USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 479 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 NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 34 ASN :FLIP amide:sc= -4.58! C(o=-6.3!,f=-4.6!) USER MOD Set 1.2: A 36 GLN :FLIP amide:sc= -0.0247 X(o=-4.7,f=-4.6) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0801 (180deg=0) USER MOD Single : A 2 SER OG : rot 54:sc= 0.323 USER MOD Single : A 3 SER OG : rot 3:sc= 0.238 USER MOD Single : A 5 SER OG : rot 63:sc= 0.195 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.048) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.304 K(o=-0.3,f=-1.1) USER MOD Single : A 23 GLN : amide:sc= -0.377 K(o=-0.38,f=-3.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -176:sc= -2.57 (180deg=-2.7) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -61:sc= 0.0441 USER MOD Single : A 50 THR OG1 : rot 104:sc= 1.44 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= -0.0242 (180deg=-0.179) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= -0.0038 (180deg=-0.124) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 82:sc= 1.12 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 15:sc= 0.199! USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.275 13.285 -8.328 1.00 0.00 N ATOM 2 CA GLY A 1 27.963 13.022 -8.892 1.00 0.00 C ATOM 3 C GLY A 1 26.940 14.066 -8.490 1.00 0.00 C ATOM 4 O GLY A 1 27.202 14.901 -7.624 1.00 0.00 O ATOM 0 H1 GLY A 1 29.940 13.524 -9.092 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.213 14.081 -7.661 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.613 12.439 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.038 12.990 -9.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.622 12.039 -8.567 1.00 0.00 H new ATOM 8 N SER A 2 25.771 14.020 -9.121 1.00 0.00 N ATOM 9 CA SER A 2 24.706 14.973 -8.828 1.00 0.00 C ATOM 10 C SER A 2 23.494 14.265 -8.230 1.00 0.00 C ATOM 11 O SER A 2 22.514 13.997 -8.925 1.00 0.00 O ATOM 12 CB SER A 2 24.300 15.721 -10.098 1.00 0.00 C ATOM 13 OG SER A 2 23.987 14.818 -11.145 1.00 0.00 O ATOM 0 H SER A 2 25.537 13.333 -9.838 1.00 0.00 H new ATOM 0 HA SER A 2 25.082 15.690 -8.098 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.438 16.355 -9.890 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.111 16.379 -10.411 1.00 0.00 H new ATOM 0 HG SER A 2 23.311 14.180 -10.835 1.00 0.00 H new ATOM 19 N SER A 3 23.568 13.967 -6.937 1.00 0.00 N ATOM 20 CA SER A 3 22.479 13.287 -6.246 1.00 0.00 C ATOM 21 C SER A 3 22.471 13.644 -4.762 1.00 0.00 C ATOM 22 O SER A 3 23.360 14.340 -4.275 1.00 0.00 O ATOM 23 CB SER A 3 22.605 11.772 -6.416 1.00 0.00 C ATOM 24 OG SER A 3 22.408 11.393 -7.767 1.00 0.00 O ATOM 0 H SER A 3 24.371 14.186 -6.347 1.00 0.00 H new ATOM 0 HA SER A 3 21.539 13.618 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.591 11.446 -6.084 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.873 11.270 -5.784 1.00 0.00 H new ATOM 0 HG SER A 3 22.270 12.194 -8.315 1.00 0.00 H new ATOM 30 N GLY A 4 21.457 13.162 -4.050 1.00 0.00 N ATOM 31 CA GLY A 4 21.351 13.440 -2.629 1.00 0.00 C ATOM 32 C GLY A 4 19.924 13.717 -2.198 1.00 0.00 C ATOM 33 O GLY A 4 19.363 14.764 -2.521 1.00 0.00 O ATOM 0 H GLY A 4 20.708 12.584 -4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.739 12.591 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.975 14.299 -2.382 1.00 0.00 H new ATOM 37 N SER A 5 19.335 12.775 -1.469 1.00 0.00 N ATOM 38 CA SER A 5 17.962 12.921 -0.997 1.00 0.00 C ATOM 39 C SER A 5 17.916 13.711 0.307 1.00 0.00 C ATOM 40 O SER A 5 17.285 13.293 1.277 1.00 0.00 O ATOM 41 CB SER A 5 17.322 11.546 -0.796 1.00 0.00 C ATOM 42 OG SER A 5 17.986 10.818 0.222 1.00 0.00 O ATOM 0 H SER A 5 19.786 11.903 -1.192 1.00 0.00 H new ATOM 0 HA SER A 5 17.400 13.470 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.270 11.666 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.357 10.985 -1.730 1.00 0.00 H new ATOM 0 HG SER A 5 17.895 11.292 1.075 1.00 0.00 H new ATOM 48 N SER A 6 18.591 14.857 0.321 1.00 0.00 N ATOM 49 CA SER A 6 18.631 15.706 1.506 1.00 0.00 C ATOM 50 C SER A 6 17.658 16.873 1.371 1.00 0.00 C ATOM 51 O SER A 6 17.842 17.755 0.533 1.00 0.00 O ATOM 52 CB SER A 6 20.049 16.232 1.734 1.00 0.00 C ATOM 53 OG SER A 6 20.862 15.252 2.357 1.00 0.00 O ATOM 0 H SER A 6 19.117 15.218 -0.475 1.00 0.00 H new ATOM 0 HA SER A 6 18.332 15.105 2.365 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.490 16.523 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.013 17.127 2.355 1.00 0.00 H new ATOM 0 HG SER A 6 21.764 15.612 2.490 1.00 0.00 H new ATOM 59 N GLY A 7 16.622 16.872 2.204 1.00 0.00 N ATOM 60 CA GLY A 7 15.635 17.935 2.162 1.00 0.00 C ATOM 61 C GLY A 7 15.088 18.272 3.534 1.00 0.00 C ATOM 62 O GLY A 7 15.693 17.933 4.551 1.00 0.00 O ATOM 0 H GLY A 7 16.449 16.154 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.084 18.827 1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.814 17.639 1.510 1.00 0.00 H new ATOM 66 N GLU A 8 13.940 18.943 3.564 1.00 0.00 N ATOM 67 CA GLU A 8 13.314 19.328 4.823 1.00 0.00 C ATOM 68 C GLU A 8 11.793 19.245 4.722 1.00 0.00 C ATOM 69 O GLU A 8 11.206 19.617 3.706 1.00 0.00 O ATOM 70 CB GLU A 8 13.733 20.747 5.214 1.00 0.00 C ATOM 71 CG GLU A 8 15.160 20.840 5.726 1.00 0.00 C ATOM 72 CD GLU A 8 15.610 22.272 5.942 1.00 0.00 C ATOM 73 OE1 GLU A 8 15.610 23.049 4.964 1.00 0.00 O ATOM 74 OE2 GLU A 8 15.961 22.616 7.090 1.00 0.00 O ATOM 0 H GLU A 8 13.426 19.231 2.731 1.00 0.00 H new ATOM 0 HA GLU A 8 13.649 18.633 5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.623 21.401 4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.055 21.118 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.242 20.292 6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.829 20.356 5.015 1.00 0.00 H new ATOM 81 N PHE A 9 11.162 18.753 5.783 1.00 0.00 N ATOM 82 CA PHE A 9 9.710 18.619 5.814 1.00 0.00 C ATOM 83 C PHE A 9 9.175 18.824 7.228 1.00 0.00 C ATOM 84 O PHE A 9 9.918 18.726 8.205 1.00 0.00 O ATOM 85 CB PHE A 9 9.293 17.242 5.294 1.00 0.00 C ATOM 86 CG PHE A 9 9.801 16.944 3.913 1.00 0.00 C ATOM 87 CD1 PHE A 9 9.062 17.300 2.796 1.00 0.00 C ATOM 88 CD2 PHE A 9 11.018 16.307 3.731 1.00 0.00 C ATOM 89 CE1 PHE A 9 9.528 17.027 1.523 1.00 0.00 C ATOM 90 CE2 PHE A 9 11.489 16.032 2.461 1.00 0.00 C ATOM 91 CZ PHE A 9 10.742 16.391 1.355 1.00 0.00 C ATOM 0 H PHE A 9 11.633 18.441 6.632 1.00 0.00 H new ATOM 0 HA PHE A 9 9.285 19.388 5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.658 16.478 5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.205 17.177 5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.111 17.796 2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.605 16.022 4.591 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.943 17.311 0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 9 12.440 15.537 2.333 1.00 0.00 H new ATOM 0 HZ PHE A 9 11.107 16.175 0.362 1.00 0.00 H new ATOM 101 N ALA A 10 7.881 19.111 7.330 1.00 0.00 N ATOM 102 CA ALA A 10 7.246 19.329 8.623 1.00 0.00 C ATOM 103 C ALA A 10 6.048 18.404 8.809 1.00 0.00 C ATOM 104 O ALA A 10 5.014 18.575 8.163 1.00 0.00 O ATOM 105 CB ALA A 10 6.820 20.783 8.763 1.00 0.00 C ATOM 0 H ALA A 10 7.252 19.198 6.532 1.00 0.00 H new ATOM 0 HA ALA A 10 7.974 19.099 9.401 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.347 20.932 9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.695 21.428 8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.112 21.032 7.972 1.00 0.00 H new ATOM 111 N ILE A 11 6.194 17.424 9.695 1.00 0.00 N ATOM 112 CA ILE A 11 5.124 16.473 9.965 1.00 0.00 C ATOM 113 C ILE A 11 4.030 17.104 10.820 1.00 0.00 C ATOM 114 O ILE A 11 4.269 17.491 11.964 1.00 0.00 O ATOM 115 CB ILE A 11 5.655 15.215 10.677 1.00 0.00 C ATOM 