USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 421 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 45 ASN : amide:sc= 0.754 K(o=1.4,f=0.64) USER MOD Set 1.2: A 49 SER OG : rot -91:sc= 0.638 USER MOD Set 2.1: A 43 THR OG1 : rot 149:sc= 1.25 USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0.416 USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 27 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.5) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 143:sc= -0.235 USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0623) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 154:sc= -0.0516 (180deg=-1.01) USER MOD Single : A 16 GLN : amide:sc=-0.00631 X(o=-0.0063,f=-0.12) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 98:sc= -0.138 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.054) USER MOD Single : A 28 SER OG : rot 180:sc= -0.119 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.097) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N GLN A 3 1.063 9.700 0.810 1.00 0.00 N ATOM 36 CA GLN A 3 0.420 8.663 1.611 1.00 0.00 C ATOM 37 C GLN A 3 0.654 7.285 1.002 1.00 0.00 C ATOM 38 O GLN A 3 -0.233 6.431 1.010 1.00 0.00 O ATOM 39 CB GLN A 3 -1.082 8.941 1.729 1.00 0.00 C ATOM 40 CG GLN A 3 -1.567 9.063 3.165 1.00 0.00 C ATOM 41 CD GLN A 3 -2.224 10.399 3.449 1.00 0.00 C ATOM 42 OE1 GLN A 3 -3.438 10.549 3.319 1.00 0.00 O ATOM 43 NE2 GLN A 3 -1.420 11.382 3.841 1.00 0.00 N ATOM 0 HA GLN A 3 0.862 8.677 2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.316 9.863 1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.631 8.139 1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.276 8.262 3.374 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.724 8.926 3.842 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.418 11.214 3.936 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.805 12.304 4.047 1.00 0.00 H new ATOM 52 N ARG A 4 1.855 7.078 0.473 1.00 0.00 N ATOM 53 CA ARG A 4 2.211 5.804 -0.144 1.00 0.00 C ATOM 54 C ARG A 4 2.751 4.826 0.892 1.00 0.00 C ATOM 55 O ARG A 4 3.962 4.671 1.043 1.00 0.00 O ATOM 56 CB ARG A 4 3.247 6.017 -1.248 1.00 0.00 C ATOM 57 CG ARG A 4 4.387 6.940 -0.846 1.00 0.00 C ATOM 58 CD ARG A 4 5.622 6.705 -1.701 1.00 0.00 C ATOM 59 NE ARG A 4 6.557 7.826 -1.630 1.00 0.00 N ATOM 60 CZ ARG A 4 7.841 7.745 -1.973 1.00 0.00 C ATOM 61 NH1 ARG A 4 8.347 6.599 -2.413 1.00 0.00 N ATOM 62 NH2 ARG A 4 8.622 8.812 -1.878 1.00 0.00 N ATOM 0 H ARG A 4 2.599 7.776 0.459 1.00 0.00 H new ATOM 0 HA ARG A 4 1.307 5.379 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.659 5.051 -1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.750 6.429 -2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.068 7.978 -0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.634 6.779 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.122 5.794 -1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.322 6.548 -2.737 1.00 0.00 H new ATOM 0 HE ARG A 4 6.205 8.724 -1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.751 5.775 -2.490 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.331 6.543 -2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.239 9.696 -1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.606 8.749 -2.141 1.00 0.00 H new ATOM 76 N ILE A 5 1.843 4.170 1.605 1.00 0.00 N ATOM 77 CA ILE A 5 2.220 3.210 2.630 1.00 0.00 C ATOM 78 C ILE A 5 2.599 1.872 2.023 1.00 0.00 C ATOM 79 O ILE A 5 2.297 1.587 0.864 1.00 0.00 O ATOM 80 CB ILE A 5 1.075 2.983 3.634 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.491 4.321 4.056 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.566 2.208 4.848 1.00 0.00 C ATOM 83 CD1 ILE A 5 -0.981 4.265 4.403 1.00 0.00 C ATOM 0 H ILE A 5 0.836 4.288 1.490 1.00 0.00 H new ATOM 0 HA ILE A 5 3.081 3.632 3.148 1.00 0.00 H new ATOM 0 HB ILE A 5 0.297 2.392 3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.044 4.692 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.637 5.041 3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.740 2.060 5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.951 1.239 4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.359 2.769 5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.324 5.258 4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.547 3.925 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.134 3.571 5.230 1.00 0.00 H new ATOM 95 N THR A 6 3.262 1.059 2.822 1.00 0.00 N ATOM 96 CA THR A 6 3.694 -0.265 2.389 1.00 0.00 C ATOM 97 C THR A 6 2.534 -1.254 2.439 1.00 0.00 C ATOM 98 O THR A 6 1.672 -1.167 3.313 1.00 0.00 O ATOM 99 CB THR A 6 4.845 -0.767 3.263 1.00 0.00 C ATOM 100 OG1 THR A 6 4.583 -0.520 4.635 1.00 0.00 O ATOM 101 CG2 THR A 6 6.176 -0.128 2.924 1.00 0.00 C ATOM 0 H THR A 6 3.517 1.290 3.782 1.00 0.00 H new ATOM 0 HA THR A 6 4.042 -0.186 1.359 1.00 0.00 H new ATOM 0 HB THR A 6 4.913 -1.836 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.923 -1.266 5.172 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.949 -0.528 3.580 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.431 -0.347 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.107 0.951 3.060 1.00 0.00 H new ATOM 109 N LEU A 7 2.516 -2.187 1.495 1.00 0.00 N ATOM 110 CA LEU A 7 1.457 -3.190 1.431 1.00 0.00 C ATOM 111 C LEU A 7 1.372 -3.980 2.732 1.00 0.00 C ATOM 112 O LEU A 7 0.281 -4.294 3.209 1.00 0.00 O ATOM 113 CB LEU A 7 1.698 -4.141 0.259 1.00 0.00 C ATOM 114 CG LEU A 7 0.555 -5.114 -0.030 1.00 0.00 C ATOM 115 CD1 LEU A 7 -0.608 -4.392 -0.691 1.00 0.00 C ATOM 116 CD2 LEU A 7 1.040 -6.262 -0.906 1.00 0.00 C ATOM 0 H LEU A 7 3.222 -2.271 0.763 1.00 0.00 H new ATOM 0 HA LEU A 7 0.510 -2.671 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.886 -3.549 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.603 -4.716 0.457 1.00 0.00 H new ATOM 0 HG LEU A 7 0.208 -5.527 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.412 -5.101 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.972 -3.606 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.275 -3.950 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.213 -6.945 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.415 -5.866 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.840 -6.798 -0.394 1.00 0.00 H new ATOM 128 N LYS A 8 2.529 -4.300 3.302 1.00 0.00 N ATOM 129 CA LYS A 8 