USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 850 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 29 TYR OH : rot 30:sc= 0.152 USER MOD Set 1.2: A 97 THR OG1 : rot -104:sc= 0.0455 USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00154) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -152:sc= -0.0432 (180deg=-0.534) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-11!) USER MOD Single : A 39 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.054) USER MOD Single : A 40 LYS NZ :NH3+ -145:sc= 0.00417 (180deg=-0.333) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.701 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -140:sc= -0.403 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -89:sc= 0.3 USER MOD Single : A 72 SER OG : rot 180:sc= -0.11 USER MOD Single : A 74 ASN : amide:sc= -0.0758 K(o=-0.076,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -93:sc= 1.88 USER MOD Single : A 80 ASN : amide:sc= -0.811 K(o=-0.81,f=-5.8!) USER MOD Single : A 81 THR OG1 : rot 72:sc= 0.278 USER MOD Single : A 83 CYS SG : rot 76:sc= -0.0095 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.288 USER MOD Single : A 89 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-0.53) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.2!) USER MOD Single : A 107 HIS : no HD1:sc= 0.409 K(o=0.41,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 4.015 7.026 -3.925 1.00 70.22 N ATOM 103 CA ARG A 9 5.071 7.998 -4.184 1.00 25.33 C ATOM 104 C ARG A 9 5.985 7.522 -5.309 1.00 71.41 C ATOM 105 O ARG A 9 5.680 6.550 -6.001 1.00 52.22 O ATOM 106 CB ARG A 9 5.890 8.243 -2.916 1.00 3.13 C ATOM 107 CG ARG A 9 5.044 8.591 -1.702 1.00 4.10 C ATOM 108 CD ARG A 9 5.510 9.883 -1.050 1.00 63.12 C ATOM 109 NE ARG A 9 4.725 10.212 0.138 1.00 34.42 N ATOM 110 CZ ARG A 9 5.121 11.077 1.064 1.00 24.05 C ATOM 111 NH1 ARG A 9 6.286 11.700 0.940 1.00 25.45 N ATOM 112 NH2 ARG A 9 4.352 11.322 2.116 1.00 4.52 N ATOM 0 HA ARG A 9 4.602 8.933 -4.492 1.00 25.33 H new ATOM 0 HB2 ARG A 9 6.478 7.352 -2.695 1.00 3.13 H new ATOM 0 HB3 ARG A 9 6.596 9.053 -3.100 1.00 3.13 H new ATOM 0 HG2 ARG A 9 4.000 8.689 -2.001 1.00 4.10 H new ATOM 0 HG3 ARG A 9 5.094 7.778 -0.978 1.00 4.10 H new ATOM 0 HD2 ARG A 9 6.561 9.792 -0.776 1.00 63.12 H new ATOM 0 HD3 ARG A 9 5.438 10.699 -1.769 1.00 63.12 H new ATOM 0 HE ARG A 9 3.823 9.752 0.263 1.00 34.42 H new ATOM 0 HH11 ARG A 9 6.880 11.515 0.132 1.00 25.45 H new ATOM 0 HH12 ARG A 9 6.588 12.364 1.653 1.00 25.45 H new ATOM 0 HH21 ARG A 9 3.455 10.846 2.214 1.00 4.52 H new ATOM 0 HH22 ARG A 9 4.657 11.987 2.827 1.00 4.52 H new ATOM 126 N GLY A 10 7.107 8.212 -5.486 1.00 44.41 N ATOM 127 CA GLY A 10 8.048 7.845 -6.528 1.00 63.31 C ATOM 128 C GLY A 10 9.018 6.769 -6.081 1.00 4.14 C ATOM 129 O GLY A 10 8.942 5.627 -6.533 1.00 31.43 O ATOM 0 H GLY A 10 7.381 9.019 -4.926 1.00 44.41 H new ATOM 0 HA2 GLY A 10 7.499 7.494 -7.402 1.00 63.31 H new ATOM 0 HA3 GLY A 10 8.607 8.729 -6.836 1.00 63.31 H new ATOM 133 N LYS A 11 9.934 7.135 -5.191 1.00 11.15 N ATOM 134 CA LYS A 11 10.925 6.194 -4.682 1.00 2.14 C ATOM 135 C LYS A 11 10.259 5.094 -3.861 1.00 41.12 C ATOM 136 O LYS A 11 10.753 3.968 -3.797 1.00 64.35 O ATOM 137 CB LYS A 11 11.962 6.926 -3.828 1.00 21.21 C ATOM 138 CG LYS A 11 13.326 6.258 -3.820 1.00 31.23 C ATOM 139 CD LYS A 11 14.245 6.876 -2.780 1.00 24.33 C ATOM 140 CE LYS A 11 15.035 5.813 -2.032 1.00 64.11 C ATOM 141 NZ LYS A 11 14.188 5.084 -1.045 1.00 13.54 N ATOM 0 H LYS A 11 10.011 8.077 -4.807 1.00 11.15 H new ATOM 0 HA LYS A 11 11.425 5.735 -5.535 1.00 2.14 H new ATOM 0 HB2 LYS A 11 12.069 7.946 -4.197 1.00 21.21 H new ATOM 0 HB3 LYS A 11 11.594 6.994 -2.804 1.00 21.21 H new ATOM 0 HG2 LYS A 11 13.209 5.194 -3.617 1.00 31.23 H new ATOM 0 HG3 LYS A 11 13.781 6.346 -4.807 1.00 31.23 H new ATOM 0 HD2 LYS A 11 14.933 7.568 -3.266 1.00 24.33 H new ATOM 0 HD3 LYS A 11 13.655 7.458 -2.072 1.00 24.33 H new ATOM 0 HE2 LYS A 11 15.454 5.103 -2.745 1.00 64.11 H new ATOM 0 HE3 LYS A 11 15.874 6.280 -1.516 1.00 64.11 H new ATOM 0 HZ1 LYS A 11 14.770 4.392 -0.532 1.00 13.54 H new ATOM 0 HZ2 LYS A 11 13.781 5.762 -0.370 1.00 13.54 H new ATOM 0 HZ3 LYS A 11 13.421 4.589 -1.544 1.00 13.54 H new ATOM 155 N LYS A 12 9.135 5.427 -3.236 1.00 51.32 N ATOM 156 CA LYS A 12 8.399 4.468 -2.421 1.00 41.43 C ATOM 157 C LYS A 12 7.699 3.435 -3.297 1.00 62.31 C ATOM 158 O LYS A 12 7.651 2.252 -2.961 1.00 73.44 O ATOM 159 CB LYS A 12 7.372 5.191 -1.547 1.00 1.42 C ATOM 160 CG LYS A 12 7.029 4.447 -0.269 1.00 62.02 C ATOM 161 CD LYS A 12 6.701 5.405 0.864 1.00 32.04 C ATOM 162 CE LYS A 12 7.944 5.774 1.659 1.00 13.44 C ATOM 163 NZ LYS A 12 8.048 7.243 1.875 1.00 40.54 N ATOM 0 H LYS A 12 8.713 6.355 -3.278 1.00 51.32 H new ATOM 0 HA LYS A 12 9.113 3.951 -1.779 1.00 41.43 H new ATOM 0 HB2 LYS A 12 7.757 6.178 -1.291 1.00 1.42 H new ATOM 0 HB3 LYS A 12 6.460 5.344 -2.124 1.00 1.42 H new ATOM 0 HG2 LYS A 12 6.179 3.789 -0.447 1.00 62.02 H new ATOM 0 HG3 LYS A 12 7.868 3.814 0.020 1.00 62.02 H new ATOM 0 HD2 LYS A 12 6.246 6.308 0.458 1.00 32.04 H new ATOM 0 HD3 LYS A 12 5.966 4.948 1.527 1.00 32.04 H new ATOM 0 HE2 LYS A 12 7.923 5.266 2.623 1.00 13.44 H new ATOM 0 HE3 LYS A 12 8.830 5.421 1.132 1.00 13.44 H new ATOM 0 HZ1 LYS A 12 8.908 7.454 2.420 1.00 40.54 H new ATOM 0 HZ2 LYS A 12 8.094 7.727 0.955 1.00 40.54 H new ATOM 0 HZ3 LYS A 12 7.215 7.577 2.400 1.00 40.54 H new ATOM 177 N ALA A 13 7.157 3.889 -4.423 1.00 41.15 N ATOM 178 CA ALA A 13 6.462 3.003 -5.348 1.00 72.12 C ATOM 179 C ALA A 13 7.335 1.811 -5.727 1.00 34.40 C ATOM 180 O ALA A 13 6.843 0.694 -5.885 1.00 63.11 O ATOM 181 CB ALA A 13 6.040 3.767 -6.594 1.00 1.41 C ATOM 0 H ALA A 13 7.186 4.866 -4.716 1.00 41.15 H new ATOM 0 HA ALA A 13 5.571 2.623 -4.848 1.00 72.12 H new ATOM 0 HB1 ALA A 13 5.522 3.093 -7.276 1.00 1.41 H new ATOM 0 HB2 ALA A 13 5.373 4.582 -6.313 1.00 1.41 H new ATOM 0 HB3 ALA A 13 6.922 4.175 -7.087 1.00 1.41 H new ATOM 187 N ASP A 14 8.632 2.057 -5.871 1.00 34.02 N ATOM 188 CA ASP A 14 9.575 1.003 -6.231 1.00 21.03 C ATOM 189 C ASP A 14 9.579 -0.104 -5.183 1.00 25.23 C ATOM 190 O ASP A 14 9.232 -1.248 -5.474 1.00 65.15 O ATOM 191 CB ASP A 14 10.983 1.581 -6.387 1.00 61.41 C ATOM 192 CG ASP A 14 11.865 0.722 -7.273 1.00 53.10 C ATOM 193 OD1 ASP A 14 12.257 -0.378 -6.832 1.00 31.32 O ATOM 194 OD2 ASP A 14 12.163 1.152 -8.406 1.00 10.12 O ATOM 0 H ASP A 14 9.055 2.976 -5.744 1.00 34.02 H new ATOM 0 HA ASP A 14 9.259 0.576 -7.182 1.00 21.03 H new ATOM 0 HB2 ASP A 14 10.917 2.584 -6.808 1.00 61.41 H new ATOM 0 HB3 ASP A 14 11.444 1.678 -5.404 1.00 61.41 H new ATOM 199 N GLU A 15 9.975 0.244 -3.962 1.00 2.14 N ATOM 200 CA GLU A 15 10.026 -0.722 -2.871 1.00 22.14 C ATOM 201 C GLU A 15 8.651 -1.338 -2.627 1.00 32.41 C ATOM 202 O GLU A 15 8.539 -2.510 -2.263 1.00 52.01 O ATOM 203 CB GLU A 15 10.532 -0.054 -1.592 1.00 11.40 C ATOM 204 CG GLU A 15 12.045 -0.066 -1.456 1.00 75.44 C ATOM 205 CD GLU A 15 12.502 0.019 -0.012 1.00 34.24 C ATOM 206 OE1 GLU A 15 11.769 -0.471 0.872 1.00 22.12 O ATOM 207 OE2 GLU A 15 13.592 0.576 0.233 1.00 34.11 O ATOM 0 H GLU A 15 10.265 1.187 -3.704 1.00 2.14 H new ATOM 0 HA GLU A 15 10.717 -1.516 -3.154 1.00 22.14 H new ATOM 0 HB2 GLU A 15 10.182 0.978 -1.568 1.00 11.40 H new ATOM 0 HB3 GLU A 15 10.094 -0.559 -0.731 1.00 11.40 H new ATOM 0 HG2 GLU A 15 12.439 -0.978 -1.905 1.00 75.44 H new ATOM 0 HG3 GLU A 15 12.463 0.771 -2.015 1.00 75.44 H new ATOM 214 N LEU A 16 7.607 -0.542 -2.828 1.00 13.41 N ATOM 215 CA LEU A 16 6.239 -1.007 -2.628 1.00 33.02 C ATOM 216 C LEU A 16 5.868 -2.064 -3.664 1.00 63.42 C ATOM 217 O LEU A 16 5.347 -3.126 -3.322 1.00 52.53 O ATOM 218 CB LEU A 16 5.263 0.168 -2.709 1.00 74.31 C ATOM 219 CG LEU A 16 3.800 -0.154 -2.402 1.00 30.21 C ATOM 220 CD1 LEU A 16 3.102 -0.695 -3.641 1.00 43.42 C ATOM 221 CD2 LEU A 16 3.702 -1.149 -1.255 1.00 44.24 C ATOM 0 H LEU A 16 7.682 0.430 -3.130 1.00 13.41 H new ATOM 0 HA LEU A 16 6.174 -1.456 -1.637 1.00 33.02 H new ATOM 0 HB2 LEU A 16 5.597 0.941 -2.017 1.00 74.31 H new ATOM 0 HB3 LEU A 16 5.318 0.592 -3.711 1.00 74.31 H new ATOM 0 HG LEU A 16 3.300 0.767 -2.101 1.00 30.21 H new ATOM 0 HD11 LEU A 16 2.062 -0.919 -3.404 1.00 43.42 H new ATOM 0 HD12 LEU A 16 3.141 0.050 -4.435 1.00 43.42 H new ATOM 0 HD13 LEU A 16 3.602 -1.605 -3.972 1.00 43.42 H new ATOM 0 HD21 LEU A 16 2.654 -1.366 -1.050 1.00 44.24 H new ATOM 0 HD22 LEU A 16 4.217 -2.070 -1.527 1.00 44.24 H new ATOM 0 HD23 LEU A 16 4.165 -0.724 -0.364 1.00 44.24 H new ATOM 233 N GLU A 17 6.142 -1.766 -4.930 1.00 22.41 N ATOM 234 CA GLU A 17 5.836 -2.692 -6.015 1.00 52.22 C ATOM 235 C GLU A 17 6.895 -3.788 -6.109 1.00 11.52 C ATOM 236 O GLU A 17 6.771 -4.718 -6.905 1.00 60.34 O ATOM 237 CB GLU A 17 5.745 -1.941 -7.345 1.00 31.42 C ATOM 238 CG GLU A 17 4.482 -1.108 -7.488 1.00 41.10 C ATOM 239 CD GLU A 17 3.243 -1.957 -7.697 1.00 13.55 C ATOM 240 OE1 GLU A 17 3.383 -3.097 -8.189 1.00 43.33 O ATOM 241 OE2 GLU A 17 2.135 -1.481 -7.372 1.00 74.34 O ATOM 0 H GLU A 17 6.575 -0.892 -5.230 1.00 22.41 H new ATOM 0 HA GLU A 17 4.874 -3.157 -5.802 1.00 52.22 H new ATOM 0 HB2 GLU A 17 6.613 -1.290 -7.445 1.00 31.42 H new ATOM 0 HB3 GLU A 17 5.790 -2.660 -8.163 1.00 31.42 H new ATOM 0 HG2 GLU A 17 4.352 -0.496 -6.595 1.00 41.10 H new ATOM 0 HG3 GLU A 17 4.596 -0.424 -8.329 1.00 41.10 H new ATOM 248 N ARG A 18 7.935 -3.668 -5.291 1.00 74.15 N ATOM 249 CA ARG A 18 9.016 -4.647 -5.282 1.00 51.11 C ATOM 250 C ARG A 18 8.658 -5.846 -4.409 1.00 3.33 C ATOM 251 O ARG A 18 8.858 -6.995 -4.804 1.00 23.41 O ATOM 252 CB ARG A 18 10.310 -4.005 -4.778 1.00 0.50 C ATOM 253 CG ARG A 18 11.263 -3.600 -5.891 1.00 53.23 C ATOM 254 CD ARG A 18 12.476 -4.516 -5.947 1.00 65.14 C ATOM 255 NE ARG A 18 13.548 -3.955 -6.764 1.00 45.44 N ATOM 256 CZ ARG A 18 13.522 -3.925 -8.091 1.00 71.31 C ATOM 257 NH1 ARG A 18 12.483 -4.421 -8.749 1.00 62.13 N ATOM 258 NH2 ARG A 18 14.537 -3.398 -8.764 1.00 4.32 N ATOM 0 H ARG A 18 8.052 -2.903 -4.626 1.00 74.15 H new ATOM 0 HA ARG A 18 9.164 -4.995 -6.304 1.00 51.11 H new ATOM 0 HB2 ARG A 18 10.062 -3.124 -4.185 1.00 0.50 H new ATOM 0 HB3 ARG A 18 10.817 -4.704 -4.113 1.00 0.50 H new ATOM 0 HG2 ARG A 18 10.740 -3.628 -6.847 1.00 53.23 H new ATOM 0 HG3 ARG A 18 11.589 -2.572 -5.736 1.00 53.23 H new ATOM 0 HD2 ARG A 18 12.845 -4.692 -4.936 1.00 65.14 H new ATOM 0 HD3 ARG A 18 12.181 -5.484 -6.351 1.00 65.14 H new ATOM 0 HE ARG A 18 14.362 -3.565 -6.289 1.00 45.44 H new ATOM 0 HH11 ARG A 18 11.701 -4.827 -8.236 1.00 62.13 H new ATOM 0 HH12 ARG A 18 12.466 -4.396 -9.769 1.00 62.13 H new ATOM 0 HH21 ARG A 18 15.338 -3.015 -8.262 1.00 4.32 H new ATOM 0 HH22 ARG A 18 14.516 -3.375 -9.784 1.00 4.32 H new ATOM 272 N ILE A 19 8.127 -5.570 -3.222 1.00 21.04 N ATOM 273 CA ILE A 19 7.740 -6.625 -2.296 1.00 72.14 C ATOM 274 C ILE A 19 6.818 -7.637 -2.967 1.00 5.35 C ATOM 275 O ILE A 19 5.892 -7.265 -3.690 1.00 40.44 O ATOM 276 CB ILE A 19 7.035 -6.052 -1.052 1.00 72.31 C ATOM 277 CG1 ILE A 19 7.956 -5.069 -0.324 1.00 24.44 C ATOM 278 CG2 ILE A 19 6.609 -7.176 -0.119 1.00 4.12 C ATOM 279 CD1 ILE A 19 7.243 -3.834 0.181 1.00 21.41 C ATOM 0 H ILE A 19 7.955 -4.624 -2.880 1.00 21.04 H new ATOM 0 HA ILE A 19 8.658 -7.124 -1.986 1.00 72.14 H new ATOM 0 HB ILE A 19 6.143 -5.515 -1.374 1.00 72.31 H new ATOM 0 HG12 ILE A 19 8.424 -5.578 0.518 1.00 24.44 H new ATOM 0 HG13 ILE A 19 8.757 -4.766 -0.999 1.00 24.44 H new ATOM 0 HG21 ILE A 19 6.112 -6.755 0.755 1.00 4.12 H new ATOM 0 HG22 ILE A 19 5.922 -7.842 -0.641 1.00 4.12 H new ATOM 0 HG23 ILE A 19 7.487 -7.738 0.198 1.00 4.12 H new ATOM 0 HD11 ILE A 19 7.957 -3.183 0.686 1.00 21.41 H new ATOM 0 HD12 ILE A 19 6.798 -3.302 -0.660 1.00 21.41 H new ATOM 0 HD13 ILE A 19 6.460 -4.126 0.881 1.00 21.41 H new ATOM 291 N ARG A 20 7.075 -8.918 -2.724 