USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 488 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 28 MET CE :methyl 145:sc= -0.0897 (180deg=-0.654) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.288 USER MOD Set 2.1: A 17 SER OG : rot -86:sc= 1.19 USER MOD Set 2.2: A 18 LYS NZ :NH3+ -164:sc= -0.0363 (180deg=-0.375) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 41:sc= 0.29 USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= -0.0239 (180deg=-0.352) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0647 (180deg=-0.429) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= -0.031 (180deg=-0.356) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.0439 (180deg=-0.404) USER MOD Single : A 30 SER OG : rot -170:sc= -0.311 USER MOD Single : A 32 THR OG1 : rot 49:sc= 1 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -0.0132 (180deg=-0.405) USER MOD Single : A 40 THR OG1 : rot -86:sc= 1.28 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0341 (180deg=-0.395) USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.327) USER MOD Single : A 56 GLN : amide:sc= -0.108 X(o=-0.11,f=0.038) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.658 1.438 9.718 1.00 0.00 N ATOM 2 CA ALA A 1 0.270 1.419 8.577 1.00 0.00 C ATOM 3 C ALA A 1 -0.346 0.614 7.444 1.00 0.00 C ATOM 4 O ALA A 1 0.175 -0.419 7.026 1.00 0.00 O ATOM 5 CB ALA A 1 1.590 0.790 9.015 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.241 1.988 10.496 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.556 1.875 9.428 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.835 0.464 10.038 1.00 0.00 H new ATOM 0 HA ALA A 1 0.457 2.435 8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.282 0.773 8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.021 1.376 9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.411 -0.229 9.358 1.00 0.00 H new ATOM 13 N THR A 2 -1.469 1.084 6.933 1.00 0.00 N ATOM 14 CA THR A 2 -2.100 0.354 5.837 1.00 0.00 C ATOM 15 C THR A 2 -3.093 1.268 5.137 1.00 0.00 C ATOM 16 O THR A 2 -3.476 2.319 5.649 1.00 0.00 O ATOM 17 CB THR A 2 -2.797 -0.890 6.386 1.00 0.00 C ATOM 18 OG1 THR A 2 -3.376 -1.616 5.312 1.00 0.00 O ATOM 19 CG2 THR A 2 -3.891 -0.514 7.383 1.00 0.00 C ATOM 0 H THR A 2 -1.950 1.930 7.239 1.00 0.00 H new ATOM 0 HA THR A 2 -1.348 0.035 5.116 1.00 0.00 H new ATOM 0 HB THR A 2 -2.055 -1.500 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.762 -1.616 4.548 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.369 -1.419 7.757 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.451 0.034 8.216 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.634 0.112 6.889 1.00 0.00 H new ATOM 27 N VAL A 3 -3.511 0.872 3.948 1.00 0.00 N ATOM 28 CA VAL A 3 -4.453 1.712 3.210 1.00 0.00 C ATOM 29 C VAL A 3 -5.696 0.894 2.897 1.00 0.00 C ATOM 30 O VAL A 3 -5.718 0.075 1.981 1.00 0.00 O ATOM 31 CB VAL A 3 -3.795 2.193 1.918 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.789 2.995 1.083 1.00 0.00 C ATOM 33 CG2 VAL A 3 -2.593 3.076 2.248 1.00 0.00 C ATOM 0 H VAL A 3 -3.230 0.009 3.482 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.734 2.581 3.806 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.469 1.322 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.306 3.331 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.645 2.367 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.128 3.860 1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.127 3.417 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.923 3.938 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.870 2.504 2.829 1.00 0.00 H new ATOM 43 N LYS A 4 -6.751 1.118 3.661 1.00 0.00 N ATOM 44 CA LYS A 4 -7.970 0.349 3.420 1.00 0.00 C ATOM 45 C LYS A 4 -8.532 0.718 2.056 1.00 0.00 C ATOM 46 O LYS A 4 -8.103 1.676 1.416 1.00 0.00 O ATOM 47 CB LYS A 4 -9.004 0.660 4.501 1.00 0.00 C ATOM 48 CG LYS A 4 -9.301 2.156 4.579 1.00 0.00 C ATOM 49 CD LYS A 4 -10.257 2.438 5.738 1.00 0.00 C ATOM 50 CE LYS A 4 -10.535 3.934 5.877 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.164 4.445 4.651 1.00 0.00 N ATOM 0 H LYS A 4 -6.796 1.794 4.423 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.738 -0.716 3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.925 0.116 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.639 0.310 5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.374 2.713 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.741 2.497 3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.194 1.905 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.829 2.058 6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.187 4.113 6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.605 4.469 6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.592 5.373 4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.445 4.542 3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.901 3.782 4.337 1.00 0.00 H new ATOM 65 N PHE A 5 -9.502 -0.049 1.593 1.00 0.00 N ATOM 66 CA PHE A 5 -10.056 0.242 0.273 1.00 0.00 C ATOM 67 C PHE A 5 -11.432 -0.394 0.149 1.00 0.00 C ATOM 68 O PHE A 5 -11.602 -1.463 -0.436 1.00 0.00 O ATOM 69 CB PHE A 5 -9.114 -0.316 -0.792 1.00 0.00 C ATOM 70 CG PHE A 5 -9.675 -0.094 -2.176 1.00 0.00 C ATOM 71 CD1 PHE A 5 -9.919 1.150 -2.610 1.00 0.00 C ATOM 72 CD2 PHE A 5 -9.928 -1.143 -2.971 1.00 0.00 C ATOM 73 CE1 PHE A 5 -10.420 1.345 -3.837 1.00 0.00 C ATOM 74 CE2 PHE A 5 -10.427 -0.948 -4.199 1.00 0.00 C ATOM 75 CZ PHE A 5 -10.673 0.296 -4.631 1.00 0.00 C ATOM 0 H PHE A 5 -9.912 -0.845 2.081 1.00 0.00 H new ATOM 0 HA PHE A 5 -10.156 1.319 0.136 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.139 0.164 -0.709 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.959 -1.382 -0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.712 1.995 -1.971 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -9.730 -2.146 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.620 2.347 -4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -10.631 -1.793 -4.840 1.00 0.00 H new ATOM 0 HZ PHE A 5 -11.076 0.453 -5.621 1.00 0.00 H new ATOM 85 N LYS A 6 -12.437 0.264 0.697 1.00 0.00 N ATOM 86 CA LYS A 6 -13.785 -0.286 0.577 1.00 0.00 C ATOM 87 C LYS A 6 -14.305 -0.014 -0.825 1.00 0.00 C ATOM 88 O LYS A 6 -13.835 0.885 -1.521 1.00 0.00 O ATOM 89 CB LYS A 6 -14.690 0.367 1.619 1.00 0.00 C ATOM 90 CG LYS A 6 -14.706 1.885 1.443 1.00 0.00 C ATOM 91 CD LYS A 6 -15.513 2.571 2.546 1.00 0.00 C ATOM 92 CE LYS A 6 -16.994 2.197 2.496 1.00 0.00 C ATOM 93 NZ LYS A 6 -17.567 2.574 1.195 1.00 0.00 N ATOM 0 H LYS A 6 -12.360 1.143 1.209 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.772 -1.362 0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.703 -0.026 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.341 0.115 2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.684 2.263 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.132 2.135 0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.103 2.296 3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.410 3.652 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.112 1.125 2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.532 2.701 3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.605 2.589 