10.00 H new ATOM 0 HG LEU A 68 1.720 -0.134 -5.254 1.00 10.00 H new ATOM 0 HD11 LEU A 68 0.743 0.200 -3.018 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.200 -1.325 -3.759 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.442 -1.348 -2.485 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.007 1.081 -3.466 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.777 -0.454 -2.999 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.099 0.251 -4.600 1.00 10.00 H new ATOM 1047 N LYS A 69 3.491 -0.049 -7.368 1.00 10.00 N ATOM 1048 CA LYS A 69 4.404 0.935 -7.927 1.00 10.00 C ATOM 1049 C LYS A 69 3.903 2.326 -7.552 1.00 10.00 C ATOM 1050 O LYS A 69 2.761 2.475 -7.130 1.00 10.00 O ATOM 1051 CB LYS A 69 4.451 0.823 -9.455 1.00 10.00 C ATOM 1052 CG LYS A 69 4.898 -0.551 -9.965 1.00 10.00 C ATOM 1053 CD LYS A 69 5.101 -0.477 -11.483 1.00 10.00 C ATOM 1054 CE LYS A 69 5.294 -1.881 -12.072 1.00 10.00 C ATOM 1055 NZ LYS A 69 5.373 -1.851 -13.546 1.00 10.00 N ATOM 0 H LYS A 69 2.540 0.309 -7.275 1.00 10.00 H new ATOM 0 HA LYS A 69 5.404 0.760 -7.531 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.462 1.044 -9.856 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.130 1.582 -9.844 1.00 10.00 H new ATOM 0 HG2 LYS A 69 5.824 -0.851 -9.475 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.150 -1.305 -9.721 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.239 0.003 -11.947 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.970 0.141 -11.709 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.205 -2.323 -11.668 1.00 10.00 H new ATOM 0 HE3 LYS A 69 4.467 -2.521 -11.765 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 5.503 -2.818 -13.906 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 4.493 -1.453 -13.933 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 6.178 -1.261 -13.839 1.00 10.00 H new ATOM 1069 N LEU A 70 4.748 3.341 -7.725 1.00 10.00 N ATOM 1070 CA LEU A 70 4.401 4.732 -7.455 1.00 10.00 C ATOM 1071 C LEU A 70 3.322 5.240 -8.404 1.00 10.00 C ATOM 1072 O LEU A 70 3.259 4.834 -9.563 1.00 10.00 O ATOM 1073 CB LEU A 70 5.664 5.605 -7.458 1.00 10.00 C ATOM 1074 CG LEU A 70 5.472 7.130 -7.601 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.749 7.829 -7.122 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.204 7.567 -9.052 1.00 10.00 C ATOM 0 H LEU A 70 5.703 3.217 -8.060 1.00 10.00 H new ATOM 0 HA LEU A 70 3.967 4.796 -6.457 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.204 5.419 -6.530 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.305 5.268 -8.273 1.00 10.00 H new ATOM 0 HG LEU A 70 4.602 7.405 -7.004 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.630 8.908 -7.216 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.934 7.574 -6.078 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.593 7.502 -7.730 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.078 8.649 -9.089 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.047 7.279 -9.680 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.298 7.083 -9.416 1.00 10.00 H new ATOM 1088 N LYS A 71 2.502 