USER MOD reduce.3.24.130724 H: found=0, std=0, add=210, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 213 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 258 THR OG1 : rot 64:sc= 1.32 USER MOD Single : A 259 THR OG1 : rot -78:sc= 0.914 USER MOD Single : A 262 THR OG1 : rot 87:sc= 1.32 USER MOD Single : A 263 MET CE :methyl 149:sc= -0.205 (180deg=-1.13) USER MOD Single : A 264 THR OG1 : rot 180:sc= 0 USER MOD Single : A 265 THR OG1 : rot -137:sc= 0.423 USER MOD Single : A 266 GLN : amide:sc= 1.2 K(o=1.2,f=-0.066) USER MOD Single : A 267 SER OG : rot 180:sc= 0 USER MOD Single : A 268 SER OG : rot -149:sc= 1.26 USER MOD Single : A 270 SER OG : rot 180:sc= 0 USER MOD Single : A 273 SER OG : rot 180:sc= 0 USER MOD Single : A 276 LYS NZ :NH3+ 137:sc= -1.46! (180deg=-4.59!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 249 1.028 -12.240 -10.406 1.00 1.89 N ATOM 2 CA ALA A 249 1.678 -10.906 -10.514 1.00 1.98 C ATOM 3 C ALA A 249 1.362 -10.048 -9.290 1.00 1.58 C ATOM 4 O ALA A 249 0.329 -10.236 -8.646 1.00 1.21 O ATOM 5 CB ALA A 249 1.240 -10.200 -11.790 1.00 2.17 C ATOM 0 HA ALA A 249 2.757 -11.055 -10.555 1.00 1.98 H new ATOM 0 HB1 ALA A 249 1.725 -9.226 -11.852 1.00 2.17 H new ATOM 0 HB2 ALA A 249 1.522 -10.802 -12.654 1.00 2.17 H new ATOM 0 HB3 ALA A 249 0.158 -10.066 -11.779 1.00 2.17 H new ATOM 13 N PRO A 250 2.256 -9.102 -8.947 1.00 1.75 N ATOM 14 CA PRO A 250 2.100 -8.205 -7.789 1.00 1.53 C ATOM 15 C PRO A 250 0.998 -7.150 -7.972 1.00 1.04 C ATOM 16 O PRO A 250 1.256 -5.949 -7.864 1.00 1.05 O ATOM 17 CB PRO A 250 3.473 -7.515 -7.694 1.00 1.99 C ATOM 18 CG PRO A 250 4.378 -8.321 -8.551 1.00 2.47 C ATOM 19 CD PRO A 250 3.510 -8.827 -9.650 1.00 2.29 C ATOM 0 HA PRO A 250 1.804 -8.760 -6.899 1.00 1.53 H new ATOM 0 HB2 PRO A 250 3.419 -6.483 -8.041 1.00 1.99 H new ATOM 0 HB3 PRO A 250 3.829 -7.487 -6.664 1.00 1.99 H new ATOM 0 HG2 PRO A 250 5.197 -7.716 -8.940 1.00 2.47 H new ATOM 0 HG3 PRO A 250 4.826 -9.142 -7.991 1.00 2.47 H new ATOM 0 HD2 PRO A 250 3.381 -8.088 -10.441 1.00 2.29 H new ATOM 0 HD3 PRO A 250 3.922 -9.723 -10.115 1.00 2.29 H new ATOM 27 N ALA A 251 -0.228 -7.600 -8.250 1.00 0.75 N ATOM 28 CA ALA A 251 -1.359 -6.689 -8.448 1.00 0.73 C ATOM 29 C ALA A 251 -1.587 -5.808 -7.218 1.00 0.65 C ATOM 30 O ALA A 251 -1.741 -4.592 -7.334 1.00 0.72 O ATOM 31 CB ALA A 251 -2.622 -7.473 -8.780 1.00 1.05 C ATOM 0 H ALA A 251 -0.463 -8.588 -8.343 1.00 0.75 H new ATOM 0 HA ALA A 251 -1.119 -6.037 -9.287 1.00 0.73 H new ATOM 0 HB1 ALA A 251 -3.452 -6.782 -8.924 1.00 1.05 H new ATOM 0 HB2 ALA A 251 -2.465 -8.046 -9.694 1.00 1.05 H new ATOM 0 HB3 ALA A 251 -2.854 -8.153 -7.960 1.00 1.05 H new ATOM 37 N ARG A 252 -1.584 -6.425 -6.035 1.00 0.90 N ATOM 38 CA ARG A 252 -1.769 -5.688 -4.787 1.00 1.28 C ATOM 39 C ARG A 252 -0.606 -4.722 -4.551 1.00 1.12 C ATOM 40 O ARG A 252 -0.815 -3.566 -4.191 1.00 1.14 O ATOM 41 CB ARG A 252 -1.919 -6.656 -3.598 