1.00 15.35 N ATOM 292 CA ARG A 20 6.267 -9.983 -3.305 1.00 31.41 C ATOM 293 C ARG A 20 5.253 -10.508 -2.295 1.00 24.41 C ATOM 294 O ARG A 20 5.580 -10.735 -1.129 1.00 11.43 O ATOM 295 CB ARG A 20 7.163 -11.126 -3.786 1.00 33.44 C ATOM 296 CG ARG A 20 8.081 -10.739 -4.934 1.00 75.21 C ATOM 297 CD ARG A 20 9.470 -11.334 -4.760 1.00 55.54 C ATOM 298 NE ARG A 20 9.465 -12.788 -4.895 1.00 10.55 N ATOM 299 CZ ARG A 20 10.560 -13.536 -4.822 1.00 61.23 C ATOM 300 NH1 ARG A 20 11.742 -12.971 -4.615 1.00 64.43 N ATOM 301 NH2 ARG A 20 10.474 -14.854 -4.955 1.00 10.23 N ATOM 0 H ARG A 20 7.837 -9.243 -2.129 1.00 15.35 H new ATOM 0 HA ARG A 20 5.725 -9.571 -4.157 1.00 31.41 H new ATOM 0 HB2 ARG A 20 7.768 -11.478 -2.951 1.00 33.44 H new ATOM 0 HB3 ARG A 20 6.536 -11.961 -4.099 1.00 33.44 H new ATOM 0 HG2 ARG A 20 7.652 -11.082 -5.876 1.00 75.21 H new ATOM 0 HG3 ARG A 20 8.154 -9.653 -4.993 1.00 75.21 H new ATOM 0 HD2 ARG A 20 10.144 -10.904 -5.501 1.00 55.54 H new ATOM 0 HD3 ARG A 20 9.860 -11.063 -3.779 1.00 55.54 H new ATOM 0 HE ARG A 20 8.572 -13.255 -5.054 1.00 10.55 H new ATOM 0 HH11 ARG A 20 11.812 -11.959 -4.511 1.00 64.43 H new ATOM 0 HH12 ARG A 20 12.581 -13.549 -4.560 1.00 64.43 H new ATOM 0 HH21 ARG A 20 9.567 -15.292 -5.113 1.00 10.23 H new ATOM 0 HH22 ARG A 20 11.315 -15.428 -4.899 1.00 10.23 H new ATOM 315 N LEU A 21 4.019 -10.701 -2.749 1.00 45.33 N ATOM 316 CA LEU A 21 2.954 -11.199 -1.885 1.00 3.32 C ATOM 317 C LEU A 21 3.348 -12.528 -1.247 1.00 4.23 C ATOM 318 O LEU A 21 2.833 -12.898 -0.192 1.00 61.11 O ATOM 319 CB LEU A 21 1.659 -11.366 -2.683 1.00 55.25 C ATOM 320 CG LEU A 21 0.960 -10.074 -3.105 1.00 41.02 C ATOM 321 CD1 LEU A 21 0.045 -10.326 -4.293 1.00 64.55 C ATOM 322 CD2 LEU A 21 0.175 -9.488 -1.940 1.00 4.41 C ATOM 0 H LEU A 21 3.731 -10.520 -3.711 1.00 45.33 H new ATOM 0 HA LEU A 21 2.792 -10.470 -1.091 1.00 3.32 H new ATOM 0 HB2 LEU A 21 1.880 -11.945 -3.579 1.00 55.25 H new ATOM 0 HB3 LEU A 21 0.962 -11.955 -2.087 1.00 55.25 H new ATOM 0 HG LEU A 21 1.720 -9.353 -3.405 1.00 41.02 H new ATOM 0 HD11 LEU A 21 -0.444 -9.395 -4.579 1.00 64.55 H new ATOM 0 HD12 LEU A 21 0.632 -10.700 -5.132 1.00 64.55 H new ATOM 0 HD13 LEU A 21 -0.710 -11.064 -4.021 1.00 64.55 H new ATOM 0 HD21 LEU A 21 -0.316 -8.568 -2.258 1.00 4.41 H new ATOM 0 HD22 LEU A 21 -0.576 -10.205 -1.610 1.00 4.41 H new ATOM 0 HD23 LEU A 21 0.855 -9.270 -1.116 1.00 4.41 H new ATOM 334 N ARG A 22 4.265 -13.240 -1.894 1.00 4.45 N ATOM 335 CA ARG A 22 4.727 -14.527 -1.390 1.00 35.34 C ATOM 336 C ARG A 22 6.250 -14.616 -1.444 1.00 0.23 C ATOM 337 O ARG A 22 6.915 -13.877 -2.171 1.00 4.32 O ATOM 338 CB ARG A 22 4.111 -15.668 -2.201 1.00 65.41 C ATOM 339 CG ARG A 22 2.845 -16.239 -1.582 1.00 12.22 C ATOM 340 CD ARG A 22 1.741 -16.394 -2.617 1.00 11.23 C ATOM 341 NE ARG A 22 0.910 -15.196 -2.715 1.00 34.30 N ATOM 342 CZ ARG A 22 0.030 -14.991 -3.688 1.00 40.54 C ATOM 343 NH1 ARG A 22 -0.135 -15.897 -4.640 1.00 35.44 N ATOM 344 NH2 ARG A 22 -0.690 -13.876 -3.708 1.00 34.00 N ATOM 0 H ARG A 22 4.702 -12.947 -2.768 1.00 4.45 H new ATOM 0 HA ARG A 22 4.410 -14.617 -0.351 1.00 35.34 H new ATOM 0 HB2 ARG A 22 3.885 -15.308 -3.205 1.00 65.41 H new ATOM 0 HB3 ARG A 22 4.846 -16.466 -2.306 1.00 65.41 H new ATOM 0 HG2 ARG A 22 3.063 -17.208 -1.133 1.00 12.22 H new ATOM 0 HG3 ARG A 22 2.504 -15.585 -0.779 1.00 12.22 H new ATOM 0 HD2 ARG A 22 2.184 -16.609 -3.590 1.00 11.23 H new ATOM 0 HD3 ARG A 22 1.116 -17.248 -2.356 1.00 11.23 H new ATOM 0 HE ARG A 22 1.011 -14.478 -1.997 1.00 34.30 H new ATOM 0 HH11 ARG A 22 0.415 -16.756 -4.627 1.00 35.44 H new ATOM 0 HH12 ARG A 22 -0.812 -15.736 -5.386 1.00 35.44 H new ATOM 0 HH21 ARG A 22 -0.567 -13.176 -2.976 1.00 34.00 H new ATOM 0 HH22 ARG A 22 -1.366 -13.719 -4.456 1.00 34.00 H new ATOM 358 N PRO A 23 6.818 -15.542 -0.656 1.00 3.35 N ATOM 359 CA PRO A 23 8.267 -15.750 -0.597 1.00 13.53 C ATOM 360 C PRO A 23 8.818 -16.361 -1.880 1.00 55.13 C ATOM 361 O PRO A 23 9.948 -16.079 -2.279 1.00 10.52 O ATOM 362 CB PRO A 23 8.439 -16.719 0.575 1.00 2.33 C ATOM 363 CG PRO A 23 7.140 -17.443 0.660 1.00 63.20 C ATOM 364 CD PRO A 23 6.087 -16.457 0.235 1.00 73.51 C ATOM 0 HA PRO A 23 8.809 -14.812 -0.475 1.00 13.53 H new ATOM 0 HB2 PRO A 23 9.266 -17.408 0.401 1.00 2.33 H new ATOM 0 HB3 PRO A 23 8.657 -16.186 1.501 1.00 2.33 H new ATOM 0 HG2 PRO A 23 7.139 -18.319 0.012 1.00 63.20 H new ATOM 0 HG3 PRO A 23 6.956 -17.797 1.674 1.00 63.20 H new ATOM 0 HD2 PRO A 23 5.262 -16.948 -0.282 1.00 73.51 H new ATOM 0 HD3 PRO A 23 5.661 -15.931 1.089 1.00 73.51 H new ATOM 372 N GLY A 24 8.014 -17.202 -2.523 1.00 50.21 N ATOM 373 CA GLY A 24 8.440 -17.841 -3.755 1.00 42.13 C ATOM 374 C GLY A 24 7.516 -17.531 -4.917 1.00 14.01 C ATOM 375 O GLY A 24 7.448 -18.289 -5.882 1.00 22.14 O ATOM 0 H GLY A 24 7.075 -17.452 -2.213 1.00 50.21 H new ATOM 0 HA2 GLY A 24 9.450 -17.513 -4.000 1.00 42.13 H new ATOM 0 HA3 GLY A 24 8.482 -18.920 -3.606 1.00 42.13 H new ATOM 379 N GLY A 25 6.804 -16.412 -4.823 1.00 70.00 N ATOM 380 CA GLY A 25 5.889 -16.025 -5.881 1.00 73.22 C ATOM 381 C GLY A 25 6.448 -14.920 -6.755 1.00 44.43 C ATOM 382 O GLY A 25 7.576 -14.469 -6.554 1.00 43.21 O ATOM 0 H GLY A 25 6.844 -15.767 -4.034 1.00 70.00 H new ATOM 0 HA2 GLY A 25 5.664 -16.894 -6.499 1.00 73.22 H new ATOM 0 HA3 GLY A 25 4.948 -15.695 -5.441 1.00 73.22 H new ATOM 386 N LYS A 26 5.658 -14.481 -7.729 1.00 22.32 N ATOM 387 CA LYS A 26 6.078 -13.422 -8.638 1.00 54.45 C ATOM 388 C LYS A 26 5.096 -12.255 -8.606 1.00 71.13 C ATOM 389 O LYS A 26 5.219 -11.305 -9.379 1.00 51.23 O ATOM 390 CB LYS A 26 6.198 -13.963 -10.064 1.00 20.12 C ATOM 391 CG LYS A 26 7.051 -15.215 -10.170 1.00 24.30 C ATOM 392 CD LYS A 26 6.194 -16.466 -10.272 1.00 75.33 C ATOM 393 CE LYS A 26 6.886 -17.668 -9.644 1.00 10.33 C ATOM 394 NZ LYS A 26 7.183 -18.724 -10.650 1.00 1.13 N ATOM 0 H LYS A 26 4.722 -14.843 -7.909 1.00 22.32 H new ATOM 0 HA LYS A 26 7.053 -13.062 -8.310 1.00 54.45 H new ATOM 0 HB2 LYS A 26 5.201 -14.180 -10.446 1.00 20.12 H new ATOM 0 HB3 LYS A 26 6.623 -13.189 -10.703 1.00 20.12 H new ATOM 0 HG2 LYS A 26 7.697 -15.143 -11.045 1.00 24.30 H new ATOM 0 HG3 LYS A 26 7.701 -15.288 -9.298 1.00 24.30 H new ATOM 0 HD2 LYS A 26 5.238 -16.295 -9.777 1.00 75.33 H new ATOM 0 HD3 LYS A 26 5.977 -16.676 -11.319 1.00 75.33 H new ATOM 0 HE2 LYS A 26 7.813 -17.347 -9.170 1.00 10.33 H new ATOM 0 HE3 LYS A 26 6.254 -18.082 -8.859 1.00 10.33 H new ATOM 0 HZ1 LYS A 26 7.654 -19.525 -10.183 1.00 1.13 H new ATOM 0 HZ2 LYS A 26 6.296 -19.049 -11.084 1.00 1.13 H new ATOM 0 HZ3 LYS A 26 7.807 -18.337 -11.386 1.00 1.13 H new ATOM 408 N LYS A 27 4.120 -12.334 -7.708 1.00 53.24 N ATOM 409 CA LYS A 27 3.118 -11.284 -7.571 1.00 21.45 C ATOM 410 C LYS A 27 3.600 -10.190 -6.625 1.00 14.02 C ATOM 411 O LYS A 27 4.132 -10.473 -5.552 1.00 62.33 O ATOM 412 CB LYS A 27 1.800 -11.871 -7.060 1.00 30.30 C ATOM 413 CG LYS A 27 1.258 -12.995 -7.927 1.00 2.25 C ATOM 414 CD LYS A 27 -0.104 -12.646 -8.503 1.00 34.34 C ATOM 415 CE LYS A 27 -0.930 -13.895 -8.774 1.00 3.41 C ATOM 416 NZ LYS A 27 -0.480 -14.602 -10.005 1.00 22.13 N ATOM 0 H LYS A 27 4.002 -13.116 -7.063 1.00 53.24 H new ATOM 0 HA LYS A 27 2.955 -10.843 -8.554 1.00 21.45 H new ATOM 0 HB2 LYS A 27 1.947 -12.244 -6.046 1.00 30.30 H new ATOM 0 HB3 LYS A 27 1.056 -11.076 -7.003 1.00 30.30 H new ATOM 0 HG2 LYS A 27 1.956 -13.199 -8.739 1.00 2.25 H new ATOM 0 HG3 LYS A 27 1.181 -13.908 -7.336 1.00 2.25 H new ATOM 0 HD2 LYS A 27 -0.639 -11.998 -7.809 1.00 34.34 H new ATOM 0 HD3 LYS A 27 0.024 -12.085 -9.429 1.00 34.34 H new ATOM 0 HE2 LYS A 27 -0.858 -14.570 -7.921 1.00 3.41 H new ATOM 0 HE3 LYS A 27 -1.980 -13.621 -8.876 1.00 3.41 H new ATOM 0 HZ1 LYS A 27 -1.068 -15.447 -10.154 1.00 22.13 H new ATOM 0 HZ2 LYS A 27 -0.572 -13.967 -10.823 1.00 22.13 H new ATOM 0 HZ3 LYS A 27 0.515 -14.887 -9.898 1.00 22.13 H new ATOM 430 N LYS A 28 3.410 -8.938 -7.029 1.00 21.33 N ATOM 431 CA LYS A 28 3.822 -7.801 -6.216 1.00 1.35 C ATOM 432 C LYS A 28 2.613 -6.992 -5.758 1.00 0.42 C ATOM 433 O LYS A 28 1.538 -7.072 -6.354 1.00 72.35 O ATOM 434 CB LYS A 28 4.779 -6.904 -7.006 1.00 51.35 C ATOM 435 CG LYS A 28 6.142 -7.529 -7.244 1.00 62.24 C ATOM 436 CD LYS A 28 6.645 -7.253 -8.650 1.00 31.44 C ATOM 437 CE LYS A 28 7.158 -8.520 -9.318 1.00 11.40 C ATOM 438 NZ LYS A 28 8.141 -9.238 -8.462 1.00 72.33 N ATOM 0 H LYS A 28 2.973 -8.686 -7.915 1.00 21.33 H new ATOM 0 HA LYS A 28 4.336 -8.184 -5.334 1.00 1.35 H new ATOM 0 HB2 LYS A 28 4.327 -6.663 -7.968 1.00 51.35 H new ATOM 0 HB3 LYS A 28 4.908 -5.964 -6.470 1.00 51.35 H new ATOM 0 HG2 LYS A 28 6.855 -7.137 -6.518 1.00 62.24 H new ATOM 0 HG3 LYS A 28 6.083 -8.605 -7.083 1.00 62.24 H new ATOM 0 HD2 LYS A 28 5.840 -6.826 -9.248 1.00 31.44 H new ATOM 0 HD3 LYS A 28 7.443 -6.511 -8.613 1.00 31.44 H new ATOM 0 HE2 LYS A 28 6.319 -9.180 -9.539 1.00 11.40 H new ATOM 0 HE3 LYS A 28 7.623 -8.266 -10.270 1.00 11.40 H new ATOM 0 HZ1 LYS A 28 8.798 -9.775 -9.063 1.00 72.33 H new ATOM 0 HZ2 LYS A 28 8.675 -8.549 -7.894 1.00 72.33 H new ATOM 0 HZ3 LYS A 28 7.638 -9.892 -7.829 1.00 72.33 H new ATOM 452 N TYR A 29 2.795 -6.213 -4.698 1.00 54.04 N ATOM 453 CA TYR A 29 1.718 -5.391 -4.159 1.00 2.43 C ATOM 454 C TYR A 29 1.291 -4.326 -5.165 1.00 55.31 C ATOM 455 O TYR A 29 2.124 -3.739 -5.855 1.00 52.42 O ATOM 456 CB TYR A 29 2.159 -4.727 -2.853 1.00 71.11 C ATOM 457 CG TYR A 29 1.922 -5.583 -1.629 1.00 34.11 C ATOM 458 CD1 TYR A 29 0.634 -5.859 -1.189 1.00 4.41 C ATOM 459 CD2 TYR A 29 2.987 -6.115 -0.913 1.00 13.13 C ATOM 460 CE1 TYR A 29 0.412 -6.639 -0.071 1.00 73.25 C ATOM 461 CE2 TYR A 29 2.776 -6.898 0.205 1.00 65.23 C ATOM 462 CZ TYR A 29 1.486 -7.158 0.622 1.00 52.42 C ATOM 463 OH TYR A 29 1.271 -7.936 1.737 1.00 1.33 O ATOM 0 H TYR A 29 3.679 -6.133 -4.195 1.00 54.04 H new ATOM 0 HA TYR A 29 0.865 -6.040 -3.959 1.00 2.43 H new ATOM 0 HB2 TYR A 29 3.220 -4.486 -2.918 1.00 71.11 H new ATOM 0 HB3 TYR A 29 1.625 -3.784 -2.736 1.00 71.11 H new ATOM 0 HD1 TYR A 29 -0.209 -5.456 -1.731 1.00 4.41 H new ATOM 0 HD2 TYR A 29 3.997 -5.913 -1.236 1.00 13.13 H new ATOM 0 HE1 TYR A 29 -0.596 -6.841 0.259 1.00 73.25 H new ATOM 0 HE2 TYR A 29 3.615 -7.304 0.750 1.00 65.23 H new ATOM 0 HH TYR A 29 0.418 -8.410 1.645 1.00 1.33 H new ATOM 473 N ARG A 30 -0.013 -4.081 -5.240 1.00 31.43 N ATOM 474 CA ARG A 30 -0.553 -3.089 -6.162 1.00 40.45 C ATOM 475 C ARG A 30 -1.823 -2.458 -5.598 1.00 42.43 C ATOM 476 O ARG A 30 -2.377 -2.932 -4.605 1.00 73.51 O ATOM 477 CB ARG A 30 -0.848 -3.728 -7.519 1.00 53.31 C ATOM 478 CG ARG A 30 -0.251 -2.967 -8.692 1.00 35.20 C ATOM 479 CD ARG A 30 -1.218 -2.902 -9.864 1.00 44.54 C ATOM 480 NE ARG A 30 -0.521 -2.861 -11.147 1.00 43.12 N ATOM 481 CZ ARG A 30 -1.137 -2.959 -12.320 1.00 30.10 C ATOM 482 NH1 ARG A 30 -2.454 -3.103 -12.372 1.00 35.22 N ATOM 483 NH2 ARG A 30 -0.435 -2.912 -13.445 1.00 15.15 N ATOM 0 H ARG A 30 -0.715 -4.556 -4.673 1.00 31.43 H new ATOM 0 HA ARG A 30 0.195 -2.307 -6.292 1.00 40.45 H new ATOM 0 HB2 ARG A 30 -0.461 -4.747 -7.523 1.00 53.31 H new ATOM 0 HB3 ARG A 30 -1.928 -3.796 -7.652 1.00 53.31 H new ATOM 0 HG2 ARG A 30 0.009 -1.956 -8.377 1.00 35.20 H new ATOM 0 HG3 ARG A 30 0.673 -3.450 -9.008 1.00 35.20 H new ATOM 0 HD2 ARG A 30 -1.878 -3.769 -9.838 1.00 44.54 H new ATOM 0 HD3 ARG A 30 -1.848 -2.018 -9.765 1.00 44.54 H new ATOM 0 HE ARG A 30 0.493 -2.751 -11.142 1.00 43.12 H new ATOM 0 HH11 ARG A 30 -2.998 -3.139 -11.510 1.00 35.22 H new ATOM 0 HH12 ARG A 30 -2.924 -3.178 -13.274 1.00 35.22 H new ATOM 0 HH21 ARG A 30 0.578 -2.801 -13.410 1.00 15.15 H new ATOM 0 HH22 ARG A 30 -0.909 -2.987 -14.345 1.00 15.15 H new ATOM 497 N LEU A 31 -2.278 -1.386 -6.236 1.00 25.44 N ATOM 498 CA LEU A 31 -3.483 -0.690 -5.799 1.00 44.31 C ATOM 499 C LEU A 31 -4.620 -1.675 -5.544 1.00 4.12 C ATOM 500 O