USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 292 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 32 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -179:sc=-0.00411 (180deg=-0.00411) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 63:sc= 0.976 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.6! C(o=-1.6!,f=-1.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.14) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 71:sc= 0.932 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -38:sc= 0.539 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 65.652 55.459 12.667 1.00 0.00 N ATOM 2 CA GLY A 1 65.778 54.469 11.586 1.00 0.00 C ATOM 3 C GLY A 1 64.638 54.575 10.582 1.00 0.00 C ATOM 4 O GLY A 1 63.834 53.654 10.462 1.00 0.00 O ATOM 0 H1 GLY A 1 66.447 55.353 13.329 1.00 0.00 H new ATOM 0 H2 GLY A 1 65.663 56.417 12.263 1.00 0.00 H new ATOM 0 H3 GLY A 1 64.757 55.307 13.174 1.00 0.00 H new ATOM 0 HA2 GLY A 1 66.729 54.612 11.072 1.00 0.00 H new ATOM 0 HA3 GLY A 1 65.794 53.466 12.013 1.00 0.00 H new ATOM 10 N ILE A 2 64.578 55.699 9.860 1.00 0.00 N ATOM 11 CA ILE A 2 63.572 55.950 8.840 1.00 0.00 C ATOM 12 C ILE A 2 63.652 54.872 7.753 1.00 0.00 C ATOM 13 O ILE A 2 62.632 54.446 7.216 1.00 0.00 O ATOM 14 CB ILE A 2 63.765 57.380 8.306 1.00 0.00 C ATOM 15 CG1 ILE A 2 62.452 58.053 7.883 1.00 0.00 C ATOM 16 CG2 ILE A 2 64.814 57.458 7.191 1.00 0.00 C ATOM 17 CD1 ILE A 2 61.677 57.327 6.783 1.00 0.00 C ATOM 0 H ILE A 2 65.240 56.467 9.975 1.00 0.00 H new ATOM 0 HA ILE A 2 62.564 55.888 9.251 1.00 0.00 H new ATOM 0 HB ILE A 2 64.148 57.949 9.153 1.00 0.00 H new ATOM 0 HG12 ILE A 2 61.810 58.144 8.759 1.00 0.00 H new ATOM 0 HG13 ILE A 2 62.673 59.065 7.543 1.00 0.00 H new ATOM 0 HG21 ILE A 2 64.909 58.490 6.852 1.00 0.00 H new ATOM 0 HG22 ILE A 2 65.775 57.111 7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 2 64.505 56.829 6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 2 60.766 57.880 6.554 1.00 0.00 H new ATOM 0 HD12 ILE A 2 62.294 57.259 5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 2 61.417 56.324 7.122 1.00 0.00 H new ATOM 29 N LEU A 3 64.868 54.402 7.456 1.00 0.00 N ATOM 30 CA LEU A 3 65.097 53.361 6.468 1.00 0.00 C ATOM 31 C LEU A 3 64.576 52.005 6.939 1.00 0.00 C ATOM 32 O LEU A 3 64.310 51.135 6.112 1.00 0.00 O ATOM 33 CB LEU A 3 66.594 53.265 6.163 1.00 0.00 C ATOM 34 CG LEU A 3 67.190 54.576 5.634 1.00 0.00 C ATOM 35 CD1 LEU A 3 68.688 54.378 5.402 1.00 0.00 C ATOM 36 CD2 LEU A 3 66.535 55.007 4.319 1.00 0.00 C ATOM 0 H LEU A 3 65.721 54.740 7.901 1.00 0.00 H new ATOM 0 HA LEU A 3 64.549 53.629 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 3 67.124 52.972 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 3 66.758 52.477 5.429 1.00 0.00 H new ATOM 0 HG LEU A 3 67.008 55.356 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 3 69.123 55.304 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 3 69.169 54.107 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 3 68.841 53.582 4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.984 55.939 3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 3 66.687 54.233 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 3 65.467 55.155 4.476 1.00 0.00 H new ATOM 48 N ASP A 4 64.440 51.818 8.257 1.00 0.00 N ATOM 49 CA ASP A 4 63.886 50.616 8.840 1.00 0.00 C ATOM 50 C ASP A 4 62.382 50.793 8.990 1.00 0.00 C ATOM 51 O ASP A 4 61.654 49.810 9.103 1.00 0.00 O ATOM 52 CB ASP A 4 64.538 50.370 10.201 1.00 0.00 C ATOM 53 CG ASP A 4 66.052 50.236 10.077 1.00 0.00 C ATOM 54 OD1 ASP A 4 66.775 51.105 10.561 1.00 0.00 O ATOM 55 OD2 ASP A 4 66.499 49.128 9.420 1.00 0.00 O ATOM 0 H ASP A 4 64.719 52.514 8.948 1.00 0.00 H new ATOM 0 HA ASP A 4 64.082 49.756 8.200 1.00 0.00 H new ATOM 0 HB2 ASP A 4 64.298 51.192 10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 4 64.126 49.464 10.645 1.00 0.00 H new ATOM 61 N THR A 5 61.921 52.050 9.010 1.00 0.00 N ATOM 62 CA THR A 5 60.520 52.342 9.220 1.00 0.00 C ATOM 63 C THR A 5 59.725 51.955 7.979 1.00 0.00 C ATOM 64 O THR A 5 58.759 51.200 8.069 1.00 0.00 O ATOM 65 CB THR A 5 