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 76:sc= 1.25 USER MOD Single : A 259 THR OG1 : rot -76:sc= 1.17 USER MOD Single : A 262 THR OG1 : rot 54:sc= 1.3 USER MOD Single : A 263 MET CE :methyl 154:sc= -0.175 (180deg=-0.891) USER MOD Single : A 264 THR OG1 : rot -57:sc= 0.784 USER MOD Single : A 265 THR OG1 : rot 180:sc= 0 USER MOD Single : A 266 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 267 SER OG : rot 180:sc= 0 USER MOD Single : A 268 SER OG : rot -99:sc= 1.15 USER MOD Single : A 270 SER OG : rot 24:sc= 0.759 USER MOD Single : A 273 SER OG : rot 180:sc=-0.00808 USER MOD Single : A 276 LYS NZ :NH3+ -177:sc= -1.07! (180deg=-1.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 249 1.543 -11.826 -11.005 1.00 3.74 N ATOM 2 CA ALA A 249 2.138 -10.463 -10.975 1.00 3.58 C ATOM 3 C ALA A 249 1.770 -9.729 -9.686 1.00 3.24 C ATOM 4 O ALA A 249 0.738 -10.010 -9.077 1.00 3.10 O ATOM 5 CB ALA A 249 1.694 -9.660 -12.189 1.00 3.64 C ATOM 0 HA ALA A 249 3.222 -10.570 -11.005 1.00 3.58 H new ATOM 0 HB1 ALA A 249 2.139 -8.666 -12.150 1.00 3.64 H new ATOM 0 HB2 ALA A 249 2.017 -10.167 -13.098 1.00 3.64 H new ATOM 0 HB3 ALA A 249 0.608 -9.572 -12.189 1.00 3.64 H new ATOM 13 N PRO A 250 2.624 -8.788 -9.248 1.00 3.15 N ATOM 14 CA PRO A 250 2.420 -8.000 -8.021 1.00 2.87 C ATOM 15 C PRO A 250 1.276 -6.980 -8.133 1.00 2.62 C ATOM 16 O PRO A 250 1.488 -5.780 -7.958 1.00 2.49 O ATOM 17 CB PRO A 250 3.763 -7.270 -7.847 1.00 3.00 C ATOM 18 CG PRO A 250 4.711 -7.964 -8.756 1.00 3.33 C ATOM 19 CD PRO A 250 3.877 -8.410 -9.907 1.00 3.39 C ATOM 0 HA PRO A 250 2.138 -8.637 -7.183 1.00 2.87 H new ATOM 0 HB2 PRO A 250 3.673 -6.215 -8.105 1.00 3.00 H new ATOM 0 HB3 PRO A 250 4.105 -7.317 -6.813 1.00 3.00 H new ATOM 0 HG2 PRO A 250 5.509 -7.296 -9.081 1.00 3.33 H new ATOM 0 HG3 PRO A 250 5.186 -8.810 -8.260 1.00 3.33 H new ATOM 0 HD2 PRO A 250 3.730 -7.614 -10.637 1.00 3.39 H new ATOM 0 HD3 PRO A 250 4.328 -9.249 -10.437 1.00 3.39 H new ATOM 27 N ALA A 251 0.068 -7.462 -8.429 1.00 2.59 N ATOM 28 CA ALA A 251 -1.103 -6.590 -8.568 1.00 2.42 C ATOM 29 C ALA A 251 -1.383 -5.802 -7.286 1.00 2.13 C ATOM 30 O ALA A 251 -1.587 -4.589 -7.328 1.00 1.97 O ATOM 31 CB ALA A 251 -2.323 -7.406 -8.965 1.00 2.54 C ATOM 0 H ALA A 251 -0.127 -8.452 -8.578 1.00 2.59 H new ATOM 0 HA ALA A 251 -0.884 -5.868 -9.354 1.00 2.42 H new ATOM 0 HB1 ALA A 251 -3.185 -6.747 -9.065 1.00 2.54 H new ATOM 0 HB2 ALA A 251 -2.134 -7.903 -9.917 1.00 2.54 H new ATOM 0 HB3 ALA A 251 -2.525 -8.154 -8.199 1.00 2.54 H new ATOM 37 N ARG A 252 -1.380 -6.495 -6.147 1.00 2.08 N ATOM 38 CA ARG A 252 -1.623 -5.853 -4.852 1.00 1.85 C ATOM 39 C ARG A 252 -0.523 -4.828 -4.554 1.00 1.77 C ATOM 40 O ARG A 252 -0.797 -3.720 -4.091 1.00 1.55 O ATOM 41 CB ARG A 252 -1.680 -6.912 -3.740 1.00 1.96 C ATOM 42 CG ARG A 252 -2.671 -6.599 -2.623 1.00 1.86 C ATOM 43 CD ARG A 252 -2.314 -5.322 -1.881 1.00 1.70 