1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.225 3.518 0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.278 1.882 0.475 1.00 0.00 H new ATOM 107 N TYR A 7 -15.282 -0.792 -1.256 1.00 0.00 N ATOM 108 CA TYR A 7 -15.804 -0.582 -2.605 1.00 0.00 C ATOM 109 C TYR A 7 -17.122 0.179 -2.511 1.00 0.00 C ATOM 110 O TYR A 7 -17.133 1.403 -2.395 1.00 0.00 O ATOM 111 CB TYR A 7 -15.941 -1.936 -3.304 1.00 0.00 C ATOM 112 CG TYR A 7 -16.330 -1.795 -4.760 1.00 0.00 C ATOM 113 CD1 TYR A 7 -15.697 -0.927 -5.567 1.00 0.00 C ATOM 114 CD2 TYR A 7 -17.303 -2.572 -5.255 1.00 0.00 C ATOM 115 CE1 TYR A 7 -16.051 -0.827 -6.856 1.00 0.00 C ATOM 116 CE2 TYR A 7 -17.657 -2.472 -6.544 1.00 0.00 C ATOM 117 CZ TYR A 7 -17.032 -1.597 -7.344 1.00 0.00 C ATOM 118 OH TYR A 7 -17.392 -1.496 -8.661 1.00 0.00 O ATOM 0 H TYR A 7 -15.718 -1.545 -0.723 1.00 0.00 H new ATOM 0 HA TYR A 7 -15.124 0.021 -3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -14.997 -2.476 -3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -16.690 -2.535 -2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -14.902 -0.309 -5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -17.804 -3.281 -4.613 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -15.545 -0.125 -7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -18.445 -3.096 -6.938 1.00 0.00 H new ATOM 0 HH TYR A 7 -18.118 -2.126 -8.851 1.00 0.00 H new ATOM 128 N LYS A 8 -18.248 -0.517 -2.542 1.00 0.00 N ATOM 129 CA LYS A 8 -19.514 0.199 -2.376 1.00 0.00 C ATOM 130 C LYS A 8 -20.093 -0.100 -1.000 1.00 0.00 C ATOM 131 O LYS A 8 -20.722 0.747 -0.368 1.00 0.00 O ATOM 132 CB LYS A 8 -20.506 -0.108 -3.507 1.00 0.00 C ATOM 133 CG LYS A 8 -21.261 -1.435 -3.378 1.00 0.00 C ATOM 134 CD LYS A 8 -20.367 -2.652 -3.598 1.00 0.00 C ATOM 135 CE LYS A 8 -21.180 -3.943 -3.528 1.00 0.00 C ATOM 136 NZ LYS A 8 -21.768 -4.097 -2.190 1.00 0.00 N ATOM 0 H LYS A 8 -18.319 -1.526 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.319 1.269 -2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -21.234 0.701 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -19.964 -0.109 -4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.711 -1.496 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -22.077 -1.455 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -19.877 -2.578 -4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -19.580 -2.671 -2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.968 -3.927 -4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.541 -4.797 -3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.098 -5.075 -2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.051 -3.880 -1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -22.571 -3.445 -2.087 1.00 0.00 H new ATOM 150 N GLY A 9 -19.882 -1.312 -0.517 1.00 0.00 N ATOM 151 CA GLY A 9 -20.414 -1.647 0.801 1.00 0.00 C ATOM 152 C GLY A 9 -19.576 -2.745 1.435 1.00 0.00 C ATOM 153 O GLY A 9 -20.072 -3.583 2.186 1.00 0.00 O ATOM 0 H GLY A 9 -19.369 -2.056 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.413 -0.763 1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -21.450 -1.974 0.712 1.00 0.00 H new ATOM 157 N GLU A 10 -18.291 -2.756 1.126 1.00 0.00 N ATOM 158 CA GLU A 10 -17.434 -3.799 1.686 1.00 0.00 C ATOM 159 C GLU A 10 -16.219 -3.146 2.322 1.00 0.00 C ATOM 160 O GLU A 10 -16.097 -1.923 2.378 1.00 0.00 O ATOM 161 CB GLU A 10 -16.987 -4.750 0.578 1.00 0.00 C ATOM 162 CG GLU A 10 -18.179 -5.480 -0.037 1.00 0.00 C ATOM 163 CD GLU A 10 -17.714 -6.444 -1.117 1.00 0.00 C ATOM 164 OE1 GLU A 10 -17.149 -7.505 -0.774 1.00 0.00 O ATOM 165 OE2 GLU A 10 -17.912 -6.146 -2.314 1.00 0.00 O ATOM 0 H GLU A 10 -17.827 -2.084 0.515 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.985 -4.366 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.462 -4.190 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.281 -5.476 0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -18.718 -6.025 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.876 -4.757 -0.462 1.00 0.00 H new ATOM 172 N GLU A 11 -15.306 -3.966 2.805 1.00 0.00 N ATOM 173 CA GLU A 11 -14.109 -3.406 3.425 1.00 0.00 C ATOM 174 C GLU A 11 -12.916 -4.271 3.054 1.00 0.00 C ATOM 175 O GLU A 11 -12.945 -5.495 3.167 1.00 0.00 O ATOM 176 CB GLU A 11 -14.305 -3.378 4.939 1.00 0.00 C ATOM 177 CG GLU A 11 -13.094 -2.763 5.634 1.00 0.00 C ATOM 178 CD GLU A 11 -13.315 -2.699 7.137 1.00 0.00 C ATOM 179 OE1 GLU A 11 -13.941 -1.728 7.613 1.00 0.00 O ATOM 180 OE2 GLU A 11 -12.866 -3.622 7.851 1.00 0.00 O ATOM 0 H GLU A 11 -15.359 -4.984 2.786 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.931 -2.389 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.199 -2.805 5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.465 -4.391 5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.204 -3.354 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.914 -1.761 5.244 1.00 0.00 H new ATOM 187 N LEU A 12 -11.851 -3.633 2.600 1.00 0.00 N ATOM 188 CA LEU A 12 -10.660 -4.402 2.248 1.00 0.00 C ATOM 189 C LEU A 12 -9.459 -3.760 2.922 1.00 0.00 C ATOM 190 O LEU A 12 -9.525 -2.645 3.436 1.00 0.00 O ATOM 191 CB LEU A 12 -10.464 -4.402 0.731 1.00 0.00 C ATOM 192 CG LEU A 12 -11.604 -5.100 -0.013 1.00 0.00 C ATOM 193 CD1 LEU A 12 -11.393 -4.932 -1.515 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.642 -6.591 0.318 1.00 0.00 C ATOM 0 H LEU A 12 -11.780 -2.624 2.468 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.772 -5.434 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.383 -3.373 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.523 -4.896 0.491 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.547 -4.650 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.201 -5.427 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.386 -3.871 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.440 -5.378 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.461 -7.063 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.699 -7.053 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.793 -6.722 1.390 1.00 0.00 H new ATOM 206 N GLN A 13 -8.345 -4.467 2.927 1.00 0.00 N ATOM 207 CA GLN A 13 -7.158 -3.907 3.569 1.00 0.00 C ATOM 208 C GLN A 13 -5.921 -4.495 2.910 1.00 0.00 C ATOM 209 O GLN A 13 -5.804 -5.705 2.720 1.00 0.00 O ATOM 210 CB GLN A 13 -7.191 -4.245 5.058 1.00 0.00 C ATOM 211 CG GLN A 13 -6.002 -3.627 5.786 1.00 0.00 C ATOM 212 CD GLN A 13 -6.066 -3.937 7.273 1.00 0.00 C ATOM 213 OE1 GLN A 13 -6.792 -3.302 8.037 1.00 0.00 O ATOM 214 NE2 GLN A 13 -5.303 -4.926 7.699 1.00 0.00 N ATOM 0 H GLN A 13 -8.231 -5.393 2.514 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.136 -2.823 3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.120 -3.880 5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.180 -5.327 5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.072 -4.013 5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.996 -2.548 5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.712 -5.434 7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.305 -5.183 8.686 1.00 0.00 H new ATOM 223 N VAL A 14 -4.985 -3.635 2.553 1.00 0.00 N ATOM 224 CA VAL A 14 -3.775 -4.137 1.906 1.00 0.00 C ATOM 225 C VAL A 14 -2.572 -3.380 2.451 1.00 0.00 C ATOM 226 O VAL A 14 -2.566 -2.154 2.558 1.00 0.00 O ATOM 227 CB VAL A 14 -3.906 -3.975 0.390 1.00 0.00 C ATOM 228 CG1 VAL A 14 -4.109 -2.512 0.005 1.00 0.00 C ATOM 229 CG2 VAL A 14 -2.659 -4.514 -0.305 1.00 0.00 C ATOM 0 H VAL A 14 -5.028 -2.625 2.690 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.637 -5.197 2.119 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.780 -4.542 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.199 -2.430 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.018 -2.135 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.256 -1.925 0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.763 -4.394 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.784 -3.963 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.538 -5.571 -0.068 1.00 0.00 H new ATOM 239 N ASP A 15 -1.538 -4.117 2.813 1.00 0.00 N ATOM 240 CA ASP A 15 -0.343 -3.453 3.328 1.00 0.00 C ATOM 241 C ASP A 15 0.545 -3.086 2.147 1.00 0.00 C ATOM 242 O ASP A 15 0.425 -3.643 1.058 1.00 0.00 O ATOM 243 CB ASP A 15 0.365 -4.405 4.289 1.00 0.00 C ATOM 244 CG ASP A 15 1.505 -3.715 5.022 1.00 0.00 C ATOM 245 OD1 ASP A 15 1.249 -3.077 6.066 1.00 0.00 O ATOM 246 OD2 ASP A 15 2.662 -3.805 4.557 1.00 0.00 O ATOM 0 H ASP A 15 -1.493 -5.135 2.766 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.592 -2.541 3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.352 -4.792 5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.752 -5.260 3.735 1.00 0.00 H new ATOM 251 N ILE A 16 1.442 -2.136 2.343 1.00 0.00 N ATOM 252 CA ILE A 16 2.275 -1.700 1.224 1.00 0.00 C ATOM 253 C ILE A 16 3.244 -2.817 0.854 1.00 0.00 C ATOM 254 O ILE A 16 3.662 -2.952 -0.295 1.00 0.00 O ATOM 255 CB ILE A 16 3.047 -0.425 1.587 1.00 0.00 C ATOM 256 CG1 ILE A 16 2.124 0.786 1.751 1.00 0.00 C ATOM 257 CG2 ILE A 16 4.035 -0.095 0.469 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.467 0.855 3.129 1.00 0.00 C ATOM 0 H ILE A 16 1.613 -1.663 3.230 1.00 0.00 H new ATOM 0 HA ILE A 16 1.636 -1.475 0.370 1.00 0.00 H new ATOM 0 HB ILE A 16 3.552 -0.618 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.697 1.698 1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.348 0.751 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.585 0.811 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.735 -0.922 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.491 0.062 -0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.826 1.735 3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.868 -0.041 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.238 0.921 3.897 1.00 0.00 H new ATOM 270 N SER A 17 3.616 -3.634 1.823 1.00 0.00 N ATOM 271 CA SER A 17 4.588 -4.685 1.525 1.00 0.00 C ATOM 272 C SER A 17 3.910 -5.877 0.863 1.00 0.00 C ATOM 273 O SER A 17 4.561 -6.837 0.455 1.00 0.00 O ATOM 274 CB SER A 17 5.259 -5.126 2.823 1.00 0.00 C ATOM 275 OG SER A 17 4.287 -5.665 3.705 1.00 0.00 O ATOM 0 H SER A 17 3.281 -3.601 2.786 1.00 0.00 H new ATOM 0 HA SER A 17 5.335 -4.292 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.026 -5.871 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.759 -4.278 3.292 1.00 0.00 H new ATOM 0 HG SER A 17 3.883 -4.941 4.228 1.00 0.00 H new ATOM 281 N LYS A 18 2.594 -5.830 0.746 1.00 0.00 N ATOM 282 CA LYS A 18 1.900 -6.940 0.092 1.00 0.00 C ATOM 283 C LYS A 18 1.602 -6.570 -1.353 1.00 0.00 C ATOM 284 O LYS A 18 0.823 -7.234 -2.036 1.00 0.00 O ATOM 285 CB LYS A 18 0.586 -7.222 0.821 1.00 0.00 C ATOM 286 CG LYS A 18 0.803 -7.715 2.254 1.00 0.00 C ATOM 287 CD LYS A 18 1.364 -9.136 2.276 1.00 0.00 C ATOM 288 CE LYS A 18 1.519 -9.633 3.711 1.00 0.00 C ATOM 289 NZ LYS A 18 2.478 -8.789 4.438 1.00 0.00 N ATOM 0 H LYS A 18 1.999 -5.071 1.078 1.00 0.00 H new ATOM 0 HA LYS A 18 2.531 -7.828 0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.017 -6.314 0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.019 -7.969 0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.488 -7.044 2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.142 -7.687 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.701 -9.803 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.330 -9.159 1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.553 -9.617 4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.861 -10.668 3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.783 -9.277 5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.305 -8.605 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.026 -7.887 4.690 1.00 0.00 H new ATOM 303 N ILE A 19 2.214 -5.501 -1.832 1.00 0.00 N ATOM 304 CA ILE A 19 1.944 -5.085 -3.207 1.00 0.00 C ATOM 305 C ILE A 19 3.256 -5.110 -3.981 1.00 0.00 C ATOM 306 O ILE A 19 4.297 -4.680 -3.488 1.00 0.00 O ATOM 307 CB ILE A 19 1.348 -3.677 -3.205 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.168 -3.603 -2.232 1.00 0.00 C ATOM 309 CG2 ILE A 19 0.887 -3.333 -4.620 1.00 0.00 C ATOM 310 CD1 ILE A 19 -0.472 -2.215 -2.191 1.00 0.00 C ATOM 0 H ILE A 19 2.877 -4.921 -1.317 1.00 0.00 H new ATOM 0 HA ILE A 19 1.230 -5.760 -3.679 1.00 0.00 H new ATOM 0 HB ILE A 19 2.103 -2.961 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.584 -4.338 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.508 -3.872 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.460 -2.330 -4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.738 -3.372 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.133 -4.051 -4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.303 -2.218 -1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.270 -1.482 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.839 -1.954 -3.184 1.00 0.00 H new ATOM 322 N LYS A 20 3.223 -5.622 -5.200 1.00 0.00 N ATOM 323 CA LYS A 20 4.464 -5.699 -5.969 1.00 0.00 C ATOM 324 C LYS A 20 4.289 -4.993 -7.306 1.00 0.00 C ATOM 325 O LYS A 20 5.154 -4.246 -7.761 1.00 0.00 O ATOM 326 CB LYS A 20 4.813 -7.170 -6.191 1.00 0.00 C ATOM 327 CG LYS A 20 6.138 -7.307 -6.938 1.00 0.00 C ATOM 328 CD LYS A 20 6.557 -8.771 -7.072 1.00 0.00 C ATOM 329 CE LYS A 20 5.601 -9.551 -7.973 1.00 0.00 C ATOM 330 NZ LYS A 20 6.084 -10.930 -8.129 1.00 0.00 N ATOM 0 H LYS A 20 2.390 -5.979 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 20 5.271 -5.210 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.877 -7.682 -5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.019 -7.655 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.046 -6.862 -7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.914 -6.752 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.567 -8.825 -7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.586 -9.233 -6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.600 -9.552 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.528 -9.068 -8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.432 -11.459 -8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.031 -10.920 -8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.131 -11.389 -7.197 1.00 0.00 H new ATOM 344 N LYS A 21 3.164 -5.239 -7.952 1.00 0.00 N ATOM 345 CA LYS A 21 2.940 -4.629 -9.262 1.00 0.00 C ATOM 346 C LYS A 21 1.490 -4.148 -9.283 1.00 0.00 C ATOM 347 O LYS A 21 0.604 -4.993 -9.164 1.00 0.00 O ATOM 348 CB LYS A 21 3.146 -5.715 -10.317 1.00 0.00 C ATOM 349 CG LYS A 21 3.877 -5.159 -11.537 1.00 0.00 C ATOM 350 CD LYS A 21 4.078 -6.254 -12.581 1.00 0.00 C ATOM 351 CE LYS A 21 4.821 -5.702 -13.795 1.00 0.00 C ATOM 352 NZ LYS A 21 5.021 -6.771 -14.783 1.00 0.00 N ATOM 0 H LYS A 21 2.410 -5.836 -7.611 1.00 0.00 H new ATOM 0 HA LYS A 21 3.616 -3.797 -9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.718 -6.539 -9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.181 -6.121 -10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.305 -4.337 -11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.843 -4.753 -11.236 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.641 -7.080 -12.147 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.112 -6.654 -12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.254 -4.884 -14.240 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.784 -5.292 -13.