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 Set 1.1: A 266 GLN : amide:sc= 0.0602! K(o=1.1!,f=-1.6) USER MOD Set 1.2: A 270 SER OG : rot -162:sc= 1.01 USER MOD Single : A 258 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 259 THR OG1 : rot -77:sc= 0.968 USER MOD Single : A 262 THR OG1 : rot 56:sc= 1.29 USER MOD Single : A 263 MET CE :methyl -163:sc= -0.0812 (180deg=-0.475) USER MOD Single : A 264 THR OG1 : rot 180:sc= 0 USER MOD Single : A 265 THR OG1 : rot -44:sc= 0.979 USER MOD Single : A 267 SER OG : rot 180:sc= 0 USER MOD Single : A 268 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+ -105:sc= -0.927 (180deg=-2.39) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 249 1.481 -4.140 -13.751 1.00 2.02 N ATOM 2 CA ALA A 249 1.920 -3.911 -12.347 1.00 1.70 C ATOM 3 C ALA A 249 1.799 -5.191 -11.517 1.00 1.50 C ATOM 4 O ALA A 249 1.042 -6.094 -11.874 1.00 1.53 O ATOM 5 CB ALA A 249 1.111 -2.790 -11.712 1.00 1.51 C ATOM 0 HA ALA A 249 2.970 -3.617 -12.366 1.00 1.70 H new ATOM 0 HB1 ALA A 249 1.445 -2.636 -10.686 1.00 1.51 H new ATOM 0 HB2 ALA A 249 1.253 -1.871 -12.281 1.00 1.51 H new ATOM 0 HB3 ALA A 249 0.054 -3.058 -11.713 1.00 1.51 H new ATOM 13 N PRO A 250 2.557 -5.291 -10.407 1.00 1.35 N ATOM 14 CA PRO A 250 2.548 -6.473 -9.527 1.00 1.22 C ATOM 15 C PRO A 250 1.270 -6.615 -8.674 1.00 0.90 C ATOM 16 O PRO A 250 1.345 -6.867 -7.470 1.00 0.79 O ATOM 17 CB PRO A 250 3.770 -6.232 -8.639 1.00 1.34 C ATOM 18 CG PRO A 250 3.888 -4.757 -8.565 1.00 1.34 C ATOM 19 CD PRO A 250 3.501 -4.266 -9.924 1.00 1.43 C ATOM 0 HA PRO A 250 2.573 -7.400 -10.100 1.00 1.22 H new ATOM 0 HB2 PRO A 250 3.635 -6.670 -7.650 1.00 1.34 H new ATOM 0 HB3 PRO A 250 4.666 -6.681 -9.067 1.00 1.34 H new ATOM 0 HG2 PRO A 250 3.233 -4.347 -7.796 1.00 1.34 H new ATOM 0 HG3 PRO A 250 4.904 -4.455 -8.311 1.00 1.34 H new ATOM 0 HD2 PRO A 250 3.035 -3.282 -9.877 1.00 1.43 H new ATOM 0 HD3 PRO A 250 4.367 -4.177 -10.580 1.00 1.43 H new ATOM 27 N ALA A 251 0.108 -6.474 -9.320 1.00 0.91 N ATOM 28 CA ALA A 251 -1.203 -6.608 -8.661 1.00 0.80 C ATOM 29 C ALA A 251 -1.319 -5.794 -7.358 1.00 0.57 C ATOM 30 O ALA A 251 -1.276 -4.563 -7.376 1.00 0.57 O ATOM 31 CB ALA A 251 -1.505 -8.080 -8.405 1.00 0.86 C ATOM 0 H ALA A 251 0.046 -6.263 -10.316 1.00 0.91 H new ATOM 0 HA ALA A 251 -1.945 -6.191 -9.342 1.00 0.80 H new ATOM 0 HB1 ALA A 251 -2.476 -8.173 -7.918 1.00 0.86 H new ATOM 0 HB2 ALA A 251 -1.522 -8.618 -9.353 1.00 0.86 H new ATOM 0 HB3 ALA A 251 -0.734 -8.503 -7.761 1.00 0.86 H new ATOM 37 N ARG A 252 -1.485 -6.508 -6.236 1.00 0.52 N ATOM 38 CA ARG A 252 -1.631 -5.902 -4.904 1.00 0.61 C ATOM 39 C ARG A 252 -0.540 -4.868 -4.609 1.00 0.52 C ATOM 40 O ARG A 252 -0.829 -3.753 -4.169 1.00 0.57 O ATOM 41 CB ARG A 252 -1.604 -7.015 -3.842 1.00 0.85 C ATOM 42 CG ARG A 252 -1.544 -6.531 -2.396 1.00 1.17 C ATOM 43 CD ARG A 252 -2.715 -5.626 -2.047 1.00 1.32 C ATOM 44 NE ARG A 252 -2.902 -5.478 -0.598 1.00 1.76 N ATOM 45 CZ ARG A 252 -3.352 -6.436 0.201 1.00 2.17 C ATOM 46 NH1 ARG A 252 -3.695 -7.600 -0.286 1.00 2.22 N ATOM 47 NH2 ARG A 252 -3.469 -6.224 1.490 1.00 2.58 N ATOM 0 H ARG A 252 -1.522 -7.527 -6.226 1.00 0.52 H new ATOM 0 HA ARG A 252 -2.584 -5.373 -4.878 1.00 0.61 H new ATOM 0 HB2 ARG A 252 -2.493 -7.634 -3.965 1.00 0.85 H new ATOM 0 HB3 ARG A 252 -0.742 -7.654 -4.031 1.00 0.85 H new ATOM 0 HG2 ARG A 252 -1.539 -7.391 -1.726 1.00 1.17 H new ATOM 0 HG3 ARG A 252 -0.610 -5.994 -2.232 1.00 1.17 H new ATOM 0 HD2 ARG A 252 -2.555 -4.644 -2.491 1.00 1.32 H new ATOM 0 HD3 ARG A 252 -3.626 -6.031 -2.488 1.00 1.32 H new ATOM 0 HE ARG A 252 -2.670 -4.578 -0.178 1.00 1.76 H new ATOM 0 HH11 ARG A 252 -3.617 -7.777 -1.288 1.00 2.22 H new ATOM 0 HH12 ARG A 252 -4.040 -8.331 0.336 1.00 2.22 H new ATOM 0 HH21 ARG A 252 -3.213 -5.318 1.883 1.00 2.58 H new ATOM 0 HH22 ARG A 252 -3.816 -6.965 2.099 1.00 2.58 H new ATOM 61 N VAL A 253 0.706 -5.243 -4.853 1.00 0.58 N ATOM 62 CA VAL A 253 1.835 -4.351 -4.609 1.00 0.74 C ATOM 63 C VAL A 253 1.775 -3.125 -5.520 1.00 0.61 C ATOM 64 O VAL A 253 1.971 -1.996 -5.068 1.00 0.64 O ATOM 65 CB VAL A 253 3.177 -5.083 -4.803 1.00 1.02 C ATOM 66 CG1 VAL A 253 4.335 -4.208 -4.347 1.00 1.30 C ATOM 67 CG2 VAL A 253 3.170 -6.407 -4.050 1.00 1.19 C ATOM 0 H VAL A 253 0.964 -6.159 -5.220 1.00 0.58 H new ATOM 0 HA VAL A 253 1.767 -4.020 -3.573 1.00 0.74 H new ATOM 0 HB VAL A 253 3.309 -5.292 -5.865 1.00 1.02 H new ATOM 0 HG11 VAL A 253 5.274 -4.742 -4.492 1.00 1.30 H new ATOM 0 HG12 VAL A 253 4.347 -3.288 -4.931 1.00 1.30 H new ATOM 0 HG13 VAL A 253 4.214 -3.966 -3.291 1.00 1.30 H new ATOM 0 HG21 VAL A 253 4.124 -6.914 -4.196 1.00 1.19 H new ATOM 0 HG22 VAL A 253 3.017 -6.220 -2.987 1.00 1.19 H new ATOM 0 HG23 VAL A 253 2.364 -7.036 -4.428 1.00 1.19 H new ATOM 77 N GLY A 254 1.472 -3.354 -6.795 1.00 0.58 N ATOM 78 CA GLY A 254 1.360 -2.259 -7.748 1.00 0.66 C ATOM 79 C GLY A 254 0.261 -1.282 -7.366 1.00 0.47 C ATOM 80 O GLY A 254 0.481 -0.071 -7.332 1.00 0.49 O ATOM 0 H GLY A 254 1.301 -4.280 -7.187 1.00 0.58 H new ATOM 0 HA2 GLY A 254 2.311 -1.730 -7.806 1.00 0.66 H new ATOM 0 HA3 GLY A 254 1.158 -2.662 -8.741 1.00 0.66 H new ATOM 84 N LEU A 255 -0.918 -1.814 -7.050 1.00 0.41 N ATOM 85 CA LEU A 255 -2.048 -0.985 -6.638 1.00 0.52 C ATOM 86 C LEU A 255 -1.712 -0.223 -5.355 1.00 0.42 C ATOM 87 O LEU A 255 -2.011 0.968 -5.227 1.00 0.50 O ATOM 88 CB LEU A 255 -3.291 -1.839 -6.426 1.00 0.76 C ATOM 89 CG LEU A 255 -4.588 -1.043 -6.431 1.00 1.06 C ATOM 90 CD1 LEU A 255 -4.815 -0.410 -7.796 1.00 1.25 C ATOM 91 CD2 LEU A 255 -5.759 -1.926 -6.041 1.00 1.33 C ATOM 0 H LEU A 255 -1.115 -2.815 -7.071 1.00 0.41 H new ATOM 0 HA LEU A 255 -2.250 -0.266 -7.432 1.00 0.52 H new ATOM 0 HB2 LEU A 255 -3.338 -2.598 -7.207 1.00 0.76 H new ATOM 0 HB3 LEU A 255 -3.202 -2.365 -5.476 1.00 0.76 H new ATOM 0 HG LEU A 255 -4.509 -0.245 -5.693 1.00 1.06 H new ATOM 0 HD11 LEU A 255 -5.746 0.156 -7.784 1.00 1.25 H new ATOM 0 HD12 LEU A 255 -3.987 0.259 -8.029 1.00 1.25 H new ATOM 0 HD13 LEU A 255 -4.875 -1.191 -8.554 1.00 1.25 H new ATOM 0 HD21 LEU A 255 -6.677 -1.338 -6.051 1.00 1.33 H new ATOM 0 HD22 LEU A 255 -5.847 -2.748 -6.751 1.00 1.33 H new ATOM 0 HD23 LEU A 255 -5.595 -2.327 -5.041 1.00 1.33 H new ATOM 103 N GLY A 256 -1.074 -0.916 -4.410 1.00 0.45 N ATOM 104 CA GLY A 256 -0.690 -0.294 -3.154 1.00 0.66 C ATOM 105 C GLY A 256 0.273 0.869 -3.342 1.00 0.60 C ATOM 106 O GLY A 256 0.004 1.976 -2.882 1.00 0.68 O ATOM 0 H GLY A 256 -0.817 -1.899 -4.494 1.00 0.45 H new ATOM 0 HA2 GLY A 256 -1.584 0.060 -2.641 1.00 0.66 H new ATOM 0 HA3 GLY A 256 -0.228 -1.042 -2.510 1.00 0.66 H new ATOM 110 N ILE A 257 1.390 0.634 -4.031 1.00 0.59 N ATOM 111 CA ILE A 257 2.364 1.703 -4.265 1.00 0.71 C ATOM 112 C ILE A 257 1.763 2.830 -5.114 1.00 0.52 C ATOM 113 O ILE A 257 2.060 4.000 -4.893 1.00 0.60 O ATOM 114 CB ILE A 257 3.684 1.183 -4.901 1.00 0.95 C ATOM 115 CG1 ILE A 257 3.447 0.506 -6.256 1.00 0.90 C ATOM 116 CG2 ILE A 257 4.382 0.223 -3.951 1.00 1.18 C ATOM 117 CD1 ILE A 257 3.677 1.414 -7.448 1.00 1.05 C ATOM 0 H ILE A 257 1.641 -0.270 -4.431 1.00 0.59 H new ATOM 0 HA ILE A 257 2.618 2.105 -3.284 1.00 0.71 H new ATOM 0 HB ILE A 257 4.322 2.049 -5.077 1.00 0.95 H new ATOM 0 HG12 ILE A 257 4.106 -0.359 -6.339 1.00 0.90 H new ATOM 0 HG13 ILE A 257 2.424 0.132 -6.290 1.00 0.90 H new ATOM 0 HG21 ILE A 257 5.305 -0.134 -4.408 1.00 1.18 H new ATOM 0 HG22 ILE A 257 4.614 0.738 -3.019 1.00 1.18 H new ATOM 0 HG23 ILE A 257 3.728 -0.624 -3.744 1.00 1.18 H new ATOM 0 HD11 ILE A 257 3.489 0.861 -8.368 1.00 1.05 H new ATOM 0 HD12 ILE A 257 3.000 2.266 -7.392 1.00 1.05 H new ATOM 0 HD13 ILE A 257 4.708 1.768 -7.442 1.00 1.05 H new ATOM 129 N THR A 258 0.903 2.474 -6.073 1.00 0.38 N ATOM 130 CA THR A 258 0.255 3.470 -6.934 1.00 0.46 C ATOM 131 C THR A 258 -0.677 4.374 -6.123 1.00 0.37 C ATOM 132 O THR A 258 -0.637 5.601 -6.253 1.00 0.43 O ATOM 133 CB THR A 258 -0.556 2.807 -8.071 1.00 0.69 C ATOM 134 OG1 THR A 258 0.300 1.980 -8.870 1.00 0.86 O ATOM 135 CG2 THR A 258 -1.216 3.852 -8.962 1.00 0.97 C ATOM 0 H THR A 258 0.640 1.509 -6.273 1.00 0.38 H new ATOM 0 HA THR A 258 1.054 4.067 -7.374 1.00 0.46 H new ATOM 0 HB THR A 258 -1.335 2.199 -7.611 1.00 0.69 H new ATOM 0 HG1 THR A 258 0.572 1.194 -8.352 1.00 0.86 H new ATOM 0 HG21 THR A 258 -1.779 3.354 -9.752 1.00 0.97 H new ATOM 0 HG22 THR A 258 -1.892 4.464 -8.365 1.00 0.97 H new ATOM 0 HG23 THR A 258 -0.450 4.487 -9.407 1.00 0.97 H new ATOM 143 N THR A 259 -1.505 3.766 -5.273 1.00 0.42 N ATOM 144 CA THR A 259 -2.431 4.526 -4.434 1.00 0.65 C ATOM 145 C THR A 259 -1.670 5.363 -3.411 1.00 0.62 C ATOM 146 O THR A 259 -1.945 6.552 -3.249 1.00 0.70 O ATOM 147 CB THR A 259 -3.444 3.616 -3.709 1.00 0.92 C ATOM 148 OG1 THR A 259 -2.764 2.552 -3.034 1.00 0.89 O ATOM 