C ATOM 44 NE ARG A 252 -3.238 -5.036 -0.787 1.00 1.83 N ATOM 45 CZ ARG A 252 -3.242 -3.905 -0.117 1.00 1.88 C ATOM 46 NH1 ARG A 252 -2.432 -2.935 -0.459 1.00 1.83 N ATOM 47 NH2 ARG A 252 -4.071 -3.734 0.880 1.00 2.14 N ATOM 0 H ARG A 252 -1.212 -7.500 -6.093 1.00 2.08 H new ATOM 0 HA ARG A 252 -2.581 -5.334 -4.891 1.00 1.85 H new ATOM 0 HB2 ARG A 252 -1.942 -7.873 -4.183 1.00 1.96 H new ATOM 0 HB3 ARG A 252 -0.686 -7.021 -3.307 1.00 1.96 H new ATOM 0 HG2 ARG A 252 -3.672 -6.505 -3.043 1.00 1.86 H new ATOM 0 HG3 ARG A 252 -2.697 -7.431 -1.919 1.00 1.86 H new ATOM 0 HD2 ARG A 252 -1.302 -5.406 -1.485 1.00 1.70 H new ATOM 0 HD3 ARG A 252 -2.314 -4.486 -2.581 1.00 1.70 H new ATOM 0 HE ARG A 252 -3.917 -5.752 -0.529 1.00 1.83 H new ATOM 0 HH11 ARG A 252 -1.796 -3.056 -1.247 1.00 1.83 H new ATOM 0 HH12 ARG A 252 -2.437 -2.058 0.063 1.00 1.83 H new ATOM 0 HH21 ARG A 252 -4.717 -4.479 1.140 1.00 2.14 H new ATOM 0 HH22 ARG A 252 -4.072 -2.855 1.398 1.00 2.14 H new ATOM 61 N VAL A 253 0.721 -5.204 -4.846 1.00 2.00 N ATOM 62 CA VAL A 253 1.867 -4.322 -4.632 1.00 2.06 C ATOM 63 C VAL A 253 1.767 -3.087 -5.526 1.00 1.95 C ATOM 64 O VAL A 253 1.899 -1.956 -5.055 1.00 1.84 O ATOM 65 CB VAL A 253 3.199 -5.052 -4.912 1.00 2.40 C ATOM 66 CG1 VAL A 253 4.390 -4.145 -4.629 1.00 2.54 C ATOM 67 CG2 VAL A 253 3.291 -6.329 -4.090 1.00 2.53 C ATOM 0 H VAL A 253 0.961 -6.117 -5.233 1.00 2.00 H new ATOM 0 HA VAL A 253 1.852 -4.015 -3.586 1.00 2.06 H new ATOM 0 HB VAL A 253 3.223 -5.318 -5.969 1.00 2.40 H new ATOM 0 HG11 VAL A 253 5.315 -4.684 -4.834 1.00 2.54 H new ATOM 0 HG12 VAL A 253 4.335 -3.263 -5.267 1.00 2.54 H new ATOM 0 HG13 VAL A 253 4.373 -3.838 -3.583 1.00 2.54 H new ATOM 0 HG21 VAL A 253 4.236 -6.830 -4.300 1.00 2.53 H new ATOM 0 HG22 VAL A 253 3.239 -6.083 -3.029 1.00 2.53 H new ATOM 0 HG23 VAL A 253 2.464 -6.990 -4.351 1.00 2.53 H new ATOM 77 N GLY A 254 1.507 -3.317 -6.813 1.00 2.03 N ATOM 78 CA GLY A 254 1.363 -2.222 -7.763 1.00 1.98 C ATOM 79 C GLY A 254 0.247 -1.270 -7.368 1.00 1.68 C ATOM 80 O GLY A 254 0.441 -0.053 -7.335 1.00 1.58 O ATOM 0 H GLY A 254 1.393 -4.247 -7.217 1.00 2.03 H new ATOM 0 HA2 GLY A 254 2.302 -1.673 -7.828 1.00 1.98 H new ATOM 0 HA3 GLY A 254 1.161 -2.626 -8.755 1.00 1.98 H new ATOM 84 N LEU A 255 -0.913 -1.832 -7.032 1.00 1.58 N ATOM 85 CA LEU A 255 -2.056 -1.034 -6.598 1.00 1.34 C ATOM 86 C LEU A 255 -1.723 -0.250 -5.338 1.00 1.15 C ATOM 87 O LEU A 255 -2.044 0.934 -5.215 1.00 1.00 O ATOM 88 CB LEU A 255 -3.257 -1.928 -6.325 1.00 1.39 C ATOM 89 CG LEU A 255 -4.225 -2.060 -7.489 1.00 1.58 C ATOM 90 CD1 LEU A 255 -5.374 -2.977 -7.111 1.00 1.74 C ATOM 91 CD2 LEU A 255 -4.736 -0.685 -7.891 1.00 1.53 C ATOM 0 H LEU A 255 -1.085 -2.837 -7.052 1.00 1.58 H new ATOM 0 HA LEU A 255 -2.296 -0.336 -7.400 1.00 1.34 H new ATOM 0 HB2 LEU A 255 -2.900 -2.921 -6.052 1.00 1.39 H new ATOM 0 HB3 LEU A 255 -3.797 -1.536 -5.463 1.00 1.39 H new ATOM 0 HG LEU A 255 -3.707 -2.499 -8.342 1.00 1.58 H new ATOM 0 HD11 LEU A 255 -6.062 -3.064 -7.952 1.00 1.74 H new ATOM 0 HD12 LEU A 255 -4.984 -3.963 -6.857 1.00 1.74 H new ATOM 0 HD13 LEU A 255 -5.902 -2.563 -6.252 1.00 1.74 H new ATOM 0 HD21 LEU A 255 -5.430 -0.784 -8.726 1.00 1.53 H new ATOM 0 HD22 LEU A 255 -5.249 -0.226 -7.046 1.00 1.53 H new ATOM 0 HD23 LEU A 255 -3.896 -0.058 -8.190 1.00 1.53 H new ATOM 103 N GLY A 256 -1.077 -0.926 -4.398 1.00 1.22 N ATOM 104 CA GLY A 256 -0.707 -0.298 -3.153 1.00 1.17 C ATOM 105 C GLY A 256 0.267 0.856 -3.335 1.00 1.25 C ATOM 106 O GLY A 256 0.015 1.956 -2.852 1.00 1.15 O ATOM 0 H GLY A 256 -0.803 -1.905 -4.480 1.00 1.22 H new ATOM 0 HA2 GLY A 256 -1.606 0.067 -2.656 1.00 1.17 H new ATOM 0 HA3 GLY A 256 -0.260 -1.043 -2.495 1.00 1.17 H new ATOM 110 N ILE A 257 1.374 0.625 -4.041 1.00 1.48 N ATOM 111 CA ILE A 257 2.351 1.692 -4.262 1.00 1.64 C ATOM 112 C ILE A 257 1.747 2.836 -5.086 1.00 1.47 C ATOM 113 O ILE A 257 2.021 4.005 -4.822 1.00 1.51 O ATOM 114 CB ILE A 257 3.663 1.180 -4.918 1.00 1.96 C ATOM 115 CG1 ILE A 257 3.415 0.531 -6.285 1.00 2.01 C ATOM 116 CG2 ILE A 257 4.364 0.198 -3.992 1.00 2.15 C ATOM 117 CD1 ILE A 257 3.674 1.456 -7.457 1.00 2.09 C ATOM 0 H ILE A 257 1.614 -0.272 -4.462 1.00 1.48 H new ATOM 0 HA ILE A 257 2.616 2.074 -3.276 1.00 1.64 H new ATOM 0 HB ILE A 257 4.303 2.047 -5.082 1.00 1.96 H new ATOM 0 HG12 ILE A 257 4.052 -0.348 -6.380 1.00 2.01 H new ATOM 0 HG13 ILE A 257 2.383 0.183 -6.330 1.00 2.01 H new ATOM 0 HG21 ILE A 257 5.282 -0.154 -4.463 1.00 2.15 H new ATOM 0 HG22 ILE A 257 4.605 0.693 -3.052 1.00 2.15 H new ATOM 0 HG23 ILE A 257 3.708 -0.650 -3.797 1.00 2.15 H new ATOM 0 HD11 ILE A 257 3.477 0.926 -8.389 1.00 2.09 H new ATOM 0 HD12 ILE A 257 3.018 2.324 -7.387 1.00 2.09 H new ATOM 0 HD13 ILE A 257 4.713 1.784 -7.439 1.00 2.09 H new ATOM 129 N THR A 258 0.912 2.493 -6.069 1.00 1.36 N ATOM 130 CA THR A 258 0.261 3.498 -6.914 1.00 1.25 C ATOM 131 C THR A 258 -0.687 4.377 -6.096 1.00 0.98 C ATOM 132 O THR A 258 -0.654 5.605 -6.196 1.00 0.98 O ATOM 133 CB THR A 258 -0.531 2.847 -8.069 1.00 1.30 C ATOM 134 OG1 THR A 258 0.338 2.031 -8.864 1.00 1.59 O ATOM 135 CG2 THR A 258 -1.184 3.902 -8.950 1.00 1.28 C ATOM 0 H THR A 258 0.671 1.529 -6.300 1.00 1.36 H new ATOM 0 HA THR A 258 1.056 4.114 -7.334 1.00 1.25 H new ATOM 0 HB THR A 258 -1.314 2.228 -7.631 1.00 1.30 H new ATOM 0 HG1 THR A 258 0.526 1.194 -8.390 1.00 1.59 H new ATOM 0 HG21 THR A 258 -1.735 3.414 -9.754 1.00 1.28 H new ATOM 0 HG22 THR A 258 -1.870 4.501 -8.352 1.00 1.28 H new ATOM 0 HG23 THR A 258 -0.415 4.547 -9.376 1.00 1.28 H new ATOM 143 N THR A 259 -1.524 3.744 -5.274 1.00 0.82 N ATOM 144 CA THR A 259 -2.467 4.480 -4.433 1.00 0.65 C ATOM 145 C THR A 259 -1.726 5.332 -3.410 1.00 0.78 C ATOM 146 O THR A 259 -2.046 6.506 -3.225 1.00 0.80 O ATOM 147 CB THR A 259 -3.459 3.545 -3.712 1.00 0.60 C