USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 635 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 58 MET CE :methyl -159:sc= -0.222 (180deg=-0.61) USER MOD Set 1.2: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0.0922 (180deg=0.0675) USER MOD Single : A 11 LYS NZ :NH3+ -119:sc= 0.175 (180deg=-0.205) USER MOD Single : A 14 LYS NZ :NH3+ -128:sc= 0.265 (180deg=-0.813) USER MOD Single : A 20 THR OG1 : rot -90:sc= 0.0644 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= -0.0851 (180deg=-0.39) USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= 0.637 (180deg=0.307) USER MOD Single : A 48 LYS NZ :NH3+ -105:sc= 0.0293 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 50 MET CE :methyl -151:sc= -0.16 (180deg=-1.78) USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= -0.372 (180deg=-0.865) USER MOD Single : A 60 GLN : amide:sc= -0.0361 X(o=-0.036,f=-0.18) USER MOD Single : A 61 MET CE :methyl 180:sc= -3.09! (180deg=-3.09!) USER MOD Single : A 62 TYR OH : rot 123:sc= 0.722 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -3.41! K(o=-3.4!,f=-0.52) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 79 LYS NZ :NH3+ -152:sc= 0.565 (180deg=0.0908) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 -0.603 -13.445 7.834 1.00 2.41 N ATOM 114 CA LYS A 7 0.804 -12.962 7.640 1.00 54.24 C ATOM 115 C LYS A 7 0.994 -12.127 6.345 1.00 73.12 C ATOM 116 O LYS A 7 1.814 -11.197 6.317 1.00 31.12 O ATOM 117 CB LYS A 7 1.803 -14.152 7.679 1.00 75.24 C ATOM 118 CG LYS A 7 1.721 -14.992 8.973 1.00 74.04 C ATOM 119 CD LYS A 7 1.892 -14.132 10.248 1.00 33.11 C ATOM 120 CE LYS A 7 1.456 -14.857 11.529 1.00 62.25 C ATOM 121 NZ LYS A 7 1.357 -13.925 12.681 1.00 73.42 N ATOM 0 HA LYS A 7 1.015 -12.290 8.471 1.00 54.24 H new ATOM 0 HB2 LYS A 7 1.615 -14.800 6.823 1.00 75.24 H new ATOM 0 HB3 LYS A 7 2.817 -13.767 7.570 1.00 75.24 H new ATOM 0 HG2 LYS A 7 0.759 -15.504 9.010 1.00 74.04 H new ATOM 0 HG3 LYS A 7 2.492 -15.762 8.952 1.00 74.04 H new ATOM 0 HD2 LYS A 7 2.937 -13.838 10.343 1.00 33.11 H new ATOM 0 HD3 LYS A 7 1.311 -13.216 10.141 1.00 33.11 H new ATOM 0 HE2 LYS A 7 0.491 -15.337 11.365 1.00 62.25 H new ATOM 0 HE3 LYS A 7 2.170 -15.647 11.761 1.00 62.25 H new ATOM 0 HZ1 LYS A 7 0.886 -14.404 13.475 1.00 73.42 H new ATOM 0 HZ2 LYS A 7 2.311 -13.629 12.971 1.00 73.42 H new ATOM 0 HZ3 LYS A 7 0.805 -13.088 12.404 1.00 73.42 H new ATOM 135 N LEU A 8 0.218 -12.449 5.294 1.00 64.13 N ATOM 136 CA LEU A 8 0.215 -11.662 4.038 1.00 64.21 C ATOM 137 C LEU A 8 -0.468 -10.281 4.238 1.00 10.53 C ATOM 138 O LEU A 8 0.104 -9.246 3.870 1.00 73.24 O ATOM 139 CB LEU A 8 -0.448 -12.455 2.864 1.00 60.41 C ATOM 140 CG LEU A 8 0.437 -13.549 2.171 1.00 22.53 C ATOM 141 CD1 LEU A 8 1.757 -12.947 1.643 1.00 22.15 C ATOM 142 CD2 LEU A 8 0.704 -14.761 3.090 1.00 2.21 C ATOM 0 H LEU A 8 -0.416 -13.248 5.285 1.00 64.13 H new ATOM 0 HA LEU A 8 1.255 -11.482 3.766 1.00 64.21 H new ATOM 0 HB2 LEU A 8 -1.350 -12.936 3.243 1.00 60.41 H new ATOM 0 HB3 LEU A 8 -0.763 -11.740 2.104 1.00 60.41 H new ATOM 0 HG LEU A 8 -0.132 -13.920 1.318 1.00 22.53 H new ATOM 0 HD11 LEU A 8 2.349 -13.729 1.168 1.00 22.15 H new ATOM 0 HD12 LEU A 8 1.535 -12.167 0.915 1.00 22.15 H new ATOM 0 HD13 LEU A 8 2.320 -12.520 2.473 1.00 22.15 H new ATOM 0 HD21 LEU A 8 1.321 -15.489 2.563 1.00 2.21 H new ATOM 0 HD22 LEU A 8 1.223 -14.429 3.989 1.00 2.21 H new ATOM 0 HD23 LEU A 8 -0.244 -15.222 3.368 1.00 2.21 H new ATOM 154 N LEU A 9 -1.676 -10.266 4.849 1.00 64.11 N ATOM 155 CA LEU A 9 -2.422 -9.004 5.097 1.00 45.43 C ATOM 156 C LEU A 9 -1.742 -8.123 6.184 1.00 2.34 C ATOM 157 O LEU A 9 -1.918 -6.913 6.183 1.00 72.43 O ATOM 158 CB LEU A 9 -3.940 -9.283 5.379 1.00 44.31 C ATOM 159 CG LEU A 9 -4.335 -10.192 6.599 1.00 44.11 C ATOM 160 CD1 LEU A 9 -4.270 -9.447 7.958 1.00 71.34 C ATOM 161 CD2 LEU A 9 -5.733 -10.827 6.398 1.00 23.32 C ATOM 0 H LEU A 9 -2.154 -11.105 5.178 1.00 64.11 H new ATOM 0 HA LEU A 9 -2.385 -8.412 4.182 1.00 45.43 H new ATOM 0 HB2 LEU A 9 -4.432 -8.320 5.514 1.00 44.31 H new ATOM 0 HB3 LEU A 9 -4.364 -9.734 4.482 1.00 44.31 H new ATOM 0 HG LEU A 9 -3.589 -10.986 6.636 1.00 44.11 H new ATOM 0 HD11 LEU A 9 -4.554 -10.128 8.760 1.00 71.34 H new ATOM 0 HD12 LEU A 9 -3.255 -9.089 8.128 1.00 71.34 H new ATOM 0 HD13 LEU A 9 -4.956 -8.600 7.942 1.00 71.34 H new ATOM 0 HD21 LEU A 9 -5.977 -11.450 7.259 1.00 23.32 H new ATOM 0 HD22 LEU A 9 -6.479 -10.039 6.297 1.00 23.32 H new ATOM 0 HD23 LEU A 9 -5.728 -11.440 5.497 1.00 23.32 H new ATOM 173 N GLU A 10 -0.972 -8.753 7.100 1.00 22.41 N ATOM 174 CA GLU A 10 -0.190 -8.042 8.148 1.00 41.23 C ATOM 175 C GLU A 10 1.025 -7.305 7.536 1.00 5.30 C ATOM 176 O GLU A 10 1.344 -6.186 7.949 1.00 13.44 O ATOM 177 CB GLU A 10 0.290 -9.029 9.258 1.00 35.35 C ATOM 178 CG GLU A 10 -0.825 -9.568 10.187 1.00 21.43 C ATOM 179 CD GLU A 10 -0.305 -10.565 11.247 1.00 55.13 C ATOM 180 OE1 GLU A 10 0.224 -10.117 12.289 1.00 51.41 O ATOM 181 OE2 GLU A 10 -0.391 -11.792 11.036 1.00 45.30 O ATOM 0 H GLU A 10 -0.872 -9.767 7.137 1.00 22.41 H new ATOM 0 HA GLU A 10 -0.851 -7.303 8.601 1.00 41.23 H new ATOM 0 HB2 GLU A 10 0.784 -9.875 8.781 1.00 35.35 H new ATOM 0 HB3 GLU A 10 1.039 -8.526 9.870 1.00 35.35 H new ATOM 0 HG2 GLU A 10 -1.306 -8.730 10.691 1.00 21.43 H new ATOM 0 HG3 GLU A 10 -1.589 -10.057 9.582 1.00 21.43 H new ATOM 188 N LYS A 11 1.705 -7.953 6.564 1.00 75.22 N ATOM 189 CA LYS A 11 2.808 -7.321 5.799 1.00 20.43 C ATOM 190 C LYS A 11 2.279 -6.107 5.002 1.00 21.41 C ATOM 191 O LYS A 11 2.925 -5.060 4.944 1.00 20.31 O ATOM 192 CB LYS A 11 3.471 -8.352 4.839 1.00 60.31 C ATOM 193 CG LYS A 11 4.576 -7.765 3.912 1.00 35.21 C ATOM 194 CD LYS A 11 5.197 -8.823 2.960 1.00 71.14 C ATOM 195 CE LYS A 11 6.144 -8.214 1.906 1.00 73.21 C ATOM 196 NZ LYS A 11 7.368 -7.630 2.506 1.00 22.01 N ATOM 0 H LYS A 11 1.510 -8.916 6.289 1.00 75.22 H new ATOM 0 HA LYS A 11 3.563 -6.975 6.505 1.00 20.43 H new ATOM 0 HB2 LYS A 11 3.905 -9.155 5.435 1.00 60.31 H new ATOM 0 HB3 LYS A 11 2.695 -8.800 4.218 1.00 60.31 H new ATOM 0 HG2 LYS A 11 4.152 -6.955 3.318 1.00 35.21 H new ATOM 0 HG3 LYS A 11 5.364 -7.330 4.526 1.00 35.21 H new ATOM 0 HD2 LYS A 11 5.746 -9.556 3.551 1.00 71.14 H new ATOM 0 HD3 LYS A 11 4.396 -9.359 2.452 1.00 71.14 H new ATOM 0 HE2 LYS A 11 6.428 -8.985 1.190 1.00 73.21 H new ATOM 0 HE3 LYS A 11 5.613 -7.442 1.349 1.00 73.21 H new ATOM 0 HZ1 LYS A 11 7.408 -6.613 2.292 1.00 22.01 H new ATOM 0 HZ2 LYS A 11 7.348 -7.767 3.537 1.00 22.01 H new ATOM 0 HZ3 LYS A 11 8.207 -8.100 2.110 1.00 22.01 H new ATOM 210 N LEU A 12 1.084 -6.274 4.414 1.00 24.35 N ATOM 211 CA LEU A 12 0.399 -5.216 3.650 1.00 52.24 C ATOM 212 C LEU A 12 -0.026 -4.044 4.598 1.00 50.11 C ATOM 213 O LEU A 12 0.169 -2.875 4.264 1.00 43.10 O ATOM 214 CB LEU A 12 -0.799 -5.860 2.882 1.00 55.03 C ATOM 215 CG LEU A 12 -1.487 -5.023 1.740 1.00 62.00 C ATOM 216 CD1 LEU A 12 -2.489 -3.986 2.282 1.00 73.23 C ATOM 217 CD2 LEU A 12 -0.438 -4.361 0.807 1.00 20.10 C ATOM 0 H LEU A 12 0.563 -7.150 4.454 1.00 24.35 H new ATOM 0 HA LEU A 12 1.068 -4.771 2.913 1.00 52.24 H new ATOM 0 HB2 LEU A 12 -0.450 -6.796 2.445 1.00 55.03 H new ATOM 0 HB3 LEU A 12 -1.565 -6.116 3.614 1.00 55.03 H new ATOM 0 HG LEU A 12 -2.064 -5.732 1.146 1.00 62.00 H new ATOM 0 HD11 LEU A 12 -2.932 -3.439 1.450 1.00 73.23 H new ATOM 0 HD12 LEU A 12 -3.274 -4.496 2.840 1.00 73.23 H new ATOM 0 HD13 LEU A 12 -1.971 -3.288 2.940 1.00 73.23 H new ATOM 0 HD21 LEU A 12 -0.949 -3.792 0.031 1.00 20.10 H new ATOM 0 HD22 LEU A 12 0.196 -3.693 1.389 1.00 20.10 H new ATOM 0 HD23 LEU A 12 0.177 -5.133 0.345 1.00 20.10 H new ATOM 229 N GLU A 13 -0.568 -4.389 5.786 1.00 51.20 N ATOM 230 CA GLU A 13 -0.909 -3.414 6.866 1.00 64.40 C ATOM 231 C GLU A 13 0.318 -2.600 7.324 1.00 12.44 C ATOM 232 O GLU A 13 0.217 -1.395 7.593 1.00 74.31 O ATOM 233 CB GLU A 13 -1.530 -4.153 8.094 1.00 50.21 C ATOM 234 CG GLU A 13 -3.034 -4.432 7.984 1.00 62.33 C ATOM 235 CD GLU A 13 -3.873 -3.141 7.926 1.00 33.02 C ATOM 236 OE1 GLU A 13 -4.118 -2.535 8.998 1.00 5.55 O ATOM 237 OE2 GLU A 13 -4.272 -2.709 6.818 1.00 23.43 O ATOM 0 H GLU A 13 -0.786 -5.355 6.032 1.00 51.20 H new ATOM 0 HA GLU A 13 -1.637 -2.719 6.447 1.00 64.40 H new ATOM 0 HB2 GLU A 13 -1.008 -5.100 8.232 1.00 50.21 H new ATOM 0 HB3 GLU A 13 -1.350 -3.556 8.988 1.00 50.21 H new ATOM 0 HG2 GLU A 13 -3.225 -5.026 7.090 1.00 62.33 H new ATOM 0 HG3 GLU A 13 -3.352 -5.030 8.838 1.00 62.33 H new ATOM 244 N LYS A 14 1.466 -3.291 7.413 1.00 72.50 N ATOM 245 CA LYS A 14 2.748 -2.680 7.791 1.00 33.54 C ATOM 246 C LYS A 14 3.139 -1.565 6.795 1.00 73.31 C ATOM 247 O LYS A 14 3.570 -0.481 7.205 1.00 51.04 O ATOM 248 CB LYS A 14 3.847 -3.773 7.865 1.00 51.34 C ATOM 249 CG LYS A 14 5.220 -3.263 8.331 1.00 21.14 C ATOM 250 CD LYS A 14 6.302 -4.366 8.369 1.00 1.35 C ATOM 251 CE