2.584 -5.054 4.550 1.00 0.00 C ATOM 130 C LYS A 8 1.918 -4.282 5.685 1.00 0.00 C ATOM 131 O LYS A 8 1.081 -4.822 6.407 1.00 0.00 O ATOM 132 CB LYS A 8 4.035 -5.371 4.915 1.00 0.00 C ATOM 133 CG LYS A 8 4.173 -6.456 5.971 1.00 0.00 C ATOM 134 CD LYS A 8 5.045 -7.604 5.487 1.00 0.00 C ATOM 135 CE LYS A 8 6.505 -7.384 5.849 1.00 0.00 C ATOM 136 NZ LYS A 8 7.145 -6.358 4.980 1.00 0.00 N ATOM 0 H LYS A 8 3.441 -4.049 2.920 1.00 0.00 H new ATOM 0 HA LYS A 8 2.041 -5.988 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.568 -5.681 4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.518 -4.462 5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.603 -6.029 6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.186 -6.835 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.696 -8.538 5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.948 -7.706 4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.578 -7.073 6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.047 -8.325 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.162 -6.310 5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.010 -6.615 3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.711 -5.430 5.160 1.00 0.00 H new ATOM 150 N ASP A 9 2.297 -3.018 5.836 1.00 0.00 N ATOM 151 CA ASP A 9 1.738 -2.173 6.886 1.00 0.00 C ATOM 152 C ASP A 9 0.230 -2.019 6.720 1.00 0.00 C ATOM 153 O ASP A 9 -0.540 -2.335 7.627 1.00 0.00 O ATOM 154 CB ASP A 9 2.405 -0.796 6.872 1.00 0.00 C ATOM 155 CG ASP A 9 3.871 -0.861 7.250 1.00 0.00 C ATOM 156 OD1 ASP A 9 4.559 -1.804 6.807 1.00 0.00 O ATOM 157 OD2 ASP A 9 4.333 0.033 7.991 1.00 0.00 O ATOM 0 H ASP A 9 2.988 -2.556 5.246 1.00 0.00 H new ATOM 0 HA ASP A 9 1.932 -2.655 7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.308 -0.358 5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.883 -0.135 7.564 1.00 0.00 H new ATOM 162 N TYR A 10 -0.186 -1.528 5.557 1.00 0.00 N ATOM 163 CA TYR A 10 -1.604 -1.328 5.275 1.00 0.00 C ATOM 164 C TYR A 10 -2.380 -2.634 5.415 1.00 0.00 C ATOM 165 O TYR A 10 -3.546 -2.634 5.811 1.00 0.00 O ATOM 166 CB TYR A 10 -1.792 -0.757 3.870 1.00 0.00 C ATOM 167 CG TYR A 10 -3.214 -0.342 3.574 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.192 -1.289 3.299 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.580 0.998 3.571 1.00 0.00 C ATOM 170 CE1 TYR A 10 -5.494 -0.915 3.028 1.00 0.00 C ATOM 171 CE2 TYR A 10 -4.882 1.382 3.303 1.00 0.00 C ATOM 172 CZ TYR A 10 -5.834 0.422 3.033 1.00 0.00 C ATOM 173 OH TYR A 10 -7.130 0.800 2.765 1.00 0.00 O ATOM 0 H TYR A 10 0.437 -1.261 4.795 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.994 -0.617 6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.137 0.105 3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.480 -1.502 3.139 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.930 -2.337 3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.836 1.752 3.781 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.241 -1.665 2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.151 2.428 3.305 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.202 1.776 2.809 1.00 0.00 H new ATOM 183 N ALA A 11 -1.729 -3.744 5.088 1.00 0.00 N ATOM 184 CA ALA A 11 -2.363 -5.054 5.180 1.00 0.00 C ATOM 185 C ALA A 11 -2.614 -5.442 6.633 1.00 0.00 C ATOM 186 O ALA A 11 -3.722 -5.838 6.997 1.00 0.00 O ATOM 187 CB ALA A 11 -1.502 -6.103 4.492 1.00 0.00 C ATOM 0 H ALA A 11 -0.764 -3.764 4.757 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.328 -5.001 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.986 -7.077 4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.378 -5.840 3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.525 -6.145 4.974 1.00 0.00 H new ATOM 193 N MET A 12 -1.579 -5.329 7.458 1.00 0.00 N ATOM 194 CA MET A 12 -1.684 -5.670 8.870 1.00 0.00 C ATOM 195 C MET A 12 -2.470 -4.612 9.638 1.00 0.00 C ATOM 196 O MET A 12 -3.062 -4.897 10.679 1.00 0.00 O ATOM 197 CB MET A 12 -0.288 -5.833 9.479 1.00 0.00 C ATOM 198 CG MET A 12 0.071 -7.275 9.796 1.00 0.00 C ATOM 199 SD MET A 12 1.807 -7.643 9.477 1.00 0.00 S ATOM 200 CE MET A 12 2.596 -6.203 10.193 1.00 0.00 C ATOM 0 H MET A 12 -0.656 -5.003 7.171 1.00 0.00 H new ATOM 0 HA MET A 12 -2.222 -6.614 8.949 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.451 -5.427 8.788 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.228 -5.243 10.393 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.154 -7.480 10.843 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.553 -7.941 9.200 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.611 -6.458 10.497 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.629 -5.401 9.455 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.029 -5.872 11.063 1.00 0.00 H new ATOM 210 N ARG A 13 -2.468 -3.391 9.119 1.00 0.00 N ATOM 211 CA ARG A 13 -3.179 -2.287 9.756 1.00 0.00 C ATOM 212 C ARG A 13 -4.623 -2.211 9.276 1.00 0.00 C ATOM 213 O ARG A 13 -5.558 -2.323 10.069 1.00 0.00 O ATOM 214 CB ARG A 13 -2.467 -0.963 9.473 1.00 0.00 C ATOM 215 CG ARG A 13 -2.586 0.043 10.606 1.00 0.00 C ATOM 216 CD ARG A 13 -2.535 1.473 10.091 1.00 0.00 C ATOM 217 NE ARG A 13 -1.224 2.083 10.300 1.00 0.00 N ATOM 218 CZ ARG A 13 -0.204 1.964 9.453 1.00 0.00 C ATOM 219 NH1 ARG A 13 -0.334 1.254 8.339 1.00 0.00 N ATOM 220 NH2 ARG A 13 0.953 2.553 9.722 1.00 0.00 N ATOM 0 H ARG A 13 -1.982 -3.139 8.258 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.185 -2.469 10.831 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.412 -1.160 9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.879 -0.525 8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.522 -0.119 11.141 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.779 -0.116 11.321 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.775 1.484 9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.296 2.068 10.596 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.082 2.634 11.147 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.220 0.795 8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.452 1.167 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.061 3.097 10.578 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.735 2.462 9.073 1.00 0.00 H new ATOM 234 N PHE A 14 -4.797 -2.006 7.976 1.00 0.00 N ATOM 235 CA PHE A 14 -6.114 -1.897 7.384 1.00 0.00 C ATOM 236 C PHE