ATOM 148 OG1 THR A 259 -2.762 2.472 -3.070 1.00 0.70 O ATOM 149 CG2 THR A 259 -4.478 2.983 -4.691 1.00 0.70 C ATOM 0 H THR A 259 -1.568 2.730 -5.173 1.00 0.82 H new ATOM 0 HA THR A 259 -3.041 5.127 -5.096 1.00 0.65 H new ATOM 0 HB THR A 259 -3.984 4.130 -2.956 1.00 0.60 H new ATOM 0 HG1 THR A 259 -2.489 1.812 -3.741 1.00 0.70 H new ATOM 0 HG21 THR A 259 -5.168 2.326 -4.161 1.00 0.70 H new ATOM 0 HG22 THR A 259 -5.035 3.802 -5.147 1.00 0.70 H new ATOM 0 HG23 THR A 259 -3.963 2.418 -5.468 1.00 0.70 H new ATOM 157 N VAL A 260 -0.715 4.747 -2.769 1.00 0.98 N ATOM 158 CA VAL A 260 0.088 5.472 -1.791 1.00 1.22 C ATOM 159 C VAL A 260 0.799 6.655 -2.455 1.00 1.34 C ATOM 160 O VAL A 260 0.719 7.782 -1.965 1.00 1.44 O ATOM 161 CB VAL A 260 1.127 4.553 -1.115 1.00 1.46 C ATOM 162 CG1 VAL A 260 2.100 5.361 -0.269 1.00 1.77 C ATOM 163 CG2 VAL A 260 0.432 3.503 -0.262 1.00 1.43 C ATOM 0 H VAL A 260 -0.435 3.776 -2.910 1.00 0.98 H new ATOM 0 HA VAL A 260 -0.590 5.842 -1.022 1.00 1.22 H new ATOM 0 HB VAL A 260 1.694 4.050 -1.898 1.00 1.46 H new ATOM 0 HG11 VAL A 260 2.822 4.690 0.196 1.00 1.77 H new ATOM 0 HG12 VAL A 260 2.625 6.076 -0.902 1.00 1.77 H new ATOM 0 HG13 VAL A 260 1.551 5.897 0.505 1.00 1.77 H new ATOM 0 HG21 VAL A 260 1.179 2.863 0.208 1.00 1.43 H new ATOM 0 HG22 VAL A 260 -0.161 3.995 0.509 1.00 1.43 H new ATOM 0 HG23 VAL A 260 -0.221 2.897 -0.891 1.00 1.43 H new ATOM 173 N LEU A 261 1.467 6.397 -3.586 1.00 1.39 N ATOM 174 CA LEU A 261 2.169 7.447 -4.331 1.00 1.54 C ATOM 175 C LEU A 261 1.203 8.565 -4.726 1.00 1.37 C ATOM 176 O LEU A 261 1.521 9.748 -4.604 1.00 1.51 O ATOM 177 CB LEU A 261 2.829 6.870 -5.581 1.00 1.66 C ATOM 178 CG LEU A 261 3.761 7.832 -6.312 1.00 1.90 C ATOM 179 CD1 LEU A 261 4.829 8.361 -5.365 1.00 2.18 C ATOM 180 CD2 LEU A 261 4.397 7.144 -7.506 1.00 2.08 C ATOM 0 H LEU A 261 1.536 5.469 -4.005 1.00 1.39 H new ATOM 0 HA LEU A 261 2.942 7.861 -3.683 1.00 1.54 H new ATOM 0 HB2 LEU A 261 3.394 5.982 -5.300 1.00 1.66 H new ATOM 0 HB3 LEU A 261 2.049 6.547 -6.271 1.00 1.66 H new ATOM 0 HG LEU A 261 3.175 8.677 -6.673 1.00 1.90 H new ATOM 0 HD11 LEU A 261 5.485 9.046 -5.903 1.00 2.18 H new ATOM 0 HD12 LEU A 261 4.353 8.888 -4.538 1.00 2.18 H new ATOM 0 HD13 LEU A 261 5.414 7.528 -4.975 1.00 2.18 H new ATOM 0 HD21 LEU A 261 5.059 7.842 -8.018 1.00 2.08 H new ATOM 0 HD22 LEU A 261 4.971 6.282 -7.166 1.00 2.08 H new ATOM 0 HD23 LEU A 261 3.618 6.813 -8.193 1.00 2.08 H new ATOM 192 N THR A 262 0.013 8.174 -5.178 1.00 1.10 N ATOM 193 CA THR A 262 -1.021 9.132 -5.568 1.00 0.96 C ATOM 194 C THR A 262 -1.436 9.983 -4.367 1.00 1.02 C ATOM 195 O THR A 262 -1.488 11.212 -4.442 1.00 1.11 O ATOM 196 CB THR A 262 -2.268 8.409 -6.124 1.00 0.79 C ATOM 197 OG1 THR A 262 -1.918 7.626 -7.275 1.00 0.89 O ATOM 198 CG2 THR A 262 -3.359 9.401 -6.493 1.00 0.80 C ATOM 0 H THR A 262 -0.260 7.197 -5.284 1.00 1.10 H new ATOM 0 HA THR A 262 -0.603 