LEU A 31 -5.444 -1.473 -4.651 1.00 14.24 O ATOM 501 CB LEU A 31 -3.911 0.339 -6.847 1.00 34.31 C ATOM 502 CG LEU A 31 -3.547 1.794 -6.547 1.00 21.31 C ATOM 503 CD1 LEU A 31 -2.041 1.992 -6.619 1.00 51.54 C ATOM 504 CD2 LEU A 31 -4.256 2.732 -7.514 1.00 61.53 C ATOM 0 H LEU A 31 -1.831 -0.980 -7.058 1.00 25.44 H new ATOM 0 HA LEU A 31 -3.256 -0.176 -4.865 1.00 44.31 H new ATOM 0 HB2 LEU A 31 -3.464 0.063 -7.802 1.00 34.31 H new ATOM 0 HB3 LEU A 31 -4.992 0.274 -6.971 1.00 34.31 H new ATOM 0 HG LEU A 31 -3.877 2.030 -5.535 1.00 21.31 H new ATOM 0 HD11 LEU A 31 -1.800 3.033 -6.403 1.00 51.54 H new ATOM 0 HD12 LEU A 31 -1.554 1.347 -5.887 1.00 51.54 H new ATOM 0 HD13 LEU A 31 -1.688 1.738 -7.618 1.00 51.54 H new ATOM 0 HD21 LEU A 31 -3.985 3.763 -7.285 1.00 61.53 H new ATOM 0 HD22 LEU A 31 -3.957 2.496 -8.535 1.00 61.53 H new ATOM 0 HD23 LEU A 31 -5.335 2.610 -7.415 1.00 61.53 H new ATOM 516 N LYS A 32 -4.659 -2.743 -6.334 1.00 13.33 N ATOM 517 CA LYS A 32 -5.691 -3.763 -6.194 1.00 54.15 C ATOM 518 C LYS A 32 -5.787 -4.243 -4.748 1.00 2.12 C ATOM 519 O LYS A 32 -6.879 -4.341 -4.188 1.00 63.13 O ATOM 520 CB LYS A 32 -5.397 -4.946 -7.117 1.00 22.41 C ATOM 521 CG LYS A 32 -6.427 -5.128 -8.219 1.00 15.43 C ATOM 522 CD LYS A 32 -7.377 -6.273 -7.912 1.00 11.34 C ATOM 523 CE LYS A 32 -8.675 -5.770 -7.298 1.00 54.25 C ATOM 524 NZ LYS A 32 -9.760 -5.654 -8.310 1.00 12.41 N ATOM 0 H LYS A 32 -3.986 -2.924 -7.079 1.00 13.33 H new ATOM 0 HA LYS A 32 -6.646 -3.320 -6.476 1.00 54.15 H new ATOM 0 HB2 LYS A 32 -4.415 -4.808 -7.569 1.00 22.41 H new ATOM 0 HB3 LYS A 32 -5.349 -5.858 -6.521 1.00 22.41 H new ATOM 0 HG2 LYS A 32 -6.995 -4.206 -8.343 1.00 15.43 H new ATOM 0 HG3 LYS A 32 -5.919 -5.319 -9.165 1.00 15.43 H new ATOM 0 HD2 LYS A 32 -7.595 -6.822 -8.828 1.00 11.34 H new ATOM 0 HD3 LYS A 32 -6.897 -6.973 -7.228 1.00 11.34 H new ATOM 0 HE2 LYS A 32 -8.989 -6.450 -6.506 1.00 54.25 H new ATOM 0 HE3 LYS A 32 -8.505 -4.798 -6.835 1.00 54.25 H new ATOM 0 HZ1 LYS A 32 -10.627 -5.308 -7.851 1.00 12.41 H new ATOM 0 HZ2 LYS A 32 -9.472 -4.986 -9.053 1.00 12.41 H new ATOM 0 HZ3 LYS A 32 -9.941 -6.586 -8.734 1.00 12.41 H new ATOM 538 N HIS A 33 -4.638 -4.542 -4.151 1.00 43.30 N ATOM 539 CA HIS A 33 -4.593 -5.010 -2.770 1.00 61.41 C ATOM 540 C HIS A 33 -4.977 -3.892 -1.805 1.00 41.22 C ATOM 541 O HIS A 33 -5.527 -4.218 -0.752 1.00 61.10 O ATOM 542 CB HIS A 33 -3.196 -5.533 -2.432 1.00 40.04 C ATOM 543 CG HIS A 33 -2.685 -6.549 -3.406 1.00 21.24 C ATOM 544 ND1 HIS A 33 -1.620 -6.313 -4.251 1.00 61.35 N ATOM 545 CD2 HIS A 33 -3.098 -7.810 -3.668 1.00 23.43 C ATOM 546 CE1 HIS A 33 -1.402 -7.386 -4.989 1.00 75.11 C ATOM 547 NE2 HIS A 33 -2.285 -8.310 -4.655 1.00 4.32 N ATOM 0 H HIS A 33 -3.726 -4.469 -4.601 1.00 43.30 H new ATOM 0 HA HIS A 33 -5.313 -5.822 -2.664 1.00 61.41 H new ATOM 0 HB2 HIS A 33 -2.501 -4.694 -2.397 1.00 40.04 H new ATOM 0 HB3 HIS A 33 -3.213 -5.974 -1.435 1.00 40.04 H new ATOM 0 HD2 HIS A 33 -3.916 -8.328 -3.189 1.00 23.43 H new ATOM 0 HE1 HIS A 33 -0.632 -7.491 -5.739 1.00 75.11 H new ATOM 0 HE2 HIS A 33 -2.352 -9.242 -5.063 1.00 4.32 H new ATOM 555 N ILE A 34 -4.713 -2.629 -2.123 1.00 23.02 N ATOM 556 CA ILE A 34 -5.063 -1.529 -1.233 1.00 1.41 C ATOM 557 C ILE A 34 -6.574 -1.338 -1.162 1.00 64.50 C ATOM 558 O ILE A 34 -7.123 -1.035 -0.102 1.00 21.14 O ATOM 559 CB ILE A 34 -4.412 -0.209 -1.688 1.00 54.44 C ATOM 560 CG1 ILE A 34 -2.947 -0.442 -2.066 1.00 43.13 C ATOM 561 CG2 ILE A 34 -4.521 0.840 -0.591 1.00 73.12 C ATOM 562 CD1 ILE A 34 -2.220 0.822 -2.469 1.00 74.32 C ATOM 0 H ILE A 34 -4.258 -2.342 -2.990 1.00 23.02 H new ATOM 0 HA ILE A 34 -4.685 -1.791 -0.245 1.00 1.41 H new ATOM 0 HB ILE A 34 -4.941 0.157 -2.568 1.00 54.44 H new ATOM 0 HG12 ILE A 34 -2.430 -0.896 -1.221 1.00 43.13 H new ATOM 0 HG13 ILE A 34 -2.901 -1.156 -2.888 1.00 43.13 H new ATOM 0 HG21 ILE A 34 -4.057 1.767 -0.927 1.00 73.12 H new ATOM 0 HG22 ILE A 34 -5.572 1.022 -0.364 1.00 73.12 H new ATOM 0 HG23 ILE A 34 -4.013 0.484 0.305 1.00 73.12 H new ATOM 0 HD11 ILE A 34 -1.188 0.582 -2.724 1.00 74.32 H new ATOM 0 HD12 ILE A 34 -2.713 1.266 -3.334 1.00 74.32 H new ATOM 0 HD13 ILE A 34 -2.234 1.530 -1.640 1.00 74.32 H new ATOM 574 N VAL A 35 -7.242 -1.520 -2.297 1.00 70.22 N ATOM 575 CA VAL A 35 -8.691 -1.372 -2.363 1.00 14.41 C ATOM 576 C VAL A 35 -9.392 -2.447 -1.541 1.00 33.41 C ATOM 577 O VAL A 35 -10.228 -2.146 -0.690 1.00 45.04 O ATOM 578 CB VAL A 35 -9.197 -1.442 -3.816 1.00 11.41 C ATOM 579 CG1 VAL A 35 -10.715 -1.364 -3.858 1.00 11.43 C ATOM 580 CG2 VAL A 35 -8.575 -0.331 -4.650 1.00 54.14 C ATOM 0 H VAL A 35 -6.803 -1.770 -3.183 1.00 70.22 H new ATOM 0 HA VAL A 35 -8.927 -0.391 -1.950 1.00 14.41 H new ATOM 0 HB VAL A 35 -8.895 -2.399 -4.242 1.00 11.41 H new ATOM 0 HG11 VAL A 35 -11.053 -1.415 -4.893 1.00 11.43 H new ATOM 0 HG12 VAL A 35 -11.138 -2.197 -3.296 1.00 11.43 H new ATOM 0 HG13 VAL A 35 -11.043 -0.424 -3.415 1.00 11.43 H new ATOM 0 HG21 VAL A 35 -8.943 -0.395 -5.674 1.00 54.14 H new ATOM 0 HG22 VAL A 35 -8.845 0.636 -4.227 1.00 54.14 H new ATOM 0 HG23 VAL A 35 -7.490 -0.438 -4.647 1.00 54.14 H new ATOM 590 N TRP A 36 -9.045 -3.703 -1.801 1.00 54.42 N ATOM 591 CA TRP A 36 -9.641 -4.824 -1.085 1.00 73.24 C ATOM 592 C TRP A 36 -9.450 -4.672 0.420 1.00 73.14 C ATOM 593 O TRP A 36 -10.243 -5.182 1.210 1.00 44.35 O ATOM 594 CB TRP A 36 -9.026 -6.144 -1.558 1.00 4.41 C ATOM 595 CG TRP A 36 -9.482 -7.329 -0.763 1.00 24.21 C ATOM 596 CD1 TRP A 36 -10.477 -8.204 -1.095 1.00 72.54 C ATOM 597 CD2 TRP A 36 -8.961 -7.770 0.495 1.00 52.43 C ATOM 598 NE1 TRP A 36 -10.605 -9.162 -0.118 1.00 43.33 N ATOM 599 CE2 TRP A 36 -9.686 -8.918 0.868 1.00 30.11 C ATOM 600 CE3 TRP A 36 -7.950 -7.307 1.342 1.00 75.41 C ATOM 601 CZ2 TRP A 36 -9.433 -9.606 2.051 1.00 73.14 C ATOM 602 CZ3 TRP A 36 -7.700 -7.992 2.516 1.00 50.13 C ATOM 603 CH2 TRP A 36 -8.437 -9.131 2.862 1.00 64.34 C ATOM 0 H TRP A 36 -8.354 -3.970 -2.502 1.00 54.42 H new ATOM 0 HA TRP A 36 -10.710 -4.832 -1.299 1.00 73.24 H new ATOM 0 HB2 TRP A 36 -9.279 -6.300 -2.607 1.00 4.41 H new ATOM 0 HB3 TRP A 36 -7.940 -6.072 -1.500 1.00 4.41 H new ATOM 0 HD1 TRP A 36 -11.075 -8.151 -1.993 1.00 72.54 H new ATOM 0 HE1 TRP A 36 -11.276 -9.930 -0.126 1.00 43.33 H new ATOM 0 HE3 TRP A 36 -7.375 -6.430 1.084 1.00 75.41 H new ATOM 0 HZ2 TRP A 36 -10.002 -10.484 2.320 1.00 73.14 H new ATOM 0 HZ3 TRP A 36 -6.922 -7.642 3.179 1.00 50.13 H new ATOM 0 HH2 TRP A 36 -8.216 -9.645 3.786 1.00 64.34 H new ATOM 614 N ALA A 37 -8.392 -3.968 0.811 1.00 30.32 N ATOM 615 CA ALA A 37 -8.099 -3.747 2.221 1.00 64.34 C ATOM 616 C ALA A 37 -8.936 -2.602 2.783 1.00 12.01 C ATOM 617 O ALA A 37 -9.550 -2.731 3.841 1.00 15.43 O ATOM 618 CB ALA A 37 -6.617 -3.464 2.414 1.00 33.20 C ATOM 0 H ALA A 37 -7.724 -3.541 0.170 1.00 30.32 H new ATOM 0 HA ALA A 37 -8.359 -4.654 2.767 1.00 64.34 H new ATOM 0 HB1 ALA A 37 -6.413 -3.301 3.472 1.00 33.20 H new ATOM 0 HB2 ALA A 37 -6.035 -4.314 2.059 1.00 33.20 H new ATOM 0 HB3 ALA A 37 -6.340 -2.574 1.849 1.00 33.20 H new ATOM 624 N ALA A 38 -8.953 -1.482 2.067 1.00 44.13 N ATOM 625 CA ALA A 38 -9.715 -0.316 2.494 1.00 43.43 C ATOM 626 C ALA A 38 -11.176 -0.674 2.742 1.00 20.15 C ATOM 627 O ALA A 38 -11.803 -0.159 3.666 1.00 3.42 O ATOM 628 CB ALA A 38 -9.610 0.792 1.456 1.00 42.44 C ATOM 0 H ALA A 38 -8.448 -1.358 1.189 1.00 44.13 H new ATOM 0 HA ALA A 38 -9.291 0.039 3.433 1.00 43.43 H new ATOM 0 HB1 ALA A 38 -10.184 1.657 1.788 1.00 42.44 H new ATOM 0 HB2 ALA A 38 -8.565 1.076 1.331 1.00 42.44 H new ATOM 0 HB3 ALA A 38 -10.006 0.438 0.504 1.00 42.44 H new ATOM 634 N ASN A 39 -11.712 -1.560 1.910 1.00 25.43 N ATOM 635 CA ASN A 39 -13.101 -1.987 2.038 1.00 54.11 C ATOM 636 C ASN A 39 -13.365 -2.571 3.423 1.00 24.23 C ATOM 637 O ASN A 39 -14.466 -2.449 3.960 1.00 0.21 O ATOM 638 CB ASN A 39 -13.439 -3.022 0.963 1.00 64.23 C ATOM 639 CG ASN A 39 -14.079 -2.396 -0.262 1.00 72.34 C ATOM 640 OD1 ASN A 39 -13.609 -2.580 -1.383 1.00 13.34 O ATOM 641 ND2 ASN A 39 -15.158 -1.652 -0.050 1.00 64.12 N ATOM 0 H ASN A 39 -11.206 -1.997 1.140 1.00 25.43 H new ATOM 0 HA ASN A 39 -13.738 -1.113 1.904 1.00 54.11 H new ATOM 0 HB2 ASN A 39 -12.529 -3.545 0.667 1.00 64.23 H new ATOM 0 HB3 ASN A 39 -14.114 -3.769 1.381 1.00 64.23 H new ATOM 0 HD21 ASN A 39 -15.632 -1.206 -0.835 1.00 64.12 H new ATOM 0 HD22 ASN A 39 -15.513 -1.527 0.898 1.00 64.12 H new ATOM 648 N LYS A 40 -12.347 -3.205 3.995 1.00 42.21 N ATOM 649 CA LYS A 40 -12.467 -3.806 5.319 1.00 21.34 C ATOM 650 C LYS A 40 -12.492 -2.733 6.403 1.00 32.53 C ATOM 651 O LYS A 40 -13.310 -2.785 7.322 1.00 12.11 O ATOM 652 CB LYS A 40 -11.308 -4.773 5.569 1.00 14.24 C ATOM 653 CG LYS A 40 -11.338 -6.003 4.678 1.00 4.42 C ATOM 654 CD LYS A 40 -12.276 -7.065 5.227 1.00 52.21 C ATOM 655 CE LYS A 40 -11.578 -7.950 6.248 1.00 41.21 C ATOM 656 NZ LYS A 40 -12.006 -7.635 7.639 1.00 73.44 N ATOM 0 H LYS A 40 -11.430 -3.316 3.563 1.00 42.21 H new ATOM 0 HA LYS A 40 -13.406 -4.357 5.357 1.00 21.34 H new ATOM 0 HB2 LYS A 40 -10.367 -4.246 5.415 1.00 14.24 H new ATOM 0 HB3 LYS A 40 -11.329 -5.090 6.612 1.00 14.24 H new ATOM 0 HG2 LYS A 40 -11.655 -5.719 3.675 1.00 4.42 H new ATOM 0 HG3 LYS A 40 -10.332 -6.414 4.590 1.00 4.42 H new ATOM 0 HD2 LYS A 40 -13.139 -6.586 5.689 1.00 52.21 H new ATOM 0 HD3 LYS A 40 -12.652 -7.679 4.408 1.00 52.21 H new ATOM 0 HE2 LYS A 40 -11.793 -8.996 6.030 1.00 41.21 H new ATOM 0 HE3 LYS A 40 -10.499 -7.822 6.162 1.00 41.21 H new ATOM 0 HZ1 LYS A 40 -11.201 -7.756 8.286 1.00 73.44 H new ATOM 0 HZ2 LYS A 40 -12.342 -6.652 7.685 1.00 73.44 H new ATOM 0 HZ3 LYS A 40 -12.775 -8.277 7.919 1.00 73.44 H new ATOM 670 N LEU A 41 -11.591 -1.763 6.289 1.00 62.54 N ATOM 671 CA LEU A 41 -11.511 -0.677 7.260 1.00 61.13 C ATOM 672 C LEU A 41 -12.873 -0.021 7.456 1.00 3.30 C ATOM 673 O LEU A 41 -13.161 0.531 8.519 1.00 0.11 O ATOM 674 CB LEU A 41 -10.490 0.366 6.804 1.00 21.12 C ATOM 675 CG LEU A 41 -9.019 -0.031 6.937 1.00 53.10 C ATOM 676 CD1 LEU A 41 -8.167 0.736 5.938 1.00 50.11 C ATOM 677 CD2 LEU A 41 -8.528 0.209 8.356 1.00 53.32 C ATOM 0 H LEU A 41 -10.906 -1.706 5.535 1.00 62.54 H new ATOM 0 HA LEU A 41 -11.191 -1.097 8.213 1.00 61.13 H new ATOM 0 HB2 LEU A 41 -10.688 0.606 5.759 1.00 21.12 H new ATOM 0 HB3 LEU A 41 -10.652 1.279 7.377 1.00 21.12 H new ATOM 0 HG LEU A 41 -8.928 -1.095 6.719 1.00 53.10 H new ATOM 0 HD11 LEU A 41 -7.124 0.441 6.047 1.00 50.11 H new ATOM 0 HD12 LEU A 41 -8.503 0.512 4.926 1.00 50.11 H new ATOM 0 HD13 LEU A 41 -8.263 1.806 6.124 1.00 50.11 H new ATOM 0 HD21 LEU A 41 -7.480 -0.079 8.432 1.00 53.32 H new ATOM 0 HD22 LEU A 41 -8.633 1.265 8.604 1.00 53.32 H new ATOM 0 HD23 LEU A 41 -9.119 -0.387 9.051 1.00 53.32 H new ATOM 689 N ASP A 42 -13.709 -0.085 6.425 1.00 41.53 N ATOM 690 CA ASP A 42 -15.043 0.501 6.485 1.00 41.23 C ATOM 691 C ASP A 42 -15.972 -0.349 7.347 1.00 4.12 C ATOM 692 O ASP A 42 -16.648 0.162 8.239 1.00 55.14 O ATOM 693 CB ASP A 42 -15.623 0.647 5.078 1.00 61.13 C ATOM 694 CG ASP A 42 -16.124 2.050 4.801 1.00 25.15 C ATOM 695 OD1 ASP A 42 -16.703 2.666 5.719 1.00 52.45 O ATOM 696 OD2 ASP A 42 -15.938 2.532 3.663 1.00 61.32 O ATOM 0 H ASP A 42 -13.486 -0.537 5.538 1.00 41.53 H new ATOM 0 HA ASP A 42 -14.959 1.489 6.939 1.00 41.23 H new ATOM 0 HB2 ASP A 42 -14.860 0.385 4.345 1.00 61.13 H new ATOM 0 HB3 ASP A 42 -16.443 -0.060 4.951 1.00 61.13 H new ATOM 701 N ARG A 43 -16.001 -1.648 7.072 1.00 71.41 N ATOM 702 CA ARG A 43 -16.848 -2.569 7.820 1.00 31.33 C ATOM 703 C ARG A 43 -16.632 -2.409 9.322 1.00 4.13 C ATOM 704 O ARG A 43 -17.510 -2.730 10.124 1.00 31.45 O ATOM 705 CB ARG A 43 -16.561 -4.014 7.403 1.00 51.35 C ATOM 706 CG ARG A 43 -17.810 -4.868 7.265 1.00 23.14 C ATOM 707 CD ARG A 43 -17.463 -6.338 7.090 1.00 51.21 C ATOM 708 NE ARG A 43 -18.047 -7.166 8.141 1.00 74.24 N ATOM 709 CZ ARG A 43 -19.337 -7.472 8.205 1.00 52.32 C ATOM 710 NH1 ARG A 43 -20.175 -7.019 7.283 1.00 23.31 N ATOM 711 NH2 ARG A 43 -19.792 -8.232 9.193 1.00 45.31 N ATOM 0 H ARG A 43 -15.448 -2.087 6.336 1.00 71.41 H new ATOM 0 HA ARG A 43 -17.887 -2.332 7.593 1.00 31.33 H new ATOM 0 HB2 ARG A 43 -16.027 -4.010 6.453 1.00 51.35 H new ATOM 0 HB3 ARG A 43 -15.899 -4.471 8.138 1.00 51.35 H new ATOM 0 HG2 ARG A 43 -18.437 -4.744 8.148 1.00 23.14 H new ATOM 0 HG3 ARG A 43 -18.393 -4.526 6.410 1.00 23.14 H new ATOM 0 HD2 ARG A 43 -17.818 -6.681 6.118 1.00 51.21 H new ATOM 0 HD3 ARG A 43 -16.380 -6.458 7.094 1.00 51.21 H new ATOM 0 HE ARG A 43 -17.429 -7.530 8.867 1.00 74.24 H new ATOM 0 HH11 ARG A 43 -19.829 -6.434 6.522 1.00 23.31 H new ATOM 0 HH12 ARG A 43 -21.166 -7.255 7.334 1.00 23.31 H new ATOM 0 HH21 ARG A 43 -19.150 -8.582 9.904 1.00 45.31 H new ATOM 0 HH22 ARG A 43 -20.784 -8.466 9.241 1.00 45.31 H new ATOM 725 N PHE A 44 -15.459 -1.910 9.695 1.00 75.44 N ATOM 726 CA PHE A 44 -15.127 -1.709 11.101 1.00 40.40 C ATOM 727 C PHE A 44 -15.316 -0.248 11.500 1.00 51.44 C ATOM 728 O PHE A 44 -15.850 0.051 12.568 1.00 24.04 O ATOM 729 CB PHE A 44 -13.684 -2.140 11.373 1.00 62.43 C ATOM 730 CG PHE A 44 -13.441 -3.603 11.133 1.00 22.42 C ATOM 731 CD1 PHE A 44 -14.220 -4.561 11.761 1.00 72.13 C ATOM 732 CD2 PHE A 44 -12.434 -4.019 10.277 1.00 73.21 C ATOM 733 CE1 PHE A 44 -13.997 -5.907 11.542 1.00 61.00 C ATOM 734 CE2 PHE A 44 -12.208 -5.365 10.052 1.00 52.15 C ATOM 735 CZ PHE A 44 -12.991 -6.310 10.686 1.00 52.42 C ATOM 0 H PHE A 44 -14.722 -1.637 9.044 1.00 75.44 H new ATOM 0 HA PHE A 44 -15.801 -2.322 11.699 1.00 40.40 H new ATOM 0 HB2 PHE A 44 -13.014 -1.560 10.739 1.00 62.43 H new ATOM 0 HB3 PHE A 44 -13.431 -1.902 12.406 1.00 62.43 H new ATOM 0 HD1 PHE A 44 -15.010 -4.252 12.429 1.00 72.13 H new ATOM 0 HD2 PHE A 44 -11.818 -3.284 9.780 1.00 73.21 H new ATOM 0 HE1 PHE A 44 -14.609 -6.644 12.040 1.00 61.00 H new ATOM 0 HE2 PHE A 44 -11.421 -5.677 9.382 1.00 52.15 H new ATOM 0 HZ PHE A 44 -12.817 -7.362 10.513 1.00 52.42 H new ATOM 745 N GLY A 45 -14.872 0.659 10.634 1.00 71.12 N ATOM 746 CA GLY A 45 -15.000 2.077 10.914 1.00 63.32 C ATOM 747 C GLY A 45 -13.732 2.846 10.604 1.00 1.24 C ATOM 748 O GLY A 45 -13.782 3.942 10.044 1.00 61.15 O ATOM 0 H GLY A 45 -14.426 0.437 9.744 1.00 71.12 H new ATOM 0 HA2 GLY A 45 -15.822 2.487 10.328 1.00 63.32 H new ATOM 0 HA3 GLY A 45 -15.257 2.215 11.964 1.00 63.32 H new ATOM 752 N LEU A 46 -12.591 2.273 10.970 1.00 13.42 N ATOM 753 CA LEU A 46 -11.302 2.913 10.728 1.00 74.21 C ATOM 754 C LEU A 46 -11.255 3.536 9.337 1.00 13.43 C ATOM 755 O LEU A 46 -11.797 2.984 8.381 1.00 4.31 O ATOM 756 CB LEU A 46 -10.169 1.896 10.883 1.00 42.45 C ATOM 757 CG LEU A 46 -9.476 1.866 12.246 1.00 64.04 C ATOM 758 CD1 LEU A 46 -9.701 0.527 12.930 1.00 23.14 C ATOM 759 CD2 LEU A 46 -7.988 2.145 12.095 1.00 11.14 C ATOM 0 H LEU A 46 -12.532 1.367 11.435 1.00 13.42 H new ATOM 0 HA LEU A 46 -11.174 3.706 11.465 1.00 74.21 H new ATOM 0 HB2 LEU A 46 -10.569 0.903 10.679 1.00 42.45 H new ATOM 0 HB3 LEU A 46 -9.418 2.100 10.120 1.00 42.45 H new ATOM 0 HG LEU A 46 -9.911 2.647 12.869 1.00 64.04 H new ATOM 0 HD11 LEU A 46 -9.201 0.524 13.898 1.00 23.14 H new ATOM 0 HD12 LEU A 46 -10.770 0.367 13.073 1.00 23.14 H new ATOM 0 HD13 LEU A 46 -9.294 -0.271 12.309 1.00 23.14 H new ATOM 0 HD21 LEU A 46 -7.512 2.120 13.075 1.00 11.14 H new ATOM 0 HD22 LEU A 46 -7.539 1.387 11.454 1.00 11.14 H new ATOM 0 HD23 LEU A 46 -7.846 3.129 11.648 1.00 11.14 H new ATOM 771 N ALA A 47 -10.601 4.688 9.232 1.00 73.20 N ATOM 772 CA ALA A 47 -10.479 5.383 7.957 1.00 14.51 C ATOM 773 C ALA A 47 -9.519 4.655 7.023 1.00 22.41 C ATOM 774 O ALA A 47 -8.566 4.020 7.472 1.00 31.25 O ATOM 775 CB ALA A 47 -10.015 6.815 8.180 1.00 4.35 C ATOM 0 H ALA A 47 -10.148 5.159 10.015 1.00 73.20 H new ATOM 0 HA ALA A 47 -11.461 5.399 7.485 1.00 14.51 H new ATOM 0 HB1 ALA A 47 -9.928 7.323 7.220 1.00 4.35 H new ATOM 0 HB2 ALA A 47 -10.739 7.339 8.803 1.00 4.35 H new ATOM 0 HB3 ALA A 47 -9.045 6.810 8.677 1.00 4.35 H new ATOM 781 N GLU A 48 -9.781 4.749 5.723 1.00 13.11 N ATOM 782 CA GLU A 48 -8.940 4.096 4.726 1.00 60.22 C ATOM 783 C GLU A 48 -7.719 4.950 4.400 1.00 74.10 C ATOM 784 O GLU A 48 -6.705 4.445 3.917 1.00 31.31 O ATOM 785 CB GLU A 48 -9.741 3.823 3.451 1.00 50.13 C ATOM 786 CG GLU A 48 -10.388 5.066 2.861 1.00 73.12 C ATOM 787 CD GLU A 48 -11.102 4.787 1.554 1.00 32.22 C ATOM 788 OE1 GLU A 48 -12.199 4.191 1.592 1.00 61.31 O ATOM 789 OE2 GLU A 48 -10.563 5.163 0.491 1.00 23.12 O ATOM 0 H GLU A 48 -10.568 5.270 5.336 1.00 13.11 H new ATOM 0 HA GLU A 48 -8.598 3.148 5.141 1.00 60.22 H new ATOM 0 HB2 GLU A 48 -9.081 3.378 2.706 1.00 50.13 H new ATOM 0 HB3 GLU A 48 -10.516 3.089 3.669 1.00 50.13 H new ATOM 0 HG2 GLU A 48 -11.099 5.477 3.578 1.00 73.12 H new ATOM 0 HG3 GLU A 48 -9.624 5.826 2.698 1.00 73.12 H new ATOM 796 N SER A 49 -7.823 6.247 4.669 1.00 11.21 N ATOM 797 CA SER A 49 -6.729 7.174 4.400 1.00 34.20 C ATOM 798 C SER A 49 -5.561 6.925 5.351 1.00 10.04 C ATOM 799 O SER A 49 -4.473 7.473 5.172 1.00 15.04 O ATOM 800 CB SER A 49 -7.211 8.620 4.535 1.00 24.45 C ATOM 801 OG SER A 49 -8.326 8.865 3.694 1.00 31.14 O ATOM 0 H SER A 49 -8.653 6.680 5.073 1.00 11.21 H new ATOM 0 HA SER A 49 -6.387 7.007 3.379 1.00 34.20 H new ATOM 0 HB2 SER A 49 -7.482 8.822 5.571 1.00 24.45 H new ATOM 0 HB3 SER A 49 -6.401 9.303 4.279 1.00 24.45 H new ATOM 0 HG SER A 49 -8.617 9.795 3.799 1.00 31.14 H new ATOM 807 N LEU A 50 -5.795 6.096 6.361 1.00 43.45 N ATOM 808 CA LEU A 50 -4.764 5.774 7.341 1.00 63.34 C ATOM 809 C LEU A 50 -3.778 4.757 6.779 1.00 71.41 C ATOM 810 O LEU A 50 -2.817 4.370 7.448 1.00 24.13 O ATOM 811 CB LEU A 50 -5.402 5.230 8.622 1.00 32.25 C ATOM 812 CG LEU A 50 -6.383 6.164 9.332 1.00 73.42 C ATOM 813 CD1 LEU A 50 -7.113 5.424 10.443 1.00 13.03 C ATOM 814 CD2 LEU A 50 -5.654 7.379 9.887 1.00 24.34 C ATOM 0 H LEU A 50 -6.690 5.634 6.523 1.00 43.45 H new ATOM 0 HA LEU A 50 -4.220 6.689 7.574 1.00 63.34 H new ATOM 0 HB2 LEU A 50 -5.924 4.304 8.379 1.00 32.25 H new ATOM 0 HB3 LEU A 50 -4.605 4.974 9.320 1.00 32.25 H new ATOM 0 HG LEU A 50 -7.120 6.508 8.606 1.00 73.42 H new ATOM 0 HD11 LEU A 50 -7.807 6.103 10.938 1.00 13.03 H new ATOM 0 HD12 LEU A 50 -7.666 4.585 10.019 1.00 13.03 H new ATOM 0 HD13 LEU A 50 -6.390 5.052 11.169 1.00 13.03 H new ATOM 0 HD21 LEU A 50 -6.367 8.033 10.389 1.00 24.34 H new ATOM 0 HD22 LEU A 50 -4.896 7.054 10.599 1.00 24.34 H new ATOM 0 HD23 LEU A 50 -5.177 7.921 9.071 1.00 24.34 H new ATOM 826 N LEU A 51 -4.018 4.326 5.545 1.00 11.11 N ATOM 827 CA LEU A 51 -3.150 3.355 4.891 1.00 35.42 C ATOM 828 C LEU A 51 -1.886 4.025 4.360 1.00 21.02 C ATOM 829 O LEU A 51 -1.044 3.378 3.738 1.00 33.03 O ATOM 830 CB LEU A 51 -3.893 2.665 3.746 1.00 45.00 C ATOM 831 CG LEU A 51 -4.554 1.328 4.084 1.00 43.04 C ATOM 832 CD1 LEU A 51 -5.710 1.049 3.137 1.00 23.12 C ATOM 833 CD2 LEU A 51 -3.535 0.200 4.031 1.00 41.22 C ATOM 0 H LEU A 51 -4.807 4.635 4.978 1.00 11.11 H new ATOM 0 HA LEU A 51 -2.861 2.608 5.631 1.00 35.42 H new ATOM 0 HB2 LEU A 51 -4.661 3.344 3.377 1.00 45.00 H new ATOM 0 HB3 LEU A 51 -3.190 2.504 2.929 1.00 45.00 H new ATOM 0 HG LEU A 51 -4.948 1.387 5.098 1.00 43.04 H new ATOM 0 HD11 LEU A 51 -6.168 0.094 3.393 1.00 23.12 H new ATOM 0 HD12 LEU A 51 -6.452 1.842 3.225 1.00 23.12 H new ATOM 0 HD13 LEU A 51 -5.340 1.011 2.112 1.00 23.12 H new ATOM 0 HD21 LEU A 51 -4.024 -0.743 4.274 1.00 41.22 H new ATOM 0 HD22 LEU A 51 -3.110 0.141 3.029 1.00 41.22 H new ATOM 0 HD23 LEU A 51 -2.740 0.393 4.752 1.00 41.22 H new ATOM 845 N GLU A 52 -1.761 5.323 4.611 1.00 54.33 N ATOM 846 CA GLU A 52 -0.598 6.080 4.160 1.00 44.54 C ATOM 847 C GLU A 52 0.081 6.784 5.331 1.00 42.43 C ATOM 848 O GLU A 52 0.701 7.835 5.163 1.00 75.31 O ATOM 849 CB GLU A 52 -1.010 7.107 3.103 1.00 44.12 C ATOM 850 CG GLU A 52 -2.136 8.023 3.551 1.00 10.44 C ATOM 851 CD GLU A 52 -2.112 9.365 2.845 1.00 2.23 C ATOM 852 OE1 GLU A 52 -1.005 9.866 2.557 1.00 31.45 O ATOM 853 OE2 GLU A 52 -3.202 9.914 2.580 1.00 12.31 O ATOM 0 H GLU A 52 -2.450 5.873 5.124 1.00 54.33 H new ATOM 0 HA GLU A 52 0.111 5.379 3.719 1.00 44.54 H new ATOM 0 HB2 GLU A 52 -0.143 7.713 2.840 1.00 44.12 H new ATOM 0 HB3 GLU A 52 -1.318 6.582 2.199 1.00 44.12 H new ATOM 0 HG2 GLU A 52 -3.093 7.535 3.364 1.00 10.44 H new ATOM 0 HG3 GLU A 52 -2.064 8.181 4.627 1.00 10.44 H new ATOM 860 N SER A 53 -0.041 6.198 6.518 1.00 31.10 N ATOM 861 CA SER A 53 0.557 6.770 7.718 1.00 14.34 C ATOM 862 C SER A 53 0.832 5.687 8.757 1.00 42.15 C ATOM 863 O SER A 53 0.022 4.783 8.958 1.00 0.00 O ATOM 864 CB SER A 53 -0.361 7.841 8.311 1.00 15.30 C ATOM 865 OG SER A 53 -1.033 7.357 9.460 1.00 63.33 O ATOM 0 H SER A 53 -0.549 5.327 6.674 1.00 31.10 H new ATOM 0 HA SER A 53 1.505 7.229 7.438 1.00 14.34 H new ATOM 0 HB2 SER A 53 0.225 8.722 8.573 1.00 15.30 H new ATOM 0 HB3 SER A 53 -1.091 8.153 7.564 1.00 15.30 H new ATOM 0 HG SER A 53 -1.612 8.060 9.821 1.00 63.33 H new ATOM 871 N LYS A 54 1.982 5.787 9.416 1.00 44.02 N ATOM 872 CA LYS A 54 2.365 4.818 10.437 1.00 1.00 C ATOM 873 C LYS A 54 1.387 4.843 11.606 1.00 42.35 C ATOM 874 O LYS A 54 0.814 3.817 11.970 1.00 5.24 O ATOM 875 CB LYS A 54 3.782 5.108 10.937 1.00 42.14 C ATOM 876 CG LYS A 54 4.190 4.265 12.133 1.00 62.33 C ATOM 877 CD LYS A 54 5.700 4.124 12.228 1.00 44.04 C ATOM 878 CE LYS A 54 6.300 5.172 13.152 1.00 5.51 C ATOM 879 NZ LYS A 54 6.540 4.635 14.519 1.00 34.51 N ATOM 0 H LYS A 54 2.665 6.529 9.261 1.00 44.02 H new ATOM 0 HA LYS A 54 2.340 3.825 9.988 1.00 1.00 H new ATOM 0 HB2 LYS A 54 4.487 4.936 10.124 1.00 42.14 H new ATOM 0 HB3 LYS A 54 3.855 6.162 11.204 1.00 42.14 H new ATOM 0 HG2 LYS A 54 3.808 4.720 13.047 1.00 62.33 H new ATOM 0 HG3 LYS A 54 3.736 3.277 12.055 1.00 62.33 H new ATOM 0 HD2 LYS A 54 5.951 3.128 12.594 1.00 44.04 H new ATOM 0 HD3 LYS A 54 6.139 4.219 11.235 1.00 44.04 H new ATOM 0 HE2 LYS A 54 7.240 5.530 12.733 1.00 5.51 H new ATOM 0 HE3 LYS A 54 5.630 6.030 13.211 1.00 5.51 H new ATOM 0 HZ1 LYS A 54 6.949 5.380 15.118 1.00 34.51 H new ATOM 0 HZ2 LYS A 54 5.639 4.316 14.930 1.00 34.51 H new ATOM 0 HZ3 LYS A 54 7.199 3.832 14.466 1.00 34.51 H new ATOM 893 N GLU A 55 1.199 6.023 12.190 1.00 74.15 N ATOM 894 CA GLU A 55 0.289 6.181 13.318 1.00 62.34 C ATOM 895 C GLU A 55 -1.076 5.574 13.005 1.00 62.11 C ATOM 896 O GLU A 55 -1.694 4.935 13.854 1.00 61.24 O ATOM 897 CB GLU A 55 0.133 7.660 13.674 1.00 41.31 C ATOM 898 CG GLU A 55 1.335 8.243 14.397 1.00 50.44 C ATOM 899 CD GLU A 55 1.424 7.787 15.841 1.00 44.41 C ATOM 900 OE1 GLU A 55 0.365 7.654 16.488 1.00 62.22 O ATOM 901 OE2 GLU A 55 2.554 7.563 16.323 1.00 14.21 O ATOM 0 H GLU A 55 1.665 6.883 11.900 1.00 74.15 H new ATOM 0 HA GLU A 55 0.715 5.653 14.172 1.00 62.34 H new ATOM 0 HB2 GLU A 55 -0.041 8.228 12.760 1.00 41.31 H new ATOM 0 HB3 GLU A 55 -0.751 7.783 14.299 1.00 41.31 H new ATOM 0 HG2 GLU A 55 2.245 7.954 13.872 1.00 50.44 H new ATOM 0 HG3 GLU A 55 1.280 9.331 14.366 1.00 50.44 H new ATOM 908 N GLY A 56 -1.541 5.782 11.776 1.00 34.22 N ATOM 909 CA GLY A 56 -2.829 5.250 11.370 1.00 51.35 C ATOM 910 C GLY A 56 -2.803 3.747 11.182 1.00 4.31 C ATOM 911 O GLY A 56 -3.694 3.040 11.654 1.00 23.12 O ATOM 0 H GLY A 56 -1.049 6.309 11.055 1.00 34.22 H new ATOM 0 HA2 GLY A 56 -3.577 5.506 12.120 1.00 51.35 H new ATOM 0 HA3 GLY A 56 -3.137 5.724 10.438 1.00 51.35 H new ATOM 915 N CYS A 57 -1.781 3.257 10.489 1.00 12.03 N ATOM 916 CA CYS A 57 -1.643 1.827 10.236 1.00 5.43 C ATOM 917 C CYS A 57 -1.469 1.059 11.542 1.00 31.32 C ATOM 918 O CYS A 57 -1.926 -0.077 11.670 1.00 55.32 O ATOM 919 CB CYS A 57 -0.454 1.563 9.311 1.00 41.25 C ATOM 920 SG CYS A 57 -0.902 1.365 7.571 1.00 62.11 S ATOM 0 H CYS A 57 -1.036 3.829 10.092 1.00 12.03 H new ATOM 0 HA CYS