USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 365 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot 22:sc= 0.0976 USER MOD Set 1.2: A 33 ASN : amide:sc= -5.04! K(o=-4.9!,f=-1.9) USER MOD Set 2.1: A 6 ASN : amide:sc= -8.48! C(o=-11!,f=-12!) USER MOD Set 2.2: A 40 ASN : amide:sc= -2.52 K(o=-11,f=-12!) USER MOD Single : A 1 ASP N :NH3+ -166:sc= 0 (180deg=-0.235) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 11 THR OG1 : rot -22:sc= 0.449 USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0.639 (180deg=0.636) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.395) USER MOD Single : A 16 TYR OH : rot -108:sc= -0.234 USER MOD Single : A 18 SER OG : rot 92:sc= 0.73 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0434 USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= 0.516 (180deg=-0.0379) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 8.862 9.369 -13.889 1.00 0.00 N ATOM 2 CA ASP A 1 10.353 9.321 -13.896 1.00 0.00 C ATOM 3 C ASP A 1 10.812 7.859 -13.870 1.00 0.00 C ATOM 4 O ASP A 1 11.576 7.429 -14.712 1.00 0.00 O ATOM 5 CB ASP A 1 10.917 10.053 -12.658 1.00 0.00 C ATOM 6 CG ASP A 1 10.361 11.488 -12.611 1.00 0.00 C ATOM 7 OD1 ASP A 1 10.992 12.338 -13.218 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.333 11.650 -11.971 1.00 0.00 O ATOM 0 H1 ASP A 1 8.544 10.326 -14.143 1.00 0.00 H new ATOM 0 H2 ASP A 1 8.489 8.686 -14.579 1.00 0.00 H new ATOM 0 H3 ASP A 1 8.511 9.129 -12.940 1.00 0.00 H new ATOM 0 HA ASP A 1 10.720 9.812 -14.798 1.00 0.00 H new ATOM 0 HB2 ASP A 1 10.644 9.516 -11.749 1.00 0.00 H new ATOM 0 HB3 ASP A 1 12.006 10.075 -12.700 1.00 0.00 H new ATOM 15 N ARG A 2 10.317 7.149 -12.888 1.00 0.00 N ATOM 16 CA ARG A 2 10.659 5.702 -12.708 1.00 0.00 C ATOM 17 C ARG A 2 9.489 4.986 -12.016 1.00 0.00 C ATOM 18 O ARG A 2 8.484 5.598 -11.707 1.00 0.00 O ATOM 19 CB ARG A 2 11.943 5.592 -11.840 1.00 0.00 C ATOM 20 CG ARG A 2 13.205 5.421 -12.734 1.00 0.00 C ATOM 21 CD ARG A 2 13.854 4.033 -12.509 1.00 0.00 C ATOM 22 NE ARG A 2 13.495 3.143 -13.655 1.00 0.00 N ATOM 23 CZ ARG A 2 12.389 2.448 -13.627 1.00 0.00 C ATOM 24 NH1 ARG A 2 12.344 1.359 -12.911 1.00 0.00 N ATOM 25 NH2 ARG A 2 11.365 2.867 -14.318 1.00 0.00 N ATOM 0 H ARG A 2 9.675 7.519 -12.187 1.00 0.00 H new ATOM 0 HA ARG A 2 10.837 5.234 -13.676 1.00 0.00 H new ATOM 0 HB2 ARG A 2 12.048 6.485 -11.223 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.856 4.744 -11.161 1.00 0.00 H new ATOM 0 HG2 ARG A 2 12.931 5.534 -13.783 1.00 0.00 H new ATOM 0 HG3 ARG A 2 13.926 6.206 -12.507 1.00 0.00 H new ATOM 0 HD2 ARG A 2 14.937 4.131 -12.432 1.00 0.00 H new ATOM 0 HD3 ARG A 2 13.505 3.601 -11.571 1.00 0.00 H new ATOM 0 HE ARG A 2 14.116 3.078 -14.462 1.00 0.00 H new ATOM 0 HH11 ARG A 2 13.165 1.061 -12.384 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.488 0.805 -12.878 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.436 3.723 -14.867 1.00 0.00 H new ATOM 0 HH22 ARG A 2 10.493 2.338 -14.309 1.00 0.00 H new ATOM 39 N ILE A 3 9.659 3.704 -11.797 1.00 0.00 N ATOM 40 CA ILE A 3 8.601 2.883 -11.130 1.00 0.00 C ATOM 41 C ILE A 3 8.252 3.484 -9.755 1.00 0.00 C ATOM 42 O ILE A 3 9.099 3.592 -8.889 1.00 0.00 O ATOM 43 CB ILE A 3 9.130 1.414 -10.990 1.00 0.00 C ATOM 44 CG1 ILE A 3 8.096 0.514 -10.247 1.00 0.00 C ATOM 45 CG2 ILE A 3 10.477 1.369 -10.222 1.00 0.00 C ATOM 46 CD1 ILE A 3 6.771 0.459 -11.033 1.00 0.00 C ATOM 0 H ILE A 3 10.498 3.185 -12.056 1.00 0.00 H new ATOM 0 HA ILE A 3 7.689 2.881 -11.727 1.00 0.00 H new ATOM 0 HB ILE A 3 9.281 1.035 -12.001 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.498 -0.492 -10.129 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.917 0.905 -9.246 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.816 0.336 -10.142 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.222 1.955 -10.760 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.341 1.784 -9.223 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.059 -0.173 -10.502 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.363 1.465 -11.128 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.953 0.046 -12.025 1.00 0.00 H new ATOM 58 N CYS A 4 7.006 3.861 -9.609 1.00 0.00 N ATOM 59 CA CYS A 4 6.522 4.461 -8.334 1.00 0.00 C ATOM 60 C CYS A 4 5.321 3.737 -7.715 1.00 0.00 C ATOM 61 O CYS A 4 4.344 4.338 -7.311 1.00 0.00 O ATOM 62 CB CYS A 4 6.223 5.943 -8.647 1.00 0.00 C ATOM 63 SG CYS A 4 7.639 7.022 -8.335 1.00 0.00 S ATOM 0 H CYS A 4 6.294 3.775 -10.334 1.00 0.00 H new ATOM 0 HA CYS A 4 7.288 4.361 -7.565 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.924 6.036 -9.691 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.379 6.275 -8.042 1.00 0.00 H new ATOM 68 N THR A 5 5.451 2.435 -7.660 1.00 0.00 N ATOM 69 CA THR A 5 4.364 1.591 -7.073 1.00 0.00 C ATOM 70 C THR A 5 4.669 1.478 -5.591 1.00 0.00 C ATOM 71 O THR A 5 5.814 1.339 -5.219 1.00 0.00 O ATOM 72 CB THR A 5 4.351 0.171 -7.665 1.00 0.00 C ATOM 73 OG1 THR A 5 5.661 -0.101 -8.148 1.00 0.00 O ATOM 74 CG2 THR A 5 3.424 0.130 -8.876 1.00 0.00 C ATOM 0 H THR A 5 6.264 1.919 -7.997 1.00 0.00 H new ATOM 0 HA THR A 5 3.397 2.047 -7.283 1.00 0.00 H new ATOM 0 HB THR A 5 4.025 -0.542 -6.908 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.688 -1.002 -8.532 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.416 -0.877 -9.294 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.414 0.404 -8.571 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.779 0.833 -9.630 1.00 0.00 H new ATOM 82 N ASN A 6 3.645 1.536 -4.790 1.00 0.00 N ATOM 83 CA ASN A 6 3.846 1.435 -3.307 1.00 0.00 C ATOM 84 C ASN A 6 2.545 1.042 -2.601 1.00 0.00 C ATOM 85 O ASN A 6 1.476 1.160 -3.167 1.00 0.00 O ATOM 86 