USER MOD reduce.3.24.130724 H: found=0, std=0, add=210, rem=0, adj=9 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= 0.694 X(o=1.5,f=1.6) USER MOD Set 1.2: A 273 SER OG : rot 120:sc= 0.781 USER MOD Single : A 258 THR OG1 : rot -97:sc= 1.05 USER MOD Single : A 259 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 262 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 263 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 264 THR OG1 : rot 180:sc= 0 USER MOD Single : A 265 THR OG1 : rot 180:sc= 0 USER MOD Single : A 267 SER OG : rot 12:sc= 0.285 USER MOD Single : A 268 SER OG : rot 180:sc= 0 USER MOD Single : A 270 SER OG : rot -171:sc= 0.645 USER MOD Single : A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 249 4.167 -11.688 1.475 1.00 2.29 N ATOM 2 CA ALA A 249 4.399 -11.189 0.094 1.00 1.77 C ATOM 3 C ALA A 249 3.650 -9.880 -0.137 1.00 1.27 C ATOM 4 O ALA A 249 2.649 -9.608 0.527 1.00 1.51 O ATOM 5 CB ALA A 249 3.973 -12.231 -0.932 1.00 2.17 C ATOM 0 HA ALA A 249 5.466 -11.003 -0.026 1.00 1.77 H new ATOM 0 HB1 ALA A 249 4.151 -11.847 -1.936 1.00 2.17 H new ATOM 0 HB2 ALA A 249 4.551 -13.144 -0.785 1.00 2.17 H new ATOM 0 HB3 ALA A 249 2.912 -12.450 -0.810 1.00 2.17 H new ATOM 13 N PRO A 250 4.132 -9.050 -1.074 1.00 0.93 N ATOM 14 CA PRO A 250 3.520 -7.757 -1.398 1.00 0.88 C ATOM 15 C PRO A 250 2.170 -7.899 -2.112 1.00 0.72 C ATOM 16 O PRO A 250 2.083 -7.724 -3.330 1.00 0.66 O ATOM 17 CB PRO A 250 4.552 -7.103 -2.332 1.00 1.29 C ATOM 18 CG PRO A 250 5.794 -7.903 -2.170 1.00 1.40 C ATOM 19 CD PRO A 250 5.321 -9.289 -1.897 1.00 1.24 C ATOM 0 HA PRO A 250 3.301 -7.179 -0.500 1.00 0.88 H new ATOM 0 HB2 PRO A 250 4.209 -7.115 -3.367 1.00 1.29 H new ATOM 0 HB3 PRO A 250 4.719 -6.060 -2.064 1.00 1.29 H new ATOM 0 HG2 PRO A 250 6.409 -7.865 -3.069 1.00 1.40 H new ATOM 0 HG3 PRO A 250 6.404 -7.525 -1.350 1.00 1.40 H new ATOM 0 HD2 PRO A 250 5.081 -9.826 -2.815 1.00 1.24 H new ATOM 0 HD3 PRO A 250 6.070 -9.879 -1.369 1.00 1.24 H new ATOM 27 N ALA A 251 1.124 -8.227 -1.351 1.00 0.77 N ATOM 28 CA ALA A 251 -0.214 -8.396 -1.913 1.00 0.74 C ATOM 29 C ALA A 251 -0.662 -7.143 -2.660 1.00 0.62 C ATOM 30 O ALA A 251 -0.781 -6.068 -2.073 1.00 0.65 O ATOM 31 CB ALA A 251 -1.210 -8.736 -0.819 1.00 0.94 C ATOM 0 H ALA A 251 1.179 -8.380 -0.344 1.00 0.77 H new ATOM 0 HA ALA A 251 -0.175 -9.220 -2.625 1.00 0.74 H new ATOM 0 HB1 ALA A 251 -2.202 -8.858 -1.255 1.00 0.94 H new ATOM 0 HB2 ALA A 251 -0.911 -9.663 -0.330 1.00 0.94 H new ATOM 0 HB3 ALA A 251 -1.233 -7.930 -0.085 1.00 0.94 H new ATOM 37 N ARG A 252 -0.904 -7.308 -3.958 1.00 0.58 N ATOM 38 CA ARG A 252 -1.335 -6.223 -4.832 1.00 0.55 C ATOM 39 C ARG A 252 -0.431 -4.986 -4.696 1.00 0.44 C ATOM 40 O ARG A 252 -0.898 -3.843 -4.609 1.00 0.47 O ATOM 41 CB ARG A 252 -2.789 -5.894 -4.546 1.00 0.69 C ATOM 42 CG ARG A 252 -3.453 -5.091 -5.648 1.00 0.73 C ATOM 43 CD ARG A 252 -3.147 -5.687 -7.017 1.00 0.78 C ATOM 44 