USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot -92:sc= 1.07 USER MOD Single : A 7 SER OG : rot 180:sc= 0.00135 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 76:sc= 0.801 USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.19) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 1.19 K(o=1.2,f=-0.048) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0537 USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= 0.58 (180deg=-1.41) USER MOD Single : A 30 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.25) USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.0413 K(o=0.041,f=-0.89) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0496 F(o=-0.86,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -4.606 8.435 -2.479 1.00 0.00 N ATOM 35 CA LEU A 3 -4.612 9.033 -1.155 1.00 0.00 C ATOM 36 C LEU A 3 -3.275 9.709 -0.893 1.00 0.00 C ATOM 37 O LEU A 3 -2.408 9.729 -1.771 1.00 0.00 O ATOM 38 CB LEU A 3 -4.898 7.977 -0.084 1.00 0.00 C ATOM 39 CG LEU A 3 -6.225 7.230 -0.237 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.471 6.341 0.969 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.377 8.205 -0.421 1.00 0.00 C ATOM 0 HA LEU A 3 -5.404 9.780 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.087 7.248 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.883 8.461 0.893 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.164 6.604 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.418 5.816 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.662 5.615 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.509 6.953 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.309 7.651 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.442 8.860 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.207 8.804 -1.315 1.00 0.00 H new ATOM 53 N ARG A 4 -3.110 10.299 0.284 1.00 0.00 N ATOM 54 CA ARG A 4 -1.837 10.903 0.642 1.00 0.00 C ATOM 55 C ARG A 4 -0.808 9.822 0.958 1.00 0.00 C ATOM 56 O ARG A 4 -0.761 9.279 2.066 1.00 0.00 O ATOM 57 CB ARG A 4 -1.983 11.866 1.820 1.00 0.00 C ATOM 58 CG ARG A 4 -0.684 12.555 2.196 1.00 0.00 C ATOM 59 CD ARG A 4 -0.914 13.652 3.216 1.00 0.00 C ATOM 60 NE ARG A 4 0.331 14.322 3.590 1.00 0.00 N ATOM 61 CZ ARG A 4 0.495 15.646 3.575 1.00 0.00 C ATOM 62 NH1 ARG A 4 -0.478 16.438 3.146 1.00 0.00 N ATOM 63 NH2 ARG A 4 1.638 16.180 3.980 1.00 0.00 N ATOM 0 H ARG A 4 -3.834 10.371 0.999 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.490 11.481 -0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.729 12.622 1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.359 11.318 2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.015 11.822 2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.223 12.977 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.612 14.384 2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.379 13.228 4.106 1.00 0.00 H new ATOM 0 HE ARG A 4 1.120 13.743 3.879 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.359 16.036 2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.346 17.449 3.137 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.395 15.579 4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.761 17.193 3.967 1.00 0.00 H new ATOM 77 N TRP A 5 0.000 9.496 -0.039 1.00 0.00 N ATOM 78 CA TRP A 5 1.047 8.504 0.117 1.00 0.00 C ATOM 79 C TRP A 5 2.277 9.125 0.753 1.00 0.00 C ATOM 80 O TRP A 5 2.816 10.109 0.246 1.00 0.00 O ATOM 81 CB TRP A 5 1.413 7.886 -1.237 1.00 0.00 C ATOM 82 CG TRP A 5 0.359 6.977 -1.798 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.838 7.336 -2.358 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.419 5.548 -1.868 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.535 6.214 -2.744 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.780 5.106 -2.459 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.365 4.597 -1.480 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -1.053 3.762 -2.675 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.094 3.261 -1.697 1.00 0.00 C ATOM 90 CH2 TRP A 5 -0.108 2.854 -2.288 1.00 0.00 C ATOM 0 H TRP A 5 -0.052 9.909 -0.970 1.00 0.00 H new ATOM 0 HA TRP A 5 0.673 7.716 0.770 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.604 8.687 -1.951 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.342 7.326 -1.130 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.185 8.352 -2.479 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.461 6.208 -3.172 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.293 4.901 -1.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.979 3.446 -3.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.821 2.517 -1.406 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.292 1.801 -2.441 1.00 0.00 H new ATOM 101 N THR A 6 2.713 8.561 1.870 1.00 0.00 N ATOM 102 CA THR A 6 3.936 9.007 2.508 1.00 0.00 C ATOM 103 C THR A 6 5.130 8.650 1.632 1.00 0.00 C ATOM 104 O THR A 6 5.057 7.714 0.834 1.00 0.00 O ATOM 105 CB THR A 6 4.107 8.384 3.908 1.00 0.00 C ATOM 106 OG1 THR A 6 3.891 6.970 3.850 1.00 0.00 O ATOM 107 CG2 THR A 6 3.138 9.000 4.898 1.00 0.00 C ATOM 0 H THR A 6 2.238 7.796 2.349 1.00 0.00 H new ATOM 0 HA THR A 6 3.878 10.089 2.631 1.00 0.00 H new ATOM 0 HB THR A 6 5.125 8.584 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.950 6.775 4.044 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.279 8.543 5.878 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.322 10.072 4.968 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.116 8.828 4.561 1.00 0.00 H new ATOM 115 N SER A 7 6.220 9.387 1.781 1.00 0.00 N ATOM 116 CA SER A 7 7.389 9.206 0.932 1.00 0.00 C ATOM 117 C SER A 7 7.920 7.771 1.016 1.00 0.00 C ATOM 118 O SER A 7 8.373 7.202 0.017 1.00 0.00 O ATOM 119 CB SER A 7 8.466 10.203 1.346 1.00 0.00 C ATOM 120 OG SER A 7 7.914 11.508 1.478 1.00 0.00 O ATOM 0 H SER A 7 6.320 10.119 2.484 1.00 0.00 H new ATOM 0 HA SER A 7 7.104 9.386 -0.105 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.912 9.893 2.291 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.265 10.213 0.604 1.00 0.00 H new ATOM 0 HG SER A 7 8.618 12.135 1.746 1.00 0.00 H new ATOM 126 N GLU A 8 7.844 7.182 2.204 1.00 0.00 N ATOM 127 CA GLU A 8 8.279 5.807 2.396 1.00 0.00 C ATOM 128 C GLU A 8 7.276 4.826 1.802 1.00 0.00 C ATOM 129 O GLU A 8 7.660 3.803 1.243 1.00 0.00 O ATOM 130 CB GLU