149 CG2 THR A 259 -4.455 3.040 -4.691 1.00 1.09 C ATOM 0 H THR A 259 -1.553 2.755 -5.148 1.00 0.42 H new ATOM 0 HA THR A 259 -2.989 5.184 -5.100 1.00 0.65 H new ATOM 0 HB THR A 259 -3.977 4.222 -2.976 1.00 0.92 H new ATOM 0 HG1 THR A 259 -2.493 1.872 -3.685 1.00 0.89 H new ATOM 0 HG21 THR A 259 -5.159 2.402 -4.156 1.00 1.09 H new ATOM 0 HG22 THR A 259 -4.997 3.853 -5.174 1.00 1.09 H new ATOM 0 HG23 THR A 259 -3.934 2.452 -5.447 1.00 1.09 H new ATOM 157 N VAL A 260 -0.694 4.748 -2.741 1.00 0.64 N ATOM 158 CA VAL A 260 0.124 5.458 -1.757 1.00 0.82 C ATOM 159 C VAL A 260 0.840 6.645 -2.410 1.00 0.69 C ATOM 160 O VAL A 260 0.811 7.758 -1.882 1.00 0.78 O ATOM 161 CB VAL A 260 1.159 4.523 -1.091 1.00 1.02 C ATOM 162 CG1 VAL A 260 2.128 5.310 -0.220 1.00 1.29 C ATOM 163 CG2 VAL A 260 0.455 3.456 -0.266 1.00 1.20 C ATOM 0 H VAL A 260 -0.452 3.765 -2.861 1.00 0.64 H new ATOM 0 HA VAL A 260 -0.548 5.825 -0.981 1.00 0.82 H new ATOM 0 HB VAL A 260 1.732 4.037 -1.881 1.00 1.02 H new ATOM 0 HG11 VAL A 260 2.845 4.627 0.236 1.00 1.29 H new ATOM 0 HG12 VAL A 260 2.660 6.038 -0.833 1.00 1.29 H new ATOM 0 HG13 VAL A 260 1.574 5.830 0.562 1.00 1.29 H new ATOM 0 HG21 VAL A 260 1.197 2.805 0.197 1.00 1.20 H new ATOM 0 HG22 VAL A 260 -0.144 3.932 0.510 1.00 1.20 H new ATOM 0 HG23 VAL A 260 -0.193 2.865 -0.913 1.00 1.20 H new ATOM 173 N LEU A 261 1.453 6.410 -3.576 1.00 0.55 N ATOM 174 CA LEU A 261 2.143 7.474 -4.308 1.00 0.59 C ATOM 175 C LEU A 261 1.157 8.579 -4.695 1.00 0.44 C ATOM 176 O LEU A 261 1.440 9.764 -4.528 1.00 0.53 O ATOM 177 CB LEU A 261 2.816 6.919 -5.562 1.00 0.74 C ATOM 178 CG LEU A 261 3.733 7.908 -6.282 1.00 1.00 C ATOM 179 CD1 LEU A 261 4.788 8.447 -5.326 1.00 1.21 C ATOM 180 CD2 LEU A 261 4.389 7.244 -7.480 1.00 1.26 C ATOM 0 H LEU A 261 1.484 5.497 -4.030 1.00 0.55 H new ATOM 0 HA LEU A 261 2.910 7.892 -3.656 1.00 0.59 H new ATOM 0 HB2 LEU A 261 3.397 6.039 -5.287 1.00 0.74 H new ATOM 0 HB3 LEU A 261 2.044 6.588 -6.256 1.00 0.74 H new ATOM 0 HG LEU A 261 3.131 8.745 -6.637 1.00 1.00 H new ATOM 0 HD11 LEU A 261 5.433 9.150 -5.854 1.00 1.21 H new ATOM 0 HD12 LEU A 261 4.300 8.956 -4.495 1.00 1.21 H new ATOM 0 HD13 LEU A 261 5.388 7.621 -4.943 1.00 1.21 H new ATOM 0 HD21 LEU A 261 5.039 7.960 -7.983 1.00 1.26 H new ATOM 0 HD22 LEU A 261 4.979 6.391 -7.145 1.00 1.26 H new ATOM 0 HD23 LEU A 261 3.620 6.903 -8.173 1.00 1.26 H new ATOM 192 N THR A 262 -0.011 8.175 -5.193 1.00 0.36 N ATOM 193 CA THR A 262 -1.058 9.122 -5.585 1.00 0.52 C ATOM 194 C THR A 262 -1.513 9.970 -4.393 1.00 0.58 C ATOM 195 O THR A 262 -1.612 11.194 -4.483 1.00 0.67 O ATOM 196 CB THR A 262 -2.283 8.381 -6.167 1.00 0.76 C ATOM 197 OG1 THR A 262 -1.904 7.635 -7.332 1.00 0.84 O ATOM 198 CG2 THR A 262 -3.397 9.353 -6.525 1.00 1.07 C ATOM 0 H THR A 262 -0.258 7.196 -5.335 1.00 0.36 H new ATOM 0 HA THR A 262 -0.631 9.774 -6.347 1.00 0.52 H new ATOM 0 HB THR A 262 -2.653 7.699 -5.402 1.00 0.76 