LYS A 14 7.669 -3.815 8.794 1.00 13.41 C ATOM 252 NZ LYS A 14 8.146 -2.752 7.876 1.00 4.43 N ATOM 0 H LYS A 14 1.530 -4.291 7.224 1.00 72.50 H new ATOM 0 HA LYS A 14 2.646 -2.221 8.774 1.00 33.54 H new ATOM 0 HB2 LYS A 14 3.515 -4.559 8.544 1.00 51.34 H new ATOM 0 HB3 LYS A 14 3.957 -4.228 6.880 1.00 51.34 H new ATOM 0 HG2 LYS A 14 5.548 -2.465 7.665 1.00 21.14 H new ATOM 0 HG3 LYS A 14 5.120 -2.828 9.325 1.00 21.14 H new ATOM 0 HD2 LYS A 14 5.996 -5.150 9.061 1.00 1.35 H new ATOM 0 HD3 LYS A 14 6.386 -4.825 7.384 1.00 1.35 H new ATOM 0 HE2 LYS A 14 7.601 -3.417 9.806 1.00 13.41 H new ATOM 0 HE3 LYS A 14 8.396 -4.627 8.819 1.00 13.41 H new ATOM 0 HZ1 LYS A 14 9.110 -2.977 7.556 1.00 4.43 H new ATOM 0 HZ2 LYS A 14 7.512 -2.694 7.053 1.00 4.43 H new ATOM 0 HZ3 LYS A 14 8.151 -1.839 8.374 1.00 4.43 H new ATOM 266 N ILE A 15 2.923 -1.840 5.494 1.00 22.21 N ATOM 267 CA ILE A 15 3.176 -0.874 4.406 1.00 51.13 C ATOM 268 C ILE A 15 2.297 0.376 4.574 1.00 25.22 C ATOM 269 O ILE A 15 2.799 1.493 4.565 1.00 43.33 O ATOM 270 CB ILE A 15 2.905 -1.496 2.979 1.00 50.31 C ATOM 271 CG1 ILE A 15 3.675 -2.843 2.788 1.00 33.40 C ATOM 272 CG2 ILE A 15 3.253 -0.486 1.862 1.00 10.40 C ATOM 273 CD1 ILE A 15 5.130 -2.811 3.213 1.00 23.10 C ATOM 0 H ILE A 15 2.568 -2.739 5.167 1.00 22.21 H new ATOM 0 HA ILE A 15 4.230 -0.604 4.472 1.00 51.13 H new ATOM 0 HB ILE A 15 1.840 -1.718 2.909 1.00 50.31 H new ATOM 0 HG12 ILE A 15 3.163 -3.621 3.354 1.00 33.40 H new ATOM 0 HG13 ILE A 15 3.624 -3.128 1.737 1.00 33.40 H new ATOM 0 HG21 ILE A 15 3.058 -0.938 0.889 1.00 10.40 H new ATOM 0 HG22 ILE A 15 2.640 0.408 1.976 1.00 10.40 H new ATOM 0 HG23 ILE A 15 4.307 -0.215 1.932 1.00 10.40 H new ATOM 0 HD11 ILE A 15 5.580 -3.789 3.043 1.00 23.10 H new ATOM 0 HD12 ILE A 15 5.663 -2.060 2.630 1.00 23.10 H new ATOM 0 HD13 ILE A 15 5.194 -2.561 4.272 1.00 23.10 H new ATOM 285 N LEU A 16 0.986 0.138 4.755 1.00 2.43 N ATOM 286 CA LEU A 16 -0.048 1.194 4.898 1.00 33.14 C ATOM 287 C LEU A 16 0.275 2.190 6.043 1.00 61.14 C ATOM 288 O LEU A 16 0.049 3.392 5.910 1.00 1.24 O ATOM 289 CB LEU A 16 -1.450 0.531 5.093 1.00 30.02 C ATOM 290 CG LEU A 16 -2.240 0.163 3.784 1.00 3.11 C ATOM 291 CD1 LEU A 16 -1.361 -0.552 2.737 1.00 43.34 C ATOM 292 CD2 LEU A 16 -3.488 -0.688 4.119 1.00 25.43 C ATOM 0 H LEU A 16 0.603 -0.806 4.808 1.00 2.43 H new ATOM 0 HA LEU A 16 -0.057 1.784 3.982 1.00 33.14 H new ATOM 0 HB2 LEU A 16 -1.319 -0.378 5.679 1.00 30.02 H new ATOM 0 HB3 LEU A 16 -2.067 1.206 5.686 1.00 30.02 H new ATOM 0 HG LEU A 16 -2.561 1.104 3.337 1.00 3.11 H new ATOM 0 HD11 LEU A 16 -1.959 -0.781 1.855 1.00 43.34 H new ATOM 0 HD12 LEU A 16 -0.532 0.097 2.454 1.00 43.34 H new ATOM 0 HD13 LEU A 16 -0.970 -1.477 3.161 1.00 43.34 H new ATOM 0 HD21 LEU A 16 -4.020 -0.931 3.199 1.00 25.43 H new ATOM 0 HD22 LEU A 16 -3.179 -1.609 4.614 1.00 25.43 H new ATOM 0 HD23 LEU A 16 -4.146 -0.124 4.780 1.00 25.43 H new ATOM 304 N ASP A 17 0.827 1.670 7.143 1.00 50.31 N ATOM 305 CA ASP A 17 1.221 2.478 8.315 1.00 54.40 C ATOM 306 C ASP A 17 2.451 3.383 8.009 1.00 11.55 C ATOM 307 O ASP A 17 2.483 4.561 8.385 1.00 64.34 O ATOM 308 CB ASP A 17 1.501 1.522 9.498 1.00 14.31 C ATOM 309 CG ASP A 17 1.902 2.235 10.803 1.00 62.13 C ATOM 310 OD1 ASP A 17 1.060 2.960 11.377 1.00 34.14 O ATOM 311 OD2 ASP A 17 3.055 2.068 11.266 1.00 32.24 O ATOM 0 H ASP A 17 1.016 0.674 7.252 1.00 50.31 H new ATOM 0 HA ASP A 17 0.406 3.154 8.575 1.00 54.40 H new ATOM 0 HB2 ASP A 17 0.611 0.921 9.684 1.00 14.31 H new ATOM 0 HB3 ASP A 17 2.297 0.833 9.214 1.00 14.31 H new ATOM 316 N GLU A 18 3.447 2.814 7.310 1.00 72.14 N ATOM 317 CA GLU A 18 4.723 3.507 7.000 1.00 43.25 C ATOM 318 C GLU A 18 4.612 4.471 5.783 1.00 64.32 C ATOM 319 O GLU A 18 5.324 5.477 5.724 1.00 22.32 O ATOM 320 CB GLU A 18 5.828 2.454 6.745 1.00 31.31 C ATOM 321 CG GLU A 18 6.071 1.485 7.924 1.00 15.23 C ATOM 322 CD GLU A 18 7.003 0.308 7.578 1.00 22.21 C ATOM 323 OE1 GLU A 18 6.620 -0.537 6.739 1.00 64.40 O ATOM 324 OE2 GLU A 18 8.100 0.192 8.169 1.00 74.11 O ATOM 0 H GLU A 18 3.398 1.864 6.942 1.00 72.14 H new ATOM 0 HA GLU A 18 4.976 4.124 7.862 1.00 43.25 H new ATOM 0 HB2 GLU A 18 5.562 1.873 5.862 1.00 31.31 H new ATOM 0 HB3 GLU A 18 6.760 2.971 6.518 1.00 31.31 H new ATOM 0 HG2 GLU A 18 6.498 2.042 8.758 1.00 15.23 H new ATOM 0 HG3 GLU A 18 5.113 1.091 8.262 1.00 15.23 H new ATOM 331 N VAL A 19 3.730 4.153 4.811 1.00 20.01 N ATOM 332 CA VAL A 19 3.595 4.949 3.557 1.00 55.35 C ATOM 333 C VAL A 19 2.780 6.247 3.797 1.00 22.13 C ATOM 334 O VAL A 19 3.008 7.252 3.132 1.00 1.54 O ATOM 335 CB VAL A 19 2.981 4.105 2.369 1.00 33.04 C ATOM 336 CG1 VAL A 19 1.514 3.708 2.627 1.00 12.25 C ATOM 337 CG2 VAL A 19 3.140 4.836 1.010 1.00 12.54 C ATOM 0 H VAL A 19 3.099 3.353 4.864 1.00 20.01 H new ATOM 0 HA VAL A 19 4.604 5.232 3.258 1.00 55.35 H new ATOM 0 HB VAL A 19 3.552 3.178 2.316 1.00 33.04 H new ATOM 0 HG11 VAL A 19 1.139 3.130 1.782 1.00 12.25 H new ATOM 0 HG12 VAL A 19 1.454 3.106 3.533 1.00 12.25 H new ATOM 0 HG13 VAL A 19 0.910 4.607 2.748 1.00 12.25 H new ATOM 0 HG21 VAL A 19 2.707 4.227 0.216 1.00 12.54 H new ATOM 0 HG22 VAL A 19 2.627 5.797 1.051 1.00 12.54 H new ATOM 0 HG23 VAL A 19 4.198 4.999 0.806 1.00 12.54 H new ATOM 347 N THR A 20 1.833 6.209 4.763 1.00 24.02 N ATOM 348 CA THR A 20 1.085 7.414 5.215 1.00 55.40 C ATOM 349 C THR A 20 2.025 8.388 5.962 1.00 33.01 C ATOM 350 O THR A 20 1.925 9.607 5.811 1.00 24.21 O ATOM 351 CB THR A 20 -0.112 7.045 6.153 1.00 24.20 C ATOM 352 OG1 THR A 20 0.367 6.278 7.275 1.00 14.44 O ATOM 353 CG2 THR A 20 -1.204 6.251 5.409 1.00 61.42 C ATOM 0 H THR A 20 1.565 5.353 5.249 1.00 24.02 H new ATOM 0 HA THR A 20 0.688 7.892 4.319 1.00 55.40 H new ATOM 0 HB THR A 20 -0.558 7.976 6.501 1.00 24.20 H new ATOM 0 HG1 THR A 20 0.347 5.324 7.052 1.00 14.44 H new ATOM 0 HG21 THR A 20 -2.016 6.016 6.097 1.00 61.42 H new ATOM 0 HG22 THR A 20 -1.590 6.849 4.584 1.00 61.42 H new ATOM 0 HG23 THR A 20 -0.779 5.326 5.019 1.00 61.42 H new ATOM 361 N ASP A 21 2.928 7.814 6.775 1.00 74.30 N ATOM 362 CA ASP A 21 4.022 8.553 7.446 1.00 71.40 C ATOM 363 C ASP A 21 4.983 9.213 6.408 1.00 31.04 C ATOM 364 O ASP A 21 5.327 10.396 6.528 1.00 3.41 O ATOM 365 CB ASP A 21 4.785 7.570 8.376 1.00 62.31 C ATOM 366 CG ASP A 21 6.019 8.179 9.069 1.00 52.35 C ATOM 367 OD1 ASP A 21 5.852 8.929 10.054 1.00 60.52 O ATOM 368 OD2 ASP A 21 7.164 7.904 8.635 1.00 43.11 O ATOM 0 H ASP A 21 2.923 6.817 6.989 1.00 74.30 H new ATOM 0 HA ASP A 21 3.601 9.364 8.040 1.00 71.40 H new ATOM 0 HB2 ASP A 21 4.098 7.204 9.139 1.00 62.31 H new ATOM 0 HB3 ASP A 21 5.101 6.706 7.791 1.00 62.31 H new ATOM 373 N GLY A 22 5.382 8.431 5.386 1.00 70.20 N ATOM 374 CA GLY A 22 6.315 8.890 4.336 1.00 61.50 C ATOM 375 C GLY A 22 5.665 9.743 3.226 1.00 64.52 C ATOM 376 O GLY A 22 6.372 10.340 2.402 1.00 51.23 O ATOM 0 H GLY A 22 5.069 7.468 5.264 1.00 70.20 H new ATOM 0 HA2 GLY A 22 7.110 9.471 4.804 1.00 61.50 H new ATOM 0 HA3 GLY A 22 6.784 8.019 3.879 1.00 61.50 H new ATOM 380 N ALA A 23 4.321 9.772 3.197 1.00 51.53 N ATOM 381 CA ALA A 23 3.532 10.587 2.240 1.00 72.31 C ATOM 382 C ALA A 23 3.729 12.117 2.444 1.00 62.10 C ATOM 383 O ALA A 23 3.998 12.565 3.565 1.00 24.52 O ATOM 384 CB ALA A 23 2.037 10.249 2.382 1.00 14.41 C ATOM 0 H ALA A 23 3.743 9.229 3.838 1.00 51.53 H new ATOM 0 HA ALA A 23 3.892 10.340 1.241 1.00 72.31 H new ATOM 0 HB1 ALA A 23 1.460 10.849 1.678 1.00 14.41 H new ATOM 0 HB2 ALA A 23 1.881 9.191 2.170 1.00 14.41 H new ATOM 0 HB3 ALA A 23 1.710 10.467 3.398 1.00 14.41 H new ATOM 390 N PRO A 24 3.596 12.947 1.359 1.00 65.45 N ATOM 391 CA PRO A 24 3.419 14.416 1.495 1.00 62.03 C ATOM 392 C PRO A 24 2.034 14.752 2.086 1.00 73.02 C ATOM 393 O PRO A 24 1.157 13.900 2.096 1.00 62.51 O ATOM 394 CB PRO A 24 3.535 14.950 0.038 1.00 74.35 C ATOM 395 CG PRO A 24 4.092 13.811 -0.756 1.00 63.11 C ATOM 396 CD PRO A 24 3.634 12.546 -0.064 1.00 42.10 C ATOM 0 HA PRO A 24 4.153 14.862 2.167 1.00 62.03 H new ATOM 0 HB2 PRO A 24 2.563 15.259 -0.346 1.00 74.35 H new ATOM 0 HB3 PRO A 24 4.189 15.821 -0.011 1.00 74.35 H new ATOM 0 HG2 PRO A 24 3.734 13.843 -1.785 1.00 63.11 H new ATOM 0 HG3 PRO A 24 5.180 13.860 -0.796 1.00 63.11 H new ATOM 0 HD2 PRO A 24 2.656 12.222 -0.419 1.00 42.10 H new ATOM 0 HD3 PRO A 24 4.324 11.720 -0.233 1.00 42.10 H new ATOM 404 N ASP A 25 1.831 16.002 2.529 1.00 21.10 N ATOM 405 CA ASP A 25 0.515 16.454 3.056 1.00 43.30 C ATOM 406 C ASP A 25 -0.592 16.425 1.966 1.00 20.45 C ATOM 407 O ASP A 25 -1.772 16.245 2.282 1.00 5.23 O ATOM 408 CB ASP A 25 0.651 17.857 3.690 1.00 63.23 C ATOM 409 CG ASP A 25 1.648 17.861 4.858 1.00 44.51 C ATOM 410 OD1 ASP A 25 1.288 17.382 5.953 1.00 45.24 O ATOM 411 OD2 ASP A 25 2.805 18.303 4.681 1.00 33.13 O ATOM 0 H ASP A 25 2.553 16.723 2.537 1.00 21.10 H new ATOM 0 HA ASP A 25 0.203 15.752 