A 8 8.491 5.515 3.877 1.00 0.00 C ATOM 131 CG GLU A 8 9.668 6.264 4.470 1.00 0.00 C ATOM 132 CD GLU A 8 9.867 5.967 5.936 1.00 0.00 C ATOM 133 OE1 GLU A 8 10.308 4.847 6.270 1.00 0.00 O ATOM 134 OE2 GLU A 8 9.583 6.857 6.766 1.00 0.00 O ATOM 0 H GLU A 8 7.486 7.635 3.045 1.00 0.00 H new ATOM 0 HA GLU A 8 9.228 5.680 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.587 5.779 4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.645 4.444 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.574 6.001 3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.516 7.335 4.338 1.00 0.00 H new ATOM 141 N ALA A 9 5.990 5.146 1.909 1.00 0.00 N ATOM 142 CA ALA A 9 4.948 4.294 1.348 1.00 0.00 C ATOM 143 C ALA A 9 5.077 4.227 -0.169 1.00 0.00 C ATOM 144 O ALA A 9 4.933 3.162 -0.768 1.00 0.00 O ATOM 145 CB ALA A 9 3.568 4.796 1.736 1.00 0.00 C ATOM 0 H ALA A 9 5.646 5.985 2.377 1.00 0.00 H new ATOM 0 HA ALA A 9 5.074 3.292 1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.809 4.143 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.473 4.796 2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.431 5.810 1.360 1.00 0.00 H new ATOM 151 N LYS A 10 5.354 5.375 -0.778 1.00 0.00 N ATOM 152 CA LYS A 10 5.582 5.456 -2.218 1.00 0.00 C ATOM 153 C LYS A 10 6.742 4.557 -2.626 1.00 0.00 C ATOM 154 O LYS A 10 6.653 3.809 -3.598 1.00 0.00 O ATOM 155 CB LYS A 10 5.876 6.903 -2.626 1.00 0.00 C ATOM 156 CG LYS A 10 4.757 7.869 -2.277 1.00 0.00 C ATOM 157 CD LYS A 10 5.100 9.300 -2.660 1.00 0.00 C ATOM 158 CE LYS A 10 5.285 9.442 -4.159 1.00 0.00 C ATOM 159 NZ LYS A 10 5.504 10.853 -4.561 1.00 0.00 N ATOM 0 H LYS A 10 5.427 6.269 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 10 4.681 5.118 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.794 7.231 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.056 6.940 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.844 7.566 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.555 7.819 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.307 9.968 -2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.012 9.607 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.134 8.838 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.406 9.051 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.626 10.905 -5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.683 11.426 -4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.358 11.219 -4.093 1.00 0.00 H new ATOM 173 N THR A 11 7.821 4.625 -1.858 1.00 0.00 N ATOM 174 CA THR A 11 8.996 3.807 -2.106 1.00 0.00 C ATOM 175 C THR A 11 8.667 2.322 -1.920 1.00 0.00 C ATOM 176 O THR A 11 9.077 1.481 -2.722 1.00 0.00 O ATOM 177 CB THR A 11 10.151 4.219 -1.172 1.00 0.00 C ATOM 178 OG1 THR A 11 10.396 5.628 -1.304 1.00 0.00 O ATOM 179 CG2 THR A 11 11.423 3.449 -1.495 1.00 0.00 C ATOM 0 H THR A 11 7.905 5.244 -1.052 1.00 0.00 H new ATOM 0 HA THR A 11 9.311 3.966 -3.137 1.00 0.00 H new ATOM 0 HB THR A 11 9.861 3.985 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.697 6.127 -0.832 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.219 3.762 -0.819 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.243 2.381 -1.373 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.720 3.652 -2.524 1.00 0.00 H new ATOM 187 N LYS A 12 7.906 2.012 -0.875 1.00 0.00 N ATOM 188 CA LYS A 12 7.460 0.643 -0.619 1.00 0.00 C ATOM 189 C LYS A 12 6.607 0.116 -1.772 1.00 0.00 C ATOM 190 O LYS A 12 6.764 -1.028 -2.193 1.00 0.00 O ATOM 191 CB LYS A 12 6.665 0.572 0.690 1.00 0.00 C ATOM 192 CG LYS A 12 7.513 0.738 1.940 1.00 0.00 C ATOM 193 CD LYS A 12 8.373 -0.490 2.199 1.00 0.00 C ATOM 194 CE LYS A 12 9.175 -0.341 3.480 1.00 0.00 C ATOM 195 NZ LYS A 12 9.884 -1.594 3.843 1.00 0.00 N ATOM 0 H LYS A 12 7.583 2.693 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 12 8.348 0.016 -0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.898 1.346 0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.150 -0.387 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.152 1.615 1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.866 0.918 2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.738 -1.374 2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.050 -0.646 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.900 0.464 3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.509 -0.053 4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.321 -1.486 4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.206 -2.382 3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.622 -1.792 3.138 1.00 0.00 H new ATOM 209 N LEU A 13 5.718 0.961 -2.281 1.00 0.00 N ATOM 210 CA LEU A 13 4.845 0.593 -3.393 1.00 0.00 C ATOM 211 C LEU A 13 5.666 0.229 -4.628 1.00 0.00 C ATOM 212 O LEU A 13 5.331 -0.701 -5.359 1.00 0.00 O ATOM 213 CB LEU A 13 3.893 1.746 -3.722 1.00 0.00 C ATOM 214 CG LEU A 13 2.893 1.469 -4.846 1.00 0.00 C ATOM 215 CD1 LEU A 13 1.928 0.364 -4.448 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.133 2.736 -5.207 1.00 0.00 C ATOM 0 H LEU A 13 5.581 1.912 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 13 4.262 -0.278 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.338 2.005 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.487 2.619 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 13 3.449 1.137 -5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.226 0.184 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.486 -0.549 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.379 0.664 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.426 2.520 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.591 3.097 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.836 3.500 -5.539 1.00 0.00 H new ATOM 228 N LYS A 14 6.754 0.955 -4.837 1.00 0.00 N ATOM 229 CA LYS A 14 7.629 0.729 -5.981 1.00 0.00 C ATOM 230 C LYS A 14 8.427 -0.562 -5.823 1.00 0.00 C ATOM 231 O LYS A 14 9.106 -1.004 -6.751 1.00 0.00 O ATOM 232 CB LYS A 14 8.567 1.921 -6.156 1.00 0.00 C ATOM 233 CG LYS A 14 7.831 3.217 -6.446 1.00 0.00 C ATOM 234 CD LYS A 14 8.744 4.423 -6.317 1.00 0.00 C ATOM 235 CE LYS A 14 7.996 5.708 -6.627 1.00 0.00 C ATOM 236 NZ LYS A 14 8.825 6.910 -6.363 1.00 0.00 N ATOM 0 H LYS A 14 7.055 1.713 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 14 7.010 0.626 -6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.164 