H new ATOM 0 HG1 THR A 262 -1.175 7.021 -7.104 1.00 0.84 H new ATOM 0 HG21 THR A 262 -4.245 8.801 -6.932 1.00 1.07 H new ATOM 0 HG22 THR A 262 -3.710 9.892 -5.631 1.00 1.07 H new ATOM 0 HG23 THR A 262 -3.035 10.063 -7.269 1.00 1.07 H new ATOM 206 N MET A 263 -1.788 9.304 -3.275 1.00 0.68 N ATOM 207 CA MET A 263 -2.235 9.987 -2.059 1.00 0.93 C ATOM 208 C MET A 263 -1.160 10.913 -1.476 1.00 0.88 C ATOM 209 O MET A 263 -1.469 12.024 -1.037 1.00 0.99 O ATOM 210 CB MET A 263 -2.666 8.968 -1.001 1.00 1.21 C ATOM 211 CG MET A 263 -3.931 8.206 -1.366 1.00 1.43 C ATOM 212 SD MET A 263 -5.347 9.290 -1.636 1.00 1.85 S ATOM 213 CE MET A 263 -5.501 10.074 -0.032 1.00 2.19 C ATOM 0 H MET A 263 -1.710 8.291 -3.183 1.00 0.68 H new ATOM 0 HA MET A 263 -3.086 10.607 -2.342 1.00 0.93 H new ATOM 0 HB2 MET A 263 -1.856 8.256 -0.844 1.00 1.21 H new ATOM 0 HB3 MET A 263 -2.824 9.485 -0.054 1.00 1.21 H new ATOM 0 HG2 MET A 263 -3.750 7.621 -2.268 1.00 1.43 H new ATOM 0 HG3 MET A 263 -4.167 7.500 -0.570 1.00 1.43 H new ATOM 0 HE1 MET A 263 -6.487 10.530 0.057 1.00 2.19 H new ATOM 0 HE2 MET A 263 -5.375 9.327 0.752 1.00 2.19 H new ATOM 0 HE3 MET A 263 -4.735 10.843 0.072 1.00 2.19 H new ATOM 223 N THR A 264 0.097 10.461 -1.445 1.00 0.83 N ATOM 224 CA THR A 264 1.177 11.282 -0.882 1.00 0.98 C ATOM 225 C THR A 264 1.490 12.521 -1.731 1.00 0.83 C ATOM 226 O THR A 264 1.868 13.558 -1.186 1.00 0.99 O ATOM 227 CB THR A 264 2.485 10.491 -0.640 1.00 1.14 C ATOM 228 OG1 THR A 264 3.440 11.335 0.014 1.00 1.42 O ATOM 229 CG2 THR A 264 3.087 9.977 -1.937 1.00 1.00 C ATOM 0 H THR A 264 0.390 9.549 -1.795 1.00 0.83 H new ATOM 0 HA THR A 264 0.789 11.607 0.083 1.00 0.98 H new ATOM 0 HB THR A 264 2.240 9.632 -0.016 1.00 1.14 H new ATOM 0 HG1 THR A 264 4.268 10.834 0.169 1.00 1.42 H new ATOM 0 HG21 THR A 264 4.003 9.428 -1.720 1.00 1.00 H new ATOM 0 HG22 THR A 264 2.376 9.315 -2.431 1.00 1.00 H new ATOM 0 HG23 THR A 264 3.314 10.819 -2.591 1.00 1.00 H new ATOM 237 N THR A 265 1.343 12.428 -3.055 1.00 0.61 N ATOM 238 CA THR A 265 1.629 13.577 -3.928 1.00 0.60 C ATOM 239 C THR A 265 0.420 14.522 -4.047 1.00 0.44 C ATOM 240 O THR A 265 0.210 15.164 -5.080 1.00 0.52 O ATOM 241 CB THR A 265 2.085 13.136 -5.343 1.00 0.74 C ATOM 242 OG1 THR A 265 2.445 14.283 -6.123 1.00 0.90 O ATOM 243 CG2 THR A 265 0.993 12.362 -6.069 1.00 0.71 C ATOM 0 H THR A 265 1.034 11.587 -3.542 1.00 0.61 H new ATOM 0 HA THR A 265 2.449 14.117 -3.454 1.00 0.60 H new ATOM 0 HB THR A 265 2.948 12.481 -5.220 1.00 0.74 H new ATOM 0 HG1 THR A 265 1.774 14.986 -5.999 1.00 0.90 H new ATOM 0 HG21 THR A 265 1.349 12.070 -7.057 1.00 0.71 H new ATOM 0 HG22 THR A 265 0.738 11.470 -5.497 1.00 0.71 H new ATOM 0 HG23 THR A 265 0.109 12.991 -6.174 1.00 0.71 H new ATOM 251 N GLN A 266 -0.362 14.618 -2.976 1.00 0.47 N ATOM 252 CA GLN A 266 -1.541 15.487 -2.949 1.00 0.53 C ATOM 253 C GLN A 266 -1.145 16.955 -2.709 1.00 0.50 C ATOM 254 O GLN