USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 99:sc= 0.902 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0588 K(o=-0.059,f=-0.69) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 143:sc= -0.289 (180deg=-2.49!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 7.091 6.469 -5.543 1.00 12.22 N ATOM 72 CA ASP A 5 6.574 7.833 -5.531 1.00 64.01 C ATOM 73 C ASP A 5 5.550 8.017 -4.416 1.00 31.51 C ATOM 74 O ASP A 5 5.076 9.126 -4.170 1.00 41.42 O ATOM 75 CB ASP A 5 5.943 8.173 -6.882 1.00 12.51 C ATOM 76 CG ASP A 5 4.891 7.165 -7.300 1.00 63.41 C ATOM 77 OD1 ASP A 5 3.997 6.865 -6.481 1.00 51.12 O ATOM 78 OD2 ASP A 5 4.962 6.675 -8.447 1.00 2.14 O ATOM 0 HA ASP A 5 7.408 8.510 -5.348 1.00 64.01 H new ATOM 0 HB2 ASP A 5 5.492 9.164 -6.830 1.00 12.51 H new ATOM 0 HB3 ASP A 5 6.722 8.217 -7.643 1.00 12.51 H new ATOM 83 N HIS A 6 5.211 6.921 -3.744 1.00 22.30 N ATOM 84 CA HIS A 6 4.242 6.961 -2.655 1.00 20.33 C ATOM 85 C HIS A 6 4.911 7.374 -1.347 1.00 61.41 C ATOM 86 O HIS A 6 4.280 7.977 -0.480 1.00 24.25 O ATOM 87 CB HIS A 6 3.572 5.596 -2.490 1.00 0.34 C ATOM 88 CG HIS A 6 2.242 5.661 -1.804 1.00 50.21 C ATOM 89 ND1 HIS A 6 1.178 6.388 -2.294 1.00 15.32 N ATOM 90 CD2 HIS A 6 1.806 5.083 -0.661 1.00 22.24 C ATOM 91 CE1 HIS A 6 0.145 6.256 -1.480 1.00 62.33 C ATOM 92 NE2 HIS A 6 0.500 5.468 -0.481 1.00 63.14 N ATOM 0 H HIS A 6 5.593 5.995 -3.935 1.00 22.30 H new ATOM 0 HA HIS A 6 3.483 7.702 -2.904 1.00 20.33 H new ATOM 0 HB2 HIS A 6 3.443 5.143 -3.473 1.00 0.34 H new ATOM 0 HB3 HIS A 6 4.233 4.942 -1.922 1.00 0.34 H new ATOM 0 HD2 HIS A 6 2.379 4.438 -0.011 1.00 22.24 H new ATOM 0 HE1 HIS A 6 -0.824 6.714 -1.610 1.00 62.33 H new ATOM 0 HE2 HIS A 6 -0.098 5.191 0.297 1.00 63.14 H new ATOM 100 N ALA A 7 6.192 7.044 -1.213 1.00 75.23 N ATOM 101 CA ALA A 7 6.946 7.381 -0.013 1.00 11.44 C ATOM 102 C ALA A 7 7.282 8.868 0.025 1.00 51.45 C ATOM 103 O ALA A 7 7.329 9.477 1.094 1.00 44.14 O ATOM 104 CB ALA A 7 8.217 6.549 0.063 1.00 22.04 C ATOM 0 H ALA A 7 6.729 6.543 -1.921 1.00 75.23 H new ATOM 0 HA ALA A 7 6.324 7.154 0.853 1.00 11.44 H new ATOM 0 HB1 ALA A 7 8.770 6.811 0.965 1.00 22.04 H new ATOM 0 HB2 ALA A 7 7.958 5.491 0.091 1.00 22.04 H new ATOM 0 HB3 ALA A 7 8.835 6.748 -0.813 1.00 22.04 H new ATOM 110 N ARG A 8 7.515 9.447 -1.149 1.00 10.21 N ATOM 111 CA ARG A 8 7.849 10.863 -1.250 1.00 33.23 C ATOM 112 C ARG A 8 6.588 11.722 -1.215 1.00 43.32 C ATOM 113 O ARG A 8 6.627 12.883 -0.808 1.00 0.44 O ATOM 114 CB ARG A 8 8.629 11.134 -2.537 1.00 51.33 C ATOM 115 CG ARG A 8 7.933 10.626 -3.790 1.00 1.54 C ATOM 116 CD ARG A 8 8.045 11.624 -4.932 1.00 62.43 C ATOM 117 NE ARG A 8 8.239 10.961 -6.219 1.00 51.45 N ATOM 118 CZ ARG A 8 9.366 10.353 -6.570 1.00 61.45 C ATOM 119 NH1 ARG A 8 10.395 10.322 -5.735 1.00 31.03 N ATOM 120 NH2 ARG A 8 9.466 9.772 -7.760 1.00 12.44 N ATOM 0 H ARG A 8 7.479 8.957 -2.043 1.00 10.21 H new ATOM 0 HA ARG A 8 8.471 11.126 -0.395 1.00 33.23 H new ATOM 0 HB2 ARG A 8 8.794 12.207 -2.633 1.00 51.33 H new ATOM 0 HB3 ARG A 8 9.611 10.666 -2.462 1.00 51.33 H new ATOM 0 HG2 ARG A 8 8.372 9.675 -4.092 1.00 1.54 H new ATOM 0 HG3 ARG A 8 6.882 10.437 -3.572 1.00 1.54 H new ATOM 0 HD2 ARG A 8 7.143 12.234 -4.971 1.00 62.43 H new ATOM 0 HD3 ARG A 8 8.879 12.300 -4.743 1.00 62.43 H new ATOM 0 HE ARG A 8 7.466 10.965 -6.885 1.00 51.45 H new ATOM 0 HH11 ARG A 8 10.323 10.766 -4.820 1.00 31.03 H new ATOM 0 HH12 ARG A 8 11.259 9.854 -6.008 1.00 31.03 H new ATOM 0 HH21 ARG A 8 8.677 9.793 -8.406 1.00 12.44 H new ATOM 0 HH22 ARG A 8 10.332 9.305 -8.028 1.00 12.44 H new ATOM 134 N PHE A 9 5.472 11.144 -1.646 1.00 41.12 N ATOM 135 CA PHE A 9 4.200 11.857 -1.666 1.00 43.12 C ATOM 136 C PHE A 9 3.606 11.950 -0.264 1.00 25.44 C ATOM 137 O PHE A 9 3.029 12.970 0.113 1.00 52.45 O ATOM 138 CB PHE A 9 3.214 11.158 -2.605 1.00 3.44 C ATOM 139 CG PHE A 9 3.152 11.773 -3.974 1.00 20.41 C ATOM 140 CD1 PHE A 9 4.291 12.293 -4.567 1.00 22.42 C ATOM 141 CD2 PHE A 9 1.954 11.830 -4.668 1.00 1.31 C ATOM 142 CE1 PHE A 9 4.238 12.858 -5.827 1.00 15.21 C ATOM 143 CE2 PHE A 9 1.894 12.394 -5.928 1.00 44.23 C ATOM 144 CZ PHE A 9 3.037 12.910 -6.508 1.00 22.10 C ATOM 0 H PHE A 9 5.422 10.184 -1.986 1.00 41.12 H new ATOM 0 HA PHE A 9 4.384 12.868 -2.031 1.00 43.12 H new ATOM 0 HB2 PHE A 9 3.495 10.109 -2.699 1.00 3.44 H new ATOM 0 HB3 PHE A 9 2.220 11.183 -2.159 1.00 3.44 H new ATOM 0 HD1 PHE A 9 5.232 12.256 -4.038 1.00 22.42 H new ATOM 0 HD2 PHE A 9 1.057 11.429 -4.219 1.00 1.31 H new ATOM 0 HE1 PHE A 9 5.134 13.258 -6.279 1.00 15.21 H new ATOM 0 HE2 PHE A 9 0.954 12.431 -6.459 1.00 44.23 H new ATOM 0 HZ PHE A 9 2.992 13.353 -7.492 1.00 22.10 H new ATOM 154 N LEU A 10 3.752 10.876 0.506 1.00 41.43 N ATOM 155 CA LEU A 10 3.230 10.835 1.867 1.00 22.43 C ATOM 156 C LEU A 10 4.170 11.550 2.833 1.00 55.32 C ATOM 157 O LEU A 10 3.735 12.368 3.644 1.00 64.32 O ATOM 158 CB LEU A 10 3.029 9.385 2.313 1.00 5.23 C ATOM 159 CG LEU A 10 1.735 9.089 3.071 1.00 54.23 C ATOM 160 CD1 LEU A 10 0.925 8.023 2.348 1.00 4.33 C ATOM 161 CD2 LEU A 10 2.038 8.655 4.497 1.00 3.33 C ATOM 0 H LEU A 10 4.227 10.023 0.211 1.00 41.43 H new ATOM 0 HA LEU A 10 2.269 11.349 1.877 1.00 22.43 H new ATOM 0 HB2 LEU A 10 3.064 8.746 1.430 1.00 5.23 H new ATOM 0 HB3 LEU A 10 3.870 9.101 2.945 1.00 5.23 H new ATOM 0 HG LEU A 10 1.143 10.003 3.110 1.00 54.23 H new ATOM 0 HD11 LEU A 10 0.007 7.825 2.902 1.00 4.33 H new ATOM 0 HD12 LEU A 10 0.676 8.373 1.346 1.00 4.33 H new ATOM 0 HD13 LEU A 10 1.511 7.107 2.277 1.00 4.33 H new ATOM 0 HD21 LEU A 10 1.105 8.449 5.021 1.00 3.33 H new ATOM 0 HD22 LEU A 10 2.652 7.754 4.481 1.00 3.33 H new ATOM 0 HD23 LEU A 10 2.575 9.451 5.013 1.00 3.33 H new ATOM 173 