6.161 -7.889 1.00 10.00 N ATOM 1089 CA LYS A 71 1.485 6.887 -8.634 1.00 10.00 C ATOM 1090 C LYS A 71 1.558 8.395 -8.343 1.00 10.00 C ATOM 1091 O LYS A 71 1.706 9.183 -9.272 1.00 10.00 O ATOM 1092 CB LYS A 71 0.121 6.257 -8.339 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.931 6.495 -9.424 1.00 10.00 C ATOM 1094 CD LYS A 71 -0.530 5.896 -10.782 1.00 10.00 C ATOM 1095 CE LYS A 71 -1.782 5.424 -11.543 1.00 10.00 C ATOM 1096 NZ LYS A 71 -1.457 4.524 -12.667 1.00 10.00 N ATOM 0 H LYS A 71 2.535 6.427 -6.905 1.00 10.00 H new ATOM 0 HA LYS A 71 1.658 6.803 -9.707 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.251 5.183 -8.205 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.252 6.653 -7.395 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -1.879 6.061 -9.106 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.093 7.567 -9.538 1.00 10.00 H new ATOM 0 HD2 LYS A 71 0.005 6.640 -11.372 1.00 10.00 H new ATOM 0 HD3 LYS A 71 0.151 5.058 -10.632 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.450 4.910 -10.852 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.321 6.292 -11.922 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -2.337 4.168 -13.093 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -0.912 5.046 -13.383 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -0.893 3.723 -12.318 1.00 10.00 H new ATOM 1110 N GLY A 72 1.533 8.785 -7.063 1.00 10.00 N ATOM 1111 CA GLY A 72 1.727 10.164 -6.617 1.00 10.00 C ATOM 1112 C GLY A 72 0.443 11.010 -6.608 1.00 10.00 C ATOM 1113 O GLY A 72 -0.003 11.459 -7.660 1.00 10.00 O ATOM 0 H GLY A 72 1.374 8.134 -6.294 1.00 10.00 H new ATOM 0 HA2 GLY A 72 2.149 10.153 -5.612 1.00 10.00 H new ATOM 0 HA3 GLY A 72 2.460 10.644 -7.265 1.00 10.00 H new ATOM 1117 N GLU A 73 -0.098 11.277 -5.409 1.00 10.00 N ATOM 1118 CA GLU A 73 -1.320 12.053 -5.188 1.00 10.00 C ATOM 1119 C GLU A 73 -0.986 13.506 -4.842 1.00 10.00 C ATOM 1120 O GLU A 73 -1.306 14.410 -5.609 1.00 10.00 O ATOM 1121 CB GLU A 73 -2.146 11.356 -4.094 1.00 10.00 C ATOM 1122 CG GLU A 73 -3.266 12.160 -3.433 1.00 10.00 C ATOM 1123 CD GLU A 73 -3.900 11.364 -2.302 1.00 10.00 C ATOM 1124 OE1 GLU A 73 -4.030 10.136 -2.477 1.00 10.00 O ATOM 1125 OE2 GLU A 73 -4.186 11.992 -1.260 1.00 10.00 O ATOM 0 H GLU A 73 0.320 10.946 -4.540 1.00 10.00 H new ATOM 0 HA GLU A 73 -1.917 12.092 -6.099 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -2.587 10.458 -4.527 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -1.460 11.029 -3.312 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -2.868 13.098 -3.046 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -4.023 12.416 -4.174 1.00 10.00 H new ATOM 1132 N GLN A 74 -0.358 13.729 -3.678 1.00 10.00 N ATOM 1133 CA GLN A 74 -0.042 15.044 -3.116 1.00 10.00 C ATOM 1134 C GLN A 74 -1.201 16.053 -3.209 1.00 10.00 C ATOM 1135 O GLN A 74 -0.992 17.199 -3.597 1.00 10.00 O ATOM 1136 CB GLN A 74 1.279 15.595 -3.685 1.00 10.00 C ATOM 1137 CG GLN A 74 1.282 15.787 -5.209 1.00 10.00 C ATOM 1138 CD GLN A 74 2.437 16.669 -5.662 1.00 10.00 C ATOM 1139 OE1 GLN A 74 3.564 16.207 -5.811 