A 266 -1.606 17.594 -1.759 1.00 0.61 O ATOM 255 CB GLN A 266 -2.514 15.005 -1.867 1.00 0.79 C ATOM 256 CG GLN A 266 -3.894 15.643 -1.938 1.00 0.95 C ATOM 257 CD GLN A 266 -4.826 15.159 -0.839 1.00 1.23 C ATOM 258 OE1 GLN A 266 -5.956 15.621 -0.722 1.00 1.40 O ATOM 259 NE2 GLN A 266 -4.363 14.221 -0.030 1.00 1.35 N ATOM 0 H GLN A 266 -0.202 14.103 -2.110 1.00 0.47 H new ATOM 0 HA GLN A 266 -2.033 15.434 -3.920 1.00 0.53 H new ATOM 0 HB2 GLN A 266 -2.622 13.923 -1.947 1.00 0.79 H new ATOM 0 HB3 GLN A 266 -2.081 15.210 -0.888 1.00 0.79 H new ATOM 0 HG2 GLN A 266 -3.792 16.726 -1.870 1.00 0.95 H new ATOM 0 HG3 GLN A 266 -4.340 15.425 -2.908 1.00 0.95 H new ATOM 0 HE21 GLN A 266 -3.418 13.860 -0.157 1.00 1.35 H new ATOM 0 HE22 GLN A 266 -4.951 13.859 0.721 1.00 1.35 H new ATOM 268 N SER A 267 -0.282 17.480 -3.574 1.00 0.51 N ATOM 269 CA SER A 267 0.191 18.865 -3.468 1.00 0.64 C ATOM 270 C SER A 267 -0.880 19.869 -3.906 1.00 0.70 C ATOM 271 O SER A 267 -0.653 20.681 -4.802 1.00 0.84 O ATOM 272 CB SER A 267 1.455 19.063 -4.312 1.00 0.80 C ATOM 273 OG SER A 267 2.488 18.182 -3.905 1.00 0.81 O ATOM 0 H SER A 267 0.109 16.966 -4.363 1.00 0.51 H new ATOM 0 HA SER A 267 0.418 19.049 -2.418 1.00 0.64 H new ATOM 0 HB2 SER A 267 1.223 18.894 -5.364 1.00 0.80 H new ATOM 0 HB3 SER A 267 1.797 20.094 -4.223 1.00 0.80 H new ATOM 0 HG SER A 267 3.281 18.329 -4.461 1.00 0.81 H new ATOM 279 N SER A 268 -2.046 19.810 -3.271 1.00 0.65 N ATOM 280 CA SER A 268 -3.150 20.714 -3.600 1.00 0.74 C ATOM 281 C SER A 268 -4.165 20.780 -2.462 1.00 0.72 C ATOM 282 O SER A 268 -4.463 19.766 -1.826 1.00 0.72 O ATOM 283 CB SER A 268 -3.856 20.264 -4.883 1.00 0.80 C ATOM 284 OG SER A 268 -4.449 18.985 -4.723 1.00 0.78 O ATOM 0 H SER A 268 -2.254 19.146 -2.525 1.00 0.65 H new ATOM 0 HA SER A 268 -2.725 21.706 -3.752 1.00 0.74 H new ATOM 0 HB2 SER A 268 -4.622 20.991 -5.154 1.00 0.80 H new ATOM 0 HB3 SER A 268 -3.140 20.235 -5.704 1.00 0.80 H new ATOM 0 HG SER A 268 -4.894 18.724 -5.556 1.00 0.78 H new ATOM 290 N GLY A 269 -4.693 21.978 -2.215 1.00 0.79 N ATOM 291 CA GLY A 269 -5.677 22.173 -1.156 1.00 0.81 C ATOM 292 C GLY A 269 -7.045 21.589 -1.487 1.00 0.83 C ATOM 293 O GLY A 269 -7.988 22.326 -1.763 1.00 0.97 O ATOM 0 H GLY A 269 -4.456 22.824 -2.733 1.00 0.79 H new ATOM 0 HA2 GLY A 269 -5.307 21.716 -0.238 1.00 0.81 H new ATOM 0 HA3 GLY A 269 -5.783 23.240 -0.961 1.00 0.81 H new ATOM 297 N SER A 270 -7.142 20.264 -1.470 1.00 0.82 N ATOM 298 CA SER A 270 -8.394 19.566 -1.778 1.00 0.92 C ATOM 299 C SER A 270 -9.480 19.847 -0.732 1.00 0.75 C ATOM 300 O SER A 270 -10.586 20.266 -1.068 1.00 0.77 O ATOM 301 CB SER A 270 -8.141 18.060 -1.853 1.00 1.08 C ATOM 302 OG SER A 270 -7.615 17.575 -0.627 1.00 1.02 O ATOM 0 H SER A 270 -6.364 19.644 -1.245 1.00 0.82 H new ATOM 0 HA SER A 270 -8.749 19.937 -2.739 1.00 0.92 H new ATOM 0 HB2 SER A 270 -9.071 17.542 -2.085 1.00 1.08 H new ATOM 0 HB3 SER A 