USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 6 HIS : no HD1:sc= 0.815 K(o=1.6,f=-1.9!) USER MOD Set 1.2: A 40 THR OG1 : rot 63:sc= 0.789 USER MOD Set 2.1: A 12 CYS SG : rot 180:sc= -0.517 USER MOD Set 2.2: A 14 HIS : no HD1:sc= 0 X(o=-0.21,f=-0.21) USER MOD Set 2.3: A 15 CYS SG : rot 83:sc= 0.275 USER MOD Set 2.4: A 61 TYR OH : rot -41:sc= 0.0288 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -141:sc= 0 (180deg=-0.804) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -76:sc= -0.635 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 104:sc= 0.0628 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.36) USER MOD Single : A 57 THR OG1 : rot -5:sc= 0.665 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 3 3.485 -9.603 -1.889 1.00 0.00 N ATOM 19 CA LEU A 3 2.834 -9.367 -0.605 1.00 0.00 C ATOM 20 C LEU A 3 1.408 -8.860 -0.803 1.00 0.00 C ATOM 21 O LEU A 3 1.127 -8.117 -1.743 1.00 0.00 O ATOM 22 CB LEU A 3 3.647 -8.370 0.229 1.00 0.00 C ATOM 23 CG LEU A 3 5.086 -8.800 0.539 1.00 0.00 C ATOM 24 CD1 LEU A 3 5.823 -7.678 1.258 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.069 -10.063 1.388 1.00 0.00 C ATOM 0 HA LEU A 3 2.785 -10.314 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.675 -7.417 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.125 -8.198 1.170 1.00 0.00 H new ATOM 0 HG LEU A 3 5.610 -9.011 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.844 -7.993 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.843 -6.791 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.310 -7.445 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.092 -10.368 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.541 -9.867 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.562 -10.860 0.844 1.00 0.00 H new ATOM 37 N SER A 4 0.512 -9.263 0.092 1.00 0.00 N ATOM 38 CA SER A 4 -0.868 -8.791 0.060 1.00 0.00 C ATOM 39 C SER A 4 -1.268 -8.195 1.405 1.00 0.00 C ATOM 40 O SER A 4 -1.079 -8.813 2.452 1.00 0.00 O ATOM 41 CB SER A 4 -1.801 -9.925 -0.318 1.00 0.00 C ATOM 42 OG SER A 4 -3.143 -9.522 -0.328 1.00 0.00 O ATOM 0 H SER A 4 0.717 -9.916 0.849 1.00 0.00 H new ATOM 0 HA SER A 4 -0.947 -8.008 -0.694 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.529 -10.304 -1.303 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.675 -10.748 0.386 1.00 0.00 H new ATOM 0 HG SER A 4 -3.711 -10.281 -0.578 1.00 0.00 H new ATOM 48 N PHE A 5 -1.824 -6.988 1.368 1.00 0.00 N ATOM 49 CA PHE A 5 -2.216 -6.290 2.586 1.00 0.00 C ATOM 50 C PHE A 5 -3.583 -5.633 2.420 1.00 0.00 C ATOM 51 O PHE A 5 -3.799 -4.848 1.496 1.00 0.00 O ATOM 52 CB PHE A 5 -1.167 -5.241 2.964 1.00 0.00 C ATOM 53 CG PHE A 5 -1.397 -4.610 4.307 1.00 0.00 C ATOM 54 CD1 PHE A 5 -1.210 -5.338 5.472 1.00 0.00 C ATOM 55 CD2 PHE A 5 -1.801 -3.287 4.409 1.00 0.00 C ATOM 56 CE1 PHE A 5 -1.422 -4.759 6.710 1.00 0.00 C ATOM 57 CE2 PHE A 5 -2.012 -2.705 5.644 1.00 0.00 C ATOM 58 CZ PHE A 5 -1.823 -3.442 6.796 1.00 0.00 C ATOM 0 H PHE A 5 -2.013 -6.474 0.508 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.283 -7.024 3.389 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.182 -5.707 2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.157 -4.460 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.895 -6.369 5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.952 -2.705 3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.274 -5.338 7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.325 -1.673 5.708 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.989 -2.989 7.762 1.00 0.00 H new ATOM 68 N HIS A 6 -4.503 -5.958 3.323 1.00 0.00 N ATOM 69 CA HIS A 6 -5.870 -5.456 3.237 1.00 0.00 C ATOM 70 C HIS A 6 -6.053 -4.225 4.119 1.00 0.00 C ATOM 71 O HIS A 6 -5.691 -4.231 5.295 1.00 0.00 O ATOM 72 CB HIS A 6 -6.873 -6.544 3.635 1.00 0.00 C ATOM 73 CG HIS A 6 -8.293 -6.069 3.668 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.052 -5.917 2.526 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.090 -5.712 4.702 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.258 -5.488 2.859 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.306 -5.355 4.171 1.00 0.00 N ATOM 0 H HIS A 6 -4.327 -6.567 4.122 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.058 -5.171 2.202 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.793 -7.374 2.933 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.605 -6.931 4.618 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.821 -5.708 5.748 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.066 -5.282 2.173 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.115 -5.038 4.705 1.00 0.00 H new ATOM 84 N VAL A 7 -6.617 -3.167 3.541 1.00 0.00 N ATOM 85 CA VAL A 7 -6.794 -1.909 4.257 1.00 0.00 C ATOM 86 C VAL A 7 -8.259 -1.490 4.276 1.00 0.00 C ATOM 87 O VAL A 7 -8.877 -1.313 3.227 1.00 0.00 O ATOM 88 CB VAL A 7 -5.953 -0.780 3.632 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.180 0.527 4.376 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.477 -1.147 3.640 1.00 0.00 C ATOM 0 H VAL A 7 -6.958 -3.157 2.580 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.454 -2.077 5.279 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.269 -0.648 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.578 1.314 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.234 0.799 4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.891 0.406 5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.898 -0.338 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.147 -1.307 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.326 -2.060 3.064 1.00 0.00 H new ATOM 100 N GLU A 8 -8.809 -1.330 5.475 1.00 0.00 N ATOM 101 CA GLU A 8 -10.220 -0.996 5.631 1.00 0.00 C ATOM 102 C GLU A 8 -10.507 0.407 5.103 1.00 0.00 C ATOM 103 O GLU A 8 -11.576 0.666 4.549 1.00 0.00 O ATOM 104 CB GLU A 8 -10.638 -1.105 7.099 1.00 0.00 C ATOM 105 CG GLU A 8 -10.760 -2.532 7.615 1.00 0.00 C ATOM 106 CD GLU A 8 -11.902 -3.255 6.957 1.00 0.00 C ATOM 107 OE1 GLU A 8 -12.991 -2.733 6.961 1.00 0.00 O ATOM 108 OE2 GLU A 8 -11.665 -4.274 6.354 1.00 0.00 O ATOM 0 H GLU A 8 -8.299 -1.426 6.353 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.803 -1.709 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.911 -0.571 7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.596 -0.601 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.830 -3.069 7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.909 -2.519 8.695 1.00 0.00 H new ATOM 115 N ASP A 9 -9.547 1.307 5.279 1.00 0.00 N ATOM 116 CA ASP A 9 -9.786 2.731 5.071 1.00 0.00 C ATOM 117 C ASP A 9 -9.859 3.057 3.582 1.00 0.00 C ATOM 118 O ASP A 9 -10.292 4.142 3.195 1.00 0.00 O ATOM 119 CB ASP A 9 -8.690 3.563 5.742 1.00 0.00 C ATOM 120 CG ASP A 9 -8.780 3.614 7.261 1.00 0.00 C ATOM 121 OD1 ASP A 9 -9.799 3.236 7.789 1.00 0.00 O ATOM 122 OD2 ASP A 9 -7.781 3.879 7.886 1.00 0.00 O ATOM 0 H ASP A 9 -8.596 1.077 5.565 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.744 2.983 5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.719 3.156 5.461 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.734 4.580 5.353 1.00 0.00 H new ATOM 127 N MET A 10 -9.431 2.111 2.753 1.00 0.00 N ATOM 128 CA MET A 10 -9.423 2.308 1.308 1.00 0.00 C ATOM 129 C MET A 10 -10.845 2.455 0.772 1.00 0.00 C ATOM 130 O MET A 10 -11.729 1.665 1.103 1.00 0.00 O ATOM 131 CB MET A 10 -8.713 1.145 0.618 1.00 0.00 C ATOM 132 CG MET A 10 -7.200 1.141 0.787 1.00 0.00 C ATOM 133 SD MET A 10 -6.418 -0.287 0.011 1.00 0.00 S ATOM 134 CE MET A 10 -6.363 0.245 -1.699 1.00 0.00 C ATOM 0 H MET A 10 -9.085 1.201 3.057 1.00 0.00 H new ATOM 0 HA MET A 10 -8.880 3.228 1.092 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.112 0.209 1.008 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.947 1.172 -0.446 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.788 2.054 0.357 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.957 1.151 1.850 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.586 -0.600 -2.350 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.101 1.031 -1.859 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.369 0.628 -1.929 1.00 0.00 H new ATOM 144 N THR A 11 -11.056 3.472 -0.058 1.00 0.00 N ATOM 145 CA THR A 11 -12.378 3.743 -0.611 1.00 0.00 C ATOM 146 C THR A 11 -12.338 3.794 -2.133 1.00 0.00 C ATOM 147 O THR A 11 -13.040 3.038 -2.807 1.00 0.00 O ATOM 148 CB THR A 11 -12.950 5.070 -0.078 1.00 0.00 C ATOM 149 OG1 THR A 11 -12.987 5.036 1.354 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.356 5.297 -0.613 1.00 0.00 C ATOM 0 H THR A 11 -10.330 4.121 -0.362 1.00 0.00 H new ATOM 0 HA THR A 11 -13.025 2.925 -0.295 1.00 0.00 H new ATOM 0 HB THR A 11 -12.309 5.886 -0.412 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.349 5.881 1.692 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.745 6.239 -0.226 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.329 5.335 -1.702 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.003 4.480 -0.295 1.00 0.00 H new ATOM 158 N CYS A 12 -11.514 4.686 -2.671 1.00 0.00 N ATOM 159 CA CYS A 12 -11.422 4.870 -4.114 1.00 0.00 C ATOM 160 C CYS A 12 -9.971 5.062 -4.547 1.00 0.00 C ATOM 161 O CYS A 12 -9.058 5.026 -3.724 1.00 0.00 O ATOM 162 CB CYS A 12 -12.228 6.149 -4.345 1.00 0.00 C ATOM 163 SG CYS A 12 -11.552 7.617 -3.531 1.00 0.00 S ATOM 0 H CYS A 12 -10.900 5.293 -2.129 1.00 0.00 H new ATOM 0 HA CYS A 12 -11.791 4.016 -4.682 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.287 6.338 -5.417 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.247 5.990 -3.993 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.306 8.643 -3.791 1.00 0.00 H new ATOM 169 N GLY A 13 -9.767 5.264 -5.846 1.00 0.00 N ATOM 170 CA GLY A 13 -8.422 5.360 -6.379 1.00 0.00 C ATOM 171 C GLY A 13 -7.645 6.522 -5.790 1.00 0.00 C ATOM 172 O GLY A 13 -6.416 6.545 -5.840 1.00 0.00 O ATOM 0 H GLY A 13 -10.510 5.363 -6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.888 4.431 -6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.471 5.472 -7.462 1.00 0.00 H new ATOM 176 N HIS A 14 -8.366 7.491 -5.233 1.00 0.00 N ATOM 177 CA HIS A 14 -7.736 8.657 -4.624 1.00 0.00 C ATOM 178 C HIS A 14 -7.119 8.298 -3.275 1.00 0.00 C ATOM 179 O HIS A 14 -6.231 8.995 -2.783 1.00 0.00 O ATOM 180 CB HIS A 14 -8.749 9.794 -4.455 1.00 0.00 C ATOM 181 CG HIS A 14 -9.259 10.344 -5.750 1.00 0.00 C ATOM 182 ND1 HIS A 14 -8.483 11.121 -6.586 1.00 0.00 N ATOM 183 CD2 HIS A 14 -10.464 10.229 -6.355 1.00 0.00 C ATOM 184 CE1 HIS A 14 -9.192 11.460 -7.649 1.00 0.00 C ATOM 185 NE2 HIS A 14 -10.396 10.932 -7.533 1.00 0.00 N ATOM 0 H HIS A 14 -9.385 7.491 -5.191 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.941 8.995 -5.289 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.593 9.433 -3.867 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.286 10.600 -3.886 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.319 9.686 -5.981 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.845 12.066 -8.473 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.154 11.030 -8.209 1.00 0.00 H new ATOM 192 N CYS A 15 -7.596 7.208 -2.682 1.00 0.00 N ATOM 193 CA CYS A 15 -7.018 6.697 -1.446 1.00 0.00 C ATOM 194 C CYS A 15 -5.929 5.670 -1.739 1.00 0.00 C ATOM 195 O CYS A 15 -4.896 5.637 -1.069 1.00 0.00 O ATOM 196 CB CYS A 15 -8.214 6.035 -0.761 1.00 0.00 C ATOM 197 SG CYS A 15 -9.538 7.178 -0.299 1.00 0.00 S ATOM 0 H CYS A 15 -8.381 6.662 -3.038 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.543 7.469 -0.841 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.623 5.274 -1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.865 5.521 0.135 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.307 7.389 -1.326 1.00 0.00 H new ATOM 203 N ALA A 16 -6.167 4.833 -2.742 1.00 0.00 N ATOM 204 CA ALA A 16 -5.186 3.836 -3.155 1.00 0.00 C ATOM 205 C ALA A 16 -3.914 4.498 -3.672 1.00 0.00 C ATOM 206 O ALA A 16 -2.810 4.012 -3.438 1.00 0.00 O ATOM 207 CB ALA A 16 -5.779 2.922 -4.218 1.00 0.00 C ATOM 0 H ALA A 16 -7.031 4.825 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.923 3.238 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.036 2.183 -4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.655 2.414 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.071 3.514 -5.085 1.00 0.00 H new ATOM 213 N GLY A 17 -4.078 5.613 -4.379 1.00 0.00 N ATOM 214 