3.830 1.00 43.30 H new ATOM 0 HB2 ASP A 25 0.977 18.569 2.931 1.00 63.23 H new ATOM 0 HB3 ASP A 25 -0.324 18.192 4.043 1.00 63.23 H new ATOM 416 N GLU A 26 -0.195 16.577 0.684 1.00 65.32 N ATOM 417 CA GLU A 26 -1.119 16.425 -0.465 1.00 63.31 C ATOM 418 C GLU A 26 -1.569 14.950 -0.631 1.00 11.32 C ATOM 419 O GLU A 26 -2.724 14.614 -0.355 1.00 1.11 O ATOM 420 CB GLU A 26 -0.458 16.926 -1.779 1.00 15.42 C ATOM 421 CG GLU A 26 -0.016 18.401 -1.757 1.00 52.12 C ATOM 422 CD GLU A 26 0.423 18.939 -3.137 1.00 3.00 C ATOM 423 OE1 GLU A 26 -0.439 19.077 -4.030 1.00 60.41 O ATOM 424 OE2 GLU A 26 1.624 19.244 -3.326 1.00 62.24 O ATOM 0 H GLU A 26 0.762 16.806 0.416 1.00 65.32 H new ATOM 0 HA GLU A 26 -1.999 17.035 -0.259 1.00 63.31 H new ATOM 0 HB2 GLU A 26 0.411 16.304 -1.992 1.00 15.42 H new ATOM 0 HB3 GLU A 26 -1.161 16.784 -2.600 1.00 15.42 H new ATOM 0 HG2 GLU A 26 -0.838 19.012 -1.384 1.00 52.12 H new ATOM 0 HG3 GLU A 26 0.809 18.513 -1.054 1.00 52.12 H new ATOM 431 N ALA A 27 -0.620 14.072 -1.042 1.00 73.21 N ATOM 432 CA ALA A 27 -0.878 12.631 -1.309 1.00 54.31 C ATOM 433 C ALA A 27 -1.262 11.834 -0.036 1.00 61.32 C ATOM 434 O ALA A 27 -1.686 10.680 -0.142 1.00 53.21 O ATOM 435 CB ALA A 27 0.342 12.004 -1.997 1.00 31.12 C ATOM 0 H ALA A 27 0.351 14.343 -1.199 1.00 73.21 H new ATOM 0 HA ALA A 27 -1.742 12.576 -1.971 1.00 54.31 H new ATOM 0 HB1 ALA A 27 0.148 10.949 -2.190 1.00 31.12 H new ATOM 0 HB2 ALA A 27 0.532 12.517 -2.940 1.00 31.12 H new ATOM 0 HB3 ALA A 27 1.214 12.100 -1.350 1.00 31.12 H new ATOM 441 N ARG A 28 -1.109 12.468 1.148 1.00 64.23 N ATOM 442 CA ARG A 28 -1.545 11.919 2.452 1.00 73.22 C ATOM 443 C ARG A 28 -3.008 11.439 2.386 1.00 5.34 C ATOM 444 O ARG A 28 -3.304 10.278 2.635 1.00 12.21 O ATOM 445 CB ARG A 28 -1.449 13.018 3.553 1.00 35.42 C ATOM 446 CG ARG A 28 -1.525 12.501 5.014 1.00 41.03 C ATOM 447 CD ARG A 28 -0.138 12.195 5.600 1.00 64.04 C ATOM 448 NE ARG A 28 0.694 13.414 5.692 1.00 5.03 N ATOM 449 CZ ARG A 28 1.972 13.447 6.011 1.00 74.11 C ATOM 450 NH1 ARG A 28 2.643 12.361 6.257 1.00 35.22 N ATOM 451 NH2 ARG A 28 2.579 14.587 6.074 1.00 62.32 N ATOM 0 H ARG A 28 -0.674 13.387 1.226 1.00 64.23 H new ATOM 0 HA ARG A 28 -0.893 11.079 2.691 1.00 73.22 H new ATOM 0 HB2 ARG A 28 -0.510 13.557 3.424 1.00 35.42 H new ATOM 0 HB3 ARG A 28 -2.254 13.737 3.397 1.00 35.42 H new ATOM 0 HG2 ARG A 28 -2.022 13.246 5.635 1.00 41.03 H new ATOM 0 HG3 ARG A 28 -2.137 11.600 5.046 1.00 41.03 H new ATOM 0 HD2 ARG A 28 -0.250 11.754 6.591 1.00 64.04 H new ATOM 0 HD3 ARG A 28 0.366 11.456 4.977 1.00 64.04 H new ATOM 0 HE ARG A 28 0.240 14.305 5.491 1.00 5.03 H new ATOM 0 HH11 ARG A 28 2.181 11.453 6.205 1.00 35.22 H new ATOM 0 HH12 ARG A 28 3.632 12.417 6.502 1.00 35.22 H new ATOM 0 HH21 ARG A 28 2.069 15.448 5.878 1.00 62.32 H new ATOM 0 HH22 ARG A 28 3.568 14.625 6.320 1.00 62.32 H new ATOM 465 N GLU A 29 -3.882 12.375 1.972 1.00 54.22 N ATOM 466 CA GLU A 29 -5.347 12.200 1.948 1.00 53.04 C ATOM 467 C GLU A 29 -5.799 11.040 1.026 1.00 23.53 C ATOM 468 O GLU A 29 -6.808 10.381 1.298 1.00 22.15 O ATOM 469 CB GLU A 29 -6.001 13.540 1.518 1.00 24.33 C ATOM 470 CG GLU A 29 -5.645 14.733 2.435 1.00 33.45 C ATOM 471 CD GLU A 29 -6.363 16.036 2.045 1.00 73.12 C ATOM 472 OE1 GLU A 29 -7.522 16.235 2.468 1.00 3.00 O ATOM 473 OE2 GLU A 29 -5.775 16.862 1.313 1.00 2.25 O ATOM 0 H GLU A 29 -3.584 13.292 1.638 1.00 54.22 H new ATOM 0 HA GLU A 29 -5.675 11.927 2.951 1.00 53.04 H new ATOM 0 HB2 GLU A 29 -5.693 13.773 0.499 1.00 24.33 H new ATOM 0 HB3 GLU A 29 -7.084 13.416 1.503 1.00 24.33 H new ATOM 0 HG2 GLU A 29 -5.900 14.480 3.464 1.00 33.45 H new ATOM 0 HG3 GLU A 29 -4.568 14.897 2.405 1.00 33.45 H new ATOM 480 N ARG A 30 -5.026 10.796 -0.053 1.00 4.03 N ATOM 481 CA ARG A 30 -5.275 9.677 -0.988 1.00 5.24 C ATOM 482 C ARG A 30 -5.053 8.316 -0.290 1.00 34.34 C ATOM 483 O ARG A 30 -5.897 7.410 -0.363 1.00 30.14 O ATOM 484 CB ARG A 30 -4.348 9.797 -2.234 1.00 24.21 C ATOM 485 CG ARG A 30 -4.701 8.846 -3.403 1.00 1.10 C ATOM 486 CD ARG A 30 -6.122 9.098 -3.941 1.00 71.11 C ATOM 487 NE ARG A 30 -6.451 8.241 -5.087 1.00 45.35 N ATOM 488 CZ ARG A 30 -7.653 8.086 -5.598 1.00 61.21 C ATOM 489 NH1 ARG A 30 -8.688 8.664 -5.078 1.00 52.52 N ATOM 490 NH2 ARG A 30 -7.812 7.338 -6.634 1.00 14.23 N ATOM 0 H ARG A 30 -4.216 11.365 -0.300 1.00 4.03 H new ATOM 0 HA ARG A 30 -6.314 9.731 -1.313 1.00 5.24 H new ATOM 0 HB2 ARG A 30 -4.383 10.824 -2.597 1.00 24.21 H new ATOM 0 HB3 ARG A 30 -3.321 9.603 -1.925 1.00 24.21 H new ATOM 0 HG2 ARG A 30 -3.979 8.978 -4.209 1.00 1.10 H new ATOM 0 HG3 ARG A 30 -4.618 7.812 -3.067 1.00 1.10 H new ATOM 0 HD2 ARG A 30 -6.845 8.925 -3.143 1.00 71.11 H new ATOM 0 HD3 ARG A 30 -6.215 10.143 -4.235 1.00 71.11 H new ATOM 0 HE ARG A 30 -5.686 7.725 -5.522 1.00 45.35 H new ATOM 0 HH11 ARG A 30 -8.582 9.255 -4.254 1.00 52.52 H new ATOM 0 HH12 ARG A 30 -9.610 8.528 -5.493 1.00 52.52 H new ATOM 0 HH21 ARG A 30 -7.009 6.870 -7.053 1.00 14.23 H new ATOM 0 HH22 ARG A 30 -8.741 7.213 -7.035 1.00 14.23 H new ATOM 504 N ILE A 31 -3.910 8.212 0.411 1.00 32.52 N ATOM 505 CA ILE A 31 -3.496 6.968 1.089 1.00 31.10 C ATOM 506 C ILE A 31 -4.346 6.707 2.362 1.00 21.03 C ATOM 507 O ILE A 31 -4.694 5.571 2.631 1.00 10.03 O ATOM 508 CB ILE A 31 -1.964 6.978 1.470 1.00 13.42 C ATOM 509 CG1 ILE A 31 -1.098 7.497 0.277 1.00 43.12 C ATOM 510 CG2 ILE A 31 -1.500 5.559 1.899 1.00 11.21 C ATOM 511 CD1 ILE A 31 0.406 7.516 0.515 1.00 42.42 C ATOM 0 H ILE A 31 -3.250 8.982 0.524 1.00 32.52 H new ATOM 0 HA ILE A 31 -3.665 6.161 0.376 1.00 31.10 H new ATOM 0 HB ILE A 31 -1.828 7.657 2.312 1.00 13.42 H new ATOM 0 HG12 ILE A 31 -1.302 6.875 -0.594 1.00 43.12 H new ATOM 0 HG13 ILE A 31 -1.421 8.508 0.029 1.00 43.12 H new ATOM 0 HG21 ILE A 31 -0.442 5.585 2.158 1.00 11.21 H new ATOM 0 HG22 ILE A 31 -2.077 5.234 2.764 1.00 11.21 H new ATOM 0 HG23 ILE A 31 -1.655 4.861 1.076 1.00 11.21 H new ATOM 0 HD11 ILE A 31 0.910 7.893 -0.375 1.00 42.42 H new ATOM 0 HD12 ILE A 31 0.632 8.164 1.362 1.00 42.42 H new ATOM 0 HD13 ILE A 31 0.753 6.505 0.728 1.00 42.42 H new ATOM 523 N GLU A 32 -4.680 7.778 3.115 1.00 12.15 N ATOM 524 CA GLU A 32 -5.492 7.702 4.366 1.00 4.41 C ATOM 525 C GLU A 32 -6.874 7.048 4.120 1.00 10.24 C ATOM 526 O GLU A 32 -7.320 6.186 4.894 1.00 4.03 O ATOM 527 CB GLU A 32 -5.674 9.133 4.965 1.00 30.31 C ATOM 528 CG GLU A 32 -4.404 9.758 5.591 1.00 11.21 C ATOM 529 CD GLU A 32 -4.056 9.173 6.973 1.00 52.13 C ATOM 530 OE1 GLU A 32 -3.418 8.107 7.046 1.00 42.12 O ATOM 531 OE2 GLU A 32 -4.443 9.778 7.998 1.00 54.42 O ATOM 0 H GLU A 32 -4.396 8.728 2.877 1.00 12.15 H new ATOM 0 HA GLU A 32 -4.954 7.072 5.075 1.00 4.41 H new ATOM 0 HB2 GLU A 32 -6.033 9.795 4.177 1.00 30.31 H new ATOM 0 HB3 GLU A 32 -6.452 9.093 5.727 1.00 30.31 H new ATOM 0 HG2 GLU A 32 -3.562 9.605 4.917 1.00 11.21 H new ATOM 0 HG3 GLU A 32 -4.546 10.835 5.685 1.00 11.21 H new ATOM 538 N LYS A 33 -7.536 7.477 3.030 1.00 0.11 N ATOM 539 CA LYS A 33 -8.847 6.938 2.622 1.00 23.30 C ATOM 540 C LYS A 33 -8.740 5.458 2.187 1.00 61.33 C ATOM 541 O LYS A 33 -9.394 4.583 2.772 1.00 23.31 O ATOM 542 CB LYS A 33 -9.442 7.805 1.473 1.00 64.31 C ATOM 543 CG LYS A 33 -9.844 9.239 1.895 1.00 5.40 C ATOM 544 CD LYS A 33 -10.953 9.247 2.970 1.00 23.44 C ATOM 545 CE LYS A 33 -11.328 10.659 3.456 1.00 23.41 C ATOM 546 NZ LYS A 33 -12.365 10.611 4.520 1.00 2.25 N ATOM 0 H LYS A 33 -7.179 8.204 2.409 1.00 0.11 H new ATOM 0 HA LYS A 33 -9.515 6.979 3.483 1.00 23.30 H new ATOM 0 HB2 LYS A 33 -8.711 7.868 0.667 1.00 64.31 H new ATOM 0 HB3 LYS A 33 -10.319 7.299 1.070 1.00 64.31 H new ATOM 0 HG2 LYS A 33 -8.967 9.762 2.277 1.00 5.40 H new ATOM 0 HG3 LYS A 33 -10.187 9.790 1.019 1.00 5.40 H new ATOM 0 HD2 LYS A 33 -11.842 8.762 2.567 1.00 23.44 H new ATOM 0 HD3 LYS A 33 -10.625 8.653 3.823 1.00 23.44 H new ATOM 0 HE2 LYS A 33 -10.439 11.162 3.835 1.00 23.41 H new ATOM 0 HE3 LYS A 33 -11.694 11.249 2.616 1.00 23.41 H new ATOM 0 HZ1 LYS A 33 -12.595 11.578 4.825 1.00 2.25 H new ATOM 0 HZ2 LYS A 33 -13.222 10.152 4.149 1.00 2.25 H new ATOM 0 HZ3 LYS A 33 -12.005 10.069 5.331 1.00 2.25 H new ATOM 560 N LEU A 34 -7.859 5.189 1.205 1.00 14.02 N ATOM 561 CA LEU A 34 -7.736 3.853 0.574 1.00 14.44 C ATOM 562 C LEU A 34 -7.200 2.782 1.561 1.00 63.40 C ATOM 563 O LEU A 34 -7.653 1.633 1.541 1.00 72.21 O ATOM 564 CB LEU A 34 -6.845 3.943 -0.698 1.00 71.25 C ATOM 565 CG LEU A 34 -6.749 2.639 -1.564 1.00 22.25 C ATOM 566 CD1 LEU A 34 -8.154 2.127 -1.963 1.00 73.35 C ATOM 567 CD2 LEU A 34 -5.864 2.862 -2.817 1.00 52.23 C ATOM 0 H LEU A 34 -7.215 5.883 0.826 1.00 14.02 H new ATOM 0 HA LEU A 34 -8.736 3.531 0.282 1.00 14.44 H new ATOM 0 HB2 LEU A 34 -7.226 4.747 -1.328 1.00 71.25 H new ATOM 0 HB3 LEU A 34 -5.838 4.228 -0.393 1.00 71.25 H new ATOM 0 HG LEU A 34 -6.275 1.872 -0.952 1.00 22.25 H new