A 14 -6.632 -3.250 6.897 1.00 0.00 C ATOM 237 O PHE A 14 -7.537 -3.312 6.065 1.00 0.00 O ATOM 238 CB PHE A 14 -6.045 -0.914 6.226 1.00 0.00 C ATOM 239 CG PHE A 14 -5.763 0.492 6.665 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.790 1.328 7.065 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.466 0.978 6.687 1.00 0.00 C ATOM 242 CE1 PHE A 14 -6.531 2.612 7.473 1.00 0.00 C ATOM 243 CE2 PHE A 14 -4.205 2.260 7.096 1.00 0.00 C ATOM 244 CZ PHE A 14 -5.239 3.074 7.487 1.00 0.00 C ATOM 0 H PHE A 14 -4.030 -1.912 7.310 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.811 -1.542 8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.269 -1.234 5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.989 -0.936 5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.807 0.966 7.056 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.651 0.340 6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.341 3.257 7.782 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.190 2.628 7.111 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.034 4.085 7.808 1.00 0.00 H new ATOM 254 N GLY A 15 -6.058 -4.331 7.419 1.00 0.00 N ATOM 255 CA GLY A 15 -6.483 -5.660 7.018 1.00 0.00 C ATOM 256 C GLY A 15 -6.391 -5.874 5.521 1.00 0.00 C ATOM 257 O GLY A 15 -6.161 -4.932 4.764 1.00 0.00 O ATOM 0 H GLY A 15 -5.308 -4.310 8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.868 -6.403 7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.511 -5.822 7.342 1.00 0.00 H new ATOM 261 N GLN A 16 -6.571 -7.119 5.093 1.00 0.00 N ATOM 262 CA GLN A 16 -6.507 -7.459 3.676 1.00 0.00 C ATOM 263 C GLN A 16 -7.802 -7.079 2.964 1.00 0.00 C ATOM 264 O GLN A 16 -7.797 -6.755 1.775 1.00 0.00 O ATOM 265 CB GLN A 16 -6.235 -8.952 3.500 1.00 0.00 C ATOM 266 CG GLN A 16 -4.766 -9.324 3.611 1.00 0.00 C ATOM 267 CD GLN A 16 -4.555 -10.809 3.819 1.00 0.00 C ATOM 268 OE1 GLN A 16 -5.133 -11.412 4.722 1.00 0.00 O ATOM 269 NE2 GLN A 16 -3.720 -11.413 2.979 1.00 0.00 N ATOM 0 H GLN A 16 -6.763 -7.910 5.708 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.689 -6.892 3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.798 -9.506 4.251 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.608 -9.267 2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.246 -9.010 2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.318 -8.777 4.441 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.260 -10.877 2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.539 -12.413 3.070 1.00 0.00 H new ATOM 278 N THR A 17 -8.910 -7.124 3.697 1.00 0.00 N ATOM 279 CA THR A 17 -10.210 -6.789 3.135 1.00 0.00 C ATOM 280 C THR A 17 -10.270 -5.318 2.737 1.00 0.00 C ATOM 281 O THR A 17 -10.550 -4.987 1.585 1.00 0.00 O ATOM 282 CB THR A 17 -11.320 -7.107 4.139 1.00 0.00 C ATOM 283 OG1 THR A 17 -11.260 -8.468 4.529 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.710 -6.834 3.603 1.00 0.00 C ATOM 0 H THR A 17 -8.932 -7.389 4.682 1.00 0.00 H new ATOM 0 HA THR A 17 -10.357 -7.393 2.239 1.00 0.00 H new ATOM 0 HB THR A 17 -11.147 -6.446 4.988 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.975 -8.656 5.172 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.449 -7.081 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.798 -5.780 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.885 -7.445 2.717 1.00 0.00 H new ATOM 292 N LYS A 18 -10.010 -4.437 3.699 1.00 0.00 N ATOM 293 CA LYS A 18 -10.050 -2.999 3.450 1.00 0.00 C ATOM 294 C LYS A 18 -9.127 -2.615 2.298 1.00 0.00 C ATOM 295 O LYS A 18 -9.355 -1.619 1.613 1.00 0.00 O ATOM 296 CB LYS A 18 -9.657 -2.236 4.717 1.00 0.00 C ATOM 297 CG LYS A 18 -10.480 -0.983 4.956 1.00 0.00 C ATOM 298 CD LYS A 18 -9.684 0.279 4.677 1.00 0.00 C ATOM 299 CE LYS A 18 -10.200 1.456 5.487 1.00 0.00 C ATOM 300 NZ LYS A 18 -11.230 2.234 4.741 1.00 0.00 N ATOM 0 H LYS A 18 -9.770 -4.693 4.657 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.069 -2.730 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.762 -2.898 5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.604 -1.961 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.364 -1.003 4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.831 -0.970 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.634 0.107 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.738 0.516 3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.626 1.094 6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.368 2.111 5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.557 3.028 5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.817 2.601 3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.035 1.616 4.515 1.00 0.00 H new ATOM 314 N THR A 19 -8.081 -3.409 2.091 1.00 0.00 N ATOM 315 CA THR A 19 -7.124 -3.147 1.023 1.00 0.00 C ATOM 316 C THR A 19 -7.691 -3.559 -0.332 1.00 0.00 C ATOM 317 O THR A 19 -7.593 -2.817 -1.308 1.00 0.00 O ATOM 318 CB THR A 19 -5.816 -3.895 1.290 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.470 -3.824 2.661 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.646 -3.362 0.493 1.00 0.00 C ATOM 0 H THR A 19 -7.875 -4.238 2.648 1.00 0.00 H new ATOM 0 HA THR A 19 -6.926 -2.075 1.001 1.00 0.00 H new ATOM 0 HB THR A 19 -6.004 -4.923 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.754 -4.646 3.113 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.751 -3.938 0.731 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.861 -3.449 -0.572 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.481 -2.314 0.745 1.00 0.00 H new ATOM 328 N ALA A 20 -8.281 -4.748 -0.385 1.00 0.00 N ATOM 329 CA ALA A 20 -8.860 -5.259 -1.622 1.00 0.00 C ATOM 330 C ALA A 20 -10.160 -4.539 -1.964 1.00 0.00 C ATOM 331 O ALA A 20 -10.560 -4.482 -3.128 1.00 0.00 O ATOM 332 CB ALA A 20 -9.098 -6.757 -1.512 1.00 0.00 C ATOM 0 H ALA A 20 -8.371 -5.376 0.414 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.151 -5.071 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.530 -7.126 -2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.151 -7.263 -1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.784 -6.957 -0.689 1.00 0.00 H new ATOM 338 N LYS A 21 -10.820 -3.997 -0.947 1.00 0.00 N ATOM 339 CA LYS A 21 -12.080 -3.288 -1.146 1.00 0.00 C ATOM 340 C LYS A 21 -11.830 -1.870 -1.654 1.00 0.00 C ATOM 341 O LYS A 21 -12.530 -1.396 -2.553 1.00 0.00 O ATOM 