1.00 1.87 C ATOM 42 CG ARG A 252 -1.853 -5.984 -2.226 1.00 2.35 C ATOM 43 CD ARG A 252 -2.707 -4.727 -2.170 1.00 2.40 C ATOM 44 NE ARG A 252 -2.479 -3.950 -0.954 1.00 2.83 N ATOM 45 CZ ARG A 252 -2.880 -2.706 -0.799 1.00 2.95 C ATOM 46 NH1 ARG A 252 -3.511 -2.089 -1.764 1.00 2.76 N ATOM 47 NH2 ARG A 252 -2.638 -2.072 0.318 1.00 3.35 N ATOM 0 H ARG A 252 -1.456 -7.430 -5.917 1.00 0.90 H new ATOM 0 HA ARG A 252 -2.686 -5.105 -4.871 1.00 1.28 H new ATOM 0 HB2 ARG A 252 -2.871 -7.178 -3.688 1.00 1.87 H new ATOM 0 HB3 ARG A 252 -1.135 -7.411 -3.658 1.00 1.87 H new ATOM 0 HG2 ARG A 252 -2.188 -6.685 -1.462 1.00 2.35 H new ATOM 0 HG3 ARG A 252 -0.818 -5.731 -1.995 1.00 2.35 H new ATOM 0 HD2 ARG A 252 -2.492 -4.106 -3.040 1.00 2.40 H new ATOM 0 HD3 ARG A 252 -3.760 -5.004 -2.229 1.00 2.40 H new ATOM 0 HE ARG A 252 -1.982 -4.396 -0.183 1.00 2.83 H new ATOM 0 HH11 ARG A 252 -3.695 -2.572 -2.643 1.00 2.76 H new ATOM 0 HH12 ARG A 252 -3.819 -1.125 -1.637 1.00 2.76 H new ATOM 0 HH21 ARG A 252 -2.137 -2.541 1.073 1.00 3.35 H new ATOM 0 HH22 ARG A 252 -2.950 -1.108 0.435 1.00 3.35 H new ATOM 61 N VAL A 253 0.611 -5.197 -4.761 1.00 1.19 N ATOM 62 CA VAL A 253 1.798 -4.365 -4.572 1.00 1.43 C ATOM 63 C VAL A 253 1.765 -3.148 -5.499 1.00 1.07 C ATOM 64 O VAL A 253 1.971 -2.016 -5.057 1.00 1.11 O ATOM 65 CB VAL A 253 3.088 -5.174 -4.800 1.00 1.89 C ATOM 66 CG1 VAL A 253 4.313 -4.342 -4.452 1.00 2.33 C ATOM 67 CG2 VAL A 253 3.047 -6.458 -3.982 1.00 2.23 C ATOM 0 H VAL A 253 0.807 -6.152 -5.062 1.00 1.19 H new ATOM 0 HA VAL A 253 1.793 -4.015 -3.540 1.00 1.43 H new ATOM 0 HB VAL A 253 3.157 -5.439 -5.855 1.00 1.89 H new ATOM 0 HG11 VAL A 253 5.214 -4.932 -4.620 1.00 2.33 H new ATOM 0 HG12 VAL A 253 4.339 -3.452 -5.081 1.00 2.33 H new ATOM 0 HG13 VAL A 253 4.265 -4.044 -3.405 1.00 2.33 H new ATOM 0 HG21 VAL A 253 3.963 -7.025 -4.149 1.00 2.23 H new ATOM 0 HG22 VAL A 253 2.960 -6.213 -2.924 1.00 2.23 H new ATOM 0 HG23 VAL A 253 2.189 -7.057 -4.288 1.00 2.23 H new ATOM 77 N GLY A 254 1.471 -3.387 -6.777 1.00 0.90 N ATOM 78 CA GLY A 254 1.379 -2.299 -7.741 1.00 1.00 C ATOM 79 C GLY A 254 0.285 -1.307 -7.373 1.00 0.65 C ATOM 80 O GLY A 254 0.519 -0.097 -7.324 1.00 0.78 O ATOM 0 H GLY A 254 1.295 -4.315 -7.162 1.00 0.90 H new ATOM 0 HA2 GLY A 254 2.336 -1.780 -7.796 1.00 1.00 H new ATOM 0 HA3 GLY A 254 1.181 -2.707 -8.732 1.00 1.00 H new ATOM 84 N LEU A 255 -0.909 -1.826 -7.081 1.00 0.51 N ATOM 85 CA LEU A 255 -2.040 -0.988 -6.682 1.00 0.85 C ATOM 86 C LEU A 255 -1.715 -0.231 -5.392 1.00 0.71 C ATOM 87 O LEU A 255 -2.054 0.942 -5.238 1.00 0.85 O ATOM 88 CB LEU A 255 -3.286 -1.839 -6.485 1.00 1.30 C ATOM 89 CG LEU A 255 -4.582 -1.041 -6.478 1.00 1.86 C ATOM 90 CD1 LEU A 255 -4.819 -0.401 -7.841 1.00 2.13 C ATOM 91 CD2 LEU A 255 -5.750 -1.926 -6.082 1.00 2.34 C ATOM 0 H LEU A 255 -1.117 -2.824 -7.114 1.00 0.51 H new ATOM 0 HA LEU A 255 -2.229 -0.265 -7.475 1.00 0.85 H new ATOM 