A 57 -2.555 1.479 9.750 1.00 5.43 H new ATOM 0 HB2 CYS A 57 0.253 2.388 9.401 1.00 41.25 H new ATOM 0 HB3 CYS A 57 0.061 0.663 9.647 1.00 41.25 H new ATOM 0 HG CYS A 57 -0.190 0.412 7.045 1.00 62.11 H new ATOM 926 N GLN A 58 -0.803 1.685 12.506 1.00 73.25 N ATOM 927 CA GLN A 58 -0.565 1.058 13.801 1.00 64.03 C ATOM 928 C GLN A 58 -1.882 0.724 14.494 1.00 43.21 C ATOM 929 O GLN A 58 -2.022 -0.334 15.108 1.00 44.41 O ATOM 930 CB GLN A 58 0.274 1.978 14.690 1.00 63.40 C ATOM 931 CG GLN A 58 1.372 1.253 15.451 1.00 31.30 C ATOM 932 CD GLN A 58 0.826 0.279 16.477 1.00 32.22 C ATOM 933 OE1 GLN A 58 0.440 0.670 17.578 1.00 14.43 O ATOM 934 NE2 GLN A 58 0.792 -1.000 16.119 1.00 73.41 N ATOM 0 H GLN A 58 -0.419 2.625 12.415 1.00 73.25 H new ATOM 0 HA GLN A 58 -0.019 0.130 13.633 1.00 64.03 H new ATOM 0 HB2 GLN A 58 0.724 2.755 14.072 1.00 63.40 H new ATOM 0 HB3 GLN A 58 -0.382 2.478 15.403 1.00 63.40 H new ATOM 0 HG2 GLN A 58 2.004 0.714 14.745 1.00 31.30 H new ATOM 0 HG3 GLN A 58 2.006 1.985 15.952 1.00 31.30 H new ATOM 0 HE21 GLN A 58 1.122 -1.280 15.196 1.00 73.41 H new ATOM 0 HE22 GLN A 58 0.435 -1.702 16.768 1.00 73.41 H new ATOM 943 N LYS A 59 -2.847 1.633 14.391 1.00 35.12 N ATOM 944 CA LYS A 59 -4.153 1.435 15.006 1.00 40.45 C ATOM 945 C LYS A 59 -4.922 0.319 14.306 1.00 13.10 C ATOM 946 O LYS A 59 -5.844 -0.264 14.876 1.00 60.02 O ATOM 947 CB LYS A 59 -4.963 2.733 14.959 1.00 62.04 C ATOM 948 CG LYS A 59 -4.415 3.824 15.863 1.00 3.32 C ATOM 949 CD LYS A 59 -5.513 4.769 16.324 1.00 51.24 C ATOM 950 CE LYS A 59 -4.962 6.153 16.634 1.00 45.43 C ATOM 951 NZ LYS A 59 -5.830 7.231 16.084 1.00 65.20 N ATOM 0 H LYS A 59 -2.748 2.514 13.887 1.00 35.12 H new ATOM 0 HA LYS A 59 -3.997 1.147 16.046 1.00 40.45 H new ATOM 0 HB2 LYS A 59 -4.986 3.100 13.933 1.00 62.04 H new ATOM 0 HB3 LYS A 59 -5.993 2.519 15.244 1.00 62.04 H new ATOM 0 HG2 LYS A 59 -3.935 3.372 16.731 1.00 3.32 H new ATOM 0 HG3 LYS A 59 -3.648 4.387 15.331 1.00 3.32 H new ATOM 0 HD2 LYS A 59 -6.278 4.845 15.551 1.00 51.24 H new ATOM 0 HD3 LYS A 59 -5.997 4.361 17.212 1.00 51.24 H new ATOM 0 HE2 LYS A 59 -4.872 6.275 17.713 1.00 45.43 H new ATOM 0 HE3 LYS A 59 -3.959 6.246 16.218 1.00 45.43 H new ATOM 0 HZ1 LYS A 59 -5.421 8.159 16.316 1.00 65.20 H new ATOM 0 HZ2 LYS A 59 -5.896 7.130 15.051 1.00 65.20 H new ATOM 0 HZ3 LYS A 59 -6.780 7.158 16.500 1.00 65.20 H new ATOM 965 N ILE A 60 -4.533 0.025 13.070 1.00 22.13 N ATOM 966 CA ILE A 60 -5.184 -1.023 12.294 1.00 71.13 C ATOM 967 C ILE A 60 -4.746 -2.406 12.763 1.00 34.11 C ATOM 968 O ILE A 60 -5.559 -3.326 12.865 1.00 30.04 O ATOM 969 CB ILE A 60 -4.880 -0.882 10.791 1.00 33.11 C ATOM 970 CG1 ILE A 60 -5.373 0.471 10.273 1.00 72.21 C ATOM 971 CG2 ILE A 60 -5.523 -2.020 10.012 1.00 34.00 C ATOM 972 CD1 ILE A 60 -4.983 0.747 8.838 1.00 72.41 C ATOM 0 H ILE A 60 -3.770 0.498 12.585 1.00 22.13 H new ATOM 0 HA ILE A 60 -6.257 -0.912 12.451 1.00 71.13 H new ATOM 0 HB ILE A 60 -3.801 -0.933 10.647 1.00 33.11 H new ATOM 0 HG12 ILE A 60 -6.459 0.510 10.360 1.00 72.21 H new ATOM 0 HG13 ILE A 60 -4.973 1.262 10.908 1.00 72.21 H new ATOM 0 HG21 ILE A 60 -5.299 -1.907 8.951 1.00 34.00 H new ATOM 0 HG22 ILE A 60 -5.128 -2.972 10.366 1.00 34.00 H new ATOM 0 HG23 ILE A 60 -6.603 -1.997 10.160 1.00 34.00 H new ATOM 0 HD11 ILE A 60 -5.366 1.723 8.538 1.00 72.41 H new ATOM 0 HD12 ILE A 60 -3.897 0.740 8.748 1.00 72.41 H new ATOM 0 HD13 ILE A 60 -5.405 -0.023 8.192 1.00 72.41 H new ATOM 984 N LEU A 61 -3.456 -2.547 13.049 1.00 11.43 N ATOM 985 CA LEU A 61 -2.909 -3.818 13.509 1.00 55.14 C ATOM 986 C LEU A 61 -3.524 -4.225 14.844 1.00 1.21 C ATOM 987 O LEU A 61 -3.875 -5.387 15.051 1.00 33.45 O ATOM 988 CB LEU A 61 -1.387 -3.722 13.645 1.00 45.42 C ATOM 989 CG LEU A 61 -0.596 -3.717 12.337 1.00 54.40 C ATOM 990 CD1 LEU A 61 0.877 -3.449 12.605 1.00 45.25 C ATOM 991 CD2 LEU A 61 -0.775 -5.037 11.601 1.00 55.42 C ATOM 0 H LEU A 61 -2.770 -1.797 12.970 1.00 11.43 H new ATOM 0 HA LEU A 61 -3.155 -4.579 12.769 1.00 55.14 H new ATOM 0 HB2 LEU A 61 -1.148 -2.811 14.194 1.00 45.42 H new ATOM 0 HB3 LEU A 61 -1.043 -4.560 14.251 1.00 45.42 H new ATOM 0 HG LEU A 61 -0.980 -2.916 11.705 1.00 54.40 H new ATOM 0 HD11 LEU A 61 1.424 -3.449 11.662 1.00 45.25 H new ATOM 0 HD12 LEU A 61 0.988 -2.479 13.089 1.00 45.25 H new ATOM 0 HD13 LEU A 61 1.276 -4.227 13.256 1.00 45.25 H new ATOM 0 HD21 LEU A 61 -0.205 -5.016 10.672 1.00 55.42 H new ATOM 0 HD22 LEU A 61 -0.418 -5.854 12.228 1.00 55.42 H new ATOM 0 HD23 LEU A 61 -1.831 -5.188 11.375 1.00 55.42 H new ATOM 1003 N THR A 62 -3.657 -3.259 15.748 1.00 54.21 N ATOM 1004 CA THR A 62 -4.232 -3.516 17.062 1.00 20.22 C ATOM 1005 C THR A 62 -5.699 -3.915 16.952 1.00 34.15 C ATOM 1006 O THR A 62 -6.214 -4.660 17.786 1.00 43.01 O ATOM 1007 CB THR A 62 -4.115 -2.282 17.977 1.00 72.33 C ATOM 1008 OG1 THR A 62 -3.883 -2.695 19.329 1.00 42.13 O ATOM 1009 CG2 THR A 62 -5.377 -1.436 17.909 1.00 40.24 C ATOM 0 H THR A 62 -3.374 -2.291 15.594 1.00 54.21 H new ATOM 0 HA THR A 62 -3.666 -4.339 17.499 1.00 20.22 H new ATOM 0 HB THR A 62 -3.274 -1.680 17.632 1.00 72.33 H new ATOM 0 HG1 THR A 62 -3.808 -1.905 19.904 1.00 42.13 H new ATOM 0 HG21 THR A 62 -5.271 -0.571 18.563 1.00 40.24 H new ATOM 0 HG22 THR A 62 -5.534 -1.099 16.884 1.00 40.24 H new ATOM 0 HG23 THR A 62 -6.232 -2.031 18.231 1.00 40.24 H new ATOM 1017 N VAL A 63 -6.367 -3.416 15.918 1.00 4.15 N ATOM 1018 CA VAL A 63 -7.775 -3.722 15.697 1.00 3.34 C ATOM 1019 C VAL A 63 -7.944 -5.086 15.038 1.00 4.22 C ATOM 1020 O VAL A 63 -8.870 -5.833 15.359 1.00 52.23 O ATOM 1021 CB VAL A 63 -8.452 -2.652 14.819 1.00 22.44 C ATOM 1022 CG1 VAL A 63 -9.869 -3.074 14.461 1.00 51.34 C ATOM 1023 CG2 VAL A 63 -8.449 -1.304 15.524 1.00 23.44 C ATOM 0 H VAL A 63 -5.956 -2.797 15.219 1.00 4.15 H new ATOM 0 HA VAL A 63 -8.254 -3.733 16.676 1.00 3.34 H new ATOM 0 HB VAL A 63 -7.884 -2.553 13.894 1.00 22.44 H new ATOM 0 HG11 VAL A 63 -10.332 -2.306 13.841 1.00 51.34 H new ATOM 0 HG12 VAL A 63 -9.841 -4.015 13.912 1.00 51.34 H new ATOM 0 HG13 VAL A 63 -10.452 -3.203 15.373 1.00 51.34 H new ATOM 0 HG21 VAL A 63 -8.931 -0.560 14.889 1.00 23.44 H new ATOM 0 HG22 VAL A 63 -8.992 -1.385 16.465 1.00 23.44 H new ATOM 0 HG23 VAL A 63 -7.421 -1.000 15.723 1.00 23.44 H new ATOM 1033 N LEU A 64 -7.045 -5.407 14.115 1.00 72.01 N ATOM 1034 CA LEU A 64 -7.093 -6.683 13.410 1.00 52.12 C ATOM 1035 C LEU A 64 -6.469 -7.793 14.250 1.00 5.34 C ATOM 1036 O LEU A 64 -6.691 -8.977 13.995 1.00 31.04 O ATOM 1037 CB LEU A 64 -6.366 -6.574 12.068 1.00 24.32 C ATOM 1038 CG LEU A 64 -6.961 -5.589 11.061 1.00 73.14 C ATOM 1039 CD1 LEU A 64 -6.222 -5.670 9.735 1.00 71.00 C ATOM 1040 CD2 LEU A 64 -8.446 -5.859 10.864 1.00 2.32 C ATOM 0 H LEU A 64 -6.273 -4.801 13.837 1.00 72.01 H new ATOM 0 HA LEU A 64 -8.139 -6.932 13.231 1.00 52.12 H new ATOM 0 HB2 LEU A 64 -5.332 -6.287 12.260 1.00 24.32 H new ATOM 0 HB3 LEU A 64 -6.342 -7.562 11.609 1.00 24.32 H new ATOM 0 HG LEU A 64 -6.845 -4.580 11.457 1.00 73.14 H new ATOM 0 HD11 LEU A 64 -6.659 -4.962 9.031 1.00 71.00 H new ATOM 0 HD12 LEU A 64 -5.171 -5.426 9.889 1.00 71.00 H new ATOM 0 HD13 LEU A 64 -6.305 -6.680 9.333 1.00 71.00 H new ATOM 0 HD21 LEU A 64 -8.853 -5.149 10.144 1.00 2.32 H new ATOM 0 HD22 LEU A 64 -8.585 -6.874 10.491 1.00 2.32 H new ATOM 0 HD23 LEU A 64 -8.965 -5.748 11.816 1.00 2.32 H new ATOM 1052 N ASP A 65 -5.692 -7.403 15.253 1.00 35.01 N ATOM 1053 CA ASP A 65 -5.038 -8.364 16.133 1.00 65.34 C ATOM 1054 C ASP A 65 -6.046 -9.369 16.684 1.00 21.30 C ATOM 1055 O ASP A 65 -5.951 -10.574 16.447 1.00 22.23 O ATOM 1056 CB ASP A 65 -4.340 -7.641 17.286 1.00 72.02 C ATOM 1057 CG ASP A 65 -2.841 -7.537 17.081 1.00 21.42 C ATOM 1058 OD1 ASP A 65 -2.231 -8.536 16.646 1.00 22.45 O ATOM 1059 OD2 ASP A 65 -2.279 -6.457 17.354 1.00 45.23 O ATOM 0 H ASP A 65 -5.499 -6.427 15.478 1.00 35.01 H new ATOM 0 HA ASP A 65 -4.293 -8.905 15.549 1.00 65.34 H new ATOM 0 HB2 ASP A 65 -4.760 -6.641 17.391 1.00 72.02 H new ATOM 0 HB3 ASP A 65 -4.541 -8.170 18.218 1.00 72.02 H new ATOM 1064 N PRO A 66 -7.035 -8.865 17.436 1.00 42.51 N ATOM 1065 CA PRO A 66 -8.080 -9.700 18.036 1.00 32.44 C ATOM 1066 C PRO A 66 -9.033 -10.273 16.994 1.00 33.33 C ATOM 1067 O PRO A 66 -9.779 -11.212 17.271 1.00 4.24 O ATOM 1068 CB PRO A 66 -8.820 -8.733 18.963 1.00 14.12 C ATOM 1069 CG PRO A 66 -8.582 -7.386 18.372 1.00 10.54 C ATOM 1070 CD PRO A 66 -7.211 -7.439 17.759 1.00 13.30 C ATOM 0 HA PRO A 66 -7.664 -10.567 18.548 1.00 32.44 H new ATOM 0 HB2 PRO A 66 -9.884 -8.963 19.008 1.00 14.12 H new ATOM 0 HB3 PRO A 66 -8.438 -8.791 19.982 1.00 14.12 H new ATOM 0 HG2 PRO A 66 -9.336 -7.151 17.621 1.00 10.54 H new ATOM 0 HG3 PRO A 66 -8.639 -6.610 19.135 1.00 10.54 H new ATOM 0 HD2 PRO A 66 -7.145 -6.814 16.868 1.00 13.30 H new ATOM 0 HD3 PRO A 66 -6.447 -7.087 18.452 1.00 13.30 H new ATOM 1078 N MET A 67 -9.002 -9.703 15.794 1.00 24.45 N ATOM 1079 CA MET A 67 -9.864 -10.160 14.709 1.00 11.20 C ATOM 1080 C MET A 67 -9.323 -11.444 14.089 1.00 64.50 C ATOM 1081 O MET A 67 -10.071 -12.223 13.498 1.00 4.34 O ATOM 1082 CB MET A 67 -9.988 -9.075 13.637 1.00 25.20 C ATOM 1083 CG MET A 67 -10.648 -7.801 14.136 1.00 4.32 C ATOM 1084 SD MET A 67 -12.434 -7.799 13.889 1.00 32.52 S ATOM 1085 CE MET A 67 -12.996 -7.191 15.476 1.00 52.24 C ATOM 0 H MET A 67 -8.390 -8.925 15.548 1.00 24.45 H new ATOM 0 HA MET A 67 -10.851 -10.366 15.124 1.00 11.20 H new ATOM 0 HB2 MET A 67 -8.995 -8.835 13.258 1.00 25.20 H new ATOM 0 HB3 MET A 67 -10.563 -9.468 12.799 1.00 25.20 H new ATOM 0 HG2 MET A 67 -10.432 -7.677 15.197 1.00 4.32 H new ATOM 0 HG3 MET A 67 -10.213 -6.945 13.620 1.00 4.32 H new ATOM 0 HE1 MET A 67 -14.084 -7.134 15.479 1.00 52.24 H new ATOM 0 HE2 MET A 67 -12.666 -7.869 16.263 1.00 52.24 H new ATOM 0 HE3 MET A 67 -12.580 -6.199 15.654 1.00 52.24 H new ATOM 1095 N VAL A 68 -8.018 -11.660 14.228 1.00 2.24 N ATOM 1096 CA VAL A 68 -7.377 -12.850 13.681 1.00 64.50 C ATOM 1097 C VAL A 68 -8.029 -14.120 14.219 1.00 15.34 C ATOM 1098 O VAL A 68 -8.528 -14.957 13.466 1.00 73.53 O ATOM 1099 CB VAL A 68 -5.873 -12.879 14.011 1.00 2.34 C ATOM 1100 CG1 VAL A 68 -5.372 -14.312 14.092 1.00 63.34 C ATOM 1101 CG2 VAL A 68 -5.087 -12.088 12.976 1.00 22.32 C ATOM 0 H VAL A 68 -7.384 -11.026 14.715 1.00 2.24 H new ATOM 0 HA VAL A 68 -7.503 -12.810 12.599 1.00 64.50 H new ATOM 0 HB VAL A 68 -5.722 -12.412 14.984 1.00 2.34 H new ATOM 0 HG11 VAL A 68 -4.307 -14.313 14.326 1.00 63.34 H new ATOM 0 HG12 VAL A 68 -5.915 -14.844 14.873 1.00 63.34 H new ATOM 0 HG13 VAL A 68 -5.533 -14.809 13.135 1.00 63.34 H new ATOM 0 HG21 VAL A 68 -4.026 -12.118 13.224 1.00 22.32 H new ATOM 0 HG22 VAL A 68 -5.242 -12.525 11.990 1.00 22.32 H new ATOM 0 HG23 VAL A 68 -5.429 -11.053 12.972 1.00 22.32 H new ATOM 1111 N PRO A 69 -8.026 -14.268 15.552 1.00 0.45 N ATOM 1112 CA PRO A 69 -8.614 -15.432 16.220 1.00 34.53 C ATOM 1113 C PRO A 69 -10.135 -15.451 16.123 1.00 40.53 C ATOM 1114 O PRO A 69 -10.790 -16.364 16.626 1.00 74.53 O ATOM 1115 CB PRO A 69 -8.172 -15.267 17.676 1.00 40.45 C ATOM 1116 CG PRO A 69 -7.948 -13.802 17.839 1.00 61.43 C ATOM 1117 CD PRO A 69 -7.449 -13.309 16.509 1.00 70.21 C ATOM 0 HA PRO A 69 -8.290 -16.368 15.766 1.00 34.53 H new ATOM 0 HB2 PRO A 69 -8.934 -15.630 18.365 1.00 40.45 H new ATOM 0 HB3 PRO A 69 -7.263 -15.832 17.880 1.00 40.45 H new ATOM 0 HG2 PRO A 69 -8.871 -13.295 18.122 1.00 61.43 H new ATOM 0 HG3 PRO A 69 -7.221 -13.604 18.627 1.00 61.43 H new ATOM 0 HD2 PRO A 69 -7.781 -12.291 16.307 1.00 70.21 H new ATOM 0 HD3 PRO A 69 -6.360 -13.303 16.465 1.00 70.21 H new ATOM 1125 N THR A 70 -10.694 -14.434 15.474 1.00 3.04 N ATOM 1126 CA THR A 70 -12.139 -14.332 15.311 1.00 63.25 C ATOM 1127 C THR A 70 -12.504 -13.897 13.897 1.00 70.12 C ATOM 1128 O THR A 70 -13.455 -13.143 13.695 1.00 1.54 O ATOM 