342 CB LYS A 21 -12.870 -3.247 0.161 1.00 0.00 C ATOM 343 CG LYS A 21 -14.250 -3.877 0.052 1.00 0.00 C ATOM 344 CD LYS A 21 -14.810 -4.241 1.420 1.00 0.00 C ATOM 345 CE LYS A 21 -15.940 -5.247 1.313 1.00 0.00 C ATOM 346 NZ LYS A 21 -17.280 -4.590 1.399 1.00 0.00 N ATOM 0 H LYS A 21 -10.505 -4.034 0.022 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.661 -3.823 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.303 -3.763 0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.976 -2.210 0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.928 -3.185 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.194 -4.771 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.014 -4.652 2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.170 -3.340 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.859 -5.785 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.846 -5.985 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.026 -5.311 1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.367 -4.098 2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.381 -3.904 0.624 1.00 0.00 H new ATOM 360 N ASP A 22 -10.850 -1.195 -1.073 1.00 0.00 N ATOM 361 CA ASP A 22 -10.520 0.168 -1.466 1.00 0.00 C ATOM 362 C ASP A 22 -9.897 0.202 -2.857 1.00 0.00 C ATOM 363 O ASP A 22 -10.190 1.083 -3.663 1.00 0.00 O ATOM 364 CB ASP A 22 -9.570 0.795 -0.447 1.00 0.00 C ATOM 365 CG ASP A 22 -10.280 1.696 0.538 1.00 0.00 C ATOM 366 OD1 ASP A 22 -11.520 1.562 0.677 1.00 0.00 O ATOM 367 OD2 ASP A 22 -9.617 2.538 1.171 1.00 0.00 O ATOM 0 H ASP A 22 -10.267 -1.570 -0.325 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.444 0.746 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.055 0.004 0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.807 1.369 -0.973 1.00 0.00 H new ATOM 372 N LEU A 23 -9.024 -0.763 -3.132 1.00 0.00 N ATOM 373 CA LEU A 23 -8.355 -0.841 -4.425 1.00 0.00 C ATOM 374 C LEU A 23 -9.269 -1.466 -5.475 1.00 0.00 C ATOM 375 O LEU A 23 -9.157 -1.167 -6.665 1.00 0.00 O ATOM 376 CB LEU A 23 -7.063 -1.653 -4.304 1.00 0.00 C ATOM 377 CG LEU A 23 -5.793 -0.913 -4.735 1.00 0.00 C ATOM 378 CD1 LEU A 23 -4.707 -1.055 -3.680 1.00 0.00 C ATOM 379 CD2 LEU A 23 -5.303 -1.427 -6.080 1.00 0.00 C ATOM 0 H LEU A 23 -8.764 -1.501 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.111 0.173 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.947 -1.971 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.161 -2.557 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.033 0.145 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.813 -0.523 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.058 -0.634 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.471 -2.110 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.400 -0.889 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.082 -2.492 -6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.075 -1.270 -6.833 1.00 0.00 H new ATOM 391 N GLY A 24 -10.170 -2.334 -5.030 1.00 0.00 N ATOM 392 CA GLY A 24 -11.090 -2.985 -5.946 1.00 0.00 C ATOM 393 C GLY A 24 -10.460 -4.183 -6.636 1.00 0.00 C ATOM 394 O GLY A 24 -10.800 -4.492 -7.780 1.00 0.00 O ATOM 0 H GLY A 24 -10.281 -2.599 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.977 -3.307 -5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.421 -2.268 -6.697 1.00 0.00 H new ATOM 398 N VAL A 25 -9.562 -4.860 -5.939 1.00 0.00 N ATOM 399 CA VAL A 25 -8.892 -6.032 -6.490 1.00 0.00 C ATOM 400 C VAL A 25 -9.292 -7.298 -5.741 1.00 0.00 C ATOM 401 O VAL A 25 -10.080 -7.250 -4.797 1.00 0.00 O ATOM 402 CB VAL A 25 -7.360 -5.883 -6.433 1.00 0.00 C ATOM 403 CG1 VAL A 25 -6.885 -4.862 -7.455 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.912 -5.493 -5.031 1.00 0.00 C ATOM 0 H VAL A 25 -9.278 -4.620 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.205 -6.112 -7.531 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.911 -6.845 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.800 -4.770 -7.400 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.172 -5.188 -8.455 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.342 -3.895 -7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.827 -5.392 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.370 -4.543 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.218 -6.264 -4.324 1.00 0.00 H new ATOM 414 N GLN A 26 -8.743 -8.431 -6.167 1.00 0.00 N ATOM 415 CA GLN A 26 -9.040 -9.710 -5.537 1.00 0.00 C ATOM 416 C GLN A 26 -8.162 -9.924 -4.312 1.00 0.00 C ATOM 417 O GLN A 26 -6.951 -9.706 -4.357 1.00 0.00 O ATOM 418 CB GLN A 26 -8.839 -10.854 -6.533 1.00 0.00 C ATOM 419 CG GLN A 26 -10.030 -11.083 -7.445 1.00 0.00 C ATOM 420 CD GLN A 26 -9.636 -11.625 -8.804 1.00 0.00 C ATOM 421 OE1 GLN A 26 -10.140 -12.651 -9.251 1.00 0.00 O ATOM 422 NE2 GLN A 26 -8.716 -10.937 -9.469 1.00 0.00 N ATOM 0 H GLN A 26 -8.089 -8.488 -6.948 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.082 -9.699 -5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.960 -10.643 -7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.632 -11.772 -5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.719 -11.780 -6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.567 -10.144 -7.576 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.321 -10.089 -9.063 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.404 -11.257 -10.386 1.00 0.00 H new ATOM 431 N GLN A 27 -8.782 -10.352 -3.218 1.00 0.00 N ATOM 432 CA GLN A 27 -8.060 -10.596 -1.972 1.00 0.00 C ATOM 433 C GLN A 27 -6.895 -11.554 -2.189 1.00 0.00 C ATOM 434 O GLN A 27 -5.923 -11.548 -1.432 1.00 0.00 O ATOM 435 CB GLN A 27 -9.009 -11.158 -0.911 1.00 0.00 C ATOM 436 CG GLN A 27 -10.330 -10.413 -0.823 1.00 0.00 C ATOM 437 CD GLN A 27 -10.940 -10.472 0.563 1.00 0.00 C ATOM 438 OE1 GLN A 27 -11.210 -11.550 1.089 1.00 0.00 O ATOM 439 NE2 GLN A 27 -11.150 -9.306 1.164 1.00 0.00 N ATOM 0 H GLN A 27 -9.784 -10.538 -3.167 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.658 -9.644 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.207 -12.207 -1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.516 -11.123 0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.175 -9.371 -1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.031 -10.836 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.910 -8.436 