0 HB2 LEU A 255 -3.334 -2.585 -7.278 1.00 1.30 H new ATOM 0 HB3 LEU A 255 -3.199 -2.381 -5.543 1.00 1.30 H new ATOM 0 HG LEU A 255 -4.497 -0.244 -5.739 1.00 1.86 H new ATOM 0 HD11 LEU A 255 -5.750 0.166 -7.820 1.00 2.13 H new ATOM 0 HD12 LEU A 255 -3.992 0.268 -8.078 1.00 2.13 H new ATOM 0 HD13 LEU A 255 -4.885 -1.179 -8.602 1.00 2.13 H new ATOM 0 HD21 LEU A 255 -6.668 -1.339 -6.082 1.00 2.34 H new ATOM 0 HD22 LEU A 255 -5.843 -2.746 -6.794 1.00 2.34 H new ATOM 0 HD23 LEU A 255 -5.578 -2.330 -5.084 1.00 2.34 H new ATOM 103 N GLY A 256 -1.040 -0.917 -4.472 1.00 0.78 N ATOM 104 CA GLY A 256 -0.658 -0.313 -3.210 1.00 1.13 C ATOM 105 C GLY A 256 0.299 0.853 -3.381 1.00 0.92 C ATOM 106 O GLY A 256 0.024 1.951 -2.904 1.00 0.97 O ATOM 0 H GLY A 256 -0.750 -1.889 -4.582 1.00 0.78 H new ATOM 0 HA2 GLY A 256 -1.553 0.031 -2.691 1.00 1.13 H new ATOM 0 HA3 GLY A 256 -0.193 -1.069 -2.577 1.00 1.13 H new ATOM 110 N ILE A 257 1.417 0.634 -4.070 1.00 0.91 N ATOM 111 CA ILE A 257 2.383 1.712 -4.286 1.00 1.10 C ATOM 112 C ILE A 257 1.768 2.845 -5.117 1.00 0.75 C ATOM 113 O ILE A 257 2.050 4.018 -4.878 1.00 0.83 O ATOM 114 CB ILE A 257 3.706 1.209 -4.927 1.00 1.60 C ATOM 115 CG1 ILE A 257 3.476 0.536 -6.286 1.00 1.55 C ATOM 116 CG2 ILE A 257 4.413 0.250 -3.982 1.00 2.03 C ATOM 117 CD1 ILE A 257 3.698 1.451 -7.472 1.00 1.81 C ATOM 0 H ILE A 257 1.675 -0.263 -4.482 1.00 0.91 H new ATOM 0 HA ILE A 257 2.639 2.104 -3.302 1.00 1.10 H new ATOM 0 HB ILE A 257 4.335 2.083 -5.100 1.00 1.60 H new ATOM 0 HG12 ILE A 257 4.143 -0.322 -6.372 1.00 1.55 H new ATOM 0 HG13 ILE A 257 2.456 0.152 -6.322 1.00 1.55 H new ATOM 0 HG21 ILE A 257 5.339 -0.097 -4.441 1.00 2.03 H new ATOM 0 HG22 ILE A 257 4.641 0.762 -3.047 1.00 2.03 H new ATOM 0 HG23 ILE A 257 3.767 -0.604 -3.780 1.00 2.03 H new ATOM 0 HD11 ILE A 257 3.516 0.901 -8.395 1.00 1.81 H new ATOM 0 HD12 ILE A 257 3.013 2.297 -7.412 1.00 1.81 H new ATOM 0 HD13 ILE A 257 4.725 1.815 -7.463 1.00 1.81 H new ATOM 129 N THR A 258 0.907 2.487 -6.075 1.00 0.60 N ATOM 130 CA THR A 258 0.237 3.478 -6.923 1.00 0.89 C ATOM 131 C THR A 258 -0.690 4.375 -6.097 1.00 0.77 C ATOM 132 O THR A 258 -0.657 5.601 -6.221 1.00 0.94 O ATOM 133 CB THR A 258 -0.594 2.805 -8.036 1.00 1.28 C ATOM 134 OG1 THR A 258 0.246 1.965 -8.837 1.00 1.50 O ATOM 135 CG2 THR A 258 -1.267 3.841 -8.926 1.00 1.79 C ATOM 0 H THR A 258 0.658 1.520 -6.282 1.00 0.60 H new ATOM 0 HA THR A 258 1.023 4.081 -7.377 1.00 0.89 H new ATOM 0 HB THR A 258 -1.367 2.204 -7.557 1.00 1.28 H new ATOM 0 HG1 THR A 258 0.595 1.233 -8.288 1.00 1.50 H new ATOM 0 HG21 THR A 258 -1.845 3.336 -9.700 1.00 1.79 H new ATOM 0 HG22 THR A 258 -1.931 4.461 -8.324 1.00 1.79 H new ATOM 0 HG23 THR A 258 -0.508 4.469 -9.392 1.00 1.79 H new ATOM 143 N THR A 259 -1.508 3.757 -5.247 1.00 0.78 N ATOM 144 CA THR A 259 -2.433 4.507 -4.398 1.00 1.16 C ATOM 145 C THR A 259 -1.675 5.352 -3.385 1.00 0.97 C ATOM 146 O THR A 