N GLN A 11 5.458 11.238 2.737 1.00 10.33 N ATOM 174 CA GLN A 11 6.458 11.853 3.602 1.00 44.25 C ATOM 175 C GLN A 11 6.456 13.370 3.444 1.00 52.23 C ATOM 176 O GLN A 11 6.413 14.108 4.429 1.00 44.12 O ATOM 177 CB GLN A 11 7.848 11.298 3.284 1.00 31.00 C ATOM 178 CG GLN A 11 8.918 11.734 4.272 1.00 12.20 C ATOM 179 CD GLN A 11 10.219 10.977 4.095 1.00 30.45 C ATOM 180 OE1 GLN A 11 10.756 10.890 2.991 1.00 55.45 O ATOM 181 NE2 GLN A 11 10.734 10.422 5.187 1.00 43.35 N ATOM 0 H GLN A 11 5.834 10.564 2.070 1.00 10.33 H new ATOM 0 HA GLN A 11 6.205 11.613 4.635 1.00 44.25 H new ATOM 0 HB2 GLN A 11 7.801 10.209 3.269 1.00 31.00 H new ATOM 0 HB3 GLN A 11 8.138 11.618 2.283 1.00 31.00 H new ATOM 0 HG2 GLN A 11 9.104 12.801 4.153 1.00 12.20 H new ATOM 0 HG3 GLN A 11 8.551 11.586 5.288 1.00 12.20 H new ATOM 0 HE21 GLN A 11 10.255 10.519 6.083 1.00 43.35 H new ATOM 0 HE22 GLN A 11 11.608 9.899 5.130 1.00 43.35 H new ATOM 190 N THR A 12 6.502 13.831 2.197 1.00 32.34 N ATOM 191 CA THR A 12 6.506 15.260 1.910 1.00 23.52 C ATOM 192 C THR A 12 5.252 15.934 2.454 1.00 21.35 C ATOM 193 O THR A 12 5.335 16.893 3.220 1.00 15.34 O ATOM 194 CB THR A 12 6.604 15.528 0.397 1.00 40.14 C ATOM 195 OG1 THR A 12 7.899 15.152 -0.085 1.00 71.41 O ATOM 196 CG2 THR A 12 6.350 16.996 0.090 1.00 5.30 C ATOM 0 H THR A 12 6.537 13.235 1.370 1.00 32.34 H new ATOM 0 HA THR A 12 7.383 15.679 2.404 1.00 23.52 H new ATOM 0 HB THR A 12 5.843 14.931 -0.105 1.00 40.14 H new ATOM 0 HG1 THR A 12 7.851 14.262 -0.493 1.00 71.41 H new ATOM 0 HG21 THR A 12 6.425 17.161 -0.985 1.00 5.30 H new ATOM 0 HG22 THR A 12 5.352 17.272 0.431 1.00 5.30 H new ATOM 0 HG23 THR A 12 7.091 17.609 0.603 1.00 5.30 H new ATOM 204 N ALA A 13 4.091 15.425 2.054 1.00 24.24 N ATOM 205 CA ALA A 13 2.820 15.977 2.505 1.00 74.43 C ATOM 206 C ALA A 13 2.759 16.045 4.027 1.00 70.21 C ATOM 207 O ALA A 13 2.450 17.090 4.600 1.00 21.43 O ATOM 208 CB ALA A 13 1.664 15.147 1.965 1.00 12.12 C ATOM 0 H ALA A 13 4.005 14.632 1.419 1.00 24.24 H new ATOM 0 HA ALA A 13 2.736 16.993 2.119 1.00 74.43 H new ATOM 0 HB1 ALA A 13 0.720 15.570 2.309 1.00 12.12 H new ATOM 0 HB2 ALA A 13 1.689 15.154 0.875 1.00 12.12 H new ATOM 0 HB3 ALA A 13 1.754 14.121 2.323 1.00 12.12 H new ATOM 214 N LYS A 14 3.055 14.924 4.677 1.00 50.41 N ATOM 215 CA LYS A 14 3.035 14.856 6.133 1.00 10.13 C ATOM 216 C LYS A 14 4.046 15.826 6.737 1.00 33.34 C ATOM 217 O LYS A 14 3.736 16.550 7.682 1.00 4.31 O ATOM 218 CB LYS A 14 3.337 13.431 6.602 1.00 73.33 C ATOM 219 CG LYS A 14 2.116 12.527 6.624 1.00 64.42 C ATOM 220 CD LYS A 14 1.287 12.740 7.879 1.00 23.42 C ATOM 221 CE LYS A 14 1.466 11.596 8.866 1.00 73.33 C ATOM 222 NZ LYS A 14 0.467 10.513 8.646 1.00 1.11 N ATOM 0 H LYS A 14 3.312 14.050 4.218 1.00 50.41 H new ATOM 0 HA LYS A 14 2.038 15.140 6.471 1.00 10.13 H new ATOM 0 HB2 LYS A 14 4.091 12.994 5.947 1.00 73.33 H new ATOM 0 HB3 LYS A 14 3.768 13.470 7.602 1.00 73.33 H new ATOM 0 HG2 LYS A 14 1.502 12.721 5.744 1.00 64.42 H new ATOM 0 HG3 LYS A 14 2.432 11.485 6.568 1.00 64.42 H new ATOM 0 HD2 LYS A 14 1.576 13.679 8.352 1.00 23.42 H new ATOM 0 HD3 LYS A 14 0.234 12.829 7.610 1.00 23.42 H new ATOM 0 HE2 LYS A 14 2.472 11.187 8.770 1.00 73.33 H new ATOM 0 HE3 LYS A 14 1.372 11.976 9.883 1.00 73.33 H new ATOM 0 HZ1 LYS A 14 0.622 9.752 9.338 1.00 1.11 H new ATOM 0 HZ2 LYS A 14 -0.493 10.897 8.762 1.00 1.11 H new ATOM 0 HZ3 LYS A 14 0.573 10.133 7.684 1.00 1.11 H new ATOM 236 N ASN A 15 5.254 15.834 6.184 1.00 3.25 N ATOM 237 CA ASN A 15 6.310 16.716 6.669 1.00 62.02 C ATOM 238 C ASN A 15 5.874 18.176 6.598 1.00 44.41 C ATOM 239 O ASN A 15 6.239 18.985 7.452 1.00 51.33 O ATOM 240 CB ASN A 15 7.588 16.513 5.851 1.00 14.04 C ATOM 241 CG ASN A 15 8.758 17.304 6.403 1.00 64.23 C ATOM 242 OD1 ASN A 15 9.352 16.931 7.414 1.00 23.24 O ATOM 243 ND2 ASN A 15 9.095 18.403 5.738 1.00 63.23 N ATOM 0 H ASN A 15 5.526 15.240 5.400 1.00 3.25 H new ATOM 0 HA ASN A 15 6.509 16.465 7.711 1.00 62.02 H new ATOM 0 HB2 ASN A 15 7.843 15.453 5.837 1.00 14.04 H new ATOM 0 HB3 ASN A 15 7.406 16.810 4.818 1.00 14.04 H new ATOM 0 HD21 ASN A 15 9.875 18.976 6.061 1.00 63.23 H new ATOM 0 HD22 ASN A 15 8.574 18.674 4.904 1.00 63.23 H new ATOM 250 N ILE A 16 5.092 18.506 5.575 1.00 24.34 N ATOM 251 CA ILE A 16 4.606 19.868 5.394 1.00 33.34 C ATOM 252 C ILE A 16 3.760 20.312 6.583 1.00 73.31 C ATOM 253 O ILE A 16 3.963 21.394 7.135 1.00 74.24 O ATOM 254 CB ILE A 16 3.772 20.001 4.107 1.00 74.14 C ATOM 255 CG1 ILE A 16 4.660 19.811 2.876 1.00 61.25 C ATOM 256 CG2 ILE A 16 3.078 21.354 4.062 1.00 3.42 C ATOM 257 CD1 ILE A 16 3.934 19.207 1.694 1.00 50.33 C ATOM 0 H ILE A 16 4.782 17.849 4.859 1.00 24.34 H new ATOM 0 HA ILE A 16 5.484 20.509 5.316 1.00 33.34 H new ATOM 0 HB ILE A 16 3.009 19.223 4.105 1.00 74.14 H new ATOM 0 HG12 ILE A 16 5.073 20.776 2.584 1.00 61.25 H new ATOM 0 HG13 ILE A 16 5.502 19.171 3.141 1.00 61.25 H new ATOM 0 HG21 ILE A 16 2.492 21.432 3.146 1.00 3.42 H new ATOM 0 HG22 ILE A 16 2.418 21.453 4.924 1.00 3.42 H new ATOM 0 HG23 ILE A 16 3.825 22.147 4.084 1.00 3.42 H new ATOM 0 HD11 ILE A 16 4.625 19.101 0.858 1.00 50.33 H new ATOM 0 HD12 ILE A 16 3.544 18.227 1.969 1.00 50.33 H new ATOM 0 HD13 ILE A 16 3.109 19.857 1.403 1.00 50.33 H new ATOM 269 N THR A 17 2.810 19.468 6.975 1.00 61.43 N ATOM 270 CA THR A 17 1.933 19.772 8.098 1.00 22.13 C ATOM 271 C THR A 17 2.608 19.446 9.426 1.00 13.30 C ATOM 272 O THR A 17 2.199 19.939 10.477 1.00 43.32 O ATOM 273 CB THR A 17 0.608 18.992 8.004 1.00 41.41 C ATOM 274 OG1 THR A 17 0.352 18.624 6.644 1.00 50.51 O ATOM 275 CG2 THR A 17 -0.549 19.825 8.536 1.00 64.03 C ATOM 0 H THR A 17 2.629 18.568 6.530 1.00 61.43 H new ATOM 0 HA THR A 17 