2.043 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.261 1.714 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.415 3.182 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.992 3.321 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.150 4.469 -5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.590 4.318 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.685 5.704 -7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.089 5.754 -6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.278 7.765 -6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.101 6.928 -5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.679 6.880 -6.956 1.00 0.00 H new ATOM 250 N ASN A 15 8.339 -1.164 -4.646 1.00 0.00 N ATOM 251 CA ASN A 15 8.986 -2.444 -4.387 1.00 0.00 C ATOM 252 C ASN A 15 8.002 -3.586 -4.596 1.00 0.00 C ATOM 253 O ASN A 15 8.325 -4.754 -4.370 1.00 0.00 O ATOM 254 CB ASN A 15 9.562 -2.486 -2.970 1.00 0.00 C ATOM 255 CG ASN A 15 10.920 -1.822 -2.876 1.00 0.00 C ATOM 256 OD1 ASN A 15 11.950 -2.478 -3.014 1.00 0.00 O ATOM 257 ND2 ASN A 15 10.937 -0.520 -2.657 1.00 0.00 N ATOM 0 H ASN A 15 7.824 -0.785 -3.851 1.00 0.00 H new ATOM 0 HA ASN A 15 9.810 -2.560 -5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.872 -1.992 -2.286 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.645 -3.523 -2.646 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.827 -0.024 -2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.061 -0.010 -2.548 1.00 0.00 H new ATOM 264 N ILE A 16 6.792 -3.237 -5.008 1.00 0.00 N ATOM 265 CA ILE A 16 5.790 -4.222 -5.381 1.00 0.00 C ATOM 266 C ILE A 16 5.804 -4.419 -6.899 1.00 0.00 C ATOM 267 O ILE A 16 5.835 -3.440 -7.649 1.00 0.00 O ATOM 268 CB ILE A 16 4.381 -3.781 -4.918 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.376 -3.553 -3.404 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.333 -4.814 -5.308 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.049 -3.077 -2.856 1.00 0.00 C ATOM 0 H ILE A 16 6.479 -2.270 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 16 6.030 -5.164 -4.888 1.00 0.00 H new ATOM 0 HB ILE A 16 4.129 -2.845 -5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.650 -4.483 -2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.144 -2.820 -3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.351 -4.481 -4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.324 -4.932 -6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.572 -5.769 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.129 -2.939 -1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.781 -2.130 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.280 -3.818 -3.071 1.00 0.00 H new ATOM 283 N PRO A 17 5.821 -5.684 -7.365 1.00 0.00 N ATOM 284 CA PRO A 17 5.828 -6.015 -8.800 1.00 0.00 C ATOM 285 C PRO A 17 4.744 -5.274 -9.580 1.00 0.00 C ATOM 286 O PRO A 17 3.626 -5.122 -9.098 1.00 0.00 O ATOM 287 CB PRO A 17 5.558 -7.521 -8.815 1.00 0.00 C ATOM 288 CG PRO A 17 6.080 -8.010 -7.509 1.00 0.00 C ATOM 289 CD PRO A 17 5.850 -6.896 -6.523 1.00 0.00 C ATOM 0 HA PRO A 17 6.765 -5.727 -9.277 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.494 -7.732 -8.920 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.063 -8.006 -9.650 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.563 -8.918 -7.198 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.140 -8.255 -7.580 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.914 -7.029 -5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.646 -6.848 -5.780 1.00 0.00 H new ATOM 297 N PHE A 18 5.086 -4.844 -10.793 1.00 0.00 N ATOM 298 CA PHE A 18 4.208 -4.007 -11.620 1.00 0.00 C ATOM 299 C PHE A 18 2.791 -4.570 -11.718 1.00 0.00 C ATOM 300 O PHE A 18 1.815 -3.843 -11.527 1.00 0.00 O ATOM 301 CB PHE A 18 4.802 -3.863 -13.027 1.00 0.00 C ATOM 302 CG PHE A 18 3.995 -2.983 -13.942 1.00 0.00 C ATOM 303 CD1 PHE A 18 4.082 -1.601 -13.852 1.00 0.00 C ATOM 304 CD2 PHE A 18 3.149 -3.537 -14.889 1.00 0.00 C ATOM 305 CE1 PHE A 18 3.341 -0.792 -14.693 1.00 0.00 C ATOM 306 CE2 PHE A 18 2.406 -2.732 -15.732 1.00 0.00 C ATOM 307 CZ PHE A 18 2.503 -1.357 -15.634 1.00 0.00 C ATOM 0 H PHE A 18 5.979 -5.064 -11.234 1.00 0.00 H new ATOM 0 HA PHE A 18 4.141 -3.032 -11.137 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.810 -3.458 -12.945 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.892 -4.852 -13.476 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.735 -1.153 -13.118 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.069 -4.611 -14.970 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.417 0.282 -14.614 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.751 -3.177 -16.466 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.925 -0.726 -16.292 1.00 0.00 H new ATOM 317 N PHE A 19 2.691 -5.864 -12.000 1.00 0.00 N ATOM 318 CA PHE A 19 1.403 -6.523 -12.207 1.00 0.00 C ATOM 319 C PHE A 19 0.485 -6.376 -10.995 1.00 0.00 C ATOM 320 O PHE A 19 -0.737 -6.313 -11.131 1.00 0.00 O ATOM 321 CB PHE A 19 1.631 -8.004 -12.526 1.00 0.00 C ATOM 322 CG PHE A 19 0.377 -8.833 -12.566 1.00 0.00 C ATOM 323 CD1 PHE A 19 -0.503 -8.741 -13.631 1.00 0.00 C ATOM 324 CD2 PHE A 19 0.078 -9.706 -11.530 1.00 0.00 C ATOM 325 CE1 PHE A 19 -1.659 -9.502 -13.663 1.00 0.00 C ATOM 326 CE2 PHE A 19 -1.076 -10.470 -11.556 1.00 0.00 C ATOM 327 CZ PHE A 19 -1.944 -10.368 -12.626 1.00 0.00 C ATOM 0 H PHE A 19 3.495 -6.485 -12.092 1.00 0.00 H new ATOM 0 HA PHE A 19 0.907 -6.038 -13.048 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.134 -8.082 -13.490 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.305 -8.424 -11.780 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.285 -8.067 -14.447 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.754 -9.791 -10.692 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.338 -9.418 -14.499 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.297 -11.144 -10.742 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.844 -10.965 -12.651 1.00 0.00 H new ATOM 337 N ALA A 20 1.073 -6.314 -9.811 1.00 0.00 N ATOM 338 CA ALA A 20 0.291 -6.251 -8.591 1.00 0.00 C ATOM 339 C ALA A 20 0.476 -4.922 -7.876 1.00 0.00 C ATOM 340 O ALA A 20 -0.103 -4.706 -6.819 1.00 0.00 O ATOM 341 CB ALA A 20 0.646 -7.406 -7.666 1.00 0.00 C ATOM 0 H ALA A 20 2.083 -6.306 -9.671 