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.527 -6.391 -15.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.580 -7.538 -14.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.098 -7.142 -15.084 1.00 0.00 H new ATOM 366 N VAL A 22 1.124 -2.871 -9.395 1.00 0.00 N ATOM 367 CA VAL A 22 2.051 -1.744 -9.580 1.00 0.00 C ATOM 368 C VAL A 22 2.727 -1.769 -10.943 1.00 0.00 C ATOM 369 O VAL A 22 3.874 -2.178 -11.121 1.00 0.00 O ATOM 370 CB VAL A 22 3.016 -1.515 -8.411 1.00 0.00 C ATOM 371 CG1 VAL A 22 3.927 -0.319 -8.680 1.00 0.00 C ATOM 372 CG2 VAL A 22 2.222 -1.238 -7.138 1.00 0.00 C ATOM 0 H VAL A 22 0.147 -2.579 -9.359 1.00 0.00 H new ATOM 0 HA VAL A 22 1.426 -0.851 -9.570 1.00 0.00 H new ATOM 0 HB VAL A 22 3.625 -2.412 -8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.602 -0.178 -7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.509 -0.501 -9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.321 0.577 -8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.910 -1.076 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.607 -0.349 -7.279 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.581 -2.091 -6.916 1.00 0.00 H new ATOM 382 N TRP A 23 1.990 -1.251 -11.909 1.00 0.00 N ATOM 383 CA TRP A 23 2.586 -0.977 -13.213 1.00 0.00 C ATOM 384 C TRP A 23 1.632 -0.049 -13.948 1.00 0.00 C ATOM 385 O TRP A 23 0.424 -0.278 -13.993 1.00 0.00 O ATOM 386 CB TRP A 23 2.806 -2.263 -14.010 1.00 0.00 C ATOM 387 CG TRP A 23 1.511 -2.844 -14.534 1.00 0.00 C ATOM 388 CD1 TRP A 23 1.015 -2.700 -15.832 1.00 0.00 C ATOM 389 CD2 TRP A 23 0.620 -3.655 -13.880 1.00 0.00 C ATOM 390 NE1 TRP A 23 -0.178 -3.417 -15.981 1.00 0.00 N ATOM 391 CE2 TRP A 23 -0.370 -3.996 -14.735 1.00 0.00 C ATOM 392 CE3 TRP A 23 0.649 -4.101 -12.628 1.00 0.00 C ATOM 393 CZ2 TRP A 23 -1.355 -4.806 -14.355 1.00 0.00 C ATOM 394 CZ3 TRP A 23 -0.345 -4.918 -12.238 1.00 0.00 C ATOM 395 CH2 TRP A 23 -1.330 -5.270 -13.091 1.00 0.00 C ATOM 0 H TRP A 23 1.001 -1.015 -11.825 1.00 0.00 H new ATOM 0 HA TRP A 23 3.567 -0.517 -13.091 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.475 -2.059 -14.846 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.302 -2.999 -13.377 1.00 0.00 H new ATOM 0 HD1 TRP A 23 1.485 -2.118 -16.611 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -0.767 -3.495 -16.810 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.441 -3.818 -11.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.146 -5.082 -15.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.355 -5.298 -11.227 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -2.111 -5.935 -12.754 1.00 0.00 H new ATOM 406 N ARG A 24 2.150 1.030 -14.509 1.00 0.00 N ATOM 407 CA ARG A 24 1.252 1.966 -15.182 1.00 0.00 C ATOM 408 C ARG A 24 1.950 2.634 -16.351 1.00 0.00 C ATOM 409 O ARG A 24 3.138 2.451 -16.609 1.00 0.00 O ATOM 410 CB ARG A 24 0.789 3.050 -14.211 1.00 0.00 C ATOM 411 CG ARG A 24 -0.382 2.612 -13.333 1.00 0.00 C ATOM 412 CD ARG A 24 -1.704 2.523 -14.105 1.00 0.00 C ATOM 413 NE ARG A 24 -1.802 1.285 -14.876 1.00 0.00 N ATOM 414 CZ ARG A 24 -2.867 1.084 -15.631 1.00 0.00 C ATOM 415 NH1 ARG A 24 -3.826 1.991 -15.684 1.00 0.00 N ATOM 416 NH2 ARG A 24 -2.974 -0.029 -16.333 1.00 0.00 N ATOM 0 H ARG A 24 3.139 1.278 -14.517 1.00 0.00 H new ATOM 0 HA ARG A 24 0.394 1.399 -15.544 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.625 3.338 -13.573 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.499 3.936 -14.777 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.157 1.640 -12.894 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.495 3.316 -12.508 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.538 2.582 -13.405 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.790 3.377 -14.777 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.059 0.587 -14.832 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.746 2.850 -15.141 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.647 1.832 -16.268 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.235 -0.731 -16.291 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.795 -0.187 -16.917 1.00 0.00 H new ATOM 430 N VAL A 25 1.180 3.436 -17.061 1.00 0.00 N ATOM 431 CA VAL A 25 1.755 4.183 -18.174 1.00 0.00 C ATOM 432 C VAL A 25 0.776 5.295 -18.525 1.00 0.00 C ATOM 433 O VAL A 25 0.725 5.804 -19.643 1.00 0.00 O ATOM 434 CB VAL A 25 2.003 3.227 -19.343 1.00 0.00 C ATOM 435 CG1 VAL A 25 0.680 2.730 -19.924 1.00 0.00 C ATOM 436 CG2 VAL A 25 2.824 3.908 -20.436 1.00 0.00 C ATOM 0 H VAL A 25 0.185 3.588 -16.899 1.00 0.00 H new ATOM 0 HA VAL A 25 2.716 4.630 -17.920 1.00 0.00 H new ATOM 0 HB VAL A 25 2.564 2.374 -18.963 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.879 2.052 -20.754 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.118 2.204 -19.152 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.098 3.579 -20.281 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.988 3.209 -21.257 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.286 4.781 -20.805 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.785 4.220 -20.028 1.00 0.00 H new ATOM 446 N GLY A 26 -0.029 5.678 -17.551 1.00 0.00 N ATOM 447 CA GLY A 26 -1.019 6.713 -17.830 1.00 0.00 C ATOM 448 C GLY A 26 -1.797 7.091 -16.581 1.00 0.00 C ATOM 449 O GLY A 26 -1.270 7.684 -15.642 1.00 0.00 O ATOM 0 H GLY A 26 -0.025 5.311 -16.599 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.521 7.596 -18.231 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.709 6.361 -18.597 1.00 0.00 H new ATOM 453 N LYS A 27 -3.082 6.786 -16.591 1.00 0.00 N ATOM 454 CA LYS A 27 -3.935 7.300 -15.526 1.00 0.00 C ATOM 455 C LYS A 27 -4.087 6.282 -14.408 1.00 0.00 C ATOM 456 O LYS A 27 -4.112 5.070 -14.623 1.00 0.00 O ATOM 457 CB LYS A 27 -5.305 7.629 -16.109 1.00 0.00 C ATOM 458 CG LYS A 27 -6.212 8.198 -15.019 1.00 0.00 C ATOM 459 CD LYS A 27 -7.628 8.450 -15.538 1.00 0.00 C ATOM 460 CE LYS A 27 -7.663 9.517 -16.631 1.00 0.00 C ATOM 461 NZ LYS A 27 -7.105 10.780 -16.126 1.00 0.00 N ATOM 0 H LYS A 27 -3.547 6.209 -17.292 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.476 8.196 -15.107 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.201 8.350 -16.920 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.753 6.732 -16.535 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.250 7.505 -14.179 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.790 9.131 -14.644 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.041 7.520 -15.928 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.266 8.760 -14.710 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.093 9.180 -17.497 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.689 9.672 -16.