9.770 -6.347 1.00 0.96 H new ATOM 0 HB THR A 262 -2.649 7.752 -5.342 1.00 0.79 H new ATOM 0 HG1 THR A 262 -1.181 7.022 -7.048 1.00 0.89 H new ATOM 0 HG21 THR A 262 -4.224 8.863 -6.881 1.00 0.80 H new ATOM 0 HG22 THR A 262 -3.651 9.967 -5.608 1.00 0.80 H new ATOM 0 HG23 THR A 262 -2.986 10.086 -7.255 1.00 0.80 H new ATOM 206 N MET A 263 -1.717 9.307 -3.255 1.00 1.03 N ATOM 207 CA MET A 263 -2.116 9.971 -2.014 1.00 1.19 C ATOM 208 C MET A 263 -1.030 10.933 -1.513 1.00 1.40 C ATOM 209 O MET A 263 -1.318 12.080 -1.169 1.00 1.50 O ATOM 210 CB MET A 263 -2.416 8.918 -0.943 1.00 1.24 C ATOM 211 CG MET A 263 -2.851 9.499 0.392 1.00 1.45 C ATOM 212 SD MET A 263 -3.166 8.226 1.631 1.00 1.57 S ATOM 213 CE MET A 263 -1.560 7.441 1.736 1.00 1.67 C ATOM 0 H MET A 263 -1.675 8.290 -3.188 1.00 1.03 H new ATOM 0 HA MET A 263 -3.012 10.559 -2.216 1.00 1.19 H new ATOM 0 HB2 MET A 263 -3.198 8.254 -1.310 1.00 1.24 H new ATOM 0 HB3 MET A 263 -1.526 8.308 -0.789 1.00 1.24 H new ATOM 0 HG2 MET A 263 -2.079 10.175 0.759 1.00 1.45 H new ATOM 0 HG3 MET A 263 -3.753 10.093 0.249 1.00 1.45 H new ATOM 0 HE1 MET A 263 -1.442 6.984 2.719 1.00 1.67 H new ATOM 0 HE2 MET A 263 -1.480 6.673 0.967 1.00 1.67 H new ATOM 0 HE3 MET A 263 -0.780 8.187 1.586 1.00 1.67 H new ATOM 223 N THR A 264 0.220 10.467 -1.476 1.00 1.52 N ATOM 224 CA THR A 264 1.331 11.308 -1.012 1.00 1.75 C ATOM 225 C THR A 264 1.809 12.292 -2.095 1.00 1.62 C ATOM 226 O THR A 264 3.012 12.454 -2.321 1.00 1.66 O ATOM 227 CB THR A 264 2.529 10.466 -0.500 1.00 2.02 C ATOM 228 OG1 THR A 264 3.558 11.328 0.000 1.00 2.22 O ATOM 229 CG2 THR A 264 3.109 9.579 -1.594 1.00 1.96 C ATOM 0 H THR A 264 0.489 9.524 -1.757 1.00 1.52 H new ATOM 0 HA THR A 264 0.935 11.885 -0.176 1.00 1.75 H new ATOM 0 HB THR A 264 2.156 9.824 0.298 1.00 2.02 H new ATOM 0 HG1 THR A 264 3.834 11.951 -0.705 1.00 2.22 H new ATOM 0 HG21 THR A 264 3.945 9.007 -1.193 1.00 1.96 H new ATOM 0 HG22 THR A 264 2.340 8.895 -1.953 1.00 1.96 H new ATOM 0 HG23 THR A 264 3.457 10.200 -2.420 1.00 1.96 H new ATOM 237 N THR A 265 0.861 12.967 -2.748 1.00 1.51 N ATOM 238 CA THR A 265 1.187 13.949 -3.790 1.00 1.42 C ATOM 239 C THR A 265 2.081 15.066 -3.239 1.00 1.25 C ATOM 240 O THR A 265 3.019 15.509 -3.901 1.00 1.20 O ATOM 241 CB THR A 265 -0.086 14.563 -4.420 1.00 1.50 C ATOM 242 OG1 THR A 265 0.263 15.650 -5.289 1.00 1.46 O ATOM 243 CG2 THR A 265 -1.058 15.052 -3.353 1.00 1.52 C ATOM 0 H THR A 265 -0.138 12.854 -2.576 1.00 1.51 H new ATOM 0 HA THR A 265 1.730 13.412 -4.568 1.00 1.42 H new ATOM 0 HB THR A 265 -0.578 13.780 -4.996 1.00 1.50 H new ATOM 0 HG1 THR A 265 -0.551 16.029 -5.682 1.00 1.46 H new ATOM 0 HG21 THR A 265 -1.940 15.477 -3.832 1.00 1.52 H new ATOM 0 HG22 THR A 265 -1.356 14.215 -2.721 1.00 1.52 H new ATOM 0 HG23 THR A 265 -0.574 15.814 -2.742 1.00 1.52 H new ATOM 251 N GLN A 266 1.798 15.494 -2.015 1.00 1.26 N ATOM 252 CA GLN A 266 2.589 