116 CG1 ILE A 11 6.713 14.523 9.815 1.00 0.00 C ATOM 117 CG2 ILE A 11 4.512 14.261 10.990 1.00 0.00 C ATOM 118 CD1 ILE A 11 7.731 13.744 10.618 1.00 0.00 C ATOM 0 H ILE A 11 7.043 17.268 10.238 1.00 0.00 H new ATOM 0 HA ILE A 11 4.707 16.185 9.000 1.00 0.00 H new ATOM 0 HB ILE A 11 6.119 15.516 11.617 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.217 13.847 9.118 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.231 15.273 9.217 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.903 13.377 11.493 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.791 14.758 11.639 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.022 13.964 10.063 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.450 13.280 9.942 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.254 14.419 11.296 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.224 12.971 11.195 1.00 0.00 H new ATOM 130 N ASP A 12 2.831 17.204 10.258 1.00 0.00 N ATOM 131 CA ASP A 12 1.699 17.785 10.970 1.00 0.00 C ATOM 132 C ASP A 12 0.396 17.096 10.576 1.00 0.00 C ATOM 133 O ASP A 12 0.231 16.624 9.451 1.00 0.00 O ATOM 134 CB ASP A 12 1.604 19.285 10.683 1.00 0.00 C ATOM 135 CG ASP A 12 2.940 19.987 10.824 1.00 0.00 C ATOM 136 OD1 ASP A 12 3.754 19.909 9.880 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.172 20.615 11.878 1.00 0.00 O ATOM 0 H ASP A 12 2.618 16.890 9.311 1.00 0.00 H new ATOM 0 HA ASP A 12 1.859 17.636 12.038 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.223 19.435 9.673 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.885 19.738 11.366 1.00 0.00 H new ATOM 142 N PRO A 13 -0.551 17.035 11.523 1.00 0.00 N ATOM 143 CA PRO A 13 -1.856 16.404 11.297 1.00 0.00 C ATOM 144 C PRO A 13 -2.729 17.205 10.337 1.00 0.00 C ATOM 145 O PRO A 13 -3.668 16.673 9.747 1.00 0.00 O ATOM 146 CB PRO A 13 -2.482 16.377 12.694 1.00 0.00 C ATOM 147 CG PRO A 13 -1.824 17.496 13.426 1.00 0.00 C ATOM 148 CD PRO A 13 -0.423 17.577 12.886 1.00 0.00 C ATOM 0 HA PRO A 13 -1.760 15.420 10.838 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.562 16.516 12.647 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.305 15.422 13.189 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.358 18.433 13.268 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.818 17.310 14.500 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -0.054 18.603 12.878 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.274 16.993 13.487 1.00 0.00 H new ATOM 156 N ASN A 14 -2.412 18.487 10.186 1.00 0.00 N ATOM 157 CA ASN A 14 -3.168 19.361 9.297 1.00 0.00 C ATOM 158 C ASN A 14 -3.544 18.634 8.009 1.00 0.00 C ATOM 159 O ASN A 14 -4.717 18.561 7.647 1.00 0.00 O ATOM 160 CB ASN A 14 -2.355 20.616 8.968 1.00 0.00 C ATOM 161 CG ASN A 14 -2.059 21.451 10.199 1.00 0.00 C ATOM 162 OD1 ASN A 14 -2.969 21.976 10.840 1.00 0.00 O ATOM 163 ND2 ASN A 14 -0.780 21.577 10.534 1.00 0.00 N ATOM 0 H ASN A 14 -1.637 18.943 10.668 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.084 19.653 9.810 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.417 20.325 8.496 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.902 21.221 8.245 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.519 22.127 11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.059 21.124 9.973 1.00 0.00 H new ATOM 170 N GLU A 15 -2.539 18.098 7.323 1.00 0.00 N ATOM 171 CA GLU A 15 -2.765 17.377 6.076 1.00 0.00 C ATOM 172 C GLU A 15 -3.252 15.957 6.349 1.00 0.00 C ATOM 173 O GLU A 15 -2.683 15.223 7.158 1.00 0.00 O ATOM 174 CB GLU A 15 -1.481 17.336 5.245 1.00 0.00 C ATOM 175 CG GLU A 15 -1.699 16.889 3.809 1.00 0.00 C ATOM 176 CD GLU A 15 -0.506 17.181 2.920 1.00 0.00 C ATOM 177 OE1 GLU A 15 0.417 17.886 3.379 1.00 0.00 O ATOM 178 OE2 GLU A 15 -0.495 16.705 1.766 1.00 0.00 O ATOM 0 H GLU A 15 -1.561 18.150 7.610 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.536 17.906 5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.028 18.327 5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.770 16.661 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.906 15.819 3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.579 17.390 3.406 1.00 0.00 H new ATOM 185 N PRO A 16 -4.332 15.560 5.660 1.00 0.00 N ATOM 186 CA PRO A 16 -4.920 14.225 5.811 1.00 0.00 C ATOM 187 C PRO A 16 -4.029 13.130 5.236 1.00 0.00 C ATOM 188 O PRO A 16 -3.071 13.409 4.513 1.00 0.00 O ATOM 189 CB PRO A 16 -6.226 14.322 5.018 1.00 0.00 C ATOM 190 CG PRO A 16 -5.982 15.396 4.015 1.00 0.00 C ATOM 191 CD PRO A 16 -5.061 16.382 4.680 1.00 0.00 C ATOM 0 HA PRO A 16 -5.059 13.957 6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.466 13.375 4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.066 14.570 5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.531 14.990 3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.916 15.873 3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.384 16.847 3.963 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.615 17.187 5.163 1.00 0.00 H new ATOM 199 N THR A 17 -4.349 11.881 5.561 1.00 0.00 N ATOM 200 CA THR A 17 -3.576 10.744 5.077 1.00 0.00 C ATOM 201 C THR A 17 -4.434 9.822 4.218 1.00 0.00 C ATOM 202 O THR A 17 -5.663 9.858 4.288 1.00 0.00 O ATOM 203 CB THR A 17 -2.980 9.933 6.243 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.031 9.354 7.025 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.112 10.815 7.127 1.00 0.00 C ATOM 0 H THR A 17 -5.138 11.632 6.157 1.00 0.00 H new ATOM 0 HA THR A 17 -2.764 11.148 4.473 1.00 0.00 H new ATOM 0 HB THR A 17 -2.359 9.140 5.825 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.644 8.839 7.763 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.702 10.221 7.944 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.296 11.232 6.536 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.715 11.626 7.536 1.00 0.00 H new ATOM 213 N TYR A 18 -3.780 8.996 3.410 1.00 0.00 N ATOM 214 CA TYR A 18 -4.483 8.065 2.536 1.00 0.00 C ATOM 215 C TYR A 18 -3.951 6.646 2.710 1.00 0.00 C ATOM 216 O TYR A 18 -4.668 5.752 3.162 1.00 0.00 O ATOM 217 CB TYR A 18 -4.343 8.498 1.076 1.00 0.00 C ATOM 218 CG TYR A 18 -4.895 9.878 0.797 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.209 11.017 1.200 1.00 0.00 C ATOM 220 CD2 TYR A 18 -6.103 10.042 0.131 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.711 12.279 0.949 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.612 11.301 -0.127 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.912 12.416 0.285 1.00 0.00 C ATOM 224 OH TYR A 18 -6.414 13.672 0.031 1.00 0.00 O ATOM 0 H TYR A 18 -2.763 8.952 3.342 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.538 8.075 2.812 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.289 8.475 0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.856 7.776 0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.267 10.914 1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.654 9.171 -0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.166 13.154 1.271 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.552 11.411 -0.648 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.267 13.593 -0.445 1.00 0.00 H new ATOM 234 N CYS A 19 -2.688 6.446 2.350 1.00 0.00 N ATOM 235 CA CYS A 19 -2.057 5.137 2.466 1.00 0.00 C ATOM 236 C CYS A 19 -2.386 4.491 3.809 1.00 0.00 C ATOM 237 O CYS A 19 -2.877 5.153 4.725 1.00 0.00 O ATOM 238 CB CYS A 19 -0.540 5.263 2.306 1.00 0.00 C ATOM 239 SG CYS A 19 0.310 3.679 2.010 1.00 0.00 S ATOM 0 H CYS A 19 -2.081 7.175 1.975 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.448 4.501 1.672 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.328 5.938 1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.127 5.722 3.204 1.00 0.00 H new ATOM 244 N LEU A 20 -2.114 3.196 3.918 1.00 0.00 N ATOM 