CB ASN A 6 4.350 2.793 -2.781 1.00 0.00 C ATOM 87 CG ASN A 6 3.355 3.897 -3.113 1.00 0.00 C ATOM 88 OD1 ASN A 6 3.078 4.195 -4.258 1.00 0.00 O ATOM 89 ND2 ASN A 6 2.801 4.527 -2.120 1.00 0.00 N ATOM 0 H ASN A 6 2.677 1.649 -5.090 1.00 0.00 H new ATOM 0 HA ASN A 6 4.582 0.659 -3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.496 2.740 -1.702 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.319 3.024 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.131 5.275 -2.300 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.036 4.274 -1.160 1.00 0.00 H new ATOM 96 N CYS A 7 2.687 0.595 -1.378 1.00 0.00 N ATOM 97 CA CYS A 7 1.516 0.161 -0.549 1.00 0.00 C ATOM 98 C CYS A 7 0.491 1.270 -0.291 1.00 0.00 C ATOM 99 O CYS A 7 -0.629 1.000 0.097 1.00 0.00 O ATOM 100 CB CYS A 7 2.056 -0.381 0.788 1.00 0.00 C ATOM 101 SG CYS A 7 0.881 -0.672 2.135 1.00 0.00 S ATOM 0 H CYS A 7 3.588 0.510 -0.907 1.00 0.00 H new ATOM 0 HA CYS A 7 0.980 -0.605 -1.109 1.00 0.00 H new ATOM 0 HB2 CYS A 7 2.566 -1.322 0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.810 0.318 1.150 1.00 0.00 H new ATOM 106 N CYS A 8 0.906 2.487 -0.510 1.00 0.00 N ATOM 107 CA CYS A 8 0.000 3.650 -0.295 1.00 0.00 C ATOM 108 C CYS A 8 -0.786 4.067 -1.554 1.00 0.00 C ATOM 109 O CYS A 8 -1.969 4.334 -1.476 1.00 0.00 O ATOM 110 CB CYS A 8 0.868 4.790 0.209 1.00 0.00 C ATOM 111 SG CYS A 8 0.128 6.028 1.296 1.00 0.00 S ATOM 0 H CYS A 8 1.843 2.728 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.769 3.374 0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.716 4.352 0.736 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.268 5.311 -0.661 1.00 0.00 H new ATOM 116 N ALA A 9 -0.105 4.109 -2.673 1.00 0.00 N ATOM 117 CA ALA A 9 -0.756 4.511 -3.968 1.00 0.00 C ATOM 118 C ALA A 9 -1.412 3.385 -4.801 1.00 0.00 C ATOM 119 O ALA A 9 -1.251 3.349 -6.007 1.00 0.00 O ATOM 120 CB ALA A 9 0.315 5.227 -4.819 1.00 0.00 C ATOM 0 H ALA A 9 0.886 3.880 -2.749 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.597 5.148 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.121 5.535 -5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.677 6.105 -4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.147 4.547 -5.005 1.00 0.00 H new ATOM 126 N GLY A 10 -2.137 2.497 -4.164 1.00 0.00 N ATOM 127 CA GLY A 10 -2.801 1.385 -4.922 1.00 0.00 C ATOM 128 C GLY A 10 -4.296 1.595 -5.153 1.00 0.00 C ATOM 129 O GLY A 10 -4.702 2.544 -5.795 1.00 0.00 O ATOM 0 H GLY A 10 -2.298 2.492 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.307 1.272 -5.887 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.656 0.451 -4.378 1.00 0.00 H new ATOM 133 N THR A 11 -5.058 0.681 -4.600 1.00 0.00 N ATOM 134 CA THR A 11 -6.549 0.703 -4.719 1.00 0.00 C ATOM 135 C THR A 11 -7.105 -0.168 -3.599 1.00 0.00 C ATOM 136 O THR A 11 -6.705 -1.308 -3.485 1.00 0.00 O ATOM 137 CB THR A 11 -7.006 0.108 -6.080 1.00 0.00 C ATOM 138 OG1 THR A 11 -6.303 0.828 -7.081 1.00 0.00 O ATOM 139 CG2 THR A 11 -8.485 0.429 -6.371 1.00 0.00 C ATOM 0 H THR A 11 -4.696 -0.102 -4.055 1.00 0.00 H new ATOM 0 HA THR A 11 -6.907 1.730 -4.654 1.00 0.00 H new ATOM 0 HB THR A 11 -6.839 -0.969 -6.062 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.012 1.691 -6.719 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.769 -0.003 -7.331 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.110 0.008 -5.584 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.623 1.510 -6.404 1.00 0.00 H new ATOM 147 N LYS A 12 -8.000 0.370 -2.810 1.00 0.00 N ATOM 148 CA LYS A 12 -8.598 -0.421 -1.688 1.00 0.00 C ATOM 149 C LYS A 12 -9.158 -1.754 -2.235 1.00 0.00 C ATOM 150 O LYS A 12 -10.209 -1.781 -2.848 1.00 0.00 O ATOM 151 CB LYS A 12 -9.706 0.451 -1.052 1.00 0.00 C ATOM 152 CG LYS A 12 -10.567 -0.324 -0.022 1.00 0.00 C ATOM 153 CD LYS A 12 -9.715 -0.773 1.195 1.00 0.00 C ATOM 154 CE LYS A 12 -9.844 -2.295 1.387 1.00 0.00 C ATOM 155 NZ LYS A 12 -8.809 -2.768 2.346 1.00 0.00 N ATOM 0 H LYS A 12 -8.345 1.326 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.855 -0.672 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.248 1.310 -0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.352 0.839 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.388 0.307 0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.013 -1.197 -0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.670 -0.504 1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.047 -0.254 2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.838 -2.542 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.727 -2.803 0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.876 -3.801 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.865 -2.516 1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.962 -2.318 3.271 1.00 0.00 H new ATOM 169 N GLY A 13 -8.420 -2.811 -1.992 1.00 0.00 N ATOM 170 CA GLY A 13 -8.821 -4.177 -2.457 1.00 0.00 C ATOM 171 C GLY A 13 -7.671 -4.933 -3.148 1.00 0.00 C ATOM 172 O GLY A 13 -7.673 -6.149 -3.157 1.00 0.00 O ATOM 0 H GLY A 13 -7.538 -2.783 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.171 -4.758 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.659 -4.089 -3.148 1.00 0.00 H new ATOM 176 N CYS A 14 -6.722 -4.213 -3.702 1.00 0.00 N ATOM 177 CA CYS A 14 -5.570 -4.875 -4.396 1.00 0.00 C ATOM 178 C CYS A 14 -4.447 -5.165 -3.396 1.00 0.00 C ATOM 179 O CYS A 14 -3.949 -4.271 -2.742 1.00 0.00 O ATOM 180 CB CYS A 14 -5.065 -3.952 -5.508 1.00 0.00 C ATOM 181 SG CYS A 14 -6.169 -3.667 -6.914 1.00 0.00 S ATOM 0 H CYS A 14 -6.696 -3.193 -3.703 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.896 -5.821 -4.827 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.829 -2.985 -5.063 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.131 -4.364 -5.890 1.00 0.00 H new ATOM 186 N LYS A 15 -4.080 -6.416 -3.313 1.00 0.00 N ATOM 187 CA LYS A 15 -2.999 -6.837 -2.372 1.00 0.00 C ATOM 188 C LYS A 15 -1.612 -6.474 -2.912 1.00 0.00 C ATOM 189 O LYS A 15 -1.081 -7.182 -3.744 1.00 0.00 O ATOM 190 CB LYS A 15 -3.100 -8.373 -2.154 1.00 0.00 C ATOM 191 CG LYS A 15 -4.548 -8.808 -1.819 1.00 0.00 C ATOM 192 CD LYS A 15 -4.955 -8.346 -0.396 1.00 0.00 C ATOM 193 CE LYS A 15 -6.465 -8.036 -0.351 1.00 0.00 C ATOM 194 NZ LYS A 15 -7.247 -9.159 -0.943 1.00 0.00 N ATOM 0 H LYS A 15 -4.487 -7.173 -3.863 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.130 -6.310 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.762 -8.891 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.434 -8.671 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.236 -8.387 -2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.631 -9.893 -1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.714 -9.123 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.385 -7.460 -0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.778 -7.871 0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.670 -7.115 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.240 -9.088 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.197 -9.108 -1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.851 -10.065 -0.621 1.00 0.00 H new ATOM 208 N TYR A 16 -1.063 -5.382 -2.429 1.00 0.00 N ATOM 209 CA TYR A 16 0.295 -4.944 -2.892 1.00 0.00 C ATOM 210 C TYR A 16 1.255 -6.105 -2.673 1.00 0.00 C ATOM 211 O TYR A 16 1.324 -6.641 -1.587 1.00 0.00 O ATOM 212 CB TYR A 16 0.826 -3.783 -2.078 1.00 0.00 C ATOM 213 CG TYR A 16 -0.104 -2.579 -2.116 1.00 0.00 C ATOM 214 CD1 TYR A 16 0.009 -1.616 -3.095 1.00 0.00 C ATOM 215 CD2 TYR A 16 -1.057 -2.432 -1.140 1.00 0.00 C ATOM 216 CE1 TYR A 16 -0.825 -0.519 -3.083 1.00 0.00 C ATOM 217 CE2 TYR A 16 -1.882 -1.339 -1.133 1.00 0.00 C ATOM 218 CZ TYR A 16 -1.779 -0.376 -2.095 1.00 0.00 C ATOM 219 OH TYR A 16 -2.633 0.706 -2.031 1.00 0.00 O ATOM 0 H TYR A 16 -1.497 -4.775 -1.734 1.00 0.00 H new ATOM 0 HA TYR A 16 0.215 -4.641 -3.936 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.965 -4.100 -1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.806 -3.494 -2.457 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.752 -1.721 -3.872 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.157 -3.184 -0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.732 0.234 -3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.625 -1.237 -0.355 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.379 1.279 -1.278 1.00 0.00 H new ATOM 229 N PHE A 17 1.965 -6.456 -3.705 1.00 0.00 N ATOM 230 CA PHE A 17 2.925 -7.578 -3.602 1.00 0.00 C ATOM 231 C PHE A 17 4.167 -7.315 -4.465 1.00 0.00 C ATOM 232 O PHE A 17 4.150 -6.545 -5.411 1.00 0.00 O ATOM 233 CB PHE A 17 2.083 -8.807 -4.004 1.00 0.00 C ATOM 234 CG PHE A 17 2.862 -9.939 -4.656 1.00 0.00 C ATOM 235 CD1 PHE A 17 3.369 -9.790 -5.926 1.00 0.00 C ATOM 236 CD2 PHE A 17 3.049 -11.126 -3.980 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.056 -10.818 -6.516 1.00 0.00 C ATOM 238 CE2 PHE A 17 3.736 -12.157 -4.567 1.00 0.00 C ATOM 239 CZ PHE A 17 4.243 -12.002 -5.841 1.00 0.00 C ATOM 0 H PHE A 17 1.919 -6.009 -4.621 1.00 0.00 H new ATOM 0 HA PHE A 17 3.353 -7.726 -2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.586 -9.194 -3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.301 -8.483 -4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.225 -8.862 -6.459 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.652 -11.244 -2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.452 -10.699 -7.514 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.880 -13.086 -4.035 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.786 -12.810 -6.308 1.00 0.00 H new ATOM 249 N SER A 18 5.209 -8.003 -4.070 1.00 0.00 N ATOM 250 CA SER A 18 6.532 -7.912 -4.747 1.00 0.00 C ATOM 251 C SER A 18 6.787 -9.146 -5.622 1.00 0.00 C ATOM 252 O SER A 18 6.629 -10.271 -5.184 1.00 0.00 O ATOM 253 CB SER A 18 7.635 -7.806 -3.689 1.00 0.00 C ATOM 254 OG SER A 18 8.837 -7.798 -4.450 1.00 0.00 O ATOM 0 H SER A 18 5.192 -8.645 -3.278 1.00 0.00 H new ATOM 0 HA SER A 18 6.535 -7.028 -5.385 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.532 -6.899 -3.094 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.606 -8.647 -2.996 1.00 0.00 H new ATOM 0 HG SER A 18 9.088 -6.873 -4.655 1.00 0.00 H new ATOM 260 N ASP A 19 7.190 -8.851 -6.830 1.00 0.00 N ATOM 261 CA ASP A 19 7.509 -9.869 -7.885 1.00 0.00 C ATOM 262 C ASP A 19 8.348 -11.060 -7.401 1.00 0.00 C ATOM 263 O ASP A 19 8.290 -12.121 -7.992 1.00 0.00 O ATOM 264 CB ASP A 19 8.271 -9.177 -9.027 1.00 0.00 C ATOM 265 CG ASP A 19 9.530 -8.493 -8.450 1.00 0.00 C ATOM 266 OD1 ASP A 19 9.390 -7.370 -7.993 1.00 0.00 O ATOM 267 OD2 ASP A 19 10.564 -9.139 -8.497 1.00 0.00 O ATOM 0 H ASP A 19 7.319 -7.890 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 19 6.550 -10.277 -8.204 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.553 -9.906 -9.787 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.632 -8.440 -9.514 1.00 0.00 H new ATOM 272 N ASP A 20 9.100 -10.853 -6.348 1.00 0.00 N ATOM 273 CA ASP A 20 9.961 -11.949 -5.798 1.00 0.00 C ATOM 274 C ASP A 20 9.147 -13.194 -5.402 1.00 0.00 C ATOM 275 O ASP A 20 9.690 -14.277 -5.301 1.00 0.00 O ATOM 276 CB ASP A 20 10.732 -11.399 -4.567 1.00 0.00 C ATOM 277 CG ASP A 20 9.839 -10.585 -3.601 1.00 0.00 C ATOM 278 OD1 ASP A 20 8.673 -10.917 -3.475 1.00 0.00 O ATOM 279 OD2 ASP A 20 10.386 -9.655 -3.031 1.00 0.00 O ATOM 0 H ASP A 20 9.156 -9.969 -5.843 1.00 