60.316 53.817 9.581 1.00 0.00 C ATOM 66 OG1 THR A 5 61.067 54.136 10.732 1.00 0.00 O ATOM 67 CG2 THR A 5 58.841 54.102 9.868 1.00 0.00 C ATOM 0 H THR A 5 62.508 52.874 8.882 1.00 0.00 H new ATOM 0 HA THR A 5 60.155 51.753 10.062 1.00 0.00 H new ATOM 0 HB THR A 5 60.645 54.422 8.736 1.00 0.00 H new ATOM 0 HG1 THR A 5 62.021 54.019 10.543 1.00 0.00 H new ATOM 0 HG21 THR A 5 58.717 55.155 10.122 1.00 0.00 H new ATOM 0 HG22 THR A 5 58.247 53.870 8.984 1.00 0.00 H new ATOM 0 HG23 THR A 5 58.507 53.485 10.702 1.00 0.00 H new ATOM 75 N LEU A 6 60.150 52.462 6.817 1.00 0.00 N ATOM 76 CA LEU A 6 59.566 52.100 5.537 1.00 0.00 C ATOM 77 C LEU A 6 59.780 50.616 5.247 1.00 0.00 C ATOM 78 O LEU A 6 58.931 49.982 4.624 1.00 0.00 O ATOM 79 CB LEU A 6 60.125 53.008 4.435 1.00 0.00 C ATOM 80 CG LEU A 6 61.640 52.879 4.211 1.00 0.00 C ATOM 81 CD1 LEU A 6 61.960 51.858 3.114 1.00 0.00 C ATOM 82 CD2 LEU A 6 62.197 54.234 3.772 1.00 0.00 C ATOM 0 H LEU A 6 60.912 53.137 6.746 1.00 0.00 H new ATOM 0 HA LEU A 6 58.488 52.255 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 6 59.612 52.782 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 6 59.894 54.044 4.683 1.00 0.00 H new ATOM 0 HG LEU A 6 62.090 52.548 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 6 63.040 51.792 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 6 61.569 50.882 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 6 61.499 52.173 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 6 63.272 54.151 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 6 61.714 54.543 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 6 62.003 54.976 4.547 1.00 0.00 H new ATOM 94 N LYS A 7 60.901 50.060 5.723 1.00 0.00 N ATOM 95 CA LYS A 7 61.219 48.652 5.595 1.00 0.00 C ATOM 96 C LYS A 7 60.178 47.809 6.327 1.00 0.00 C ATOM 97 O LYS A 7 59.678 46.827 5.781 1.00 0.00 O ATOM 98 CB LYS A 7 62.620 48.416 6.166 1.00 0.00 C ATOM 99 CG LYS A 7 63.140 47.017 5.838 1.00 0.00 C ATOM 100 CD LYS A 7 63.385 46.891 4.335 1.00 0.00 C ATOM 101 CE LYS A 7 63.964 45.514 4.009 1.00 0.00 C ATOM 102 NZ LYS A 7 64.230 45.371 2.568 1.00 0.00 N ATOM 0 H LYS A 7 61.618 50.594 6.214 1.00 0.00 H new ATOM 0 HA LYS A 7 61.204 48.356 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 7 63.306 49.162 5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 7 62.599 48.551 7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 7 64.065 46.826 6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 7 62.419 46.267 6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 7 62.451 47.039 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 7 64.072 47.670 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 7 64.888 45.364 4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 7 63.268 44.739 4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 64.622 44.426 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 63.343 45.490 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 64.913 46.096 2.267 1.00 0.00 H new ATOM 116 N GLN A 8 59.848 48.208 7.561 1.00 0.00 N ATOM 117 CA GLN A 8 58.844 47.558 8.383 1.00 0.00 C ATOM 118 C GLN A 8 57.490 47.611 7.683 1.00 0.00 C ATOM 119 O GLN A 8 56.827 46.586 7.537 1.00 0.00 O ATOM 120 CB GLN A 8 58.808 48.249 9.750 1.00 0.00 C ATOM 121 CG GLN A 8 57.976 47.485 10.782 1.00 0.00 C ATOM 122 CD GLN A 8 56.477 47.539 10.495 1.00 0.00 C ATOM 123 OE1 GLN A 8 55.924 48.612 10.265 1.00 0.00 O ATOM 124 NE2 GLN A 8 55.818 46.377 10.512 1.00 0.00 N ATOM 0 H GLN A 8 60.285 49.009 8.017 1.00 0.00 H new ATOM 0 HA GLN A 8 59.091 46.507 8.533 1.00 0.00 H new ATOM 0 HB2 GLN A 8 59.826 48.360 10.122 1.00 0.00 H new ATOM 0 HB3 GLN A 8 58.400 49.253 9.633 1.00 0.00 H new ATOM 0 HG2 GLN A 8 58.299 46.444 10.803 1.00 0.00 H new ATOM 0 HG3 GLN A 8 58.166 47.898 11.772 1.00 0.00 H new ATOM 0 HE21 GLN A 8 56.318 45.510 10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 8 54.815 46.357 10.329 1.00 0.00 H new ATOM 133 N PHE A 9 57.091 48.810 7.244 1.00 0.00 N ATOM 134 CA PHE A 9 55.842 49.016 6.532 1.00 0.00 C ATOM 135 C PHE A 9 55.813 48.189 5.251 1.00 0.00 C ATOM 136 O PHE A 9 54.843 