259 -1.968 6.534 -3.211 1.00 1.13 O ATOM 147 CB THR A 259 -3.425 3.582 -3.662 1.00 1.61 C ATOM 148 OG1 THR A 259 -2.727 2.521 -2.999 1.00 1.50 O ATOM 149 CG2 THR A 259 -4.437 3.003 -4.638 1.00 1.94 C ATOM 0 H THR A 259 -1.550 2.745 -5.128 1.00 0.78 H new ATOM 0 HA THR A 259 -3.005 5.160 -5.057 1.00 1.16 H new ATOM 0 HB THR A 259 -3.953 4.176 -2.916 1.00 1.61 H new ATOM 0 HG1 THR A 259 -2.476 1.836 -3.653 1.00 1.50 H new ATOM 0 HG21 THR A 259 -5.129 2.353 -4.102 1.00 1.94 H new ATOM 0 HG22 THR A 259 -4.992 3.814 -5.110 1.00 1.94 H new ATOM 0 HG23 THR A 259 -3.916 2.427 -5.403 1.00 1.94 H new ATOM 157 N VAL A 260 -0.680 4.749 -2.735 1.00 0.86 N ATOM 158 CA VAL A 260 0.135 5.468 -1.762 1.00 1.06 C ATOM 159 C VAL A 260 0.839 6.660 -2.422 1.00 0.74 C ATOM 160 O VAL A 260 0.785 7.774 -1.903 1.00 0.84 O ATOM 161 CB VAL A 260 1.173 4.540 -1.096 1.00 1.44 C ATOM 162 CG1 VAL A 260 2.134 5.334 -0.222 1.00 1.85 C ATOM 163 CG2 VAL A 260 0.468 3.471 -0.273 1.00 1.82 C ATOM 0 H VAL A 260 -0.422 3.771 -2.865 1.00 0.86 H new ATOM 0 HA VAL A 260 -0.534 5.838 -0.985 1.00 1.06 H new ATOM 0 HB VAL A 260 1.753 4.056 -1.882 1.00 1.44 H new ATOM 0 HG11 VAL A 260 2.855 4.656 0.235 1.00 1.85 H new ATOM 0 HG12 VAL A 260 2.662 6.066 -0.833 1.00 1.85 H new ATOM 0 HG13 VAL A 260 1.575 5.849 0.559 1.00 1.85 H new ATOM 0 HG21 VAL A 260 1.210 2.822 0.192 1.00 1.82 H new ATOM 0 HG22 VAL A 260 -0.135 3.946 0.501 1.00 1.82 H new ATOM 0 HG23 VAL A 260 -0.177 2.878 -0.922 1.00 1.82 H new ATOM 173 N LEU A 261 1.466 6.430 -3.584 1.00 0.60 N ATOM 174 CA LEU A 261 2.143 7.502 -4.318 1.00 0.82 C ATOM 175 C LEU A 261 1.147 8.604 -4.686 1.00 0.72 C ATOM 176 O LEU A 261 1.420 9.787 -4.497 1.00 0.83 O ATOM 177 CB LEU A 261 2.808 6.959 -5.582 1.00 1.24 C ATOM 178 CG LEU A 261 3.684 7.967 -6.327 1.00 1.75 C ATOM 179 CD1 LEU A 261 4.724 8.565 -5.388 1.00 1.96 C ATOM 180 CD2 LEU A 261 4.359 7.303 -7.514 1.00 2.23 C ATOM 0 H LEU A 261 1.517 5.515 -4.032 1.00 0.60 H new ATOM 0 HA LEU A 261 2.915 7.920 -3.672 1.00 0.82 H new ATOM 0 HB2 LEU A 261 3.418 6.097 -5.313 1.00 1.24 H new ATOM 0 HB3 LEU A 261 2.032 6.602 -6.259 1.00 1.24 H new ATOM 0 HG LEU A 261 3.049 8.773 -6.695 1.00 1.75 H new ATOM 0 HD11 LEU A 261 5.339 9.280 -5.934 1.00 1.96 H new ATOM 0 HD12 LEU A 261 4.222 9.073 -4.565 1.00 1.96 H new ATOM 0 HD13 LEU A 261 5.357 7.770 -4.992 1.00 1.96 H new ATOM 0 HD21 LEU A 261 4.979 8.033 -8.035 1.00 2.23 H new ATOM 0 HD22 LEU A 261 4.983 6.480 -7.165 1.00 2.23 H new ATOM 0 HD23 LEU A 261 3.600 6.919 -8.196 1.00 2.23 H new ATOM 192 N THR A 262 -0.016 8.199 -5.189 1.00 0.83 N ATOM 193 CA THR A 262 -1.074 9.141 -5.565 1.00 1.26 C ATOM 194 C THR A 262 -1.539 9.967 -4.360 1.00 1.21 C ATOM 195 O THR A 262 -1.693 11.185 -4.441 1.00 1.40 O ATOM 196 CB THR A 262 -2.287 8.394 -6.156 1.00 1.65 C ATOM 197 OG1 THR A 262 -1.900 7.684 -7.339 1.00 1.80 O ATOM 198 CG2 THR A 262 -3.420 9.353 -6.482 1.00 2.17 C ATOM 0 H