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.551 -9.280 2.101 1.00 0.00 H new ATOM 448 N SER A 28 -6.998 -12.376 -3.226 1.00 0.00 N ATOM 449 CA SER A 28 -5.954 -13.340 -3.546 1.00 0.00 C ATOM 450 C SER A 28 -4.686 -12.633 -4.011 1.00 0.00 C ATOM 451 O SER A 28 -3.575 -13.049 -3.683 1.00 0.00 O ATOM 452 CB SER A 28 -6.438 -14.308 -4.626 1.00 0.00 C ATOM 453 OG SER A 28 -7.034 -13.612 -5.707 1.00 0.00 O ATOM 0 H SER A 28 -7.796 -12.394 -3.861 1.00 0.00 H new ATOM 0 HA SER A 28 -5.724 -13.903 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.599 -14.900 -4.990 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.158 -15.005 -4.197 1.00 0.00 H new ATOM 0 HG SER A 28 -7.333 -14.254 -6.384 1.00 0.00 H new ATOM 459 N ALA A 29 -4.860 -11.561 -4.778 1.00 0.00 N ATOM 460 CA ALA A 29 -3.728 -10.795 -5.289 1.00 0.00 C ATOM 461 C ALA A 29 -2.859 -10.274 -4.151 1.00 0.00 C ATOM 462 O ALA A 29 -1.631 -10.323 -4.224 1.00 0.00 O ATOM 463 CB ALA A 29 -4.217 -9.645 -6.155 1.00 0.00 C ATOM 0 H ALA A 29 -5.773 -11.203 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.117 -11.459 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.362 -9.082 -6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.788 -10.040 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.852 -8.987 -5.562 1.00 0.00 H new ATOM 469 N ILE A 30 -3.501 -9.781 -3.097 1.00 0.00 N ATOM 470 CA ILE A 30 -2.778 -9.262 -1.944 1.00 0.00 C ATOM 471 C ILE A 30 -1.953 -10.367 -1.295 1.00 0.00 C ATOM 472 O ILE A 30 -0.853 -10.129 -0.798 1.00 0.00 O ATOM 473 CB ILE A 30 -3.740 -8.643 -0.902 1.00 0.00 C ATOM 474 CG1 ILE A 30 -4.304 -7.317 -1.419 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.034 -8.429 0.433 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.110 -7.452 -2.692 1.00 0.00 C ATOM 0 H ILE A 30 -4.517 -9.730 -3.018 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.112 -8.475 -2.299 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.563 -9.340 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.933 -6.875 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.480 -6.625 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.732 -7.993 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.676 -9.386 0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.189 -7.755 0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.476 -6.472 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.480 -7.864 -3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.956 -8.117 -2.518 1.00 0.00 H new ATOM 488 N ASN A 31 -2.491 -11.583 -1.314 1.00 0.00 N ATOM 489 CA ASN A 31 -1.803 -12.730 -0.740 1.00 0.00 C ATOM 490 C ASN A 31 -0.533 -13.033 -1.527 1.00 0.00 C ATOM 491 O ASN A 31 0.535 -13.229 -0.948 1.00 0.00 O ATOM 492 CB ASN A 31 -2.723 -13.953 -0.729 1.00 0.00 C ATOM 493 CG ASN A 31 -2.753 -14.640 0.622 1.00 0.00 C ATOM 494 OD1 ASN A 31 -3.801 -14.725 1.264 1.00 0.00 O ATOM 495 ND2 ASN A 31 -1.603 -15.136 1.061 1.00 0.00 N ATOM 0 H ASN A 31 -3.401 -11.797 -1.721 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.529 -12.491 0.288 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.733 -13.647 -1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.390 -14.662 -1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.563 -15.610 1.963 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.759 -15.043 0.496 1.00 0.00 H new ATOM 502 N LYS A 32 -0.661 -13.065 -2.852 1.00 0.00 N ATOM 503 CA LYS A 32 0.473 -13.338 -3.724 1.00 0.00 C ATOM 504 C LYS A 32 1.541 -12.261 -3.583 1.00 0.00 C ATOM 505 O LYS A 32 2.729 -12.517 -3.772 1.00 0.00 O ATOM 506 CB LYS A 32 0.011 -13.418 -5.180 1.00 0.00 C ATOM 507 CG LYS A 32 -0.334 -14.826 -5.635 1.00 0.00 C ATOM 508 CD LYS A 32 -1.831 -15.081 -5.574 1.00 0.00 C ATOM 509 CE LYS A 32 -2.138 -16.541 -5.284 1.00 0.00 C ATOM 510 NZ LYS A 32 -1.726 -17.430 -6.406 1.00 0.00 N ATOM 0 H LYS A 32 -1.541 -12.905 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 32 0.904 -14.294 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.863 -12.779 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.796 -13.020 -5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.020 -14.977 -6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.185 -15.550 -5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.276 -14.454 -4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.289 -14.793 -6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.624 -16.846 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.206 -16.658 -5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.953 -18.417 -6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.235 -17.156 -7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.702 -17.338 -6.564 1.00 0.00 H new ATOM 524 N TRP A 33 1.100 -11.056 -3.259 1.00 0.00 N ATOM 525 CA TRP A 33 1.989 -9.928 -3.097 1.00 0.00 C ATOM 526 C TRP A 33 2.854 -10.079 -1.851 1.00 0.00 C ATOM 527 O TRP A 33 4.067 -9.868 -1.892 1.00 0.00 O ATOM 528 CB TRP A 33 1.142 -8.668 -3.016 1.00 0.00 C ATOM 529 CG TRP A 33 0.475 -8.344 -4.304 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.763 -8.892 -5.502 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.597 -7.429 -4.520 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.050 -8.366 -6.474 1.00 0.00 N ATOM 533 CE2 TRP A 33 -0.898 -7.461 -5.894 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.325 -6.583 -3.689 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -1.899 -6.677 -6.456 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.323 -5.803 -4.243 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.602 -5.853 -5.617 1.00 0.00 C ATOM 0 H TRP A 33 0.116 -10.837 -3.102 1.00 0.00 H new ATOM 0 HA TRP A 33 2.668 -9.871 -3.948 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.386 -8.792 -2.241 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.771 -7.830 -2.716 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.525 -9.638 -5.672 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.027 -8.609 -7.464 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.114 -6.537 -2.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.114 -6.716 -7.