270 -7.445 17.844 -2.663 1.00 1.08 H new ATOM 0 HG SER A 270 -7.198 16.700 -0.773 1.00 1.02 H new ATOM 308 N ARG A 271 -9.164 19.601 0.536 1.00 0.67 N ATOM 309 CA ARG A 271 -10.118 19.814 1.625 1.00 0.54 C ATOM 310 C ARG A 271 -10.259 21.305 1.973 1.00 0.55 C ATOM 311 O ARG A 271 -9.802 21.757 3.026 1.00 0.74 O ATOM 312 CB ARG A 271 -9.702 19.008 2.862 1.00 0.68 C ATOM 313 CG ARG A 271 -10.800 18.893 3.909 1.00 0.70 C ATOM 314 CD ARG A 271 -10.345 18.106 5.129 1.00 0.91 C ATOM 315 NE ARG A 271 -9.282 18.784 5.865 1.00 1.07 N ATOM 316 CZ ARG A 271 -8.797 18.351 7.008 1.00 1.33 C ATOM 317 NH1 ARG A 271 -9.252 17.252 7.546 1.00 1.44 N ATOM 318 NH2 ARG A 271 -7.856 19.016 7.620 1.00 1.59 N ATOM 0 H ARG A 271 -8.254 19.253 0.837 1.00 0.67 H new ATOM 0 HA ARG A 271 -11.093 19.464 1.287 1.00 0.54 H new ATOM 0 HB2 ARG A 271 -9.402 18.008 2.550 1.00 0.68 H new ATOM 0 HB3 ARG A 271 -8.828 19.476 3.314 1.00 0.68 H new ATOM 0 HG2 ARG A 271 -11.113 19.891 4.217 1.00 0.70 H new ATOM 0 HG3 ARG A 271 -11.671 18.408 3.469 1.00 0.70 H new ATOM 0 HD2 ARG A 271 -11.195 17.944 5.791 1.00 0.91 H new ATOM 0 HD3 ARG A 271 -9.995 17.123 4.814 1.00 0.91 H new ATOM 0 HE ARG A 271 -8.894 19.641 5.471 1.00 1.07 H new ATOM 0 HH11 ARG A 271 -9.989 16.723 7.079 1.00 1.44 H new ATOM 0 HH12 ARG A 271 -8.871 16.922 8.433 1.00 1.44 H new ATOM 0 HH21 ARG A 271 -7.492 19.877 7.212 1.00 1.59 H new ATOM 0 HH22 ARG A 271 -7.484 18.675 8.506 1.00 1.59 H new ATOM 332 N ALA A 272 -10.888 22.059 1.073 1.00 0.74 N ATOM 333 CA ALA A 272 -11.096 23.500 1.257 1.00 1.03 C ATOM 334 C ALA A 272 -11.908 23.823 2.521 1.00 1.05 C ATOM 335 O ALA A 272 -11.734 24.881 3.126 1.00 1.30 O ATOM 336 CB ALA A 272 -11.781 24.087 0.031 1.00 1.36 C ATOM 0 H ALA A 272 -11.267 21.694 0.199 1.00 0.74 H new ATOM 0 HA ALA A 272 -10.113 23.954 1.384 1.00 1.03 H new ATOM 0 HB1 ALA A 272 -11.932 25.157 0.176 1.00 1.36 H new ATOM 0 HB2 ALA A 272 -11.157 23.924 -0.848 1.00 1.36 H new ATOM 0 HB3 ALA A 272 -12.746 23.601 -0.114 1.00 1.36 H new ATOM 342 N SER A 273 -12.796 22.917 2.919 1.00 0.91 N ATOM 343 CA SER A 273 -13.618 23.128 4.114 1.00 1.00 C ATOM 344 C SER A 273 -13.856 21.830 4.868 1.00 0.86 C ATOM 345 O SER A 273 -13.267 20.797 4.552 1.00 0.76 O ATOM 346 CB SER A 273 -14.953 23.776 3.758 1.00 1.39 C ATOM 347 OG SER A 273 -14.759 25.040 3.145 1.00 1.65 O ATOM 0 H SER A 273 -12.967 22.034 2.438 1.00 0.91 H new ATOM 0 HA SER A 273 -13.063 23.804 4.765 1.00 1.00 H new ATOM 0 HB2 SER A 273 -15.510 23.124 3.085 1.00 1.39 H new ATOM 0 HB3 SER A 273 -15.555 23.894 4.659 1.00 1.39 H new ATOM 0 HG SER A 273 -15.629 25.434 2.925 1.00 1.65 H new ATOM 353 N LEU A 274 -14.685 21.921 5.906 1.00 1.03 N ATOM 354 CA LEU A 274 -14.974 20.789 6.786 1.00 1.12 C ATOM 355 C LEU A 274 -13.688 20.240 7.458 1.00 0.95 C ATOM 356 O LEU A 274 -13.550 19.021 7.605 1.00 1.11 O ATOM 357 CB LEU A 274 -15.682 19.667 6.009 1.00 1.32 C ATOM 358 CG LEU A 