16.528 -1.363 1.00 1.15 C ATOM 253 C GLN A 266 3.740 15.896 -0.577 1.00 0.88 C ATOM 254 O GLN A 266 3.528 14.968 0.205 1.00 0.93 O ATOM 255 CB GLN A 266 1.710 17.359 -0.428 1.00 1.42 C ATOM 256 CG GLN A 266 2.468 18.448 0.311 1.00 1.45 C ATOM 257 CD GLN A 266 1.574 19.258 1.224 1.00 1.84 C ATOM 258 OE1 GLN A 266 0.940 18.725 2.126 1.00 1.97 O ATOM 259 NE2 GLN A 266 1.522 20.558 0.997 1.00 2.12 N ATOM 0 H GLN A 266 1.024 15.139 -1.453 1.00 1.26 H new ATOM 0 HA GLN A 266 3.003 17.184 -2.129 1.00 1.15 H new ATOM 0 HB2 GLN A 266 0.908 17.816 -1.008 1.00 1.42 H new ATOM 0 HB3 GLN A 266 1.241 16.697 0.300 1.00 1.42 H new ATOM 0 HG2 GLN A 266 3.267 17.996 0.898 1.00 1.45 H new ATOM 0 HG3 GLN A 266 2.941 19.112 -0.412 1.00 1.45 H new ATOM 0 HE21 GLN A 266 2.065 20.965 0.235 1.00 2.12 H new ATOM 0 HE22 GLN A 266 0.939 21.155 1.583 1.00 2.12 H new ATOM 268 N SER A 267 4.953 16.397 -0.787 1.00 0.77 N ATOM 269 CA SER A 267 6.129 15.868 -0.095 1.00 0.79 C ATOM 270 C SER A 267 7.318 16.820 -0.229 1.00 0.79 C ATOM 271 O SER A 267 7.357 17.656 -1.132 1.00 0.88 O ATOM 272 CB SER A 267 6.503 14.491 -0.654 1.00 1.05 C ATOM 273 OG SER A 267 7.527 13.882 0.115 1.00 1.33 O ATOM 0 H SER A 267 5.150 17.166 -1.428 1.00 0.77 H new ATOM 0 HA SER A 267 5.880 15.770 0.962 1.00 0.79 H new ATOM 0 HB2 SER A 267 5.622 13.849 -0.664 1.00 1.05 H new ATOM 0 HB3 SER A 267 6.834 14.594 -1.687 1.00 1.05 H new ATOM 0 HG SER A 267 7.743 13.005 -0.264 1.00 1.33 H new ATOM 279 N SER A 268 8.284 16.690 0.677 1.00 0.86 N ATOM 280 CA SER A 268 9.480 17.540 0.662 1.00 0.98 C ATOM 281 C SER A 268 10.291 17.360 -0.622 1.00 1.03 C ATOM 282 O SER A 268 10.879 18.316 -1.137 1.00 1.18 O ATOM 283 CB SER A 268 10.374 17.229 1.866 1.00 1.19 C ATOM 284 OG SER A 268 11.604 17.940 1.791 1.00 1.37 O ATOM 0 H SER A 268 8.265 16.005 1.433 1.00 0.86 H new ATOM 0 HA SER A 268 9.137 18.573 0.712 1.00 0.98 H new ATOM 0 HB2 SER A 268 9.854 17.493 2.787 1.00 1.19 H new ATOM 0 HB3 SER A 268 10.572 16.158 1.908 1.00 1.19 H new ATOM 0 HG SER A 268 12.304 17.348 1.444 1.00 1.37 H new ATOM 290 N GLY A 269 10.343 16.128 -1.122 1.00 1.09 N ATOM 291 CA GLY A 269 11.111 15.835 -2.325 1.00 1.29 C ATOM 292 C GLY A 269 12.604 15.796 -2.041 1.00 1.44 C ATOM 293 O GLY A 269 13.253 14.767 -2.213 1.00 1.69 O ATOM 0 H GLY A 269 9.866 15.323 -0.715 1.00 1.09 H new ATOM 0 HA2 GLY A 269 10.793 14.877 -2.736 1.00 1.29 H new ATOM 0 HA3 GLY A 269 10.904 16.591 -3.083 1.00 1.29 H new ATOM 297 N SER A 270 13.136 16.917 -1.568 1.00 1.46 N ATOM 298 CA SER A 270 14.549 17.010 -1.218 1.00 1.75 C ATOM 299 C SER A 270 14.716 16.988 0.309 1.00 1.72 C ATOM 300 O SER A 270 13.882 16.415 1.020 1.00 1.61 O ATOM 301 CB SER A 270 15.166 18.285 -1.816 1.00 1.90 C ATOM 302 OG SER A 270 16.572 18.339 -1.602 1.00 2.26 O ATOM 0 H SER A 270 12.608 17.777 -1.418 1.00 1.46 H new ATOM 0 HA SER A 270 15.074 16.151 -1.636 1.00 1.75 H new ATOM 0 HB2 SER