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.897 -5.145 -3.608 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.386 -5.230 -6.021 1.00 0.00 H new ATOM 548 N ILE A 34 2.221 -10.447 -0.743 1.00 0.00 N ATOM 549 CA ILE A 34 2.927 -10.632 0.517 1.00 0.00 C ATOM 550 C ILE A 34 3.584 -12.008 0.591 1.00 0.00 C ATOM 551 O ILE A 34 4.491 -12.229 1.393 1.00 0.00 O ATOM 552 CB ILE A 34 1.981 -10.462 1.721 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.164 -9.177 1.579 1.00 0.00 C ATOM 554 CG2 ILE A 34 2.774 -10.452 3.020 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.081 -9.030 2.626 1.00 0.00 C ATOM 0 H ILE A 34 1.218 -10.623 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 34 3.700 -9.864 0.558 1.00 0.00 H new ATOM 0 HB ILE A 34 1.292 -11.306 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.836 -8.321 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.707 -9.154 0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.092 -10.331 3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.315 -11.393 3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.484 -9.625 3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.458 -8.096 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.613 -9.867 2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.533 -9.021 3.618 1.00 0.00 H new ATOM 567 N HIS A 35 3.120 -12.932 -0.248 1.00 0.00 N ATOM 568 CA HIS A 35 3.666 -14.288 -0.273 1.00 0.00 C ATOM 569 C HIS A 35 5.170 -14.266 -0.489 1.00 0.00 C ATOM 570 O HIS A 35 5.923 -14.965 0.187 1.00 0.00 O ATOM 571 CB HIS A 35 3.000 -15.110 -1.376 1.00 0.00 C ATOM 572 CG HIS A 35 2.821 -16.551 -1.019 1.00 0.00 C ATOM 573 ND1 HIS A 35 2.760 -17.560 -1.956 1.00 0.00 N ATOM 574 CD2 HIS A 35 2.689 -17.149 0.185 1.00 0.00 C ATOM 575 CE1 HIS A 35 2.599 -18.719 -1.342 1.00 0.00 C ATOM 576 NE2 HIS A 35 2.552 -18.497 -0.041 1.00 0.00 N ATOM 0 H HIS A 35 2.369 -12.767 -0.918 1.00 0.00 H new ATOM 0 HA HIS A 35 3.460 -14.749 0.693 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.026 -14.676 -1.604 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.600 -15.040 -2.283 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.691 -16.658 1.147 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.519 -19.683 -1.822 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.433 -19.210 0.679 1.00 0.00 H new ATOM 585 N ALA A 36 5.592 -13.458 -1.443 1.00 0.00 N ATOM 586 CA ALA A 36 7.005 -13.328 -1.773 1.00 0.00 C ATOM 587 C ALA A 36 7.583 -12.008 -1.262 1.00 0.00 C ATOM 588 O ALA A 36 8.723 -11.662 -1.574 1.00 0.00 O ATOM 589 CB ALA A 36 7.203 -13.447 -3.275 1.00 0.00 C ATOM 0 H ALA A 36 4.974 -12.876 -2.009 1.00 0.00 H new ATOM 0 HA ALA A 36 7.541 -14.136 -1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.263 -13.348 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.845 -14.419 -3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.644 -12.659 -3.779 1.00 0.00 H new ATOM 595 N GLY A 37 6.795 -11.277 -0.479 1.00 0.00 N ATOM 596 CA GLY A 37 7.255 -10.010 0.055 1.00 0.00 C ATOM 597 C GLY A 37 7.483 -8.971 -1.025 1.00 0.00 C ATOM 598 O GLY A 37 8.569 -8.402 -1.129 1.00 0.00 O ATOM 0 H GLY A 37 5.848 -11.540 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.522 -9.633 0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.183 -10.167 0.605 1.00 0.00 H new ATOM 602 N ARG A 38 6.456 -8.725 -1.832 1.00 0.00 N ATOM 603 CA ARG A 38 6.548 -7.749 -2.910 1.00 0.00 C ATOM 604 C ARG A 38 6.462 -6.327 -2.365 1.00 0.00 C ATOM 605 O ARG A 38 5.404 -5.886 -1.915 1.00 0.00 O ATOM 606 CB ARG A 38 5.435 -7.982 -3.933 1.00 0.00 C ATOM 607 CG ARG A 38 5.713 -7.356 -5.291 1.00 0.00 C ATOM 608 CD ARG A 38 5.895 -8.413 -6.369 1.00 0.00 C ATOM 609 NE ARG A 38 6.000 -7.823 -7.700 1.00 0.00 N ATOM 610 CZ ARG A 38 6.454 -8.477 -8.767 1.00 0.00 C ATOM 611 NH1 ARG A 38 6.843 -9.742 -8.664 1.00 0.00 N ATOM 612 NH2 ARG A 38 6.518 -7.865 -9.942 1.00 0.00 N ATOM 0 H ARG A 38 5.550 -9.189 -1.759 1.00 0.00 H new ATOM 0 HA ARG A 38 7.514 -7.875 -3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.289 -9.055 -4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.502 -7.578 -3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.889 -6.696 -5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.609 -6.739 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.792 -8.995 -6.158 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.053 -9.105 -6.344 1.00 0.00 H new ATOM 0 HE ARG A 38 5.708 -6.853 -7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.795 -10.219 -7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.190 -10.237 -9.485 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.219 -6.893 -10.028 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.866 -8.366 -10.760 1.00 0.00 H new ATOM 626 N LYS A 39 7.584 -5.613 -2.408 1.00 0.00 N ATOM 627 CA LYS A 39 7.633 -4.241 -1.917 1.00 0.00 C ATOM 628 C LYS A 39 6.717 -3.338 -2.736 1.00 0.00 C ATOM 629 O LYS A 39 7.147 -2.718 -3.709 1.00 0.00 O ATOM 630 CB LYS A 39 9.067 -3.710 -1.966 1.00 0.00 C ATOM 631 CG LYS A 39 9.359 -2.643 -0.922 1.00 0.00 C ATOM 632 CD LYS A 39 9.615 -1.288 -1.560 1.00 0.00 C ATOM 633 CE LYS A 39 11.101 -0.963 -1.606 1.00 0.00 C ATOM 634 NZ LYS A 39 11.494 -0.013 -0.529 1.00 0.00 N ATOM 0 H LYS A 39 8.469 -5.962 -2.777 1.00 0.00 H new ATOM 0 HA LYS A 39 7.287 -4.239 -0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.758 -4.541 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.259 -3.299 -2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.518 -2.568 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.228 -2.938 -0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.208 -1.279 -2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.090 -0.515 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.677 -1.883 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.349 -0.534 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.513 0.183 -0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.963 0.874 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.281 -0.432 0.399 1.00 0.00 H new ATOM 648 N ILE A 40 5.450 -3.270 -2.337 1.00 0.00 N ATOM 649 CA ILE A 40 4.473 -2.445 -3.035 1.00 0.00 C ATOM 650 C ILE A 40 4.005 -1.287 -2.159 1.00 0.00 C ATOM 651 O ILE A 40 4.112 -1.337 -0.934 1.00 0.00 O ATOM 652 CB ILE A 40 3.246 -3.276 -3.467 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.687 -4.473 -4.311 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.258 -2.411 -4.239 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.536 -5.305 -4.831 1.00 0.00 C ATOM 