1.721 20.840 8.053 1.00 22.13 H new ATOM 0 HB THR A 17 0.697 18.092 8.613 1.00 41.41 H new ATOM 0 HG1 THR A 17 -0.491 18.127 6.593 1.00 50.51 H new ATOM 0 HG21 THR A 17 -1.474 19.254 8.459 1.00 64.03 H new ATOM 0 HG22 THR A 17 -0.365 20.079 9.580 1.00 64.03 H new ATOM 0 HG23 THR A 17 -0.638 20.740 7.950 1.00 64.03 H new ATOM 283 N GLU A 18 3.643 18.614 9.370 1.00 35.44 N ATOM 284 CA GLU A 18 4.373 18.223 10.570 1.00 21.23 C ATOM 285 C GLU A 18 5.355 19.314 10.989 1.00 35.32 C ATOM 286 O GLU A 18 5.547 19.567 12.179 1.00 54.35 O ATOM 287 CB GLU A 18 5.123 16.910 10.333 1.00 41.50 C ATOM 288 CG GLU A 18 5.719 16.313 11.597 1.00 60.15 C ATOM 289 CD GLU A 18 6.666 15.164 11.308 1.00 0.22 C ATOM 290 OE1 GLU A 18 7.359 14.718 12.246 1.00 4.13 O ATOM 291 OE2 GLU A 18 6.714 14.712 10.145 1.00 21.24 O ATOM 0 H GLU A 18 3.995 18.198 8.508 1.00 35.44 H new ATOM 0 HA GLU A 18 3.650 18.080 11.373 1.00 21.23 H new ATOM 0 HB2 GLU A 18 4.440 16.187 9.887 1.00 41.50 H new ATOM 0 HB3 GLU A 18 5.921 17.082 9.611 1.00 41.50 H new ATOM 0 HG2 GLU A 18 6.252 17.090 12.145 1.00 60.15 H new ATOM 0 HG3 GLU A 18 4.914 15.962 12.243 1.00 60.15 H new ATOM 298 N ARG A 19 5.973 19.955 10.003 1.00 2.13 N ATOM 299 CA ARG A 19 6.936 21.017 10.269 1.00 41.24 C ATOM 300 C ARG A 19 6.238 22.262 10.808 1.00 55.13 C ATOM 301 O ARG A 19 6.685 22.865 11.783 1.00 23.24 O ATOM 302 CB ARG A 19 7.709 21.364 8.995 1.00 53.23 C ATOM 303 CG ARG A 19 9.110 21.891 9.257 1.00 40.32 C ATOM 304 CD ARG A 19 9.341 23.227 8.567 1.00 32.04 C ATOM 305 NE ARG A 19 10.545 23.894 9.055 1.00 63.43 N ATOM 306 CZ ARG A 19 11.777 23.486 8.770 1.00 41.11 C ATOM 307 NH1 ARG A 19 11.966 22.420 8.004 1.00 11.23 N ATOM 308 NH2 ARG A 19 12.823 24.145 9.251 1.00 43.50 N ATOM 0 H ARG A 19 5.824 19.758 9.013 1.00 2.13 H new ATOM 0 HA ARG A 19 7.635 20.658 11.024 1.00 41.24 H new ATOM 0 HB2 ARG A 19 7.776 20.475 8.367 1.00 53.23 H new ATOM 0 HB3 ARG A 19 7.149 22.110 8.432 1.00 53.23 H new ATOM 0 HG2 ARG A 19 9.263 22.003 10.330 1.00 40.32 H new ATOM 0 HG3 ARG A 19 9.844 21.167 8.905 1.00 40.32 H new ATOM 0 HD2 ARG A 19 9.424 23.070 7.492 1.00 32.04 H new ATOM 0 HD3 ARG A 19 8.478 23.873 8.729 1.00 32.04 H new ATOM 0 HE ARG A 19 10.434 24.718 9.647 1.00 63.43 H new ATOM 0 HH11 ARG A 19 11.164 21.911 7.632 1.00 11.23 H new ATOM 0 HH12 ARG A 19 12.913 22.109 7.787 1.00 11.23 H new ATOM 0 HH21 ARG A 19 12.682 24.966 9.840 1.00 43.50 H new ATOM 0 HH22 ARG A 19 13.768 23.831 9.032 1.00 43.50 H new ATOM 322 N VAL A 20 5.138 22.642 10.165 1.00 13.32 N ATOM 323 CA VAL A 20 4.377 23.815 10.580 1.00 73.21 C ATOM 324 C VAL A 20 3.955 23.708 12.041 1.00 24.22 C ATOM 325 O VAL A 20 4.080 24.665 12.806 1.00 62.45 O ATOM 326 CB VAL A 20 3.122 24.007 9.708 1.00 73.41 C ATOM 327 CG1 VAL A 20 2.281 22.739 9.695 1.00 23.20 C ATOM 328 CG2 VAL A 20 2.306 25.192 10.202 1.00 20.33 C ATOM 0 H VAL A 20 4.754 22.155 9.355 1.00 13.32 H new ATOM 0 HA VAL A 20 5.032 24.677 10.456 1.00 73.21 H new ATOM 0 HB VAL A 20 3.440 24.214 8.686 1.00 73.41 H new ATOM 0 HG11 VAL A 20 1.399 22.894 9.074 1.00 23.20 H new ATOM 0 HG12 VAL A 20 2.870 21.916 9.290 1.00 23.20 H new ATOM 0 HG13 VAL A 20 1.971 22.498 10.712 1.00 23.20 H new ATOM 0 HG21 VAL A 20 1.423 25.313 9.574 1.00 20.33 H new ATOM 0 HG22 VAL A 20 1.997 25.017 11.233 1.00 20.33 H new ATOM 0 HG23 VAL A 20 2.912 26.097 10.154 1.00 20.33 H new ATOM 338 N SER A 21 3.456 22.537 12.423 1.00 22.32 N ATOM 339 CA SER A 21 3.013 22.305 13.793 1.00 71.11 C ATOM 340 C SER A 21 4.153 22.538 14.780 1.00 70.34 C ATOM 341 O SER A 21 4.039 23.352 15.695 1.00 3.11 O ATOM 342 CB SER A 21 2.476 20.880 13.943 1.00 11.34 C ATOM 343 OG SER A 21 1.421 20.830 14.888 1.00 0.14 O ATOM 0 H SER A 21 3.348 21.734 11.803 1.00 22.32 H new ATOM 0 HA SER A 21 2.214 23.012 14.015 1.00 71.11 H new ATOM 0 HB2 SER A 21 2.122 20.518 12.978 1.00 11.34 H new ATOM 0 HB3 SER A 21 3.281 20.216 14.256 1.00 11.34 H new ATOM 0 HG SER A 21 1.094 19.909 14.965 1.00 0.14 H new ATOM 349 N MET A 22 5.252 21.816 14.585 1.00 32.34 N ATOM 350 CA MET A 22 6.414 21.944 15.457 1.00 32.21 C ATOM 351 C MET A 22 6.930 23.379 15.467 1.00 3.12 C ATOM 352 O MET A 22 7.422 23.864 16.486 1.00 50.45 O ATOM 353 CB MET A 22 7.524 20.993 15.006 1.00 41.15 C ATOM 354 CG MET A 22 8.627 20.813 16.036 1.00 12.33 C ATOM 355 SD MET A 22 9.891 19.643 15.504 1.00 31.22 S ATOM 356 CE MET A 22 10.950 20.709 14.529 1.00 22.54 C ATOM 0 H MET A 22 5.362 21.137 13.832 1.00 32.34 H new ATOM 0 HA MET A 22 6.109 21.680 16.469 1.00 32.21 H new ATOM 0 HB2 MET A 22 7.088 20.020 14.779 1.00 41.15 H new ATOM 0 HB3 MET A 22 7.960 21.370 14.081 1.00 41.15 H new ATOM 0 HG2 MET A 22 9.092 21.778 16.237 1.00 12.33 H new ATOM 0 HG3 MET A 22 8.190 20.469 16.974 1.00 12.33 H new ATOM 0 HE1 MET A 22 11.782 20.129 14.130 1.00 22.54 H new ATOM 0 HE2 MET A 22 10.377 21.136 13.706 1.00 22.54 H new ATOM 0 HE3 MET A 22 11.336 21.512 15.157 1.00 22.54 H new ATOM 366 N ALA A 23 6.815 24.053 14.327 1.00 24.43 N ATOM 367 CA ALA A 23 7.269 25.432 14.206 1.00 2.52 C ATOM 368 C ALA A 23 6.391 26.373 15.024 1.00 13.02 C ATOM 369 O ALA A 23 6.869 27.055 15.932 1.00 72.25 O ATOM 370 CB ALA A 23 7.283 25.857 12.745 1.00 2.23 C ATOM 0 H ALA A 23 6.411 23.666 13.474 1.00 24.43 H new ATOM 0 HA ALA A 23 8.284 25.490 14.600 1.00 2.52 H new ATOM 0 HB1 ALA A 23 7.624 26.889 12.670 1.00 2.23 H new ATOM 0 HB2 ALA A 23 7.958 25.210 12.184 1.00 2.23 H new ATOM 0 HB3 ALA A 23 6.277 25.776 12.333 1.00 2.23 H new ATOM 376 N THR A 24 5.102 26.406 14.697 1.00 4.33 N ATOM 377 CA THR A 24 4.157 27.265 15.400 1.00 24.43 C ATOM 378 C THR A 24 4.201 27.015 16.904 1.00 41.15 C ATOM 379 O THR A 24 4.196 27.954 17.698 1.00 11.45 O ATOM 380 CB