1.00 10.00 O ATOM 1140 NE2 GLN A 74 2.168 17.952 -5.894 1.00 10.00 N ATOM 0 H GLN A 74 -0.045 12.964 -3.080 1.00 10.00 H new ATOM 0 HA GLN A 74 0.104 14.892 -2.046 1.00 10.00 H new ATOM 0 HB2 GLN A 74 1.494 16.552 -3.210 1.00 10.00 H new ATOM 0 HB3 GLN A 74 2.088 14.916 -3.415 1.00 10.00 H new ATOM 0 HG2 GLN A 74 1.352 14.815 -5.698 1.00 10.00 H new ATOM 0 HG3 GLN A 74 0.338 16.234 -5.522 1.00 10.00 H new ATOM 0 HE21 GLN A 74 1.221 18.307 -5.761 1.00 10.00 H new ATOM 0 HE22 GLN A 74 2.909 18.580 -6.205 1.00 10.00 H new ATOM 1149 N ASP A 75 -2.401 15.627 -2.798 1.00 10.00 N ATOM 1150 CA ASP A 75 -3.638 16.410 -2.811 1.00 10.00 C ATOM 1151 C ASP A 75 -4.779 15.553 -2.256 1.00 10.00 C ATOM 1152 O ASP A 75 -5.131 15.676 -1.084 1.00 10.00 O ATOM 1153 CB ASP A 75 -3.983 16.940 -4.226 1.00 10.00 C ATOM 1154 CG ASP A 75 -3.798 18.446 -4.374 1.00 10.00 C ATOM 1155 OD1 ASP A 75 -4.254 19.168 -3.461 1.00 10.00 O ATOM 1156 OD2 ASP A 75 -3.276 18.857 -5.434 1.00 10.00 O ATOM 0 H ASP A 75 -2.540 14.685 -2.431 1.00 10.00 H new ATOM 0 HA ASP A 75 -3.495 17.287 -2.180 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -3.356 16.431 -4.958 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -5.017 16.684 -4.459 1.00 10.00 H new ATOM 1161 N SER A 76 -5.358 14.690 -3.102 1.00 10.00 N ATOM 1162 CA SER A 76 -6.486 13.827 -2.754 1.00 10.00 C ATOM 1163 C SER A 76 -6.718 12.753 -3.823 1.00 10.00 C ATOM 1164 O SER A 76 -6.915 11.596 -3.476 1.00 10.00 O ATOM 1165 CB SER A 76 -7.761 14.658 -2.540 1.00 10.00 C ATOM 1166 OG SER A 76 -8.793 13.873 -1.968 1.00 10.00 O ATOM 0 H SER A 76 -5.046 14.573 -4.066 1.00 10.00 H new ATOM 0 HA SER A 76 -6.240 13.322 -1.820 1.00 10.00 H new ATOM 0 HB2 SER A 76 -7.542 15.505 -1.890 1.00 10.00 H new ATOM 0 HB3 SER A 76 -8.097 15.066 -3.493 1.00 10.00 H new ATOM 0 HG SER A 76 -9.592 14.426 -1.841 1.00 10.00 H new ATOM 1172 N ILE A 77 -6.764 13.164 -5.102 1.00 10.00 N ATOM 1173 CA ILE A 77 -6.997 12.345 -6.299 1.00 10.00 C ATOM 1174 C ILE A 77 -7.802 11.065 -6.000 1.00 10.00 C ATOM 1175 O ILE A 77 -7.320 9.943 -6.121 1.00 10.00 O ATOM 1176 CB ILE A 77 -5.689 12.143 -7.114 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -5.150 13.465 -7.709 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -5.893 11.214 -8.330 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -4.519 14.445 -6.717 1.00 10.00 C ATOM 0 H ILE A 77 -6.630 14.147 -5.341 1.00 10.00 H new ATOM 0 HA ILE A 77 -7.656 12.900 -6.967 1.00 10.00 H new ATOM 0 HB ILE A 77 -4.993 11.716 -6.392 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -4.408 13.221 -8.469 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -5.971 13.972 -8.216 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -4.951 11.105 -8.867 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -6.231 10.236 -7.988 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -6.641 11.645 -8.995 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -4.178 15.333 -7.250 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -5.258 14.732 -5.969 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -3.671 