NE ARG A 252 -3.981 -5.119 -8.071 1.00 1.02 N ATOM 45 CZ ARG A 252 -5.283 -5.284 -8.146 1.00 1.23 C ATOM 46 NH1 ARG A 252 -5.910 -6.016 -7.262 1.00 1.31 N ATOM 47 NH2 ARG A 252 -5.959 -4.723 -9.114 1.00 1.49 N ATOM 0 H ARG A 252 -0.806 -8.204 -4.435 1.00 0.58 H new ATOM 0 HA ARG A 252 -1.247 -6.550 -5.868 1.00 0.55 H new ATOM 0 HB2 ARG A 252 -3.342 -6.822 -4.399 1.00 0.69 H new ATOM 0 HB3 ARG A 252 -2.850 -5.335 -3.612 1.00 0.69 H new ATOM 0 HG2 ARG A 252 -4.531 -5.070 -5.489 1.00 0.73 H new ATOM 0 HG3 ARG A 252 -3.105 -4.059 -5.611 1.00 0.73 H new ATOM 0 HD2 ARG A 252 -2.097 -5.518 -7.257 1.00 0.78 H new ATOM 0 HD3 ARG A 252 -3.296 -6.766 -6.982 1.00 0.78 H new ATOM 0 HE ARG A 252 -3.526 -4.560 -8.793 1.00 1.02 H new ATOM 0 HH11 ARG A 252 -5.389 -6.463 -6.508 1.00 1.31 H new ATOM 0 HH12 ARG A 252 -6.920 -6.140 -7.326 1.00 1.31 H new ATOM 0 HH21 ARG A 252 -5.476 -4.157 -9.812 1.00 1.49 H new ATOM 0 HH22 ARG A 252 -6.969 -4.851 -9.172 1.00 1.49 H new ATOM 61 N VAL A 253 0.873 -5.250 -4.676 1.00 0.39 N ATOM 62 CA VAL A 253 1.899 -4.215 -4.546 1.00 0.36 C ATOM 63 C VAL A 253 1.679 -3.032 -5.495 1.00 0.32 C ATOM 64 O VAL A 253 1.678 -1.882 -5.067 1.00 0.34 O ATOM 65 CB VAL A 253 3.298 -4.820 -4.793 1.00 0.46 C ATOM 66 CG1 VAL A 253 3.381 -5.526 -6.142 1.00 0.53 C ATOM 67 CG2 VAL A 253 4.377 -3.756 -4.665 1.00 0.60 C ATOM 0 H VAL A 253 1.252 -6.194 -4.750 1.00 0.39 H new ATOM 0 HA VAL A 253 1.827 -3.831 -3.528 1.00 0.36 H new ATOM 0 HB VAL A 253 3.468 -5.574 -4.025 1.00 0.46 H new ATOM 0 HG11 VAL A 253 4.381 -5.937 -6.276 1.00 0.53 H new ATOM 0 HG12 VAL A 253 2.649 -6.333 -6.176 1.00 0.53 H new ATOM 0 HG13 VAL A 253 3.172 -4.813 -6.939 1.00 0.53 H new ATOM 0 HG21 VAL A 253 5.354 -4.205 -4.843 1.00 0.60 H new ATOM 0 HG22 VAL A 253 4.201 -2.969 -5.398 1.00 0.60 H new ATOM 0 HG23 VAL A 253 4.351 -3.330 -3.662 1.00 0.60 H new ATOM 77 N GLY A 254 1.506 -3.335 -6.774 1.00 0.36 N ATOM 78 CA GLY A 254 1.299 -2.300 -7.789 1.00 0.41 C ATOM 79 C GLY A 254 0.207 -1.301 -7.424 1.00 0.40 C ATOM 80 O GLY A 254 0.440 -0.087 -7.419 1.00 0.42 O ATOM 0 H GLY A 254 1.504 -4.288 -7.138 1.00 0.36 H new ATOM 0 HA2 GLY A 254 2.235 -1.763 -7.945 1.00 0.41 H new ATOM 0 HA3 GLY A 254 1.043 -2.776 -8.735 1.00 0.41 H new ATOM 84 N LEU A 255 -0.979 -1.803 -7.093 1.00 0.43 N ATOM 85 CA LEU A 255 -2.084 -0.932 -6.704 1.00 0.48 C ATOM 86 C LEU A 255 -1.761 -0.214 -5.398 1.00 0.42 C ATOM 87 O LEU A 255 -2.033 0.975 -5.251 1.00 0.45 O ATOM 88 CB LEU A 255 -3.384 -1.718 -6.554 1.00 0.60 C ATOM 89 CG LEU A 255 -4.495 -1.311 -7.524 1.00 0.78 C ATOM 90 CD1 LEU A 255 -5.796 -2.003 -7.160 1.00 0.92 C ATOM 91 CD2 LEU A 255 -4.676 0.200 -7.530 1.00 0.89 C ATOM 0 H LEU A 255 -1.199 -2.799 -7.086 1.00 0.43 H new ATOM 0 HA LEU A 255 -2.219 -0.195 -7.496 1.00 0.48 H new ATOM 0 HB2 LEU A 255 -3.170 -2.778 -6.693 1.00 0.60 H new ATOM 0 HB3 LEU A 255 -3.749 -1.598 -5.534 1.00 0.60 H new ATOM 0 HG LEU A 255 -4.207 -1.624 -8.528 1.00 0.78 H new ATOM 0 HD11 LEU A 255 -6.576 -1.703 -7.860 1.00 0.92 H new ATOM 0 HD12 LEU A 255 -5.660 -3.083 -7.210 1.00 0.92 H new ATOM 0 HD13 LEU A 255 -6.088 -1.721 -6.148 1.00 0.92 H new ATOM 0 HD21 LEU A 255 -5.471 0.469 -8.226 1.00 0.89 H new ATOM 0 HD22 LEU A 255 -4.941 0.539 -6.528 1.00 0.89 H new ATOM 0 HD23 LEU A 255 -3.746 0.677 -7.840 1.00 0.89 H new ATOM 103 N GLY A 256 -1.165 -0.942 -4.459 1.00 0.38 N ATOM 104 CA GLY A 256 -0.800 -0.352 -3.185 1.00 0.39 C ATOM 105 C GLY A 256 0.183 0.801 -3.332 1.00 0.34 C ATOM 106 O GLY A 256 -0.059 1.894 -2.821 1.00 0.38 O ATOM 0 H GLY A 256 -0.929 -1.929 -4.558 1.00 0.38 H new ATOM 0 HA2 GLY A 256 -1.700 0.005 -2.683 1.00 0.39 H new ATOM 0 HA3 GLY A 256 -0.362 -1.119 -2.546 1.00 0.39 H new ATOM 110 N ILE A 257 1.292 0.565 -4.038 1.00 0.32 N ATOM 111 CA ILE A 257 2.298 1.610 -4.235 1.00 0.35 C ATOM 112 C ILE A 257 1.751 2.779 -5.060 1.00 0.34 C ATOM 113 O ILE A 257 2.001 3.937 -4.726 1.00 0.39 O ATOM 114 CB ILE A 257 3.614 1.071 -4.857 1.00 0.43 C ATOM 115 CG1 ILE A 257 3.386 0.428 -6.229 1.00 0.45 C ATOM 116 CG2 ILE A 257 4.271 0.077 -3.913 1.00 0.52 C ATOM 117 CD1 ILE A 257 3.784 1.314 -7.391 1.00 0.53 C ATOM 0 H ILE A 257 1.514 -0.328 -4.477 1.00 0.32 H new ATOM 0 HA ILE A 257 2.541 1.979 -3.239 1.00 0.35 H new ATOM 0 HB ILE A 257 4.277 1.924 -5.005 1.00 0.43 H new ATOM 0 HG12 ILE A 257 3.951 -0.502 -6.283 1.00 0.45 H new ATOM 0 HG13 ILE A 257 2.332 0.167 -6.327 1.00 0.45 H new ATOM 0 HG21 ILE A 257 5.193 -0.294 -4.360 1.00 0.52 H new ATOM 0 HG22 ILE A 257 4.499 0.569 -2.967 1.00 0.52 H new ATOM 0 HG23 ILE A 257 3.593 -0.757 -3.734 1.00 0.52 H new ATOM 0 HD11 ILE A 257 3.594 0.792 -8.329 1.00 0.53 H new ATOM 0 HD12 ILE A 257 3.200 2.234 -7.363 1.00 0.53 H new ATOM 0 HD13 ILE A 257 4.845 1.555 -7.318 1.00 0.53 H new ATOM 129 N THR A 258 0.984 2.493 -6.119 1.00 0.34 N ATOM 130 CA THR A 258 0.407 3.566 -6.936 1.00 0.41 C ATOM 131 C THR A 258 -0.589 4.390 -6.120 1.00 0.40 C ATOM 132 O THR A 258 -0.634 5.618 -6.236 1.00 0.43 O ATOM 133 CB THR A 258 -0.286 3.045 -8.213 1.00 0.50 C ATOM 134 OG1 THR A 258 -1.166 1.960 -7.899 1.00 0.52 O ATOM 135 CG2 THR A 258 0.739 2.597 -9.244 1.00 0.58 C ATOM 0 H THR A 258 0.752 1.548 -6.426 1.00 0.34 H new ATOM 0 HA THR A 258 1.243 4.192 -7.247 1.00 0.41 H new ATOM 0 HB THR A 258 -0.868 3.864 -8.636 1.00 0.50 H new ATOM 0 HG1 THR A 258 -0.709 1.109 -8.067 1.00 0.52 H new ATOM 0 HG21 THR A 258 0.225 2.234 -10.134 1.00 0.58 H new ATOM 0 HG22 THR A 258 1.378 3.439 -9.511 1.00 0.58 H new ATOM 0 HG23 THR A 258 1.349 1.797 -8.826 1.00 0.58 H new ATOM 143 N THR A 259 -1.367 3.716 -5.271 1.00 0.42 N ATOM 144 CA THR A 259 -2.337 4.399 -4.415 1.00 0.46 C ATOM 145 C THR A 259 -1.612 5.292 -3.414 1.00 0.45 C ATOM 146 O THR A 259 -1.935 6.471 -3.278 1.00 0.50 O ATOM 147 CB THR A 259 -3.236 3.404 -3.646 1.00 0.52 C ATOM 148 OG1 THR A 259 -3.933 2.556 -4.566 1.00 0.56 O ATOM 149 