1129 CB THR A 70 -12.748 -13.336 16.316 1.00 64.15 C ATOM 1130 OG1 THR A 70 -12.291 -12.009 16.029 1.00 75.52 O ATOM 1131 CG2 THR A 70 -12.375 -13.710 17.743 1.00 54.10 C ATOM 0 H THR A 70 -10.167 -13.669 15.053 1.00 3.04 H new ATOM 0 HA THR A 70 -12.549 -15.324 15.499 1.00 63.25 H new ATOM 0 HB THR A 70 -13.833 -13.374 16.220 1.00 64.15 H new ATOM 0 HG1 THR A 70 -11.461 -11.835 16.520 1.00 75.52 H new ATOM 0 HG21 THR A 70 -12.816 -12.992 18.434 1.00 54.10 H new ATOM 0 HG22 THR A 70 -12.751 -14.708 17.967 1.00 54.10 H new ATOM 0 HG23 THR A 70 -11.290 -13.698 17.851 1.00 54.10 H new ATOM 1139 N GLY A 71 -11.742 -14.378 12.919 1.00 44.32 N ATOM 1140 CA GLY A 71 -12.003 -14.028 11.535 1.00 23.22 C ATOM 1141 C GLY A 71 -11.632 -15.142 10.575 1.00 44.32 C ATOM 1142 O GLY A 71 -11.185 -16.209 10.996 1.00 2.30 O ATOM 0 H GLY A 71 -10.949 -15.004 13.061 1.00 44.32 H new ATOM 0 HA2 GLY A 71 -13.060 -13.788 11.417 1.00 23.22 H new ATOM 0 HA3 GLY A 71 -11.442 -13.130 11.279 1.00 23.22 H new ATOM 1146 N SER A 72 -11.821 -14.894 9.284 1.00 12.35 N ATOM 1147 CA SER A 72 -11.507 -15.887 8.261 1.00 63.03 C ATOM 1148 C SER A 72 -10.429 -15.370 7.314 1.00 40.14 C ATOM 1149 O SER A 72 -9.800 -14.346 7.574 1.00 12.52 O ATOM 1150 CB SER A 72 -12.766 -16.250 7.471 1.00 1.44 C ATOM 1151 OG SER A 72 -12.895 -15.437 6.317 1.00 32.14 O ATOM 0 H SER A 72 -12.190 -14.015 8.920 1.00 12.35 H new ATOM 0 HA SER A 72 -11.129 -16.780 8.759 1.00 63.03 H new ATOM 0 HB2 SER A 72 -12.726 -17.299 7.178 1.00 1.44 H new ATOM 0 HB3 SER A 72 -13.644 -16.130 8.105 1.00 1.44 H new ATOM 0 HG SER A 72 -13.706 -15.689 5.828 1.00 32.14 H new ATOM 1157 N GLU A 73 -10.223 -16.087 6.215 1.00 62.41 N ATOM 1158 CA GLU A 73 -9.219 -15.702 5.229 1.00 24.41 C ATOM 1159 C GLU A 73 -9.437 -14.265 4.765 1.00 41.23 C ATOM 1160 O GLU A 73 -8.484 -13.506 4.597 1.00 13.13 O ATOM 1161 CB GLU A 73 -9.264 -16.649 4.028 1.00 34.41 C ATOM 1162 CG GLU A 73 -8.005 -16.611 3.177 1.00 20.51 C ATOM 1163 CD GLU A 73 -8.063 -15.550 2.095 1.00 63.12 C ATOM 1164 OE1 GLU A 73 -9.010 -15.582 1.283 1.00 44.32 O ATOM 1165 OE2 GLU A 73 -7.160 -14.688 2.062 1.00 24.31 O ATOM 0 H GLU A 73 -10.737 -16.937 5.984 1.00 62.41 H new ATOM 0 HA GLU A 73 -8.238 -15.769 5.700 1.00 24.41 H new ATOM 0 HB2 GLU A 73 -9.421 -17.667 4.384 1.00 34.41 H new ATOM 0 HB3 GLU A 73 -10.121 -16.393 3.406 1.00 34.41 H new ATOM 0 HG2 GLU A 73 -7.143 -16.424 3.818 1.00 20.51 H new ATOM 0 HG3 GLU A 73 -7.853 -17.587 2.716 1.00 20.51 H new ATOM 1172 N ASN A 74 -10.698 -13.899 4.561 1.00 64.34 N ATOM 1173 CA ASN A 74 -11.041 -12.553 4.116 1.00 71.53 C ATOM 1174 C ASN A 74 -10.562 -11.509 5.120 1.00 72.41 C ATOM 1175 O ASN A 74 -10.427 -10.330 4.790 1.00 65.25 O ATOM 1176 CB ASN A 74 -12.553 -12.429 3.916 1.00 71.23 C ATOM 1177 CG ASN A 74 -12.988 -12.838 2.522 1.00 42.13 C ATOM 1178 OD1 ASN A 74 -12.194 -13.363 1.742 1.00 25.44 O ATOM 1179 ND2 ASN A 74 -14.255 -12.599 2.204 1.00 14.54 N ATOM 0 H ASN A 74 -11.499 -14.515 4.697 1.00 64.34 H new ATOM 0 HA ASN A 74 -10.540 -12.373 3.165 1.00 71.53 H new ATOM 0 HB2 ASN A 74 -13.066 -13.050 4.650 1.00 71.23 H new ATOM 0 HB3 ASN A 74 -12.858 -11.399 4.101 1.00 71.23 H new ATOM 0 HD21 ASN A 74 -14.606 -12.853 1.280 1.00 14.54 H new ATOM 0 HD22 ASN A 74 -14.877 -12.161 2.883 1.00 14.54 H new ATOM 1186 N LEU A 75 -10.305 -11.951 6.346 1.00 65.25 N ATOM 1187 CA LEU A 75 -9.841 -11.056 7.400 1.00 53.13 C ATOM 1188 C LEU A 75 -8.331 -11.169 7.585 1.00 15.05 C ATOM 1189 O LEU A 75 -7.614 -10.168 7.565 1.00 3.23 O ATOM 1190 CB LEU A 75 -10.552 -11.373 8.717 1.00 72.00 C ATOM 1191 CG LEU A 75 -10.407 -10.330 9.826 1.00 13.50 C ATOM 1192 CD1 LEU A 75 -11.702 -10.204 10.613 1.00 32.41 C ATOM 1193 CD2 LEU A 75 -9.252 -10.690 10.750 1.00 20.21 C ATOM 0 H LEU A 75 -10.410 -12.924 6.635 1.00 65.25 H new ATOM 0 HA LEU A 75 -10.077 -10.034 7.104 1.00 53.13 H new ATOM 0 HB2 LEU A 75 -11.614 -11.509 8.510 1.00 72.00 H new ATOM 0 HB3 LEU A 75 -10.175 -12.325 9.090 1.00 72.00 H new ATOM 0 HG LEU A 75 -10.190 -9.366 9.365 1.00 13.50 H new ATOM 0 HD11 LEU A 75 -11.580 -9.457 11.398 1.00 32.41 H new ATOM 0 HD12 LEU A 75 -12.506 -9.899 9.944 1.00 32.41 H new ATOM 0 HD13 LEU A 75 -11.950 -11.166 11.063 1.00 32.41 H new ATOM 0 HD21 LEU A 75 -9.164 -9.937 11.533 1.00 20.21 H new ATOM 0 HD22 LEU A 75 -9.438 -11.664 11.203 1.00 20.21 H new ATOM 0 HD23 LEU A 75 -8.326 -10.728 10.177 1.00 20.21 H new ATOM 1205 N LYS A 76 -7.852 -12.396 7.760 1.00 62.15 N ATOM 1206 CA LYS A 76 -6.427 -12.643 7.944 1.00 72.11 C ATOM 1207 C LYS A 76 -5.618 -12.039 6.801 1.00 23.15 C ATOM 1208 O LYS A 76 -4.510 -11.544 7.005 1.00 41.00 O ATOM 1209 CB LYS A 76 -6.156 -14.146 8.036 1.00 73.33 C ATOM 1210 CG LYS A 76 -6.062 -14.661 9.462 1.00 32.34 C ATOM 1211 CD LYS A 76 -7.236 -15.563 9.807 1.00 32.42 C ATOM 1212 CE LYS A 76 -6.857 -16.590 10.864 1.00 20.25 C ATOM 1213 NZ LYS A 76 -6.775 -17.965 10.298 1.00 51.10 N ATOM 0 H LYS A 76 -8.431 -13.236 7.778 1.00 62.15 H new ATOM 0 HA LYS A 76 -6.119 -12.167 8.875 1.00 72.11 H new ATOM 0 HB2 LYS A 76 -6.950 -14.682 7.517 1.00 73.33 H new ATOM 0 HB3 LYS A 76 -5.225 -14.371 7.515 1.00 73.33 H new ATOM 0 HG2 LYS A 76 -5.129 -15.210 9.591 1.00 32.34 H new ATOM 0 HG3 LYS A 76 -6.034 -13.819 10.153 1.00 32.34 H new ATOM 0 HD2 LYS A 76 -8.068 -14.958 10.168 1.00 32.42 H new ATOM 0 HD3 LYS A 76 -7.580 -16.074 8.908 1.00 32.42 H new ATOM 0 HE2 LYS A 76 -5.897 -16.321 11.304 1.00 20.25 H new ATOM 0 HE3 LYS A 76 -7.593 -16.572 11.668 1.00 20.25 H new ATOM 0 HZ1 LYS A 76 -6.514 -18.635 11.050 1.00 51.10 H new ATOM 0 HZ2 LYS A 76 -7.698 -18.232 9.901 1.00 51.10 H new ATOM 0 HZ3 LYS A 76 -6.055 -17.989 9.548 1.00 51.10 H new ATOM 1227 N SER A 77 -6.180 -12.082 5.597 1.00 34.55 N ATOM 1228 CA SER A 77 -5.510 -11.541 4.421 1.00 12.02 C ATOM 1229 C SER A 77 -5.109 -10.086 4.644 1.00 70.20 C ATOM 1230 O SER A 77 -4.001 -9.676 4.301 1.00 14.15 O ATOM 1231 CB SER A 77 -6.419 -11.649 3.195 1.00 31.24 C ATOM 1232 OG SER A 77 -6.046 -10.713 2.199 1.00 1.25 O ATOM 0 H SER A 77 -7.098 -12.486 5.411 1.00 34.55 H new ATOM 0 HA SER A 77 -4.607 -12.126 4.248 1.00 12.02 H new ATOM 0 HB2 SER A 77 -6.367 -12.659 2.787 1.00 31.24 H new ATOM 0 HB3 SER A 77 -7.454 -11.478 3.490 1.00 31.24 H new ATOM 0 HG SER A 77 -6.567 -9.891 2.311 1.00 1.25 H new ATOM 1238 N LEU A 78 -6.020 -9.311 5.224 1.00 21.35 N ATOM 1239 CA LEU A 78 -5.763 -7.902 5.495 1.00 12.55 C ATOM 1240 C LEU A 78 -4.671 -7.739 6.548 1.00 5.34 C ATOM 1241 O LEU A 78 -3.774 -6.910 6.403 1.00 54.42 O ATOM 1242 CB LEU A 78 -7.045 -7.209 5.960 1.00 62.13 C ATOM 1243 CG LEU A 78 -6.889 -5.773 6.461 1.00 1.12 C ATOM 1244 CD1 LEU A 78 -6.584 -4.835 5.303 1.00 5.23 C ATOM 1245 CD2 LEU A 78 -8.144 -5.325 7.197 1.00 31.45 C ATOM 0 H LEU A 78 -6.942 -9.635 5.515 1.00 21.35 H new ATOM 0 HA LEU A 78 -5.421 -7.437 4.570 1.00 12.55 H new ATOM 0 HB2 LEU A 78 -7.754 -7.209 5.132 1.00 62.13 H new ATOM 0 HB3 LEU A 78 -7.487 -7.805 6.758 1.00 62.13 H new ATOM 0 HG LEU A 78 -6.052 -5.740 7.159 1.00 1.12 H new ATOM 0 HD11 LEU A 78 -6.476 -3.817 5.678 1.00 5.23 H new ATOM 0 HD12 LEU A 78 -5.657 -5.144 4.819 1.00 5.23 H new ATOM 0 HD13 LEU A 78 -7.400 -4.871 4.581 1.00 5.23 H new ATOM 0 HD21 LEU A 78 -8.015 -4.301 7.546 1.00 31.45 H new ATOM 0 HD22 LEU A 78 -8.998 -5.373 6.522 1.00 31.45 H new ATOM 0 HD23 LEU A 78 -8.319 -5.980 8.050 1.00 31.45 H new ATOM 1257 N PHE A 79 -4.756 -8.537 7.607 1.00 73.40 N ATOM 1258 CA PHE A 79 -3.774 -8.483 8.684 1.00 3.31 C ATOM 1259 C PHE A 79 -2.354 -8.567 8.132 1.00 24.34 C ATOM 1260 O PHE A 79 -1.456 -7.863 8.591 1.00 3.32 O ATOM 1261 CB PHE A 79 -4.015 -9.621 9.679 1.00 71.12 C ATOM 1262 CG PHE A 79 -3.299 -9.435 10.986 1.00 22.32 C ATOM 1263 CD1 PHE A 79 -3.314 -8.209 11.632 1.00 22.35 C ATOM 1264 CD2 PHE A 79 -2.610 -10.487 11.569 1.00 31.31 C ATOM 1265 CE1 PHE A 79 -2.656 -8.036 12.835 1.00 43.15 C ATOM 1266 CE2 PHE A 79 -1.951 -10.319 12.772 1.00 43.00 C ATOM 1267 CZ PHE A 79 -1.974 -9.091 13.405 1.00 74.53 C ATOM 0 H PHE A 79 -5.494 -9.228 7.743 1.00 73.40 H new ATOM 0 HA PHE A 79 -3.888 -7.529 9.198 1.00 3.31 H new ATOM 0 HB2 PHE A 79 -5.085 -9.707 9.869 1.00 71.12 H new ATOM 0 HB3 PHE A 79 -3.695 -10.561 9.229 1.00 71.12 H new ATOM 0 HD1 PHE A 79 -3.846 -7.379 11.190 1.00 22.35 H new ATOM 0 HD2 PHE A 79 -2.588 -11.449 11.078 1.00 31.31 H new ATOM 0 HE1 PHE A 79 -2.676 -7.076 13.328 1.00 43.15 H new ATOM 0 HE2 PHE A 79 -1.419 -11.147 13.217 1.00 43.00 H new ATOM 0 HZ PHE A 79 -1.459 -8.957 14.345 1.00 74.53 H new ATOM 1277 N ASN A 80 -2.161 -9.434 7.143 1.00 43.12 N ATOM 1278 CA ASN A 80 -0.850 -9.612 6.528 1.00 61.24 C ATOM 1279 C ASN A 80 -0.469 -8.391 5.697 1.00 43.10 C ATOM 1280 O ASN A 80 0.696 -7.994 5.653 1.00 42.32 O ATOM 1281 CB ASN A 80 -0.842 -10.864 5.649 1.00 63.52 C ATOM 1282 CG ASN A 80 -0.575 -12.127 6.445 1.00 63.32 C ATOM 1283 OD1 ASN A 80 -0.016 -12.078 7.541 1.00 21.21 O ATOM 1284 ND2 ASN A 80 -0.976 -13.268 5.895 1.00 54.31 N ATOM 0 H ASN A 80 -2.895 -10.024 6.751 1.00 43.12 H new ATOM 0 HA ASN A 80 -0.115 -9.731 7.325 1.00 61.24 H new ATOM 0 HB2 ASN A 80 -1.802 -10.954 5.141 1.00 63.52 H new ATOM 0 HB3 ASN A 80 -0.081 -10.757 4.876 1.00 63.52 H new ATOM 0 HD21 ASN A 80 -0.824 -14.151 6.383 1.00 54.31 H new ATOM 0 HD22 ASN A 80 -1.435 -13.261 4.984 1.00 54.31 H new ATOM 1291 N THR A 81 -1.460 -7.797 5.039 1.00 24.00 N ATOM 1292 CA THR A 81 -1.231 -6.622 4.209 1.00 14.12 C ATOM 1293 C THR A 81 -0.904 -5.401 5.062 1.00 21.10 C ATOM 1294 O THR A 81 -0.060 -4.583 4.695 1.00 61.33 O ATOM 1295 CB THR A 81 -2.455 -6.306 3.329 1.00 64.23 C ATOM 1296 OG1 THR A 81 -2.791 -7.447 2.531 1.00 25.11 O ATOM 1297 CG2 THR A 81 -2.181 -5.112 2.428 1.00 62.10 C ATOM 0 H THR A 81 -2.430 -8.112 5.065 1.00 24.00 H new ATOM 0 HA THR A 81 -0.381 -6.852 3.566 1.00 14.12 H new ATOM 0 HB THR A 81 -3.292 -6.061 3.983 1.00 64.23 H new ATOM 0 HG1 THR A 81 -3.186 -8.140 3.101 1.00 25.11 H new ATOM 0 HG21 THR A 81 -3.060 -4.908 1.816 1.00 62.10 H new ATOM 0 HG22 THR A 81 -1.955 -4.239 3.040 1.00 62.10 H new ATOM 0 HG23 THR A 81 -1.332 -5.332 1.781 1.00 62.10 H new ATOM 1305 N VAL A 82 -1.577 -5.285 6.202 1.00 63.30 N ATOM 1306 CA VAL A 82 -1.357 -4.164 7.109 1.00 33.41 C ATOM 1307 C VAL A 82 0.079 -4.146 7.620 1.00 55.23 C ATOM 1308 O VAL A 82 0.632 -3.083 7.908 1.00 72.41 O ATOM 1309 CB VAL A 82 -2.318 -4.218 8.311 1.00 63.34 C ATOM 1310 CG1 VAL A 82 -2.157 -2.980 9.180 1.00 15.13 C ATOM 1311 CG2 VAL A 82 -3.756 -4.364 7.837 1.00 3.03 C ATOM 0 H VAL A 82 -2.279 -5.953 6.520 1.00 63.30 H new ATOM 0 HA VAL A 82 -1.549 -3.254 6.541 1.00 33.41 H new ATOM 0 HB VAL A 82 -2.068 -5.091 8.915 1.00 63.34 H new ATOM 0 HG11 VAL A 82 -2.844 -3.036 10.024 1.00 15.13 H new ATOM 0 HG12 VAL A 82 -1.133 -2.925 9.549 1.00 15.13 H new ATOM 0 HG13 VAL A 82 -2.378 -2.090 8.590 1.00 15.13 H new ATOM 0 HG21 VAL A 82 -4.421 -4.401 8.700 1.00 3.03 H new ATOM 0 HG22 VAL A 82 -4.021 -3.512 7.210 1.00 3.03 H new ATOM 0 HG23 VAL A 82 -3.858 -5.284 7.261 1.00 3.03 H new ATOM 1321 N CYS A 83 0.678 -5.327 7.730 1.00 43.32 N ATOM 1322 CA CYS A 83 2.050 -5.446 8.208 1.00 15.51 C ATOM 1323 C CYS A 83 3.026 -4.807 7.224 1.00 64.14 C ATOM 1324 O CYS A 83 4.016 -4.195 7.625 1.00 74.41 O ATOM 1325 CB CYS A 83 2.412 -6.916 8.421 1.00 71.42 C ATOM 1326 SG CYS A 83 1.756 -7.625 9.950 1.00 0.41 S ATOM 0 H CYS A 83 0.235 -6.215 7.495 1.00 43.32 H new ATOM 0 HA CYS A 83 2.124 -4.919 9.159 1.00 15.51 H new ATOM 0 HB2 CYS A 83 2.041 -7.496 7.576 1.00 71.42 H new ATOM 0 HB3 CYS A 83 3.498 -7.015 8.424 1.00 71.42 H new ATOM 0 HG CYS A 83 0.486 -7.861 9.809 1.00 0.41 H new ATOM 1332 N VAL A 84 2.739 -4.955 5.935 1.00 53.22 N ATOM 1333 CA VAL A 84 3.591 -4.394 4.894 1.00 11.30 C ATOM 1334 C VAL A 84 3.478 -2.874 4.852 1.00 12.53 C ATOM 1335 O VAL A 84 4.455 -2.161 5.084 