A 270 14.959 18.323 -2.885 1.00 1.90 H new ATOM 0 HB3 SER A 270 14.696 19.161 -1.369 1.00 1.90 H new ATOM 0 HG SER A 270 16.918 17.431 -1.473 1.00 2.26 H new ATOM 308 N ARG A 271 15.794 17.610 0.797 1.00 1.92 N ATOM 309 CA ARG A 271 16.113 17.679 2.236 1.00 2.03 C ATOM 310 C ARG A 271 16.536 16.320 2.807 1.00 2.13 C ATOM 311 O ARG A 271 17.567 16.224 3.473 1.00 2.43 O ATOM 312 CB ARG A 271 14.940 18.229 3.059 1.00 1.86 C ATOM 313 CG ARG A 271 15.014 19.724 3.330 1.00 2.18 C ATOM 314 CD ARG A 271 14.806 20.542 2.069 1.00 2.15 C ATOM 315 NE ARG A 271 13.488 20.316 1.481 1.00 1.72 N ATOM 316 CZ ARG A 271 13.007 21.008 0.476 1.00 1.69 C ATOM 317 NH1 ARG A 271 13.711 21.972 -0.059 1.00 2.02 N ATOM 318 NH2 ARG A 271 11.824 20.730 0.001 1.00 1.41 N ATOM 0 H ARG A 271 16.477 18.084 0.206 1.00 1.92 H new ATOM 0 HA ARG A 271 16.955 18.366 2.316 1.00 2.03 H new ATOM 0 HB2 ARG A 271 14.010 18.012 2.534 1.00 1.86 H new ATOM 0 HB3 ARG A 271 14.900 17.700 4.011 1.00 1.86 H new ATOM 0 HG2 ARG A 271 14.259 19.996 4.067 1.00 2.18 H new ATOM 0 HG3 ARG A 271 15.984 19.966 3.763 1.00 2.18 H new ATOM 0 HD2 ARG A 271 14.923 21.601 2.300 1.00 2.15 H new ATOM 0 HD3 ARG A 271 15.576 20.288 1.341 1.00 2.15 H new ATOM 0 HE ARG A 271 12.907 19.576 1.875 1.00 1.72 H new ATOM 0 HH11 ARG A 271 14.639 22.189 0.305 1.00 2.02 H new ATOM 0 HH12 ARG A 271 13.332 22.507 -0.840 1.00 2.02 H new ATOM 0 HH21 ARG A 271 11.274 19.975 0.411 1.00 1.41 H new ATOM 0 HH22 ARG A 271 11.449 21.268 -0.781 1.00 1.41 H new ATOM 332 N ALA A 272 15.728 15.284 2.558 1.00 2.02 N ATOM 333 CA ALA A 272 16.001 13.932 3.056 1.00 2.27 C ATOM 334 C ALA A 272 16.085 13.920 4.584 1.00 2.34 C ATOM 335 O ALA A 272 16.960 13.278 5.167 1.00 2.68 O ATOM 336 CB ALA A 272 17.282 13.377 2.445 1.00 2.61 C ATOM 0 H ALA A 272 14.872 15.358 2.009 1.00 2.02 H new ATOM 0 HA ALA A 272 15.173 13.290 2.755 1.00 2.27 H new ATOM 0 HB1 ALA A 272 17.463 12.373 2.830 1.00 2.61 H new ATOM 0 HB2 ALA A 272 17.180 13.337 1.360 1.00 2.61 H new ATOM 0 HB3 ALA A 272 18.120 14.023 2.707 1.00 2.61 H new ATOM 342 N SER A 273 15.169 14.646 5.225 1.00 2.10 N ATOM 343 CA SER A 273 15.131 14.739 6.687 1.00 2.19 C ATOM 344 C SER A 273 14.602 13.470 7.331 1.00 2.35 C ATOM 345 O SER A 273 13.625 13.491 8.079 1.00 2.31 O ATOM 346 CB SER A 273 14.289 15.926 7.143 1.00 2.02 C ATOM 347 OG SER A 273 14.673 17.116 6.476 1.00 2.11 O ATOM 0 H SER A 273 14.440 15.181 4.753 1.00 2.10 H new ATOM 0 HA SER A 273 16.162 14.882 7.011 1.00 2.19 H new ATOM 0 HB2 SER A 273 13.236 15.723 6.951 1.00 2.02 H new ATOM 0 HB3 SER A 273 14.397 16.059 8.219 1.00 2.02 H new ATOM 0 HG SER A 273 14.115 17.860 6.787 1.00 2.11 H new ATOM 353 N LEU A 274 15.285 12.374 7.074 1.00 2.68 N ATOM 354 CA LEU A 274 14.926 11.099 7.660 1.00 3.01 C ATOM 355 C LEU A 274 16.103 10.482 8.446 1.00 3.41 C ATOM 356 O LEU A 274 16.326 9.274 8.373 1.00 3.82 O ATOM 357 CB LEU A 274 14.432 