CG2 THR A 259 -4.246 4.138 -2.775 1.00 0.64 C ATOM 0 H THR A 259 -1.344 2.702 -5.158 1.00 0.42 H new ATOM 0 HA THR A 259 -2.974 4.999 -5.065 1.00 0.46 H new ATOM 0 HB THR A 259 -2.594 2.801 -3.005 1.00 0.52 H new ATOM 0 HG1 THR A 259 -3.320 1.873 -4.910 1.00 0.56 H new ATOM 0 HG21 THR A 259 -4.865 3.413 -2.246 1.00 0.64 H new ATOM 0 HG22 THR A 259 -3.719 4.761 -2.053 1.00 0.64 H new ATOM 0 HG23 THR A 259 -4.879 4.766 -3.402 1.00 0.64 H new ATOM 157 N VAL A 260 -0.608 4.731 -2.735 1.00 0.45 N ATOM 158 CA VAL A 260 0.178 5.495 -1.769 1.00 0.48 C ATOM 159 C VAL A 260 0.855 6.690 -2.450 1.00 0.44 C ATOM 160 O VAL A 260 0.809 7.811 -1.940 1.00 0.49 O ATOM 161 CB VAL A 260 1.245 4.616 -1.080 1.00 0.53 C ATOM 162 CG1 VAL A 260 2.145 5.452 -0.181 1.00 0.61 C ATOM 163 CG2 VAL A 260 0.581 3.508 -0.279 1.00 0.59 C ATOM 0 H VAL A 260 -0.323 3.757 -2.837 1.00 0.45 H new ATOM 0 HA VAL A 260 -0.510 5.857 -1.005 1.00 0.48 H new ATOM 0 HB VAL A 260 1.865 4.166 -1.856 1.00 0.53 H new ATOM 0 HG11 VAL A 260 2.887 4.808 0.291 1.00 0.61 H new ATOM 0 HG12 VAL A 260 2.651 6.211 -0.777 1.00 0.61 H new ATOM 0 HG13 VAL A 260 1.543 5.936 0.588 1.00 0.61 H new ATOM 0 HG21 VAL A 260 1.346 2.897 0.201 1.00 0.59 H new ATOM 0 HG22 VAL A 260 -0.064 3.946 0.483 1.00 0.59 H new ATOM 0 HG23 VAL A 260 -0.016 2.885 -0.945 1.00 0.59 H new ATOM 173 N LEU A 261 1.457 6.445 -3.617 1.00 0.40 N ATOM 174 CA LEU A 261 2.120 7.501 -4.380 1.00 0.41 C ATOM 175 C LEU A 261 1.121 8.612 -4.721 1.00 0.40 C ATOM 176 O LEU A 261 1.406 9.796 -4.549 1.00 0.45 O ATOM 177 CB LEU A 261 2.730 6.922 -5.664 1.00 0.47 C ATOM 178 CG LEU A 261 4.094 7.497 -6.073 1.00 0.79 C ATOM 179 CD1 LEU A 261 3.985 8.974 -6.425 1.00 1.35 C ATOM 180 CD2 LEU A 261 5.111 7.288 -4.962 1.00 1.30 C ATOM 0 H LEU A 261 1.498 5.524 -4.053 1.00 0.40 H new ATOM 0 HA LEU A 261 2.920 7.924 -3.773 1.00 0.41 H new ATOM 0 HB2 LEU A 261 2.833 5.844 -5.541 1.00 0.47 H new ATOM 0 HB3 LEU A 261 2.028 7.084 -6.482 1.00 0.47 H new ATOM 0 HG LEU A 261 4.432 6.965 -6.962 1.00 0.79 H new ATOM 0 HD11 LEU A 261 4.966 9.353 -6.711 1.00 1.35 H new ATOM 0 HD12 LEU A 261 3.291 9.100 -7.256 1.00 1.35 H new ATOM 0 HD13 LEU A 261 3.619 9.528 -5.560 1.00 1.35 H new ATOM 0 HD21 LEU A 261 6.073 7.701 -5.267 1.00 1.30 H new ATOM 0 HD22 LEU A 261 4.770 7.792 -4.057 1.00 1.30 H new ATOM 0 HD23 LEU A 261 5.220 6.222 -4.764 1.00 1.30 H new ATOM 192 N THR A 262 -0.063 8.210 -5.178 1.00 0.39 N ATOM 193 CA THR A 262 -1.130 9.153 -5.522 1.00 0.44 C ATOM 194 C THR A 262 -1.541 9.971 -4.300 1.00 0.45 C ATOM 195 O THR A 262 -1.615 11.202 -4.350 1.00 0.50 O ATOM 196 CB THR A 262 -2.373 8.413 -6.061 1.00 0.51 C ATOM 197 OG1 THR A 262 -2.026 7.621 -7.206 1.00 0.54 O ATOM 198 CG2 THR A 262 -3.469 9.397 -6.435 1.00 0.61 C ATOM 0 H THR A 262 -0.311 7.231 -5.320 1.00 0.39 H new ATOM 0 HA THR A 262 -0.740 9.815 -6.295 1.00 0.44 H new ATOM 0 HB THR A 262 -2.743 7.760 -5.271 1.00 0.51 H new ATOM 