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.374 11.557 -16.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.477 10.968 -15.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.068 10.710 -16.085 1.00 0.00 H new ATOM 475 N MET A 28 -4.221 6.806 -13.203 1.00 0.00 N ATOM 476 CA MET A 28 -4.529 5.951 -12.054 1.00 0.00 C ATOM 477 C MET A 28 -3.416 4.941 -11.819 1.00 0.00 C ATOM 478 O MET A 28 -2.391 4.936 -12.498 1.00 0.00 O ATOM 479 CB MET A 28 -5.865 5.236 -12.265 1.00 0.00 C ATOM 480 CG MET A 28 -6.997 6.225 -12.538 1.00 0.00 C ATOM 481 SD MET A 28 -8.530 5.329 -12.849 1.00 0.00 S ATOM 482 CE MET A 28 -8.837 4.648 -11.211 1.00 0.00 C ATOM 0 H MET A 28 -4.125 7.799 -12.989 1.00 0.00 H new ATOM 0 HA MET A 28 -4.608 6.582 -11.169 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.778 4.542 -13.101 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.104 4.643 -11.382 1.00 0.00 H new ATOM 0 HG2 MET A 28 -7.122 6.893 -11.686 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.749 6.848 -13.397 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.910 4.623 -11.023 1.00 0.00 H new ATOM 0 HE2 MET A 28 -8.436 3.636 -11.157 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.351 5.272 -10.461 1.00 0.00 H new ATOM 492 N ILE A 29 -3.615 4.078 -10.835 1.00 0.00 N ATOM 493 CA ILE A 29 -2.601 3.062 -10.563 1.00 0.00 C ATOM 494 C ILE A 29 -3.280 1.702 -10.533 1.00 0.00 C ATOM 495 O ILE A 29 -4.174 1.447 -9.725 1.00 0.00 O ATOM 496 CB ILE A 29 -1.897 3.313 -9.224 1.00 0.00 C ATOM 497 CG1 ILE A 29 -1.030 4.573 -9.256 1.00 0.00 C ATOM 498 CG2 ILE A 29 -0.980 2.132 -8.914 1.00 0.00 C ATOM 499 CD1 ILE A 29 -1.805 5.829 -8.867 1.00 0.00 C ATOM 0 H ILE A 29 -4.436 4.055 -10.230 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.845 3.101 -11.347 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.672 3.437 -8.468 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.186 4.446 -8.577 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.618 4.700 -10.257 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.475 2.303 -7.963 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.572 1.219 -8.852 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.237 2.030 -9.705 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.141 6.693 -8.907 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.633 5.975 -9.561 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.195 5.717 -7.855 1.00 0.00 H new ATOM 511 N SER A 30 -2.845 0.805 -11.400 1.00 0.00 N ATOM 512 CA SER A 30 -3.394 -0.548 -11.345 1.00 0.00 C ATOM 513 C SER A 30 -2.480 -1.399 -10.479 1.00 0.00 C ATOM 514 O SER A 30 -1.258 -1.262 -10.504 1.00 0.00 O ATOM 515 CB SER A 30 -3.473 -1.120 -12.757 1.00 0.00 C ATOM 516 OG SER A 30 -4.358 -0.333 -13.541 1.00 0.00 O ATOM 0 H SER A 30 -2.145 0.971 -12.123 1.00 0.00 H new ATOM 0 HA SER A 30 -4.397 -0.538 -10.919 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.482 -1.133 -13.211 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.821 -2.152 -12.723 1.00 0.00 H new ATOM 0 HG SER A 30 -4.531 -0.786 -14.393 1.00 0.00 H new ATOM 522 N PHE A 31 -3.062 -2.286 -9.694 1.00 0.00 N ATOM 523 CA PHE A 31 -2.217 -3.120 -8.844 1.00 0.00 C ATOM 524 C PHE A 31 -2.960 -4.385 -8.450 1.00 0.00 C ATOM 525 O PHE A 31 -4.181 -4.408 -8.316 1.00 0.00 O ATOM 526 CB PHE A 31 -1.776 -2.335 -7.607 1.00 0.00 C ATOM 527 CG PHE A 31 -2.945 -1.939 -6.730 1.00 0.00 C ATOM 528 CD1 PHE A 31 -3.593 -0.786 -6.949 1.00 0.00 C ATOM 529 CD2 PHE A 31 -3.312 -2.725 -5.707 1.00 0.00 C ATOM 530 CE1 PHE A 31 -4.612 -0.427 -6.156 1.00 0.00 C ATOM 531 CE2 PHE A 31 -4.333 -2.367 -4.917 1.00 0.00 C ATOM 532 CZ PHE A 31 -4.985 -1.218 -5.142 1.00 0.00 C ATOM 0 H PHE A 31 -4.066 -2.448 -9.623 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.325 -3.408 -9.400 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.078 -2.938 -7.027 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.240 -1.439 -7.920 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.293 -0.146 -7.765 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.784 -3.648 -5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.133 0.502 -6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.631 -3.005 -4.098 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.810 -0.931 -4.507 1.00 0.00 H new ATOM 542 N THR A 32 -2.206 -5.454 -8.267 1.00 0.00 N ATOM 543 CA THR A 32 -2.840 -6.718 -7.898 1.00 0.00 C ATOM 544 C THR A 32 -2.179 -7.261 -6.642 1.00 0.00 C ATOM 545 O THR A 32 -1.149 -7.930 -6.687 1.00 0.00 O ATOM 546 CB THR A 32 -2.682 -7.721 -9.039 1.00 0.00 C ATOM 547 OG1 THR A 32 -1.302 -7.896 -9.321 1.00 0.00 O ATOM 548 CG2 THR A 32 -3.393 -7.226 -10.296 1.00 0.00 C ATOM 0 H THR A 32 -1.191 -5.481 -8.362 1.00 0.00 H new ATOM 0 HA THR A 32 -3.901 -6.555 -7.709 1.00 0.00 H new ATOM 0 HB THR A 32 -3.127 -8.668 -8.735 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.816 -8.058 -8.486 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.268 -7.956 -11.096 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.455 -7.096 -10.086 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.965 -6.272 -10.604 1.00 0.00 H new ATOM 556 N TYR A 33 -2.778 -6.982 -5.499 1.00 0.00 N ATOM 557 CA TYR A 33 -2.213 -7.514 -4.262 1.00 0.00 C ATOM 558 C TYR A 33 -2.502 -9.006 -4.198 1.00 0.00 C ATOM 559 O TYR A 33 -3.255 -9.548 -5.004 1.00 0.00 O ATOM 560 CB TYR A 33 -2.818 -6.789 -3.060 1.00 0.00 C ATOM 561 CG TYR A 33 -4.306 -7.037 -2.943 1.00 0.00 C ATOM 562 CD1 TYR A 33 -5.173 -6.308 -3.659 1.00 0.00 C ATOM 563 CD2 TYR A 33 -4.761 -7.976 -2.101 1.00 0.00 C ATOM 564 CE1 TYR A 33 -6.490 -6.527 -3.545 1.00 0.00 C ATOM 565 CE2 TYR A 33 -6.078 -8.194 -1.986 1.00 0.00 C ATOM 566 CZ TYR A 33 -6.942 -7.470 -2.708 1.00 0.00 C ATOM 567 OH TYR A 33 -8.290 -7.695 -2.592 1.00 0.00 O ATOM 0 H TYR A 33 -3.620 -6.415 -5.395 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.135 -7.356 -4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.322 -7.121 -2.148 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.634 -5.718 -3.151 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.810 -5.543 -4.329 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.065 -8.557 -1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.187 -5.943 -4.128 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.443 -8.954 -1.311 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.447 -8.413 -1.944 1.00 0.00 H new ATOM 577 N ASP A 34 -1.895 -9.688 -3.242 1.00 0.00 N ATOM 578 CA ASP A 34 -2.113 -11.132 -3.162 1.00 0.00 C ATOM 579 C ASP A 34 -2.318 -11.537 -1.711 1.00 0.00 C ATOM 580 O ASP A 34 -1.465 -11.315 -0.851 1.00 0.00 O ATOM 581 CB ASP A 34 -0.897 -11.861 -3.726 1.00 0.00 C ATOM 582 CG ASP A 34 -0.675 -11.515 -5.191 1.00 0.00 C ATOM 583 OD1 ASP A 34 -0.177 -10.405 -5.478 1.00 0.00 O ATOM 584 OD2 ASP A 34 -0.996 -12.352 -6.062 1.00 0.00 O ATOM 0 H ASP A 34 -1.273 -9.293 -2.537 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.998 -11.397 -3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.011 -11.595 -3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.035 -12.937 -3.621 1.00 0.00 H new ATOM 589 N GLU A 35 -3.446 -12.161 -1.428 1.00 0.00 N ATOM 590 CA GLU A 35 -3.635 -12.688 -0.078 1.00 0.00 C ATOM 591 C GLU A 35 -4.715 -13.766 -0.090 1.00 0.00 C ATOM 592 O GLU A 35 -5.851 -13.533 0.317 1.00 0.00 O ATOM 593 CB GLU A 35 -3.983 -11.550 0.881 1.00 0.00 C ATOM 594 CG GLU A 35 -5.171 -10.722 0.395 1.00 0.00 C ATOM 595 CD GLU A 35 -5.470 -9.597 1.372 1.00 0.00 C ATOM 596 OE1 GLU A 35 -5.061 -8.446 1.227 1.00 0.00 O ATOM 597 OE2 GLU A 35 -6.243 -10.021 2.421 1.00 0.00 O ATOM 0 H GLU A 35 -4.217 -12.314 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.709 -13.146 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.209 -11.963 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.116 -10.901 1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.955 -10.308 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.048 -11.361 0.287 1.00 0.00 H new ATOM 605 N GLY A 36 -4.405 -14.974 -0.540 1.00 0.00 N ATOM 606 CA GLY A 36 -3.051 -15.281 -1.002 1.00 0.00 C ATOM 607 C GLY A 36 -2.993 -16.714 -1.504 1.00 0.00 C ATOM 608 O GLY A 36 -3.309 -17.663 -0.789 1.00 0.00 O ATOM 0 H GLY A 36 -5.062 -15.752 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.764 -14.595 -1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.339 -15.141 -0.189 1.00 0.00 H new ATOM 612 N GLY A 37 -2.581 -16.881 -2.748 1.00 0.00 N ATOM 613 CA GLY A 37 -2.479 -18.236 -3.284 1.00 0.00 C ATOM 614 C GLY A 37 -3.711 -18.572 -4.108 1.00 0.00 C ATOM 615 O GLY A 37 -4.512 -19.433 -3.750 1.00 0.00 O ATOM 0 H GLY A 37 -2.320 -16.131 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.585 -18.324 -3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.373 -18.950 -2.467 1.00 0.00 H new ATOM 619 N GLY A 38 -3.864 -17.898 -5.235 1.00 0.00 N ATOM 620 CA GLY A 38 -4.997 -18.213 -6.101 1.00 0.00 C ATOM 621 C GLY A 38 -6.041 -17.110 -6.038 1.00 0.00 C ATOM 622 O GLY A 38 -6.885 -16.971 -6.923 1.00 0.00 O ATOM 0 H GLY A 38 -3.247 -17.157 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.653 -18.338 -7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.442 -19.160 -5.797 1.00 0.00 H new ATOM 626 N LYS A 39 -6.000 -16.311 -4.988 1.00 0.00 N ATOM 627 CA LYS A 39 -6.995 -15.247 -4.880 1.00 0.00 C ATOM 628 C LYS A 39 -6.551 -14.059 -5.720 1.00 0.00 C ATOM 629 O LYS A 39 -6.992 -13.877 -6.854 1.00 0.00 O ATOM 630 CB LYS A 39 -7.143 -14.839 -3.417 1.00 0.00 C ATOM 631 CG LYS A 39 -8.234 -13.781 -3.273 1.00 0.00 C ATOM 632 CD LYS A 39 -8.392 -13.379 -1.809 1.00 0.00 C ATOM 633 CE LYS A 39 -9.485 -12.325 -1.648 1.00 0.00 C ATOM 634 NZ LYS A 39 -10.782 -12.873 -2.070 1.00 0.00 N ATOM 0 H LYS A 39 -5.324 -16.367 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.959 -15.599 -5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.390 -15.711 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.196 -14.449 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.983 -12.906 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.179 -14.169 -3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.637 -14.257 -1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.447 -12.989 -1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.539 -12.002 -0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.242 -11.445 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.548 -12.276 -1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.830 -12.891 -3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.887 -13.840 -1.702 1.00 0.00 H new ATOM 648 N THR A 40 -5.666 -13.251 -5.158 1.00 0.00 N ATOM 649 CA THR A 40 -5.146 -12.108 -5.908 1.00 0.00 C ATOM 650 C THR A 40 -6.285 -11.209 -6.366 1.00 0.00 C ATOM 651 O THR A 40 -6.857 -11.384 -7.441 1.00 0.00 O ATOM 652 CB THR A 40 -4.330 -12.607 -7.100 1.00 0.00 C ATOM 653 OG1 THR A 40 -3.306 -13.470 -6.630 1.00 0.00 O ATOM 654 CG2 THR A 40 -3.693 -11.434 -7.840 1.00 0.00 C ATOM 0 H THR A 40 -5.298 -13.356 -4.212 1.00 0.00 H new ATOM 0 HA THR A 40 -4.496 -11.519 -5.261 1.00 0.00 H new ATOM 0 HB THR A 40 -4.991 -13.139 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.522 -12.940 -6.377 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.116 -11.808 -8.686 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.474 -10.764 -8.201 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.034 -10.891 -7.162 1.00 0.00 H new ATOM 662 N GLY A 41 -6.619 -10.224 -5.552 1.00 0.00 N ATOM 663 CA GLY A 41 -7.701 -9.322 -5.943 1.00 0.00 C ATOM 664 C GLY A 41 -7.143 -8.139 -6.718 1.00 0.00 C ATOM 665 O GLY A 41 -6.100 -7.578 -6.382 1.00 0.00 O ATOM 0 H GLY A 41 -6.182 -10.027 -4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.427 -9.857 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.229 -8.969 -5.057 1.00 0.00 H new ATOM 669 N ARG A 42 -7.841 -7.743 -7.767 1.00 0.00 N ATOM 670 CA ARG A 42 -7.365 -6.601 -8.546 1.00 0.00 C ATOM 671 C ARG A 42 -7.973 -5.336 -7.963 1.00 0.00 C ATOM 672 O ARG A 42 -9.072 -5.342 -7.409 1.00 0.00 O ATOM 673 CB ARG A 42 -7.779 -6.731 -10.013 1.00 0.00 C ATOM 674 CG ARG A 42 -6.878 -7.674 -10.816 1.00 0.00 C ATOM 675 CD ARG A 42 -7.071 -9.149 -10.466 1.00 0.00 C ATOM 676 NE ARG A 42 -8.458 -9.541 -10.697 1.00 0.00 N ATOM 677 CZ ARG A 42 -8.806 -10.802 -10.513 1.00 0.00 C ATOM 678 NH1 ARG A 42 -7.906 -11.688 -10.127 1.00 0.00 N ATOM 679 NH2 ARG A 42 -10.055 -11.178 -10.716 1.00 0.00 N ATOM 0 H ARG A 42 -8.707 -8.171 -8.095 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.277 -6.564 -8.500 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.806 -7.092 -10.063 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.765 -5.744 -10.476 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.074 -7.533 -11.879 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.837 -7.402 -10.645 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.405 -9.765 -11.071 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.805 -9.321 -9.423 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.148 -8.852 -10.996 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.940 -11.399 -9.970 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.176 -12.661 -9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.751 -10.495 -11.015 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.324 -12.152 -10.574 1.00 0.00 H new ATOM 693 N GLY A 43 -7.263 -4.229 -8.085 1.00 0.00 N ATOM 694 CA GLY A 43 -7.807 -2.982 -7.553 1.00 0.00 C ATOM 695 C GLY A 43 -7.109 -1.794 -8.195 1.00 0.00 C ATOM 696 O GLY A 43 -6.134 -1.936 -8.932 1.00 0.00 O ATOM 0 H GLY A 43 -6.346 -4.160 -8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.879 -2.932 -7.745 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.675 -2.951 -6.471 1.00 0.00 H new ATOM 700 N ALA A 44 -7.602 -0.600 -7.918 1.00 0.00 N ATOM 701 CA ALA A 44 -6.963 0.576 -8.502 1.00 0.00 C ATOM 702 C ALA A 44 -7.389 1.814 -7.727 1.00 0.00 C ATOM 703 O ALA A 44 -8.353 1.798 -6.963 1.00 0.00 O ATOM 704 CB ALA A 44 -7.374 0.706 -9.966 1.00 0.00 C ATOM 0 H ALA A 44 -8.407 -0.417 -7.320 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.879 0.473 -8.447 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.897 