THR A 262 -0.253 7.220 -5.347 1.00 0.83 H new ATOM 0 HA THR A 262 -0.655 9.811 -6.316 1.00 1.26 H new ATOM 0 HB THR A 262 -2.642 7.687 -5.406 1.00 1.65 H new ATOM 0 HG1 THR A 262 -1.561 6.798 -7.093 1.00 1.80 H new ATOM 0 HG21 THR A 262 -4.260 8.796 -6.897 1.00 2.17 H new ATOM 0 HG22 THR A 262 -3.737 9.864 -5.573 1.00 2.17 H new ATOM 0 HG23 THR A 262 -3.077 10.088 -7.210 1.00 2.17 H new ATOM 206 N MET A 263 -1.765 9.285 -3.248 1.00 1.15 N ATOM 207 CA MET A 263 -2.216 9.927 -2.013 1.00 1.42 C ATOM 208 C MET A 263 -1.142 10.844 -1.408 1.00 1.19 C ATOM 209 O MET A 263 -1.451 11.939 -0.940 1.00 1.40 O ATOM 210 CB MET A 263 -2.620 8.854 -0.998 1.00 1.73 C ATOM 211 CG MET A 263 -3.049 9.402 0.353 1.00 2.19 C ATOM 212 SD MET A 263 -3.368 8.098 1.555 1.00 2.72 S ATOM 213 CE MET A 263 -1.752 7.332 1.660 1.00 2.53 C ATOM 0 H MET A 263 -1.643 8.275 -3.171 1.00 1.15 H new ATOM 0 HA MET A 263 -3.074 10.553 -2.258 1.00 1.42 H new ATOM 0 HB2 MET A 263 -3.437 8.266 -1.415 1.00 1.73 H new ATOM 0 HB3 MET A 263 -1.780 8.174 -0.852 1.00 1.73 H new ATOM 0 HG2 MET A 263 -2.272 10.064 0.737 1.00 2.19 H new ATOM 0 HG3 MET A 263 -3.948 10.005 0.228 1.00 2.19 H new ATOM 0 HE1 MET A 263 -1.604 6.930 2.662 1.00 2.53 H new ATOM 0 HE2 MET A 263 -1.684 6.524 0.931 1.00 2.53 H new ATOM 0 HE3 MET A 263 -0.983 8.075 1.451 1.00 2.53 H new ATOM 223 N THR A 264 0.112 10.389 -1.393 1.00 0.90 N ATOM 224 CA THR A 264 1.201 11.187 -0.810 1.00 0.97 C ATOM 225 C THR A 264 1.552 12.421 -1.649 1.00 0.73 C ATOM 226 O THR A 264 2.032 13.419 -1.107 1.00 0.87 O ATOM 227 CB THR A 264 2.484 10.361 -0.559 1.00 1.28 C ATOM 228 OG1 THR A 264 3.445 11.163 0.139 1.00 1.64 O ATOM 229 CG2 THR A 264 3.102 9.864 -1.857 1.00 1.20 C ATOM 0 H THR A 264 0.400 9.486 -1.771 1.00 0.90 H new ATOM 0 HA THR A 264 0.810 11.521 0.151 1.00 0.97 H new ATOM 0 HB THR A 264 2.204 9.494 0.039 1.00 1.28 H new ATOM 0 HG1 THR A 264 4.256 10.637 0.298 1.00 1.64 H new ATOM 0 HG21 THR A 264 4.001 9.289 -1.635 1.00 1.20 H new ATOM 0 HG22 THR A 264 2.386 9.231 -2.382 1.00 1.20 H new ATOM 0 HG23 THR A 264 3.362 10.716 -2.486 1.00 1.20 H new ATOM 237 N THR A 265 1.328 12.362 -2.963 1.00 0.70 N ATOM 238 CA THR A 265 1.636 13.506 -3.829 1.00 1.02 C ATOM 239 C THR A 265 0.493 14.541 -3.805 1.00 1.18 C ATOM 240 O THR A 265 -0.102 14.785 -2.755 1.00 1.14 O ATOM 241 CB THR A 265 1.962 13.063 -5.285 1.00 1.45 C ATOM 242 OG1 THR A 265 2.358 14.193 -6.078 1.00 1.89 O ATOM 243 CG2 THR A 265 0.784 12.373 -5.955 1.00 1.57 C ATOM 0 H THR A 265 0.942 11.551 -3.446 1.00 0.70 H new ATOM 0 HA THR A 265 2.532 13.981 -3.430 1.00 1.02 H new ATOM 0 HB THR A 265 2.782 12.348 -5.219 1.00 1.45 H new ATOM 0 HG1 THR A 265 1.930 14.141 -6.958 1.00 1.89 H new ATOM 0 HG21 THR A 265 1.061 12.083 -6.969 1.00 1.57 H new ATOM 0 HG22 THR A 265 0.510 11.485 -5.385 1.00 1.57 H new ATOM 0 HG23 THR A 265 -0.065 13.056 -5.992 1.00 1.57 H new ATOM 251 N GLN A 266 0.202 15.160 -4.953 1.00 1.61 N ATOM 252 CA GLN A 266 -0.855 16.175 -5.057 1.00 1.95 C ATOM 253 C GLN A 266 -0.534 17.388 -4.176 1.00 1.88 C ATOM 254 O GLN A 266 -1.428 18.048 -3.645 1.00 1.98 O ATOM 255 CB GLN A 266 -2.225 15.588 -4.673 1.00 2.08 C ATOM 256 CG GLN A 266 -2.644 14.393 -5.517 1.00 2.18 C ATOM 257 CD GLN A 266 -3.996 13.829 -5.112 1.00 2.37 C ATOM 258 OE1 GLN A 266 -5.014 14.506 -5.192 1.00 2.76 O ATOM 259 NE2 GLN A 266 -4.015 12.583 -4.669 1.00 2.18 N ATOM 0 H GLN A 266 0.687 14.975 -5.831 1.00 1.61 H new ATOM 0 HA GLN A 266 -0.900 16.501 -6.096 1.00 1.95 H new ATOM 0 HB2 GLN A 266 -2.200 15.289 -3.625 1.00 2.08 H new ATOM 0 HB3 GLN A 266 -2.981 16.367 -4.764 1.00 2.08 H new ATOM 0 HG2 GLN A 266 -2.679 14.689 -6.565 1.00 2.18 H new ATOM 0 HG3 GLN A 266 -1.889 13.611 -5.431 1.00 2.18 H new ATOM 0 HE21 GLN A 266 -3.149 12.048 -4.615 1.00 2.18 H new ATOM 0 HE22 GLN A 266 -4.896 12.157 -4.381 1.00 2.18 H new ATOM 268 N SER A 267 0.757 17.676 -4.033 1.00 1.78 N ATOM 269 CA SER A 267 1.211 18.805 -3.223 1.00 1.70 C ATOM 270 C SER A 267 1.828 19.898 -4.094 1.00 1.36 C ATOM 271 O SER A 267 2.623 19.622 -4.992 1.00 1.54 O ATOM 272 CB SER A 267 2.228 18.346 -2.173 1.00 2.20 C ATOM 273 OG SER A 267 2.684 19.436 -1.383 1.00 2.14 O ATOM 0 H SER A 267 1.509 17.142 -4.468 1.00 1.78 H new ATOM 0 HA SER A 267 0.338 19.216 -2.717 1.00 1.70 H new ATOM 0 HB2 SER A 267 1.774 17.593 -1.529 1.00 2.20 H new ATOM 0 HB3 SER A 267 3.076 17.873 -2.668 1.00 2.20 H new ATOM 0 HG SER A 267 3.330 19.112 -0.721 1.00 2.14 H new ATOM 279 N SER A 268 1.448 21.142 -3.819 1.00 1.07 N ATOM 280 CA SER A 268 1.950 22.298 -4.566 1.00 1.05 C ATOM 281 C SER A 268 3.468 22.454 -4.425 1.00 1.50 C ATOM 282 O SER A 268 4.164 22.771 -5.390 1.00 1.86 O ATOM 283 CB SER A 268 1.245 23.565 -4.082 1.00 0.92 C ATOM 284 OG SER A 268 1.783 24.725 -4.688 1.00 1.28 O ATOM 0 H SER A 268 0.788 21.380 -3.078 1.00 1.07 H new ATOM 0 HA SER A 268 1.735 22.135 -5.622 1.00 1.05 H new ATOM 0 HB2 SER A 268 0.180 23.498 -4.306 1.00 0.92 H new ATOM 0 HB3 SER A 268 1.339 23.643 -2.999 1.00 0.92 H new ATOM 0 HG SER A 268 1.703 25.483 -4.072 1.00 1.28 H new ATOM 290 N GLY A 269 3.978 22.220 -3.219 1.00 1.68 N ATOM 291 CA GLY A 269 5.412 22.328 -2.977 1.00 2.22 C ATOM 292 C GLY A 269 5.906 23.763 -2.824 1.00 2.26 C ATOM 293 O GLY A 269 6.562 24.090 -1.834 1.00 2.51 O ATOM 0 H GLY A 269 3.426 21.957 -2.403 1.00 1.68 H new ATOM 0 HA2 GLY A 269 5.661 21.770 -2.074 1.00 2.22 H new ATOM 0 HA3 GLY A 269 5.946 21.856 -3.801 1.00 2.22 H new ATOM 297 N SER A 270 5.592 24.617 -3.799 1.00 2.15 N ATOM 298 CA SER A 270 6.011 26.026 -3.760 1.00 2.32 C ATOM 299 C SER A 270 5.476 26.718 -2.502 1.00 1.91 C ATOM 300 O SER A 270 4.268 26.765 -2.285 1.00 1.48 O ATOM 301 CB SER A 270 5.517 26.767 -5.010 1.00 2.52 C ATOM 302 OG SER A 270 5.997 26.156 -6.199 1.00 2.95 O ATOM 0 H SER A 270 5.050 24.362 -4.625 1.00 2.15 H new ATOM 0 HA SER A 