0 HG1 THR A 262 -1.729 6.734 -6.913 1.00 0.54 H new ATOM 0 HG21 THR A 262 -4.334 8.852 -6.812 1.00 0.61 H new ATOM 0 HG22 THR A 262 -3.758 9.972 -5.555 1.00 0.61 H new ATOM 0 HG23 THR A 262 -3.102 10.074 -7.207 1.00 0.61 H new ATOM 206 N MET A 263 -1.803 9.274 -3.200 1.00 0.47 N ATOM 207 CA MET A 263 -2.203 9.915 -1.949 1.00 0.52 C ATOM 208 C MET A 263 -1.130 10.881 -1.434 1.00 0.49 C ATOM 209 O MET A 263 -1.441 12.004 -1.041 1.00 0.54 O ATOM 210 CB MET A 263 -2.503 8.861 -0.879 1.00 0.62 C ATOM 211 CG MET A 263 -3.706 7.993 -1.201 1.00 0.72 C ATOM 212 SD MET A 263 -5.223 8.952 -1.361 1.00 0.89 S ATOM 213 CE MET A 263 -6.389 7.674 -1.819 1.00 1.09 C ATOM 0 H MET A 263 -1.745 8.257 -3.148 1.00 0.47 H new ATOM 0 HA MET A 263 -3.105 10.491 -2.156 1.00 0.52 H new ATOM 0 HB2 MET A 263 -1.628 8.223 -0.754 1.00 0.62 H new ATOM 0 HB3 MET A 263 -2.671 9.361 0.075 1.00 0.62 H new ATOM 0 HG2 MET A 263 -3.522 7.452 -2.129 1.00 0.72 H new ATOM 0 HG3 MET A 263 -3.832 7.247 -0.417 1.00 0.72 H new ATOM 0 HE1 MET A 263 -7.377 8.114 -1.954 1.00 1.09 H new ATOM 0 HE2 MET A 263 -6.070 7.207 -2.751 1.00 1.09 H new ATOM 0 HE3 MET A 263 -6.432 6.921 -1.032 1.00 1.09 H new ATOM 223 N THR A 264 0.132 10.446 -1.418 1.00 0.48 N ATOM 224 CA THR A 264 1.211 11.304 -0.923 1.00 0.52 C ATOM 225 C THR A 264 1.492 12.501 -1.845 1.00 0.49 C ATOM 226 O THR A 264 1.739 13.604 -1.358 1.00 0.59 O ATOM 227 CB THR A 264 2.528 10.529 -0.666 1.00 0.60 C ATOM 228 OG1 THR A 264 3.495 11.403 -0.075 1.00 0.72 O ATOM 229 CG2 THR A 264 3.109 9.944 -1.944 1.00 0.58 C ATOM 0 H THR A 264 0.429 9.523 -1.735 1.00 0.48 H new ATOM 0 HA THR A 264 0.845 11.683 0.031 1.00 0.52 H new ATOM 0 HB THR A 264 2.292 9.705 0.007 1.00 0.60 H new ATOM 0 HG1 THR A 264 4.326 10.909 0.088 1.00 0.72 H new ATOM 0 HG21 THR A 264 4.031 9.410 -1.714 1.00 0.58 H new ATOM 0 HG22 THR A 264 2.391 9.254 -2.387 1.00 0.58 H new ATOM 0 HG23 THR A 264 3.322 10.748 -2.648 1.00 0.58 H new ATOM 237 N THR A 265 1.464 12.294 -3.166 1.00 0.43 N ATOM 238 CA THR A 265 1.731 13.392 -4.105 1.00 0.47 C ATOM 239 C THR A 265 0.617 14.443 -4.077 1.00 0.45 C ATOM 240 O THR A 265 0.884 15.638 -4.206 1.00 0.55 O ATOM 241 CB THR A 265 1.952 12.904 -5.561 1.00 0.53 C ATOM 242 OG1 THR A 265 2.400 13.994 -6.377 1.00 0.67 O ATOM 243 CG2 THR A 265 0.684 12.321 -6.169 1.00 0.52 C ATOM 0 H THR A 265 1.263 11.395 -3.604 1.00 0.43 H new ATOM 0 HA THR A 265 2.661 13.848 -3.764 1.00 0.47 H new ATOM 0 HB THR A 265 2.706 12.117 -5.527 1.00 0.53 H new ATOM 0 HG1 THR A 265 2.539 13.680 -7.295 1.00 0.67 H new ATOM 0 HG21 THR A 265 0.887 11.993 -7.188 1.00 0.52 H new ATOM 0 HG22 THR A 265 0.352 11.471 -5.573 1.00 0.52 H new ATOM 0 HG23 THR A 265 -0.097 13.082 -6.181 1.00 0.52 H new ATOM 251 N GLN A 266 -0.626 14.000 -3.905 1.00 0.40 N ATOM 252 CA GLN A 266 -1.760 14.919 -3.854 1.00 0.42 C ATOM 253 C GLN A 266 -1.898 15.546 -2.461 1.00 0.44 C ATOM 254 O GLN A 266 -2.279 16.712 -2.334 