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.759 -6.335 -8.869 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.049 -7.341 -6.757 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.440 -8.351 -8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.704 -7.355 -7.409 1.00 0.00 H new ATOM 347 N ARG A 21 1.275 -4.028 -8.448 1.00 0.00 N ATOM 348 CA ARG A 21 1.508 -2.718 -7.845 1.00 0.00 C ATOM 349 C ARG A 21 0.230 -1.890 -7.866 1.00 0.00 C ATOM 350 O ARG A 21 -0.097 -1.212 -6.893 1.00 0.00 O ATOM 351 CB ARG A 21 2.662 -1.983 -8.553 1.00 0.00 C ATOM 352 CG ARG A 21 2.775 -0.512 -8.176 1.00 0.00 C ATOM 353 CD ARG A 21 4.208 0.003 -8.249 1.00 0.00 C ATOM 354 NE ARG A 21 4.847 -0.234 -9.545 1.00 0.00 N ATOM 355 CZ ARG A 21 5.317 0.737 -10.334 1.00 0.00 C ATOM 356 NH1 ARG A 21 5.084 2.011 -10.046 1.00 0.00 N ATOM 357 NH2 ARG A 21 6.007 0.428 -11.422 1.00 0.00 N ATOM 0 H ARG A 21 1.771 -4.184 -9.325 1.00 0.00 H new ATOM 0 HA ARG A 21 1.801 -2.864 -6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.600 -2.483 -8.314 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.524 -2.063 -9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.146 0.079 -8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.392 -0.369 -7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.213 1.073 -8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.799 -0.476 -7.468 1.00 0.00 H new ATOM 0 HE ARG A 21 4.939 -1.198 -9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.542 2.256 -9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.446 2.746 -10.654 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.179 -0.550 -11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.366 1.168 -12.025 1.00 0.00 H new ATOM 371 N SER A 22 -0.506 -1.971 -8.963 1.00 0.00 N ATOM 372 CA SER A 22 -1.775 -1.277 -9.073 1.00 0.00 C ATOM 373 C SER A 22 -2.833 -1.943 -8.197 1.00 0.00 C ATOM 374 O SER A 22 -3.618 -1.265 -7.527 1.00 0.00 O ATOM 375 CB SER A 22 -2.215 -1.248 -10.533 1.00 0.00 C ATOM 376 OG SER A 22 -1.921 -2.479 -11.177 1.00 0.00 O ATOM 0 H SER A 22 -0.245 -2.511 -9.788 1.00 0.00 H new ATOM 0 HA SER A 22 -1.653 -0.253 -8.721 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.285 -1.050 -10.590 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.712 -0.432 -11.052 1.00 0.00 H new ATOM 0 HG SER A 22 -2.214 -2.437 -12.111 1.00 0.00 H new ATOM 382 N GLN A 23 -2.833 -3.274 -8.188 1.00 0.00 N ATOM 383 CA GLN A 23 -3.758 -4.041 -7.362 1.00 0.00 C ATOM 384 C GLN A 23 -3.502 -3.770 -5.879 1.00 0.00 C ATOM 385 O GLN A 23 -4.432 -3.502 -5.117 1.00 0.00 O ATOM 386 CB GLN A 23 -3.624 -5.542 -7.660 1.00 0.00 C ATOM 387 CG GLN A 23 -4.468 -6.427 -6.754 1.00 0.00 C ATOM 388 CD GLN A 23 -5.965 -6.211 -6.919 1.00 0.00 C ATOM 389 OE1 GLN A 23 -6.406 -5.958 -8.141 1.00 0.00 O flip ATOM 390 NE2 GLN A 23 -6.723 -6.312 -5.956 1.00 0.00 N flip ATOM 0 H GLN A 23 -2.199 -3.845 -8.747 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.774 -3.728 -7.601 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.908 -5.724 -8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.577 -5.830 -7.561 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.235 -7.472 -6.960 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.194 -6.238 -5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.346 -6.508 -5.029 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.729 -6.200 -6.085 1.00 0.00 H new ATOM 399 N ALA A 24 -2.236 -3.831 -5.481 1.00 0.00 N ATOM 400 CA ALA A 24 -1.852 -3.583 -4.100 1.00 0.00 C ATOM 401 C ALA A 24 -2.199 -2.164 -3.694 1.00 0.00 C ATOM 402 O ALA A 24 -2.716 -1.942 -2.605 1.00 0.00 O ATOM 403 CB ALA A 24 -0.369 -3.844 -3.897 1.00 0.00 C ATOM 0 H ALA A 24 -1.456 -4.051 -6.100 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.411 -4.270 -3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.105 -3.652 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.145 -4.882 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.208 -3.185 -4.546 1.00 0.00 H new ATOM 409 N LYS A 25 -1.925 -1.206 -4.583 1.00 0.00 N ATOM 410 CA LYS A 25 -2.249 0.194 -4.336 1.00 0.00 C ATOM 411 C LYS A 25 -3.712 0.347 -3.941 1.00 0.00 C ATOM 412 O LYS A 25 -4.035 1.054 -2.987 1.00 0.00 O ATOM 413 CB LYS A 25 -1.956 1.038 -5.579 1.00 0.00 C ATOM 414 CG LYS A 25 -2.399 2.484 -5.446 1.00 0.00 C ATOM 415 CD LYS A 25 -2.078 3.288 -6.693 1.00 0.00 C ATOM 416 CE LYS A 25 -2.487 4.745 -6.538 1.00 0.00 C ATOM 417 NZ LYS A 25 -3.954 4.896 -6.312 1.00 0.00 N ATOM 0 H LYS A 25 -1.478 -1.379 -5.483 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.626 0.545 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.886 1.011 -5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.455 0.591 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.472 2.520 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.908 2.937 -4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.009 3.229 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.593 2.854 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.945 5.186 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.200 5.299 -7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.382 5.384 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.387 3.957 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.117 5.452 -5.449 1.00 0.00 H new ATOM 431 N ALA A 26 -4.584 -0.340 -4.669 1.00 0.00 N ATOM 432 CA ALA A 26 -6.010 -0.304 -4.389 1.00 0.00 C ATOM 433 C ALA A 26 -6.292 -0.818 -2.984 1.00 0.00 C ATOM 434 O ALA A 26 -7.055 -0.214 -2.237 1.00 0.00 O ATOM 435 CB ALA A 26 -6.776 -1.119 -5.424 1.00 0.00 C ATOM 0 H ALA A 26 -4.325 -0.930 -5.460 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.348 0.731 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.842 -1.082 -5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.599 -0.705 -6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.435 -2.154 -5.397 1.00 0.00 H new ATOM 441 N ARG A 27 -5.641 -1.913 -2.616 1.00 0.00 N ATOM 442 CA ARG A 27 -5.838 -2.512 -1.306 1.00 0.00 C ATOM 443 C ARG A 27 -5.279 -1.609 -0.214 1.00 0.00 C ATOM 444 O ARG A 27 -5.885 -1.458 0.838 1.00 0.00 O ATOM 445 CB ARG A 27 -5.178 -3.895 -1.244 1.00 0.00 C ATOM 446 CG ARG A 27 -5.729 -4.875 -2.269 1.00 0.00 C ATOM 447 CD ARG A 27 -7.192 -5.195 -2.006 1.00 0.00 C ATOM 448 NE ARG A 27 -7.370 -6.450 -1.274 1.00 0.00 