ATOM 0 HD11 LEU A 34 -8.055 1.222 -2.563 1.00 73.35 H new ATOM 0 HD12 LEU A 34 -8.729 1.905 -1.064 1.00 73.35 H new ATOM 0 HD13 LEU A 34 -8.669 2.892 -2.544 1.00 73.35 H new ATOM 0 HD21 LEU A 34 -5.816 1.941 -3.397 1.00 52.23 H new ATOM 0 HD22 LEU A 34 -6.293 3.655 -3.429 1.00 52.23 H new ATOM 0 HD23 LEU A 34 -4.859 3.148 -2.506 1.00 52.23 H new ATOM 579 N ALA A 35 -6.257 3.188 2.435 1.00 2.31 N ATOM 580 CA ALA A 35 -5.664 2.305 3.472 1.00 62.00 C ATOM 581 C ALA A 35 -6.733 1.770 4.441 1.00 2.14 C ATOM 582 O ALA A 35 -6.765 0.570 4.724 1.00 63.42 O ATOM 583 CB ALA A 35 -4.562 3.034 4.264 1.00 73.20 C ATOM 0 H ALA A 35 -5.882 4.136 2.446 1.00 2.31 H new ATOM 0 HA ALA A 35 -5.219 1.459 2.948 1.00 62.00 H new ATOM 0 HB1 ALA A 35 -4.148 2.361 5.015 1.00 73.20 H new ATOM 0 HB2 ALA A 35 -3.771 3.348 3.583 1.00 73.20 H new ATOM 0 HB3 ALA A 35 -4.986 3.910 4.756 1.00 73.20 H new ATOM 589 N LYS A 36 -7.606 2.680 4.929 1.00 53.04 N ATOM 590 CA LYS A 36 -8.719 2.322 5.836 1.00 45.40 C ATOM 591 C LYS A 36 -9.703 1.333 5.163 1.00 60.33 C ATOM 592 O LYS A 36 -10.156 0.374 5.800 1.00 53.41 O ATOM 593 CB LYS A 36 -9.488 3.589 6.297 1.00 75.53 C ATOM 594 CG LYS A 36 -10.587 3.287 7.340 1.00 31.45 C ATOM 595 CD LYS A 36 -11.487 4.494 7.685 1.00 15.11 C ATOM 596 CE LYS A 36 -12.614 4.103 8.660 1.00 1.04 C ATOM 597 NZ LYS A 36 -13.420 2.951 8.153 1.00 11.52 N ATOM 0 H LYS A 36 -7.560 3.675 4.707 1.00 53.04 H new ATOM 0 HA LYS A 36 -8.280 1.835 6.707 1.00 45.40 H new ATOM 0 HB2 LYS A 36 -8.780 4.302 6.720 1.00 75.53 H new ATOM 0 HB3 LYS A 36 -9.941 4.067 5.429 1.00 75.53 H new ATOM 0 HG2 LYS A 36 -11.213 2.477 6.966 1.00 31.45 H new ATOM 0 HG3 LYS A 36 -10.115 2.928 8.254 1.00 31.45 H new ATOM 0 HD2 LYS A 36 -10.881 5.285 8.127 1.00 15.11 H new ATOM 0 HD3 LYS A 36 -11.921 4.898 6.770 1.00 15.11 H new ATOM 0 HE2 LYS A 36 -12.183 3.846 9.628 1.00 1.04 H new ATOM 0 HE3 LYS A 36 -13.268 4.960 8.820 1.00 1.04 H new ATOM 0 HZ1 LYS A 36 -14.426 3.113 8.361 1.00 11.52 H new ATOM 0 HZ2 LYS A 36 -13.289 2.861 7.125 1.00 11.52 H new ATOM 0 HZ3 LYS A 36 -13.107 2.076 8.620 1.00 11.52 H new ATOM 611 N ASP A 37 -10.002 1.571 3.865 1.00 14.25 N ATOM 612 CA ASP A 37 -10.899 0.693 3.070 1.00 64.32 C ATOM 613 C ASP A 37 -10.365 -0.757 3.011 1.00 52.25 C ATOM 614 O ASP A 37 -11.139 -1.712 3.104 1.00 70.24 O ATOM 615 CB ASP A 37 -11.087 1.242 1.630 1.00 62.54 C ATOM 616 CG ASP A 37 -11.687 2.657 1.582 1.00 20.32 C ATOM 617 OD1 ASP A 37 -12.585 2.970 2.399 1.00 31.11 O ATOM 618 OD2 ASP A 37 -11.282 3.456 0.707 1.00 51.13 O ATOM 0 H ASP A 37 -9.635 2.366 3.342 1.00 14.25 H new ATOM 0 HA ASP A 37 -11.866 0.685 3.573 1.00 64.32 H new ATOM 0 HB2 ASP A 37 -10.121 1.249 1.124 1.00 62.54 H new ATOM 0 HB3 ASP A 37 -11.734 0.564 1.073 1.00 62.54 H new ATOM 623 N VAL A 38 -9.027 -0.895 2.876 1.00 74.04 N ATOM 624 CA VAL A 38 -8.343 -2.211 2.893 1.00 44.40 C ATOM 625 C VAL A 38 -8.540 -2.919 4.263 1.00 45.01 C ATOM 626 O VAL A 38 -8.761 -4.120 4.307 1.00 14.22 O ATOM 627 CB VAL A 38 -6.797 -2.094 2.571 1.00 61.13 C ATOM 628 CG1 VAL A 38 -6.101 -3.479 2.577 1.00 24.41 C ATOM 629 CG2 VAL A 38 -6.546 -1.369 1.226 1.00 1.32 C ATOM 0 H VAL A 38 -8.394 -0.105 2.753 1.00 74.04 H new ATOM 0 HA VAL A 38 -8.802 -2.809 2.105 1.00 44.40 H new ATOM 0 HB VAL A 38 -6.357 -1.493 3.367 1.00 61.13 H new ATOM 0 HG11 VAL A 38 -5.042 -3.355 2.352 1.00 24.41 H new ATOM 0 HG12 VAL A 38 -6.212 -3.938 3.560 1.00 24.41 H new ATOM 0 HG13 VAL A 38 -6.559 -4.120 1.824 1.00 24.41 H new ATOM 0 HG21 VAL A 38 -5.474 -1.308 1.040 1.00 1.32 H new ATOM 0 HG22 VAL A 38 -7.023 -1.924 0.419 1.00 1.32 H new ATOM 0 HG23 VAL A 38 -6.964 -0.363 1.271 1.00 1.32 H new ATOM 639 N LYS A 39 -8.500 -2.148 5.367 1.00 42.41 N ATOM 640 CA LYS A 39 -8.693 -2.690 6.744 1.00 31.34 C ATOM 641 C LYS A 39 -10.134 -3.223 6.941 1.00 60.03 C ATOM 642 O LYS A 39 -10.356 -4.220 7.639 1.00 42.22 O ATOM 643 CB LYS A 39 -8.371 -1.596 7.798 1.00 35.53 C ATOM 644 CG LYS A 39 -7.024 -0.903 7.548 1.00 22.44 C ATOM 645 CD LYS A 39 -6.670 0.206 8.560 1.00 24.23 C ATOM 646 CE LYS A 39 -5.421 0.992 8.120 1.00 51.31 C ATOM 647 NZ LYS A 39 -4.281 0.091 7.784 1.00 32.12 N ATOM 0 H LYS A 39 -8.335 -1.142 5.341 1.00 42.41 H new ATOM 0 HA LYS A 39 -8.007 -3.526 6.879 1.00 31.34 H new ATOM 0 HB2 LYS A 39 -9.165 -0.849 7.793 1.00 35.53 H new ATOM 0 HB3 LYS A 39 -8.364 -2.046 8.791 1.00 35.53 H new ATOM 0 HG2 LYS A 39 -6.236 -1.655 7.564 1.00 22.44 H new ATOM 0 HG3 LYS A 39 -7.033 -0.472 6.547 1.00 22.44 H new ATOM 0 HD2 LYS A 39 -7.513 0.889 8.663 1.00 24.23 H new ATOM 0 HD3 LYS A 39 -6.496 -0.237 9.541 1.00 24.23 H new ATOM 0 HE2 LYS A 39 -5.666 1.605 7.253 1.00 51.31 H new ATOM 0 HE3 LYS A 39 -5.122 1.673 8.917 1.00 51.31 H new ATOM 0 HZ1 LYS A 39 -3.397 0.639 7.775 1.00 32.12 H new ATOM 0 HZ2 LYS A 39 -4.213 -0.664 8.496 1.00 32.12 H new ATOM 0 HZ3 LYS A 39 -4.437 -0.331 6.846 1.00 32.12 H new ATOM 661 N ASP A 40 -11.106 -2.543 6.305 1.00 34.44 N ATOM 662 CA ASP A 40 -12.515 -2.989 6.274 1.00 63.44 C ATOM 663 C ASP A 40 -12.688 -4.275 5.403 1.00 3.33 C ATOM 664 O ASP A 40 -13.556 -5.106 5.675 1.00 14.40 O ATOM 665 CB ASP A 40 -13.426 -1.846 5.751 1.00 21.13 C ATOM 666 CG ASP A 40 -13.370 -0.573 6.623 1.00 11.40 C ATOM 667 OD1 ASP A 40 -13.636 -0.665 7.838 1.00 42.22 O ATOM 668 OD2 ASP A 40 -13.075 0.524 6.104 1.00 54.10 O ATOM 0 H ASP A 40 -10.940 -1.673 5.800 1.00 34.44 H new ATOM 0 HA ASP A 40 -12.813 -3.240 7.292 1.00 63.44 H new ATOM 0 HB2 ASP A 40 -13.132 -1.593 4.732 1.00 21.13 H new ATOM 0 HB3 ASP A 40 -14.455 -2.203 5.706 1.00 21.13 H new ATOM 673 N GLU A 41 -11.853 -4.405 4.348 1.00 62.15 N ATOM 674 CA GLU A 41 -11.805 -5.606 3.461 1.00 71.21 C ATOM 675 C GLU A 41 -11.102 -6.803 4.148 1.00 45.12 C ATOM 676 O GLU A 41 -11.396 -7.962 3.855 1.00 63.35 O ATOM 677 CB GLU A 41 -11.076 -5.240 2.139 1.00 43.44 C ATOM 678 CG GLU A 41 -11.834 -4.237 1.248 1.00 53.50 C ATOM 679 CD GLU A 41 -13.041 -4.861 0.527 1.00 1.14 C ATOM 680 OE1 GLU A 41 -12.829 -5.666 -0.404 1.00 62.25 O ATOM 681 OE2 GLU A 41 -14.196 -4.560 0.885 1.00 3.54 O ATOM 0 H GLU A 41 -11.187 -3.680 4.080 1.00 62.15 H new ATOM 0 HA GLU A 41 -12.829 -5.913 3.247 1.00 71.21 H new ATOM 0 HB2 GLU A 41 -10.098 -4.824 2.381 1.00 43.44 H new ATOM 0 HB3 GLU A 41 -10.902 -6.153 1.570 1.00 43.44 H new ATOM 0 HG2 GLU A 41 -12.176 -3.403 1.860 1.00 53.50 H new ATOM 0 HG3 GLU A 41 -11.147 -3.828 0.507 1.00 53.50 H new ATOM 688 N LEU A 42 -10.154 -6.499 5.045 1.00 4.23 N ATOM 689 CA LEU A 42 -9.490 -7.503 5.914 1.00 65.31 C ATOM 690 C LEU A 42 -10.496 -8.089 6.931 1.00 32.53 C ATOM 691 O LEU A 42 -10.504 -9.297 7.197 1.00 1.22 O ATOM 692 CB LEU A 42 -8.264 -6.853 6.629 1.00 50.41 C ATOM 693 CG LEU A 42 -6.878 -7.000 5.917 1.00 74.31 C ATOM 694 CD1 LEU A 42 -6.937 -6.701 4.402 1.00 72.22 C ATOM 695 CD2 LEU A 42 -5.821 -6.111 6.599 1.00 45.42 C ATOM 0 H LEU A 42 -9.819 -5.548 5.195 1.00 4.23 H new ATOM 0 HA LEU A 42 -9.128 -8.328 5.300 1.00 65.31 H new ATOM 0 HB2 LEU A 42 -8.469 -5.790 6.759 1.00 50.41 H new ATOM 0 HB3 LEU A 42 -8.182 -7.286 7.626 1.00 50.41 H new ATOM 0 HG LEU A 42 -6.590 -8.047 6.017 1.00 74.31 H new ATOM 0 HD11 LEU A 42 -5.944 -6.821 3.969 1.00 72.22 H new ATOM 0 HD12 LEU A 42 -7.629 -7.393 3.921 1.00 72.22 H new ATOM 0 HD13 LEU A 42 -7.280 -5.678 4.246 1.00 72.22 H new ATOM 0 HD21 LEU A 42 -4.864 -6.227 6.090 1.00 45.42 H new ATOM 0 HD22 LEU A 42 -6.135 -5.068 6.548 1.00 45.42 H new ATOM 0 HD23 LEU A 42 -5.715 -6.407 7.643 1.00 45.42 H new ATOM 707 N GLU A 43 -11.340 -7.201 7.485 1.00 11.01 N ATOM 708 CA GLU A 43 -12.468 -7.581 8.356 1.00 22.21 C ATOM 709 C GLU A 43 -13.478 -8.483 7.589 1.00 22.14 C ATOM 710 O GLU A 43 -13.786 -9.597 8.030 1.00 44.55 O ATOM 711 CB GLU A 43 -13.162 -6.297 8.893 1.00 61.15 C ATOM 712 CG GLU A 43 -14.373 -6.539 9.823 1.00 72.21 C ATOM 713 CD GLU A 43 -14.023 -7.340 11.094 1.00 11.40 C ATOM 714 OE1 GLU A 43 -13.341 -6.789 11.984 1.00 35.41 O ATOM 715 OE2 GLU A 43 -14.417 -8.524 11.200 1.00 35.23 O ATOM 0 H GLU A 43 -11.259 -6.194 7.341 1.00 11.01 H new ATOM 0 HA GLU A 43 -12.090 -8.157 9.200 1.00 22.21 H new ATOM 0 HB2 GLU A 43 -12.424 -5.704 9.432 1.00 61.15 H new ATOM 0 HB3 GLU A 43 -13.492 -5.700 8.043 1.00 61.15 H new ATOM 0 HG2 GLU A 43 -14.795 -5.577 10.114 1.00 72.21 H new ATOM 0 HG3 GLU A 43 -15.146 -7.072 9.269 1.00 72.21 H new ATOM 756 N ALA A 47 -9.558 -8.917 -0.201 1.00 5.11 N ATOM 757 CA ALA A 47 -8.280 -8.246 0.118 1.00 60.21 C ATOM 758 C ALA A 47 -7.255 -8.290 -1.041 1.00 61.51 C ATOM 759 O ALA A 47 -6.589 -7.291 -1.283 1.00 60.53 O ATOM 760 CB ALA A 47 -7.673 -8.859 1.391 1.00 32.22 C ATOM 0 HA ALA A 47 -8.510 -7.193 0.281 1.00 60.21 H new ATOM 0 HB1 ALA A 47 -6.731 -8.361 1.621 1.00 32.22 H new ATOM 0 HB2 ALA A 47 -8.365 -8.729 2.223 1.00 32.22 H new ATOM 0 HB3 ALA A 47 -7.492 -9.922 1.232 1.00 32.22 H