CA GLY A 17 -2.935 6.319 -4.928 1.00 0.00 C ATOM 215 C GLY A 17 -1.998 6.830 -3.851 1.00 0.00 C ATOM 216 O GLY A 17 -0.779 6.816 -4.022 1.00 0.00 O ATOM 0 H GLY A 17 -4.982 6.039 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.388 5.654 -5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.285 7.158 -5.529 1.00 0.00 H new ATOM 220 N VAL A 18 -2.567 7.283 -2.740 1.00 0.00 N ATOM 221 CA VAL A 18 -1.775 7.798 -1.630 1.00 0.00 C ATOM 222 C VAL A 18 -0.903 6.705 -1.022 1.00 0.00 C ATOM 223 O VAL A 18 0.261 6.934 -0.695 1.00 0.00 O ATOM 224 CB VAL A 18 -2.669 8.401 -0.530 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.836 8.777 0.687 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.417 9.617 -1.057 1.00 0.00 C ATOM 0 H VAL A 18 -3.575 7.304 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.137 8.583 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.399 7.649 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.484 9.201 1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.343 7.888 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.084 9.512 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.043 10.030 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.701 10.371 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.043 9.322 -1.899 1.00 0.00 H new ATOM 236 N ILE A 19 -1.476 5.516 -0.872 1.00 0.00 N ATOM 237 CA ILE A 19 -0.729 4.365 -0.379 1.00 0.00 C ATOM 238 C ILE A 19 0.418 4.010 -1.319 1.00 0.00 C ATOM 239 O ILE A 19 1.542 3.762 -0.879 1.00 0.00 O ATOM 240 CB ILE A 19 -1.638 3.134 -0.205 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.634 3.362 0.934 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.803 1.889 0.054 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.733 2.328 1.001 1.00 0.00 C ATOM 0 H ILE A 19 -2.455 5.324 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.324 4.645 0.593 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.200 2.985 -1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.094 3.366 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.083 4.349 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.461 1.028 0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.133 1.718 -0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.216 2.027 0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.398 2.558 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.300 2.338 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.295 1.341 1.148 1.00 0.00 H new ATOM 255 N LYS A 20 0.131 3.991 -2.615 1.00 0.00 N ATOM 256 CA LYS A 20 1.150 3.729 -3.623 1.00 0.00 C ATOM 257 C LYS A 20 2.269 4.764 -3.546 1.00 0.00 C ATOM 258 O LYS A 20 3.446 4.430 -3.675 1.00 0.00 O ATOM 259 CB LYS A 20 0.533 3.721 -5.022 1.00 0.00 C ATOM 260 CG LYS A 20 1.533 3.498 -6.149 1.00 0.00 C ATOM 261 CD LYS A 20 0.830 3.328 -7.487 1.00 0.00 C ATOM 262 CE LYS A 20 1.828 3.099 -8.613 1.00 0.00 C ATOM 263 NZ LYS A 20 1.156 2.968 -9.934 1.00 0.00 N ATOM 0 H LYS A 20 -0.802 4.154 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 20 1.576 2.746 -3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.226 2.940 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.024 4.671 -5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.219 4.343 -6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.133 2.613 -5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.140 2.486 -7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.234 4.215 -7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.534 3.929 -8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.405 2.197 -8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.871 2.813 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.501 2.161 -9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.626 3.838 -10.142 1.00 0.00 H new ATOM 277 N GLY A 21 1.892 6.022 -3.333 1.00 0.00 N ATOM 278 CA GLY A 21 2.876 7.081 -3.220 1.00 0.00 C ATOM 279 C GLY A 21 3.792 6.897 -2.025 1.00 0.00 C ATOM 280 O GLY A 21 4.997 7.127 -2.117 1.00 0.00 O ATOM 0 H GLY A 21 0.923 6.325 -3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.474 7.115 -4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.365 8.040 -3.138 1.00 0.00 H new ATOM 284 N ALA A 22 3.218 6.483 -0.901 1.00 0.00 N ATOM 285 CA ALA A 22 3.995 6.234 0.307 1.00 0.00 C ATOM 286 C ALA A 22 4.982 5.092 0.100 1.00 0.00 C ATOM 287 O ALA A 22 6.130 5.163 0.543 1.00 0.00 O ATOM 288 CB ALA A 22 3.071 5.928 1.476 1.00 0.00 C ATOM 0 H ALA A 22 2.217 6.313 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 22 4.564 7.135 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.665 5.744 2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.409 6.776 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.476 5.044 1.248 1.00 0.00 H new ATOM 294 N ILE A 23 4.531 4.041 -0.578 1.00 0.00 N ATOM 295 CA ILE A 23 5.376 2.882 -0.841 1.00 0.00 C ATOM 296 C ILE A 23 6.552 3.251 -1.738 1.00 0.00 C ATOM 297 O ILE A 23 7.698 2.918 -1.442 1.00 0.00 O ATOM 298 CB ILE A 23 4.577 1.740 -1.496 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.569 1.155 -0.504 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.518 0.657 -2.004 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.561 0.224 -1.136 1.00 0.00 C ATOM 0 H ILE A 23 3.586 3.968 -0.955 1.00 0.00 H new ATOM 0 HA ILE A 23 5.754 2.541 0.123 1.00 0.00 H new ATOM 0 HB ILE A 23 4.027 2.145 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.110 0.616 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.038 1.972 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.938 -0.143 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.198 1.083 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.093 0.254 -1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.881 -0.150 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.993 0.763 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.081 -0.614 -1.600 1.00 0.00 H new ATOM 313 N GLU A 24 6.256 3.941 -2.836 1.00 0.00 N ATOM 314 CA GLU A 24 7.288 4.335 -3.789 1.00 0.00 C ATOM 315 C GLU A 24 8.237 5.359 -3.172 1.00 0.00 C ATOM 316 O GLU A 24 9.441 5.339 -3.427 1.00 0.00 O ATOM 317 CB GLU A 24 6.655 4.900 -5.062 1.00 0.00 C ATOM 318 