N ATOM 449 CZ ARG A 27 -8.554 -7.031 -1.074 1.00 0.00 C ATOM 450 NH1 ARG A 27 -9.667 -6.455 -1.517 1.00 0.00 N ATOM 451 NH2 ARG A 27 -8.623 -8.192 -0.438 1.00 0.00 N ATOM 0 H ARG A 27 -4.971 -2.404 -3.208 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.909 -2.630 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.105 -3.784 -1.399 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.315 -4.310 -0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.622 -4.455 -3.269 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.145 -5.795 -2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.642 -4.380 -1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.724 -5.254 -2.956 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.541 -6.907 -0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.618 -5.565 -2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.570 -6.903 -1.362 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.771 -8.641 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.528 -8.637 -0.285 1.00 0.00 H new ATOM 465 N ILE A 28 -4.131 -0.994 -0.482 1.00 0.00 N ATOM 466 CA ILE A 28 -3.485 -0.109 0.484 1.00 0.00 C ATOM 467 C ILE A 28 -4.376 1.082 0.823 1.00 0.00 C ATOM 468 O ILE A 28 -4.575 1.406 1.995 1.00 0.00 O ATOM 469 CB ILE A 28 -2.127 0.401 -0.043 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.184 -0.774 -0.298 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.503 1.381 0.944 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.068 -0.401 -1.055 1.00 0.00 C ATOM 0 H ILE A 28 -3.627 -1.092 -1.363 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.315 -0.694 1.388 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.295 0.924 -0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.901 -1.214 0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.719 -1.542 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.546 1.730 0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.170 2.232 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.346 0.883 1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.685 -1.288 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.204 0.011 -2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.627 0.344 -0.489 1.00 0.00 H new ATOM 484 N GLU A 29 -4.929 1.714 -0.202 1.00 0.00 N ATOM 485 CA GLU A 29 -5.791 2.870 -0.001 1.00 0.00 C ATOM 486 C GLU A 29 -7.093 2.456 0.687 1.00 0.00 C ATOM 487 O GLU A 29 -7.700 3.237 1.420 1.00 0.00 O ATOM 488 CB GLU A 29 -6.066 3.574 -1.334 1.00 0.00 C ATOM 489 CG GLU A 29 -4.793 4.040 -2.029 1.00 0.00 C ATOM 490 CD GLU A 29 -5.047 4.841 -3.290 1.00 0.00 C ATOM 491 OE1 GLU A 29 -6.103 4.651 -3.930 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.178 5.664 -3.658 1.00 0.00 O ATOM 0 H GLU A 29 -4.797 1.447 -1.178 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.279 3.577 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.607 2.895 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.714 4.433 -1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.211 4.646 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.186 3.170 -2.278 1.00 0.00 H new ATOM 499 N GLN A 30 -7.508 1.214 0.470 1.00 0.00 N ATOM 500 CA GLN A 30 -8.676 0.673 1.153 1.00 0.00 C ATOM 501 C GLN A 30 -8.340 0.331 2.598 1.00 0.00 C ATOM 502 O GLN A 30 -9.179 0.464 3.488 1.00 0.00 O ATOM 503 CB GLN A 30 -9.201 -0.561 0.429 1.00 0.00 C ATOM 504 CG GLN A 30 -9.733 -0.255 -0.956 1.00 0.00 C ATOM 505 CD GLN A 30 -10.940 0.659 -0.939 1.00 0.00 C ATOM 506 OE1 GLN A 30 -10.812 1.882 -0.999 1.00 0.00 O ATOM 507 NE2 GLN A 30 -12.121 0.070 -0.866 1.00 0.00 N ATOM 0 H GLN A 30 -7.054 0.564 -0.172 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.455 1.435 1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.401 -1.297 0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.993 -1.015 1.024 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.943 0.207 -1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.999 -1.189 -1.451 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.182 -0.947 -0.818 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.972 0.633 -0.858 1.00 0.00 H new ATOM 516 N LEU A 31 -7.113 -0.118 2.826 1.00 0.00 N ATOM 517 CA LEU A 31 -6.622 -0.363 4.176 1.00 0.00 C ATOM 518 C LEU A 31 -6.557 0.952 4.941 1.00 0.00 C ATOM 519 O LEU A 31 -6.805 0.999 6.144 1.00 0.00 O ATOM 520 CB LEU A 31 -5.241 -1.027 4.140 1.00 0.00 C ATOM 521 CG LEU A 31 -5.212 -2.441 3.555 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.779 -2.931 3.396 1.00 0.00 C ATOM 523 CD2 LEU A 31 -6.009 -3.395 4.430 1.00 0.00 C ATOM 0 H LEU A 31 -6.437 -0.321 2.090 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.309 -1.041 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.568 -0.397 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.847 -1.063 5.155 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.672 -2.412 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.783 -3.938 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.238 -2.263 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.289 -2.944 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.978 -4.396 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.578 -3.417 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.044 -3.057 4.488 1.00 0.00 H new ATOM 535 N ALA A 32 -6.233 2.021 4.226 1.00 0.00 N ATOM 536 CA ALA A 32 -6.234 3.354 4.806 1.00 0.00 C ATOM 537 C ALA A 32 -7.655 3.776 5.157 1.00 0.00 C ATOM 538 O ALA A 32 -7.891 4.395 6.192 1.00 0.00 O ATOM 539 CB ALA A 32 -5.595 4.346 3.850 1.00 0.00 C ATOM 0 H ALA A 32 -5.966 1.989 3.242 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.646 3.339 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.603 5.340 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.566 4.047 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.157 4.365 2.916 1.00 0.00 H new ATOM 545 N ARG A 33 -8.607 3.421 4.301 1.00 0.00 N ATOM 546 CA ARG A 33 -10.010 3.703 4.571 1.00 0.00 C ATOM 547 C ARG A 33 -10.530 2.830 5.709 1.00 0.00 C ATOM 548 O ARG A 33 -11.472 3.202 6.404 1.00 0.00 O ATOM 549 CB ARG A 33 -10.842 3.515 3.301 1.00 0.00 C ATOM 550 CG ARG A 33 -10.561 4.584 2.261 1.00 0.00 C ATOM 551 CD ARG A 33 -10.971 5.955 2.773 1.00 0.00 C ATOM 552 NE ARG A 33 -10.337 7.045 2.031 1.00 0.00 N ATOM 553 CZ ARG A 33 -10.523 