new ATOM 766 N LYS A 48 -7.152 -9.440 -1.757 1.00 71.31 N ATOM 767 CA LYS A 48 -6.160 -9.636 -2.862 1.00 22.55 C ATOM 768 C LYS A 48 -6.283 -8.527 -3.935 1.00 1.40 C ATOM 769 O LYS A 48 -5.285 -7.929 -4.344 1.00 45.25 O ATOM 770 CB LYS A 48 -6.336 -11.031 -3.541 1.00 21.43 C ATOM 771 CG LYS A 48 -5.314 -11.343 -4.696 1.00 33.42 C ATOM 772 CD LYS A 48 -5.970 -11.796 -6.038 1.00 40.22 C ATOM 773 CE LYS A 48 -6.963 -10.760 -6.609 1.00 12.11 C ATOM 774 NZ LYS A 48 -7.307 -10.996 -8.039 1.00 24.13 N ATOM 0 H LYS A 48 -7.745 -10.253 -1.592 1.00 71.31 H new ATOM 0 HA LYS A 48 -5.170 -9.583 -2.410 1.00 22.55 H new ATOM 0 HB2 LYS A 48 -6.245 -11.804 -2.778 1.00 21.43 H new ATOM 0 HB3 LYS A 48 -7.347 -11.097 -3.943 1.00 21.43 H new ATOM 0 HG2 LYS A 48 -4.713 -10.453 -4.883 1.00 33.42 H new ATOM 0 HG3 LYS A 48 -4.631 -12.123 -4.359 1.00 33.42 H new ATOM 0 HD2 LYS A 48 -5.187 -11.983 -6.773 1.00 40.22 H new ATOM 0 HD3 LYS A 48 -6.491 -12.740 -5.880 1.00 40.22 H new ATOM 0 HE2 LYS A 48 -7.877 -10.778 -6.015 1.00 12.11 H new ATOM 0 HE3 LYS A 48 -6.536 -9.763 -6.506 1.00 12.11 H new ATOM 0 HZ1 LYS A 48 -6.815 -10.299 -8.634 1.00 24.13 H new ATOM 0 HZ2 LYS A 48 -7.013 -11.955 -8.313 1.00 24.13 H new ATOM 0 HZ3 LYS A 48 -8.334 -10.898 -8.170 1.00 24.13 H new ATOM 788 N ASN A 49 -7.534 -8.279 -4.362 1.00 23.23 N ATOM 789 CA ASN A 49 -7.887 -7.207 -5.319 1.00 12.42 C ATOM 790 C ASN A 49 -7.403 -5.825 -4.811 1.00 34.44 C ATOM 791 O ASN A 49 -6.785 -5.064 -5.553 1.00 73.04 O ATOM 792 CB ASN A 49 -9.427 -7.209 -5.524 1.00 4.21 C ATOM 793 CG ASN A 49 -9.947 -6.131 -6.490 1.00 0.12 C ATOM 794 OD1 ASN A 49 -9.284 -5.757 -7.450 1.00 20.34 O ATOM 795 ND2 ASN A 49 -11.138 -5.621 -6.230 1.00 12.11 N ATOM 0 H ASN A 49 -8.340 -8.822 -4.051 1.00 23.23 H new ATOM 0 HA ASN A 49 -7.390 -7.394 -6.271 1.00 12.42 H new ATOM 0 HB2 ASN A 49 -9.729 -8.188 -5.896 1.00 4.21 H new ATOM 0 HB3 ASN A 49 -9.909 -7.073 -4.556 1.00 4.21 H new ATOM 0 HD21 ASN A 49 -11.526 -4.898 -6.835 1.00 12.11 H new ATOM 0 HD22 ASN A 49 -11.669 -5.951 -5.424 1.00 12.11 H new ATOM 802 N MET A 50 -7.666 -5.562 -3.519 1.00 13.12 N ATOM 803 CA MET A 50 -7.291 -4.309 -2.825 1.00 65.14 C ATOM 804 C MET A 50 -5.758 -4.105 -2.729 1.00 61.42 C ATOM 805 O MET A 50 -5.289 -2.970 -2.752 1.00 31.11 O ATOM 806 CB MET A 50 -7.936 -4.287 -1.423 1.00 3.32 C ATOM 807 CG MET A 50 -9.467 -4.276 -1.461 1.00 70.45 C ATOM 808 SD MET A 50 -10.146 -2.718 -2.086 1.00 21.31 S ATOM 809 CE MET A 50 -9.669 -1.570 -0.790 1.00 51.24 C ATOM 0 H MET A 50 -8.153 -6.223 -2.914 1.00 13.12 H new ATOM 0 HA MET A 50 -7.669 -3.478 -3.420 1.00 65.14 H new ATOM 0 HB2 MET A 50 -7.600 -5.159 -0.862 1.00 3.32 H new ATOM 0 HB3 MET A 50 -7.586 -3.407 -0.884 1.00 3.32 H new ATOM 0 HG2 MET A 50 -9.816 -5.096 -2.089 1.00 70.45 H new ATOM 0 HG3 MET A 50 -9.852 -4.457 -0.457 1.00 70.45 H new ATOM 0 HE1 MET A 50 -10.393 -0.757 -0.739 1.00 51.24 H new ATOM 0 HE2 MET A 50 -9.642 -2.092 0.166 1.00 51.24 H new ATOM 0 HE3 MET A 50 -8.682 -1.163 -1.010 1.00 51.24 H new ATOM 819 N ILE A 51 -5.000 -5.208 -2.640 1.00 40.44 N ATOM 820 CA ILE A 51 -3.514 -5.181 -2.617 1.00 62.14 C ATOM 821 C ILE A 51 -2.957 -4.769 -4.005 1.00 73.42 C ATOM 822 O ILE A 51 -2.068 -3.911 -4.108 1.00 63.54 O ATOM 823 CB ILE A 51 -2.943 -6.593 -2.209 1.00 33.15 C ATOM 824 CG1 ILE A 51 -3.490 -7.027 -0.806 1.00 2.33 C ATOM 825 CG2 ILE A 51 -1.393 -6.613 -2.227 1.00 62.40 C ATOM 826 CD1 ILE A 51 -3.251 -8.484 -0.454 1.00 72.53 C ATOM 0 H ILE A 51 -5.391 -6.148 -2.582 1.00 40.44 H new ATOM 0 HA ILE A 51 -3.198 -4.445 -1.877 1.00 62.14 H new ATOM 0 HB ILE A 51 -3.286 -7.313 -2.952 1.00 33.15 H new ATOM 0 HG12 ILE A 51 -3.027 -6.402 -0.042 1.00 2.33 H new ATOM 0 HG13 ILE A 51 -4.562 -6.830 -0.773 1.00 2.33 H new ATOM 0 HG21 ILE A 51 -1.039 -7.603 -1.940 1.00 62.40 H new ATOM 0 HG22 ILE A 51 -1.038 -6.377 -3.230 1.00 62.40 H new ATOM 0 HG23 ILE A 51 -1.011 -5.873 -1.523 1.00 62.40 H new ATOM 0 HD11 ILE A 51 -3.663 -8.692 0.533 1.00 72.53 H new ATOM 0 HD12 ILE A 51 -3.738 -9.121 -1.192 1.00 72.53 H new ATOM 0 HD13 ILE A 51 -2.180 -8.686 -0.450 1.00 72.53 H new ATOM 838 N GLU A 52 -3.516 -5.386 -5.065 1.00 52.53 N ATOM 839 CA GLU A 52 -3.112 -5.131 -6.468 1.00 12.33 C ATOM 840 C GLU A 52 -3.458 -3.685 -6.915 1.00 63.34 C ATOM 841 O GLU A 52 -2.652 -3.028 -7.587 1.00 73.01 O ATOM 842 CB GLU A 52 -3.794 -6.148 -7.422 1.00 75.14 C ATOM 843 CG GLU A 52 -3.493 -7.637 -7.129 1.00 73.43 C ATOM 844 CD GLU A 52 -4.151 -8.600 -8.146 1.00 12.24 C ATOM 845 OE1 GLU A 52 -5.384 -8.507 -8.351 1.00 30.32 O ATOM 846 OE2 GLU A 52 -3.443 -9.446 -8.743 1.00 61.31 O ATOM 0 H GLU A 52 -4.261 -6.076 -4.976 1.00 52.53 H new ATOM 0 HA GLU A 52 -2.030 -5.252 -6.519 1.00 12.33 H new ATOM 0 HB2 GLU A 52 -4.872 -5.997 -7.376 1.00 75.14 H new ATOM 0 HB3 GLU A 52 -3.484 -5.926 -8.443 1.00 75.14 H new ATOM 0 HG2 GLU A 52 -2.414 -7.792 -7.136 1.00 73.43 H new ATOM 0 HG3 GLU A 52 -3.843 -7.882 -6.126 1.00 73.43 H new ATOM 853 N LYS A 53 -4.663 -3.206 -6.541 1.00 54.33 N ATOM 854 CA LYS A 53 -5.126 -1.836 -6.905 1.00 50.32 C ATOM 855 C LYS A 53 -4.450 -0.758 -6.024 1.00 74.11 C ATOM 856 O LYS A 53 -4.335 0.398 -6.441 1.00 74.14 O ATOM 857 CB LYS A 53 -6.690 -1.733 -6.883 1.00 33.21 C ATOM 858 CG LYS A 53 -7.383 -1.979 -5.517 1.00 12.11 C ATOM 859 CD LYS A 53 -7.604 -0.719 -4.623 1.00 2.00 C ATOM 860 CE LYS A 53 -8.864 0.101 -4.992 1.00 73.23 C ATOM 861 NZ LYS A 53 -8.767 0.766 -6.313 1.00 25.11 N ATOM 0 H LYS A 53 -5.335 -3.739 -5.990 1.00 54.33 H new ATOM 0 HA LYS A 53 -4.815 -1.642 -7.932 1.00 50.32 H new ATOM 0 HB2 LYS A 53 -6.971 -0.740 -7.234 1.00 33.21 H new ATOM 0 HB3 LYS A 53 -7.089 -2.449 -7.601 1.00 33.21 H new ATOM 0 HG2 LYS A 53 -8.352 -2.443 -5.702 1.00 12.11 H new ATOM 0 HG3 LYS A 53 -6.788 -2.699 -4.955 1.00 12.11 H new ATOM 0 HD2 LYS A 53 -7.680 -1.033 -3.582 1.00 2.00 H new ATOM 0 HD3 LYS A 53 -6.728 -0.074 -4.699 1.00 2.00 H new ATOM 0 HE2 LYS A 53 -9.732 -0.559 -4.988 1.00 73.23 H new ATOM 0 HE3 LYS A 53 -9.035 0.856 -4.225 1.00 73.23 H new ATOM 0 HZ1 LYS A 53 -9.454 1.545 -6.361 1.00 25.11 H new ATOM 0 HZ2 LYS A 53 -7.806 1.143 -6.442 1.00 25.11 H new ATOM 0 HZ3 LYS A 53 -8.973 0.077 -7.064 1.00 25.11 H new ATOM 875 N PHE A 54 -4.007 -1.148 -4.796 1.00 21.12 N ATOM 876 CA PHE A 54 -3.176 -0.267 -3.943 1.00 30.02 C ATOM 877 C PHE A 54 -1.755 -0.131 -4.536 1.00 22.10 C ATOM 878 O PHE A 54 -1.159 0.926 -4.423 1.00 71.00 O ATOM 879 CB PHE A 54 -3.099 -0.760 -2.464 1.00 14.41 C ATOM 880 CG PHE A 54 -2.372 0.228 -1.526 1.00 22.54 C ATOM 881 CD1 PHE A 54 -3.054 1.302 -0.951 1.00 3.05 C ATOM 882 CD2 PHE A 54 -1.002 0.109 -1.264 1.00 22.45 C ATOM 883 CE1 PHE A 54 -2.395 2.222 -0.151 1.00 74.05 C ATOM 884 CE2 PHE A 54 -0.345 1.034 -0.476 1.00 22.01 C ATOM 885 CZ PHE A 54 -1.040 2.086 0.088 1.00 23.13 C ATOM 0 H PHE A 54 -4.212 -2.058 -4.383 1.00 21.12 H new ATOM 0 HA PHE A 54 -3.660 0.710 -3.929 1.00 30.02 H new ATOM 0 HB2 PHE A 54 -4.110 -0.927 -2.091 1.00 14.41 H new ATOM 0 HB3 PHE A 54 -2.586 -1.721 -2.435 1.00 14.41 H new ATOM 0 HD1 PHE A 54 -4.112 1.418 -1.133 1.00 3.05 H new ATOM 0 HD2 PHE A 54 -0.450 -0.719 -1.684 1.00 22.45 H new ATOM 0 HE1 PHE A 54 -2.940 3.046 0.286 1.00 74.05 H new ATOM 0 HE2 PHE A 54 0.716 0.934 -0.300 1.00 22.01 H new ATOM 0 HZ PHE A 54 -0.526 2.801 0.714 1.00 23.13 H new ATOM 895 N ARG A 55 -1.217 -1.221 -5.135 1.00 4.05 N ATOM 896 CA ARG A 55 0.072 -1.181 -5.880 1.00 4.23 C ATOM 897 C ARG A 55 -0.029 -0.235 -7.094 1.00 0.25 C ATOM 898 O ARG A 55 0.873 0.561 -7.348 1.00 51.32 O ATOM 899 CB ARG A 55 0.514 -2.623 -6.333 1.00 1.21 C ATOM 900 CG ARG A 55 1.610 -2.693 -7.466 1.00 31.52 C ATOM 901 CD ARG A 55 1.002 -2.843 -8.889 1.00 52.03 C ATOM 902 NE ARG A 55 1.857 -2.316 -9.973 1.00 24.33 N ATOM 903 CZ ARG A 55 1.443 -2.081 -11.213 1.00 52.21 C ATOM 904 NH1 ARG A 55 0.216 -2.318 -11.570 1.00 45.53 N ATOM 905 NH2 ARG A 55 2.259 -1.598 -12.090 1.00 45.41 N ATOM 0 H ARG A 55 -1.655 -2.142 -5.118 1.00 4.05 H new ATOM 0 HA ARG A 55 0.836 -0.794 -5.205 1.00 4.23 H new ATOM 0 HB2 ARG A 55 0.890 -3.156 -5.460 1.00 1.21 H new ATOM 0 HB3 ARG A 55 -0.370 -3.160 -6.678 1.00 1.21 H new ATOM 0 HG2 ARG A 55 2.220 -1.790 -7.431 1.00 31.52 H new ATOM 0 HG3 ARG A 55 2.274 -3.535 -7.270 1.00 31.52 H new ATOM 0 HD2 ARG A 55 0.805 -3.898 -9.078 1.00 52.03 H new ATOM 0 HD3 ARG A 55 0.041 -2.329 -8.917 1.00 52.03 H new ATOM 0 HE ARG A 55 2.833 -2.119 -9.754 1.00 24.33 H new ATOM 0 HH11 ARG A 55 -0.449 -2.691 -10.893 1.00 45.53 H new ATOM 0 HH12 ARG A 55 -0.082 -2.131 -12.527 1.00 45.53 H new ATOM 0 HH21 ARG A 55 3.225 -1.396 -11.831 1.00 45.41 H new ATOM 0 HH22 ARG A 55 1.938 -1.419 -13.041 1.00 45.41 H new ATOM 919 N ASP A 56 -1.136 -0.360 -7.844 1.00 63.41 N ATOM 920 CA ASP A 56 -1.387 0.426 -9.072 1.00 64.00 C ATOM 921 C ASP A 56 -1.546 1.940 -8.744 1.00 31.13 