1.584 -10.401 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.062 -0.185 -10.512 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.457 0.812 -10.032 1.00 0.00 H new ATOM 710 N VAL A 45 -6.669 2.904 -7.919 1.00 0.00 N ATOM 711 CA VAL A 45 -7.036 4.124 -7.206 1.00 0.00 C ATOM 712 C VAL A 45 -6.360 5.303 -7.893 1.00 0.00 C ATOM 713 O VAL A 45 -5.187 5.254 -8.259 1.00 0.00 O ATOM 714 CB VAL A 45 -6.622 3.999 -5.738 1.00 0.00 C ATOM 715 CG1 VAL A 45 -5.111 3.818 -5.608 1.00 0.00 C ATOM 716 CG2 VAL A 45 -7.059 5.238 -4.959 1.00 0.00 C ATOM 0 H VAL A 45 -5.859 2.977 -8.535 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.114 4.284 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.114 3.119 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.844 3.732 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.806 2.914 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.603 4.679 -6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.759 5.137 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.588 6.122 -5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.143 5.340 -5.016 1.00 0.00 H new ATOM 726 N SER A 46 -7.106 6.371 -8.101 1.00 0.00 N ATOM 727 CA SER A 46 -6.523 7.504 -8.814 1.00 0.00 C ATOM 728 C SER A 46 -5.512 8.206 -7.919 1.00 0.00 C ATOM 729 O SER A 46 -5.520 8.066 -6.698 1.00 0.00 O ATOM 730 CB SER A 46 -7.636 8.468 -9.216 1.00 0.00 C ATOM 731 OG SER A 46 -8.589 7.794 -10.024 1.00 0.00 O ATOM 0 H SER A 46 -8.075 6.484 -7.804 1.00 0.00 H new ATOM 0 HA SER A 46 -6.011 7.155 -9.711 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.120 8.870 -8.326 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.217 9.314 -9.761 1.00 0.00 H new ATOM 0 HG SER A 46 -9.302 8.417 -10.278 1.00 0.00 H new ATOM 737 N GLU A 47 -4.628 8.973 -8.533 1.00 0.00 N ATOM 738 CA GLU A 47 -3.594 9.641 -7.744 1.00 0.00 C ATOM 739 C GLU A 47 -4.008 11.067 -7.408 1.00 0.00 C ATOM 740 O GLU A 47 -3.171 11.935 -7.166 1.00 0.00 O ATOM 741 CB GLU A 47 -2.291 9.668 -8.543 1.00 0.00 C ATOM 742 CG GLU A 47 -2.452 10.444 -9.850 1.00 0.00 C ATOM 743 CD GLU A 47 -1.145 10.449 -10.626 1.00 0.00 C ATOM 744 OE1 GLU A 47 -0.875 9.472 -11.356 1.00 0.00 O ATOM 745 OE2 GLU A 47 -0.381 11.431 -10.508 1.00 0.00 O ATOM 0 H GLU A 47 -4.598 9.148 -9.537 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.454 9.091 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.504 10.124 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.975 8.648 -8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.239 9.993 -10.454 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.760 11.468 -9.637 1.00 0.00 H new ATOM 752 N LYS A 48 -5.302 11.331 -7.391 1.00 0.00 N ATOM 753 CA LYS A 48 -5.739 12.692 -7.085 1.00 0.00 C ATOM 754 C LYS A 48 -6.032 12.811 -5.596 1.00 0.00 C ATOM 755 O LYS A 48 -6.338 13.886 -5.084 1.00 0.00 O ATOM 756 CB LYS A 48 -6.989 13.022 -7.896 1.00 0.00 C ATOM 757 CG LYS A 48 -6.694 13.012 -9.395 1.00 0.00 C ATOM 758 CD LYS A 48 -7.957 13.350 -10.183 1.00 0.00 C ATOM 759 CE LYS A 48 -7.689 13.317 -11.685 1.00 0.00 C ATOM 760 NZ LYS A 48 -6.680 14.326 -12.041 1.00 0.00 N ATOM 0 H LYS A 48 -6.045 10.658 -7.576 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.950 13.397 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.772 12.298 -7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.367 14.002 -7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.910 13.734 -9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.322 12.032 -9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.746 12.640 -9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.316 14.338 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.343 12.326 -11.979 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.613 13.507 -12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.698 14.488 -13.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.890 15.216 -11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.737 13.988 -11.761 1.00 0.00 H new ATOM 774 N ASP A 49 -5.932 11.704 -4.882 1.00 0.00 N ATOM 775 CA ASP A 49 -6.166 11.771 -3.443 1.00 0.00 C ATOM 776 C ASP A 49 -5.610 10.508 -2.805 1.00 0.00 C ATOM 777 O ASP A 49 -6.300 9.782 -2.090 1.00 0.00 O ATOM 778 CB ASP A 49 -7.666 11.900 -3.183 1.00 0.00 C ATOM 779 CG ASP A 49 -7.948 12.083 -1.700 1.00 0.00 C ATOM 780 OD1 ASP A 49 -7.658 13.173 -1.163 1.00 0.00 O ATOM 781 OD2 ASP A 49 -8.462 11.138 -1.064 1.00 0.00 O ATOM 0 H ASP A 49 -5.700 10.782 -5.251 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.667 12.638 -3.009 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.064 12.748 -3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.180 11.010 -3.548 1.00 0.00 H new ATOM 786 N ALA A 50 -4.346 10.229 -3.074 1.00 0.00 N ATOM 787 CA ALA A 50 -3.761 9.007 -2.529 1.00 0.00 C ATOM 788 C ALA A 50 -2.807 9.375 -1.397 1.00 0.00 C ATOM 789 O ALA A 50 -2.234 10.463 -1.398 1.00 0.00 O ATOM 790 CB ALA A 50 -2.995 8.297 -3.645 1.00 0.00 C ATOM 0 H ALA A 50 -3.723 10.803 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.539 8.349 -2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.551 7.381 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.679 8.052 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.208 8.951 -4.019 1.00 0.00 H new ATOM 796 N PRO A 51 -2.599 8.498 -0.421 1.00 0.00 N ATOM 797 CA PRO A 51 -1.671 8.778 0.669 1.00 0.00 C ATOM 798 C PRO A 51 -0.294 9.168 0.147 1.00 0.00 C ATOM 799 O PRO A 51 0.121 8.771 -0.941 1.00 0.00 O ATOM 800 CB PRO A 51 -1.640 7.434 1.400 1.00 0.00 C ATOM 801 CG PRO A 51 -2.991 6.790 1.091 1.00 0.00 C ATOM 802 CD PRO A 51 -3.295 7.217 -0.342 1.00 0.00 C ATOM 0 HA PRO A 51 -1.967 9.616 1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.816 6.812 1.050 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.503 7.570 2.473 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.944 5.705 1.181 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.762 7.134 1.780 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.918 6.500 -1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.365 7.321 -0.520 1.00 0.00 H new ATOM 810 N LYS A 52 0.425 9.964 0.918 1.00 0.00 N ATOM 811 CA LYS A 52 1.712 10.452 0.423 1.00 0.00 C ATOM 812 C LYS A 52 2.782 9.391 0.637 1.00 0.00 C ATOM 813 O LYS A 52 3.880 9.466 0.088 1.00 0.00 O ATOM 814 CB LYS A 52 2.125 11.731 1.157 1.00 0.00 C ATOM 815 CG LYS A 52 1.389 12.979 0.662 1.00 0.00 C ATOM 816 CD LYS A 52 -0.071 13.031 1.115 1.00 0.00 C ATOM 817 CE LYS A 52 -0.710 14.356 0.709 1.00 0.00 C ATOM 818 NZ LYS A 52 -0.707 14.491 -0.755 1.00 0.00 N ATOM 0 H LYS A 52 0.161 10.279 1.851 1.00 0.00 H new ATOM 0 HA LYS A 52 1.609 10.669 -0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.937 11.606 2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.198 11.880 1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.908 13.867 1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.427 13.009 -0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.625 12.203 0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.127 12.910 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.732 14.406 1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.164 15.185 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.343 