THR A 24 2.718 27.046 14.897 1.00 42.43 C ATOM 381 OG1 THR A 24 2.728 26.759 13.494 1.00 43.21 O ATOM 382 CG2 THR A 24 1.860 28.274 15.162 1.00 1.20 C ATOM 0 H THR A 24 4.689 25.848 13.950 1.00 4.33 H new ATOM 0 HA THR A 24 4.453 28.294 15.196 1.00 24.43 H new ATOM 0 HB THR A 24 2.292 26.201 15.437 1.00 42.43 H new ATOM 0 HG1 THR A 24 2.893 25.803 13.357 1.00 43.21 H new ATOM 0 HG21 THR A 24 0.848 28.096 14.798 1.00 1.20 H new ATOM 0 HG22 THR A 24 1.831 28.473 16.233 1.00 1.20 H new ATOM 0 HG23 THR A 24 2.286 29.134 14.645 1.00 1.20 H new ATOM 390 N ALA A 25 4.245 25.743 17.286 1.00 13.25 N ATOM 391 CA ALA A 25 4.292 25.371 18.695 1.00 61.21 C ATOM 392 C ALA A 25 5.594 25.832 19.341 1.00 11.12 C ATOM 393 O ALA A 25 5.582 26.584 20.316 1.00 52.34 O ATOM 394 CB ALA A 25 4.129 23.866 18.849 1.00 74.14 C ATOM 0 H ALA A 25 4.249 24.953 16.640 1.00 13.25 H new ATOM 0 HA ALA A 25 3.467 25.869 19.205 1.00 61.21 H new ATOM 0 HB1 ALA A 25 4.166 23.602 19.906 1.00 74.14 H new ATOM 0 HB2 ALA A 25 3.170 23.559 18.432 1.00 74.14 H new ATOM 0 HB3 ALA A 25 4.934 23.357 18.320 1.00 74.14 H new ATOM 400 N SER A 26 6.716 25.376 18.793 1.00 34.10 N ATOM 401 CA SER A 26 8.026 25.739 19.319 1.00 22.44 C ATOM 402 C SER A 26 8.197 27.254 19.355 1.00 12.33 C ATOM 403 O SER A 26 8.922 27.789 20.194 1.00 32.34 O ATOM 404 CB SER A 26 9.132 25.109 18.470 1.00 3.51 C ATOM 405 OG SER A 26 10.409 25.583 18.863 1.00 53.31 O ATOM 0 H SER A 26 6.744 24.754 17.985 1.00 34.10 H new ATOM 0 HA SER A 26 8.099 25.359 20.338 1.00 22.44 H new ATOM 0 HB2 SER A 26 9.097 24.024 18.569 1.00 3.51 H new ATOM 0 HB3 SER A 26 8.963 25.339 17.418 1.00 3.51 H new ATOM 0 HG SER A 26 11.099 25.165 18.307 1.00 53.31 H new ATOM 411 N SER A 27 7.523 27.941 18.438 1.00 2.21 N ATOM 412 CA SER A 27 7.602 29.395 18.361 1.00 3.22 C ATOM 413 C SER A 27 7.093 30.036 19.649 1.00 72.24 C ATOM 414 O SER A 27 7.724 30.939 20.196 1.00 0.22 O ATOM 415 CB SER A 27 6.794 29.909 17.168 1.00 20.40 C ATOM 416 OG SER A 27 7.638 30.203 16.069 1.00 45.02 O ATOM 0 H SER A 27 6.916 27.514 17.738 1.00 2.21 H new ATOM 0 HA SER A 27 8.648 29.670 18.227 1.00 3.22 H new ATOM 0 HB2 SER A 27 6.057 29.161 16.875 1.00 20.40 H new ATOM 0 HB3 SER A 27 6.243 30.804 17.457 1.00 20.40 H new ATOM 0 HG SER A 27 7.097 30.528 15.319 1.00 45.02 H new ATOM 422 N GLN A 28 5.947 29.561 20.125 1.00 34.32 N ATOM 423 CA GLN A 28 5.351 30.087 21.348 1.00 43.34 C ATOM 424 C GLN A 28 5.106 28.972 22.358 1.00 75.51 C ATOM 425 O GLN A 28 5.843 28.829 23.333 1.00 1.53 O ATOM 426 CB GLN A 28 4.038 30.804 21.032 1.00 15.53 C ATOM 427 CG GLN A 28 4.221 32.254 20.612 1.00 22.21 C ATOM 428 CD GLN A 28 4.055 33.222 21.767 1.00 73.22 C ATOM 429 OE1 GLN A 28 2.941 33.466 22.232 1.00 70.12 O ATOM 430 NE2 GLN A 28 5.164 33.780 22.237 1.00 64.52 N ATOM 0 H GLN A 28 5.412 28.813 19.683 1.00 34.32 H new ATOM 0 HA GLN A 28 6.050 30.800 21.786 1.00 43.34 H new ATOM 0 HB2 GLN A 28 3.523 30.266 20.236 1.00 15.53 H new ATOM 0 HB3 GLN A 28 3.394 30.768 21.910 1.00 15.53 H new ATOM 0 HG2 GLN A 28 5.213 32.380 20.177 1.00 22.21 H new ATOM 0 HG3 GLN A 28 3.498 32.497 19.833 1.00 22.21 H new ATOM 0 HE21 GLN A 28 6.067 33.549 21.822 1.00 64.52 H new ATOM 0 HE22 GLN A 28 5.114 34.440 23.013 1.00 64.52 H new ATOM 439 N VAL A 29 4.064 28.182 22.118 1.00 34.31 N ATOM 440 CA VAL A 29 3.721 27.078 23.007 1.00 73.35 C ATOM 441 C VAL A 29 2.498 26.322 22.498 1.00 51.41 C ATOM 442 O VAL A 29 2.376 25.112 22.694 1.00 51.41 O ATOM 443 CB VAL A 29 3.445 27.574 24.438 1.00 12.32 C ATOM 444 CG1 VAL A 29 2.389 28.669 24.430 1.00 73.14 C ATOM 445 CG2 VAL A 29 3.019 26.418 25.330 1.00 73.11 C ATOM 0 H VAL A 29 3.443 28.286 21.316 1.00 34.31 H new ATOM 0 HA VAL A 29 4.579 26.406 23.023 1.00 73.35 H new ATOM 0 HB VAL A 29 4.366 27.994 24.842 1.00 12.32 H new ATOM 0 HG11 VAL A 29 2.207 29.007 25.450 1.00 73.14 H new ATOM 0 HG12 VAL A 29 2.738 29.507 23.827 1.00 73.14 H new ATOM 0 HG13 VAL A 29 1.463 28.279 24.007 1.00 73.14 H new ATOM 0 HG21 VAL A 29 2.828 26.787 26.338 1.00 73.11 H new ATOM 0 HG22 VAL A 29 2.111 25.966 24.931 1.00 73.11 H new ATOM 0 HG23 VAL A 29 3.812 25.671 25.361 1.00 73.11 H new ATOM 455 N LEU A 30 1.594 27.043 21.843 1.00 3.33 N ATOM 456 CA LEU A 30 0.379 26.441 21.305 1.00 45.42 C ATOM 457 C LEU A 30 -0.550 25.992 22.428 1.00 43.10 C ATOM 458 O LEU A 30 -0.524 24.833 22.841 1.00 30.54 O ATOM 459 CB LEU A 30 0.730 25.251 20.410 1.00 32.14 C ATOM 460 CG LEU A 30 -0.252 24.951 19.277 1.00 41.21 C ATOM 461 CD1 LEU A 30 0.331 25.379 17.939 1.00 12.40 C ATOM 462 CD2 LEU A 30 -0.608 23.472 19.257 1.00 62.11 C ATOM 0 H LEU A 30 1.680 28.045 21.672 1.00 3.33 H new ATOM 0 HA LEU A 30 -0.139 27.194 20.711 1.00 45.42 H new ATOM 0 HB2 LEU A 30 1.714 25.427 19.974 1.00 32.14 H new ATOM 0 HB3 LEU A 30 0.813 24.363 21.036 1.00 32.14 H new ATOM 0 HG LEU A 30 -1.164 25.521 19.452 1.00 41.21 H new ATOM 0 HD11 LEU A 30 -0.381 25.158 17.144 1.00 12.40 H new ATOM 0 HD12 LEU A 30 0.534 26.450 17.957 1.00 12.40 H new ATOM 0 HD13 LEU A 30 1.259 24.836 17.756 1.00 12.40 H new ATOM 0 HD21 LEU A 30 -1.308 23.277 18.444 1.00 62.11 H new ATOM 0 HD22 LEU A 30 0.296 22.882 19.107 1.00 62.11 H new ATOM 0 HD23 LEU A 30 -1.068 23.196 20.206 1.00 62.11 H new ATOM 474 N ILE A 31 -1.370 26.917 22.916 1.00 71.35 N ATOM 475 CA ILE A 31 -2.310 26.614 23.988 1.00 4.42 C ATOM 476 C ILE A 31 -3.631 27.347 23.784 1.00 73.12 C ATOM 477 O ILE A 31 -3.693 28.403 23.154 1.00 14.35 O ATOM 478 CB ILE A 31 -1.733 26.994 25.365 1.00 30.50 C ATOM 479 CG1 ILE A 31 -1.333 28.470 25.386 1.00 42.24 C ATOM 480 CG2 ILE A 31 -0.540 26.111 25.701 1.00 51.11 C ATOM 481 CD1 ILE A 31 -2.203 29.320 26.285 1.00 73.30 C ATOM 0 H ILE A 31 -1.402 