245 CA LEU A 20 -2.380 2.459 5.149 1.00 0.00 C ATOM 246 C LEU A 20 -1.451 2.915 6.269 1.00 0.00 C ATOM 247 O LEU A 20 -1.845 2.971 7.434 1.00 0.00 O ATOM 248 CB LEU A 20 -2.215 0.957 4.914 1.00 0.00 C ATOM 249 CG LEU A 20 -2.897 0.394 3.667 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.136 -0.813 3.141 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.342 0.025 3.970 1.00 0.00 C ATOM 0 H LEU A 20 -1.709 2.634 3.169 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.408 2.663 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.150 0.734 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.602 0.429 5.785 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.894 1.164 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.636 -1.200 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.118 -0.518 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.107 -1.587 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.812 -0.374 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.368 -0.728 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.883 0.912 4.299 1.00 0.00 H new ATOM 263 N CYS A 21 -0.214 3.243 5.908 1.00 0.00 N ATOM 264 CA CYS A 21 0.772 3.696 6.881 1.00 0.00 C ATOM 265 C CYS A 21 0.354 5.027 7.500 1.00 0.00 C ATOM 266 O CYS A 21 0.996 5.522 8.425 1.00 0.00 O ATOM 267 CB CYS A 21 2.144 3.838 6.219 1.00 0.00 C ATOM 268 SG CYS A 21 2.202 5.076 4.885 1.00 0.00 S ATOM 0 H CYS A 21 0.129 3.203 4.948 1.00 0.00 H new ATOM 0 HA CYS A 21 0.833 2.950 7.673 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.877 4.106 6.980 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.442 2.871 5.815 1.00 0.00 H new ATOM 273 N ASN A 22 -0.728 5.600 6.982 1.00 0.00 N ATOM 274 CA ASN A 22 -1.232 6.874 7.483 1.00 0.00 C ATOM 275 C ASN A 22 -0.207 7.984 7.276 1.00 0.00 C ATOM 276 O ASN A 22 0.153 8.693 8.215 1.00 0.00 O ATOM 277 CB ASN A 22 -1.583 6.759 8.968 1.00 0.00 C ATOM 278 CG ASN A 22 -2.656 5.720 9.230 1.00 0.00 C ATOM 279 OD1 ASN A 22 -2.359 4.550 9.469 1.00 0.00 O ATOM 280 ND2 ASN A 22 -3.914 6.145 9.184 1.00 0.00 N ATOM 0 H ASN A 22 -1.272 5.203 6.216 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.132 7.126 6.922 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.686 6.501 9.532 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.922 7.728 9.334 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.679 5.492 9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.114 7.125 8.982 1.00 0.00 H new ATOM 287 N GLN A 23 0.259 8.129 6.039 1.00 0.00 N ATOM 288 CA GLN A 23 1.243 9.153 5.709 1.00 0.00 C ATOM 289 C GLN A 23 0.749 10.035 4.567 1.00 0.00 C ATOM 290 O GLN A 23 -0.136 9.644 3.806 1.00 0.00 O ATOM 291 CB GLN A 23 2.576 8.507 5.330 1.00 0.00 C ATOM 292 CG GLN A 23 3.367 7.998 6.524 1.00 0.00 C ATOM 293 CD GLN A 23 4.095 9.107 7.257 1.00 0.00 C ATOM 294 OE1 GLN A 23 3.560 10.200 7.442 1.00 0.00 O ATOM 295 NE2 GLN A 23 5.324 8.831 7.680 1.00 0.00 N ATOM 0 H GLN A 23 -0.029 7.551 5.250 1.00 0.00 H new ATOM 0 HA GLN A 23 1.388 9.778 6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.387 7.677 4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.181 9.233 4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.691 7.494 7.215 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.090 7.255 6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.729 7.911 7.505 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.862 9.539 8.180 1.00 0.00 H new ATOM 304 N VAL A 24 1.326 11.227 4.453 1.00 0.00 N ATOM 305 CA VAL A 24 0.945 12.164 3.403 1.00 0.00 C ATOM 306 C VAL A 24 1.395 11.668 2.034 1.00 0.00 C ATOM 307 O VAL A 24 2.384 10.945 1.919 1.00 0.00 O ATOM 308 CB VAL A 24 1.544 13.561 3.653 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.007 14.148 4.950 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.063 13.492 3.678 1.00 0.00 C ATOM 0 H VAL A 24 2.059 11.567 5.075 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.143 12.234 3.421 1.00 0.00 H new ATOM 0 HB VAL A 24 1.246 14.217 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.441 15.135 5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.078 14.234 4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.272 13.496 5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.470 14.488 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.384 12.821 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.426 13.117 2.721 1.00 0.00 H new ATOM 320 N SER A 25 0.661 12.062 0.998 1.00 0.00 N ATOM 321 CA SER A 25 0.983 11.654 -0.365 1.00 0.00 C ATOM 322 C SER A 25 2.328 12.228 -0.801 1.00 0.00 C ATOM 323 O SER A 25 2.586 13.422 -0.645 1.00 0.00 O ATOM 324 CB SER A 25 -0.115 12.110 -1.328 1.00 0.00 C ATOM 325 OG SER A 25 0.029 13.481 -1.654 1.00 0.00 O ATOM 0 H SER A 25 -0.160 12.663 1.076 1.00 0.00 H new ATOM 0 HA SER A 25 1.048 10.566 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.077 11.511 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.092 11.941 -0.876 1.00 0.00 H new ATOM 0 HG SER A 25 -0.684 13.747 -2.272 1.00 0.00 H new ATOM 331 N TYR A 26 3.181 11.369 -1.347 1.00 0.00 N ATOM 332 CA TYR A 26 4.501 11.788 -1.803 1.00 0.00 C ATOM 333 C TYR A 26 5.114 10.744 -2.731 1.00 0.00 C ATOM 334 O TYR A 26 4.577 9.649 -2.892 1.00 0.00 O ATOM 335 CB TYR A 26 5.424 12.030 -0.607 1.00 0.00 C ATOM 336 CG TYR A 26 6.097 10.775 -0.099 1.00 0.00 C ATOM 337 CD1 TYR A 26 5.406 9.863 0.689 1.00 0.00 C ATOM 338 CD2 TYR A 26 7.424 10.501 -0.407 1.00 0.00 C ATOM 339 CE1 TYR A 26 6.017 8.715 1.156 1.00 0.00 C ATOM 340 CE2 TYR A 26 8.043 9.355 0.055 1.00 0.00 C ATOM 341 CZ TYR A 26 7.335 8.466 0.836 1.00 0.00 C ATOM 342 OH TYR A 26 7.947 7.323 1.299 1.00 0.00 O ATOM 0 H TYR A 26 2.982 10.378 -1.485 1.00 0.00 H new ATOM 0 HA TYR A 26 4.387 12.719 -2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.189 12.754 -0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.847 12.476 0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.373 10.055 0.941 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.981 11.196 -1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.465 8.017 1.768 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.075 9.157 -0.194 1.00 0.00 H new ATOM 0 HH TYR A 26 8.874 7.298 0.983 1.00 0.00 H new ATOM 352 N GLY A 27 6.245 11.092 -3.338 1.00 0.00 N ATOM 353 CA GLY A 27 6.914 10.174 -4.241 1.00 0.00 C ATOM 354 C GLY A 27 5.979 9.610 -5.292 1.00 0.00 C ATOM 355 O GLY A 27 5.249 10.355 -5.945 1.00 0.00 O ATOM 0 H GLY A 27 6.709 11.993 -3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.739 10.689 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.346 9.355 -3.667 1.00 0.00 H new ATOM 359 N GLU A 28 6.002 8.291 -5.457 1.00 0.00 N ATOM 360 CA GLU A 28 5.151 7.629 -6.438 1.00 0.00 C ATOM 361 C GLU A 28 3.977 6.931 -5.758 1.00 0.00 C ATOM 362 O GLU A 28 4.147 6.255 -4.744 1.00 0.00 O ATOM 363 CB GLU A 28 5.962 6.615 -7.248 1.00 0.00 C ATOM 364 CG GLU A 28 6.393 5.399 -6.444 1.00 0.00 C ATOM 365 CD GLU A 28 7.524 5.707 -5.482 1.00 0.00 C ATOM 366 OE1 GLU A 28 8.682 5.801 -5.940 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.252 5.853 -4.272 1.00 0.00 O ATOM 0 H GLU A 28 6.601 7.660 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 28 4.757 8.390 -7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.368 6.285 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.848 7.108 -7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.539 5.017 -5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.706 4.609 -7.127 1.00 0.00 H new ATOM 374 N MET A 29 2.787 7.102 -6.323 1.00 0.00 N ATOM 375 CA MET A 29 1.584 6.489 -5.772 1.00 0.00 C ATOM 376 C MET A 29 0.648 6.030 -6.886 1.00 0.00 C ATOM 377 O MET A 29 0.825 6.397 -8.048 1.00 0.00 O ATOM 378 CB MET A 29 0.858 7.474 -4.854 1.00 0.00 C ATOM 