15.265 -1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.258 14.701 -1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.033 13.603 -1.186 1.00 0.00 H new ATOM 832 N GLU A 53 2.475 8.388 1.439 1.00 0.00 N ATOM 833 CA GLU A 53 3.477 7.359 1.706 1.00 0.00 C ATOM 834 C GLU A 53 3.803 6.587 0.435 1.00 0.00 C ATOM 835 O GLU A 53 4.927 6.132 0.232 1.00 0.00 O ATOM 836 CB GLU A 53 2.941 6.398 2.766 1.00 0.00 C ATOM 837 CG GLU A 53 2.661 7.129 4.076 1.00 0.00 C ATOM 838 CD GLU A 53 2.168 6.155 5.134 1.00 0.00 C ATOM 839 OE1 GLU A 53 2.941 5.260 5.536 1.00 0.00 O ATOM 840 OE2 GLU A 53 1.003 6.280 5.570 1.00 0.00 O ATOM 0 H GLU A 53 1.576 8.260 1.904 1.00 0.00 H new ATOM 0 HA GLU A 53 4.388 7.837 2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.026 5.927 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.664 5.601 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.567 7.625 4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.915 7.907 3.913 1.00 0.00 H new ATOM 847 N LEU A 54 2.824 6.417 -0.435 1.00 0.00 N ATOM 848 CA LEU A 54 3.093 5.645 -1.645 1.00 0.00 C ATOM 849 C LEU A 54 3.927 6.491 -2.596 1.00 0.00 C ATOM 850 O LEU A 54 4.769 5.985 -3.336 1.00 0.00 O ATOM 851 CB LEU A 54 1.800 5.226 -2.352 1.00 0.00 C ATOM 852 CG LEU A 54 1.049 4.092 -1.650 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.314 4.570 -0.401 1.00 0.00 C ATOM 854 CD2 LEU A 54 0.022 3.520 -2.623 1.00 0.00 C ATOM 0 H LEU A 54 1.876 6.782 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 54 3.629 4.740 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.142 6.092 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.038 4.916 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 54 1.780 3.344 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.203 3.729 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.031 4.988 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.412 5.335 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.524 2.709 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.676 4.304 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.532 3.138 -3.507 1.00 0.00 H new ATOM 866 N LEU A 55 3.696 7.792 -2.602 1.00 0.00 N ATOM 867 CA LEU A 55 4.415 8.623 -3.565 1.00 0.00 C ATOM 868 C LEU A 55 5.839 8.853 -3.086 1.00 0.00 C ATOM 869 O LEU A 55 6.763 9.026 -3.878 1.00 0.00 O ATOM 870 CB LEU A 55 3.700 9.964 -3.724 1.00 0.00 C ATOM 871 CG LEU A 55 2.264 9.803 -4.227 1.00 0.00 C ATOM 872 CD1 LEU A 55 1.590 11.171 -4.249 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.242 9.215 -5.637 1.00 0.00 C ATOM 0 H LEU A 55 3.049 8.283 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 55 4.441 8.114 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.690 10.483 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.258 10.590 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 55 1.734 9.125 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.566 11.066 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.582 11.589 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.140 11.837 -4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.210 9.111 -5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.778 9.878 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.722 8.236 -5.631 1.00 0.00 H new ATOM 885 N GLN A 56 6.036 8.867 -1.782 1.00 0.00 N ATOM 886 CA GLN A 56 7.379 9.144 -1.280 1.00 0.00 C ATOM 887 C GLN A 56 8.204 7.864 -1.277 1.00 0.00 C ATOM 888 O GLN A 56 9.431 7.889 -1.191 1.00 0.00 O ATOM 889 CB GLN A 56 7.257 9.713 0.134 1.00 0.00 C ATOM 890 CG GLN A 56 8.618 10.069 0.727 1.00 0.00 C ATOM 891 CD GLN A 56 9.321 11.129 -0.109 1.00 0.00 C ATOM 892 OE1 GLN A 56 10.098 10.829 -1.014 1.00 0.00 O ATOM 893 NE2 GLN A 56 9.054 12.386 0.192 1.00 0.00 N ATOM 0 H GLN A 56 5.322 8.699 -1.073 1.00 0.00 H new ATOM 0 HA GLN A 56 7.882 9.868 -1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.627 10.602 0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.761 8.985 0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.490 10.432 1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.239 9.175 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.405 12.602 0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.497 13.141 -0.332 1.00 0.00 H new ATOM 902 N MET A 57 7.539 6.725 -1.359 1.00 0.00 N ATOM 903 CA MET A 57 8.279 5.472 -1.247 1.00 0.00 C ATOM 904 C MET A 57 8.595 4.911 -2.627 1.00 0.00 C ATOM 905 O MET A 57 9.537 4.139 -2.797 1.00 0.00 O ATOM 906 CB MET A 57 7.437 4.478 -0.449 1.00 0.00 C ATOM 907 CG MET A 57 8.184 3.163 -0.235 1.00 0.00 C ATOM 908 SD MET A 57 9.715 3.481 0.658 1.00 0.00 S ATOM 909 CE MET A 57 10.331 1.793 0.773 1.00 0.00 C ATOM 0 H MET A 57 6.532 6.636 -1.497 1.00 0.00 H new ATOM 0 HA MET A 57 9.225 5.650 -0.735 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.176 4.912 0.516 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.502 4.286 -0.975 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.561 2.466 0.326 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.401 2.695 -1.195 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.284 1.789 1.302 1.00 0.00 H new ATOM 0 HE2 MET A 57 9.612 1.180 1.316 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.470 1.387 -0.229 1.00 0.00 H new ATOM 919 N LEU A 58 7.800 5.263 -3.623 1.00 0.00 N ATOM 920 CA LEU A 58 7.989 4.619 -4.923 1.00 0.00 C ATOM 921 C LEU A 58 8.171 5.650 -6.028 1.00 0.00 C ATOM 922 O LEU A 58 7.972 5.358 -7.207 1.00 0.00 O ATOM 923 CB LEU A 58 6.772 3.749 -5.238 1.00 0.00 C ATOM 924 CG LEU A 58 6.544 2.656 -4.192 1.00 0.00 C ATOM 925 CD1 LEU A 58 5.243 1.924 -4.510 1.00 0.00 C ATOM 926 CD2 LEU A 58 7.693 1.651 -4.191 1.00 0.00 C ATOM 0 H LEU A 58 7.052 5.955 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 58 8.889 4.006 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.885 4.380 -5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.903 3.288 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 58 6.490 3.123 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.074 1.143 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.413 2.631 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.311 1.475 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.506 0.885 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.769 1.184 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.626 2.165 -3.961 1.00 0.00 H new ATOM 938 N GLU A 59 8.573 6.857 -5.673 1.00 0.00 N ATOM 939 CA GLU A 59 8.870 7.834 -6.721 1.00 0.00 C ATOM 940 C GLU A 59 10.218 8.468 -6.422 1.00 0.00 C ATOM 941 O GLU A 59 10.971 8.842 -7.320 1.00 0.00 O ATOM 942 CB GLU A 59 7.793 8.918 -6.771 1.00 0.00 C ATOM 943 CG GLU A 59 6.410 8.334 -7.051 1.00 0.00 C ATOM 944 CD GLU A 59 6.381 7.617 -8.390 1.00 0.00 C ATOM 945 OE1 GLU A 59 6.951 8.145 -9.369 1.00 0.00 O ATOM 946 OE2 GLU A 59 5.787 6.520 -8.473 1.00 0.00 O ATOM 0 H GLU A 59 8.699 7.181 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 59 8.892 7.331 -7.687 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.775 9.456 -5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.044 9.644 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.137 7.639 -6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.667 9.131 -7.046 1.00 0.00 H new