1.00 72.24 O ATOM 1336 CB VAL A 84 3.233 -4.963 3.508 1.00 2.33 C ATOM 1337 CG1 VAL A 84 4.049 -4.278 2.422 1.00 4.50 C ATOM 1338 CG2 VAL A 84 3.449 -6.468 3.479 1.00 5.22 C ATOM 0 H VAL A 84 1.923 -5.459 5.587 1.00 53.22 H new ATOM 0 HA VAL A 84 4.616 -4.673 5.139 1.00 11.30 H new ATOM 0 HB VAL A 84 2.178 -4.766 3.315 1.00 2.33 H new ATOM 0 HG11 VAL A 84 3.782 -4.693 1.450 1.00 4.50 H new ATOM 0 HG12 VAL A 84 3.839 -3.208 2.430 1.00 4.50 H new ATOM 0 HG13 VAL A 84 5.111 -4.441 2.607 1.00 4.50 H new ATOM 0 HG21 VAL A 84 3.191 -6.854 2.493 1.00 5.22 H new ATOM 0 HG22 VAL A 84 4.494 -6.690 3.694 1.00 5.22 H new ATOM 0 HG23 VAL A 84 2.816 -6.941 4.230 1.00 5.22 H new ATOM 1348 N ILE A 85 2.280 -2.383 4.552 1.00 44.14 N ATOM 1349 CA ILE A 85 2.039 -0.948 4.482 1.00 44.41 C ATOM 1350 C ILE A 85 2.693 -0.221 5.653 1.00 64.13 C ATOM 1351 O ILE A 85 3.394 0.772 5.466 1.00 34.20 O ATOM 1352 CB ILE A 85 0.532 -0.630 4.472 1.00 5.31 C ATOM 1353 CG1 ILE A 85 -0.146 -1.302 3.277 1.00 34.13 C ATOM 1354 CG2 ILE A 85 0.308 0.875 4.437 1.00 52.01 C ATOM 1355 CD1 ILE A 85 0.262 -0.717 1.942 1.00 71.15 C ATOM 0 H ILE A 85 1.462 -2.958 4.354 1.00 44.14 H new ATOM 0 HA ILE A 85 2.482 -0.600 3.549 1.00 44.41 H new ATOM 0 HB ILE A 85 0.087 -1.023 5.386 1.00 5.31 H new ATOM 0 HG12 ILE A 85 0.091 -2.366 3.286 1.00 34.13 H new ATOM 0 HG13 ILE A 85 -1.227 -1.216 3.387 1.00 34.13 H new ATOM 0 HG21 ILE A 85 -0.762 1.084 4.430 1.00 52.01 H new ATOM 0 HG22 ILE A 85 0.761 1.331 5.317 1.00 52.01 H new ATOM 0 HG23 ILE A 85 0.764 1.290 3.538 1.00 52.01 H new ATOM 0 HD11 ILE A 85 -0.258 -1.242 1.141 1.00 71.15 H new ATOM 0 HD12 ILE A 85 -0.000 0.341 1.913 1.00 71.15 H new ATOM 0 HD13 ILE A 85 1.338 -0.828 1.810 1.00 71.15 H new ATOM 1367 N TRP A 86 2.457 -0.725 6.859 1.00 54.13 N ATOM 1368 CA TRP A 86 3.025 -0.126 8.061 1.00 2.41 C ATOM 1369 C TRP A 86 4.547 -0.067 7.974 1.00 43.04 C ATOM 1370 O TRP A 86 5.152 0.971 8.240 1.00 14.21 O ATOM 1371 CB TRP A 86 2.603 -0.918 9.300 1.00 10.02 C ATOM 1372 CG TRP A 86 3.127 -0.342 10.580 1.00 42.13 C ATOM 1373 CD1 TRP A 86 2.475 0.516 11.420 1.00 14.33 C ATOM 1374 CD2 TRP A 86 4.411 -0.582 11.166 1.00 52.41 C ATOM 1375 NE1 TRP A 86 3.277 0.824 12.492 1.00 11.43 N ATOM 1376 CE2 TRP A 86 4.470 0.163 12.360 1.00 23.30 C ATOM 1377 CE3 TRP A 86 5.516 -1.355 10.800 1.00 23.31 C ATOM 1378 CZ2 TRP A 86 5.591 0.157 13.186 1.00 65.12 C ATOM 1379 CZ3 TRP A 86 6.627 -1.360 11.621 1.00 13.50 C ATOM 1380 CH2 TRP A 86 6.658 -0.608 12.803 1.00 20.33 C ATOM 0 H TRP A 86 1.877 -1.546 7.030 1.00 54.13 H new ATOM 0 HA TRP A 86 2.645 0.892 8.143 1.00 2.41 H new ATOM 0 HB2 TRP A 86 1.515 -0.955 9.345 1.00 10.02 H new ATOM 0 HB3 TRP A 86 2.953 -1.946 9.202 1.00 10.02 H new ATOM 0 HD1 TRP A 86 1.476 0.896 11.264 1.00 14.33 H new ATOM 0 HE1 TRP A 86 3.025 1.444 13.262 1.00 11.43 H new ATOM 0 HE3 TRP A 86 5.502 -1.938 9.891 1.00 23.31 H new ATOM 0 HZ2 TRP A 86 5.617 0.736 14.097 1.00 65.12 H new ATOM 0 HZ3 TRP A 86 7.487 -1.954 11.347 1.00 13.50 H new ATOM 0 HH2 TRP A 86 7.542 -0.633 13.424 1.00 20.33 H new ATOM 1391 N CYS A 87 5.157 -1.186 7.600 1.00 10.21 N ATOM 1392 CA CYS A 87 6.608 -1.261 7.478 1.00 62.23 C ATOM 1393 C CYS A 87 7.142 -0.116 6.623 1.00 71.02 C ATOM 1394 O CYS A 87 8.103 0.555 6.998 1.00 14.50 O ATOM 1395 CB CYS A 87 7.021 -2.603 6.872 1.00 3.43 C ATOM 1396 SG CYS A 87 7.417 -3.875 8.093 1.00 20.20 S ATOM 0 H CYS A 87 4.669 -2.053 7.376 1.00 10.21 H new ATOM 0 HA CYS A 87 7.037 -1.175 8.476 1.00 62.23 H new ATOM 0 HB2 CYS A 87 6.214 -2.965 6.235 1.00 3.43 H new ATOM 0 HB3 CYS A 87 7.889 -2.448 6.231 1.00 3.43 H new ATOM 0 HG CYS A 87 7.752 -4.973 7.483 1.00 20.20 H new ATOM 1402 N ILE A 88 6.513 0.099 5.473 1.00 41.31 N ATOM 1403 CA ILE A 88 6.926 1.162 4.564 1.00 70.34 C ATOM 1404 C ILE A 88 7.041 2.496 5.295 1.00 23.33 C ATOM 1405 O ILE A 88 7.925 3.301 5.003 1.00 43.45 O ATOM 1406 CB ILE A 88 5.939 1.315 3.392 1.00 35.50 C ATOM 1407 CG1 ILE A 88 5.847 0.008 2.602 1.00 24.11 C ATOM 1408 CG2 ILE A 88 6.367 2.459 2.485 1.00 10.11 C ATOM 1409 CD1 ILE A 88 4.564 -0.130 1.811 1.00 3.42 C ATOM 0 H ILE A 88 5.716 -0.448 5.148 1.00 41.31 H new ATOM 0 HA ILE A 88 7.903 0.880 4.171 1.00 70.34 H new ATOM 0 HB ILE A 88 4.953 1.546 3.794 1.00 35.50 H new ATOM 0 HG12 ILE A 88 6.694 -0.055 1.919 1.00 24.11 H new ATOM 0 HG13 ILE A 88 5.931 -0.831 3.292 1.00 24.11 H new ATOM 0 HG21 ILE A 88 5.659 2.555 1.661 1.00 10.11 H new ATOM 0 HG22 ILE A 88 6.387 3.388 3.055 1.00 10.11 H new ATOM 0 HG23 ILE A 88 7.361 2.256 2.087 1.00 10.11 H new ATOM 0 HD11 ILE A 88 4.567 -1.080 1.276 1.00 3.42 H new ATOM 0 HD12 ILE A 88 3.712 -0.099 2.491 1.00 3.42 H new ATOM 0 HD13 ILE A 88 4.487 0.689 1.096 1.00 3.42 H new ATOM 1421 N HIS A 89 6.141 2.722 6.247 1.00 32.40 N ATOM 1422 CA HIS A 89 6.142 3.957 7.023 1.00 32.05 C ATOM 1423 C HIS A 89 7.219 3.919 8.103 1.00 1.52 C ATOM 1424 O HIS A 89 7.770 4.981 8.391 1.00 3.04 O ATOM 1425 CB HIS A 89 4.771 4.185 7.662 1.00 51.21 C ATOM 1426 CG HIS A 89 3.645 4.202 6.674 1.00 12.22 C ATOM 1427 ND1 HIS A 89 3.581 5.093 5.622 1.00 43.13 N ATOM 1428 CD2 HIS A 89 2.537 3.432 6.581 1.00 21.15 C ATOM 1429 CE1 HIS A 89 2.481 4.868 4.927 1.00 5.32 C ATOM 1430 NE2 HIS A 89 1.829 3.865 5.488 1.00 34.24 N ATOM 0 H HIS A 89 5.402 2.066 6.499 1.00 32.40 H new ATOM 0 HA HIS A 89 6.360 4.782 6.345 1.00 32.05 H new ATOM 0 HB2 HIS A 89 4.587 3.401 8.397 1.00 51.21 H new ATOM 0 HB3 HIS A 89 4.784 5.132 8.202 1.00 51.21 H new ATOM 0 HD2 HIS A 89 2.261 2.626 7.244 1.00 21.15 H new ATOM 0 HE1 HIS A 89 2.167 5.412 4.048 1.00 5.32 H new ATOM 0 HE2 HIS A 89 0.944 3.476 5.162 1.00 34.24 H new ATOM 1438 N ALA A 90 7.524 2.765 8.687 1.00 21.01 N ATOM 1439 CA ALA A 90 8.547 2.679 9.722 1.00 23.11 C ATOM 1440 C ALA A 90 9.932 2.494 9.111 1.00 25.34 C ATOM 1441 O ALA A 90 10.887 2.153 9.808 1.00 3.11 O ATOM 1442 CB ALA A 90 8.234 1.540 10.680 1.00 30.22 C ATOM 0 H ALA A 90 7.077 1.876 8.461 1.00 21.01 H new ATOM 0 HA ALA A 90 8.546 3.617 10.278 1.00 23.11 H new ATOM 0 HB1 ALA A 90 9.006 1.488 11.448 1.00 30.22 H new ATOM 0 HB2 ALA A 90 7.266 1.715 11.150 1.00 30.22 H new ATOM 0 HB3 ALA A 90 8.205 0.599 10.130 1.00 30.22 H new ATOM 1448 N GLU A 91 10.032 2.719 7.805 1.00 2.25 N ATOM 1449 CA GLU A 91 11.301 2.575 7.100 1.00 22.23 C ATOM 1450 C GLU A 91 11.726 1.111 7.040 1.00 72.51 C ATOM 1451 O GLU A 91 12.839 0.793 6.622 1.00 4.55 O ATOM 1452 CB GLU A 91 12.387 3.405 7.786 1.00 73.32 C ATOM 1453 CG GLU A 91 11.926 4.793 8.195 1.00 15.33 C ATOM 1454 CD GLU A 91 11.829 4.957 9.699 1.00 42.31 C ATOM 1455 OE1 GLU A 91 12.671 4.377 10.415 1.00 20.01 O ATOM 1456 OE2 GLU A 91 10.909 5.666 10.159 1.00 63.14 O ATOM 0 H GLU A 91 9.250 3.002 7.214 1.00 2.25 H new ATOM 0 HA GLU A 91 11.165 2.938 6.081 1.00 22.23 H new ATOM 0 HB2 GLU A 91 12.735 2.872 8.671 1.00 73.32 H new ATOM 0 HB3 GLU A 91 13.240 3.498 7.114 1.00 73.32 H new ATOM 0 HG2 GLU A 91 12.619 5.534 7.797 1.00 15.33 H new ATOM 0 HG3 GLU A 91 10.953 4.995 7.748 1.00 15.33 H new ATOM 1463 N GLU A 92 10.830 0.222 7.461 1.00 33.25 N ATOM 1464 CA GLU A 92 11.113 -1.208 7.456 1.00 32.54 C ATOM 1465 C GLU A 92 10.961 -1.788 6.052 1.00 12.03 C ATOM 1466 O GLU A 92 9.943 -1.584 5.391 1.00 24.24 O ATOM 1467 CB GLU A 92 10.182 -1.939 8.425 1.00 11.23 C ATOM 1468 CG GLU A 92 10.526 -1.710 9.887 1.00 71.03 C ATOM 1469 CD GLU A 92 11.415 -2.800 10.455 1.00 61.02 C ATOM 1470 OE1 GLU A 92 12.230 -3.359 9.692 1.00 23.25 O ATOM 1471 OE2 GLU A 92 11.295 -3.093 11.663 1.00 21.14 O ATOM 0 H GLU A 92 9.903 0.468 7.809 1.00 33.25 H new ATOM 0 HA GLU A 92 12.144 -1.349 7.779 1.00 32.54 H new ATOM 0 HB2 GLU A 92 9.157 -1.614 8.246 1.00 11.23 H new ATOM 0 HB3 GLU A 92 10.219 -3.008 8.215 1.00 11.23 H new ATOM 0 HG2 GLU A 92 11.026 -0.747 9.992 1.00 71.03 H new ATOM 0 HG3 GLU A 92 9.606 -1.657 10.469 1.00 71.03 H new ATOM 1478 N LYS A 93 11.981 -2.512 5.603 1.00 44.54 N ATOM 1479 CA LYS A 93 11.962 -3.123 4.280 1.00 4.35 C ATOM 1480 C LYS A 93 11.902 -4.644 4.383 1.00 2.10 C ATOM 1481 O LYS A 93 12.678 -5.257 5.116 1.00 4.01 O ATOM 1482 CB LYS A 93 13.201 -2.704 3.484 1.00 45.01 C ATOM 1483 CG LYS A 93 13.174 -3.155 2.034 1.00 62.03 C ATOM 1484 CD LYS A 93 14.188 -4.256 1.774 1.00 62.34 C ATOM 1485 CE LYS A 93 14.542 -4.350 0.298 1.00 71.14 C ATOM 1486 NZ LYS A 93 14.640 -5.764 -0.159 1.00 34.33 N ATOM 0 H LYS A 93 12.832 -2.690 6.137 1.00 44.54 H new ATOM 0 HA LYS A 93 11.069 -2.776 3.760 1.00 4.35 H new ATOM 0 HB2 LYS A 93 13.293 -1.618 3.516 1.00 45.01 H new ATOM 0 HB3 LYS A 93 14.088 -3.114 3.967 1.00 45.01 H new ATOM 0 HG2 LYS A 93 12.175 -3.512 1.781 1.00 62.03 H new ATOM 0 HG3 LYS A 93 13.383 -2.306 1.384 1.00 62.03 H new ATOM 0 HD2 LYS A 93 15.091 -4.065 2.354 1.00 62.34 H new ATOM 0 HD3 LYS A 93 13.786 -5.210 2.114 1.00 62.34 H new ATOM 0 HE2 LYS A 93 13.787 -3.829 -0.291 1.00 71.14 H new ATOM 0 HE3 LYS A 93 15.490 -3.844 0.119 1.00 71.14 H new ATOM 0 HZ1 LYS A 93 14.883 -5.786 -1.170 1.00 34.33 H new ATOM 0 HZ2 LYS A 93 15.378 -6.254 0.385 1.00 34.33 H new ATOM 0 HZ3 LYS A 93 13.727 -6.240 -0.012 1.00 34.33 H new ATOM 1500 N VAL A 94 10.977 -5.246 3.643 1.00 72.52 N ATOM 1501 CA VAL A 94 10.818 -6.696 3.649 1.00 62.13 C ATOM 1502 C VAL A 94 10.823 -7.256 2.232 1.00 12.42 C ATOM 1503 O VAL A 94 10.242 -6.669 1.318 1.00 12.22 O ATOM 1504 CB VAL A 94 9.511 -7.113 4.350 1.00 63.53 C ATOM 1505 CG1 VAL A 94 9.609 -6.874 5.849 1.00 64.24 C ATOM 1506 CG2 VAL A 94 8.327 -6.365 3.758 1.00 23.04 C ATOM 0 H VAL A 94 10.326 -4.753 3.032 1.00 72.52 H new ATOM 0 HA VAL A 94 11.665 -7.105 4.200 1.00 62.13 H new ATOM 0 HB VAL A 94 9.356 -8.179 4.186 1.00 63.53 H new ATOM 0 HG11 VAL A 94 8.677 -7.174 6.327 1.00 64.24 H new ATOM 0 HG12 VAL A 94 10.432 -7.460 6.258 1.00 64.24 H new ATOM 0 HG13 VAL A 94 9.789 -5.816 6.038 1.00 64.24 H new ATOM 0 HG21 VAL A 94 7.412 -6.672 4.265 1.00 23.04 H new ATOM 0 HG22 VAL A 94 8.472 -5.293 3.889 1.00 23.04 H new ATOM 0 HG23 VAL A 94 8.247 -6.593 2.695 1.00 23.04 H new ATOM 1516 N LYS A 95 11.482 -8.395 2.055 1.00 34.55 N ATOM 1517 CA LYS A 95 11.562 -9.038 0.747 1.00 54.04 C ATOM 1518 C LYS A 95 10.214 -9.629 0.348 1.00 54.31 C ATOM 1519 O LYS A 95 9.706 -9.358 -0.741 1.00 43.14 O ATOM 1520 CB LYS A 95 12.628 -10.136 0.761 1.00 13.41 C ATOM 1521 CG LYS A 95 14.016 -9.641 0.392 1.00 30.23 C ATOM 1522 CD LYS A 95 15.100 -10.440 1.098 1.00 3.11 C ATOM 1523 CE LYS A 95 15.493 -9.797 2.419 1.00 74.32 C ATOM 1524 NZ LYS A 95 15.565 -10.797 3.520 1.00 54.44 N ATOM 0 H LYS A 95 11.969 -8.893 2.800 1.00 34.55 H new ATOM 0 HA LYS A 95 11.838 -8.281 0.013 1.00 54.04 H new ATOM 0 HB2 LYS A 95 12.663 -10.584 1.754 1.00 13.41 H new ATOM 0 HB3 LYS A 95 12.336 -10.923 0.066 1.00 13.41 H new ATOM 0 HG2 LYS A 95 14.154 -9.713 -0.687 1.00 30.23 H new ATOM 0 HG3 LYS A 95 14.109 -8.587 0.656 1.00 30.23 H new ATOM 0 HD2 LYS A 95 14.747 -11.456 1.277 1.00 3.11 H new ATOM 0 HD3 LYS A 95 15.976 -10.516 0.454 1.00 3.11 H new ATOM 0 HE2 LYS A 95 16.460 -9.305 2.311 1.00 74.32 H new ATOM 0 HE3 LYS A 95 14.769 -9.024 2.677 1.00 74.32 H new ATOM 0 HZ1 LYS A 95 15.836 -10.321 4.404 1.00 54.44 H new ATOM 0 HZ2 LYS A 95 14.636 -11.248 3.640 1.00 54.44 H new ATOM 0 HZ3 LYS A 95 16.274 -11.521 3.286 1.00 54.44 H new ATOM 1538 N ASP A 96 9.641 -10.434 1.234 1.00 64.32 N ATOM 1539 CA ASP A 96 8.350 -11.061 0.975 1.00 4.15 C ATOM 1540 C ASP A 96 7.364 -10.762 2.100 1.00 4.10 C ATOM 1541 O ASP A 96 7.759 -10.546 3.246 1.00 33.44 O ATOM 1542 CB ASP A 96 8.516 -12.573 0.815 1.00 22.55 C ATOM 1543 CG ASP A 96 9.417 -13.173 1.877 1.00 0.44 C ATOM 1544 OD1 ASP A 96 9.476 -12.612 2.991 1.00 10.54 O ATOM 1545 OD2 ASP A 96 10.063 -14.202 1.593 1.00 14.22 O ATOM 0 H ASP A 96 10.050 -10.668 2.139 1.00 64.32 H new ATOM 0 HA ASP A 96 7.953 -10.646 0.048 1.00 4.15 H new ATOM 0 HB2 ASP A 96 7.537 -13.050 