27.882 22.586 1.00 71.35 H new ATOM 0 HA ILE A 31 -2.486 25.539 23.960 1.00 4.42 H new ATOM 0 HB ILE A 31 -2.502 26.836 26.121 1.00 30.50 H new ATOM 0 HG12 ILE A 31 -0.297 28.552 25.714 1.00 42.24 H new ATOM 0 HG13 ILE A 31 -1.379 28.865 24.371 1.00 42.24 H new ATOM 0 HG21 ILE A 31 -0.143 26.391 26.677 1.00 51.11 H new ATOM 0 HG22 ILE A 31 -0.854 25.068 25.723 1.00 51.11 H new ATOM 0 HG23 ILE A 31 0.233 26.241 24.944 1.00 51.11 H new ATOM 0 HD11 ILE A 31 -1.861 30.354 26.250 1.00 73.30 H new ATOM 0 HD12 ILE A 31 -3.237 29.268 25.945 1.00 73.30 H new ATOM 0 HD13 ILE A 31 -2.138 28.951 27.309 1.00 73.30 H new ATOM 493 N PRO A 32 -4.715 26.775 24.329 1.00 11.24 N ATOM 494 CA PRO A 32 -6.056 27.358 24.223 1.00 60.04 C ATOM 495 C PRO A 32 -6.199 28.637 25.040 1.00 42.53 C ATOM 496 O PRO A 32 -6.325 28.592 26.263 1.00 50.01 O ATOM 497 CB PRO A 32 -6.965 26.261 24.783 1.00 10.31 C ATOM 498 CG PRO A 32 -6.091 25.476 25.698 1.00 22.35 C ATOM 499 CD PRO A 32 -4.715 25.516 25.093 1.00 1.21 C ATOM 0 HA PRO A 32 -6.295 27.647 23.200 1.00 60.04 H new ATOM 0 HB2 PRO A 32 -7.816 26.686 25.316 1.00 10.31 H new ATOM 0 HB3 PRO A 32 -7.368 25.635 23.986 1.00 10.31 H new ATOM 0 HG2 PRO A 32 -6.089 25.906 26.700 1.00 22.35 H new ATOM 0 HG3 PRO A 32 -6.446 24.450 25.792 1.00 22.35 H new ATOM 0 HD2 PRO A 32 -3.939 25.510 25.859 1.00 1.21 H new ATOM 0 HD3 PRO A 32 -4.534 24.655 24.449 1.00 1.21 H new ATOM 507 N GLU A 33 -6.178 29.777 24.355 1.00 33.12 N ATOM 508 CA GLU A 33 -6.305 31.069 25.019 1.00 33.35 C ATOM 509 C GLU A 33 -7.662 31.701 24.725 1.00 54.15 C ATOM 510 O GLU A 33 -8.549 31.719 25.578 1.00 34.55 O ATOM 511 CB GLU A 33 -5.184 32.009 24.573 1.00 52.33 C ATOM 512 CG GLU A 33 -4.094 32.194 25.614 1.00 4.44 C ATOM 513 CD GLU A 33 -4.153 33.553 26.286 1.00 64.23 C ATOM 514 OE1 GLU A 33 -4.801 33.662 27.347 1.00 31.55 O ATOM 515 OE2 GLU A 33 -3.551 34.507 25.750 1.00 60.33 O ATOM 0 H GLU A 33 -6.074 29.832 23.342 1.00 33.12 H new ATOM 0 HA GLU A 33 -6.226 30.906 26.094 1.00 33.35 H new ATOM 0 HB2 GLU A 33 -4.738 31.620 23.658 1.00 52.33 H new ATOM 0 HB3 GLU A 33 -5.612 32.982 24.331 1.00 52.33 H new ATOM 0 HG2 GLU A 33 -4.183 31.415 26.371 1.00 4.44 H new ATOM 0 HG3 GLU A 33 -3.120 32.069 25.141 1.00 4.44 H new ATOM 522 N ILE A 34 -7.816 32.220 23.511 1.00 64.52 N ATOM 523 CA ILE A 34 -9.064 32.852 23.103 1.00 42.31 C ATOM 524 C ILE A 34 -9.000 33.307 21.649 1.00 41.22 C ATOM 525 O ILE A 34 -9.980 33.204 20.912 1.00 3.02 O ATOM 526 CB ILE A 34 -9.398 34.063 23.994 1.00 54.23 C ATOM 527 CG1 ILE A 34 -10.688 34.734 23.516 1.00 0.33 C ATOM 528 CG2 ILE A 34 -8.246 35.056 23.992 1.00 11.51 C ATOM 529 CD1 ILE A 34 -11.093 35.928 24.352 1.00 11.12 C ATOM 0 H ILE A 34 -7.091 32.215 22.793 1.00 64.52 H new ATOM 0 HA ILE A 34 -9.848 32.103 23.212 1.00 42.31 H new ATOM 0 HB ILE A 34 -9.549 33.714 25.016 1.00 54.23 H new ATOM 0 HG12 ILE A 34 -10.561 35.051 22.481 1.00 0.33 H new ATOM 0 HG13 ILE A 34 -11.495 34.002 23.528 1.00 0.33 H new ATOM 0 HG21 ILE A 34 -8.497 35.906 24.626 1.00 11.51 H new ATOM 0 HG22 ILE A 34 -7.347 34.572 24.374 1.00 11.51 H new ATOM 0 HG23 ILE A 34 -8.066 35.403 22.974 1.00 11.51 H new ATOM 0 HD11 ILE A 34 -12.015 36.353 23.956 1.00 11.12 H new ATOM 0 HD12 ILE A 34 -11.252 35.613 25.383 1.00 11.12 H new ATOM 0 HD13 ILE A 34 -10.304 36.679 24.320 1.00 11.12 H new ATOM 541 N ASN A 35 -7.839 33.809 21.242 1.00 4.41 N ATOM 542 CA ASN A 35 -7.646 34.279 19.875 1.00 41.21 C ATOM 543 C ASN A 35 -6.418 33.629 19.244 1.00 35.31 C ATOM 544 O ASN A 35 -5.686 34.265 18.485 1.00 21.22 O ATOM 545 CB ASN A 35 -7.498 35.802 19.853 1.00 61.11 C ATOM 546 CG ASN A 35 -8.290 36.444 18.730 1.00 32.42 C ATOM 547 OD1 ASN A 35 -8.555 35.816 17.705 1.00 73.40 O ATOM 548 ND2 ASN A 35 -8.672 37.701 18.919 1.00 1.34 N ATOM 0 H ASN A 35 -7.017 33.901 21.839 1.00 4.41 H new ATOM 0 HA ASN A 35 -8.524 33.997 19.294 1.00 41.21 H new ATOM 0 HB2 ASN A 35 -7.830 36.210 20.808 1.00 61.11 H new ATOM 0 HB3 ASN A 35 -6.445 36.060 19.745 1.00 61.11 H new ATOM 0 HD21 ASN A 35 -9.208 38.185 18.199 1.00 1.34 H new ATOM 0 HD22 ASN A 35 -8.430 38.183 19.785 1.00 1.34 H new ATOM 555 N LEU A 36 -6.200 32.358 19.562 1.00 32.44 N ATOM 556 CA LEU A 36 -5.062 31.619 19.027 1.00 43.34 C ATOM 557 C LEU A 36 -5.528 30.454 18.160 1.00 63.03 C ATOM 558 O LEU A 36 -4.753 29.897 17.383 1.00 32.22 O ATOM 559 CB LEU A 36 -4.182 31.102 20.166 1.00 10.32 C ATOM 560 CG LEU A 36 -3.199 29.989 19.803 1.00 43.11 C ATOM 561 CD1 LEU A 36 -1.931 30.105 20.634 1.00 24.34 C ATOM 562 CD2 LEU A 36 -3.843 28.624 19.997 1.00 41.14 C ATOM 0 H LEU A 36 -6.797 31.817 20.188 1.00 32.44 H new ATOM 0 HA LEU A 36 -4.479 32.299 18.406 1.00 43.34 H new ATOM 0 HB2 LEU A 36 -3.616 31.941 20.571 1.00 10.32 H new ATOM 0 HB3 LEU A 36 -4.831 30.740 20.964 1.00 10.32 H new ATOM 0 HG LEU A 36 -2.931 30.096 18.752 1.00 43.11 H new ATOM 0 HD11 LEU A 36 -1.243 29.304 20.362 1.00 24.34 H new ATOM 0 HD12 LEU A 36 -1.459 31.069 20.445 1.00 24.34 H new ATOM 0 HD13 LEU A 36 -2.181 30.025 21.692 1.00 24.34 H new ATOM 0 HD21 LEU A 36 -3.129 27.844 19.734 1.00 41.14 H new ATOM 0 HD22 LEU A 36 -4.141 28.507 21.039 1.00 41.14 H new ATOM 0 HD23 LEU A 36 -4.722 28.542 19.357 1.00 41.14 H new ATOM 574 N ASN A 37 -6.799 30.092 18.297 1.00 13.51 N ATOM 575 CA ASN A 37 -7.369 28.994 17.525 1.00 53.30 C ATOM 576 C ASN A 37 -7.584 29.405 16.072 1.00 53.35 C ATOM 577 O ASN A 37 -7.194 28.690 15.149 1.00 22.41 O ATOM 578 CB ASN A 37 -8.696 28.545 18.141 1.00 23.21 C ATOM 579 CG ASN A 37 -8.539 27.319 19.020 1.00 1.24 C ATOM 580 OD1 ASN A 37 -8.790 26.195 18.587 1.00 25.51 O ATOM 581 ND2 ASN A 37 -8.122 27.532 20.263 1.00 14.32 N ATOM 0 H ASN A 37 -7.454 30.543 18.936 