0.00 H new ATOM 0 HA ASP A 20 10.654 -12.265 -6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.178 -12.232 -4.024 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.551 -10.768 -4.912 1.00 0.00 H new ATOM 284 N GLY A 21 7.872 -12.987 -5.189 1.00 0.00 N ATOM 285 CA GLY A 21 6.947 -14.092 -4.797 1.00 0.00 C ATOM 286 C GLY A 21 6.554 -13.886 -3.338 1.00 0.00 C ATOM 287 O GLY A 21 6.353 -14.846 -2.621 1.00 0.00 O ATOM 0 H GLY A 21 7.424 -12.075 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.062 -14.091 -5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.433 -15.059 -4.927 1.00 0.00 H new ATOM 291 N THR A 22 6.460 -12.637 -2.941 1.00 0.00 N ATOM 292 CA THR A 22 6.086 -12.319 -1.530 1.00 0.00 C ATOM 293 C THR A 22 5.126 -11.128 -1.442 1.00 0.00 C ATOM 294 O THR A 22 5.303 -10.128 -2.106 1.00 0.00 O ATOM 295 CB THR A 22 7.374 -12.008 -0.763 1.00 0.00 C ATOM 296 OG1 THR A 22 8.210 -13.142 -0.950 1.00 0.00 O ATOM 297 CG2 THR A 22 7.152 -11.941 0.758 1.00 0.00 C ATOM 0 H THR A 22 6.627 -11.826 -3.536 1.00 0.00 H new ATOM 0 HA THR A 22 5.567 -13.175 -1.099 1.00 0.00 H new ATOM 0 HB THR A 22 7.769 -11.056 -1.117 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.059 -13.004 -0.480 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.097 -11.718 1.254 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.429 -11.158 0.986 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.773 -12.899 1.113 1.00 0.00 H new ATOM 305 N PHE A 23 4.128 -11.285 -0.612 1.00 0.00 N ATOM 306 CA PHE A 23 3.106 -10.218 -0.401 1.00 0.00 C ATOM 307 C PHE A 23 3.790 -9.079 0.371 1.00 0.00 C ATOM 308 O PHE A 23 4.685 -9.320 1.160 1.00 0.00 O ATOM 309 CB PHE A 23 1.964 -10.881 0.368 1.00 0.00 C ATOM 310 CG PHE A 23 1.040 -9.875 1.087 1.00 0.00 C ATOM 311 CD1 PHE A 23 1.352 -9.406 2.353 1.00 0.00 C ATOM 312 CD2 PHE A 23 -0.123 -9.436 0.480 1.00 0.00 C ATOM 313 CE1 PHE A 23 0.517 -8.515 2.996 1.00 0.00 C ATOM 314 CE2 PHE A 23 -0.956 -8.547 1.125 1.00 0.00 C ATOM 315 CZ PHE A 23 -0.639 -8.085 2.383 1.00 0.00 C ATOM 0 H PHE A 23 3.976 -12.128 -0.059 1.00 0.00 H new ATOM 0 HA PHE A 23 2.701 -9.786 -1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.370 -11.478 -0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.383 -11.568 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.256 -9.740 2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.380 -9.792 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.771 -8.154 3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.861 -8.211 0.641 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.294 -7.389 2.886 1.00 0.00 H new ATOM 325 N VAL A 24 3.347 -7.875 0.120 1.00 0.00 N ATOM 326 CA VAL A 24 3.928 -6.674 0.795 1.00 0.00 C ATOM 327 C VAL A 24 2.904 -6.046 1.758 1.00 0.00 C ATOM 328 O VAL A 24 3.211 -5.802 2.909 1.00 0.00 O ATOM 329 CB VAL A 24 4.361 -5.690 -0.336 1.00 0.00 C ATOM 330 CG1 VAL A 24 5.056 -4.453 0.256 1.00 0.00 C ATOM 331 CG2 VAL A 24 5.369 -6.391 -1.294 1.00 0.00 C ATOM 0 H VAL A 24 2.594 -7.669 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 24 4.791 -6.936 1.407 1.00 0.00 H new ATOM 0 HB VAL A 24 3.464 -5.388 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.350 -3.780 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.370 -3.937 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.942 -4.764 0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.666 -5.697 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.250 -6.701 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.898 -7.266 -1.741 1.00 0.00 H new ATOM 341 N CYS A 25 1.719 -5.807 1.253 1.00 0.00 N ATOM 342 CA CYS A 25 0.613 -5.199 2.066 1.00 0.00 C ATOM 343 C CYS A 25 -0.714 -5.307 1.301 1.00 0.00 C ATOM 344 O CYS A 25 -0.737 -5.716 0.158 1.00 0.00 O ATOM 345 CB CYS A 25 0.930 -3.714 2.373 1.00 0.00 C ATOM 346 SG CYS A 25 -0.057 -2.390 1.635 1.00 0.00 S ATOM 0 H CYS A 25 1.463 -6.012 0.287 1.00 0.00 H new ATOM 0 HA CYS A 25 0.527 -5.740 3.008 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.875 -3.591 3.455 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.967 -3.541 2.085 1.00 0.00 H new ATOM 351 N GLU A 26 -1.781 -4.936 1.959 1.00 0.00 N ATOM 352 CA GLU A 26 -3.152 -4.990 1.351 1.00 0.00 C ATOM 353 C GLU A 26 -3.597 -3.640 0.780 1.00 0.00 C ATOM 354 O GLU A 26 -3.151 -2.620 1.264 1.00 0.00 O ATOM 355 CB GLU A 26 -4.136 -5.412 2.433 1.00 0.00 C ATOM 356 CG GLU A 26 -4.157 -6.946 2.635 1.00 0.00 C ATOM 357 CD GLU A 26 -4.075 -7.269 4.139 1.00 0.00 C ATOM 358 OE1 GLU A 26 -2.990 -7.111 4.673 1.00 0.00 O ATOM 359 OE2 GLU A 26 -5.104 -7.656 4.672 1.00 0.00 O ATOM 0 H GLU A 26 -1.762 -4.588 2.918 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.126 -5.701 0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.871 -4.927 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.136 -5.068 2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.069 -7.367 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.320 -7.404 2.108 1.00 0.00 H new ATOM 366 N GLY A 27 -4.453 -3.678 -0.221 1.00 0.00 N ATOM 367 CA GLY A 27 -4.982 -2.428 -0.875 1.00 0.00 C ATOM 368 C GLY A 27 -5.436 -1.479 0.234 1.00 0.00 C ATOM 369 O GLY A 27 -6.329 -1.832 0.979 1.00 0.00 O ATOM 0 H GLY A 27 -4.816 -4.543 -0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.210 -1.960 -1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.813 -2.666 -1.539 1.00 0.00 H new ATOM 373 N GLU A 28 -4.826 -0.320 0.315 1.00 0.00 N ATOM 374 CA GLU A 28 -5.208 0.656 1.384 1.00 0.00 C ATOM 375 C GLU A 28 -5.434 2.108 0.914 1.00 0.00 C ATOM 376 O GLU A 28 -5.048 3.038 1.593 1.00 0.00 O ATOM 377 CB GLU A 28 -4.090 0.602 2.474 1.00 0.00 C ATOM 378 CG GLU A 28 -4.254 -0.639 3.407 1.00 