270 7.100 26.053 -3.737 1.00 2.32 H new ATOM 0 HB2 SER A 270 4.427 26.780 -5.020 1.00 2.52 H new ATOM 0 HB3 SER A 270 5.847 27.805 -4.974 1.00 2.52 H new ATOM 0 HG SER A 270 5.664 26.649 -6.978 1.00 2.95 H new ATOM 308 N ARG A 271 6.386 27.235 -1.670 1.00 2.11 N ATOM 309 CA ARG A 271 6.013 27.903 -0.413 1.00 1.84 C ATOM 310 C ARG A 271 5.005 29.036 -0.621 1.00 1.59 C ATOM 311 O ARG A 271 4.051 29.164 0.151 1.00 1.28 O ATOM 312 CB ARG A 271 7.246 28.443 0.302 1.00 2.30 C ATOM 313 CG ARG A 271 6.921 28.978 1.683 1.00 2.15 C ATOM 314 CD ARG A 271 6.575 27.856 2.652 1.00 2.19 C ATOM 315 NE ARG A 271 6.056 28.358 3.925 1.00 2.27 N ATOM 316 CZ ARG A 271 4.864 28.906 4.078 1.00 2.05 C ATOM 317 NH1 ARG A 271 4.051 29.039 3.057 1.00 1.71 N ATOM 318 NH2 ARG A 271 4.483 29.318 5.260 1.00 2.37 N ATOM 0 H ARG A 271 7.391 27.205 -1.843 1.00 2.11 H new ATOM 0 HA ARG A 271 5.534 27.143 0.205 1.00 1.84 H new ATOM 0 HB2 ARG A 271 7.990 27.651 0.387 1.00 2.30 H new ATOM 0 HB3 ARG A 271 7.692 29.237 -0.297 1.00 2.30 H new ATOM 0 HG2 ARG A 271 7.773 29.540 2.066 1.00 2.15 H new ATOM 0 HG3 ARG A 271 6.084 29.673 1.617 1.00 2.15 H new ATOM 0 HD2 ARG A 271 5.835 27.200 2.194 1.00 2.19 H new ATOM 0 HD3 ARG A 271 7.464 27.253 2.838 1.00 2.19 H new ATOM 0 HE ARG A 271 6.654 28.280 4.748 1.00 2.27 H new ATOM 0 HH11 ARG A 271 4.337 28.718 2.132 1.00 1.71 H new ATOM 0 HH12 ARG A 271 3.133 29.464 3.188 1.00 1.71 H new ATOM 0 HH21 ARG A 271 5.106 29.216 6.061 1.00 2.37 H new ATOM 0 HH22 ARG A 271 3.563 29.741 5.380 1.00 2.37 H new ATOM 332 N ALA A 272 5.216 29.853 -1.651 1.00 1.96 N ATOM 333 CA ALA A 272 4.309 30.965 -1.942 1.00 2.09 C ATOM 334 C ALA A 272 2.903 30.451 -2.262 1.00 1.91 C ATOM 335 O ALA A 272 1.904 30.992 -1.789 1.00 2.05 O ATOM 336 CB ALA A 272 4.850 31.801 -3.093 1.00 2.72 C ATOM 0 H ALA A 272 6.002 29.768 -2.296 1.00 1.96 H new ATOM 0 HA ALA A 272 4.244 31.596 -1.056 1.00 2.09 H new ATOM 0 HB1 ALA A 272 4.165 32.624 -3.298 1.00 2.72 H new ATOM 0 HB2 ALA A 272 5.828 32.201 -2.824 1.00 2.72 H new ATOM 0 HB3 ALA A 272 4.945 31.178 -3.982 1.00 2.72 H new ATOM 342 N SER A 273 2.838 29.390 -3.053 1.00 1.75 N ATOM 343 CA SER A 273 1.564 28.787 -3.423 1.00 1.75 C ATOM 344 C SER A 273 1.233 27.610 -2.522 1.00 1.15 C ATOM 345 O SER A 273 0.900 26.528 -2.998 1.00 1.03 O ATOM 346 CB SER A 273 1.584 28.317 -4.871 1.00 2.12 C ATOM 347 OG SER A 273 2.128 29.307 -5.731 1.00 2.82 O ATOM 0 H SER A 273 3.654 28.927 -3.452 1.00 1.75 H new ATOM 0 HA SER A 273 0.798 29.553 -3.304 1.00 1.75 H new ATOM 0 HB2 SER A 273 2.171 27.402 -4.950 1.00 2.12 H new ATOM 0 HB3 SER A 273 0.571 28.073 -5.190 1.00 2.12 H new ATOM 0 HG SER A 273 2.129 28.975 -6.653 1.00 2.82 H new ATOM 353 N LEU A 274 1.285 27.833 -1.216 1.00 1.04 N ATOM 354 CA LEU A 274 0.944 26.787 -0.262 1.00 1.14 C ATOM 355 C LEU A 274 -0.327 27.113 0.551 1.00 1.86 C ATOM 356 O LEU A 274 -0.367 26.813 1.744 1.00 2.22 O ATOM 357 CB