8.338 2.312 1.00 0.00 C ATOM 554 NH1 ARG A 33 -11.389 8.696 3.253 1.00 0.00 N ATOM 555 NH2 ARG A 33 -9.854 9.272 1.647 1.00 0.00 N ATOM 0 H ARG A 33 -8.433 2.940 3.419 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.102 4.742 4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.633 2.534 2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.901 3.532 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.500 4.586 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.103 4.356 1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.054 6.055 2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.709 6.038 3.828 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.719 6.805 1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.913 7.984 3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.530 9.683 3.467 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.194 9.004 0.917 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.000 10.257 1.866 1.00 0.00 H new ATOM 569 N GLN A 34 -9.901 1.678 5.907 1.00 0.00 N ATOM 570 CA GLN A 34 -10.232 0.812 7.034 1.00 0.00 C ATOM 571 C GLN A 34 -9.619 1.380 8.315 1.00 0.00 C ATOM 572 O GLN A 34 -10.159 1.214 9.410 1.00 0.00 O ATOM 573 CB GLN A 34 -9.728 -0.613 6.789 1.00 0.00 C ATOM 574 CG GLN A 34 -10.290 -1.631 7.770 1.00 0.00 C ATOM 575 CD GLN A 34 -9.810 -3.047 7.512 1.00 0.00 C ATOM 576 OE1 GLN A 34 -8.567 -3.196 7.079 1.00 0.00 O flip ATOM 577 NE2 GLN A 34 -10.545 -4.007 7.732 1.00 0.00 N flip ATOM 0 H GLN A 34 -9.160 1.321 5.304 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.316 0.773 7.141 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.991 -0.914 5.775 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.640 -0.621 6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.012 -1.340 8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.379 -1.610 7.720 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.497 -3.855 8.065 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.203 -4.956 7.582 1.00 0.00 H new ATOM 586 N ALA A 35 -8.493 2.059 8.155 1.00 0.00 N ATOM 587 CA ALA A 35 -7.829 2.733 9.262 1.00 0.00 C ATOM 588 C ALA A 35 -8.424 4.120 9.468 1.00 0.00 C ATOM 589 O ALA A 35 -8.060 4.831 10.405 1.00 0.00 O ATOM 590 CB ALA A 35 -6.335 2.826 9.002 1.00 0.00 C ATOM 0 H ALA A 35 -8.015 2.158 7.259 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.985 2.152 10.171 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.851 3.332 9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.921 1.823 8.896 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.160 3.390 8.086 1.00 0.00 H new ATOM 596 N GLU A 36 -9.326 4.491 8.556 1.00 0.00 N ATOM 597 CA GLU A 36 -10.068 5.745 8.634 1.00 0.00 C ATOM 598 C GLU A 36 -9.132 6.950 8.554 1.00 0.00 C ATOM 599 O GLU A 36 -9.295 7.932 9.281 1.00 0.00 O ATOM 600 CB GLU A 36 -10.901 5.784 9.916 1.00 0.00 C ATOM 601 CG GLU A 36 -11.900 4.641 10.011 1.00 0.00 C ATOM 602 CD GLU A 36 -12.611 4.595 11.342 1.00 0.00 C ATOM 603 OE1 GLU A 36 -12.021 4.083 12.318 1.00 0.00 O ATOM 604 OE2 GLU A 36 -13.761 5.065 11.424 1.00 0.00 O ATOM 0 H GLU A 36 -9.561 3.925 7.740 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.741 5.798 7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.234 5.749 10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.436 6.732 9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.637 4.741 9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.381 3.696 9.849 1.00 0.00 H new ATOM 611 N GLN A 37 -8.155 6.868 7.658 1.00 0.00 N ATOM 612 CA GLN A 37 -7.224 7.964 7.435 1.00 0.00 C ATOM 613 C GLN A 37 -6.856 8.044 5.957 1.00 0.00 C ATOM 614 O GLN A 37 -6.955 7.052 5.234 1.00 0.00 O ATOM 615 CB GLN A 37 -5.972 7.791 8.303 1.00 0.00 C ATOM 616 CG GLN A 37 -5.164 6.539 7.995 1.00 0.00 C ATOM 617 CD GLN A 37 -4.049 6.307 8.998 1.00 0.00 C ATOM 618 OE1 GLN A 37 -4.172 6.654 10.173 1.00 0.00 O ATOM 619 NE2 GLN A 37 -2.947 5.738 8.538 1.00 0.00 N ATOM 0 H GLN A 37 -7.988 6.049 7.073 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.705 8.899 7.722 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.331 8.663 8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.271 7.767 9.351 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.828 5.674 7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.738 6.622 6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.885 5.465 7.557 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.159 5.572 9.164 1.00 0.00 H new ATOM 628 N ASP A 38 -6.452 9.222 5.511 1.00 0.00 N ATOM 629 CA ASP A 38 -6.122 9.432 4.103 1.00 0.00 C ATOM 630 C ASP A 38 -4.646 9.158 3.863 1.00 0.00 C ATOM 631 O ASP A 38 -4.226 8.840 2.753 1.00 0.00 O ATOM 632 CB ASP A 38 -6.461 10.868 3.689 1.00 0.00 C ATOM 633 CG ASP A 38 -6.257 11.128 2.208 1.00 0.00 C ATOM 634 OD1 ASP A 38 -7.211 10.908 1.430 1.00 0.00 O ATOM 635 OD2 ASP A 38 -5.162 11.579 1.820 1.00 0.00 O ATOM 0 H ASP A 38 -6.343 10.049 6.099 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.712 8.742 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.498 11.079 3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.843 11.560 4.261 1.00 0.00 H new ATOM 640 N ILE A 39 -3.869 9.265 4.923 1.00 0.00 N ATOM 641 CA ILE A 39 -2.433 9.091 4.835 1.00 0.00 C ATOM 642 C ILE A 39 -2.069 7.619 4.967 1.00 0.00 C ATOM 643 O ILE A 39 -2.340 6.995 5.992 1.00 0.00 O ATOM 644 CB ILE A 39 -1.717 9.886 5.944 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.229 11.326 5.972 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.211 9.860 5.728 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.720 12.123 7.150 1.00 0.00 C ATOM 0 H ILE A 39 -4.211 9.473 5.861 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.111 9.462 3.862 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.934 9.420 6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.934 11.826 5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.319 11.316 5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.280 10.426 6.520 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.142 8.829 5.747 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.026 10.307 4.762 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.123 13.135 7.106 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.038 11.646 8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.631 