0.00 C ATOM 379 CD GLU A 28 -2.884 -1.216 3.849 1.00 0.00 C ATOM 380 OE1 GLU A 28 -1.971 -0.430 4.050 1.00 0.00 O ATOM 381 OE2 GLU A 28 -2.821 -2.431 3.967 1.00 0.00 O ATOM 0 H GLU A 28 -4.083 -0.009 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.184 0.354 1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.113 0.569 1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.120 1.513 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.830 -0.357 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.822 -1.411 2.888 1.00 0.00 H new ATOM 388 N SER A 29 -6.052 2.263 -0.229 1.00 0.00 N ATOM 389 CA SER A 29 -6.326 3.636 -0.768 1.00 0.00 C ATOM 390 C SER A 29 -7.400 3.544 -1.851 1.00 0.00 C ATOM 391 O SER A 29 -7.105 3.283 -3.001 1.00 0.00 O ATOM 392 CB SER A 29 -5.021 4.219 -1.347 1.00 0.00 C ATOM 393 OG SER A 29 -5.368 5.518 -1.817 1.00 0.00 O ATOM 0 H SER A 29 -6.381 1.497 -0.817 1.00 0.00 H new ATOM 0 HA SER A 29 -6.683 4.291 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.242 4.271 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.637 3.597 -2.156 1.00 0.00 H new ATOM 0 HG SER A 29 -6.183 5.822 -1.366 1.00 0.00 H new ATOM 399 N ASP A 30 -8.624 3.764 -1.447 1.00 0.00 N ATOM 400 CA ASP A 30 -9.756 3.703 -2.418 1.00 0.00 C ATOM 401 C ASP A 30 -9.767 5.030 -3.195 1.00 0.00 C ATOM 402 O ASP A 30 -9.671 6.062 -2.564 1.00 0.00 O ATOM 403 CB ASP A 30 -11.091 3.546 -1.667 1.00 0.00 C ATOM 404 CG ASP A 30 -12.211 3.309 -2.697 1.00 0.00 C ATOM 405 OD1 ASP A 30 -12.724 4.306 -3.182 1.00 0.00 O ATOM 406 OD2 ASP A 30 -12.486 2.146 -2.941 1.00 0.00 O ATOM 0 H ASP A 30 -8.888 3.983 -0.487 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.633 2.853 -3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.036 2.710 -0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.301 4.439 -1.079 1.00 0.00 H new ATOM 411 N PRO A 31 -9.884 4.994 -4.508 1.00 0.00 N ATOM 412 CA PRO A 31 -9.952 6.235 -5.326 1.00 0.00 C ATOM 413 C PRO A 31 -11.186 7.056 -4.909 1.00 0.00 C ATOM 414 O PRO A 31 -12.250 6.945 -5.482 1.00 0.00 O ATOM 415 CB PRO A 31 -10.000 5.763 -6.793 1.00 0.00 C ATOM 416 CG PRO A 31 -10.116 4.214 -6.773 1.00 0.00 C ATOM 417 CD PRO A 31 -9.962 3.744 -5.313 1.00 0.00 C ATOM 0 HA PRO A 31 -9.096 6.895 -5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.850 6.206 -7.312 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.102 6.075 -7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.079 3.899 -7.175 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.346 3.766 -7.401 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.808 3.130 -5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.065 3.137 -5.187 1.00 0.00 H new ATOM 425 N ARG A 32 -10.957 7.854 -3.897 1.00 0.00 N ATOM 426 CA ARG A 32 -11.990 8.754 -3.296 1.00 0.00 C ATOM 427 C ARG A 32 -11.319 9.485 -2.120 1.00 0.00 C ATOM 428 O ARG A 32 -11.593 10.645 -1.880 1.00 0.00 O ATOM 429 CB ARG A 32 -13.194 7.925 -2.765 1.00 0.00 C ATOM 430 CG ARG A 32 -14.365 7.930 -3.790 1.00 0.00 C ATOM 431 CD ARG A 32 -15.589 8.654 -3.205 1.00 0.00 C ATOM 432 NE ARG A 32 -15.285 10.116 -3.147 1.00 0.00 N ATOM 433 CZ ARG A 32 -15.875 10.935 -3.975 1.00 0.00 C ATOM 434 NH1 ARG A 32 -17.059 11.393 -3.673 1.00 0.00 N ATOM 435 NH2 ARG A 32 -15.262 11.267 -5.077 1.00 0.00 N ATOM 0 H ARG A 32 -10.047 7.920 -3.440 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.364 9.454 -4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.878 6.900 -2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.535 8.338 -1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.049 8.422 -4.710 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.631 6.906 -4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.469 8.473 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.815 8.273 -2.209 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.618 10.473 -2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.508 11.110 -2.802 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.535 12.034 -4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.337 10.888 -5.280 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.707 11.906 -5.736 1.00 0.00 H new ATOM 449 N ASN A 33 -10.460 8.771 -1.427 1.00 0.00 N ATOM 450 CA ASN A 33 -9.734 9.353 -0.254 1.00 0.00 C ATOM 451 C ASN A 33 -8.406 9.970 -0.732 1.00 0.00 C ATOM 452 O ASN A 33 -7.717 9.349 -1.517 1.00 0.00 O ATOM 453 CB ASN A 33 -9.424 8.256 0.806 1.00 0.00 C ATOM 454 CG ASN A 33 -9.035 6.909 0.174 1.00 0.00 C ATOM 455 OD1 ASN A 33 -7.960 6.719 -0.364 1.00 0.00 O ATOM 456 ND2 ASN A 33 -9.903 5.939 0.226 1.00 0.00 N ATOM 0 H ASN A 33 -10.230 7.798 -1.629 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.368 10.115 0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.613 8.598 1.449 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.298 8.115 1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.679 5.031 -0.182 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.807 6.087 0.675 1.00 0.00 H new ATOM 463 N PRO A 34 -8.072 11.157 -0.267 1.00 0.00 N ATOM 464 CA PRO A 34 -6.706 11.716 -0.433 1.00 0.00 C ATOM 465 C PRO A 34 -5.741 11.013 0.545 1.00 0.00 C ATOM 466 O PRO A 34 -5.235 11.628 1.465 1.00 0.00 O ATOM 467 CB PRO A 34 -6.859 13.223 -0.166 1.00 0.00 C ATOM 468 CG PRO A 34 -8.184 13.385 0.633 1.00 0.00 C ATOM 469 CD PRO A 34 -8.991 12.078 0.456 1.00 0.00 C ATOM 0 HA PRO A 34 -6.281 11.556 -1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.012 13.607 0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.896 13.783 -1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.977 13.569 1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.752 14.240 0.266 