CG GLU A 24 7.655 5.286 -6.144 1.00 0.00 C ATOM 319 CD GLU A 24 8.393 4.082 -6.659 1.00 0.00 C ATOM 320 OE1 GLU A 24 7.963 2.986 -6.392 1.00 0.00 O ATOM 321 OE2 GLU A 24 9.321 4.258 -7.413 1.00 0.00 O ATOM 0 H GLU A 24 5.313 4.238 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 24 7.864 3.447 -4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.965 4.161 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.064 5.778 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.133 5.775 -6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.367 6.008 -5.744 1.00 0.00 H new ATOM 328 N LYS A 25 7.684 6.254 -2.360 1.00 0.00 N ATOM 329 CA LYS A 25 8.471 7.315 -1.742 1.00 0.00 C ATOM 330 C LYS A 25 9.551 6.733 -0.837 1.00 0.00 C ATOM 331 O LYS A 25 10.694 7.196 -0.840 1.00 0.00 O ATOM 332 CB LYS A 25 7.568 8.259 -0.947 1.00 0.00 C ATOM 333 CG LYS A 25 8.300 9.419 -0.283 1.00 0.00 C ATOM 334 CD LYS A 25 7.328 10.361 0.412 1.00 0.00 C ATOM 335 CE LYS A 25 8.061 11.502 1.104 1.00 0.00 C ATOM 336 NZ LYS A 25 7.124 12.421 1.805 1.00 0.00 N ATOM 0 H LYS A 25 6.694 6.266 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 25 8.957 7.882 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.805 8.661 -1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.049 7.685 -0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.016 9.032 0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.870 9.969 -1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.627 10.766 -0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.741 9.806 1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.773 11.094 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.636 12.063 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.663 13.183 2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.460 12.831 1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.593 11.892 2.526 1.00 0.00 H new ATOM 350 N THR A 26 9.187 5.717 -0.063 1.00 0.00 N ATOM 351 CA THR A 26 10.110 5.108 0.886 1.00 0.00 C ATOM 352 C THR A 26 10.864 3.946 0.250 1.00 0.00 C ATOM 353 O THR A 26 11.945 3.572 0.705 1.00 0.00 O ATOM 354 CB THR A 26 9.377 4.607 2.144 1.00 0.00 C ATOM 355 OG1 THR A 26 8.411 3.615 1.774 1.00 0.00 O ATOM 356 CG2 THR A 26 8.674 5.758 2.846 1.00 0.00 C ATOM 0 H THR A 26 8.257 5.297 -0.075 1.00 0.00 H new ATOM 0 HA THR A 26 10.820 5.882 1.177 1.00 0.00 H new ATOM 0 HB THR A 26 10.110 4.174 2.825 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.635 4.051 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.161 5.385 3.733 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.408 6.508 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.947 6.208 2.169 1.00 0.00 H new ATOM 364 N VAL A 27 10.286 3.376 -0.803 1.00 0.00 N ATOM 365 CA VAL A 27 10.934 2.299 -1.541 1.00 0.00 C ATOM 366 C VAL A 27 10.877 2.549 -3.043 1.00 0.00 C ATOM 367 O VAL A 27 9.888 2.245 -3.711 1.00 0.00 O ATOM 368 CB VAL A 27 10.288 0.935 -1.232 1.00 0.00 C ATOM 369 CG1 VAL A 27 11.018 -0.179 -1.967 1.00 0.00 C ATOM 370 CG2 VAL A 27 10.289 0.672 0.267 1.00 0.00 C ATOM 0 H VAL A 27 9.370 3.643 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 27 11.975 2.279 -1.219 1.00 0.00 H new ATOM 0 HB VAL A 27 9.255 0.958 -1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.548 -1.135 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.969 0.001 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.061 -0.202 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.829 -0.296 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.315 0.669 0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.724 1.454 0.774 1.00 0.00 H new ATOM 380 N PRO A 28 11.961 3.117 -3.589 1.00 0.00 N ATOM 381 CA PRO A 28 12.041 3.463 -5.012 1.00 0.00 C ATOM 382 C PRO A 28 12.096 2.231 -5.907 1.00 0.00 C ATOM 383 O PRO A 28 12.828 1.281 -5.628 1.00 0.00 O ATOM 384 CB PRO A 28 13.321 4.299 -5.116 1.00 0.00 C ATOM 385 CG PRO A 28 14.146 3.863 -3.953 1.00 0.00 C ATOM 386 CD PRO A 28 13.160 3.576 -2.851 1.00 0.00 C ATOM 0 HA PRO A 28 11.157 4.003 -5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 28 13.837 4.119 -6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.103 5.366 -5.071 1.00 0.00 H new ATOM 0 HG2 PRO A 28 14.732 2.977 -4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.851 4.640 -3.657 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.530 2.812 -2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.951 4.464 -2.254 1.00 0.00 H new ATOM 394 N GLY A 29 11.319 2.250 -6.984 1.00 0.00 N ATOM 395 CA GLY A 29 11.302 1.133 -7.910 1.00 0.00 C ATOM 396 C GLY A 29 10.349 0.035 -7.477 1.00 0.00 C ATOM 397 O GLY A 29 10.319 -1.039 -8.075 1.00 0.00 O ATOM 0 H GLY A 29 10.699 3.021 -7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.015 1.490 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.308 0.723 -7.998 1.00 0.00 H new ATOM 401 N ALA A 30 9.570 0.307 -6.436 1.00 0.00 N ATOM 402 CA ALA A 30 8.615 -0.667 -5.921 1.00 0.00 C ATOM 403 C ALA A 30 7.428 -0.820 -6.865 1.00 0.00 C ATOM 404 O ALA A 30 6.923 0.162 -7.408 1.00 0.00 O ATOM 405 CB ALA A 30 8.142 -0.260 -4.535 1.00 0.00 C ATOM 0 H ALA A 30 9.581 1.194 -5.932 1.00 0.00 H new ATOM 0 HA ALA A 30 9.117 -1.632 -5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.429 -0.996 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.996 -0.208 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.661 0.717 -4.587 1.00 0.00 H new ATOM 411 N ALA A 31 6.985 -2.059 -7.055 1.00 0.00 N ATOM 412 CA ALA A 31 5.792 -2.331 -7.847 1.00 0.00 C ATOM 413 C ALA A 31 4.551 -2.407 -6.963 1.00 0.00 C ATOM 414 O ALA A 31 4.472 -3.237 -6.057 1.00 0.00 O ATOM 415 CB ALA A 31 5.962 -3.623 -8.634 1.00 0.00 C ATOM 0 H ALA A 31 7.435 -2.890 -6.671 1.00 0.00 H new ATOM 0 HA ALA A 31 5.657 -1.507 -8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.063 -3.813 -9.220 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.819 -3.532 -9.302 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.126 -4.451 -7.944 1.00 0.00 H new ATOM 421 N VAL A 32 3.584 -1.533 -7.231 1.00 0.00 N ATOM 422 CA VAL A 32 2.368 -1.471 -6.430 1.00 0.00 C ATOM 423 C VAL A 32 1.131 -1.688 -7.292 1.00 0.00 C ATOM 424 O VAL A 32 0.878 -0.936 -8.235 1.00 0.00 O ATOM 425 CB VAL A 32 2.242 -0.122 -5.697 1.00 0.00 C ATOM 426 CG1 VAL A 32 0.962 -0.079 -4.876 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.452 0.115 -4.806 1.00 0.00 C ATOM 0 H VAL A 32 3.620 -0.859 -7.996 1.00 0.00 H new ATOM 0 HA VAL A 32 2.437 -2.269 -5.691 1.00 0.00 H new ATOM 0 HB VAL A 32 2.201 0.672 -6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.890 0.881 -4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.103 -0.205 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.975 -0.882 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.346 1.072 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.522 -0.684 -4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.356 0.126 -5.415 1.00 0.00 H new ATOM 437 N HIS A 33 0.360 -2.720 -6.964 1.00 0.00 N ATOM 438 CA HIS A 33 -0.945 -2.929 -7.582 1.00 0.00 C ATOM 439 C HIS A 33 -2.058 -2.856 -6.541 1.00 0.00 C ATOM 440 O HIS A 33 -2.247 -3.784 -5.756 1.00 0.00 O ATOM 441 CB HIS A 33 -0.992 -4.276 -8.309 1.00 0.00 C ATOM 442 CG HIS A 33 0.043 -4.418 -9.382 1.00 0.00 C ATOM 443 ND1 HIS A 33 -0.120 -3.892 -10.646 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.253 -5.025 -9.380 1.00 0.00 C ATOM 445 CE1 HIS A 33 0.947 -4.170 -11.376 1.00 0.00 C ATOM 446 NE2 HIS A 33 1.793 -4.856 -10.631 1.00 0.00 N ATOM 0 H HIS A 33 0.617 -3.425 -6.273 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.100 -2.134 -8.311 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.860 -5.076 -7.581 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.980 -4.406 -8.750 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.708 -5.545 -8.550 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.100 -3.884 -12.406 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.702 -5.205 -10.936 1.00 0.00 H new ATOM 453 N ALA A 34 -2.790 -1.747 -6.542 1.00 0.00 N ATOM 454 CA ALA A 34 -3.770 -1.479 -5.497 1.00 0.00 C ATOM 455 C ALA A 34 -5.189 -1.516 -6.052 1.00 0.00 C ATOM 456 O ALA A 34 -5.449 -1.029 -7.152 1.00 0.00 O ATOM 457 CB ALA A 34 -3.492 -0.133 -4.845 1.00 0.00 C ATOM 0 H ALA A 34 -2.723 -1.020 -7.254 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.682 -2.261 -4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.232 0.054 -4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.495 -0.141 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.550 0.654 -5.597 1.00 0.00 H new ATOM 463 N ASP A 35 -6.105 -2.098 -5.286 1.00 0.00 N ATOM 464 CA ASP A 35 -7.513 -2.128 -5.663 1.00 0.00 C ATOM 465 C ASP A 35 -8.395 -1.658 -4.512 1.00 0.00 C ATOM 466 O ASP A 35 -8.616 -2.374 -3.535 1.00 0.00 O ATOM 467 CB ASP A 35 -7.923 -3.535 -6.103 1.00 0.00 C ATOM 468 CG ASP A 35 -9.381 -3.664 -6.520 1.00 0.00 C ATOM 469 OD1 ASP A 35 -10.141 -2.769 -6.236 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.692 -4.576 -7.250 1.00 0.00 O ATOM 0 H ASP A 35 -5.897 -2.556 -4.399 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.651 -1.446 -6.502 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.291 -3.840 -6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.729 -4.229 -5.285 1.00 0.00 H new ATOM 475 N PRO A 36 -8.909 -0.424 -4.624 1.00 0.00 N ATOM 476 CA PRO A 36 -9.701 0.203 -3.561 1.00 0.00 C ATOM 477 C PRO A 36 -11.130 -0.329 -3.513 1.00 0.00 C ATOM 478 O PRO A 36 -11.799 -0.244 -2.484 1.00 0.00 O ATOM 479 CB PRO A 36 -9.696 1.685 -3.943 1.00 0.00 C ATOM 480 CG PRO A 36 -9.516 1.695 -5.423 1.00 0.00 C ATOM 481 CD PRO A 36 -8.625 0.525 -5.738 1.00 0.00 C ATOM 0 HA PRO A 36 -9.289 0.002 -2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.628 2.171 -3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.889 2.220 -3.443 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.475 1.604 -5.934 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.065 2.630 -5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.860 0.089 -6.709 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.574 0.814 -5.764 1.00 0.00 H new ATOM 489 N ALA A 37 -11.590 -0.880 -4.632 1.00 0.00 N ATOM 490 CA ALA A 37 -12.864 -1.586 -4.667 1.00 0.00 C ATOM 491 C ALA A 37 -12.796 -2.884 -3.869 1.00 0.00 C ATOM 492 O ALA A 37 -13.768 -3.284 -3.229 1.00 0.00 O ATOM 493 CB ALA A 37 -13.271 -1.869 -6.106 1.00 0.00 C ATOM 0 H ALA A 37 -11.099 -0.851 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.618 -0.947 -4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.225 -2.397 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.370 -0.928 -6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.510 -2.485 -6.585 1.00 0.00 H new ATOM 499 N SER A 38 -11.640 -3.538 -3.912 1.00 0.00 N ATOM 500 CA SER A 38 -11.393 -4.711 -3.080 1.00 0.00 C ATOM 501 C SER A 38 -10.672 -4.321 -1.793 1.00 0.00 C ATOM 502 O SER A 38 -10.453 -5.154 -0.914 1.00 0.00 O ATOM 503 CB SER A 38 -10.589 -5.740 -3.850 1.00 0.00 C ATOM 504 OG SER A 38 -11.278 -6.212 -4.974 1.00 0.00 O ATOM 0 H SER A 38 -10.859 -3.276 -4.514 1.00 0.00 H new ATOM 0 HA SER A 38 -12.354 -5.150 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.643 -5.299 -4.164 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.349 -6.577 -3.194 1.00 0.00 H new ATOM 0 HG SER A 38 -10.909 -5.798 -5.782 1.00 0.00 H new ATOM 510 N ARG A 39 -10.304 -3.048 -1.690 1.00 0.00 N ATOM 511 CA ARG A 39 -9.682 -2.527 -0.479 1.00 0.00 C ATOM 512 C ARG A 39 -8.407 -3.298 -0.147 1.00 0.00 C ATOM 513 O ARG A 39 -8.056 -3.466 1.021 1.00 0.00 O ATOM 514 CB ARG A 39 -10.645 -2.503 0.698 1.00 0.00 C ATOM 515 CG ARG A 39 -11.802 -1.527 0.558 1.00 0.00 C ATOM 516 CD ARG A 39 -12.527 -1.252 1.825 1.00 0.00 C ATOM 517 NE ARG A 39 -13.237 -2.395 2.374 1.00 0.00 N ATOM 518 CZ ARG A 39 -13.627 -2.509 3.659 1.00 0.00 C ATOM 519 NH1 ARG A 39 -13.346 -1.572 4.537 1.00 0.00 N ATOM 520 NH2 ARG A 39 -14.279 -3.601 4.019 1.00 0.00 N ATOM 0 H ARG A 39 -10.426 -2.358 -2.431 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.407 -1.491 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.049 -3.505 0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.087 -2.255 1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.422 -0.586 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.508 -1.921 -0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.813 -0.893 2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.240 -0.446 1.653 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.456 -3.165 1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.825 -0.743 4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.649 -1.674 5.506 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.474 -4.329 3.331 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.587 -3.716 4.985 1.00 0.00 H new ATOM 534 N THR A 40 -7.719 -3.768 -1.184 1.00 0.00 N ATOM 535 CA THR A 40 -6.555 -4.625 -1.002 1.00 0.00 C ATOM 536 C THR A 40 -5.372 -4.127 -1.824 1.00 0.00 C ATOM 537 O THR A 40 -5.528 -3.732 -2.980 1.00 0.00 O ATOM 538 CB THR A 40 -6.862 -6.084 -1.391 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.961 -6.569 -0.611 1.00 0.00 O ATOM 540 CG2 THR A 40 -5.646 -6.966 -1.151 1.00 0.00 C ATOM 0 H THR A 40 -7.948 -3.569 -2.158 1.00 0.00 H new ATOM 0 HA THR A 40 -6.299 -4.588 0.057 1.00 0.00 H new ATOM 0 HB THR A 40 -7.118 -6.116 -2.450 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.762 -6.041 -0.810 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.880 -7.993 -1.431 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.812 -6.607 -1.754 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.373 -6.931 -0.096 1.00 0.00 H new ATOM 548 N VAL A 41 -4.187 -4.146 -1.221 1.00 0.00 N ATOM 549 CA VAL A 41 -2.978 -3.692 -1.896 1.00 0.00 C ATOM 550 C VAL A 41 -2.002 -4.844 -2.111 1.00 0.00 C ATOM 551 O VAL A 41 -1.686 -5.586 -1.180 1.00 0.00 O ATOM 552 CB VAL A 41 -2.273 -2.576 -1.103 1.00 0.00 C ATOM 553 CG1 VAL A 41 -1.010 -2.127 -1.822 1.00 0.00 C ATOM 554 CG2 VAL A 41 -3.211 -1.398 -0.892 1.00 0.00 C ATOM 0 H VAL A 41 -4.039 -4.471 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.288 -3.297 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.992 -2.973 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.525 -1.338 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.329 -2.972 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.269 -1.748 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.696 -0.619 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.522 -1.003 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.089 -1.727 -0.336 1.00 0.00 H new ATOM 564 N VAL A 42 -1.528 -4.989 -3.344 1.00 0.00 N ATOM 565 CA VAL A 42 -0.507 -5.980 -3.660 1.00 0.00 C ATOM 566 C VAL A 42 0.850 -5.322 -3.883 1.00 0.00 C ATOM 567 O VAL A 42 0.986 -4.421 -4.711 1.00 0.00 O ATOM 568 CB VAL A 42 -0.882 -6.798 -4.909 1.00 0.00 C ATOM 569 CG1 VAL A 42 0.219 -7.793 -5.246 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.205 -7.520 -4.697 1.00 0.00 C ATOM 0 H VAL A 42 -1.835 -4.432 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.445 -6.651 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.995 -6.111 -5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.064 -8.362 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.147 -7.256 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.363 -8.474 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.454 -8.093 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.119 -8.195 -3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.991 -6.790 -4.504 1.00 0.00 H new ATOM 580 N VAL A 43 1.852 -5.778 -3.139 1.00 0.00 N ATOM 581 CA VAL A 43 3.144 -5.103 -3.099 1.00 0.00 C ATOM 582 C VAL A 43 4.258 -6.020 -3.588 1.00 0.00 C ATOM 583 O VAL A 43 4.385 -7.156 -3.135 1.00 0.00 O ATOM 584 CB VAL A 43 3.482 -4.610 -1.680 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.833 -3.911 -1.667 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.396 -3.675 -1.168 1.00 0.00 C ATOM 0 H VAL A 43 1.794 -6.613 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 43 3.069 -4.241 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 43 3.534 -5.475 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.056 -3.569 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.606 -4.607 -1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.807 -3.056 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.651 -3.336 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.314 -2.814 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.443 -4.204 -1.141 1.00 0.00 H new ATOM 596 N GLY A 44 5.067 -5.519 -4.518 1.00 0.00 N ATOM 597 CA GLY A 44 6.183 -6.294 -5.026 1.00 0.00 C ATOM 598 C GLY A 44 7.394 -6.233 -4.117 1.00 0.00 C ATOM 599 O GLY A 44 7.263 -6.027 -2.910 1.00 0.00 O ATOM 0 H GLY A 44 4.969 -4.590 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.875 -7.333 -5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.456 -5.926 -6.015 1.00 0.00 H new ATOM 603 N GLY A 45 8.578 -6.413 -4.695 1.00 0.00 N ATOM 604 CA GLY A 45 9.793 -6.451 -3.902 1.00 0.00 C ATOM 605 C GLY A 45 9.960 -5.215 -3.039 1.00 0.00 C ATOM 606 O GLY A 45 10.125 -4.108 -3.554 1.00 0.00 O ATOM 0 H GLY A 45 8.717 -6.533 -5.698 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.781 -7.336 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.653 -6.547 -4.565 1.00 0.00 H new ATOM 610 N VAL A 46 9.917 -5.404 -1.725 1.00 0.00 N ATOM 611 CA VAL A 46 10.095 -4.301 -0.789 1.00 0.00 C ATOM 612 C VAL A 46 10.846 -4.754 0.459 1.00 0.00 C ATOM 613 O VAL A 46 11.131 -5.940 0.627 1.00 0.00 O ATOM 614 CB VAL A 46 8.743 -3.691 -0.370 1.00 0.00 C ATOM 615 CG1 VAL A 46 8.078 -3.007 -1.555 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.831 -4.763 0.205 1.00 0.00 C ATOM 0 H VAL A 46 9.760 -6.310 -1.284 1.00 0.00 H new ATOM 0 HA VAL A 46 10.681 -3.541 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 46 8.926 -2.944 0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.125 -2.582 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.725 -2.212 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.907 -3.736 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.881 -4.315 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.654 -5.532 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.303 -5.212 1.079 1.00 0.00 H new ATOM 626 N SER A 47 11.165 -3.802 1.330 1.00 0.00 N ATOM 627 CA SER A 47 11.775 -4.118 2.617 1.00 0.00 C ATOM 628 C SER A 47 10.852 -4.996 3.454 1.00 0.00 C ATOM 