0.862 1.00 22.55 H new ATOM 0 HB3 ASP A 96 8.928 -12.788 -0.171 1.00 22.55 H new ATOM 1550 N THR A 97 6.078 -10.749 1.764 1.00 44.55 N ATOM 1551 CA THR A 97 5.035 -10.473 2.745 1.00 54.25 C ATOM 1552 C THR A 97 5.270 -11.256 4.032 1.00 24.11 C ATOM 1553 O THR A 97 5.099 -10.727 5.130 1.00 35.02 O ATOM 1554 CB THR A 97 3.639 -10.819 2.194 1.00 73.41 C ATOM 1555 OG1 THR A 97 3.322 -9.964 1.090 1.00 3.31 O ATOM 1556 CG2 THR A 97 2.579 -10.674 3.274 1.00 70.14 C ATOM 0 H THR A 97 5.734 -10.926 0.820 1.00 44.55 H new ATOM 0 HA THR A 97 5.078 -9.405 2.960 1.00 54.25 H new ATOM 0 HB THR A 97 3.653 -11.856 1.858 1.00 73.41 H new ATOM 0 HG1 THR A 97 2.687 -9.277 1.380 1.00 3.31 H new ATOM 0 HG21 THR A 97 1.602 -10.924 2.861 1.00 70.14 H new ATOM 0 HG22 THR A 97 2.807 -11.348 4.100 1.00 70.14 H new ATOM 0 HG23 THR A 97 2.568 -9.646 3.637 1.00 70.14 H new ATOM 1564 N GLU A 98 5.662 -12.518 3.887 1.00 72.23 N ATOM 1565 CA GLU A 98 5.920 -13.373 5.041 1.00 5.05 C ATOM 1566 C GLU A 98 6.896 -12.707 6.004 1.00 55.35 C ATOM 1567 O GLU A 98 6.627 -12.593 7.200 1.00 22.23 O ATOM 1568 CB GLU A 98 6.476 -14.725 4.587 1.00 24.02 C ATOM 1569 CG GLU A 98 5.439 -15.618 3.924 1.00 44.25 C ATOM 1570 CD GLU A 98 5.896 -17.058 3.813 1.00 74.42 C ATOM 1571 OE1 GLU A 98 7.113 -17.308 3.946 1.00 15.35 O ATOM 1572 OE2 GLU A 98 5.037 -17.938 3.595 1.00 60.14 O ATOM 0 H GLU A 98 5.808 -12.970 2.985 1.00 72.23 H new ATOM 0 HA GLU A 98 4.976 -13.532 5.561 1.00 5.05 H new ATOM 0 HB2 GLU A 98 7.296 -14.555 3.890 1.00 24.02 H new ATOM 0 HB3 GLU A 98 6.893 -15.245 5.449 1.00 24.02 H new ATOM 0 HG2 GLU A 98 4.512 -15.578 4.496 1.00 44.25 H new ATOM 0 HG3 GLU A 98 5.217 -15.233 2.929 1.00 44.25 H new ATOM 1579 N GLY A 99 8.035 -12.268 5.475 1.00 71.52 N ATOM 1580 CA GLY A 99 9.036 -11.620 6.302 1.00 42.43 C ATOM 1581 C GLY A 99 8.489 -10.410 7.034 1.00 20.24 C ATOM 1582 O GLY A 99 8.939 -10.084 8.131 1.00 73.20 O ATOM 0 H GLY A 99 8.282 -12.350 4.489 1.00 71.52 H new ATOM 0 HA2 GLY A 99 9.422 -12.336 7.028 1.00 42.43 H new ATOM 0 HA3 GLY A 99 9.876 -11.314 5.678 1.00 42.43 H new ATOM 1586 N ALA A 100 7.515 -9.743 6.423 1.00 14.42 N ATOM 1587 CA ALA A 100 6.906 -8.562 7.023 1.00 65.34 C ATOM 1588 C ALA A 100 6.139 -8.924 8.291 1.00 21.24 C ATOM 1589 O ALA A 100 6.204 -8.214 9.294 1.00 15.44 O ATOM 1590 CB ALA A 100 5.985 -7.877 6.024 1.00 64.33 C ATOM 0 H ALA A 100 7.131 -10.000 5.514 1.00 14.42 H new ATOM 0 HA ALA A 100 7.704 -7.872 7.297 1.00 65.34 H new ATOM 0 HB1 ALA A 100 5.537 -6.997 6.486 1.00 64.33 H new ATOM 0 HB2 ALA A 100 6.559 -7.575 5.148 1.00 64.33 H new ATOM 0 HB3 ALA A 100 5.198 -8.568 5.722 1.00 64.33 H new ATOM 1596 N LYS A 101 5.411 -10.034 8.239 1.00 65.51 N ATOM 1597 CA LYS A 101 4.630 -10.493 9.383 1.00 13.33 C ATOM 1598 C LYS A 101 5.542 -10.879 10.543 1.00 24.11 C ATOM 1599 O LYS A 101 5.145 -10.808 11.705 1.00 63.23 O ATOM 1600 CB LYS A 101 3.758 -11.686 8.986 1.00 53.01 C ATOM 1601 CG LYS A 101 2.341 -11.609 9.526 1.00 1.24 C ATOM 1602 CD LYS A 101 1.807 -12.984 9.890 1.00 55.54 C ATOM 1603 CE LYS A 101 0.518 -12.887 10.692 1.00 74.25 C ATOM 1604 NZ LYS A 101 0.301 -14.092 11.540 1.00 13.32 N ATOM 0 H LYS A 101 5.345 -10.633 7.416 1.00 65.51 H new ATOM 0 HA LYS A 101 3.988 -9.674 9.706 1.00 13.33 H new ATOM 0 HB2 LYS A 101 3.721 -11.752 7.899 1.00 53.01 H new ATOM 0 HB3 LYS A 101 4.226 -12.603 9.345 1.00 53.01 H new ATOM 0 HG2 LYS A 101 2.320 -10.965 10.405 1.00 1.24 H new ATOM 0 HG3 LYS A 101 1.691 -11.151 8.780 1.00 1.24 H new ATOM 0 HD2 LYS A 101 1.629 -13.559 8.981 1.00 55.54 H new ATOM 0 HD3 LYS A 101 2.556 -13.525 10.468 1.00 55.54 H new ATOM 0 HE2 LYS A 101 0.549 -11.999 11.324 1.00 74.25 H new ATOM 0 HE3 LYS A 101 -0.325 -12.765 10.012 1.00 74.25 H new ATOM 0 HZ1 LYS A 101 -0.587 -13.988 12.071 1.00 13.32 H new ATOM 0 HZ2 LYS A 101 0.246 -14.937 10.936 1.00 13.32 H new ATOM 0 HZ3 LYS A 101 1.093 -14.194 12.207 1.00 13.32 H new ATOM 1618 N GLN A 102 6.765 -11.287 10.218 1.00 62.33 N ATOM 1619 CA GLN A 102 7.732 -11.683 11.235 1.00 73.32 C ATOM 1620 C GLN A 102 8.325 -10.462 11.928 1.00 53.15 C ATOM 1621 O GLN A 102 8.519 -10.459 13.144 1.00 12.24 O ATOM 1622 CB GLN A 102 8.848 -12.521 10.609 1.00 22.34 C ATOM 1623 CG GLN A 102 9.730 -13.222 11.629 1.00 51.54 C ATOM 1624 CD GLN A 102 11.136 -13.465 11.116 1.00 63.50 C ATOM 1625 OE1 GLN A 102 11.590 -12.807 10.181 1.00 75.22 O ATOM 1626 NE2 GLN A 102 11.832 -14.416 11.727 1.00 74.24 N ATOM 0 H GLN A 102 7.109 -11.352 9.260 1.00 62.33 H new ATOM 0 HA GLN A 102 7.211 -12.283 11.981 1.00 73.32 H new ATOM 0 HB2 GLN A 102 8.404 -13.268 9.951 1.00 22.34 H new ATOM 0 HB3 GLN A 102 9.469 -11.877 9.987 1.00 22.34 H new ATOM 0 HG2 GLN A 102 9.777 -12.621 12.537 1.00 51.54 H new ATOM 0 HG3 GLN A 102 9.277 -14.175 11.901 1.00 51.54 H new ATOM 0 HE21 GLN A 102 11.415 -14.937 12.499 1.00 74.24 H new ATOM 0 HE22 GLN A 102 12.783 -14.626 11.425 1.00 74.24 H new ATOM 1635 N ILE A 103 8.613 -9.426 11.147 1.00 63.21 N ATOM 1636 CA ILE A 103 9.184 -8.198 11.686 1.00 44.12 C ATOM 1637 C ILE A 103 8.157 -7.432 12.515 1.00 34.44 C ATOM 1638 O ILE A 103 8.447 -6.986 13.625 1.00 33.12 O ATOM 1639 CB ILE A 103 9.709 -7.281 10.566 1.00 70.32 C ATOM 1640 CG1 ILE A 103 10.822 -7.983 9.784 1.00 43.15 C ATOM 1641 CG2 ILE A 103 10.208 -5.967 11.147 1.00 34.25 C ATOM 1642 CD1 ILE A 103 11.332 -7.180 8.608 1.00 75.41 C ATOM 0 H ILE A 103 8.460 -9.413 10.139 1.00 63.21 H new ATOM 0 HA ILE A 103 10.018 -8.492 12.324 1.00 44.12 H new ATOM 0 HB ILE A 103 8.890 -7.063 9.880 1.00 70.32 H new ATOM 0 HG12 ILE A 103 11.652 -8.192 10.458 1.00 43.15 H new ATOM 0 HG13 ILE A 103 10.453 -8.944 9.425 1.00 43.15 H new ATOM 0 HG21 ILE A 103 10.576 -5.330 10.343 1.00 34.25 H new ATOM 0 HG22 ILE A 103 9.391 -5.464 11.664 1.00 34.25 H new ATOM 0 HG23 ILE A 103 11.016 -6.164 11.852 1.00 34.25 H new ATOM 0 HD11 ILE A 103 12.119 -7.738 8.100 1.00 75.41 H new ATOM 0 HD12 ILE A 103 10.513 -6.993 7.913 1.00 75.41 H new ATOM 0 HD13 ILE A 103 11.732 -6.230 8.962 1.00 75.41 H new ATOM 1654 N VAL A 104 6.954 -7.284 11.967 1.00 13.34 N ATOM 1655 CA VAL A 104 5.883 -6.575 12.656 1.00 40.14 C ATOM 1656 C VAL A 104 5.470 -7.305 13.929 1.00 32.13 C ATOM 1657 O VAL A 104 5.318 -6.693 14.986 1.00 24.41 O ATOM 1658 CB VAL A 104 4.649 -6.406 11.750 1.00 43.30 C ATOM 1659 CG1 VAL A 104 3.513 -5.740 12.513 1.00 13.12 C ATOM 1660 CG2 VAL A 104 5.007 -5.606 10.507 1.00 11.11 C ATOM 0 H VAL A 104 6.698 -7.646 11.048 1.00 13.34 H new ATOM 0 HA VAL A 104 6.271 -5.590 12.916 1.00 40.14 H new ATOM 0 HB VAL A 104 4.313 -7.394 11.435 1.00 43.30 H new ATOM 0 HG11 VAL A 104 2.650 -5.629 11.857 1.00 13.12 H new ATOM 0 HG12 VAL A 104 3.240 -6.356 13.370 1.00 13.12 H new ATOM 0 HG13 VAL A 104 3.834 -4.758 12.859 1.00 13.12 H new ATOM 0 HG21 VAL A 104 4.124 -5.496 9.878 1.00 11.11 H new ATOM 0 HG22 VAL A 104 5.369 -4.620 10.800 1.00 11.11 H new ATOM 0 HG23 VAL A 104 5.786 -6.127 9.951 1.00 11.11 H new ATOM 1670 N ARG A 105 5.289 -8.617 13.818 1.00 53.33 N ATOM 1671 CA ARG A 105 4.893 -9.433 14.961 1.00 1.52 C ATOM 1672 C ARG A 105 5.818 -9.188 16.149 1.00 62.43 C ATOM 1673 O ARG A 105 5.359 -8.946 17.266 1.00 43.31 O ATOM 1674 CB ARG A 105 4.906 -10.915 14.586 1.00 30.33 C ATOM 1675 CG ARG A 105 4.662 -11.844 15.763 1.00 52.23 C ATOM 1676 CD ARG A 105 4.163 -13.205 15.305 1.00 74.23 C ATOM 1677 NE ARG A 105 4.994 -14.293 15.817 1.00 4.33 N ATOM 1678 CZ ARG A 105 4.596 -15.559 15.871 1.00 13.05 C ATOM 1679 NH1 ARG A 105 3.386 -15.895 15.446 1.00 1.14 N ATOM 1680 NH2 ARG A 105 5.409 -16.491 16.349 1.00 20.42 N ATOM 0 H ARG A 105 5.410 -9.138 12.949 1.00 53.33 H new ATOM 0 HA ARG A 105 3.880 -9.148 15.246 1.00 1.52 H new ATOM 0 HB2 ARG A 105 4.144 -11.096 13.828 1.00 30.33 H new ATOM 0 HB3 ARG A 105 5.868 -11.158 14.135 1.00 30.33 H new ATOM 0 HG2 ARG A 105 5.585 -11.966 16.329 1.00 52.23 H new ATOM 0 HG3 ARG A 105 3.932 -11.395 16.437 1.00 52.23 H new ATOM 0 HD2 ARG A 105 3.135 -13.346 15.639 1.00 74.23 H new ATOM 0 HD3 ARG A 105 4.151 -13.239 14.216 1.00 74.23 H new ATOM 0 HE ARG A 105 5.931 -14.068 16.151 1.00 4.33 H new ATOM 0 HH11 ARG A 105 2.759 -15.181 15.077 1.00 1.14 H new ATOM 0 HH12 ARG A 105 3.082 -16.868 15.488 1.00 1.14 H new ATOM 0 HH21 ARG A 105 6.341 -16.236 16.676 1.00 20.42 H new ATOM 0 HH22 ARG A 105 5.102 -17.463 16.390 1.00 20.42 H new ATOM 1694 N ARG A 106 7.121 -9.256 15.902 1.00 73.41 N ATOM 1695 CA ARG A 106 8.110 -9.045 16.952 1.00 71.43 C ATOM 1696 C ARG A 106 7.902 -7.697 17.633 1.00 43.44 C ATOM 1697 O ARG A 106 8.209 -7.530 18.814 1.00 23.05 O ATOM 1698 CB ARG A 106 9.524 -9.124 16.374 1.00 13.34 C ATOM 1699 CG ARG A 106 10.591 -9.429 17.412 1.00 34.42 C ATOM 1700 CD ARG A 106 11.607 -10.434 16.889 1.00 4.31 C ATOM 1701 NE ARG A 106 11.354 -11.780 17.396 1.00 20.54 N ATOM 1702 CZ ARG A 106 12.198 -12.794 17.238 1.00 71.44 C ATOM 1703 NH1 ARG A 106 13.342 -12.615 16.593 1.00 63.01 N ATOM 1704 NH2 ARG A 106 11.897 -13.991 17.727 1.00 15.20 N ATOM 0 H ARG A 106 7.517 -9.456 14.984 1.00 73.41 H new ATOM 0 HA ARG A 106 7.985 -9.831 17.697 1.00 71.43 H new ATOM 0 HB2 ARG A 106 9.549 -9.894 15.603 1.00 13.34 H new ATOM 0 HB3 ARG A 106 9.762 -8.178 15.888 1.00 13.34 H new ATOM 0 HG2 ARG A 106 11.101 -8.507 17.693 1.00 34.42 H new ATOM 0 HG3 ARG A 106 10.121 -9.821 18.314 1.00 34.42 H new ATOM 0 HD2 ARG A 106 11.578 -10.445 15.799 1.00 4.31 H new ATOM 0 HD3 ARG A 106 12.610 -10.120 17.178 1.00 4.31 H new ATOM 0 HE ARG A 106 10.483 -11.951 17.898 1.00 20.54 H new ATOM 0 HH11 ARG A 106 13.577 -11.697 16.216 1.00 63.01 H new ATOM 0 HH12 ARG A 106 13.988 -13.396 16.474 1.00 63.01 H new ATOM 0 HH21 ARG A 106 11.018 -14.132 18.224 1.00 15.20 H new ATOM 0 HH22 ARG A 106 12.545 -14.769 17.606 1.00 15.20 H new ATOM 1718 N HIS A 107 7.377 -6.735 16.880 1.00 2.31 N ATOM 1719 CA HIS A 107 7.127 -5.398 17.409 1.00 65.24 C ATOM 1720 C HIS A 107 5.822 -5.365 18.201 1.00 73.23 C ATOM 1721 O HIS A 107 5.748 -4.568 19.137 1.00 40.11 O ATOM 1722 CB HIS A 107 7.072 -4.377 16.273 1.00 14.23 C ATOM 1723 CG HIS A 107 8.407 -4.108 15.646 1.00 62.13 C ATOM 1724 ND1 HIS A 107 9.539 -3.824 16.380 1.00 2.41 N ATOM 1725 CD2 HIS A 107 8.786 -4.081 14.347 1.00 65.23 C ATOM 1726 CE1 HIS A 107 10.556 -3.634 15.559 1.00 11.21 C ATOM 1727 NE2 HIS A 107 10.125 -3.784 14.319 1.00 64.44 N ATOM 0 H HIS A 107 7.116 -6.856 15.901 1.00 2.31 H new ATOM 0 HA HIS A 107 7.947 -5.140 18.079 1.00 65.24 H new ATOM 0 HB2 HIS A 107 6.385 -4.735 15.506 1.00 14.23 H new ATOM 0 HB3 HIS A 107 6.664 -3.441 16.655 1.00 14.23 H new ATOM 0 HD2 HIS A 107 8.152 -4.260 13.491 1.00 65.23 H new ATOM 0 HE1 HIS A 107 11.568 -3.396 15.852 1.00 11.21 H new ATOM 0 HE2 HIS A 107 10.695 -3.694 13.478 1.00 64.44 H new ATOM 1735 N LEU A 108 4.827 -6.179 17.864 1.00 12.20 N ATOM 1736 CA LEU A 108 3.562 -6.183 18.590 1.00 41.14 C ATOM 1737 C LEU A 108 3.669 -7.013 19.865 1.00 21.51 C ATOM 1738 O LEU A 108 3.244 -6.582 20.937 1.00 4.41 O ATOM 1739 CB LEU A 108 2.443 -6.732 17.703 1.00 13.32 C ATOM 1740 CG LEU A 108 2.066 -5.876 16.493 1.00 44.24 C ATOM 1741 CD1 LEU A 108 1.157 -6.652 15.554 1.00 5.03 C ATOM 1742 CD2 LEU A 108 1.395 -4.584 16.942 1.00 35.45 C ATOM 0 H LEU A 108 4.872 -6.845 17.092 1.00 12.20 H new ATOM 0 HA LEU A 108 3.327 -5.155 18.866 1.00 41.14 H new ATOM 0 HB2 LEU A 108 2.740 -7.719 17.347 1.00 13.32 H new ATOM 0 HB3 LEU A 108 1.553 -6.869 18.318 1.00 13.32 H new ATOM 0 HG LEU A 108 2.978 -5.620 15.954 1.00 44.24 H new ATOM 0 HD11 LEU A 108 0.899 -6.027 14.699 1.00 5.03 H new ATOM 0 HD12 LEU A 108 1.672 -7.548 15.207 1.00 5.03 H new ATOM 0 HD13 LEU A 108 0.247 -6.938 16.082 1.00 5.03 H new ATOM 0 HD21 LEU A 108 1.133 -3.987 16.068 1.00 35.45 H new ATOM 0 HD22 LEU A 108 0.491 -4.820 17.504 1.00 35.45 H new ATOM 0 HD23 LEU A 108 2.079 -4.020 17.575 1.00 35.45 H new