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -9.289 11.664 1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.905 12.251 -0.112 1.00 0.00 H new ATOM 477 N LYS A 35 -5.515 9.737 0.323 1.00 0.00 N ATOM 478 CA LYS A 35 -4.596 8.958 1.206 1.00 0.00 C ATOM 479 C LYS A 35 -3.226 9.648 1.332 1.00 0.00 C ATOM 480 O LYS A 35 -2.595 9.966 0.343 1.00 0.00 O ATOM 481 CB LYS A 35 -4.450 7.540 0.604 1.00 0.00 C ATOM 482 CG LYS A 35 -4.252 6.508 1.729 1.00 0.00 C ATOM 483 CD LYS A 35 -5.603 6.236 2.451 1.00 0.00 C ATOM 484 CE LYS A 35 -5.336 5.870 3.922 1.00 0.00 C ATOM 485 NZ LYS A 35 -4.347 4.760 3.992 1.00 0.00 N ATOM 0 H LYS A 35 -5.933 9.202 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.010 8.898 2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.337 7.290 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.602 7.512 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.859 5.579 1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.516 6.875 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.241 7.118 2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.136 5.425 1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.959 6.740 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.266 5.573 4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.462 4.249 4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.503 4.106 3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.384 5.149 3.936 1.00 0.00 H new ATOM 499 N ALA A 36 -2.817 9.850 2.560 1.00 0.00 N ATOM 500 CA ALA A 36 -1.505 10.514 2.839 1.00 0.00 C ATOM 501 C ALA A 36 -0.375 9.502 2.653 1.00 0.00 C ATOM 502 O ALA A 36 -0.478 8.375 3.100 1.00 0.00 O ATOM 503 CB ALA A 36 -1.517 11.040 4.280 1.00 0.00 C ATOM 0 H ALA A 36 -3.343 9.580 3.391 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.347 11.345 2.151 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.566 11.527 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.328 11.759 4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.665 10.209 4.969 1.00 0.00 H new ATOM 509 N CYS A 37 0.666 9.947 1.993 1.00 0.00 N ATOM 510 CA CYS A 37 1.846 9.067 1.730 1.00 0.00 C ATOM 511 C CYS A 37 3.173 9.859 1.750 1.00 0.00 C ATOM 512 O CYS A 37 3.160 11.053 1.520 1.00 0.00 O ATOM 513 CB CYS A 37 1.626 8.418 0.368 1.00 0.00 C ATOM 514 SG CYS A 37 0.015 7.643 0.091 1.00 0.00 S ATOM 0 H CYS A 37 0.749 10.893 1.621 1.00 0.00 H new ATOM 0 HA CYS A 37 1.929 8.315 2.515 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.775 9.178 -0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.397 7.662 0.222 1.00 0.00 H new ATOM 519 N PRO A 38 4.279 9.189 2.019 1.00 0.00 N ATOM 520 CA PRO A 38 5.611 9.848 2.074 1.00 0.00 C ATOM 521 C PRO A 38 6.063 10.361 0.700 1.00 0.00 C ATOM 522 O PRO A 38 6.526 11.479 0.583 1.00 0.00 O ATOM 523 CB PRO A 38 6.578 8.799 2.635 1.00 0.00 C ATOM 524 CG PRO A 38 5.822 7.441 2.629 1.00 0.00 C ATOM 525 CD PRO A 38 4.343 7.726 2.300 1.00 0.00 C ATOM 0 HA PRO A 38 5.578 10.735 2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.481 8.741 2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.891 9.063 3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.254 6.766 1.890 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.910 6.951 3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.012 7.145 1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.695 7.457 3.134 1.00 0.00 H new ATOM 533 N ARG A 39 5.911 9.522 -0.294 1.00 0.00 N ATOM 534 CA ARG A 39 6.315 9.902 -1.686 1.00 0.00 C ATOM 535 C ARG A 39 5.616 9.079 -2.773 1.00 0.00 C ATOM 536 O ARG A 39 5.827 9.311 -3.948 1.00 0.00 O ATOM 537 CB ARG A 39 7.850 9.735 -1.817 1.00 0.00 C ATOM 538 CG ARG A 39 8.263 8.252 -1.560 1.00 0.00 C ATOM 539 CD ARG A 39 9.398 8.190 -0.525 1.00 0.00 C ATOM 540 NE ARG A 39 10.610 8.831 -1.116 1.00 0.00 N ATOM 541 CZ ARG A 39 11.725 8.852 -0.440 1.00 0.00 C ATOM 542 NH1 ARG A 39 11.912 9.799 0.438 1.00 0.00 N ATOM 543 NH2 ARG A 39 12.616 7.927 -0.665 1.00 0.00 N ATOM 0 H ARG A 39 5.522 8.584 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 39 6.010 10.937 -1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.171 10.041 -2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.355 10.388 -1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.404 7.684 -1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.586 7.790 -2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.105 8.704 0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.609 7.155 -0.255 1.00 0.00 H new ATOM 0 HE ARG A 39 10.566 9.251 -2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.192 10.507 0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.778 9.832 0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.435 7.203 -1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.494 7.927 -0.146 1.00 0.00 H new ATOM 557 N ASN A 40 4.807 8.145 -2.346 1.00 0.00 N ATOM 558 CA ASN A 40 4.053 7.261 -3.287 1.00 0.00 C ATOM 559 C ASN A 40 4.958 6.589 -4.345 1.00 0.00 C ATOM 560 O ASN A 40 4.659 6.599 -5.524 1.00 0.00 O ATOM 561 CB ASN A 40 2.940 8.119 -3.975 1.00 0.00 C ATOM 562 CG ASN A 40 1.738 8.245 -3.030 1.00 0.00 C ATOM 563 OD1 ASN A 40 1.274 7.269 -2.475 1.00 0.00 O ATOM 564 ND2 ASN A 40 1.208 9.420 -2.826 1.00 0.00 N ATOM 0 H ASN A 40 4.633 7.953 -1.360 1.00 0.00 H new ATOM 0 HA ASN A 40 3.615 6.444 -2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.328 9.107 -4.222 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.633 7.654 -4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.407 9.517 -2.202 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.595 10.242 -3.290 1.00 0.00 H new ATOM 571 N CYS A 41 6.046 6.015 -3.885 1.00 0.00 N ATOM 572 CA CYS A 41 6.999 5.332 -4.821 1.00 0.00 C ATOM 573 C CYS A 41 7.796 4.217 -4.126 1.00 0.00 C ATOM 574 O CYS A 41 8.343 4.426 -3.059 1.00 0.00 O ATOM 575 CB CYS A 41 7.968 6.392 -5.395 1.00 0.00 C ATOM 576 SG CYS A 41 7.229 7.656 -6.461 1.00 0.00 S ATOM 0 H CYS A 41 6.316 5.990 -2.902 1.00 0.00 H new ATOM 0 HA CYS A 41 6.422 4.863 -5.618 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.461 6.892 -4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.743 5.876 -5.962 1.00 0.00 H new ATOM 581 N ASP A 42 7.832 3.065 -4.755 1.00 0.00 N ATOM 582 CA ASP A 42 8.579 1.895 -4.188 1.00 0.00 C ATOM 583 C ASP A 42 8.942 0.876 -5.302 1.00 0.00 C ATOM 584 O ASP A 42 8.100 0.103 -5.723 1.00 0.00 O ATOM 585 CB ASP A 42 7.713 1.169 -3.102 1.00 0.00 C ATOM 586 CG ASP A 42 8.628 0.505 -2.052 1.00 0.00 C ATOM 587 OD1 ASP A 42 9.646 -0.023 -2.469 1.00 0.00 O ATOM 588 OD2 ASP A 42 8.257 0.558 -0.892 1.00 0.00 O ATOM 0 H ASP A 42 7.371 2.884 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 42 9.495 2.275 -3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.049 1.885 -2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.081 0.416 -3.573 1.00 0.00 H new ATOM 593 N PRO A 43 10.178 0.890 -5.759 1.00 0.00 N ATOM 594 CA PRO A 43 10.667 -0.114 -6.743 1.00 0.00 C ATOM 595 C PRO A 43 10.608 -1.552 -6.201 1.00 0.00 C ATOM 596 O PRO A 43 10.642 -2.494 -6.969 1.00 0.00 O ATOM 597 CB PRO A 43 12.102 0.303 -7.095 1.00 0.00 C ATOM 598 CG PRO A 43 12.425 1.580 -6.271 1.00 0.00 C ATOM 599 CD PRO A 43 11.215 1.884 -5.367 1.00 0.00 C ATOM 0 HA PRO A 43 10.028 -0.127 -7.626 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.804 -0.496 -6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.194 0.501 -8.163 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.321 1.428 -5.669 1.00 0.00 H new ATOM 0 HG3 PRO A 43 12.625 2.421 -6.935 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.476 1.787 -4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.859 2.904 -5.514 1.00 0.00 H new ATOM 607 N ARG A 44 10.519 -1.679 -4.898 1.00 0.00 N ATOM 608 CA ARG A 44 10.457 -3.032 -4.265 1.00 0.00 C ATOM 609 C ARG A 44 9.152 -3.738 -4.644 1.00 0.00 C ATOM 610 O ARG A 44 9.137 -4.947 -4.777 1.00 0.00 O ATOM 611 CB ARG A 44 10.539 -2.874 -2.739 1.00 0.00 C ATOM 612 CG ARG A 44 11.035 -4.183 -2.074 1.00 0.00 C ATOM 613 CD ARG A 44 10.492 -4.282 -0.631 1.00 0.00 C ATOM 614 NE ARG A 44 10.991 -3.119 0.171 1.00 0.00 N ATOM 615 CZ ARG A 44 10.337 -1.987 0.179 1.00 0.00 C ATOM 616 NH1 ARG A 44 9.063 -1.980 0.464 1.00 0.00 N ATOM 617 NH2 ARG A 44 10.984 -0.890 -0.104 1.00 0.00 N ATOM 0 H ARG A 44 10.487 -0.898 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 44 11.292 -3.635 -4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.215 -2.056 -2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.558 -2.609 -2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.705 -5.044 -2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.125 -4.205 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.402 -4.290 -0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.813 -5.218 -0.173 1.00 0.00 H new ATOM 0 HE ARG A 44 11.849 -3.211 0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.584 -2.854 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.547 -1.100 0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.979 -0.927 -0.325 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.495 0.005 -0.104 1.00 0.00 H new ATOM 631 N ILE A 45 8.097 -2.972 -4.809 1.00 0.00 N ATOM 632 CA ILE A 45 6.787 -3.587 -5.179 1.00 0.00 C ATOM 633 C ILE A 45 6.761 -3.779 -6.690 1.00 0.00 C ATOM 634 O ILE A 45 7.466 -3.112 -7.424 1.00 0.00 O ATOM 635 CB ILE A 45 5.628 -2.644 -4.699 1.00 0.00 C ATOM 636 CG1 ILE A 45 5.306 -3.006 -3.222 1.00 0.00 C ATOM 637 CG2 ILE A 45 4.322 -2.849 -5.523 1.00 0.00 C ATOM 638 CD1 ILE A 45 5.918 -1.965 -2.263 1.00 0.00 C ATOM 0 H ILE A 45 8.089 -1.957 -4.704 1.00 0.00 H new ATOM 0 HA ILE A 45 6.654 -4.557 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 45 5.956 -1.612 -4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.226 -3.049 -3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.698 -3.996 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.549 -2.175 -5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.518 -2.636 -6.574 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.984 -3.880 -5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.682 -2.235 -1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.000 -1.942 -2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.505 -0.980 -2.483 1.00 0.00 H new ATOM 650 N ALA A 46 5.925 -4.701 -7.082 1.00 0.00 N ATOM 651 CA ALA A 46 5.765 -5.030 -8.527 1.00 0.00 C ATOM 652 C ALA A 46 4.368 -4.650 -8.996 1.00 0.00 C ATOM 653 O ALA A 46 4.211 -4.036 -10.034 1.00 0.00 O ATOM 654 CB ALA A 46 5.991 -6.526 -8.711 1.00 0.00 C ATOM 0 H ALA A 46 5.337 -5.248 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 46 6.490 -4.471 -9.118 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.878 -6.784 -9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.997 -6.785 -8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.261 -7.080 -8.121 1.00 0.00 H new ATOM 660 N TYR A 47 3.393 -5.029 -8.207 1.00 0.00 N ATOM 661 CA TYR A 47 1.970 -4.717 -8.563 1.00 0.00 C ATOM 662 C TYR A 47 1.053 -5.097 -7.400 1.00 0.00 C ATOM 663 O TYR A 47 1.526 -5.452 -6.340 1.00 0.00 O ATOM 664 CB TYR A 47 1.567 -5.514 -9.856 1.00 0.00 C ATOM 665 CG TYR A 47 2.305 -6.864 -9.931 1.00 0.00 C ATOM 666 CD1 TYR A 47 1.960 -7.904 -9.089 1.00 0.00 C ATOM 667 CD2 TYR A 47 3.328 -7.057 -10.843 1.00 0.00 C ATOM 668 CE1 TYR A 47 2.625 -9.109 -9.157 1.00 0.00 C ATOM 669 CE2 TYR A 47 3.992 -8.264 -10.908 1.00 