1.00 13.51 H new ATOM 0 HA ASN A 37 -6.665 28.162 17.549 1.00 53.30 H new ATOM 0 HB2 ASN A 37 -9.114 29.361 18.731 1.00 23.21 H new ATOM 0 HB3 ASN A 37 -9.409 28.329 17.345 1.00 23.21 H new ATOM 0 HD21 ASN A 37 -7.998 26.746 20.901 1.00 14.32 H new ATOM 0 HD22 ASN A 37 -7.926 28.482 20.579 1.00 14.32 H new ATOM 588 N ASP A 38 -8.207 30.562 15.876 1.00 41.33 N ATOM 589 CA ASP A 38 -8.473 31.070 14.535 1.00 44.23 C ATOM 590 C ASP A 38 -7.178 31.205 13.739 1.00 54.54 C ATOM 591 O ASP A 38 -7.073 30.712 12.615 1.00 2.30 O ATOM 592 CB ASP A 38 -9.183 32.422 14.610 1.00 54.40 C ATOM 593 CG ASP A 38 -10.604 32.360 14.083 1.00 45.00 C ATOM 594 OD1 ASP A 38 -11.518 32.846 14.781 1.00 2.43 O ATOM 595 OD2 ASP A 38 -10.801 31.826 12.972 1.00 64.32 O ATOM 0 H ASP A 38 -8.537 31.166 16.629 1.00 41.33 H new ATOM 0 HA ASP A 38 -9.120 30.357 14.025 1.00 44.23 H new ATOM 0 HB2 ASP A 38 -9.197 32.765 15.645 1.00 54.40 H new ATOM 0 HB3 ASP A 38 -8.618 33.158 14.038 1.00 54.40 H new ATOM 600 N THR A 39 -6.195 31.878 14.328 1.00 44.34 N ATOM 601 CA THR A 39 -4.908 32.081 13.673 1.00 33.21 C ATOM 602 C THR A 39 -4.271 30.750 13.291 1.00 45.13 C ATOM 603 O THR A 39 -3.864 30.552 12.146 1.00 63.43 O ATOM 604 CB THR A 39 -3.936 32.863 14.576 1.00 65.31 C ATOM 605 OG1 THR A 39 -4.632 33.380 15.715 1.00 34.30 O ATOM 606 CG2 THR A 39 -3.287 34.006 13.810 1.00 21.11 C ATOM 0 H THR A 39 -6.265 32.292 15.258 1.00 44.34 H new ATOM 0 HA THR A 39 -5.099 32.661 12.770 1.00 33.21 H new ATOM 0 HB THR A 39 -3.155 32.179 14.909 1.00 65.31 H new ATOM 0 HG1 THR A 39 -4.006 33.874 16.284 1.00 34.30 H new ATOM 0 HG21 THR A 39 -2.605 34.544 14.468 1.00 21.11 H new ATOM 0 HG22 THR A 39 -2.733 33.606 12.961 1.00 21.11 H new ATOM 0 HG23 THR A 39 -4.058 34.688 13.451 1.00 21.11 H new ATOM 614 N PHE A 40 -4.187 29.840 14.256 1.00 44.52 N ATOM 615 CA PHE A 40 -3.598 28.528 14.020 1.00 64.53 C ATOM 616 C PHE A 40 -4.357 27.779 12.928 1.00 43.21 C ATOM 617 O PHE A 40 -3.754 27.159 12.051 1.00 12.23 O ATOM 618 CB PHE A 40 -3.597 27.706 15.311 1.00 65.05 C ATOM 619 CG PHE A 40 -2.666 26.527 15.270 1.00 13.32 C ATOM 620 CD1 PHE A 40 -1.374 26.664 14.790 1.00 1.11 C ATOM 621 CD2 PHE A 40 -3.085 25.282 15.712 1.00 43.51 C ATOM 622 CE1 PHE A 40 -0.515 25.582 14.752 1.00 72.41 C ATOM 623 CE2 PHE A 40 -2.230 24.197 15.677 1.00 75.45 C ATOM 624 CZ PHE A 40 -0.945 24.346 15.195 1.00 44.02 C ATOM 0 H PHE A 40 -4.520 29.988 15.209 1.00 44.52 H new ATOM 0 HA PHE A 40 -2.570 28.674 13.689 1.00 64.53 H new ATOM 0 HB2 PHE A 40 -3.317 28.352 16.143 1.00 65.05 H new ATOM 0 HB3 PHE A 40 -4.609 27.353 15.508 1.00 65.05 H new ATOM 0 HD1 PHE A 40 -1.034 27.628 14.441 1.00 1.11 H new ATOM 0 HD2 PHE A 40 -4.090 25.159 16.088 1.00 43.51 H new ATOM 0 HE1 PHE A 40 0.491 25.702 14.377 1.00 72.41 H new ATOM 0 HE2 PHE A 40 -2.567 23.232 16.027 1.00 75.45 H new ATOM 0 HZ PHE A 40 -0.277 23.498 15.164 1.00 44.02 H new ATOM 634 N ASP A 41 -5.682 27.842 12.989 1.00 73.45 N ATOM 635 CA ASP A 41 -6.525 27.171 12.006 1.00 71.15 C ATOM 636 C ASP A 41 -6.204 27.654 10.595 1.00 55.34 C ATOM 637 O ASP A 41 -5.776 26.876 9.742 1.00 73.13 O ATOM 638 CB ASP A 41 -8.002 27.414 12.318 1.00 54.30 C ATOM 639 CG ASP A 41 -8.882 26.253 11.899 1.00 62.41 C ATOM 640 OD1 ASP A 41 -9.945 26.502 11.293 1.00 74.50 O ATOM 641 OD2 ASP A 41 -8.506 25.095 12.176 1.00 72.41 O ATOM 0 H ASP A 41 -6.196 28.351 13.708 1.00 73.45 H new ATOM 0 HA ASP A 41 -6.322 26.101 12.060 1.00 71.15 H new ATOM 0 HB2 ASP A 41 -8.120 27.588 13.387 1.00 54.30 H new ATOM 0 HB3 ASP A 41 -8.333 28.319 11.809 1.00 54.30 H new ATOM 646 N THR A 42 -6.416 28.945 10.354 1.00 25.23 N ATOM 647 CA THR A 42 -6.151 29.532 9.047 1.00 74.12 C ATOM 648 C THR A 42 -4.717 29.266 8.604 1.00 10.34 C ATOM 649 O THR A 42 -4.419 29.245 7.410 1.00 20.30 O ATOM 650 CB THR A 42 -6.402 31.052 9.052 1.00 21.34 C ATOM 651 OG1 THR A 42 -6.915 31.468 7.782 1.00 13.43 O ATOM 652 CG2 THR A 42 -5.120 31.810 9.360 1.00 3.34 C ATOM 0 H THR A 42 -6.771 29.603 11.048 1.00 25.23 H new ATOM 0 HA THR A 42 -6.838 29.060 8.344 1.00 74.12 H new ATOM 0 HB THR A 42 -7.133 31.275 9.829 1.00 21.34 H new ATOM 0 HG1 THR A 42 -7.073 32.435 7.794 1.00 13.43 H new ATOM 0 HG21 THR A 42 -5.321 32.881 9.358 1.00 3.34 H new ATOM 0 HG22 THR A 42 -4.748 31.512 10.340 1.00 3.34 H new ATOM 0 HG23 THR A 42 -4.371 31.580 8.602 1.00 3.34 H new ATOM 660 N PHE A 43 -3.831 29.064 9.574 1.00 35.14 N ATOM 661 CA PHE A 43 -2.427 28.800 9.284 1.00 20.34 C ATOM 662 C PHE A 43 -2.242 27.391 8.727 1.00 53.31 C ATOM 663 O PHE A 43 -1.766 27.213 7.606 1.00 4.45 O ATOM 664 CB PHE A 43 -1.582 28.975 10.548 1.00 43.34 C ATOM 665 CG PHE A 43 -0.105 29.035 10.278 1.00 54.15 C ATOM 666 CD1 PHE A 43 0.791 28.384 11.109 1.00 5.32 C ATOM 667 CD2 PHE A 43 0.386 29.743 9.192 1.00 35.21 C ATOM 668 CE1 PHE A 43 2.151 28.437 10.863 1.00 14.13 C ATOM 669 CE2 PHE A 43 1.743 29.799 8.941 1.00 64.31 C ATOM 670 CZ PHE A 43 2.627 29.146 9.778 1.00 1.22 C ATOM 0 H PHE A 43 -4.061 29.078 10.568 1.00 35.14 H new ATOM 0 HA PHE A 43 -2.096 29.516 8.531 1.00 20.34 H new ATOM 0 HB2 PHE A 43 -1.888 29.889 11.056 1.00 43.34 H new ATOM 0 HB3 PHE A 43 -1.786 28.149 11.229 1.00 43.34 H new ATOM 0 HD1 PHE A 43 0.424 27.828 11.959 1.00 5.32 H new ATOM 0 HD2 PHE A 43 -0.300 30.257 8.535 1.00 35.21 H new ATOM 0 HE1 PHE A 43 2.840 27.925 11.519 1.00 14.13 H new ATOM 0 HE2 PHE A 43 2.113 30.353 8.091 1.00 64.31 H new ATOM 0 HZ PHE A 43 3.689 29.190 9.584 1.00 1.22 H new ATOM 680 N ALA A 44 -2.623 26.394 9.518 1.00 21.31 N ATOM 681 CA ALA A 44 -2.501 25.001 9.104 1.00 11.42 C ATOM 682 C ALA A 44 -3.235 24.753 7.791 1.00 64.04 C ATOM 683 O ALA A 44 -2.696 24.128 6.876 1.00 54.14 O ATOM 684 CB ALA A 