12.164 7.118 1.00 0.00 H new ATOM 659 N VAL A 40 -1.465 7.058 3.930 1.00 0.00 N ATOM 660 CA VAL A 40 -1.031 5.672 3.984 1.00 0.00 C ATOM 661 C VAL A 40 0.417 5.604 4.454 1.00 0.00 C ATOM 662 O VAL A 40 1.249 6.432 4.072 1.00 0.00 O ATOM 663 CB VAL A 40 -1.182 4.944 2.624 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.548 5.213 2.018 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.084 5.338 1.652 1.00 0.00 C ATOM 0 H VAL A 40 -1.266 7.535 3.051 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.680 5.158 4.693 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.089 3.875 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.632 4.692 1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.323 4.856 2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.671 6.284 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.224 4.807 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.125 6.412 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.887 5.078 2.074 1.00 0.00 H new ATOM 675 N THR A 41 0.706 4.645 5.308 1.00 0.00 N ATOM 676 CA THR A 41 2.050 4.459 5.813 1.00 0.00 C ATOM 677 C THR A 41 2.702 3.258 5.143 1.00 0.00 C ATOM 678 O THR A 41 2.011 2.415 4.560 1.00 0.00 O ATOM 679 CB THR A 41 2.035 4.255 7.338 1.00 0.00 C ATOM 680 OG1 THR A 41 1.084 3.236 7.677 1.00 0.00 O ATOM 681 CG2 THR A 41 1.689 5.554 8.052 1.00 0.00 C ATOM 0 H THR A 41 0.024 3.978 5.669 1.00 0.00 H new ATOM 0 HA THR A 41 2.626 5.356 5.585 1.00 0.00 H new ATOM 0 HB THR A 41 3.029 3.944 7.660 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.076 3.106 8.648 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.684 5.387 9.129 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.431 6.313 7.806 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.704 5.893 7.733 1.00 0.00 H new ATOM 689 N PRO A 42 4.040 3.155 5.201 1.00 0.00 N ATOM 690 CA PRO A 42 4.757 1.994 4.676 1.00 0.00 C ATOM 691 C PRO A 42 4.305 0.700 5.350 1.00 0.00 C ATOM 692 O PRO A 42 4.458 -0.384 4.792 1.00 0.00 O ATOM 693 CB PRO A 42 6.228 2.287 4.995 1.00 0.00 C ATOM 694 CG PRO A 42 6.206 3.375 6.013 1.00 0.00 C ATOM 695 CD PRO A 42 4.957 4.164 5.755 1.00 0.00 C ATOM 0 HA PRO A 42 4.574 1.848 3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.730 1.400 5.380 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.769 2.597 4.101 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.205 2.964 7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.090 4.007 5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.564 4.609 6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.132 4.980 5.053 1.00 0.00 H new ATOM 703 N GLU A 43 3.733 0.835 6.547 1.00 0.00 N ATOM 704 CA GLU A 43 3.183 -0.297 7.285 1.00 0.00 C ATOM 705 C GLU A 43 2.088 -0.975 6.469 1.00 0.00 C ATOM 706 O GLU A 43 2.083 -2.195 6.294 1.00 0.00 O ATOM 707 CB GLU A 43 2.596 0.180 8.617 1.00 0.00 C ATOM 708 CG GLU A 43 3.549 1.016 9.453 1.00 0.00 C ATOM 709 CD GLU A 43 4.751 0.232 9.925 1.00 0.00 C ATOM 710 OE1 GLU A 43 4.649 -0.438 10.973 1.00 0.00 O ATOM 711 OE2 GLU A 43 5.804 0.294 9.260 1.00 0.00 O ATOM 0 H GLU A 43 3.639 1.729 7.029 1.00 0.00 H new ATOM 0 HA GLU A 43 3.986 -1.009 7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.698 0.764 8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.288 -0.689 9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.885 1.871 8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.016 1.412 10.318 1.00 0.00 H new ATOM 718 N LEU A 44 1.173 -0.160 5.956 1.00 0.00 N ATOM 719 CA LEU A 44 0.045 -0.649 5.171 1.00 0.00 C ATOM 720 C LEU A 44 0.515 -1.211 3.836 1.00 0.00 C ATOM 721 O LEU A 44 0.025 -2.248 3.386 1.00 0.00 O ATOM 722 CB LEU A 44 -0.973 0.476 4.945 1.00 0.00 C ATOM 723 CG LEU A 44 -2.022 0.655 6.050 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.371 0.846 7.412 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.926 1.831 5.727 1.00 0.00 C ATOM 0 H LEU A 44 1.191 0.853 6.072 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.435 -1.453 5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.430 1.414 4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.491 0.289 4.004 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.621 -0.255 6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.144 0.970 8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.764 -0.028 7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.738 1.733 7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.667 1.949 6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.328 2.739 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.433 1.651 4.779 1.00 0.00 H new ATOM 737 N VAL A 45 1.468 -0.528 3.211 1.00 0.00 N ATOM 738 CA VAL A 45 2.028 -0.990 1.944 1.00 0.00 C ATOM 739 C VAL A 45 2.729 -2.332 2.132 1.00 0.00 C ATOM 740 O VAL A 45 2.574 -3.250 1.320 1.00 0.00 O ATOM 741 CB VAL A 45 3.027 0.026 1.354 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.481 -0.410 -0.034 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.415 1.417 1.309 1.00 0.00 C ATOM 0 H VAL A 45 1.868 0.344 3.558 1.00 0.00 H new ATOM 0 HA VAL A 45 1.198 -1.100 1.246 1.00 0.00 H new ATOM 0 HB VAL A 45 3.902 0.061 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.185 0.320 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.966 -1.384 0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.617 -0.479 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.136 2.118 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.520 1.401 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.149 1.730 2.319 1.00 0.00 H new ATOM 753 N GLU A 46 3.493 -2.440 3.215 1.00 0.00 N ATOM 754 CA GLU A 46 4.165 -3.681 3.567 1.00 0.00 C ATOM 755 C GLU A 46 3.131 -4.789 3.721 1.00 0.00 C ATOM 756 O GLU A 46 3.225 -5.833 3.077 1.00 0.00 O ATOM 757 CB GLU A 46 4.945 -3.510 4.876 1.00 0.00 C ATOM 758 CG GLU A 46 6.015 -4.565 5.105 1.00 0.00 C ATOM 759 CD GLU A 46 7.152 -4.466 4.109 1.00 0.00 C ATOM 760 OE1 GLU A 46 8.056 -3.622 4.306 1.00 0.00 O ATOM 761 OE2 GLU A 46 7.148 -5.232 3.126 1.00 0.00 O ATOM 0 H GLU A 46 3.661 -1.674 3.867 1.00 0.00 H new ATOM 0 HA GLU A 46 4.867 -3.945 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.414 -2.526 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.243 -3.533 5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.412 -4.462 