379 CG MET A 29 1.423 7.520 -3.443 1.00 0.00 C ATOM 380 SD MET A 29 0.643 8.786 -2.424 1.00 0.00 S ATOM 381 CE MET A 29 -0.583 7.812 -1.553 1.00 0.00 C ATOM 0 H MET A 29 2.630 7.660 -7.162 1.00 0.00 H new ATOM 0 HA MET A 29 1.885 5.617 -5.192 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.911 8.471 -5.290 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.197 7.203 -4.806 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.291 6.547 -2.971 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.496 7.708 -3.491 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.196 8.467 -0.934 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.217 7.296 -2.274 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.083 7.079 -0.920 1.00 0.00 H new ATOM 391 N ILE A 30 -0.345 5.225 -6.523 1.00 0.00 N ATOM 392 CA ILE A 30 -1.308 4.717 -7.493 1.00 0.00 C ATOM 393 C ILE A 30 -2.738 4.910 -7.000 1.00 0.00 C ATOM 394 O ILE A 30 -2.983 5.019 -5.799 1.00 0.00 O ATOM 395 CB ILE A 30 -1.076 3.223 -7.787 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.576 2.368 -6.621 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.399 2.959 -8.052 1.00 0.00 C ATOM 398 CD1 ILE A 30 -0.973 2.752 -5.288 1.00 0.00 C ATOM 0 H ILE A 30 -0.504 4.911 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.162 5.287 -8.411 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.640 2.951 -8.679 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.661 2.453 -6.558 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.350 1.322 -6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.548 1.899 -8.258 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.725 3.545 -8.911 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.983 3.244 -7.176 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.373 2.104 -4.508 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.110 2.640 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.221 3.789 -5.061 1.00 0.00 H new ATOM 410 N GLY A 31 -3.681 4.951 -7.937 1.00 0.00 N ATOM 411 CA GLY A 31 -5.076 5.129 -7.578 1.00 0.00 C ATOM 412 C GLY A 31 -5.887 3.861 -7.758 1.00 0.00 C ATOM 413 O GLY A 31 -6.147 3.436 -8.883 1.00 0.00 O ATOM 0 H GLY A 31 -3.504 4.864 -8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.142 5.455 -6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.507 5.922 -8.189 1.00 0.00 H new ATOM 417 N CYS A 32 -6.288 3.255 -6.645 1.00 0.00 N ATOM 418 CA CYS A 32 -7.073 2.027 -6.683 1.00 0.00 C ATOM 419 C CYS A 32 -8.184 2.124 -7.724 1.00 0.00 C ATOM 420 O CYS A 32 -9.094 2.945 -7.601 1.00 0.00 O ATOM 421 CB CYS A 32 -7.672 1.737 -5.306 1.00 0.00 C ATOM 422 SG CYS A 32 -8.915 0.406 -5.301 1.00 0.00 S ATOM 0 H CYS A 32 -6.082 3.595 -5.706 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.409 1.209 -6.962 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.867 1.471 -4.620 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.130 2.648 -4.922 1.00 0.00 H new ATOM 427 N ASP A 33 -8.104 1.280 -8.747 1.00 0.00 N ATOM 428 CA ASP A 33 -9.104 1.269 -9.809 1.00 0.00 C ATOM 429 C ASP A 33 -10.488 1.593 -9.256 1.00 0.00 C ATOM 430 O ASP A 33 -11.289 2.259 -9.910 1.00 0.00 O ATOM 431 CB ASP A 33 -9.125 -0.092 -10.505 1.00 0.00 C ATOM 432 CG ASP A 33 -9.906 -0.067 -11.804 1.00 0.00 C ATOM 433 OD1 ASP A 33 -9.934 0.997 -12.459 1.00 0.00 O ATOM 434 OD2 ASP A 33 -10.487 -1.110 -12.167 1.00 0.00 O ATOM 0 H ASP A 33 -7.357 0.595 -8.863 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.835 2.036 -10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.102 -0.410 -10.706 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.563 -0.832 -9.835 1.00 0.00 H new ATOM 439 N ASN A 34 -10.763 1.115 -8.046 1.00 0.00 N ATOM 440 CA ASN A 34 -12.051 1.352 -7.405 1.00 0.00 C ATOM 441 C ASN A 34 -12.246 2.836 -7.107 1.00 0.00 C ATOM 442 O ASN A 34 -11.513 3.419 -6.308 1.00 0.00 O ATOM 443 CB ASN A 34 -12.157 0.542 -6.112 1.00 0.00 C ATOM 444 CG ASN A 34 -13.595 0.338 -5.673 1.00 0.00 C ATOM 445 OD1 ASN A 34 -13.804 0.220 -4.367 1.00 0.00 O flip ATOM 446 ND2 ASN A 34 -14.506 0.288 -6.500 1.00 0.00 N flip ATOM 0 H ASN A 34 -10.111 0.561 -7.490 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.835 1.032 -8.091 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.682 -0.429 -6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.607 1.052 -5.321 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.298 0.384 -7.494 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.468 0.151 -6.191 1.00 0.00 H new ATOM 453 N GLU A 35 -13.238 3.439 -7.754 1.00 0.00 N ATOM 454 CA GLU A 35 -13.528 4.854 -7.557 1.00 0.00 C ATOM 455 C GLU A 35 -14.030 5.115 -6.140 1.00 0.00 C ATOM 456 O GLU A 35 -13.503 5.974 -5.434 1.00 0.00 O ATOM 457 CB GLU A 35 -14.568 5.330 -8.574 1.00 0.00 C ATOM 458 CG GLU A 35 -13.976 5.692 -9.926 1.00 0.00 C ATOM 459 CD GLU A 35 -13.395 7.092 -9.953 1.00 0.00 C ATOM 460 OE1 GLU A 35 -14.157 8.045 -10.219 1.00 0.00 O ATOM 461 OE2 GLU A 35 -12.179 7.235 -9.708 1.00 0.00 O ATOM 0 H GLU A 35 -13.854 2.970 -8.418 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.603 5.412 -7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.314 4.547 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.088 6.199 -8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.196 4.974 -10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.748 5.608 -10.691 1.00 0.00 H new ATOM 468 N GLN A 36 -15.050 4.368 -5.733 1.00 0.00 N ATOM 469 CA GLN A 36 -15.624 4.519 -4.401 1.00 0.00 C ATOM 470 C GLN A 36 -14.532 4.530 -3.336 1.00 0.00 C ATOM 471 O GLN A 36 -14.696 5.124 -2.270 1.00 0.00 O ATOM 472 CB GLN A 36 -16.617 3.390 -4.119 1.00 0.00 C ATOM 473 CG GLN A 36 -16.004 2.003 -4.215 1.00 0.00 C ATOM 474 CD GLN A 36 -16.828 0.950 -3.501 1.00 0.00 C ATOM 475 OE1 GLN A 36 -17.303 -0.039 -4.249 1.00 0.00 O flip ATOM 476 NE2 GLN A 36 -17.037 1.025 -2.289 1.00 0.00 N flip ATOM 0 H GLN A 36 -15.496 3.652 -6.306 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.150 5.473 -4.366 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -17.035 3.525 -3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -17.446 3.462 -4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.900 1.728 -5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.000 2.023 -3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -16.653 1.803 -1.752 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -17.594 0.309 -1.822 1.00 0.00 H new ATOM 485 N CYS A 37 -13.418 3.869 -3.632 1.00 0.00 N ATOM 486 CA CYS A 37 -12.299 3.800 -2.700 1.00 0.00 C ATOM 487 C CYS A 37 -12.080 5.145 -2.013 1.00 0.00 C ATOM 488 O CYS A 37 -11.764 6.151 -2.649 1.00 0.00 O ATOM 489 CB CYS A 37 -11.024 3.376 -3.432 1.00 0.00 C ATOM 490 SG CYS A 37 -9.812 2.518 -2.377 1.00 0.00 S ATOM 0 H CYS A 37 -13.266 3.373 -4.510 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.538 3.057 -1.939 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.294 2.723 -4.262 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.554 4.260 -3.862 1.00 0.00 H new ATOM 495 N PRO A 38 -12.252 5.165 -0.683 1.00 0.00 N ATOM 496 CA PRO A 38 -12.078 6.379 0.120 1.00 0.00 C ATOM 497 C PRO A 38 -10.619 6.815 0.204 1.00 0.00 C ATOM 498 O PRO A 38 -10.308 7.870 0.756 1.00 0.00 O ATOM 499 CB PRO A 38 -12.593 5.967 1.502 1.00 0.00 C ATOM 500 CG PRO A 38 -12.416 4.489 1.547 1.00 0.00 C ATOM 501 CD PRO A 38 -12.629 4.003 0.140 1.00 0.00 C ATOM 0 HA PRO A 38 -12.605 7.231 -0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.030 6.457 2.296 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.639 6.245 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.420 4.226 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.131 4.031 2.230 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.009 3.134 -0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.664 3.708 -0.031 1.00 0.00 H new ATOM 509 N ILE A 39 -9.730 5.996 -0.348 1.00 0.00 N ATOM 510 CA ILE A 39 -8.304 6.299 -0.337 1.00 0.00 C ATOM 511 C ILE A 39 -7.771 6.486 -1.753 1.00 0.00 C ATOM 512 O ILE A 39 -7.145 7.500 -2.062 1.00 0.00 O ATOM 513 CB ILE A 39 -7.498 5.187 0.360 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.122 4.848 1.715 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.047 5.613 0.531 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.652 3.527 2.283 1.00 0.00 C ATOM 0 H ILE A 39 -9.972 5.118 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.183 7.228 0.220 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.523 4.294 -0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.887 5.643 2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.207 4.824 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.490 4.817 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.608 5.810 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.002 6.517 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.135 3.352 3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.911 2.722 1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.571 3.554 2.420 1.00 0.00 H new ATOM 528 N GLU A 40 -8.024 5.502 -2.610 1.00 0.00 N ATOM 529 CA GLU A 40 -7.570 5.560 -3.995 1.00 0.00 C ATOM 530 C GLU A 40 -6.194 6.213 -4.089 1.00 0.00 C ATOM 531 O GLU A 40 -5.894 6.916 -5.054 1.00 0.00 O ATOM 532 CB GLU A 40 -8.574 6.334 -4.852 1.00 0.00 C ATOM 533 CG GLU A 40 -8.606 5.887 -6.304 1.00 0.00 C ATOM 534 CD GLU A 40 -9.516 6.747 -7.159 1.00 0.00 C ATOM 535 OE1 GLU A 40 -10.747 6.547 -7.102 1.00 0.00 O ATOM 536 OE2 GLU A 40 -8.997 7.620 -7.886 1.00 0.00 O ATOM 0 H GLU A 40 -8.540 4.656 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.495 4.539 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.570 6.219 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.330 7.396 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.596 5.917 -6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.939 4.850 -6.354 1.00 0.00 H new ATOM 543 N TRP A 41 -5.363 5.975 -3.081 1.00 0.00 N ATOM 544 CA TRP A 41 -4.019 6.539 -3.049 1.00 0.00 C ATOM 545 C TRP A 41 -3.118 5.750 -2.105 1.00 0.00 C ATOM 546 O TRP A 41 -3.320 5.755 -0.891 1.00 0.00 O ATOM 547 CB TRP A 41 -4.069 8.006 -2.618 1.00 0.00 C ATOM 548 CG TRP A 41 -4.841 8.877 -3.562 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.975 9.585 -3.283 1.00 0.00 C ATOM 550 CD2 TRP A 41 -4.536 9.129 -4.938 1.00 0.00 C ATOM 551 NE1 TRP A 41 -6.394 10.262 -4.403 1.00 0.00 N ATOM 552 CE2 TRP A 41 -5.528 10.000 -5.431 1.00 0.00 C ATOM 553 CE3 TRP A 41 -3.522 8.706 -5.801 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -5.532 10.453 -6.748 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -3.528 9.157 -7.107 1.00 0.00 C ATOM 556 CH2 TRP A 41 -4.527 10.023 -7.571 1.00 0.00 C ATOM 0 H TRP A 41 -5.596 5.395 -2.275 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.603 6.476 -4.054 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.517 8.071 -1.627 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.051 8.387 -2.533 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.470 9.609 -2.323 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.217 10.862 -4.460 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.747 8.038 -5.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.301 11.120 -7.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.749 8.836 -7.782 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.503 10.357 -8.598 1.00 0.00 H new ATOM 567 N PHE A 42 -2.125 5.072 -2.670 1.00 0.00 N ATOM 568 CA PHE A 42 -1.194 4.277 -1.878 1.00 0.00 C ATOM 569 C PHE A 42 0.213 4.343 -2.464 1.00 0.00 C ATOM 570 O PHE A 42 0.388 4.472 -3.676 1.00 0.00 O ATOM 571 CB PHE A 42 -1.663 2.822 -1.811 1.00 0.00 C ATOM 572 CG PHE A 42 -3.114 2.675 -1.450 1.00 0.00 C ATOM 573 CD1 PHE A 42 -4.104 3.037 -2.348 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.486 2.176 -0.212 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.440 2.904 -2.020 1.00 0.00 C ATOM 576 CE2 PHE A 42 -4.820 2.040 0.122 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.799 2.405 -0.783 1.00 0.00 C ATOM 0 H PHE A 42 -1.944 5.057 -3.674 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.168 4.691 -0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.487 2.347 -2.776 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.059 2.287 -1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.829 3.428 -3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.725 1.890 0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.202 3.190 -2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.098 1.649 1.090 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.842 2.300 -0.524 1.00 0.00 H new ATOM 587 N HIS A 43 1.215 4.254 -1.595 1.00 0.00 N ATOM 588 CA HIS A 43 2.607 4.303 -2.025 1.00 0.00 C ATOM 589 C HIS A 43 3.030 2.977 -2.650 1.00 0.00 C ATOM 590 O HIS A 43 2.403 1.943 -2.421 1.00 0.00 O ATOM 591 CB HIS A 43 3.517 4.636 -0.842 1.00 0.00 C ATOM 592 CG HIS A 43 3.094 5.858 -0.086 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.787 5.843 1.258 1.00 0.00 N ATOM 594 CD2 HIS A 43 2.929 7.138 -0.494 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.450 7.060 1.644 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.528 7.865 0.600 1.00 0.00 N ATOM 0 H HIS A 43 1.088 4.148 -0.589 1.00 0.00 H new ATOM 0 HA HIS A 43 2.701 5.086 -2.778 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.538 3.786 -0.160 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.535 4.778 -1.206 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.084 7.517 -1.493 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.160 7.348 2.644 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.324 8.864 0.605 1.00 0.00 H new ATOM 604 N PHE A 44 4.098 3.015 -3.441 1.00 0.00 N ATOM 605 CA PHE A 44 4.603 1.817 -4.100 1.00 0.00 C ATOM 606 C PHE A 44 5.291 0.894 -3.099 1.00 0.00 C ATOM 607 O PHE A 44 4.828 -0.217 -2.843 1.00 0.00 O ATOM 608 CB PHE A 44 5.580 2.196 -5.215 1.00 0.00 C ATOM 609 CG PHE A 44 4.903 2.626 -6.485 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.849 3.524 -6.454 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.321 2.132 -7.710 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.223 3.921 -7.621 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.700 2.525 -8.881 1.00 0.00 C ATOM 614 CZ PHE A 44 3.650 3.421 -8.836 1.00 0.00 C ATOM 0 H PHE A 44 4.630 3.862 -3.641 1.00 0.00 H new ATOM 0 HA PHE A 44 3.755 1.287 -4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.223 3.003 -4.865 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.225 1.343 -5.427 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.512 3.919 -5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.142 1.431 -7.751 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.401 4.621 -7.583 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.035 2.132 -9.829 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.163 3.730 -9.749 1.00 0.00 H new ATOM 624 N SER A 45 6.400 1.363 -2.536 1.00 0.00 N ATOM 625 CA SER A 45 7.155 0.579 -1.565 1.00 0.00 C ATOM 626 C SER A 45 6.218 -0.122 -0.586 1.00 0.00 C ATOM 627 O SER A 45 6.393 -1.301 -0.277 1.00 0.00 O ATOM 628 CB SER A 45 8.131 1.476 -0.801 1.00 0.00 C ATOM 629 OG SER A 45 9.341 1.642 -1.520 1.00 0.00 O ATOM 0 H SER A 45 6.796 2.282 -2.735 1.00 0.00 H new ATOM 0 HA SER A 45 7.719 -0.180 -2.108 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.673 2.449 -0.624 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.342 1.041 0.176 1.00 0.00 H new ATOM 0 HG SER A 45 9.947 2.220 -1.011 1.00 0.00 H new ATOM 635 N CYS A 46 5.222 