44 -3.034 24.079 10.191 1.00 42.21 C ATOM 0 H ALA A 44 -3.019 26.524 10.449 1.00 21.31 H new ATOM 0 HA ALA A 44 -1.444 24.786 8.946 1.00 11.42 H new ATOM 0 HB1 ALA A 44 -2.937 23.042 9.869 1.00 42.21 H new ATOM 0 HB2 ALA A 44 -2.463 24.229 11.107 1.00 42.21 H new ATOM 0 HB3 ALA A 44 -4.084 24.304 10.377 1.00 42.21 H new ATOM 690 N LEU A 45 -4.466 25.245 7.704 1.00 65.14 N ATOM 691 CA LEU A 45 -5.274 25.076 6.501 1.00 21.41 C ATOM 692 C LEU A 45 -4.459 25.383 5.249 1.00 4.12 C ATOM 693 O LEU A 45 -4.282 24.525 4.385 1.00 75.54 O ATOM 694 CB LEU A 45 -6.504 25.983 6.558 1.00 72.20 C ATOM 695 CG LEU A 45 -7.068 26.435 5.210 1.00 21.43 C ATOM 696 CD1 LEU A 45 -7.369 25.233 4.328 1.00 42.12 C ATOM 697 CD2 LEU A 45 -8.319 27.278 5.411 1.00 64.20 C ATOM 0 H LEU A 45 -4.926 25.764 8.452 1.00 65.14 H new ATOM 0 HA LEU A 45 -5.598 24.036 6.454 1.00 21.41 H new ATOM 0 HB2 LEU A 45 -7.291 25.460 7.102 1.00 72.20 H new ATOM 0 HB3 LEU A 45 -6.250 26.870 7.139 1.00 72.20 H new ATOM 0 HG LEU A 45 -6.318 27.048 4.711 1.00 21.43 H new ATOM 0 HD11 LEU A 45 -7.769 25.574 3.373 1.00 42.12 H new ATOM 0 HD12 LEU A 45 -6.452 24.669 4.157 1.00 42.12 H new ATOM 0 HD13 LEU A 45 -8.101 24.594 4.821 1.00 42.12 H new ATOM 0 HD21 LEU A 45 -8.707 27.591 4.441 1.00 64.20 H new ATOM 0 HD22 LEU A 45 -9.075 26.689 5.931 1.00 64.20 H new ATOM 0 HD23 LEU A 45 -8.073 28.158 6.005 1.00 64.20 H new ATOM 709 N ASP A 46 -3.962 26.612 5.160 1.00 30.00 N ATOM 710 CA ASP A 46 -3.162 27.032 4.015 1.00 10.24 C ATOM 711 C ASP A 46 -2.070 26.011 3.712 1.00 42.53 C ATOM 712 O ASP A 46 -1.870 25.624 2.560 1.00 11.41 O ATOM 713 CB ASP A 46 -2.537 28.403 4.279 1.00 52.24 C ATOM 714 CG ASP A 46 -2.670 29.337 3.092 1.00 40.40 C ATOM 715 OD1 ASP A 46 -3.582 30.191 3.107 1.00 23.05 O ATOM 716 OD2 ASP A 46 -1.862 29.215 2.148 1.00 4.52 O ATOM 0 H ASP A 46 -4.099 27.335 5.867 1.00 30.00 H new ATOM 0 HA ASP A 46 -3.820 27.102 3.149 1.00 10.24 H new ATOM 0 HB2 ASP A 46 -3.014 28.855 5.149 1.00 52.24 H new ATOM 0 HB3 ASP A 46 -1.482 28.278 4.523 1.00 52.24 H new ATOM 721 N PHE A 47 -1.364 25.580 4.752 1.00 35.01 N ATOM 722 CA PHE A 47 -0.291 24.606 4.597 1.00 64.35 C ATOM 723 C PHE A 47 -0.810 23.321 3.957 1.00 11.22 C ATOM 724 O PHE A 47 -0.254 22.837 2.972 1.00 60.33 O ATOM 725 CB PHE A 47 0.344 24.293 5.953 1.00 15.15 C ATOM 726 CG PHE A 47 1.681 24.945 6.154 1.00 4.54 C ATOM 727 CD1 PHE A 47 2.766 24.588 5.370 1.00 23.33 C ATOM 728 CD2 PHE A 47 1.854 25.916 7.128 1.00 43.21 C ATOM 729 CE1 PHE A 47 3.999 25.186 5.552 1.00 12.44 C ATOM 730 CE2 PHE A 47 3.084 26.519 7.314 1.00 22.43 C ATOM 731 CZ PHE A 47 4.158 26.152 6.526 1.00 10.44 C ATOM 0 H PHE A 47 -1.516 25.890 5.712 1.00 35.01 H new ATOM 0 HA PHE A 47 0.465 25.038 3.941 1.00 64.35 H new ATOM 0 HB2 PHE A 47 -0.332 24.617 6.745 1.00 15.15 H new ATOM 0 HB3 PHE A 47 0.457 23.213 6.052 1.00 15.15 H new ATOM 0 HD1 PHE A 47 2.647 23.833 4.607 1.00 23.33 H new ATOM 0 HD2 PHE A 47 1.019 26.205 7.749 1.00 43.21 H new ATOM 0 HE1 PHE A 47 4.836 24.898 4.934 1.00 12.44 H new ATOM 0 HE2 PHE A 47 3.205 27.276 8.074 1.00 22.43 H new ATOM 0 HZ PHE A 47 5.120 26.620 6.672 1.00 10.44 H new ATOM 741 N SER A 48 -1.880 22.775 4.526 1.00 22.32 N ATOM 742 CA SER A 48 -2.473 21.544 4.016 1.00 44.25 C ATOM 743 C SER A 48 -2.760 21.659 2.522 1.00 71.14 C ATOM 744 O SER A 48 -2.460 20.749 1.749 1.00 74.50 O ATOM 745 CB SER A 48 -3.763 21.223 4.772 1.00 72.24 C ATOM 746 OG SER A 48 -4.002 19.826 4.802 1.00 52.31 O ATOM 0 H SER A 48 -2.354 23.166 5.340 1.00 22.32 H new ATOM 0 HA SER A 48 -1.760 20.734 4.170 1.00 44.25 H new ATOM 0 HB2 SER A 48 -3.696 21.606 5.790 1.00 72.24 H new ATOM 0 HB3 SER A 48 -4.603 21.729 4.296 1.00 72.24 H new ATOM 0 HG SER A 48 -4.831 19.646 5.292 1.00 52.31 H new ATOM 752 N ARG A 49 -3.343 22.784 2.122 1.00 13.55 N ATOM 753 CA ARG A 49 -3.673 23.019 0.722 1.00 40.02 C ATOM 754 C ARG A 49 -2.479 22.712 -0.177 1.00 23.43 C ATOM 755 O ARG A 49 -2.627 22.099 -1.234 1.00 10.43 O ATOM 756 CB ARG A 49 -4.120 24.468 0.517 1.00 64.33 C ATOM 757 CG ARG A 49 -4.255 24.862 -0.945 1.00 10.10 C ATOM 758 CD ARG A 49 -5.339 24.055 -1.642 1.00 32.24 C ATOM 759 NE ARG A 49 -6.247 24.904 -2.407 1.00 55.33 N ATOM 760 CZ ARG A 49 -7.231 24.433 -3.165 1.00 72.22 C ATOM 761 NH1 ARG A 49 -7.433 23.126 -3.258 1.00 21.41 N ATOM 762 NH2 ARG A 49 -8.016 25.270 -3.832 1.00 70.50 N ATOM 0 H ARG A 49 -3.597 23.548 2.749 1.00 13.55 H new ATOM 0 HA ARG A 49 -4.491 22.352 0.451 1.00 40.02 H new ATOM 0 HB2 ARG A 49 -5.078 24.618 1.015 1.00 64.33 H new ATOM 0 HB3 ARG A 49 -3.403 25.132 0.999 1.00 64.33 H new ATOM 0 HG2 ARG A 49 -4.488 25.924 -1.017 1.00 10.10 H new ATOM 0 HG3 ARG A 49 -3.303 24.710 -1.453 1.00 10.10 H new ATOM 0 HD2 ARG A 49 -4.877 23.326 -2.308 1.00 32.24 H new ATOM 0 HD3 ARG A 49 -5.907 23.494 -0.900 1.00 32.24 H new ATOM 0 HE ARG A 49 -6.119 25.915 -2.357 1.00 55.33 H new ATOM 0 HH11 ARG A 49 -6.832 22.479 -2.747 1.00 21.41 H new ATOM 0 HH12 ARG A 49 -8.189 22.767 -3.841 1.00 21.41 H new ATOM 0 HH21 ARG A 49 -7.864 26.276 -3.763 1.00 70.50 H new ATOM 0 HH22 ARG A 49 -8.771 24.907 -4.414 1.00 70.50 H new ATOM 776 N GLU A 50 -1.296 23.141 0.252 1.00 41.52 N ATOM 777 CA GLU A 50 -0.077 22.913 -0.515 1.00 71.12 C ATOM 778 C GLU A 50 0.294 21.433 -0.519 1.00 74.44 C ATOM 779 O GLU A 50 0.817 20.914 -1.506 1.00 2.41 O ATOM 780 CB GLU A 50 1.076 23.737 0.060 1.00 4.14 C ATOM 781 CG GLU A 50 2.313 23.752 -0.822 1.00 3.31 C ATOM 782 CD GLU A 50 3.447 24.561 -0.223 1.00 25.03 C ATOM 783 OE1 GLU A 50 3.172 25.643 0.338 1.00 24.51 O ATOM 784 OE2 GLU A 50 4.609 24.113 -0.314 1.00 44.05 O ATOM 0 H GLU A 50 -1.156 23.648 1.126 1.00 41.52 H new ATOM 0 HA GLU A 50 -0.261 23.227 -1.542 