47.477 5.000 1.00 0.00 O ATOM 137 CB PHE A 9 55.664 50.504 6.226 1.00 0.00 C ATOM 138 CG PHE A 9 54.386 50.816 5.477 1.00 0.00 C ATOM 139 CD1 PHE A 9 53.168 50.899 6.172 1.00 0.00 C ATOM 140 CD2 PHE A 9 54.406 50.970 4.082 1.00 0.00 C ATOM 141 CE1 PHE A 9 51.977 51.147 5.474 1.00 0.00 C ATOM 142 CE2 PHE A 9 53.214 51.218 3.385 1.00 0.00 C ATOM 143 CZ PHE A 9 52.000 51.307 4.081 1.00 0.00 C ATOM 0 H PHE A 9 57.634 49.663 7.377 1.00 0.00 H new ATOM 0 HA PHE A 9 55.014 48.686 7.160 1.00 0.00 H new ATOM 0 HB2 PHE A 9 55.674 51.063 7.162 1.00 0.00 H new ATOM 0 HB3 PHE A 9 56.514 50.851 5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 9 53.149 50.772 7.244 1.00 0.00 H new ATOM 0 HD2 PHE A 9 55.340 50.898 3.545 1.00 0.00 H new ATOM 0 HE1 PHE A 9 51.042 51.215 6.010 1.00 0.00 H new ATOM 0 HE2 PHE A 9 53.231 51.340 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 9 51.083 51.499 3.544 1.00 0.00 H new ATOM 153 N ALA A 10 56.880 48.275 4.449 1.00 0.00 N ATOM 154 CA ALA A 10 57.016 47.498 3.229 1.00 0.00 C ATOM 155 C ALA A 10 56.979 46.004 3.541 1.00 0.00 C ATOM 156 O ALA A 10 56.338 45.240 2.823 1.00 0.00 O ATOM 157 CB ALA A 10 58.321 47.874 2.526 1.00 0.00 C ATOM 0 H ALA A 10 57.672 48.890 4.635 1.00 0.00 H new ATOM 0 HA ALA A 10 56.181 47.723 2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 10 58.422 47.291 1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 10 58.309 48.936 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 10 59.163 47.664 3.185 1.00 0.00 H new ATOM 163 N LYS A 11 57.646 45.598 4.627 1.00 0.00 N ATOM 164 CA LYS A 11 57.615 44.232 5.114 1.00 0.00 C ATOM 165 C LYS A 11 56.219 43.878 5.623 1.00 0.00 C ATOM 166 O LYS A 11 55.788 42.736 5.480 1.00 0.00 O ATOM 167 CB LYS A 11 58.670 44.070 6.210 1.00 0.00 C ATOM 168 CG LYS A 11 58.744 42.625 6.707 1.00 0.00 C ATOM 169 CD LYS A 11 59.877 42.497 7.724 1.00 0.00 C ATOM 170 CE LYS A 11 59.959 41.060 8.240 1.00 0.00 C ATOM 171 NZ LYS A 11 61.051 40.906 9.215 1.00 0.00 N ATOM 0 H LYS A 11 58.225 46.220 5.191 1.00 0.00 H new ATOM 0 HA LYS A 11 57.846 43.544 4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 11 59.644 44.375 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 11 58.434 44.731 7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 11 57.797 42.336 7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 11 58.914 41.949 5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 11 60.823 42.781 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 11 59.709 43.181 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 11 59.012 40.783 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 11 60.116 40.379 7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 61.083 39.921 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 61.956 41.148 8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 60.887 41.540 10.023 1.00 0.00 H new ATOM 185 N GLY A 12 55.509 44.853 6.202 1.00 0.00 N ATOM 186 CA GLY A 12 54.152 44.652 6.677 1.00 0.00 C ATOM 187 C GLY A 12 53.151 44.658 5.532 1.00 0.00 C ATOM 188 O GLY A 12 52.163 43.930 5.593 1.00 0.00 O ATOM 0 H GLY A 12 55.865 45.797 6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 12 54.089 43.704 7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 12 53.895 45.436 7.389 1.00 0.00 H new ATOM 192 N VAL A 13 53.443 45.403 4.459 1.00 0.00 N ATOM 193 CA VAL A 13 52.789 45.174 3.182 1.00 0.00 C ATOM 194 C VAL A 13 53.611 44.129 2.426 1.00 0.00 C ATOM 195 O VAL A 13 53.857 44.233 1.227 1.00 0.00 O ATOM 196 CB VAL A 13 52.636 46.496 2.419 1.00 0.00 C ATOM 197 CG1 VAL A 13 51.724 46.343 1.196 1.00 0.00 C ATOM 198 CG2 VAL A 13 52.010 47.570 3.314 1.00 0.00 C ATOM 0 H VAL A 13 54.124 46.162 4.457 1.00 0.00 H new ATOM 0 HA VAL A 13 51.777 44.791 3.311 1.00 0.00 H new ATOM 0 HB VAL A 13 53.639 46.785 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 13 51.641 47.301 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 13 52.147 45.603 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 13 50.735 46.017 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 13 51.911 48.499 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 