0.612 -0.101 1.00 0.00 N ATOM 636 CA CYS A 46 4.257 0.064 0.844 1.00 0.00 C ATOM 637 C CYS A 46 3.523 -1.130 0.240 1.00 0.00 C ATOM 638 O CYS A 46 3.461 -2.203 0.840 1.00 0.00 O ATOM 639 CB CYS A 46 3.250 1.139 1.258 1.00 0.00 C ATOM 640 SG CYS A 46 3.829 2.220 2.605 1.00 0.00 S ATOM 0 H CYS A 46 5.062 1.589 -0.347 1.00 0.00 H new ATOM 0 HA CYS A 46 4.801 -0.274 1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.013 1.754 0.390 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.324 0.654 1.568 1.00 0.00 H new ATOM 645 N VAL A 47 2.968 -0.935 -0.952 1.00 0.00 N ATOM 646 CA VAL A 47 2.239 -1.995 -1.639 1.00 0.00 C ATOM 647 C VAL A 47 3.190 -2.912 -2.400 1.00 0.00 C ATOM 648 O VAL A 47 2.797 -3.570 -3.363 1.00 0.00 O ATOM 649 CB VAL A 47 1.203 -1.418 -2.622 1.00 0.00 C ATOM 650 CG1 VAL A 47 0.216 -0.521 -1.892 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.898 -0.659 -3.743 1.00 0.00 C ATOM 0 H VAL A 47 3.009 -0.053 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 47 1.720 -2.570 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 47 0.647 -2.245 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.508 -0.123 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.305 -1.099 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.753 0.302 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.151 -0.258 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.480 0.160 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.561 -1.335 -4.283 1.00 0.00 H new ATOM 661 N SER A 48 4.444 -2.950 -1.961 1.00 0.00 N ATOM 662 CA SER A 48 5.454 -3.784 -2.602 1.00 0.00 C ATOM 663 C SER A 48 5.448 -3.578 -4.114 1.00 0.00 C ATOM 664 O SER A 48 5.347 -4.535 -4.883 1.00 0.00 O ATOM 665 CB SER A 48 5.210 -5.259 -2.276 1.00 0.00 C ATOM 666 OG SER A 48 6.341 -6.047 -2.604 1.00 0.00 O ATOM 0 H SER A 48 4.785 -2.413 -1.164 1.00 0.00 H new ATOM 0 HA SER A 48 6.430 -3.491 -2.216 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.982 -5.368 -1.216 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.341 -5.618 -2.827 1.00 0.00 H new ATOM 0 HG SER A 48 6.515 -5.985 -3.566 1.00 0.00 H new ATOM 672 N LEU A 49 5.557 -2.322 -4.534 1.00 0.00 N ATOM 673 CA LEU A 49 5.565 -1.988 -5.954 1.00 0.00 C ATOM 674 C LEU A 49 6.886 -1.341 -6.354 1.00 0.00 C ATOM 675 O LEU A 49 7.522 -0.655 -5.553 1.00 0.00 O ATOM 676 CB LEU A 49 4.403 -1.049 -6.283 1.00 0.00 C ATOM 677 CG LEU A 49 3.117 -1.717 -6.770 1.00 0.00 C ATOM 678 CD1 LEU A 49 2.001 -0.692 -6.903 1.00 0.00 C ATOM 679 CD2 LEU A 49 3.353 -2.426 -8.096 1.00 0.00 C ATOM 0 H LEU A 49 5.641 -1.518 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 49 5.449 -2.912 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.171 -0.465 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.735 -0.346 -7.047 1.00 0.00 H new ATOM 0 HG LEU A 49 2.814 -2.460 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.093 -1.185 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.814 -0.230 -5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.295 0.075 -7.620 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.427 -2.896 -8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.680 -1.702 -8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.121 -3.189 -7.969 1.00 0.00 H new ATOM 691 N THR A 50 7.295 -1.562 -7.600 1.00 0.00 N ATOM 692 CA THR A 50 8.540 -1.000 -8.107 1.00 0.00 C ATOM 693 C THR A 50 8.275 0.008 -9.220 1.00 0.00 C ATOM 694 O THR A 50 9.013 0.981 -9.378 1.00 0.00 O ATOM 695 CB THR A 50 9.478 -2.100 -8.639 1.00 0.00 C ATOM 696 OG1 THR A 50 8.764 -2.964 -9.530 1.00 0.00 O ATOM 697 CG2 THR A 50 10.060 -2.915 -7.493 1.00 0.00 C ATOM 0 H THR A 50 6.781 -2.127 -8.276 1.00 0.00 H new ATOM 0 HA THR A 50 9.023 -0.495 -7.270 1.00 0.00 H new ATOM 0 HB THR A 50 10.296 -1.621 -9.176 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.004 -2.750 -10.456 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.719 -3.686 -7.893 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.627 -2.260 -6.832 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.251 -3.384 -6.933 1.00 0.00 H new ATOM 705 N TYR A 51 7.218 -0.231 -9.988 1.00 0.00 N ATOM 706 CA TYR A 51 6.857 0.655 -11.089 1.00 0.00 C ATOM 707 C TYR A 51 5.391 0.480 -11.470 1.00 0.00 C ATOM 708 O TYR A 51 4.816 -0.595 -11.300 1.00 0.00 O ATOM 709 CB TYR A 51 7.748 0.385 -12.302 1.00 0.00 C ATOM 710 CG TYR A 51 8.010 -1.084 -12.545 1.00 0.00 C ATOM 711 CD1 TYR A 51 6.984 -1.941 -12.924 1.00 0.00 C ATOM 712 CD2 TYR A 51 9.286 -1.616 -12.398 1.00 0.00 C ATOM 713 CE1 TYR A 51 7.219 -3.284 -13.146 1.00 0.00 C ATOM 714 CE2 TYR A 51 9.531 -2.957 -12.619 1.00 0.00 C ATOM 715 CZ TYR A 51 8.494 -3.787 -12.993 1.00 0.00 C ATOM 716 OH TYR A 51 8.733 -5.124 -13.215 1.00 0.00 O ATOM 0 H TYR A 51 6.596 -1.031 -9.869 1.00 0.00 H new ATOM 0 HA TYR A 51 7.007 1.683 -10.759 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.280 0.814 -13.188 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.700 0.897 -12.164 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.985 -1.550 -13.047 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.100 -0.969 -12.106 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.409 -3.936 -13.438 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.528 -3.354 -12.500 1.00 0.00 H new ATOM 0 HH TYR A 51 9.682 -5.316 -13.065 1.00 0.00 H new ATOM 726 N LYS A 52 4.790 1.546 -11.989 1.00 0.00 N ATOM 727 CA LYS A 52 3.391 1.512 -12.398 1.00 0.00 C ATOM 728 C LYS A 52 3.033 0.158 -13.002 1.00 0.00 C ATOM 729 O LYS A 52 3.524 -0.225 -14.064 1.00 0.00 O ATOM 730 CB LYS A 52 3.107 2.625 -13.410 1.00 0.00 C ATOM 731 CG LYS A 52 1.633 2.964 -13.544 1.00 0.00 C ATOM 732 CD LYS A 52 1.094 3.616 -12.281 1.00 0.00 C ATOM 733 CE LYS A 52 -0.383 3.951 -12.414 1.00 0.00 C ATOM 734 NZ LYS A 52 -1.217 2.729 -12.583 1.00 0.00 N ATOM 0 H LYS A 52 5.250 2.444 -12.136 1.00 0.00 H new ATOM 0 HA LYS A 52 2.776 1.669 -11.512 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.652 3.521 -13.114 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.492 2.325 -14.385 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.488 3.635 -14.391 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.068 2.056 -13.756 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.242 2.947 -11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.657 4.525 -12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.713 4.496 -11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.530 4.612 -13.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.222 2.978 -12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.052 2.324 -13.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.960 2.030 -11.857 1.00 0.00 H new ATOM 748 N PRO A 53 2.154 -0.585 -12.312 1.00 0.00 N ATOM 749 CA PRO A 53 1.709 -1.907 -12.762 1.00 0.00 C ATOM 750 C PRO A 53 0.820 -1.829 -13.999 1.00 0.00 C ATOM 751 O PRO A 53 -0.329 -1.395 -13.923 1.00 0.00 O ATOM 752 CB PRO A 53 0.916 -2.441 -11.567 1.00 0.00 C ATOM 753 CG PRO A 53 0.451 -1.222 -10.846 1.00 0.00 C ATOM 754 CD PRO A 53 1.528 -0.191 -11.038 1.00 0.00 C ATOM 0 HA PRO A 53 2.546 -2.541 -13.053 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.075 -3.054 -11.892 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.538 -3.067 -10.927 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.500 -0.871 -11.246 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.295 -1.430 -9.788 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.115 0.817 -11.088 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.245 -0.202 -10.217 1.00 0.00 H new ATOM 762 N LYS A 54 1.360 -2.252 -15.137 1.00 0.00 N ATOM 763 CA LYS A 54 0.616 -2.232 -16.391 1.00 0.00 C ATOM 764 C LYS A 54 -0.740 -2.912 -16.229 1.00 0.00 C ATOM 765 O LYS A 54 -0.817 -4.117 -15.995 1.00 0.00 O ATOM 766 CB LYS A 54 1.418 -2.925 -17.495 1.00 0.00 C ATOM 767 CG LYS A 54 0.771 -2.831 -18.866 1.00 0.00 C ATOM 768 CD LYS A 54 1.244 -1.601 -19.622 1.00 0.00 C ATOM 769 CE LYS A 54 0.288 -0.432 -19.438 1.00 0.00 C ATOM 770 NZ LYS A 54 -0.984 -0.633 -20.184 1.00 0.00 N ATOM 0 H LYS A 54 2.311 -2.613 -15.217 1.00 0.00 H new ATOM 0 HA LYS A 54 0.450 -1.191 -16.670 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.414 -2.484 -17.541 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.547 -3.976 -17.234 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.006 -3.726 -19.442 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.313 -2.797 -18.756 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.237 -1.318 -19.274 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.333 -1.836 -20.683 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.071 -0.304 -18.378 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.767 0.486 -19.