1.00 0.50 O ATOM 255 CB GLN A 266 -3.057 14.203 -4.244 1.00 0.47 C ATOM 256 CG GLN A 266 -4.277 15.113 -4.241 1.00 0.54 C ATOM 257 CD GLN A 266 -5.542 14.411 -4.699 1.00 0.68 C ATOM 258 OE1 GLN A 266 -5.889 13.346 -4.203 1.00 0.80 O ATOM 259 NE2 GLN A 266 -6.254 15.017 -5.631 1.00 0.83 N ATOM 0 H GLN A 266 -0.873 13.016 -3.799 1.00 0.40 H new ATOM 0 HA GLN A 266 -1.574 15.718 -4.572 1.00 0.42 H new ATOM 0 HB2 GLN A 266 -2.939 13.770 -5.237 1.00 0.47 H new ATOM 0 HB3 GLN A 266 -3.228 13.377 -3.554 1.00 0.47 H new ATOM 0 HG2 GLN A 266 -4.429 15.504 -3.235 1.00 0.54 H new ATOM 0 HG3 GLN A 266 -4.087 15.968 -4.890 1.00 0.54 H new ATOM 0 HE21 GLN A 266 -5.934 15.903 -6.021 1.00 0.83 H new ATOM 0 HE22 GLN A 266 -7.124 14.599 -5.961 1.00 0.83 H new ATOM 268 N SER A 267 -1.595 14.759 -1.423 1.00 0.50 N ATOM 269 CA SER A 267 -1.690 15.221 -0.032 1.00 0.60 C ATOM 270 C SER A 267 -3.132 15.609 0.325 1.00 0.63 C ATOM 271 O SER A 267 -4.055 14.816 0.144 1.00 0.70 O ATOM 272 CB SER A 267 -0.731 16.394 0.216 1.00 0.70 C ATOM 273 OG SER A 267 0.620 16.006 0.024 1.00 0.78 O ATOM 0 H SER A 267 -1.280 13.794 -1.520 1.00 0.50 H new ATOM 0 HA SER A 267 -1.397 14.396 0.617 1.00 0.60 H new ATOM 0 HB2 SER A 267 -0.975 17.215 -0.459 1.00 0.70 H new ATOM 0 HB3 SER A 267 -0.864 16.766 1.232 1.00 0.70 H new ATOM 0 HG SER A 267 0.650 15.130 -0.414 1.00 0.78 H new ATOM 279 N SER A 268 -3.331 16.830 0.827 1.00 0.69 N ATOM 280 CA SER A 268 -4.671 17.306 1.201 1.00 0.78 C ATOM 281 C SER A 268 -5.502 17.716 -0.026 1.00 0.66 C ATOM 282 O SER A 268 -6.179 18.747 -0.019 1.00 0.70 O ATOM 283 CB SER A 268 -4.556 18.488 2.168 1.00 0.98 C ATOM 284 OG SER A 268 -3.736 19.514 1.630 1.00 1.02 O ATOM 0 H SER A 268 -2.585 17.508 0.985 1.00 0.69 H new ATOM 0 HA SER A 268 -5.187 16.479 1.688 1.00 0.78 H new ATOM 0 HB2 SER A 268 -5.548 18.886 2.380 1.00 0.98 H new ATOM 0 HB3 SER A 268 -4.140 18.146 3.116 1.00 0.98 H new ATOM 0 HG SER A 268 -3.681 20.257 2.267 1.00 1.02 H new ATOM 290 N GLY A 269 -5.452 16.896 -1.076 1.00 0.62 N ATOM 291 CA GLY A 269 -6.200 17.177 -2.298 1.00 0.60 C ATOM 292 C GLY A 269 -7.688 16.873 -2.185 1.00 0.62 C ATOM 293 O GLY A 269 -8.235 16.102 -2.977 1.00 0.77 O ATOM 0 H GLY A 269 -4.904 16.036 -1.104 1.00 0.62 H new ATOM 0 HA2 GLY A 269 -6.071 18.227 -2.560 1.00 0.60 H new ATOM 0 HA3 GLY A 269 -5.779 16.591 -3.115 1.00 0.60 H new ATOM 297 N SER A 270 -8.341 17.489 -1.201 1.00 0.60 N ATOM 298 CA SER A 270 -9.778 17.300 -0.966 1.00 0.75 C ATOM 299 C SER A 270 -10.615 17.645 -2.198 1.00 0.70 C ATOM 300 O SER A 270 -10.380 18.663 -2.848 1.00 0.55 O ATOM 301 CB SER A 270 -10.236 18.172 0.208 1.00 0.85 C ATOM 302 OG SER A 270 -11.653 18.205 0.305 1.00 1.02 O ATOM 0 H SER A 270 -7.895 18.131 -0.545 1.00 0.60 H new ATOM 0 HA SER A 270 -9.929 16.245 -0.738 1.00 0.75 H new ATOM 0 HB2 SER A 270 -9.815 17.786 1.136 1.00 0.85 H new ATOM 0 HB3 SER A 270 -9.854 19.185 0.082 1.00 0.85 H new ATOM 