13 51.026 47.239 3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 13 52.648 47.737 4.182 1.00 0.00 H new ATOM 208 N GLY A 14 54.042 43.115 3.178 1.00 0.00 N ATOM 209 CA GLY A 14 54.783 41.961 2.708 1.00 0.00 C ATOM 210 C GLY A 14 54.318 40.740 3.497 1.00 0.00 C ATOM 211 O GLY A 14 54.323 39.627 2.977 1.00 0.00 O ATOM 0 H GLY A 14 53.871 43.082 4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 14 54.615 41.811 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 14 55.853 42.116 2.844 1.00 0.00 H new ATOM 215 N LYS A 15 53.880 40.966 4.742 1.00 0.00 N ATOM 216 CA LYS A 15 53.205 39.966 5.548 1.00 0.00 C ATOM 217 C LYS A 15 51.716 39.990 5.216 1.00 0.00 C ATOM 218 O LYS A 15 51.093 38.939 5.083 1.00 0.00 O ATOM 219 CB LYS A 15 53.411 40.256 7.035 1.00 0.00 C ATOM 220 CG LYS A 15 54.887 40.227 7.439 1.00 0.00 C ATOM 221 CD LYS A 15 55.517 38.861 7.161 1.00 0.00 C ATOM 222 CE LYS A 15 56.973 38.861 7.627 1.00 0.00 C ATOM 223 NZ LYS A 15 57.616 37.561 7.381 1.00 0.00 N ATOM 0 H LYS A 15 53.991 41.863 5.215 1.00 0.00 H new ATOM 0 HA LYS A 15 53.619 38.982 5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 15 52.992 41.234 7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.862 39.522 7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 15 55.430 40.998 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 15 54.980 40.463 8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 15 54.959 38.080 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 15 55.466 38.636 6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 15 57.523 39.645 7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 15 57.016 39.094 8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 58.603 37.594 7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 57.105 36.817 7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 57.596 37.351 6.363 1.00 0.00 H new ATOM 237 N ASP A 16 51.158 41.198 5.064 1.00 0.00 N ATOM 238 CA ASP A 16 49.789 41.403 4.616 1.00 0.00 C ATOM 239 C ASP A 16 49.613 40.899 3.182 1.00 0.00 C ATOM 240 O ASP A 16 48.490 40.665 2.739 1.00 0.00 O ATOM 241 CB ASP A 16 49.456 42.894 4.709 1.00 0.00 C ATOM 242 CG ASP A 16 47.974 43.163 4.471 1.00 0.00 C ATOM 243 OD1 ASP A 16 47.198 43.142 5.425 1.00 0.00 O ATOM 244 OD2 ASP A 16 47.612 43.427 3.182 1.00 0.00 O ATOM 0 H ASP A 16 51.658 42.067 5.253 1.00 0.00 H new ATOM 0 HA ASP A 16 49.108 40.839 5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 16 49.739 43.268 5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 16 50.047 43.444 3.976 1.00 0.00 H new ATOM 250 N LEU A 17 50.728 40.727 2.464 1.00 0.00 N ATOM 251 CA LEU A 17 50.767 40.218 1.112 1.00 0.00 C ATOM 252 C LEU A 17 50.842 38.703 1.197 1.00 0.00 C ATOM 253 O LEU A 17 50.131 38.004 0.477 1.00 0.00 O ATOM 254 CB LEU A 17 52.014 40.778 0.428 1.00 0.00 C ATOM 255 CG LEU A 17 52.221 40.206 -0.973 1.00 0.00 C ATOM 256 CD1 LEU A 17 51.065 40.559 -1.913 1.00 0.00 C ATOM 257 CD2 LEU A 17 53.528 40.750 -1.551 1.00 0.00 C ATOM 0 H LEU A 17 51.653 40.949 2.831 1.00 0.00 H new ATOM 0 HA LEU A 17 49.886 40.511 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 17 51.933 41.863 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 17 52.889 40.558 1.039 1.00 0.00 H new ATOM 0 HG LEU A 17 52.261 39.120 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 17 51.254 40.132 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 17 50.135 40.154 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 17 50.982 41.643 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 17 53.680 40.344 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 17 53.477 41.838 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 17 54.359 40.456 -0.910 1.00 0.00 H new ATOM 269 N VAL A 18 51.690 38.204 2.105 1.00 0.00 N ATOM 270 CA VAL A 18 51.719 36.786 2.406 1.00 0.00 C ATOM 271 C VAL A 18 50.381 36.387 3.028 1.00 0.00 C ATOM 272 O VAL A 18 49.902 35.279 2.796 1.00 0.00 O ATOM 273 CB VAL A 18 52.906 36.452 3.318 1.00 0.00 C ATOM 274 CG1 VAL A 18 52.817 35.018 3.848 1.00 0.00 C ATOM 275 CG2 VAL A 18 54.213 36.590 2.534 1.00 0.00 C ATOM 