C ATOM 922 O ASP A 56 -1.133 2.810 -9.519 1.00 60.42 O ATOM 923 CB ASP A 56 -2.641 -0.150 -9.778 1.00 13.32 C ATOM 924 CG ASP A 56 -2.830 0.380 -11.204 1.00 30.33 C ATOM 925 OD1 ASP A 56 -2.181 -0.147 -12.132 1.00 70.33 O ATOM 926 OD2 ASP A 56 -3.629 1.323 -11.409 1.00 44.00 O ATOM 0 H ASP A 56 -1.888 -1.011 -7.618 1.00 63.41 H new ATOM 0 HA ASP A 56 -0.534 0.346 -9.745 1.00 64.00 H new ATOM 0 HB2 ASP A 56 -2.565 -1.237 -9.809 1.00 13.32 H new ATOM 0 HB3 ASP A 56 -3.525 0.091 -9.188 1.00 13.32 H new ATOM 931 N GLU A 57 -2.145 2.213 -7.572 1.00 25.53 N ATOM 932 CA GLU A 57 -2.232 3.565 -6.979 1.00 23.10 C ATOM 933 C GLU A 57 -0.843 4.050 -6.498 1.00 42.10 C ATOM 934 O GLU A 57 -0.433 5.173 -6.779 1.00 32.31 O ATOM 935 CB GLU A 57 -3.225 3.534 -5.781 1.00 32.35 C ATOM 936 CG GLU A 57 -3.504 4.903 -5.118 1.00 63.11 C ATOM 937 CD GLU A 57 -4.196 5.901 -6.060 1.00 12.33 C ATOM 938 OE1 GLU A 57 -5.375 5.674 -6.408 1.00 45.50 O ATOM 939 OE2 GLU A 57 -3.582 6.923 -6.447 1.00 35.01 O ATOM 0 H GLU A 57 -2.589 1.494 -7.000 1.00 25.53 H new ATOM 0 HA GLU A 57 -2.588 4.260 -7.740 1.00 23.10 H new ATOM 0 HB2 GLU A 57 -4.171 3.116 -6.125 1.00 32.35 H new ATOM 0 HB3 GLU A 57 -2.834 2.855 -5.023 1.00 32.35 H new ATOM 0 HG2 GLU A 57 -4.128 4.752 -4.237 1.00 63.11 H new ATOM 0 HG3 GLU A 57 -2.563 5.331 -4.773 1.00 63.11 H new ATOM 946 N MET A 58 -0.134 3.158 -5.780 1.00 5.41 N ATOM 947 CA MET A 58 1.177 3.433 -5.153 1.00 40.43 C ATOM 948 C MET A 58 2.239 3.861 -6.179 1.00 32.12 C ATOM 949 O MET A 58 2.950 4.846 -5.982 1.00 34.21 O ATOM 950 CB MET A 58 1.660 2.180 -4.378 1.00 1.33 C ATOM 951 CG MET A 58 2.975 2.382 -3.640 1.00 13.24 C ATOM 952 SD MET A 58 2.873 3.745 -2.469 1.00 3.41 S ATOM 953 CE MET A 58 4.597 4.142 -2.270 1.00 54.31 C ATOM 0 H MET A 58 -0.462 2.206 -5.615 1.00 5.41 H new ATOM 0 HA MET A 58 1.042 4.267 -4.464 1.00 40.43 H new ATOM 0 HB2 MET A 58 0.892 1.890 -3.660 1.00 1.33 H new ATOM 0 HB3 MET A 58 1.771 1.352 -5.078 1.00 1.33 H new ATOM 0 HG2 MET A 58 3.241 1.466 -3.112 1.00 13.24 H new ATOM 0 HG3 MET A 58 3.770 2.578 -4.359 1.00 13.24 H new ATOM 0 HE1 MET A 58 4.740 4.683 -1.335 1.00 54.31 H new ATOM 0 HE2 MET A 58 5.182 3.223 -2.250 1.00 54.31 H new ATOM 0 HE3 MET A 58 4.926 4.764 -3.103 1.00 54.31 H new ATOM 963 N GLU A 59 2.311 3.104 -7.274 1.00 63.04 N ATOM 964 CA GLU A 59 3.277 3.335 -8.362 1.00 24.51 C ATOM 965 C GLU A 59 2.982 4.671 -9.086 1.00 3.30 C ATOM 966 O GLU A 59 3.897 5.343 -9.554 1.00 33.24 O ATOM 967 CB GLU A 59 3.255 2.128 -9.346 1.00 13.11 C ATOM 968 CG GLU A 59 4.477 2.030 -10.286 1.00 5.01 C ATOM 969 CD GLU A 59 4.376 0.856 -11.277 1.00 45.33 C ATOM 970 OE1 GLU A 59 4.585 -0.309 -10.861 1.00 52.11 O ATOM 971 OE2 GLU A 59 4.062 1.089 -12.470 1.00 44.35 O ATOM 0 H GLU A 59 1.698 2.305 -7.438 1.00 63.04 H new ATOM 0 HA GLU A 59 4.279 3.415 -7.941 1.00 24.51 H new ATOM 0 HB2 GLU A 59 3.186 1.207 -8.767 1.00 13.11 H new ATOM 0 HB3 GLU A 59 2.352 2.190 -9.954 1.00 13.11 H new ATOM 0 HG2 GLU A 59 4.577 2.962 -10.843 1.00 5.01 H new ATOM 0 HG3 GLU A 59 5.381 1.918 -9.688 1.00 5.01 H new ATOM 978 N GLN A 60 1.689 5.052 -9.124 1.00 25.14 N ATOM 979 CA GLN A 60 1.224 6.316 -9.737 1.00 22.11 C ATOM 980 C GLN A 60 1.670 7.538 -8.875 1.00 34.42 C ATOM 981 O GLN A 60 2.398 8.412 -9.360 1.00 53.33 O ATOM 982 CB GLN A 60 -0.337 6.255 -9.890 1.00 42.31 C ATOM 983 CG GLN A 60 -0.998 7.246 -10.884 1.00 13.10 C ATOM 984 CD GLN A 60 -0.939 8.721 -10.467 1.00 11.10 C ATOM 985 OE1 GLN A 60 -1.810 9.226 -9.768 1.00 41.11 O ATOM 986 NE2 GLN A 60 0.071 9.432 -10.926 1.00 31.53 N ATOM 0 H GLN A 60 0.934 4.491 -8.729 1.00 25.14 H new ATOM 0 HA GLN A 60 1.671 6.441 -10.723 1.00 22.11 H new ATOM 0 HB2 GLN A 60 -0.606 5.244 -10.194 1.00 42.31 H new ATOM 0 HB3 GLN A 60 -0.778 6.420 -8.907 1.00 42.31 H new ATOM 0 HG2 GLN A 60 -0.515 7.139 -11.855 1.00 13.10 H new ATOM 0 HG3 GLN A 60 -2.042 6.963 -11.015 1.00 13.10 H new ATOM 0 HE21 GLN A 60 0.784 8.990 -11.506 1.00 31.53 H new ATOM 0 HE22 GLN A 60 0.140 10.425 -10.701 1.00 31.53 H new ATOM 995 N MET A 61 1.277 7.546 -7.579 1.00 40.44 N ATOM 996 CA MET A 61 1.477 8.717 -6.674 1.00 52.24 C ATOM 997 C MET A 61 2.956 8.887 -6.227 1.00 22.24 C ATOM 998 O MET A 61 3.367 9.984 -5.832 1.00 63.43 O ATOM 999 CB MET A 61 0.520 8.624 -5.448 1.00 11.23 C ATOM 1000 CG MET A 61 0.662 7.352 -4.606 1.00 20.01 C ATOM 1001 SD MET A 61 -0.593 7.236 -3.313 1.00 4.23 S ATOM 1002 CE MET A 61 -0.314 5.577 -2.691 1.00 51.42 C ATOM 0 H MET A 61 0.817 6.754 -7.130 1.00 40.44 H new ATOM 0 HA MET A 61 1.229 9.612 -7.245 1.00 52.24 H new ATOM 0 HB2 MET A 61 0.693 9.487 -4.806 1.00 11.23 H new ATOM 0 HB3 MET A 61 -0.508 8.693 -5.804 1.00 11.23 H new ATOM 0 HG2 MET A 61 0.591 6.480 -5.256 1.00 20.01 H new ATOM 0 HG3 MET A 61 1.652 7.330 -4.150 1.00 20.01 H new ATOM 0 HE1 MET A 61 -1.019 5.367 -1.887 1.00 51.42 H new ATOM 0 HE2 MET A 61 -0.458 4.857 -3.497 1.00 51.42 H new ATOM 0 HE3 MET A 61 0.705 5.497 -2.311 1.00 51.42 H new ATOM 1012 N TYR A 62 3.740 7.790 -6.280 1.00 24.44 N ATOM 1013 CA TYR A 62 5.207 7.829 -6.059 1.00 52.34 C ATOM 1014 C TYR A 62 5.932 8.590 -7.204 1.00 31.40 C ATOM 1015 O TYR A 62 6.964 9.229 -6.980 1.00 65.54 O ATOM 1016 CB TYR A 62 5.773 6.383 -5.890 1.00 44.24 C ATOM 1017 CG TYR A 62 7.307 6.273 -5.997 1.00 62.43 C ATOM 1018 CD1 TYR A 62 8.148 6.617 -4.935 1.00 62.21 C ATOM 1019 CD2 TYR A 62 7.917 5.876 -7.198 1.00 40.12 C ATOM 1020 CE1 TYR A 62 9.519 6.568 -5.066 1.00 11.20 C ATOM 1021 CE2 TYR A 62 9.286 5.819 -7.320 1.00 34.20 C ATOM 1022 CZ TYR A 62 10.081 6.174 -6.258 1.00 35.21 C ATOM 1023 OH TYR A 62 11.448 6.146 -6.392 1.00 24.22 O ATOM 0 H TYR A 62 3.380 6.856 -6.476 1.00 24.44 H new ATOM 0 HA TYR A 62 5.397 8.378 -5.136 1.00 52.34 H new ATOM 0 HB2 TYR A 62 5.462 5.997 -4.919 1.00 44.24 H new ATOM 0 HB3 TYR A 62 5.323 5.741 -6.647 1.00 44.24 H new ATOM 0 HD1 TYR A 62 7.716 6.927 -3.995 1.00 62.21 H new ATOM 0 HD2 TYR A 62 7.299 5.610 -8.043 1.00 40.12 H new ATOM 0 HE1 TYR A 62 10.152 6.839 -4.234 1.00 11.20 H new ATOM 0 HE2 TYR A 62 9.734 5.496 -8.248 1.00 34.20 H new ATOM 0 HH TYR A 62 11.733 5.243 -6.645 1.00 24.22 H new ATOM 1033 N LYS A 63 5.397 8.511 -8.433 1.00 30.31 N ATOM 1034 CA LYS A 63 5.984 9.228 -9.599 1.00 20.52 C ATOM 1035 C LYS A 63 5.674 10.746 -9.561 1.00 34.20 C ATOM 1036 O LYS A 63 6.289 11.536 -10.286 1.00 24.44 O ATOM 1037 CB LYS A 63 5.520 8.566 -10.919 1.00 73.41 C ATOM 1038 CG LYS A 63 6.024 7.112 -11.064 1.00 25.11 C ATOM 1039 CD LYS A 63 5.554 6.415 -12.358 1.00 52.24 C ATOM 1040 CE LYS A 63 5.997 4.942 -12.406 1.00 3.41 C ATOM 1041 NZ LYS A 63 5.585 4.257 -13.660 1.00 10.34 N ATOM 0 H LYS A 63 4.565 7.964 -8.654 1.00 30.31 H new ATOM 0 HA LYS A 63 7.069 9.143 -9.544 1.00 20.52 H new ATOM 0 HB2 LYS A 63 4.431 8.575 -10.962 1.00 73.41 H new ATOM 0 HB3 LYS A 63 5.878 9.156 -11.763 1.00 73.41 H new ATOM 0 HG2 LYS A 63 7.114 7.111 -11.037 1.00 25.11 H new ATOM 0 HG3 LYS A 63 5.683 6.532 -10.206 1.00 25.11 H new ATOM 0 HD2 LYS A 63 4.468 6.470 -12.427 1.00 52.24 H new ATOM 0 HD3 LYS A 63 5.956 6.944 -13.222 1.00 52.24 H new ATOM 0 HE2 LYS A 63 7.081 4.890 -12.308 1.00 3.41 H new ATOM 0 HE3 LYS A 63 5.574 4.412 -11.552 1.00 3.41 H new ATOM 0 HZ1 LYS A 63 5.909 3.269 -13.638 1.00 10.34 H new ATOM 0 HZ2 LYS A 63 4.549 4.280 -13.744 1.00 10.34 H new ATOM 0 HZ3 LYS A 63 6.009 4.743 -14.476 1.00 10.34 H new ATOM 1055 N ASP A 64 4.708 11.136 -8.711 1.00 72.54 N ATOM 1056 CA ASP A 64 4.467 12.552 -8.339 1.00 11.33 C ATOM 1057 C ASP A 64 5.294 12.954 -7.089 1.00 41.30 C ATOM 1058 O ASP A 64 5.701 14.115 -6.951 1.00 71.51 O ATOM 1059 CB ASP A 64 2.955 12.785 -8.090 1.00 65.44 C ATOM 1060 CG ASP A 64 2.117 12.555 -9.356 1.00 44.24 C ATOM 1061 OD1 ASP A 64 1.743 11.398 -9.628 1.00 73.00 O ATOM 1062 OD2 ASP A 64 1.865 13.528 -10.102 1.00 12.32 O ATOM 0 H ASP A 64 4.069 10.482 -8.259 1.00 72.54 H new ATOM 0 HA ASP A 64 4.791 13.183 -9.167 1.00 11.33 H new ATOM 0 HB2 ASP A 64 2.611 12.115 -7.302 1.00 65.44 H new ATOM 0 HB3 ASP A 64 2.800 13.803 -7.734 1.00 65.44 H new ATOM 1067 N ALA A 65 5.554 11.982 -6.187 1.00 74.51 N ATOM 1068 CA ALA A 65 6.287 12.218 -4.919 1.00 35.22 C ATOM 1069 C ALA A 65 7.342 11.105 -4.641 1.00 52.32 C ATOM 1070 O ALA A 65 7.052 10.127 -3.937 1.00 43.00 O ATOM 1071 CB ALA A 65 5.282 12.332 -3.760 1.00 34.23 C ATOM 0 H ALA A 65 5.263 11.013 -6.315 1.00 74.51 H new ATOM 0 HA ALA A 65 6.838 13.154 -5.009 1.00 35.22 H new ATOM 0 HB1 ALA A 65 5.820 12.505 -2.828 1.00 34.23 H new ATOM 0 HB2 ALA A 65 4.603 13.164 -3.948 1.00 34.23 H new ATOM 0 HB3 ALA A 65 4.710 11.407 -3.682 1.00 34.23 H new ATOM 1077 N PRO A 66 8.581 11.196 -5.231 1.00 71.52 N ATOM 1078 CA PRO A 66 9.661 10.206 -4.990 1.00 64.15 C ATOM 1079 C PRO A 66 10.488 10.527 -3.714 1.00 12.21 C ATOM 1080 O PRO A 66 11.704 10.758 -3.772 1.00 63.31 O ATOM 1081 CB