0 HG SER A 270 -11.920 18.876 0.968 1.00 1.02 H new ATOM 308 N ARG A 271 -11.602 16.793 -2.496 1.00 0.91 N ATOM 309 CA ARG A 271 -12.503 17.002 -3.636 1.00 0.96 C ATOM 310 C ARG A 271 -11.743 17.083 -4.967 1.00 0.94 C ATOM 311 O ARG A 271 -11.962 18.003 -5.755 1.00 0.93 O ATOM 312 CB ARG A 271 -13.326 18.276 -3.413 1.00 0.88 C ATOM 313 CG ARG A 271 -14.282 18.184 -2.232 1.00 1.01 C ATOM 314 CD ARG A 271 -14.613 19.559 -1.672 1.00 0.94 C ATOM 315 NE ARG A 271 -13.512 20.109 -0.879 1.00 0.80 N ATOM 316 CZ ARG A 271 -13.470 21.350 -0.440 1.00 0.77 C ATOM 317 NH1 ARG A 271 -14.424 22.194 -0.721 1.00 0.86 N ATOM 318 NH2 ARG A 271 -12.469 21.761 0.283 1.00 0.80 N ATOM 0 H ARG A 271 -11.798 15.947 -1.960 1.00 0.91 H new ATOM 0 HA ARG A 271 -13.168 16.140 -3.700 1.00 0.96 H new ATOM 0 HB2 ARG A 271 -12.647 19.114 -3.256 1.00 0.88 H new ATOM 0 HB3 ARG A 271 -13.897 18.493 -4.316 1.00 0.88 H new ATOM 0 HG2 ARG A 271 -15.200 17.687 -2.544 1.00 1.01 H new ATOM 0 HG3 ARG A 271 -13.837 17.569 -1.450 1.00 1.01 H new ATOM 0 HD2 ARG A 271 -14.843 20.239 -2.493 1.00 0.94 H new ATOM 0 HD3 ARG A 271 -15.508 19.492 -1.053 1.00 0.94 H new ATOM 0 HE ARG A 271 -12.730 19.494 -0.653 1.00 0.80 H new ATOM 0 HH11 ARG A 271 -15.218 21.896 -1.288 1.00 0.86 H new ATOM 0 HH12 ARG A 271 -14.376 23.152 -0.373 1.00 0.86 H new ATOM 0 HH21 ARG A 271 -11.709 21.120 0.514 1.00 0.80 H new ATOM 0 HH22 ARG A 271 -12.444 22.724 0.619 1.00 0.80 H new ATOM 332 N ALA A 272 -10.846 16.116 -5.200 1.00 1.01 N ATOM 333 CA ALA A 272 -10.038 16.068 -6.425 1.00 1.06 C ATOM 334 C ALA A 272 -9.157 17.316 -6.561 1.00 0.89 C ATOM 335 O ALA A 272 -9.132 17.965 -7.608 1.00 1.00 O ATOM 336 CB ALA A 272 -10.928 15.895 -7.654 1.00 1.29 C ATOM 0 H ALA A 272 -10.661 15.351 -4.551 1.00 1.01 H new ATOM 0 HA ALA A 272 -9.379 15.203 -6.355 1.00 1.06 H new ATOM 0 HB1 ALA A 272 -10.308 15.862 -8.550 1.00 1.29 H new ATOM 0 HB2 ALA A 272 -11.491 14.966 -7.568 1.00 1.29 H new ATOM 0 HB3 ALA A 272 -11.621 16.734 -7.723 1.00 1.29 H new ATOM 342 N SER A 273 -8.443 17.638 -5.477 1.00 0.70 N ATOM 343 CA SER A 273 -7.551 18.806 -5.423 1.00 0.62 C ATOM 344 C SER A 273 -8.314 20.110 -5.564 1.00 0.61 C ATOM 345 O SER A 273 -7.938 20.993 -6.335 1.00 0.76 O ATOM 346 CB SER A 273 -6.442 18.740 -6.474 1.00 0.81 C ATOM 347 OG SER A 273 -5.684 17.538 -6.372 1.00 0.87 O ATOM 0 H SER A 273 -8.466 17.098 -4.612 1.00 0.70 H new ATOM 0 HA SER A 273 -7.087 18.779 -4.437 1.00 0.62 H new ATOM 0 HB2 SER A 273 -6.881 18.809 -7.469 1.00 0.81 H new ATOM 0 HB3 SER A 273 -5.780 19.598 -6.357 1.00 0.81 H new ATOM 0 HG SER A 273 -5.752 17.036 -7.211 1.00 0.87 H new ATOM 353 N LEU A 274 -9.349 20.248 -4.754 1.00 0.52 N ATOM 354 CA LEU A 274 -10.131 21.468 -4.717 1.00 0.55 C ATOM 355 C LEU A 274 -10.222 21.984 -3.266 1.00 0.43 C ATOM 356 O LEU A 274 -11.317 22.251 -2.774 1.00 0.49 O ATOM 357 CB LEU A 274 -11.530 21.216 -5.293 1.00 0.70 C ATOM 358 CG LEU A 274 -12.372 