0 H VAL A 18 52.357 38.765 2.635 1.00 0.00 H new ATOM 0 HA VAL A 18 51.859 36.211 1.491 1.00 0.00 H new ATOM 0 HB VAL A 18 52.882 37.146 4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 18 53.673 34.814 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 18 51.897 34.898 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 18 52.817 34.320 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 18 55.054 36.352 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 18 54.204 35.904 1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 18 54.313 37.613 2.171 1.00 0.00 H new ATOM 285 N LYS A 19 49.765 37.305 3.783 1.00 0.00 N ATOM 286 CA LYS A 19 48.439 37.099 4.349 1.00 0.00 C ATOM 287 C LYS A 19 47.388 37.109 3.241 1.00 0.00 C ATOM 288 O LYS A 19 46.380 36.411 3.328 1.00 0.00 O ATOM 289 CB LYS A 19 48.154 38.188 5.383 1.00 0.00 C ATOM 290 CG LYS A 19 46.848 37.895 6.124 1.00 0.00 C ATOM 291 CD LYS A 19 46.679 38.903 7.260 1.00 0.00 C ATOM 292 CE LYS A 19 45.397 38.636 8.053 1.00 0.00 C ATOM 293 NZ LYS A 19 44.196 38.814 7.222 1.00 0.00 N ATOM 0 H LYS A 19 50.177 38.209 4.015 1.00 0.00 H new ATOM 0 HA LYS A 19 48.399 36.128 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 19 48.978 38.246 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 19 48.089 39.158 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 19 46.004 37.958 5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 19 46.861 36.880 6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 19 47.540 38.850 7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 19 46.653 39.913 6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 19 45.419 37.621 8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 19 45.351 39.310 8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 43.351 38.809 7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 44.255 39.721 6.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 44.132 38.037 6.533 1.00 0.00 H new ATOM 307 N GLY A 20 47.640 37.897 2.192 1.00 0.00 N ATOM 308 CA GLY A 20 46.787 37.967 1.023 1.00 0.00 C ATOM 309 C GLY A 20 46.937 36.692 0.204 1.00 0.00 C ATOM 310 O GLY A 20 45.942 36.084 -0.186 1.00 0.00 O ATOM 0 H GLY A 20 48.455 38.508 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 20 45.748 38.097 1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 20 47.053 38.834 0.418 1.00 0.00 H new ATOM 314 N ALA A 21 48.187 36.278 -0.031 1.00 0.00 N ATOM 315 CA ALA A 21 48.491 35.029 -0.702 1.00 0.00 C ATOM 316 C ALA A 21 48.028 33.837 0.130 1.00 0.00 C ATOM 317 O ALA A 21 47.661 32.808 -0.433 1.00 0.00 O ATOM 318 CB ALA A 21 49.992 34.947 -0.977 1.00 0.00 C ATOM 0 H ALA A 21 49.013 36.809 0.244 1.00 0.00 H new ATOM 0 HA ALA A 21 47.954 34.999 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 21 50.219 34.008 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 21 50.292 35.781 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 21 50.538 34.994 -0.035 1.00 0.00 H new ATOM 324 N ALA A 22 48.037 33.976 1.462 1.00 0.00 N ATOM 325 CA ALA A 22 47.646 32.898 2.361 1.00 0.00 C ATOM 326 C ALA A 22 46.210 32.446 2.097 1.00 0.00 C ATOM 327 O ALA A 22 45.885 31.280 2.314 1.00 0.00 O ATOM 328 CB ALA A 22 47.812 33.329 3.817 1.00 0.00 C ATOM 0 H ALA A 22 48.314 34.835 1.938 1.00 0.00 H new ATOM 0 HA ALA A 22 48.303 32.050 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 22 47.515 32.512 4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 22 48.855 33.585 4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 22 47.184 34.198 4.013 1.00 0.00 H new ATOM 334 N GLN A 23 45.363 33.364 1.618 1.00 0.00 N ATOM 335 CA GLN A 23 43.981 33.084 1.271 1.00 0.00 C ATOM 336 C GLN A 23 43.889 31.942 0.258 1.00 0.00 C ATOM 337 O GLN A 23 42.984 31.115 0.344 1.00 0.00 O ATOM 338 CB GLN A 23 43.342 34.364 0.728 1.00 0.00 C ATOM 339 CG GLN A 23 41.847 34.167 0.476 1.00 0.00 C ATOM 340 CD GLN A 23 41.192 35.457 -0.007 1.00 0.00 C ATOM 341 OE1 GLN A 23 40.805 35.561 -1.169 1.00 0.00 O ATOM 342 NE2 GLN A 23 41.063 36.440 0.888 1.00 0.00 N ATOM 0 H GLN A 23 45.631 34.336 1.461 1.00 0.00 H new ATOM 0 HA GLN A 23 43.440 32.761 