629 O SER A 47 9.753 -5.350 3.025 1.00 0.00 O ATOM 630 CB SER A 47 12.114 -2.842 3.363 1.00 0.00 C ATOM 631 OG SER A 47 10.966 -2.147 3.766 1.00 0.00 O ATOM 0 H SER A 47 11.012 -2.807 1.169 1.00 0.00 H new ATOM 0 HA SER A 47 12.695 -4.673 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.717 -3.083 4.238 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.721 -2.200 2.725 1.00 0.00 H new ATOM 0 HG SER A 47 11.228 -1.333 4.244 1.00 0.00 H new ATOM 637 N ASP A 48 11.306 -5.346 4.654 1.00 0.00 N ATOM 638 CA ASP A 48 10.579 -6.281 5.504 1.00 0.00 C ATOM 639 C ASP A 48 9.075 -6.051 5.402 1.00 0.00 C ATOM 640 O ASP A 48 8.600 -4.920 5.510 1.00 0.00 O ATOM 641 CB ASP A 48 11.036 -6.151 6.960 1.00 0.00 C ATOM 642 CG ASP A 48 10.356 -7.118 7.921 1.00 0.00 C ATOM 643 OD1 ASP A 48 9.478 -7.828 7.494 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.823 -7.249 9.026 1.00 0.00 O ATOM 0 H ASP A 48 12.174 -4.996 5.059 1.00 0.00 H new ATOM 0 HA ASP A 48 10.797 -7.291 5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.113 -6.310 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.850 -5.131 7.297 1.00 0.00 H new ATOM 649 N ALA A 49 8.330 -7.131 5.190 1.00 0.00 N ATOM 650 CA ALA A 49 6.884 -7.040 5.020 1.00 0.00 C ATOM 651 C ALA A 49 6.238 -6.312 6.194 1.00 0.00 C ATOM 652 O ALA A 49 5.222 -5.637 6.033 1.00 0.00 O ATOM 653 CB ALA A 49 6.284 -8.430 4.864 1.00 0.00 C ATOM 0 H ALA A 49 8.703 -8.079 5.132 1.00 0.00 H new ATOM 0 HA ALA A 49 6.684 -6.465 4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.204 -8.348 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.716 -8.917 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.502 -9.022 5.753 1.00 0.00 H new ATOM 659 N ALA A 50 6.833 -6.454 7.373 1.00 0.00 N ATOM 660 CA ALA A 50 6.387 -5.716 8.547 1.00 0.00 C ATOM 661 C ALA A 50 6.546 -4.213 8.345 1.00 0.00 C ATOM 662 O ALA A 50 5.673 -3.430 8.722 1.00 0.00 O ATOM 663 CB ALA A 50 7.157 -6.169 9.780 1.00 0.00 C ATOM 0 H ALA A 50 7.626 -7.074 7.540 1.00 0.00 H new ATOM 0 HA ALA A 50 5.328 -5.926 8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.813 -5.609 10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.988 -7.233 9.944 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.222 -5.989 9.630 1.00 0.00 H new ATOM 669 N HIS A 51 7.665 -3.816 7.747 1.00 0.00 N ATOM 670 CA HIS A 51 7.977 -2.402 7.569 1.00 0.00 C ATOM 671 C HIS A 51 7.049 -1.766 6.540 1.00 0.00 C ATOM 672 O HIS A 51 6.560 -0.653 6.735 1.00 0.00 O ATOM 673 CB HIS A 51 9.438 -2.217 7.146 1.00 0.00 C ATOM 674 CG HIS A 51 10.423 -2.563 8.219 1.00 0.00 C ATOM 675 ND1 HIS A 51 11.776 -2.684 7.976 1.00 0.00 N ATOM 676 CD2 HIS A 51 10.254 -2.813 9.538 1.00 0.00 C ATOM 677 CE1 HIS A 51 12.395 -2.993 9.102 1.00 0.00 C ATOM 678 NE2 HIS A 51 11.495 -3.079 10.064 1.00 0.00 N ATOM 0 H HIS A 51 8.371 -4.453 7.378 1.00 0.00 H new ATOM 0 HA HIS A 51 7.826 -1.904 8.527 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.635 -2.836 6.271 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.591 -1.181 6.844 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.318 -2.805 10.077 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.458 -3.149 9.216 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.689 -3.306 11.039 1.00 0.00 H new ATOM 685 N ILE A 52 6.812 -2.479 5.444 1.00 0.00 N ATOM 686 CA ILE A 52 6.001 -1.955 4.352 1.00 0.00 C ATOM 687 C ILE A 52 4.533 -1.860 4.755 1.00 0.00 C ATOM 688 O ILE A 52 3.795 -1.011 4.254 1.00 0.00 O ATOM 689 CB ILE A 52 6.125 -2.825 3.088 1.00 0.00 C ATOM 690 CG1 ILE A 52 5.619 -2.061 1.862 1.00 0.00 C ATOM 691 CG2 ILE A 52 5.358 -4.127 3.262 1.00 0.00 C ATOM 692 CD1 ILE A 52 6.411 -0.810 1.553 1.00 0.00 C ATOM 0 H ILE A 52 7.170 -3.421 5.289 1.00 0.00 H new ATOM 0 HA ILE A 52 6.378 -0.957 4.129 1.00 0.00 H new ATOM 0 HB ILE A 52 7.177 -3.064 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.649 -2.722 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.575 -1.789 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.456 -4.730 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.763 -4.677 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.305 -3.908 3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.993 -0.323 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.361 -0.128 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.451 -1.076 1.362 1.00 0.00 H new ATOM 704 N ALA A 53 4.116 -2.738 5.660 1.00 0.00 N ATOM 705 CA ALA A 53 2.785 -2.654 6.248 1.00 0.00 C ATOM 706 C ALA A 53 2.629 -1.383 7.076 1.00 0.00 C ATOM 707 O ALA A 53 1.585 -0.733 7.039 1.00 0.00 O ATOM 708 CB ALA A 53 2.509 -3.881 7.105 1.00 0.00 C ATOM 0 H ALA A 53 4.680 -3.516 6.002 1.00 0.00 H new ATOM 0 HA ALA A 53 2.058 -2.619 5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.512 -3.805 7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.569 -4.777 6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.248 -3.940 7.904 1.00 0.00 H new ATOM 714 N GLU A 54 3.673 -1.036 7.822 1.00 0.00 N ATOM 715 CA GLU A 54 3.696 0.217 8.567 1.00 0.00 C ATOM 716 C GLU A 54 3.737 1.413 7.620 1.00 0.00 C ATOM 717 O GLU A 54 3.136 2.453 7.888 1.00 0.00 O ATOM 718 CB GLU A 54 4.893 0.255 9.520 1.00 0.00 C ATOM 719 CG GLU A 54 4.791 -0.707 10.695 1.00 0.00 C ATOM 720 CD GLU A 54 6.062 -0.722 11.499 1.00 0.00 C ATOM 721 OE1 GLU A 54 6.997 -0.066 11.108 1.00 0.00 O ATOM 722 OE2 GLU A 54 6.061 -1.296 12.563 1.00 0.00 O ATOM 0 H GLU A 54 4.513 -1.605 7.926 1.00 0.00 H new ATOM 0 HA GLU A 54 2.780 0.276 9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.798 0.027 8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.004 1.269 9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.957 -0.417 11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.578 -1.711 10.329 1.00 0.00 H new ATOM 729 N ILE A 55 4.454 1.256 6.511 1.00 0.00 N ATOM 730 CA ILE A 55 4.535 2.304 5.501 1.00 0.00 C ATOM 731 C ILE A 55 3.178 2.550 4.852 1.00 0.00 C ATOM 732 O ILE A 55 2.802 3.694 4.589 1.00 0.00 O ATOM 733 CB ILE A 55 5.561 1.954 4.407 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.984 2.014 4.971 1.00 0.00 C ATOM 735 CG2 ILE A 55 5.416 2.895 3.221 1.00 0.00 C ATOM 736 CD1 ILE A 55 8.022 1.373 4.078 