0 H ILE A 40 5.077 -3.777 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 40 4.967 -2.049 -3.922 1.00 0.00 H new ATOM 0 HB ILE A 40 2.747 -3.648 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.275 -4.114 -5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.341 -5.107 -3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.400 -3.015 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.923 -1.589 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.743 -2.010 -5.129 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.925 -6.136 -5.420 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.960 -5.694 -3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.893 -4.686 -5.456 1.00 0.00 H new ATOM 667 N PHE A 41 3.483 -0.246 -2.799 1.00 0.00 N ATOM 668 CA PHE A 41 2.993 0.924 -2.081 1.00 0.00 C ATOM 669 C PHE A 41 1.584 1.289 -2.533 1.00 0.00 C ATOM 670 O PHE A 41 1.195 1.012 -3.668 1.00 0.00 O ATOM 671 CB PHE A 41 3.933 2.113 -2.294 1.00 0.00 C ATOM 672 CG PHE A 41 5.276 1.939 -1.644 1.00 0.00 C ATOM 673 CD1 PHE A 41 5.461 2.258 -0.309 1.00 0.00 C ATOM 674 CD2 PHE A 41 6.354 1.457 -2.370 1.00 0.00 C ATOM 675 CE1 PHE A 41 6.697 2.100 0.292 1.00 0.00 C ATOM 676 CE2 PHE A 41 7.592 1.296 -1.775 1.00 0.00 C ATOM 677 CZ PHE A 41 7.762 1.618 -0.443 1.00 0.00 C ATOM 0 H PHE A 41 3.389 -0.189 -3.813 1.00 0.00 H new ATOM 0 HA PHE A 41 2.963 0.680 -1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.073 2.268 -3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.462 3.014 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.631 2.635 0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.226 1.204 -3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.829 2.353 1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.424 0.919 -2.351 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.728 1.493 0.024 1.00 0.00 H new ATOM 687 N LEU A 42 0.822 1.912 -1.641 1.00 0.00 N ATOM 688 CA LEU A 42 -0.545 2.313 -1.949 1.00 0.00 C ATOM 689 C LEU A 42 -0.844 3.700 -1.391 1.00 0.00 C ATOM 690 O LEU A 42 -0.585 3.978 -0.220 1.00 0.00 O ATOM 691 CB LEU A 42 -1.539 1.293 -1.386 1.00 0.00 C ATOM 692 CG LEU A 42 -1.700 1.310 0.136 1.00 0.00 C ATOM 693 CD1 LEU A 42 -2.792 0.342 0.567 1.00 0.00 C ATOM 694 CD2 LEU A 42 -0.381 0.972 0.816 1.00 0.00 C ATOM 0 H LEU A 42 1.129 2.150 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.651 2.349 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.514 1.471 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.223 0.295 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.994 2.314 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.893 0.367 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.737 0.632 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.529 -0.667 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.514 0.989 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.056 -0.021 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.373 1.706 0.532 1.00 0.00 H new ATOM 706 N THR A 43 -1.392 4.568 -2.235 1.00 0.00 N ATOM 707 CA THR A 43 -1.726 5.927 -1.824 1.00 0.00 C ATOM 708 C THR A 43 -3.191 6.028 -1.411 1.00 0.00 C ATOM 709 O THR A 43 -4.090 5.739 -2.200 1.00 0.00 O ATOM 710 CB THR A 43 -1.436 6.913 -2.956 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.179 6.640 -3.550 1.00 0.00 O ATOM 712 CG2 THR A 43 -1.426 8.357 -2.504 1.00 0.00 C ATOM 0 H THR A 43 -1.614 4.355 -3.207 1.00 0.00 H new ATOM 0 HA THR A 43 -1.106 6.180 -0.964 1.00 0.00 H new ATOM 0 HB THR A 43 -2.248 6.778 -3.671 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.206 6.883 -4.499 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.214 9.003 -3.356 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.399 8.614 -2.086 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.657 8.495 -1.744 1.00 0.00 H new ATOM 720 N ILE A 44 -3.422 6.439 -0.168 1.00 0.00 N ATOM 721 CA ILE A 44 -4.776 6.580 0.350 1.00 0.00 C ATOM 722 C ILE A 44 -5.295 8.001 0.154 1.00 0.00 C ATOM 723 O ILE A 44 -4.620 8.971 0.500 1.00 0.00 O ATOM 724 CB ILE A 44 -4.848 6.227 1.849 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.136 4.900 2.120 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.296 6.160 2.309 1.00 0.00 C ATOM 727 CD1 ILE A 44 -3.958 4.601 3.592 1.00 0.00 C ATOM 0 H ILE A 44 -2.688 6.680 0.498 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.400 5.884 -0.211 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.343 7.010 2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.703 4.091 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.158 4.917 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.330 5.910 3.369 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.774 7.127 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.824 5.396 1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.446 3.646 3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.365 5.390 4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.934 4.552 4.074 1.00 0.00 H new ATOM 739 N ASN A 45 -6.496 8.116 -0.402 1.00 0.00 N ATOM 740 CA ASN A 45 -7.102 9.422 -0.642 1.00 0.00 C ATOM 741 C ASN A 45 -8.029 9.811 0.505 1.00 0.00 C ATOM 742 O ASN A 45 -8.318 9.001 1.385 1.00 0.00 O ATOM 743 CB ASN A 45 -7.883 9.414 -1.959 1.00 0.00 C ATOM 744 CG ASN A 45 -7.032 8.979 -3.135 1.00 0.00 C ATOM 745 OD1 ASN A 45 -6.560 9.805 -3.915 1.00 0.00 O ATOM 746 ND2 ASN A 45 -6.832 7.673 -3.268 1.00 0.00 N ATOM 0 H ASN A 45 -7.068 7.324 -0.694 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.300 10.158 -0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.738 8.745 -1.866 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.278 10.412 -2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.268 7.320 -4.041 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.243 7.023 -2.597 1.00 0.00 H new ATOM 753 N ALA A 46 -8.493 11.056 0.486 1.00 0.00 N ATOM 754 CA ALA A 46 -9.388 11.554 1.523 1.00 0.00 C ATOM 755 C ALA A 46 -10.850 11.320 1.158 1.00 0.00 C ATOM 756 O ALA A 46 -11.750 11.802 1.842 1.00 0.00 O ATOM 757 CB ALA A 46 -9.139 13.035 1.761 1.00 0.00 C ATOM 0 H ALA A 46 -8.264 11.738 -0.237 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.179 11.002 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.813 13.397 2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.107 13.184 