274 -17.047 20.032 5.415 1.00 1.65 C ATOM 359 CD1 LEU A 274 -17.606 18.867 4.613 1.00 1.90 C ATOM 360 CD2 LEU A 274 -18.022 20.434 6.512 1.00 1.91 C ATOM 0 H LEU A 274 -15.174 22.779 6.161 1.00 1.03 H new ATOM 0 HA LEU A 274 -15.635 21.151 7.573 1.00 1.12 H new ATOM 0 HB2 LEU A 274 -15.029 19.342 5.199 1.00 1.32 H new ATOM 0 HB3 LEU A 274 -15.812 18.814 6.675 1.00 1.32 H new ATOM 0 HG LEU A 274 -16.912 20.883 4.747 1.00 1.65 H new ATOM 0 HD11 LEU A 274 -18.576 19.143 4.198 1.00 1.90 H new ATOM 0 HD12 LEU A 274 -16.921 18.622 3.802 1.00 1.90 H new ATOM 0 HD13 LEU A 274 -17.723 18.000 5.264 1.00 1.90 H new ATOM 0 HD21 LEU A 274 -18.984 20.689 6.068 1.00 1.91 H new ATOM 0 HD22 LEU A 274 -18.151 19.604 7.206 1.00 1.91 H new ATOM 0 HD23 LEU A 274 -17.630 21.298 7.049 1.00 1.91 H new ATOM 372 N PRO A 275 -12.717 21.119 7.868 1.00 0.81 N ATOM 373 CA PRO A 275 -11.451 20.679 8.503 1.00 0.89 C ATOM 374 C PRO A 275 -11.634 19.722 9.687 1.00 1.16 C ATOM 375 O PRO A 275 -12.459 19.952 10.572 1.00 1.30 O ATOM 376 CB PRO A 275 -10.833 21.991 8.987 1.00 1.00 C ATOM 377 CG PRO A 275 -11.323 22.990 8.012 1.00 0.94 C ATOM 378 CD PRO A 275 -12.744 22.600 7.730 1.00 0.86 C ATOM 0 HA PRO A 275 -10.844 20.112 7.797 1.00 0.89 H new ATOM 0 HB2 PRO A 275 -11.150 22.233 10.002 1.00 1.00 H new ATOM 0 HB3 PRO A 275 -9.744 21.941 8.997 1.00 1.00 H new ATOM 0 HG2 PRO A 275 -11.265 23.999 8.420 1.00 0.94 H new ATOM 0 HG3 PRO A 275 -10.724 22.979 7.102 1.00 0.94 H new ATOM 0 HD2 PRO A 275 -13.436 23.059 8.436 1.00 0.86 H new ATOM 0 HD3 PRO A 275 -13.057 22.907 6.732 1.00 0.86 H new ATOM 386 N LYS A 276 -10.838 18.649 9.688 1.00 1.34 N ATOM 387 CA LYS A 276 -10.877 17.635 10.749 1.00 1.67 C ATOM 388 C LYS A 276 -9.479 17.053 10.994 1.00 1.92 C ATOM 389 O LYS A 276 -9.173 16.709 12.154 1.00 2.26 O ATOM 390 CB LYS A 276 -11.837 16.498 10.372 1.00 1.78 C ATOM 391 CG LYS A 276 -13.287 16.935 10.236 1.00 1.79 C ATOM 392 CD LYS A 276 -14.153 15.827 9.664 1.00 2.02 C ATOM 393 CE LYS A 276 -15.582 16.298 9.444 1.00 2.20 C ATOM 394 NZ LYS A 276 -15.644 17.497 8.563 1.00 2.05 N ATOM 395 OXT LYS A 276 -8.703 16.946 10.010 1.00 1.88 O ATOM 0 H LYS A 276 -10.151 18.458 8.958 1.00 1.34 H new ATOM 0 HA LYS A 276 -11.229 18.119 11.660 1.00 1.67 H new ATOM 0 HB2 LYS A 276 -11.511 16.058 9.430 1.00 1.78 H new ATOM 0 HB3 LYS A 276 -11.773 15.716 11.128 1.00 1.78 H new ATOM 0 HG2 LYS A 276 -13.672 17.231 11.212 1.00 1.79 H new ATOM 0 HG3 LYS A 276 -13.344 17.812 9.591 1.00 1.79 H new ATOM 0 HD2 LYS A 276 -13.731 15.485 8.719 1.00 2.02 H new ATOM 0 HD3 LYS A 276 -14.150 14.974 10.342 1.00 2.02 H new ATOM 0 HE2 LYS A 276 -16.165 15.491 9.000 1.00 2.20 H new ATOM 0 HE3 LYS A 276 -16.039 16.531 10.406 1.00 2.20 H new ATOM 0 HZ1 LYS A 276 -15.843 18.340 9.138 1.00 2.05 H new ATOM 0 HZ2 LYS A 276 -14.733 17.617 8.076 1.00 2.05 H new ATOM 0 HZ3 LYS A 276 -16.399 17.372 7.859 1.00 2.05 H new TER 409 LYS A 276