LEU A 274 2.108 26.536 0.704 1.00 1.20 C ATOM 358 CG LEU A 274 3.173 25.553 0.218 1.00 1.22 C ATOM 359 CD1 LEU A 274 4.166 25.255 1.329 1.00 1.84 C ATOM 360 CD2 LEU A 274 2.531 24.267 -0.280 1.00 1.42 C ATOM 0 H LEU A 274 1.558 28.721 -0.795 1.00 1.04 H new ATOM 0 HA LEU A 274 0.745 25.890 -0.849 1.00 1.14 H new ATOM 0 HB2 LEU A 274 2.591 27.490 0.918 1.00 1.20 H new ATOM 0 HB3 LEU A 274 1.701 26.166 1.645 1.00 1.20 H new ATOM 0 HG LEU A 274 3.709 26.012 -0.613 1.00 1.22 H new ATOM 0 HD11 LEU A 274 4.918 24.554 0.967 1.00 1.84 H new ATOM 0 HD12 LEU A 274 4.652 26.180 1.640 1.00 1.84 H new ATOM 0 HD13 LEU A 274 3.641 24.818 2.178 1.00 1.84 H new ATOM 0 HD21 LEU A 274 3.307 23.581 -0.621 1.00 1.42 H new ATOM 0 HD22 LEU A 274 1.968 23.804 0.530 1.00 1.42 H new ATOM 0 HD23 LEU A 274 1.857 24.493 -1.107 1.00 1.42 H new ATOM 372 N PRO A 275 -1.395 27.724 -0.046 1.00 2.27 N ATOM 373 CA PRO A 275 -2.626 28.042 0.710 1.00 2.99 C ATOM 374 C PRO A 275 -3.265 26.795 1.333 1.00 3.32 C ATOM 375 O PRO A 275 -3.804 26.851 2.439 1.00 3.84 O ATOM 376 CB PRO A 275 -3.547 28.654 -0.351 1.00 3.37 C ATOM 377 CG PRO A 275 -2.600 29.204 -1.350 1.00 3.02 C ATOM 378 CD PRO A 275 -1.525 28.167 -1.455 1.00 2.29 C ATOM 0 HA PRO A 275 -2.430 28.706 1.552 1.00 2.99 H new ATOM 0 HB2 PRO A 275 -4.206 27.906 -0.791 1.00 3.37 H new ATOM 0 HB3 PRO A 275 -4.184 29.432 0.070 1.00 3.37 H new ATOM 0 HG2 PRO A 275 -3.088 29.369 -2.311 1.00 3.02 H new ATOM 0 HG3 PRO A 275 -2.196 30.164 -1.028 1.00 3.02 H new ATOM 0 HD2 PRO A 275 -1.809 27.349 -2.117 1.00 2.29 H new ATOM 0 HD3 PRO A 275 -0.594 28.581 -1.841 1.00 2.29 H new ATOM 386 N LYS A 276 -3.168 25.672 0.609 1.00 3.09 N ATOM 387 CA LYS A 276 -3.700 24.375 1.054 1.00 3.47 C ATOM 388 C LYS A 276 -5.220 24.427 1.280 1.00 4.14 C ATOM 389 O LYS A 276 -5.653 24.511 2.456 1.00 4.77 O ATOM 390 CB LYS A 276 -2.969 23.919 2.328 1.00 3.72 C ATOM 391 CG LYS A 276 -2.862 22.404 2.482 1.00 4.01 C ATOM 392 CD LYS A 276 -4.178 21.754 2.895 1.00 4.67 C ATOM 393 CE LYS A 276 -4.510 22.014 4.364 1.00 5.37 C ATOM 394 NZ LYS A 276 -4.903 23.431 4.625 1.00 5.46 N ATOM 395 OXT LYS A 276 -5.962 24.363 0.276 1.00 4.17 O ATOM 0 H LYS A 276 -2.717 25.636 -0.305 1.00 3.09 H new ATOM 0 HA LYS A 276 -3.522 23.647 0.263 1.00 3.47 H new ATOM 0 HB2 LYS A 276 -1.965 24.344 2.329 1.00 3.72 H new ATOM 0 HB3 LYS A 276 -3.488 24.325 3.196 1.00 3.72 H new ATOM 0 HG2 LYS A 276 -2.529 21.971 1.539 1.00 4.01 H new ATOM 0 HG3 LYS A 276 -2.099 22.173 3.226 1.00 4.01 H new ATOM 0 HD2 LYS A 276 -4.984 22.137 2.268 1.00 4.67 H new ATOM 0 HD3 LYS A 276 -4.122 20.679 2.721 1.00 4.67 H new ATOM 0 HE2 LYS A 276 -5.321 21.354 4.671 1.00 5.37 H new ATOM 0 HE3 LYS A 276 -3.645 21.762 4.978 1.00 5.37 H new ATOM 0 HZ1 LYS A 276 -5.724 23.452 5.263 1.00 5.46 H new ATOM 0 HZ2 LYS A 276 -4.108 23.936 5.066 1.00 5.46 H new ATOM 0 HZ3 LYS A 276 -5.151 23.893 3.727 1.00 5.46 H new TER 409 LYS A 276