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.319 13.587 0.838 1.00 0.00 H new ATOM 763 N ASP A 47 -11.080 10.578 0.079 1.00 0.00 N ATOM 764 CA ASP A 47 -12.440 10.281 -0.370 1.00 0.00 C ATOM 765 C ASP A 47 -12.820 8.844 -0.035 1.00 0.00 C ATOM 766 O ASP A 47 -14.000 8.499 -0.011 1.00 0.00 O ATOM 767 CB ASP A 47 -12.570 10.515 -1.880 1.00 0.00 C ATOM 768 CG ASP A 47 -11.240 10.512 -2.609 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.790 9.422 -3.019 1.00 0.00 O ATOM 770 OD2 ASP A 47 -10.640 11.601 -2.768 1.00 0.00 O ATOM 0 H ASP A 47 -10.346 10.171 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.121 10.952 0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.210 9.742 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.067 11.470 -2.050 1.00 0.00 H new ATOM 775 N GLY A 48 -11.820 8.010 0.220 1.00 0.00 N ATOM 776 CA GLY A 48 -12.070 6.619 0.545 1.00 0.00 C ATOM 777 C GLY A 48 -11.560 5.672 -0.523 1.00 0.00 C ATOM 778 O GLY A 48 -11.870 4.479 -0.500 1.00 0.00 O ATOM 0 H GLY A 48 -10.835 8.274 0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.593 6.380 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.141 6.467 0.679 1.00 0.00 H new ATOM 782 N SER A 49 -10.780 6.198 -1.463 1.00 0.00 N ATOM 783 CA SER A 49 -10.230 5.383 -2.538 1.00 0.00 C ATOM 784 C SER A 49 -8.746 5.137 -2.316 1.00 0.00 C ATOM 785 O SER A 49 -8.073 5.914 -1.639 1.00 0.00 O ATOM 786 CB SER A 49 -10.450 6.065 -3.889 1.00 0.00 C ATOM 787 OG SER A 49 -9.490 7.081 -4.112 1.00 0.00 O ATOM 0 H SER A 49 -10.516 7.182 -1.501 1.00 0.00 H new ATOM 0 HA SER A 49 -10.747 4.423 -2.539 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.392 5.325 -4.687 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.452 6.493 -3.924 1.00 0.00 H new ATOM 0 HG SER A 49 -9.833 7.935 -3.775 1.00 0.00 H new ATOM 793 N VAL A 50 -8.237 4.051 -2.886 1.00 0.00 N ATOM 794 CA VAL A 50 -6.827 3.708 -2.745 1.00 0.00 C ATOM 795 C VAL A 50 -6.316 2.961 -3.971 1.00 0.00 C ATOM 796 O VAL A 50 -7.014 2.116 -4.531 1.00 0.00 O ATOM 797 CB VAL A 50 -6.579 2.843 -1.492 1.00 0.00 C ATOM 798 CG1 VAL A 50 -5.101 2.836 -1.135 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.413 3.338 -0.320 1.00 0.00 C ATOM 0 H VAL A 50 -8.778 3.394 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.284 4.648 -2.642 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.884 1.821 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.944 2.221 -0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.528 2.427 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.771 3.855 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.222 2.713 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.145 4.370 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.471 3.286 -0.579 1.00 0.00 H new ATOM 809 N TYR A 51 -5.091 3.276 -4.382 1.00 0.00 N ATOM 810 CA TYR A 51 -4.485 2.632 -5.542 1.00 0.00 C ATOM 811 C TYR A 51 -3.083 2.129 -5.213 1.00 0.00 C ATOM 812 O TYR A 51 -2.377 2.722 -4.397 1.00 0.00 O ATOM 813 CB TYR A 51 -4.434 3.600 -6.726 1.00 0.00 C ATOM 814 CG TYR A 51 -3.490 4.765 -6.524 1.00 0.00 C ATOM 815 CD1 TYR A 51 -2.118 4.604 -6.670 1.00 0.00 C ATOM 816 CD2 TYR A 51 -3.971 6.025 -6.190 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.251 5.665 -6.489 1.00 0.00 C ATOM 818 CE2 TYR A 51 -3.111 7.091 -6.009 1.00 0.00 C ATOM 819 CZ TYR A 51 -1.753 6.906 -6.159 1.00 0.00 C ATOM 820 OH TYR A 51 -0.894 7.965 -5.978 1.00 0.00 O ATOM 0 H TYR A 51 -4.499 3.973 -3.929 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.102 1.776 -5.815 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.133 3.052 -7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.437 3.985 -6.911 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.722 3.633 -6.929 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.034 6.173 -6.070 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.187 5.523 -6.605 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.501 8.065 -5.751 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.408 8.768 -5.751 1.00 0.00 H new ATOM 830 N ALA A 52 -2.687 1.032 -5.850 1.00 0.00 N ATOM 831 CA ALA A 52 -1.372 0.449 -5.619 1.00 0.00 C ATOM 832 C ALA A 52 -0.374 0.894 -6.684 1.00 0.00 C ATOM 833 O ALA A 52 -0.664 0.847 -7.879 1.00 0.00 O ATOM 834 CB ALA A 52 -1.467 -1.070 -5.587 1.00 0.00 C ATOM 0 H ALA A 52 -3.258 0.530 -6.530 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.012 0.803 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.477 -1.493 -5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.138 -1.376 -4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.854 -1.431 -6.540 1.00 0.00 H new ATOM 840 N GLU A 53 0.803 1.322 -6.238 1.00 0.00 N ATOM 841 CA GLU A 53 1.849 1.774 -7.149 1.00 0.00 C ATOM 842 C GLU A 53 3.086 0.891 -7.029 1.00 0.00 C ATOM 843 O GLU A 53 3.103 -0.066 -6.254 1.00 0.00 O ATOM 844 CB GLU A 53 2.217 3.229 -6.856 1.00 0.00 C ATOM 845 CG GLU A 53 2.764 3.447 -5.454 1.00 0.00 C ATOM 846 CD GLU A 53 3.923 4.425 -5.427 1.00 0.00 C ATOM 847 OE1 GLU A 53 4.028 5.248 -6.361 1.00 0.00 O ATOM 848 OE2 GLU A 53 4.725 4.368 -4.471 1.00 0.00 O ATOM 0 H GLU A 53 1.056 1.365 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 53 1.468 1.703 -8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.959 3.561 -7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.334 3.853 -6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.966 3.817 -4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.089 2.492 -5.042 1.00 0.00 H new ATOM 855 N GLU A 54 4.119 1.215 -7.798 1.00 0.00 N ATOM 856 CA GLU A 54 5.359 0.445 -7.773 1.00 0.00 C ATOM 857 C GLU A 54 6.573 1.359 -7.898 1.00 0.00 C ATOM 858 O GLU A 54 6.471 2.479 -8.399 1.00 0.00 O ATOM 859 CB GLU A 54 5.364 -0.590 -8.899 1.00 0.00 C ATOM 860 CG GLU A 54 5.965 -1.926 -8.492 1.00 0.00 C ATOM 861 CD GLU A 54 7.184 -2.294 -9.316 1.00 0.00 C ATOM 862 OE1 GLU A 54 8.275 -1.752 -9.037 1.00 0.00 O ATOM 863 OE2 GLU A 54 7.048 -3.124 -10.238 1.00 0.00 O ATOM 0 H GLU A 54 4.124 2.003 -8.445 1.00 0.00 H new ATOM 0 HA GLU A 54 5.416 -0.071 -6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.341 -0.750 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.923 -0.192 -9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.241 -1.890 -7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.211 -2.706 -8.597 1.00 0.00 H new