PRO A 66 10.490 10.322 -6.291 1.00 53.10 C ATOM 1082 CG PRO A 66 10.390 11.772 -6.661 1.00 14.42 C ATOM 1083 CD PRO A 66 9.018 12.243 -6.195 1.00 22.22 C ATOM 0 HA PRO A 66 9.298 9.197 -4.796 1.00 64.15 H new ATOM 0 HB2 PRO A 66 11.526 10.022 -6.132 1.00 53.10 H new ATOM 0 HB3 PRO A 66 10.090 9.682 -7.077 1.00 53.10 H new ATOM 0 HG2 PRO A 66 11.181 12.350 -6.184 1.00 14.42 H new ATOM 0 HG3 PRO A 66 10.502 11.907 -7.737 1.00 14.42 H new ATOM 0 HD2 PRO A 66 9.073 13.223 -5.721 1.00 22.22 H new ATOM 0 HD3 PRO A 66 8.322 12.331 -7.030 1.00 22.22 H new ATOM 1091 N ASN A 67 9.804 10.514 -2.552 1.00 33.11 N ATOM 1092 CA ASN A 67 10.400 10.892 -1.246 1.00 44.14 C ATOM 1093 C ASN A 67 11.181 9.712 -0.611 1.00 72.30 C ATOM 1094 O ASN A 67 10.734 9.154 0.386 1.00 31.24 O ATOM 1095 CB ASN A 67 9.290 11.406 -0.283 1.00 12.30 C ATOM 1096 CG ASN A 67 8.402 12.490 -0.899 1.00 71.22 C ATOM 1097 OD1 ASN A 67 8.818 13.250 -1.771 1.00 22.02 O ATOM 1098 ND2 ASN A 67 7.171 12.570 -0.445 1.00 35.42 N ATOM 0 H ASN A 67 8.823 10.242 -2.488 1.00 33.11 H new ATOM 0 HA ASN A 67 11.116 11.695 -1.420 1.00 44.14 H new ATOM 0 HB2 ASN A 67 8.666 10.566 0.021 1.00 12.30 H new ATOM 0 HB3 ASN A 67 9.757 11.799 0.620 1.00 12.30 H new ATOM 0 HD21 ASN A 67 6.535 13.275 -0.817 1.00 35.42 H new ATOM 0 HD22 ASN A 67 6.852 11.927 0.279 1.00 35.42 H new ATOM 1105 N ALA A 68 12.310 9.332 -1.264 1.00 34.11 N ATOM 1106 CA ALA A 68 13.268 8.270 -0.832 1.00 31.11 C ATOM 1107 C ALA A 68 12.612 6.992 -0.222 1.00 63.01 C ATOM 1108 O ALA A 68 12.450 5.983 -0.918 1.00 62.03 O ATOM 1109 CB ALA A 68 14.346 8.866 0.099 1.00 3.25 C ATOM 0 H ALA A 68 12.592 9.771 -2.140 1.00 34.11 H new ATOM 0 HA ALA A 68 13.739 7.909 -1.746 1.00 31.11 H new ATOM 0 HB1 ALA A 68 15.037 8.080 0.406 1.00 3.25 H new ATOM 0 HB2 ALA A 68 14.894 9.645 -0.431 1.00 3.25 H new ATOM 0 HB3 ALA A 68 13.869 9.294 0.981 1.00 3.25 H new ATOM 1115 N VAL A 69 12.212 7.070 1.071 1.00 3.43 N ATOM 1116 CA VAL A 69 11.569 5.956 1.820 1.00 2.30 C ATOM 1117 C VAL A 69 10.291 5.416 1.110 1.00 64.24 C ATOM 1118 O VAL A 69 9.970 4.234 1.214 1.00 40.04 O ATOM 1119 CB VAL A 69 11.216 6.399 3.301 1.00 12.41 C ATOM 1120 CG1 VAL A 69 10.148 7.528 3.342 1.00 4.14 C ATOM 1121 CG2 VAL A 69 10.787 5.192 4.172 1.00 25.11 C ATOM 0 H VAL A 69 12.327 7.915 1.631 1.00 3.43 H new ATOM 0 HA VAL A 69 12.296 5.145 1.849 1.00 2.30 H new ATOM 0 HB VAL A 69 12.131 6.809 3.727 1.00 12.41 H new ATOM 0 HG11 VAL A 69 9.941 7.796 4.378 1.00 4.14 H new ATOM 0 HG12 VAL A 69 10.522 8.402 2.809 1.00 4.14 H new ATOM 0 HG13 VAL A 69 9.231 7.179 2.867 1.00 4.14 H new ATOM 0 HG21 VAL A 69 10.553 5.535 5.180 1.00 25.11 H new ATOM 0 HG22 VAL A 69 9.906 4.723 3.735 1.00 25.11 H new ATOM 0 HG23 VAL A 69 11.600 4.467 4.215 1.00 25.11 H new ATOM 1131 N MET A 70 9.606 6.295 0.355 1.00 52.43 N ATOM 1132 CA MET A 70 8.366 5.955 -0.376 1.00 65.12 C ATOM 1133 C MET A 70 8.606 4.850 -1.461 1.00 1.22 C ATOM 1134 O MET A 70 7.712 4.058 -1.763 1.00 52.43 O ATOM 1135 CB MET A 70 7.754 7.261 -0.978 1.00 60.42 C ATOM 1136 CG MET A 70 6.308 7.129 -1.470 1.00 25.15 C ATOM 1137 SD MET A 70 5.530 8.710 -1.864 1.00 64.22 S ATOM 1138 CE MET A 70 3.877 8.191 -2.344 1.00 44.34 C ATOM 0 H MET A 70 9.896 7.265 0.233 1.00 52.43 H new ATOM 0 HA MET A 70 7.648 5.524 0.322 1.00 65.12 H new ATOM 0 HB2 MET A 70 7.795 8.046 -0.223 1.00 60.42 H new ATOM 0 HB3 MET A 70 8.377 7.587 -1.811 1.00 60.42 H new ATOM 0 HG2 MET A 70 6.291 6.495 -2.356 1.00 25.15 H new ATOM 0 HG3 MET A 70 5.718 6.624 -0.705 1.00 25.15 H new ATOM 0 HE1 MET A 70 3.285 9.066 -2.614 1.00 44.34 H new ATOM 0 HE2 MET A 70 3.941 7.518 -3.199 1.00 44.34 H new ATOM 0 HE3 MET A 70 3.402 7.674 -1.510 1.00 44.34 H new ATOM 1148 N GLU A 71 9.848 4.784 -1.995 1.00 21.10 N ATOM 1149 CA GLU A 71 10.300 3.698 -2.913 1.00 34.20 C ATOM 1150 C GLU A 71 10.326 2.320 -2.203 1.00 32.24 C ATOM 1151 O GLU A 71 9.913 1.306 -2.780 1.00 44.12 O ATOM 1152 CB GLU A 71 11.723 4.027 -3.464 1.00 4.32 C ATOM 1153 CG GLU A 71 12.355 2.951 -4.388 1.00 41.10 C ATOM 1154 CD GLU A 71 11.662 2.806 -5.764 1.00 43.44 C ATOM 1155 OE1 GLU A 71 10.607 2.135 -5.857 1.00 24.42 O ATOM 1156 OE2 GLU A 71 12.181 3.364 -6.762 1.00 60.33 O ATOM 0 H GLU A 71 10.569 5.480 -1.805 1.00 21.10 H new ATOM 0 HA GLU A 71 9.586 3.641 -3.735 1.00 34.20 H new ATOM 0 HB2 GLU A 71 11.671 4.966 -4.015 1.00 4.32 H new ATOM 0 HB3 GLU A 71 12.391 4.190 -2.618 1.00 4.32 H new ATOM 0 HG2 GLU A 71 13.405 3.197 -4.547 1.00 41.10 H new ATOM 0 HG3 GLU A 71 12.327 1.989 -3.877 1.00 41.10 H new ATOM 1163 N GLN A 72 10.818 2.311 -0.942 1.00 20.23 N ATOM 1164 CA GLN A 72 10.938 1.083 -0.114 1.00 44.11 C ATOM 1165 C GLN A 72 9.579 0.366 0.035 1.00 34.41 C ATOM 1166 O GLN A 72 9.469 -0.834 -0.227 1.00 51.10 O ATOM 1167 CB GLN A 72 11.518 1.437 1.289 1.00 32.32 C ATOM 1168 CG GLN A 72 11.668 0.248 2.262 1.00 74.41 C ATOM 1169 CD GLN A 72 12.172 0.648 3.657 1.00 20.42 C ATOM 1170 OE1 GLN A 72 11.923 1.748 4.142 1.00 73.41 O ATOM 1171 NE2 GLN A 72 12.885 -0.247 4.307 1.00 31.44 N ATOM 0 H GLN A 72 11.143 3.154 -0.468 1.00 20.23 H new ATOM 0 HA GLN A 72 11.620 0.401 -0.622 1.00 44.11 H new ATOM 0 HB2 GLN A 72 12.496 1.899 1.153 1.00 32.32 H new ATOM 0 HB3 GLN A 72 10.874 2.184 1.752 1.00 32.32 H new ATOM 0 HG2 GLN A 72 10.704 -0.250 2.363 1.00 74.41 H new ATOM 0 HG3 GLN A 72 12.358 -0.477 1.831 1.00 74.41 H new ATOM 0 HE21 GLN A 72 13.077 -1.153 3.881 1.00 31.44 H new ATOM 0 HE22 GLN A 72 13.245 -0.034 5.237 1.00 31.44 H new ATOM 1180 N LEU A 73 8.549 1.140 0.425 1.00 10.14 N ATOM 1181 CA LEU A 73 7.177 0.620 0.610 1.00 72.01 C ATOM 1182 C LEU A 73 6.585 0.050 -0.703 1.00 72.41 C ATOM 1183 O LEU A 73 5.906 -0.980 -0.680 1.00 2.54 O ATOM 1184 CB LEU A 73 6.236 1.709 1.213 1.00 2.33 C ATOM 1185 CG LEU A 73 6.449 2.055 2.730 1.00 2.31 C ATOM 1186 CD1 LEU A 73 6.581 0.772 3.579 1.00 4.40 C ATOM 1187 CD2 LEU A 73 7.642 3.008 2.962 1.00 14.13 C ATOM 0 H LEU A 73 8.641 2.137 0.620 1.00 10.14 H new ATOM 0 HA LEU A 73 7.247 -0.205 1.319 1.00 72.01 H new ATOM 0 HB2 LEU A 73 6.358 2.624 0.634 1.00 2.33 H new ATOM 0 HB3 LEU A 73 5.205 1.382 1.079 1.00 2.33 H new ATOM 0 HG LEU A 73 5.558 2.591 3.058 1.00 2.31 H new ATOM 0 HD11 LEU A 73 6.728 1.041 4.625 1.00 4.40 H new ATOM 0 HD12 LEU A 73 5.673 0.176 3.481 1.00 4.40 H new ATOM 0 HD13 LEU A 73 7.435 0.191 3.231 1.00 4.40 H new ATOM 0 HD21 LEU A 73 7.742 3.213 4.028 1.00 14.13 H new ATOM 0 HD22 LEU A 73 8.556 2.542 2.594 1.00 14.13 H new ATOM 0 HD23 LEU A 73 7.471 3.942 2.428 1.00 14.13 H new ATOM 1199 N LEU A 74 6.868 0.720 -1.838 1.00 14.40 N ATOM 1200 CA LEU A 74 6.417 0.283 -3.184 1.00 72.22 C ATOM 1201 C LEU A 74 6.993 -1.118 -3.529 1.00 74.33 C ATOM 1202 O LEU A 74 6.255 -2.023 -3.948 1.00 10.25 O ATOM 1203 CB LEU A 74 6.829 1.364 -4.231 1.00 14.31 C ATOM 1204 CG LEU A 74 6.137 1.320 -5.646 1.00 34.51 C ATOM 1205 CD1 LEU A 74 6.260 2.680 -6.357 1.00 32.20 C ATOM 1206 CD2 LEU A 74 6.683 0.200 -6.566 1.00 5.34 C ATOM 0 H LEU A 74 7.416 1.580 -1.852 1.00 14.40 H new ATOM 0 HA LEU A 74 5.332 0.184 -3.199 1.00 72.22 H new ATOM 0 HB2 LEU A 74 6.635 2.344 -3.794 1.00 14.31 H new ATOM 0 HB3 LEU A 74 7.906 1.290 -4.383 1.00 14.31 H new ATOM 0 HG LEU A 74 5.088 1.093 -5.456 1.00 34.51 H new ATOM 0 HD11 LEU A 74 5.775 2.626 -7.332 1.00 32.20 H new ATOM 0 HD12 LEU A 74 5.779 3.450 -5.755 1.00 32.20 H new ATOM 0 HD13 LEU A 74 7.313 2.928 -6.489 1.00 32.20 H new ATOM 0 HD21 LEU A 74 6.162 0.229 -7.523 1.00 5.34 H new ATOM 0 HD22 LEU A 74 7.750 0.351 -6.729 1.00 5.34 H new ATOM 0 HD23 LEU A 74 6.522 -0.769 -6.094 1.00 5.34 H new ATOM 1218 N GLU A 75 8.312 -1.278 -3.321 1.00 12.11 N ATOM 1219 CA GLU A 75 9.041 -2.540 -3.602 1.00 71.55 C ATOM 1220 C GLU A 75 8.564 -3.707 -2.688 1.00 51.43 C ATOM 1221 O GLU A 75 8.518 -4.864 -3.114 1.00 41.04 O ATOM 1222 CB GLU A 75 10.563 -2.299 -3.439 1.00 12.22 C ATOM 1223 CG GLU A 75 11.451 -3.526 -3.738 1.00 44.32 C ATOM 1224 CD GLU A 75 12.950 -3.216 -3.644 1.00 50.34 C ATOM 1225 OE1 GLU A 75 13.473 -3.102 -2.514 1.00 1.32 O ATOM 1226 OE2 GLU A 75 13.613 -3.070 -4.698 1.00 13.12 O ATOM 0 H GLU A 75 8.909 -0.538 -2.953 1.00 12.11 H new ATOM 0 HA GLU A 75 8.826 -2.838 -4.628 1.00 71.55 H new ATOM 0 HB2 GLU A 75 10.860 -1.484 -4.099 1.00 12.22 H new ATOM 0 HB3 GLU A 75 10.757 -1.969 -2.418 1.00 12.22 H new ATOM 0 HG2 GLU A 75 11.206 -4.325 -3.038 1.00 44.32 H new ATOM 0 HG3 GLU A 75 11.224 -3.897 -4.737 1.00 44.32 H new ATOM 1233 N GLU A 76 8.210 -3.377 -1.435 1.00 14.40 N ATOM 1234 CA GLU A 76 7.634 -4.339 -0.468 1.00 22.33 C ATOM 1235 C GLU A 76 6.248 -4.887 -0.925 1.00 33.41 C ATOM 1236 O GLU A 76 5.919 -6.052 -0.660 1.00 73.52 O ATOM 1237 CB GLU A 76 7.513 -3.659 0.918 1.00 52.01 C ATOM 1238 CG GLU A 76 8.842 -3.391 1.652 1.00 30.11 C ATOM 1239 CD GLU A 76 9.539 -4.686 2.099 1.00 44.34 C ATOM 1240 OE1 GLU