13.969 -6.225 1.00 10.00 H new ATOM 1191 N GLU A 78 -9.075 11.247 -5.636 1.00 10.00 N ATOM 1192 CA GLU A 78 -10.037 10.173 -5.462 1.00 10.00 C ATOM 1193 C GLU A 78 -11.409 10.794 -5.720 1.00 10.00 C ATOM 1194 O GLU A 78 -11.724 11.820 -5.118 1.00 10.00 O ATOM 1195 CB GLU A 78 -9.923 9.594 -4.042 1.00 10.00 C ATOM 1196 CG GLU A 78 -10.731 8.297 -3.888 1.00 10.00 C ATOM 1197 CD GLU A 78 -10.642 7.725 -2.477 1.00 10.00 C ATOM 1198 OE1 GLU A 78 -10.849 8.514 -1.530 1.00 10.00 O ATOM 1199 OE2 GLU A 78 -10.398 6.503 -2.379 1.00 10.00 O ATOM 0 H GLU A 78 -9.467 12.170 -5.452 1.00 10.00 H new ATOM 0 HA GLU A 78 -9.863 9.343 -6.147 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -8.876 9.399 -3.812 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -10.276 10.330 -3.320 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -11.775 8.490 -4.134 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -10.367 7.558 -4.601 1.00 10.00 H new ATOM 1206 N GLY A 79 -12.205 10.232 -6.638 1.00 10.00 N ATOM 1207 CA GLY A 79 -13.562 10.710 -6.861 1.00 10.00 C ATOM 1208 C GLY A 79 -14.118 10.349 -8.236 1.00 10.00 C ATOM 1209 O GLY A 79 -14.906 9.413 -8.351 1.00 10.00 O ATOM 0 H GLY A 79 -11.929 9.450 -7.232 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -14.215 10.295 -6.094 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -13.581 11.794 -6.744 1.00 10.00 H new ATOM 1213 N ARG A 80 -13.774 11.143 -9.254 1.00 10.00 N ATOM 1214 CA ARG A 80 -14.444 11.151 -10.550 1.00 10.00 C ATOM 1215 C ARG A 80 -13.573 10.422 -11.574 1.00 10.00 C ATOM 1216 O ARG A 80 -12.360 10.708 -11.608 1.00 10.00 O ATOM 1217 CB ARG A 80 -14.727 12.615 -10.958 1.00 10.00 C ATOM 1218 CG ARG A 80 -16.046 12.858 -11.723 1.00 10.00 C ATOM 1219 CD ARG A 80 -15.916 12.828 -13.253 1.00 10.00 C ATOM 1220 NE ARG A 80 -15.396 11.536 -13.709 1.00 10.00 N ATOM 1221 CZ ARG A 80 -14.752 11.291 -14.855 1.00 10.00 C ATOM 1222 NH1 ARG A 80 -14.873 12.128 -15.890 1.00 10.00 N ATOM 1223 NH2 ARG A 80 -13.985 10.202 -14.925 1.00 10.00 N ATOM 1224 OXT ARG A 80 -14.154 9.654 -12.377 1.00 10.00 O ATOM 0 H ARG A 80 -13.005 11.811 -9.195 1.00 10.00 H new ATOM 0 HA ARG A 80 -15.398 10.627 -10.499 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -14.734 13.228 -10.057 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -13.901 12.966 -11.576 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -16.771 12.103 -11.419 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -16.450 13.826 -11.425 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -16.889 13.014 -13.708 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -15.252 13.628 -13.581 1.00 10.00 H new ATOM 0 HE ARG A 80 -15.540 10.740 -13.087 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -15.459 12.959 -15.808 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -14.379 11.936 -16.762 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -13.903 9.584 -14.118 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -13.481 9.988 -15.785 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -7.367 -11.729 -1.640 1.00 10.00 CU