0.00 C ATOM 670 CZ TYR A 47 3.645 -9.299 -10.065 1.00 0.00 C ATOM 671 OH TYR A 47 4.309 -10.507 -10.130 1.00 0.00 O ATOM 0 H TYR A 47 3.518 -5.540 -7.333 1.00 0.00 H new ATOM 0 HA TYR A 47 1.867 -3.649 -8.757 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.490 -5.684 -9.861 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.799 -4.920 -10.740 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.163 -7.771 -8.372 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.609 -6.255 -11.510 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.344 -9.913 -8.492 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.789 -8.400 -11.624 1.00 0.00 H new ATOM 0 HH TYR A 47 4.997 -10.465 -10.827 1.00 0.00 H new ATOM 681 N GLY A 48 -0.233 -5.011 -7.630 1.00 0.00 N ATOM 682 CA GLY A 48 -1.235 -5.356 -6.576 1.00 0.00 C ATOM 683 C GLY A 48 -2.140 -6.483 -7.074 1.00 0.00 C ATOM 684 O GLY A 48 -2.843 -6.317 -8.054 1.00 0.00 O ATOM 0 H GLY A 48 -0.637 -4.712 -8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.725 -5.663 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.833 -4.479 -6.328 1.00 0.00 H new ATOM 688 N ILE A 49 -2.097 -7.597 -6.385 1.00 0.00 N ATOM 689 CA ILE A 49 -2.938 -8.769 -6.773 1.00 0.00 C ATOM 690 C ILE A 49 -4.370 -8.517 -6.267 1.00 0.00 C ATOM 691 O ILE A 49 -4.696 -8.782 -5.126 1.00 0.00 O ATOM 692 CB ILE A 49 -2.330 -10.055 -6.127 1.00 0.00 C ATOM 693 CG1 ILE A 49 -0.839 -10.258 -6.556 1.00 0.00 C ATOM 694 CG2 ILE A 49 -3.172 -11.297 -6.519 1.00 0.00 C ATOM 695 CD1 ILE A 49 -0.672 -10.241 -8.093 1.00 0.00 C ATOM 0 H ILE A 49 -1.510 -7.744 -5.564 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.962 -8.904 -7.854 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.354 -9.931 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.225 -9.473 -6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.474 -11.207 -6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.740 -12.188 -6.064 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.195 -11.169 -6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.174 -11.408 -7.603 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.378 -10.385 -8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.265 -11.043 -8.532 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.012 -9.282 -8.485 1.00 0.00 H new ATOM 707 N CYS A 50 -5.181 -7.995 -7.155 1.00 0.00 N ATOM 708 CA CYS A 50 -6.607 -7.692 -6.817 1.00 0.00 C ATOM 709 C CYS A 50 -7.479 -8.931 -7.124 1.00 0.00 C ATOM 710 O CYS A 50 -7.226 -9.604 -8.104 1.00 0.00 O ATOM 711 CB CYS A 50 -7.081 -6.491 -7.661 1.00 0.00 C ATOM 712 SG CYS A 50 -5.874 -5.235 -8.157 1.00 0.00 S ATOM 0 H CYS A 50 -4.912 -7.763 -8.111 1.00 0.00 H new ATOM 0 HA CYS A 50 -6.696 -7.447 -5.759 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -7.536 -6.886 -8.569 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -7.870 -5.987 -7.102 1.00 0.00 H new ATOM 717 N PRO A 51 -8.471 -9.211 -6.302 1.00 0.00 N ATOM 718 CA PRO A 51 -9.402 -10.347 -6.545 1.00 0.00 C ATOM 719 C PRO A 51 -10.243 -10.126 -7.814 1.00 0.00 C ATOM 720 O PRO A 51 -10.780 -9.054 -8.015 1.00 0.00 O ATOM 721 CB PRO A 51 -10.276 -10.451 -5.289 1.00 0.00 C ATOM 722 CG PRO A 51 -9.987 -9.185 -4.431 1.00 0.00 C ATOM 723 CD PRO A 51 -8.781 -8.453 -5.058 1.00 0.00 C ATOM 0 HA PRO A 51 -8.858 -11.276 -6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.331 -10.504 -5.556 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.043 -11.358 -4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.860 -8.532 -4.408 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.770 -9.464 -3.400 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.023 -7.413 -5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.928 -8.444 -4.379 1.00 0.00 H new ATOM 731 N LEU A 52 -10.321 -11.154 -8.624 1.00 0.00 N ATOM 732 CA LEU A 52 -11.104 -11.094 -9.899 1.00 0.00 C ATOM 733 C LEU A 52 -12.237 -12.127 -9.821 1.00 0.00 C ATOM 734 O LEU A 52 -11.997 -13.318 -9.871 1.00 0.00 O ATOM 735 CB LEU A 52 -10.162 -11.414 -11.091 1.00 0.00 C ATOM 736 CG LEU A 52 -9.683 -10.100 -11.771 1.00 0.00 C ATOM 737 CD1 LEU A 52 -8.549 -9.454 -10.944 1.00 0.00 C ATOM 738 CD2 LEU A 52 -9.157 -10.423 -13.187 1.00 0.00 C ATOM 0 H LEU A 52 -9.866 -12.050 -8.451 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.527 -10.100 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.302 -11.984 -10.740 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.683 -12.038 -11.817 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.521 -9.405 -11.832 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.222 -8.535 -11.430 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.914 -9.225 -9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.710 -10.146 -10.875 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.820 -9.505 -13.668 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.324 -11.122 -13.115 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.956 -10.870 -13.779 1.00 0.00 H new ATOM 750 N ALA A 53 -13.444 -11.632 -9.699 1.00 0.00 N ATOM 751 CA ALA A 53 -14.638 -12.532 -9.613 1.00 0.00 C ATOM 752 C ALA A 53 -14.867 -13.282 -10.941 1.00 0.00 C ATOM 753 O ALA A 53 -15.211 -14.449 -10.852 1.00 0.00 O ATOM 754 CB ALA A 53 -15.867 -11.677 -9.271 1.00 0.00 C ATOM 755 OXT ALA A 53 -14.686 -12.649 -11.969 1.00 0.00 O ATOM 0 H ALA A 53 -13.656 -10.635 -9.655 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.469 -13.280 -8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -16.748 -12.316 -9.204 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.708 -11.177 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.019 -10.930 -10.050 1.00 0.00 H new TER 761 ALA A 53