1.00 71.12 H new ATOM 0 HB2 GLU A 50 0.738 24.762 0.214 1.00 4.14 H new ATOM 0 HB3 GLU A 50 1.343 23.339 1.039 1.00 4.14 H new ATOM 0 HG2 GLU A 50 2.650 22.728 -0.987 1.00 3.31 H new ATOM 0 HG3 GLU A 50 2.054 24.163 -1.798 1.00 3.31 H new ATOM 791 N LYS A 51 0.019 20.757 0.591 1.00 33.11 N ATOM 792 CA LYS A 51 0.322 19.336 0.718 1.00 54.23 C ATOM 793 C LYS A 51 -0.452 18.521 -0.314 1.00 44.10 C ATOM 794 O LYS A 51 0.117 17.678 -1.007 1.00 64.43 O ATOM 795 CB LYS A 51 -0.015 18.846 2.128 1.00 74.54 C ATOM 796 CG LYS A 51 -0.452 17.392 2.177 1.00 21.44 C ATOM 797 CD LYS A 51 -1.962 17.266 2.293 1.00 2.31 C ATOM 798 CE LYS A 51 -2.466 15.985 1.646 1.00 1.33 C ATOM 799 NZ LYS A 51 -1.694 14.795 2.099 1.00 75.43 N ATOM 0 H LYS A 51 -0.414 21.171 1.417 1.00 33.11 H new ATOM 0 HA LYS A 51 1.388 19.199 0.538 1.00 54.23 H new ATOM 0 HB2 LYS A 51 0.858 18.976 2.767 1.00 74.54 H new ATOM 0 HB3 LYS A 51 -0.808 19.469 2.541 1.00 74.54 H new ATOM 0 HG2 LYS A 51 -0.111 16.878 1.278 1.00 21.44 H new ATOM 0 HG3 LYS A 51 0.021 16.897 3.025 1.00 21.44 H new ATOM 0 HD2 LYS A 51 -2.250 17.281 3.344 1.00 2.31 H new ATOM 0 HD3 LYS A 51 -2.437 18.125 1.820 1.00 2.31 H new ATOM 0 HE2 LYS A 51 -3.520 15.847 1.886 1.00 1.33 H new ATOM 0 HE3 LYS A 51 -2.395 16.073 0.562 1.00 1.33 H new ATOM 0 HZ1 LYS A 51 -2.335 13.982 2.196 1.00 75.43 H new ATOM 0 HZ2 LYS A 51 -0.957 14.573 1.400 1.00 75.43 H new ATOM 0 HZ3 LYS A 51 -1.251 14.998 3.018 1.00 75.43 H new ATOM 813 N LYS A 52 -1.751 18.779 -0.412 1.00 13.12 N ATOM 814 CA LYS A 52 -2.603 18.072 -1.361 1.00 21.22 C ATOM 815 C LYS A 52 -2.086 18.240 -2.786 1.00 22.41 C ATOM 816 O LYS A 52 -1.931 17.263 -3.520 1.00 74.23 O ATOM 817 CB LYS A 52 -4.042 18.583 -1.266 1.00 11.44 C ATOM 818 CG LYS A 52 -4.962 18.015 -2.332 1.00 64.53 C ATOM 819 CD LYS A 52 -5.191 16.526 -2.134 1.00 73.43 C ATOM 820 CE LYS A 52 -6.288 16.262 -1.114 1.00 24.35 C ATOM 821 NZ LYS A 52 -7.002 14.984 -1.385 1.00 73.30 N ATOM 0 H LYS A 52 -2.238 19.473 0.155 1.00 13.12 H new ATOM 0 HA LYS A 52 -2.583 17.012 -1.108 1.00 21.22 H new ATOM 0 HB2 LYS A 52 -4.442 18.335 -0.283 1.00 11.44 H new ATOM 0 HB3 LYS A 52 -4.038 19.670 -1.343 1.00 11.44 H new ATOM 0 HG2 LYS A 52 -5.918 18.538 -2.305 1.00 64.53 H new ATOM 0 HG3 LYS A 52 -4.530 18.190 -3.317 1.00 64.53 H new ATOM 0 HD2 LYS A 52 -5.460 16.068 -3.086 1.00 73.43 H new ATOM 0 HD3 LYS A 52 -4.265 16.055 -1.804 1.00 73.43 H new ATOM 0 HE2 LYS A 52 -5.854 16.231 -0.114 1.00 24.35 H new ATOM 0 HE3 LYS A 52 -7.001 17.086 -1.126 1.00 24.35 H new ATOM 0 HZ1 LYS A 52 -7.742 14.841 -0.668 1.00 73.30 H new ATOM 0 HZ2 LYS A 52 -7.437 15.023 -2.329 1.00 73.30 H new ATOM 0 HZ3 LYS A 52 -6.326 14.194 -1.348 1.00 73.30 H new ATOM 835 N LEU A 53 -1.818 19.483 -3.171 1.00 34.42 N ATOM 836 CA LEU A 53 -1.317 19.778 -4.508 1.00 45.23 C ATOM 837 C LEU A 53 -0.076 18.948 -4.820 1.00 64.11 C ATOM 838 O LEU A 53 0.202 18.637 -5.979 1.00 53.54 O ATOM 839 CB LEU A 53 -0.993 21.268 -4.635 1.00 65.21 C ATOM 840 CG LEU A 53 -0.797 21.793 -6.058 1.00 3.43 C ATOM 841 CD1 LEU A 53 -2.134 22.170 -6.676 1.00 41.32 C ATOM 842 CD2 LEU A 53 0.149 22.985 -6.060 1.00 41.44 C ATOM 0 H LEU A 53 -1.939 20.302 -2.576 1.00 34.42 H new ATOM 0 HA LEU A 53 -2.095 19.519 -5.226 1.00 45.23 H new ATOM 0 HB2 LEU A 53 -1.798 21.836 -4.167 1.00 65.21 H new ATOM 0 HB3 LEU A 53 -0.086 21.472 -4.066 1.00 65.21 H new ATOM 0 HG LEU A 53 -0.352 21.001 -6.660 1.00 3.43 H new ATOM 0 HD11 LEU A 53 -1.975 22.541 -7.688 1.00 41.32 H new ATOM 0 HD12 LEU A 53 -2.780 21.293 -6.709 1.00 41.32 H new ATOM 0 HD13 LEU A 53 -2.607 22.947 -6.075 1.00 41.32 H new ATOM 0 HD21 LEU A 53 0.277 23.346 -7.080 1.00 41.44 H new ATOM 0 HD22 LEU A 53 -0.268 23.781 -5.443 1.00 41.44 H new ATOM 0 HD23 LEU A 53 1.116 22.683 -5.658 1.00 41.44 H new ATOM 854 N LEU A 54 0.667 18.589 -3.779 1.00 11.34 N ATOM 855 CA LEU A 54 1.878 17.792 -3.940 1.00 51.15 C ATOM 856 C LEU A 54 1.550 16.303 -3.969 1.00 33.20 C ATOM 857 O LEU A 54 2.316 15.499 -4.498 1.00 44.14 O ATOM 858 CB LEU A 54 2.862 18.088 -2.807 1.00 71.42 C ATOM 859 CG LEU A 54 4.203 17.357 -2.876 1.00 24.05 C ATOM 860 CD1 LEU A 54 4.073 15.948 -2.317 1.00 41.35 C ATOM 861 CD2 LEU A 54 4.718 17.320 -4.307 1.00 42.01 C ATOM 0 H LEU A 54 0.452 18.838 -2.813 1.00 11.34 H new ATOM 0 HA LEU A 54 2.337 18.062 -4.891 1.00 51.15 H new ATOM 0 HB2 LEU A 54 3.056 19.161 -2.792 1.00 71.42 H new ATOM 0 HB3 LEU A 54 2.382 17.837 -1.861 1.00 71.42 H new ATOM 0 HG LEU A 54 4.923 17.902 -2.266 1.00 24.05 H new ATOM 0 HD11 LEU A 54 5.037 15.443 -2.375 1.00 41.35 H new ATOM 0 HD12 LEU A 54 3.751 15.998 -1.277 1.00 41.35 H new ATOM 0 HD13 LEU A 54 3.337 15.392 -2.899 1.00 41.35 H new ATOM 0 HD21 LEU A 54 5.673 16.796 -4.336 1.00 42.01 H new ATOM 0 HD22 LEU A 54 3.999 16.799 -4.939 1.00 42.01 H new ATOM 0 HD23 LEU A 54 4.851 18.338 -4.672 1.00 42.01 H new ATOM 873 N GLU A 55 0.404 15.943 -3.398 1.00 4.33 N ATOM 874 CA GLU A 55 -0.025 14.550 -3.359 1.00 52.45 C ATOM 875 C GLU A 55 -1.231 14.328 -4.267 1.00 73.15 C ATOM 876 O GLU A 55 -1.991 13.375 -4.086 1.00 43.34 O ATOM 877 CB GLU A 55 -0.369 14.139 -1.926 1.00 70.35 C ATOM 878 CG GLU A 55 -0.352 12.636 -1.704 1.00 75.34 C ATOM 879 CD GLU A 55 -1.673 12.109 -1.177 1.00 51.31 C ATOM 880 OE1 GLU A 55 -2.147 12.627 -0.144 1.00 32.52 O ATOM 881 OE2 GLU A 55 -2.232 11.181 -1.797 1.00 33.42 O ATOM 0 H GLU A 55 -0.243 16.596 -2.957 1.00 4.33 H new ATOM 0 HA GLU A 55 0.798 13.932 -3.718 1.00 52.45 H new ATOM 0 HB2 GLU A 55 0.340 14.607 -1.243 1.00 70.35 H new ATOM 0 HB3 GLU A 55 -1.357 14.524 -1.674 1.00 70.35 H new ATOM 0 HG2 GLU A 55 -0.115 12.136 -2.643 1.00 75.34 H new ATOM 0 HG3 GLU A 55 0.442 12.385 -1.000 1.00 75.34 H new