22.470 -5.549 1.00 0.82 C ATOM 359 CD1 LEU A 274 -11.741 23.327 -6.635 1.00 1.04 C ATOM 360 CD2 LEU A 274 -13.793 22.084 -5.928 1.00 1.01 C ATOM 0 H LEU A 274 -9.668 19.524 -4.110 1.00 0.52 H new ATOM 0 HA LEU A 274 -9.643 22.228 -5.327 1.00 0.55 H new ATOM 0 HB2 LEU A 274 -11.425 20.672 -6.232 1.00 0.70 H new ATOM 0 HB3 LEU A 274 -12.075 20.567 -4.607 1.00 0.70 H new ATOM 0 HG LEU A 274 -12.407 23.057 -4.631 1.00 0.82 H new ATOM 0 HD11 LEU A 274 -12.354 24.213 -6.802 1.00 1.04 H new ATOM 0 HD12 LEU A 274 -10.742 23.631 -6.324 1.00 1.04 H new ATOM 0 HD13 LEU A 274 -11.674 22.753 -7.559 1.00 1.04 H new ATOM 0 HD21 LEU A 274 -14.379 22.985 -6.107 1.00 1.01 H new ATOM 0 HD22 LEU A 274 -13.776 21.477 -6.833 1.00 1.01 H new ATOM 0 HD23 LEU A 274 -14.244 21.513 -5.116 1.00 1.01 H new ATOM 372 N PRO A 275 -9.066 22.084 -2.538 1.00 0.43 N ATOM 373 CA PRO A 275 -9.026 22.533 -1.118 1.00 0.55 C ATOM 374 C PRO A 275 -9.566 23.957 -0.855 1.00 0.70 C ATOM 375 O PRO A 275 -8.844 24.819 -0.354 1.00 0.90 O ATOM 376 CB PRO A 275 -7.532 22.483 -0.781 1.00 0.69 C ATOM 377 CG PRO A 275 -6.989 21.468 -1.712 1.00 0.57 C ATOM 378 CD PRO A 275 -7.703 21.716 -3.003 1.00 0.50 C ATOM 0 HA PRO A 275 -9.672 21.899 -0.510 1.00 0.55 H new ATOM 0 HB2 PRO A 275 -7.057 23.453 -0.927 1.00 0.69 H new ATOM 0 HB3 PRO A 275 -7.366 22.200 0.259 1.00 0.69 H new ATOM 0 HG2 PRO A 275 -5.911 21.575 -1.829 1.00 0.57 H new ATOM 0 HG3 PRO A 275 -7.171 20.457 -1.346 1.00 0.57 H new ATOM 0 HD2 PRO A 275 -7.239 22.517 -3.579 1.00 0.50 H new ATOM 0 HD3 PRO A 275 -7.714 20.831 -3.639 1.00 0.50 H new ATOM 386 N LYS A 276 -10.834 24.193 -1.175 1.00 0.72 N ATOM 387 CA LYS A 276 -11.459 25.499 -0.955 1.00 0.89 C ATOM 388 C LYS A 276 -12.606 25.406 0.061 1.00 0.98 C ATOM 389 O LYS A 276 -12.898 24.276 0.527 1.00 0.92 O ATOM 390 CB LYS A 276 -11.986 26.069 -2.274 1.00 0.96 C ATOM 391 CG LYS A 276 -10.901 26.328 -3.304 1.00 1.05 C ATOM 392 CD LYS A 276 -11.484 26.886 -4.591 1.00 1.21 C ATOM 393 CE LYS A 276 -10.398 27.191 -5.607 1.00 1.48 C ATOM 394 NZ LYS A 276 -10.962 27.723 -6.878 1.00 1.76 N ATOM 395 OXT LYS A 276 -13.206 26.454 0.377 1.00 1.28 O ATOM 0 H LYS A 276 -11.453 23.496 -1.589 1.00 0.72 H new ATOM 0 HA LYS A 276 -10.696 26.165 -0.553 1.00 0.89 H new ATOM 0 HB2 LYS A 276 -12.715 25.376 -2.694 1.00 0.96 H new ATOM 0 HB3 LYS A 276 -12.513 27.002 -2.072 1.00 0.96 H new ATOM 0 HG2 LYS A 276 -10.172 27.029 -2.899 1.00 1.05 H new ATOM 0 HG3 LYS A 276 -10.368 25.401 -3.515 1.00 1.05 H new ATOM 0 HD2 LYS A 276 -12.188 26.169 -5.014 1.00 1.21 H new ATOM 0 HD3 LYS A 276 -12.046 27.794 -4.373 1.00 1.21 H new ATOM 0 HE2 LYS A 276 -9.701 27.916 -5.187 1.00 1.48 H new ATOM 0 HE3 LYS A 276 -9.829 26.285 -5.813 1.00 1.48 H new ATOM 0 HZ1 LYS A 276 -10.189 27.919 -7.546 1.00 1.76 H new ATOM 0 HZ2 LYS A 276 -11.608 27.021 -7.292 1.00 1.76 H new ATOM 0 HZ3 LYS A 276 -11.484 28.602 -6.685 1.00 1.76 H new TER 409 LYS A 276