A 76 8.989 -5.385 2.980 1.00 41.13 O ATOM 1241 OE2 GLU A 76 10.623 -5.015 1.579 1.00 3.52 O ATOM 0 H GLU A 76 8.314 -2.435 -1.059 1.00 14.40 H new ATOM 0 HA GLU A 76 8.306 -5.195 -0.408 1.00 22.33 H new ATOM 0 HB2 GLU A 76 6.992 -2.710 0.792 1.00 52.01 H new ATOM 0 HB3 GLU A 76 6.887 -4.284 1.555 1.00 52.01 H new ATOM 0 HG2 GLU A 76 9.509 -2.831 0.996 1.00 30.11 H new ATOM 0 HG3 GLU A 76 8.652 -2.765 2.524 1.00 30.11 H new ATOM 1248 N ILE A 77 5.443 -4.035 -1.600 1.00 33.50 N ATOM 1249 CA ILE A 77 4.134 -4.455 -2.176 1.00 22.51 C ATOM 1250 C ILE A 77 4.350 -5.375 -3.404 1.00 51.43 C ATOM 1251 O ILE A 77 3.568 -6.301 -3.639 1.00 34.53 O ATOM 1252 CB ILE A 77 3.245 -3.223 -2.598 1.00 2.01 C ATOM 1253 CG1 ILE A 77 3.099 -2.215 -1.426 1.00 34.40 C ATOM 1254 CG2 ILE A 77 1.839 -3.681 -3.076 1.00 25.43 C ATOM 1255 CD1 ILE A 77 2.449 -0.899 -1.807 1.00 20.33 C ATOM 0 H ILE A 77 5.671 -3.054 -1.762 1.00 33.50 H new ATOM 0 HA ILE A 77 3.607 -5.000 -1.393 1.00 22.51 H new ATOM 0 HB ILE A 77 3.750 -2.728 -3.427 1.00 2.01 H new ATOM 0 HG12 ILE A 77 2.512 -2.680 -0.634 1.00 34.40 H new ATOM 0 HG13 ILE A 77 4.087 -2.012 -1.013 1.00 34.40 H new ATOM 0 HG21 ILE A 77 1.249 -2.809 -3.360 1.00 25.43 H new ATOM 0 HG22 ILE A 77 1.945 -4.343 -3.935 1.00 25.43 H new ATOM 0 HG23 ILE A 77 1.335 -4.212 -2.268 1.00 25.43 H new ATOM 0 HD11 ILE A 77 2.387 -0.256 -0.929 1.00 20.33 H new ATOM 0 HD12 ILE A 77 3.046 -0.407 -2.575 1.00 20.33 H new ATOM 0 HD13 ILE A 77 1.446 -1.086 -2.191 1.00 20.33 H new ATOM 1267 N GLU A 78 5.421 -5.105 -4.180 1.00 61.25 N ATOM 1268 CA GLU A 78 5.845 -5.969 -5.315 1.00 53.44 C ATOM 1269 C GLU A 78 6.108 -7.425 -4.843 1.00 1.10 C ATOM 1270 O GLU A 78 5.754 -8.387 -5.534 1.00 3.11 O ATOM 1271 CB GLU A 78 7.097 -5.340 -6.002 1.00 11.33 C ATOM 1272 CG GLU A 78 7.757 -6.165 -7.153 1.00 50.43 C ATOM 1273 CD GLU A 78 9.025 -6.950 -6.716 1.00 13.41 C ATOM 1274 OE1 GLU A 78 10.108 -6.328 -6.596 1.00 41.24 O ATOM 1275 OE2 GLU A 78 8.952 -8.183 -6.499 1.00 21.34 O ATOM 0 H GLU A 78 6.016 -4.288 -4.043 1.00 61.25 H new ATOM 0 HA GLU A 78 5.041 -6.023 -6.049 1.00 53.44 H new ATOM 0 HB2 GLU A 78 6.812 -4.367 -6.402 1.00 11.33 H new ATOM 0 HB3 GLU A 78 7.851 -5.162 -5.236 1.00 11.33 H new ATOM 0 HG2 GLU A 78 7.025 -6.868 -7.549 1.00 50.43 H new ATOM 0 HG3 GLU A 78 8.022 -5.489 -7.966 1.00 50.43 H new ATOM 1282 N LYS A 79 6.688 -7.555 -3.631 1.00 42.31 N ATOM 1283 CA LYS A 79 6.938 -8.868 -2.984 1.00 12.42 C ATOM 1284 C LYS A 79 5.612 -9.568 -2.578 1.00 51.54 C ATOM 1285 O LYS A 79 5.527 -10.802 -2.572 1.00 75.11 O ATOM 1286 CB LYS A 79 7.862 -8.694 -1.740 1.00 31.02 C ATOM 1287 CG LYS A 79 9.173 -7.908 -2.006 1.00 4.53 C ATOM 1288 CD LYS A 79 9.985 -8.456 -3.205 1.00 21.53 C ATOM 1289 CE LYS A 79 11.213 -7.593 -3.551 1.00 74.20 C ATOM 1290 NZ LYS A 79 11.826 -8.018 -4.837 1.00 31.24 N ATOM 0 H LYS A 79 6.996 -6.759 -3.073 1.00 42.31 H new ATOM 0 HA LYS A 79 7.440 -9.505 -3.712 1.00 12.42 H new ATOM 0 HB2 LYS A 79 7.301 -8.183 -0.958 1.00 31.02 H new ATOM 0 HB3 LYS A 79 8.119 -9.681 -1.355 1.00 31.02 H new ATOM 0 HG2 LYS A 79 8.930 -6.861 -2.189 1.00 4.53 H new ATOM 0 HG3 LYS A 79 9.795 -7.939 -1.111 1.00 4.53 H new ATOM 0 HD2 LYS A 79 10.314 -9.470 -2.980 1.00 21.53 H new ATOM 0 HD3 LYS A 79 9.335 -8.518 -4.078 1.00 21.53 H new ATOM 0 HE2 LYS A 79 10.918 -6.546 -3.615 1.00 74.20 H new ATOM 0 HE3 LYS A 79 11.950 -7.668 -2.752 1.00 74.20 H new ATOM 0 HZ1 LYS A 79 12.842 -7.795 -4.828 1.00 31.24 H new ATOM 0 HZ2 LYS A 79 11.697 -9.042 -4.961 1.00 31.24 H new ATOM 0 HZ3 LYS A 79 11.368 -7.514 -5.623 1.00 31.24 H new ATOM 1304 N LEU A 80 4.583 -8.758 -2.239 1.00 32.12 N ATOM 1305 CA LEU A 80 3.239 -9.267 -1.862 1.00 12.34 C ATOM 1306 C LEU A 80 2.508 -9.832 -3.119 1.00 33.14 C ATOM 1307 O LEU A 80 1.920 -10.913 -3.059 1.00 12.22 O ATOM 1308 CB LEU A 80 2.396 -8.135 -1.167 1.00 21.24 C ATOM 1309 CG LEU A 80 1.352 -8.573 -0.067 1.00 65.25 C ATOM 1310 CD1 LEU A 80 0.285 -9.557 -0.592 1.00 31.21 C ATOM 1311 CD2 LEU A 80 2.061 -9.153 1.168 1.00 73.31 C ATOM 0 H LEU A 80 4.657 -7.741 -2.218 1.00 32.12 H new ATOM 0 HA LEU A 80 3.355 -10.080 -1.145 1.00 12.34 H new ATOM 0 HB2 LEU A 80 3.091 -7.431 -0.709 1.00 21.24 H new ATOM 0 HB3 LEU A 80 1.858 -7.592 -1.944 1.00 21.24 H new ATOM 0 HG LEU A 80 0.821 -7.665 0.221 1.00 65.25 H new ATOM 0 HD11 LEU A 80 -0.400 -9.816 0.216 1.00 31.21 H new ATOM 0 HD12 LEU A 80 -0.272 -9.090 -1.404 1.00 31.21 H new ATOM 0 HD13 LEU A 80 0.772 -10.460 -0.959 1.00 31.21 H new ATOM 0 HD21 LEU A 80 1.318 -9.446 1.910 1.00 73.31 H new ATOM 0 HD22 LEU A 80 2.646 -10.025 0.876 1.00 73.31 H new ATOM 0 HD23 LEU A 80 2.722 -8.399 1.595 1.00 73.31 H new ATOM 1323 N LEU A 81 2.552 -9.096 -4.252 1.00 53.30 N ATOM 1324 CA LEU A 81 1.936 -9.552 -5.534 1.00 74.11 C ATOM 1325 C LEU A 81 2.676 -10.779 -6.126 1.00 14.44 C ATOM 1326 O LEU A 81 2.062 -11.625 -6.788 1.00 1.41 O ATOM 1327 CB LEU A 81 1.868 -8.404 -6.598 1.00 52.11 C ATOM 1328 CG LEU A 81 0.662 -7.408 -6.480 1.00 43.14 C ATOM 1329 CD1 LEU A 81 0.751 -6.535 -5.217 1.00 40.33 C ATOM 1330 CD2 LEU A 81 0.533 -6.534 -7.752 1.00 53.20 C ATOM 0 H LEU A 81 3.005 -8.184 -4.312 1.00 53.30 H new ATOM 0 HA LEU A 81 0.916 -9.849 -5.290 1.00 74.11 H new ATOM 0 HB2 LEU A 81 2.792 -7.829 -6.538 1.00 52.11 H new ATOM 0 HB3 LEU A 81 1.839 -8.859 -7.588 1.00 52.11 H new ATOM 0 HG LEU A 81 -0.241 -8.012 -6.389 1.00 43.14 H new ATOM 0 HD11 LEU A 81 -0.105 -5.862 -5.179 1.00 40.33 H new ATOM 0 HD12 LEU A 81 0.751 -7.173 -4.333 1.00 40.33 H new ATOM 0 HD13 LEU A 81 1.671 -5.951 -5.243 1.00 40.33 H new ATOM 0 HD21 LEU A 81 -0.311 -5.853 -7.642 1.00 53.20 H new ATOM 0 HD22 LEU A 81 1.448 -5.958 -7.892 1.00 53.20 H new ATOM 0 HD23 LEU A 81 0.372 -7.175 -8.619 1.00 53.20 H new ATOM 1342 N LYS A 82 3.995 -10.851 -5.889 1.00 21.42 N ATOM 1343 CA LYS A 82 4.838 -11.981 -6.330 1.00 0.20 C ATOM 1344 C LYS A 82 4.409 -13.302 -5.632 1.00 71.31 C ATOM 1345 O LYS A 82 4.140 -14.314 -6.290 1.00 74.34 O ATOM 1346 CB LYS A 82 6.328 -11.652 -6.035 1.00 34.31 C ATOM 1347 CG LYS A 82 7.344 -12.697 -6.547 1.00 60.45 C ATOM 1348 CD LYS A 82 8.810 -12.287 -6.266 1.00 75.21 C ATOM 1349 CE LYS A 82 9.823 -13.291 -6.843 1.00 14.11 C ATOM 1350 NZ LYS A 82 11.229 -12.847 -6.654 1.00 24.23 N ATOM 0 H LYS A 82 4.511 -10.129 -5.386 1.00 21.42 H new ATOM 0 HA LYS A 82 4.710 -12.126 -7.403 1.00 0.20 H new ATOM 0 HB2 LYS A 82 6.566 -10.687 -6.482 1.00 34.31 H new ATOM 0 HB3 LYS A 82 6.454 -11.544 -4.958 1.00 34.31 H new ATOM 0 HG2 LYS A 82 7.142 -13.658 -6.073 1.00 60.45 H new ATOM 0 HG3 LYS A 82 7.208 -12.836 -7.620 1.00 60.45 H new ATOM 0 HD2 LYS A 82 8.997 -11.302 -6.693 1.00 75.21 H new ATOM 0 HD3 LYS A 82 8.960 -12.202 -5.190 1.00 75.21 H new ATOM 0 HE2 LYS A 82 9.683 -14.260 -6.364 1.00 14.11 H new ATOM 0 HE3 LYS A 82 9.628 -13.430 -7.906 1.00 14.11 H new ATOM 0 HZ1 LYS A 82 11.874 -13.555 -7.059 1.00 24.23 H new ATOM 0 HZ2 LYS A 82 11.372 -11.935 -7.133 1.00 24.23 H new ATOM 0 HZ3 LYS A 82 11.426 -12.740 -5.638 1.00 24.23 H new ATOM 1364 N LYS A 83 4.350 -13.257 -4.292 1.00 34.12 N ATOM 1365 CA LYS A 83 3.991 -14.418 -3.445 1.00 42.51 C ATOM 1366 C LYS A 83 2.468 -14.763 -3.490 1.00 30.12 C ATOM 1367 O LYS A 83 2.079 -15.885 -3.836 1.00 74.14 O ATOM 1368 CB LYS A 83 4.440 -14.116 -1.989 1.00 62.24 C ATOM 1369 CG LYS A 83 4.243 -15.270 -0.979 1.00 34.34 C ATOM 1370 CD LYS A 83 4.755 -14.909 0.439 1.00 3.32 C ATOM 1371 CE LYS A 83 6.258 -14.575 0.465 1.00 74.21 C ATOM 1372 NZ LYS A 83 6.729 -14.210 1.830 1.00 1.32 N ATOM 0 H LYS A 83 4.550 -12.412 -3.757 1.00 34.12 H new ATOM 0 HA LYS A 83 4.505 -15.296 -3.835 1.00 42.51 H new ATOM 0 HB2 LYS A 83 5.495 -13.844 -2.002 1.00 62.24 H new ATOM 0 HB3 LYS A 83 3.891 -13.245 -1.631 1.00 62.24 H new ATOM 0 HG2 LYS A 83 3.185 -15.526 -0.926 1.00 34.34 H new ATOM 0 HG3 LYS A 83 4.768 -16.156 -1.337 1.00 34.34 H new ATOM 0 HD2 LYS A 83 4.192 -14.056 0.817 1.00 3.32 H new ATOM 0 HD3 LYS A 83 4.561 -15.743 1.113 1.00 3.32 H new ATOM 0 HE2 LYS A 83 6.825 -15.433 0.104 1.00 74.21 H new ATOM 0 HE3 LYS A 83 6.457 -13.750 -0.219 1.00 74.21 H new ATOM 0 HZ1 LYS A 83 7.746 -13.993 1.800 1.00 1.32 H new ATOM 0 HZ2 LYS A 83 6.207 -13.376 2.166 1.00 1.32 H new ATOM 0 HZ3 LYS A 83 6.564 -15.006 2.479 1.00 1.32 H new ATOM 1386 N ALA A 84 1.621 -13.770 -3.161 1.00 32.52 N ATOM 1387 CA ALA A 84 0.167 -13.971 -2.893 1.00 61.11 C ATOM 1388 C ALA A 84 -0.760 -13.472 -4.028 1.00 2.11 C ATOM 1389 O ALA A 84 -1.912 -13.920 -4.120 1.00 22.12 O ATOM 1390 CB ALA A 84 -0.206 -13.265 -1.583 1.00 3.31 C ATOM 0 H ALA A 84 1.918 -12.798 -3.071 1.00 32.52 H new ATOM 0 HA ALA A 84 0.011 -15.048 -2.824 1.00 61.11 H new ATOM 0 HB1 ALA A 84 -1.268 -13.408 -1.382 1.00 3.31 H new ATOM 0 HB2 ALA A 84 0.378 -13.685 -0.764 1.00 3.31 H new ATOM 0 HB3 ALA A 84 0.006 -12.199 -1.671 1.00 3.31 H new