2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 23 43.490 35.178 1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 23 43.835 34.656 -0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 23 41.701 33.382 -0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 23 41.362 33.832 1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 23 41.399 36.309 1.842 1.00 0.00 H new ATOM 0 HE22 GLN A 23 40.628 37.322 0.618 1.00 0.00 H new ATOM 351 N GLY A 24 44.828 31.890 -0.695 1.00 0.00 N ATOM 352 CA GLY A 24 44.848 30.866 -1.721 1.00 0.00 C ATOM 353 C GLY A 24 46.200 30.888 -2.416 1.00 0.00 C ATOM 354 O GLY A 24 46.335 31.471 -3.489 1.00 0.00 O ATOM 0 H GLY A 24 45.592 32.562 -0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 24 44.668 29.886 -1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 24 44.051 31.041 -2.443 1.00 0.00 H new ATOM 358 N VAL A 25 47.203 30.263 -1.789 1.00 0.00 N ATOM 359 CA VAL A 25 48.569 30.279 -2.274 1.00 0.00 C ATOM 360 C VAL A 25 48.653 29.657 -3.664 1.00 0.00 C ATOM 361 O VAL A 25 49.249 30.235 -4.569 1.00 0.00 O ATOM 362 CB VAL A 25 49.491 29.570 -1.272 1.00 0.00 C ATOM 363 CG1 VAL A 25 49.472 30.306 0.066 1.00 0.00 C ATOM 364 CG2 VAL A 25 49.133 28.100 -1.029 1.00 0.00 C ATOM 0 H VAL A 25 47.079 29.732 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 25 48.905 31.312 -2.363 1.00 0.00 H new ATOM 0 HB VAL A 25 50.484 29.588 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 25 50.129 29.796 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 25 49.818 31.330 -0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 25 48.456 30.318 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 25 49.830 27.670 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 25 48.119 28.033 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 25 49.195 27.550 -1.968 1.00 0.00 H new ATOM 374 N LEU A 26 48.026 28.489 -3.828 1.00 0.00 N ATOM 375 CA LEU A 26 47.936 27.793 -5.100 1.00 0.00 C ATOM 376 C LEU A 26 47.244 28.672 -6.139 1.00 0.00 C ATOM 377 O LEU A 26 47.651 28.694 -7.299 1.00 0.00 O ATOM 378 CB LEU A 26 47.166 26.481 -4.921 1.00 0.00 C ATOM 379 CG LEU A 26 47.788 25.541 -3.879 1.00 0.00 C ATOM 380 CD1 LEU A 26 46.936 24.274 -3.786 1.00 0.00 C ATOM 381 CD2 LEU A 26 49.221 25.154 -4.249 1.00 0.00 C ATOM 0 H LEU A 26 47.561 27.998 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 26 48.943 27.570 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 26 46.141 26.708 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 26 47.116 25.965 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 26 47.816 26.063 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 26 47.368 23.598 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 26 45.922 24.539 -3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 26 46.909 23.781 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 26 49.626 24.488 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 26 49.223 24.646 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 26 49.836 26.052 -4.311 1.00 0.00 H new ATOM 393 N SER A 27 46.206 29.404 -5.719 1.00 0.00 N ATOM 394 CA SER A 27 45.487 30.321 -6.585 1.00 0.00 C ATOM 395 C SER A 27 46.371 31.506 -6.971 1.00 0.00 C ATOM 396 O SER A 27 46.326 31.954 -8.115 1.00 0.00 O ATOM 397 CB SER A 27 44.209 30.792 -5.889 1.00 0.00 C ATOM 398 OG SER A 27 43.480 31.638 -6.751 1.00 0.00 O ATOM 0 H SER A 27 45.847 29.371 -4.765 1.00 0.00 H new ATOM 0 HA SER A 27 45.213 29.802 -7.503 1.00 0.00 H new ATOM 0 HB2 SER A 27 43.600 29.933 -5.607 1.00 0.00 H new ATOM 0 HB3 SER A 27 44.459 31.322 -4.970 1.00 0.00 H new ATOM 0 HG SER A 27 42.662 31.936 -6.302 1.00 0.00 H new ATOM 404 N THR A 28 47.176 32.009 -6.027 1.00 0.00 N ATOM 405 CA THR A 28 48.072 33.126 -6.278 1.00 0.00 C ATOM 406 C THR A 28 49.151 32.738 -7.288 1.00 0.00 C ATOM 407 O THR A 28 49.516 33.550 -8.135 1.00 0.00 O ATOM 408 CB THR A 28 48.683 33.624 -4.965 1.00 0.00 C ATOM 409 OG1 THR A 28 47.649 33.918 -4.051 1.00 0.00 O ATOM 410 CG2 THR A 28 49.507 34.893 -5.202 1.00 0.00 C ATOM 0 H THR A 28 47.219 31.649 -5.074 1.00 0.00 H new ATOM 0 HA THR A 28 47.498 33.945 -6.712 1.00 0.00 H new ATOM 0 HB THR A 28 49.333 32.845 -4.566 1.00 0.00 H new ATOM 0 HG1 THR A 28 47.237 33.084 -3.744 1.00 0.00 H new ATOM 0 HG21 THR A 28 49.933 35.232 -4.258 1.00 0.00 H new ATOM 0 HG22 THR A 28 50.311 34.679 -5.907 1.00 0.00 H new ATOM 0 HG23 THR A 28 48.865 35.673 -5.611 1.00 0.00 H new ATOM 418 N VAL A 29 49.646 31.496 -7.216 1.00 0.00 N ATOM 419 CA VAL A 29 50.597 30.965 -8.178 1.00 0.00 C ATOM 420 C VAL A 29 49.974 30.920 -9.575 1.00 0.00 C ATOM 421 O VAL A 29 50.682 31.079 -10.568 1.00 0.00 O ATOM 422 CB VAL A 29 51.065 29.579 -7.714 1.00 0.00 C ATOM 423 CG1 VAL A 29 51.935 28.905 -8.774 1.00 0.00 C ATOM 424 CG2 VAL A 29 51.886 29.706 -6.427 1.00 0.00 C ATOM 0 H VAL A 29 49.392 30.835 -6.482 1.00 0.00 H new ATOM 0 HA VAL A 29 51.468 31.618 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 29 50.175 28.973 -7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 29 52.251 27.925 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 29 51.362 28.788 -9.694 1.00 0.00 H new ATOM 0 HG13 VAL A 29 52.813 29.520 -8.969 1.00 0.00 H new ATOM 0 HG21 VAL A 29 52.214 28.717 -6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 29 52.757 30.335 -6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 29 51.272 30.156 -5.647 1.00 0.00 H new ATOM 434 N SER A 30 48.653 30.727 -9.656 1.00 0.00 N ATOM 435 CA SER A 30 47.930 30.744 -10.916 1.00 0.00 C ATOM 436 C SER A 30 47.637 32.181 -11.326 1.00 0.00 C ATOM 437 O SER A 30 48.014 32.615 -12.414 1.00 0.00 O ATOM 438 CB SER A 30 46.631 29.951 -10.765 1.00 0.00 C ATOM 439 OG SER A 30 45.997 29.825 -12.019 1.00 0.00 O ATOM 0 H SER A 30 48.061 30.555 -8.843 1.00 0.00 H new ATOM 0 HA SER A 30 48.538 30.282 -11.694 1.00 0.00 H new ATOM 0 HB2 SER A 30 46.843 28.964 -10.354 1.00 0.00 H new ATOM 0 HB3 SER A 30 45.968 30.454 -10.061 1.00 0.00 H new ATOM 0 HG SER A 30 45.167 29.315 -11.916 1.00 0.00 H new ATOM 445 N CYS A 31 46.974 32.911 -10.427 1.00 0.00 N ATOM 446 CA CYS A 31 46.678 34.327 -10.568 1.00 0.00 C ATOM 447 C CYS A 31 47.953 35.155 -10.753 1.00 0.00 C ATOM 448 O CYS A 31 47.877 36.331 -11.103 1.00 0.00 O ATOM 449 CB CYS A 31 45.936 34.774 -9.309 1.00 0.00 C ATOM 450 SG CYS A 31 45.336 36.477 -9.309 1.00 0.00 S ATOM 0 H CYS A 31 46.620 32.515 -9.556 1.00 0.00 H new ATOM 0 HA CYS A 31 46.066 34.484 -11.457 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.085 34.110 -9.157 1.00 0.00 H new ATOM 0 HB3 CYS A 31 46.599 34.643 -8.454 1.00 0.00 H new ATOM 455 N LYS A 32 49.122 34.551 -10.510 1.00 0.00 N ATOM 456 CA LYS A 32 50.406 35.222 -10.542 1.00 0.00 C ATOM 457 C LYS A 32 50.826 35.462 -11.989 1.00 0.00 C ATOM 458 O LYS A 32 51.330 36.533 -12.316 1.00 0.00 O ATOM 459 CB LYS A 32 51.402 34.304 -9.838 1.00 0.00 C ATOM 460 CG LYS A 32 52.828 34.846 -9.838 1.00 0.00 C ATOM 461 CD LYS A 32 53.063 35.834 -8.695 1.00 0.00 C ATOM 462 CE LYS A 32 53.256 35.102 -7.364 1.00 0.00 C ATOM 463 NZ LYS A 32 53.478 36.050 -6.261 1.00 0.00 N ATOM 0 H LYS A 32 49.192 33.559 -10.281 1.00 0.00 H new ATOM 0 HA LYS A 32 50.361 36.191 -10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 32 51.079 34.151 -8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 32 51.392 33.328 -10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 32 53.531 34.018 -9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 32 53.029 35.338 -10.790 1.00 0.00 H new ATOM 0 HD2 LYS A 32 53.942 36.441 -8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 32 52.216 36.515 -8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 32 52.378 34.492 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 32 54.105 34.423 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 53.639 35.524 -5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 54.310 36.638 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 52.642 36.659 -6.153 1.00 0.00 H new ATOM 477 N LEU A 33 50.624 34.451 -12.841 1.00 0.00 N ATOM 478 CA LEU A 33 50.911 34.507 -14.267 1.00 0.00 C ATOM 479 C LEU A 33 50.406 35.816 -14.874 1.00 0.00 C ATOM 480 O LEU A 33 51.185 36.555 -15.474 1.00 0.00 O ATOM 481 CB LEU A 33 50.271 33.305 -14.972 1.00 0.00 C ATOM 