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.472 0.279 -20.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.777 -1.027 -21.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.594 -1.292 -19.659 1.00 0.00 H new ATOM 784 N GLY A 55 -1.808 -2.130 -16.358 1.00 0.00 N ATOM 785 CA GLY A 55 -3.147 -2.675 -16.225 1.00 0.00 C ATOM 786 C GLY A 55 -3.912 -2.057 -15.072 1.00 0.00 C ATOM 787 O GLY A 55 -3.683 -0.902 -14.712 1.00 0.00 O ATOM 0 H GLY A 55 -1.770 -1.129 -16.552 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.697 -2.510 -17.152 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.084 -3.753 -16.079 1.00 0.00 H new ATOM 791 N LYS A 56 -4.826 -2.826 -14.491 1.00 0.00 N ATOM 792 CA LYS A 56 -5.630 -2.349 -13.372 1.00 0.00 C ATOM 793 C LYS A 56 -5.008 -2.760 -12.041 1.00 0.00 C ATOM 794 O LYS A 56 -4.449 -3.850 -11.918 1.00 0.00 O ATOM 795 CB LYS A 56 -7.056 -2.894 -13.471 1.00 0.00 C ATOM 796 CG LYS A 56 -7.652 -2.788 -14.864 1.00 0.00 C ATOM 797 CD LYS A 56 -8.425 -1.492 -15.043 1.00 0.00 C ATOM 798 CE LYS A 56 -7.518 -0.362 -15.506 1.00 0.00 C ATOM 799 NZ LYS A 56 -7.339 -0.365 -16.984 1.00 0.00 N ATOM 0 H LYS A 56 -5.029 -3.784 -14.777 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.661 -1.260 -13.418 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.059 -3.939 -13.162 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.692 -2.353 -12.771 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.856 -2.843 -15.606 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.314 -3.635 -15.043 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.223 -1.641 -15.770 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.899 -1.217 -14.101 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.939 0.593 -15.193 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.546 -0.455 -15.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.715 0.420 -17.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.913 -1.266 -17.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.264 -0.250 -17.446 1.00 0.00 H new ATOM 813 N TRP A 57 -5.112 -1.884 -11.049 1.00 0.00 N ATOM 814 CA TRP A 57 -4.561 -2.158 -9.726 1.00 0.00 C ATOM 815 C TRP A 57 -5.585 -1.860 -8.637 1.00 0.00 C ATOM 816 O TRP A 57 -6.115 -0.751 -8.557 1.00 0.00 O ATOM 817 CB TRP A 57 -3.297 -1.329 -9.496 1.00 0.00 C ATOM 818 CG TRP A 57 -2.623 -1.623 -8.190 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.636 -2.541 -7.966 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.887 -0.999 -6.929 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.272 -2.524 -6.641 1.00 0.00 N ATOM 822 CE2 TRP A 57 -2.024 -1.587 -5.984 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.768 0.000 -6.507 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -2.018 -1.208 -4.644 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.762 0.375 -5.177 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.891 -0.227 -4.258 1.00 0.00 C ATOM 0 H TRP A 57 -5.573 -0.978 -11.135 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.306 -3.217 -9.678 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.595 -1.516 -10.309 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.554 -0.270 -9.534 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.206 -3.185 -8.719 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.557 -3.114 -6.216 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.442 0.471 -7.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.348 -1.672 -3.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.440 1.145 -4.840 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.909 0.089 -3.226 1.00 0.00 H new ATOM 837 N TYR A 58 -5.860 -2.854 -7.801 1.00 0.00 N ATOM 838 CA TYR A 58 -6.823 -2.698 -6.717 1.00 0.00 C ATOM 839 C TYR A 58 -6.133 -2.780 -5.359 1.00 0.00 C ATOM 840 O TYR A 58 -5.465 -3.766 -5.047 1.00 0.00 O ATOM 841 CB TYR A 58 -7.910 -3.769 -6.815 1.00 0.00 C ATOM 842 CG TYR A 58 -8.933 -3.497 -7.895 1.00 0.00 C ATOM 843 CD1 TYR A 58 -10.065 -2.737 -7.632 1.00 0.00 C ATOM 844 CD2 TYR A 58 -8.765 -4.000 -9.179 1.00 0.00 C ATOM 845 CE1 TYR A 58 -11.002 -2.487 -8.615 1.00 0.00 C ATOM 846 CE2 TYR A 58 -9.696 -3.754 -10.170 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.813 -2.997 -9.883 1.00 0.00 C ATOM 848 OH TYR A 58 -11.744 -2.749 -10.866 1.00 0.00 O ATOM 0 H TYR A 58 -5.430 -3.777 -7.853 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.282 -1.714 -6.812 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.441 -4.734 -7.005 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.420 -3.846 -5.855 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.215 -2.334 -6.641 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.892 -4.593 -9.407 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.878 -1.896 -8.393 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.550 -4.152 -11.163 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.583 -1.863 -11.253 1.00 0.00 H new ATOM 858 N CYS A 59 -6.300 -1.736 -4.554 1.00 0.00 N ATOM 859 CA CYS A 59 -5.695 -1.687 -3.228 1.00 0.00 C ATOM 860 C CYS A 59 -5.897 -3.007 -2.489 1.00 0.00 C ATOM 861 O CYS A 59 -6.830 -3.762 -2.760 1.00 0.00 O ATOM 862 CB CYS A 59 -6.292 -0.537 -2.414 1.00 0.00 C ATOM 863 SG CYS A 59 -7.940 -0.892 -1.725 1.00 0.00 S ATOM 0 H CYS A 59 -6.850 -0.912 -4.797 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.625 -1.519 -3.350 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.613 -0.293 -1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.358 0.347 -3.048 1.00 0.00 H new ATOM 868 N PRO A 60 -5.001 -3.292 -1.533 1.00 0.00 N ATOM 869 CA PRO A 60 -5.059 -4.520 -0.734 1.00 0.00 C ATOM 870 C PRO A 60 -6.239 -4.527 0.232 1.00 0.00 C ATOM 871 O PRO A 60 -6.425 -5.476 0.994 1.00 0.00 O ATOM 872 CB PRO A 60 -3.737 -4.505 0.037 1.00 0.00 C ATOM 873 CG PRO A 60 -3.359 -3.066 0.113 1.00 0.00 C ATOM 874 CD PRO A 60 -3.861 -2.438 -1.157 1.00 0.00 C ATOM 0 HA PRO A 60 -5.195 -5.405 -1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.854 -4.937 1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.973 -5.089 -0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.806 -2.591 0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.279 -2.951 0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.168 -1.404 -1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.094 -2.428 -1.931 1.00 0.00 H new ATOM 882 N LYS A 61 -7.034 -3.464 0.195 1.00 0.00 N ATOM 883 CA LYS A 61 -8.198 -3.348 1.066 1.00 0.00 C ATOM 884 C LYS A 61 -9.473 -3.736 0.324 1.00 0.00 C ATOM 885 O LYS A 61 -10.452 -4.167 0.935 1.00 0.00 O ATOM 886 CB LYS A 61 -8.321 -1.919 1.600 1.00 0.00 C ATOM 887 CG LYS A 61 -7.594 -1.696 2.915 1.00 0.00 C ATOM 888 CD LYS A 61 -7.913 -0.333 3.504 1.00 0.00 C ATOM 889 CE LYS A 61 -7.391 -0.205 4.927 1.00 0.00 C ATOM 890 NZ LYS A 61 -8.286 -0.877 5.909 1.00 0.00 N ATOM 0 H LYS A 61 -6.894 -2.670 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.063 -4.032 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.928 -1.227 0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.376 -1.679 1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.875 -2.475 3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.519 -1.782 2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.472 0.446 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.991 -0.175 3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.393 -0.640 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.295 0.850 5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.895 -0.767 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.231 -0.445 5.