10.152 6.561 1.00 3.24 C ATOM 358 CG LEU A 274 15.219 10.201 5.247 1.00 3.30 C ATOM 359 CD1 LEU A 274 16.313 9.149 5.226 1.00 3.97 C ATOM 360 CD2 LEU A 274 14.285 10.022 4.061 1.00 3.35 C ATOM 0 H LEU A 274 16.098 12.341 6.459 1.00 2.68 H new ATOM 0 HA LEU A 274 14.121 11.260 8.377 1.00 3.01 H new ATOM 0 HB2 LEU A 274 14.461 9.132 6.944 1.00 3.24 H new ATOM 0 HB3 LEU A 274 13.388 10.383 6.348 1.00 3.24 H new ATOM 0 HG LEU A 274 15.692 11.180 5.173 1.00 3.30 H new ATOM 0 HD11 LEU A 274 16.855 9.207 4.282 1.00 3.97 H new ATOM 0 HD12 LEU A 274 17.002 9.324 6.052 1.00 3.97 H new ATOM 0 HD13 LEU A 274 15.868 8.159 5.329 1.00 3.97 H new ATOM 0 HD21 LEU A 274 14.860 10.059 3.136 1.00 3.35 H new ATOM 0 HD22 LEU A 274 13.782 9.058 4.137 1.00 3.35 H new ATOM 0 HD23 LEU A 274 13.542 10.820 4.059 1.00 3.35 H new ATOM 372 N PRO A 275 16.883 11.296 9.224 1.00 3.40 N ATOM 373 CA PRO A 275 18.020 10.777 10.007 1.00 3.87 C ATOM 374 C PRO A 275 17.608 9.683 10.989 1.00 4.12 C ATOM 375 O PRO A 275 18.309 8.682 11.141 1.00 4.56 O ATOM 376 CB PRO A 275 18.521 12.007 10.768 1.00 3.83 C ATOM 377 CG PRO A 275 18.099 13.142 9.915 1.00 3.45 C ATOM 378 CD PRO A 275 16.743 12.758 9.419 1.00 3.07 C ATOM 0 HA PRO A 275 18.771 10.315 9.366 1.00 3.87 H new ATOM 0 HB2 PRO A 275 18.081 12.069 11.763 1.00 3.83 H new ATOM 0 HB3 PRO A 275 19.603 11.984 10.898 1.00 3.83 H new ATOM 0 HG2 PRO A 275 18.065 14.072 10.482 1.00 3.45 H new ATOM 0 HG3 PRO A 275 18.794 13.297 9.089 1.00 3.45 H new ATOM 0 HD2 PRO A 275 15.962 13.000 10.140 1.00 3.07 H new ATOM 0 HD3 PRO A 275 16.489 13.270 8.491 1.00 3.07 H new ATOM 386 N LYS A 276 16.448 9.888 11.628 1.00 3.89 N ATOM 387 CA LYS A 276 15.884 8.943 12.588 1.00 4.16 C ATOM 388 C LYS A 276 16.900 8.507 13.658 1.00 4.54 C ATOM 389 O LYS A 276 17.203 9.330 14.549 1.00 4.48 O ATOM 390 CB LYS A 276 15.344 7.740 11.832 1.00 4.45 C ATOM 391 CG LYS A 276 14.564 6.769 12.686 1.00 4.74 C ATOM 392 CD LYS A 276 14.535 5.418 12.018 1.00 5.24 C ATOM 393 CE LYS A 276 15.749 4.573 12.399 1.00 5.69 C ATOM 394 NZ LYS A 276 17.038 5.269 12.115 1.00 5.61 N ATOM 395 OXT LYS A 276 17.377 7.344 13.599 1.00 4.98 O ATOM 0 H LYS A 276 15.875 10.720 11.489 1.00 3.89 H new ATOM 0 HA LYS A 276 15.077 9.442 13.124 1.00 4.16 H new ATOM 0 HB2 LYS A 276 14.703 8.091 11.024 1.00 4.45 H new ATOM 0 HB3 LYS A 276 16.178 7.211 11.370 1.00 4.45 H new ATOM 0 HG2 LYS A 276 15.021 6.688 13.672 1.00 4.74 H new ATOM 0 HG3 LYS A 276 13.548 7.134 12.834 1.00 4.74 H new ATOM 0 HD2 LYS A 276 13.623 4.892 12.300 1.00 5.24 H new ATOM 0 HD3 LYS A 276 14.507 5.548 10.936 1.00 5.24 H new ATOM 0 HE2 LYS A 276 15.698 4.326 13.460 1.00 5.69 H new ATOM 0 HE3 LYS A 276 15.719 3.631 11.851 1.00 5.69 H new ATOM 0 HZ1 LYS A 276 17.832 4.637 12.343 1.00 5.61 H new ATOM 0 HZ2 LYS A 276 17.079 5.527 11.108 1.00 5.61 H new ATOM 0 HZ3 LYS A 276 17.103 6.129 12.696 1.00 5.61 H new TER 409 LYS A 276