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.564 -5.555 5.039 1.00 0.00 H new ATOM 768 N GLN A 47 2.121 -4.524 4.551 1.00 0.00 N ATOM 769 CA GLN A 47 1.044 -5.475 4.802 1.00 0.00 C ATOM 770 C GLN A 47 0.404 -5.948 3.503 1.00 0.00 C ATOM 771 O GLN A 47 0.198 -7.142 3.313 1.00 0.00 O ATOM 772 CB GLN A 47 -0.021 -4.847 5.704 1.00 0.00 C ATOM 773 CG GLN A 47 -0.093 -5.477 7.086 1.00 0.00 C ATOM 774 CD GLN A 47 -0.538 -6.931 7.049 1.00 0.00 C ATOM 775 OE1 GLN A 47 -1.410 -7.267 6.111 1.00 0.00 O flip ATOM 776 NE2 GLN A 47 -0.117 -7.741 7.875 1.00 0.00 N flip ATOM 0 H GLN A 47 2.029 -3.648 5.065 1.00 0.00 H new ATOM 0 HA GLN A 47 1.478 -6.340 5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.185 -3.782 5.809 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.994 -4.937 5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.886 -5.414 7.561 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.785 -4.906 7.705 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.555 -7.445 8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.440 -8.708 7.851 1.00 0.00 H new ATOM 785 N ALA A 48 0.102 -5.012 2.612 1.00 0.00 N ATOM 786 CA ALA A 48 -0.520 -5.349 1.339 1.00 0.00 C ATOM 787 C ALA A 48 0.372 -6.279 0.522 1.00 0.00 C ATOM 788 O ALA A 48 -0.112 -7.234 -0.087 1.00 0.00 O ATOM 789 CB ALA A 48 -0.843 -4.094 0.548 1.00 0.00 C ATOM 0 H ALA A 48 0.277 -4.016 2.747 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.452 -5.872 1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.307 -4.370 -0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.530 -3.470 1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.075 -3.540 0.354 1.00 0.00 H new ATOM 795 N ARG A 49 1.680 -6.026 0.541 1.00 0.00 N ATOM 796 CA ARG A 49 2.613 -6.845 -0.219 1.00 0.00 C ATOM 797 C ARG A 49 2.787 -8.191 0.469 1.00 0.00 C ATOM 798 O ARG A 49 3.018 -9.210 -0.174 1.00 0.00 O ATOM 799 CB ARG A 49 3.966 -6.139 -0.371 1.00 0.00 C ATOM 800 CG ARG A 49 4.941 -6.883 -1.271 1.00 0.00 C ATOM 801 CD ARG A 49 6.247 -6.127 -1.447 1.00 0.00 C ATOM 802 NE ARG A 49 6.954 -5.936 -0.182 1.00 0.00 N ATOM 803 CZ ARG A 49 8.238 -5.590 -0.088 1.00 0.00 C ATOM 804 NH1 ARG A 49 8.973 -5.422 -1.180 1.00 0.00 N ATOM 805 NH2 ARG A 49 8.789 -5.405 1.099 1.00 0.00 N ATOM 0 H ARG A 49 2.111 -5.268 1.070 1.00 0.00 H new ATOM 0 HA ARG A 49 2.207 -7.003 -1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.802 -5.140 -0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.415 -6.016 0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.146 -7.866 -0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.482 -7.045 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.888 -6.671 -2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.044 -5.155 -1.897 1.00 0.00 H new ATOM 0 HE ARG A 49 6.432 -6.076 0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.556 -5.558 -2.101 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.955 -5.157 -1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.232 -5.527 1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.772 -5.140 1.170 1.00 0.00 H new ATOM 819 N LEU A 50 2.651 -8.175 1.787 1.00 0.00 N ATOM 820 CA LEU A 50 2.730 -9.384 2.588 1.00 0.00 C ATOM 821 C LEU A 50 1.545 -10.292 2.258 1.00 0.00 C ATOM 822 O LEU A 50 1.701 -11.504 2.109 1.00 0.00 O ATOM 823 CB LEU A 50 2.732 -9.020 4.079 1.00 0.00 C ATOM 824 CG LEU A 50 3.576 -9.922 4.990 1.00 0.00 C ATOM 825 CD1 LEU A 50 3.053 -11.351 4.988 1.00 0.00 C ATOM 826 CD2 LEU A 50 5.037 -9.881 4.565 1.00 0.00 C ATOM 0 H LEU A 50 2.484 -7.327 2.328 1.00 0.00 H new ATOM 0 HA LEU A 50 3.654 -9.915 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.090 -7.996 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.703 -9.036 4.438 1.00 0.00 H new ATOM 0 HG LEU A 50 3.499 -9.544 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.671 -11.966 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.023 -11.362 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.089 -11.750 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.624 -10.525 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.127 -10.230 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.408 -8.858 4.635 1.00 0.00 H new ATOM 838 N GLU A 51 0.368 -9.681 2.128 1.00 0.00 N ATOM 839 CA GLU A 51 -0.849 -10.404 1.763 1.00 0.00 C ATOM 840 C GLU A 51 -0.638 -11.192 0.476 1.00 0.00 C ATOM 841 O GLU A 51 -0.791 -12.413 0.452 1.00 0.00 O ATOM 842 CB GLU A 51 -2.020 -9.430 1.581 1.00 0.00 C ATOM 843 CG GLU A 51 -2.385 -8.663 2.841 1.00 0.00 C ATOM 844 CD GLU A 51 -2.837 -9.570 3.963 1.00 0.00 C ATOM 845 OE1 GLU A 51 -4.037 -9.910 4.007 1.00 0.00 O ATOM 846 OE2 GLU A 51 -1.994 -9.957 4.799 1.00 0.00 O ATOM 0 H GLU A 51 0.232 -8.680 2.271 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.084 -11.097 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.769 -8.719 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.893 -9.987 1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.523 -8.084 3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.178 -7.951 2.612 1.00 0.00 H new ATOM 853 N PHE A 52 -0.259 -10.485 -0.583 1.00 0.00 N ATOM 854 CA PHE A 52 -0.054 -11.112 -1.886 1.00 0.00 C ATOM 855 C PHE A 52 1.163 -12.033 -1.860 1.00 0.00 C ATOM 856 O PHE A 52 1.228 -13.009 -2.607 1.00 0.00 O ATOM 857 CB PHE A 52 0.105 -10.054 -2.984 1.00 0.00 C ATOM 858 CG PHE A 52 -1.138 -9.239 -3.216 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.254 -9.806 -3.810 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.197 -7.910 -2.825 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.402 -9.063 -4.014 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.342 -7.162 -3.022 1.00 0.00 C ATOM 863 CZ PHE A 52 -3.448 -7.740 -3.616 1.00 0.00 C ATOM 0 H PHE A 52 -0.088 -9.480 -0.566 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.937 -11.711 -2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.924 -9.386 -2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.386 -10.547 -3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.227 -10.841 -4.117 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.336 -7.453 -2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.262 -9.516 -4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.373 -6.128 -2.712 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.346 -7.160 -3.769 1.00 0.00 H new