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.357 -1.889 5.678 1.00 0.00 H new ATOM 904 N CYS A 62 -9.455 -3.582 -0.995 1.00 0.00 N ATOM 905 CA CYS A 62 -10.609 -3.918 -1.821 1.00 0.00 C ATOM 906 C CYS A 62 -10.477 -5.326 -2.394 1.00 0.00 C ATOM 907 O CYS A 62 -11.468 -6.040 -2.547 1.00 0.00 O ATOM 908 CB CYS A 62 -10.761 -2.905 -2.957 1.00 0.00 C ATOM 909 SG CYS A 62 -11.150 -1.214 -2.400 1.00 0.00 S ATOM 0 H CYS A 62 -8.653 -3.226 -1.516 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.498 -3.884 -1.191 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.837 -2.882 -3.535 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.549 -3.245 -3.629 1.00 0.00 H new ATOM 914 N ARG A 63 -9.247 -5.718 -2.709 1.00 0.00 N ATOM 915 CA ARG A 63 -8.985 -7.039 -3.266 1.00 0.00 C ATOM 916 C ARG A 63 -8.910 -8.089 -2.162 1.00 0.00 C ATOM 917 O ARG A 63 -8.285 -9.136 -2.328 1.00 0.00 O ATOM 918 CB ARG A 63 -7.681 -7.030 -4.065 1.00 0.00 C ATOM 919 CG ARG A 63 -6.439 -6.868 -3.203 1.00 0.00 C ATOM 920 CD ARG A 63 -5.186 -6.725 -4.052 1.00 0.00 C ATOM 921 NE ARG A 63 -4.867 -7.956 -4.769 1.00 0.00 N ATOM 922 CZ ARG A 63 -3.647 -8.264 -5.193 1.00 0.00 C ATOM 923 NH1 ARG A 63 -2.636 -7.435 -4.974 1.00 0.00 N ATOM 924 NH2 ARG A 63 -3.436 -9.404 -5.839 1.00 0.00 N ATOM 0 H ARG A 63 -8.416 -5.139 -2.588 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.809 -7.295 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.603 -7.960 -4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.716 -6.219 -4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.549 -5.991 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.337 -7.730 -2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.324 -5.914 -4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.346 -6.449 -3.415 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.623 -8.616 -4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.794 -6.558 -4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.700 -7.675 -5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.211 -10.044 -6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.499 -9.640 -6.164 1.00 0.00 H new ATOM 938 N GLY A 64 -9.552 -7.801 -1.033 1.00 0.00 N ATOM 939 CA GLY A 64 -9.545 -8.730 0.082 1.00 0.00 C ATOM 940 C GLY A 64 -10.489 -9.897 -0.130 1.00 0.00 C ATOM 941 O GLY A 64 -11.689 -9.705 -0.332 1.00 0.00 O ATOM 0 H GLY A 64 -10.076 -6.941 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.533 -9.107 0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.825 -8.201 0.993 1.00 0.00 H new ATOM 945 N ASP A 65 -9.948 -11.109 -0.084 1.00 0.00 N ATOM 946 CA ASP A 65 -10.751 -12.312 -0.273 1.00 0.00 C ATOM 947 C ASP A 65 -10.104 -13.510 0.415 1.00 0.00 C ATOM 948 O ASP A 65 -8.901 -13.516 0.672 1.00 0.00 O ATOM 949 CB ASP A 65 -10.932 -12.601 -1.764 1.00 0.00 C ATOM 950 CG ASP A 65 -11.910 -13.731 -2.020 1.00 0.00 C ATOM 951 OD1 ASP A 65 -12.887 -13.856 -1.253 1.00 0.00 O ATOM 952 OD2 ASP A 65 -11.698 -14.491 -2.989 1.00 0.00 O ATOM 0 H ASP A 65 -8.957 -11.285 0.082 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.729 -12.141 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.283 -11.699 -2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.966 -12.854 -2.202 1.00 0.00 H new ATOM 957 N SER A 66 -10.913 -14.523 0.711 1.00 0.00 N ATOM 958 CA SER A 66 -10.421 -15.725 1.375 1.00 0.00 C ATOM 959 C SER A 66 -10.032 -16.789 0.353 1.00 0.00 C ATOM 960 O SER A 66 -10.816 -17.133 -0.531 1.00 0.00 O ATOM 961 CB SER A 66 -11.483 -16.279 2.326 1.00 0.00 C ATOM 962 OG SER A 66 -10.979 -17.375 3.070 1.00 0.00 O ATOM 0 H SER A 66 -11.911 -14.535 0.502 1.00 0.00 H new ATOM 0 HA SER A 66 -9.534 -15.456 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.811 -15.494 3.007 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.357 -16.593 1.756 1.00 0.00 H new ATOM 0 HG SER A 66 -11.676 -17.710 3.672 1.00 0.00 H new ATOM 968 N GLY A 67 -8.814 -17.307 0.481 1.00 0.00 N ATOM 969 CA GLY A 67 -8.341 -18.326 -0.437 1.00 0.00 C ATOM 970 C GLY A 67 -6.939 -18.799 -0.107 1.00 0.00 C ATOM 971 O GLY A 67 -6.705 -19.979 0.157 1.00 0.00 O ATOM 0 H GLY A 67 -8.147 -17.039 1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.023 -19.176 -0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.358 -17.931 -1.453 1.00 0.00 H new ATOM 975 N PRO A 68 -5.977 -17.865 -0.120 1.00 0.00 N ATOM 976 CA PRO A 68 -4.574 -18.169 0.177 1.00 0.00 C ATOM 977 C PRO A 68 -4.354 -18.514 1.646 1.00 0.00 C ATOM 978 O PRO A 68 -3.333 -19.096 2.010 1.00 0.00 O ATOM 979 CB PRO A 68 -3.846 -16.871 -0.182 1.00 0.00 C ATOM 980 CG PRO A 68 -4.878 -15.806 -0.037 1.00 0.00 C ATOM 981 CD PRO A 68 -6.185 -16.439 -0.426 1.00 0.00 C ATOM 0 HA PRO A 68 -4.220 -19.039 -0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -3.000 -16.695 0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.453 -16.906 -1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.914 -15.435 0.987 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.652 -14.954 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.018 -16.023 0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.409 -16.283 -1.481 1.00 0.00 H new ATOM 989 N SER A 69 -5.320 -18.152 2.485 1.00 0.00 N ATOM 990 CA SER A 69 -5.230 -18.421 3.915 1.00 0.00 C ATOM 991 C SER A 69 -5.737 -19.824 4.237 1.00 0.00 C ATOM 992 O SER A 69 -6.837 -20.205 3.839 1.00 0.00 O ATOM 993 CB SER A 69 -6.032 -17.383 4.702 1.00 0.00 C ATOM 994 OG SER A 69 -7.421 -17.660 4.642 1.00 0.00 O ATOM 0 H SER A 69 -6.173 -17.672 2.199 1.00 0.00 H new ATOM 0 HA SER A 69 -4.182 -18.357 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.704 -17.377 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.839 -16.388 4.300 1.00 0.00 H new ATOM 0 HG SER A 69 -7.558 -18.577 4.324 1.00 0.00 H new ATOM 1000 N SER A 70 -4.925 -20.588 4.961 1.00 0.00 N ATOM 1001 CA SER A 70 -5.288 -21.950 5.334 1.00 0.00 C ATOM 1002 C SER A 70 -5.950 -21.979 6.708 1.00 0.00 C ATOM 1003 O SER A 70 -5.905 -21.000 7.452 1.00 0.00 O ATOM 1004 CB SER A 70 -4.050 -22.849 5.333 1.00 0.00 C ATOM 1005 OG SER A 70 -4.413 -24.217 5.275 1.00 0.00 O ATOM 0 H SER A 70 -4.012 -20.287 5.301 1.00 0.00 H new ATOM 0 HA SER A 70 -6.000 -22.324 4.599 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.417 -22.601 4.481 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.461 -22.664 6.231 1.00 0.00 H new ATOM 0 HG SER A 70 -3.604 -24.770 5.274 1.00 0.00 H new ATOM 1011 N GLY A 71 -6.565 -23.110 7.038 1.00 0.00 N ATOM 1012 CA GLY A 71 -7.228 -23.247 8.322 1.00 0.00 C ATOM 1013 C GLY A 71 -6.376 -23.980 9.340 1.00 0.00 C ATOM 1014 O GLY A 71 -6.907 -24.423 10.357 1.00 0.00 O ATOM 0 H GLY A 71 -6.616 -23.934 6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.477 -22.258 8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.168 -23.782 8.187 1.00 0.00 H new TER 1018 GLY A 71 HETATM 1019 ZN ZN A 201 2.467 4.102 2.783 1.00 0.00 ZN HETATM 1020 ZN ZN A 401 -9.478 0.282 -3.030 1.00 0.00 ZN