1.00 0.00 C ATOM 0 H ILE A 55 4.986 0.414 6.290 1.00 0.00 H new ATOM 0 HA ILE A 55 4.858 3.210 6.013 1.00 0.00 H new ATOM 0 HB ILE A 55 5.369 0.937 4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.255 3.057 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.001 1.521 5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.149 2.634 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.412 2.806 2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.583 3.921 3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.004 1.455 4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.776 0.321 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.035 1.880 3.113 1.00 0.00 H new ATOM 748 N ILE A 56 2.445 1.471 4.598 1.00 0.00 N ATOM 749 CA ILE A 56 1.094 1.575 4.063 1.00 0.00 C ATOM 750 C ILE A 56 0.170 2.300 5.036 1.00 0.00 C ATOM 751 O ILE A 56 -0.603 3.173 4.642 1.00 0.00 O ATOM 752 CB ILE A 56 0.504 0.189 3.745 1.00 0.00 C ATOM 753 CG1 ILE A 56 1.220 -0.433 2.544 1.00 0.00 C ATOM 754 CG2 ILE A 56 -0.990 0.294 3.481 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.918 -1.901 2.344 1.00 0.00 C ATOM 0 H ILE A 56 2.765 0.515 4.754 1.00 0.00 H new ATOM 0 HA ILE A 56 1.165 2.149 3.139 1.00 0.00 H new ATOM 0 HB ILE A 56 0.655 -0.458 4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.938 0.112 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.295 -0.307 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.390 -0.695 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.488 0.697 4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.164 0.956 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.462 -2.269 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.226 -2.460 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.152 -2.034 2.186 1.00 0.00 H new ATOM 767 N THR A 57 0.258 1.933 6.312 1.00 0.00 N ATOM 768 CA THR A 57 -0.542 2.572 7.348 1.00 0.00 C ATOM 769 C THR A 57 -0.062 3.995 7.613 1.00 0.00 C ATOM 770 O THR A 57 -0.827 4.841 8.077 1.00 0.00 O ATOM 771 CB THR A 57 -0.504 1.773 8.664 1.00 0.00 C ATOM 772 OG1 THR A 57 0.849 1.662 9.121 1.00 0.00 O ATOM 773 CG2 THR A 57 -1.083 0.381 8.460 1.00 0.00 C ATOM 0 H THR A 57 0.876 1.196 6.651 1.00 0.00 H new ATOM 0 HA THR A 57 -1.568 2.600 6.982 1.00 0.00 H new ATOM 0 HB THR A 57 -1.103 2.299 9.408 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.452 2.053 8.455 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.048 -0.169 9.400 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.117 0.463 8.126 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.499 -0.149 7.708 1.00 0.00 H new ATOM 781 N ALA A 58 1.207 4.252 7.316 1.00 0.00 N ATOM 782 CA ALA A 58 1.777 5.582 7.483 1.00 0.00 C ATOM 783 C ALA A 58 1.126 6.581 6.532 1.00 0.00 C ATOM 784 O ALA A 58 1.217 7.792 6.730 1.00 0.00 O ATOM 785 CB ALA A 58 3.282 5.543 7.263 1.00 0.00 C ATOM 0 H ALA A 58 1.860 3.555 6.958 1.00 0.00 H new ATOM 0 HA ALA A 58 1.579 5.910 8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.694 6.544 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.738 4.867 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.493 5.190 6.254 1.00 0.00 H new ATOM 791 N ALA A 59 0.471 6.065 5.497 1.00 0.00 N ATOM 792 CA ALA A 59 -0.218 6.910 4.530 1.00 0.00 C ATOM 793 C ALA A 59 -1.555 7.396 5.079 1.00 0.00 C ATOM 794 O ALA A 59 -2.255 8.176 4.435 1.00 0.00 O ATOM 795 CB ALA A 59 -0.424 6.157 3.224 1.00 0.00 C ATOM 0 H ALA A 59 0.403 5.065 5.307 1.00 0.00 H new ATOM 0 HA ALA A 59 0.405 7.784 4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.940 6.800 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.544 5.865 2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.024 5.266 3.409 1.00 0.00 H new ATOM 801 N GLY A 60 -1.903 6.930 6.275 1.00 0.00 N ATOM 802 CA GLY A 60 -3.153 7.333 6.894 1.00 0.00 C ATOM 803 C GLY A 60 -4.285 6.371 6.597 1.00 0.00 C ATOM 804 O GLY A 60 -5.429 6.609 6.986 1.00 0.00 O ATOM 0 H GLY A 60 -1.342 6.281 6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.014 7.403 7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.425 8.328 6.542 1.00 0.00 H new ATOM 808 N TYR A 61 -3.967 5.282 5.907 1.00 0.00 N ATOM 809 CA TYR A 61 -4.956 4.253 5.605 1.00 0.00 C ATOM 810 C TYR A 61 -4.565 2.920 6.236 1.00 0.00 C ATOM 811 O TYR A 61 -3.557 2.315 5.869 1.00 0.00 O ATOM 812 CB TYR A 61 -5.117 4.091 4.092 1.00 0.00 C ATOM 813 CG TYR A 61 -5.561 5.353 3.384 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.908 5.646 3.232 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.632 6.246 2.869 1.00 0.00 C ATOM 816 CE1 TYR A 61 -7.320 6.796 2.588 1.00 0.00 C ATOM 817 CE2 TYR A 61 -5.033 7.399 2.223 1.00 0.00 C ATOM 818 CZ TYR A 61 -6.379 7.671 2.084 1.00 0.00 C ATOM 819 OH TYR A 61 -6.783 8.817 1.440 1.00 0.00 O ATOM 0 H TYR A 61 -3.033 5.088 5.546 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.910 4.568 6.029 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.168 3.763 3.668 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.843 3.302 3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.647 4.963 3.624 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.578 6.036 2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.373 7.010 2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.297 8.084 1.829 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.549 8.615 0.863 1.00 0.00 H new ATOM 829 N THR A 62 -5.371 2.467 7.192 1.00 0.00 N ATOM 830 CA THR A 62 -5.042 1.280 7.970 1.00 0.00 C ATOM 831 C THR A 62 -6.295 0.478 8.304 1.00 0.00 C ATOM 832 O THR A 62 -7.357 1.030 8.590 1.00 0.00 O ATOM 833 CB THR A 62 -4.314 1.644 9.277 1.00 0.00 C ATOM 834 OG1 THR A 62 -4.016 0.449 10.010 1.00 0.00 O ATOM 835 CG2 THR A 62 -5.178 2.558 10.132 1.00 0.00 C ATOM 0 H THR A 62 -6.257 2.905 7.445 1.00 0.00 H new ATOM 0 HA THR A 62 -4.378 0.674 7.354 1.00 0.00 H new ATOM 0 HB THR A 62 -3.390 2.165 9.028 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.551 0.682 10.841 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.647 2.805 11.052 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.395 3.473 9.581 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.112 2.052 10.377 1.00 0.00 H new