482 CG LEU A 33 50.776 31.953 -14.446 1.00 0.00 C ATOM 483 CD1 LEU A 33 49.994 30.832 -15.134 1.00 0.00 C ATOM 484 CD2 LEU A 33 52.269 31.763 -14.724 1.00 0.00 C ATOM 0 H LEU A 33 50.247 33.551 -12.544 1.00 0.00 H new ATOM 0 HA LEU A 33 51.991 34.468 -14.407 1.00 0.00 H new ATOM 0 HB2 LEU A 33 49.189 33.354 -14.849 1.00 0.00 H new ATOM 0 HB3 LEU A 33 50.473 33.370 -16.041 1.00 0.00 H new ATOM 0 HG LEU A 33 50.626 31.927 -13.367 1.00 0.00 H new ATOM 0 HD11 LEU A 33 50.344 29.867 -14.768 1.00 0.00 H new ATOM 0 HD12 LEU A 33 48.932 30.940 -14.913 1.00 0.00 H new ATOM 0 HD13 LEU A 33 50.148 30.889 -16.212 1.00 0.00 H new ATOM 0 HD21 LEU A 33 52.591 30.796 -14.338 1.00 0.00 H new ATOM 0 HD22 LEU A 33 52.447 31.802 -15.799 1.00 0.00 H new ATOM 0 HD23 LEU A 33 52.834 32.556 -14.234 1.00 0.00 H new ATOM 496 N ALA A 34 49.113 36.113 -14.696 1.00 0.00 N ATOM 497 CA ALA A 34 48.522 37.371 -15.129 1.00 0.00 C ATOM 498 C ALA A 34 48.800 38.489 -14.133 1.00 0.00 C ATOM 499 O ALA A 34 48.885 39.661 -14.496 1.00 0.00 O ATOM 500 CB ALA A 34 47.021 37.186 -15.350 1.00 0.00 C ATOM 0 H ALA A 34 48.451 35.481 -14.246 1.00 0.00 H new ATOM 0 HA ALA A 34 48.982 37.665 -16.072 1.00 0.00 H new ATOM 0 HB1 ALA A 34 46.582 38.130 -15.674 1.00 0.00 H new ATOM 0 HB2 ALA A 34 46.857 36.428 -16.115 1.00 0.00 H new ATOM 0 HB3 ALA A 34 46.552 36.869 -14.418 1.00 0.00 H new ATOM 506 N LYS A 35 48.957 38.087 -12.877 1.00 0.00 N ATOM 507 CA LYS A 35 49.304 38.921 -11.747 1.00 0.00 C ATOM 508 C LYS A 35 48.204 39.933 -11.454 1.00 0.00 C ATOM 509 O LYS A 35 48.325 41.111 -11.787 1.00 0.00 O ATOM 510 CB LYS A 35 50.659 39.585 -11.979 1.00 0.00 C ATOM 511 CG LYS A 35 51.169 40.216 -10.684 1.00 0.00 C ATOM 512 CD LYS A 35 51.644 39.155 -9.686 1.00 0.00 C ATOM 513 CE LYS A 35 52.067 39.855 -8.392 1.00 0.00 C ATOM 514 NZ LYS A 35 52.589 38.898 -7.405 1.00 0.00 N ATOM 0 H LYS A 35 48.837 37.110 -12.611 1.00 0.00 H new ATOM 0 HA LYS A 35 49.393 38.295 -10.859 1.00 0.00 H new ATOM 0 HB2 LYS A 35 51.376 38.847 -12.339 1.00 0.00 H new ATOM 0 HB3 LYS A 35 50.570 40.348 -12.753 1.00 0.00 H new ATOM 0 HG2 LYS A 35 51.990 40.897 -10.909 1.00 0.00 H new ATOM 0 HG3 LYS A 35 50.376 40.811 -10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 35 50.846 38.440 -9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 35 52.479 38.592 -10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 35 52.829 40.602 -8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 35 51.214 40.386 -7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 52.850 39.404 -6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 51.859 38.190 -7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 53.428 38.422 -7.793 1.00 0.00 H new ATOM 528 N THR A 36 47.156 39.463 -10.775 1.00 0.00 N ATOM 529 CA THR A 36 46.208 40.329 -10.097 1.00 0.00 C ATOM 530 C THR A 36 46.013 39.857 -8.654 1.00 0.00 C ATOM 531 O THR A 36 45.067 40.281 -7.992 1.00 0.00 O ATOM 532 CB THR A 36 44.906 40.432 -10.903 1.00 0.00 C ATOM 533 OG1 THR A 36 44.062 41.409 -10.332 1.00 0.00 O ATOM 534 CG2 THR A 36 44.156 39.103 -10.985 1.00 0.00 C ATOM 0 H THR A 36 46.946 38.469 -10.684 1.00 0.00 H new ATOM 0 HA THR A 36 46.599 41.345 -10.037 1.00 0.00 H new ATOM 0 HB THR A 36 45.184 40.716 -11.918 1.00 0.00 H new ATOM 0 HG1 THR A 36 44.128 41.367 -9.355 1.00 0.00 H new ATOM 0 HG21 THR A 36 43.244 39.235 -11.566 1.00 0.00 H new ATOM 0 HG22 THR A 36 44.788 38.357 -11.467 1.00 0.00 H new ATOM 0 HG23 THR A 36 43.900 38.767 -9.980 1.00 0.00 H new ATOM 542 N CYS A 37 46.927 39.008 -8.155 1.00 0.00 N ATOM 543 CA CYS A 37 46.951 38.605 -6.757 1.00 0.00 C ATOM 544 C CYS A 37 48.362 38.781 -6.205 1.00 0.00 C ATOM 545 O CYS A 37 48.535 39.464 -5.198 1.00 0.00 O ATOM 546 CB CYS A 37 46.489 37.156 -6.609 1.00 0.00 C ATOM 547 SG CYS A 37 44.877 36.786 -7.349 1.00 0.00 S ATOM 548 OXT CYS A 37 49.354 38.148 -6.896 1.00 0.00 O ATOM 0 H CYS A 37 47.666 38.587 -8.718 1.00 0.00 H new ATOM 0 HA CYS A 37 46.265 39.234 -6.189 1.00 0.00 H new ATOM 0 HB2 CYS A 37 47.237 36.504 -7.060 1.00 0.00 H new ATOM 0 HB3 CYS A 37 46.450 36.910 -5.548 1.00 0.00 H new TER 554 CYS A 37