USER MOD reduce.3.24.130724 H: found=0, std=0, add=210, rem=0, adj=10 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 -68:sc= 1.16 USER MOD Single : A 259 THR OG1 : rot -77:sc= 1.22 USER MOD Single : A 262 THR OG1 : rot 91:sc= 1.31 USER MOD Single : A 263 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 264 THR OG1 : rot -50:sc= 0.911 USER MOD Single : A 265 THR OG1 : rot 170:sc= 0 USER MOD Single : A 266 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 267 SER OG : rot -4:sc= 2.25 USER MOD Single : A 268 SER OG : rot -121:sc= 1.27 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+ 145:sc= 1.06 (180deg=0.656) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 249 5.603 -10.030 0.927 1.00 3.16 N ATOM 2 CA ALA A 249 5.263 -8.800 0.161 1.00 2.80 C ATOM 3 C ALA A 249 3.761 -8.717 -0.104 1.00 2.34 C ATOM 4 O ALA A 249 3.078 -9.737 -0.153 1.00 2.34 O ATOM 5 CB ALA A 249 6.037 -8.755 -1.148 1.00 2.94 C ATOM 0 HA ALA A 249 5.549 -7.938 0.764 1.00 2.80 H new ATOM 0 HB1 ALA A 249 5.775 -7.849 -1.694 1.00 2.94 H new ATOM 0 HB2 ALA A 249 7.107 -8.756 -0.938 1.00 2.94 H new ATOM 0 HB3 ALA A 249 5.784 -9.628 -1.750 1.00 2.94 H new ATOM 13 N PRO A 250 3.229 -7.496 -0.270 1.00 2.07 N ATOM 14 CA PRO A 250 1.799 -7.272 -0.525 1.00 1.73 C ATOM 15 C PRO A 250 1.342 -7.844 -1.870 1.00 1.46 C ATOM 16 O PRO A 250 1.983 -7.618 -2.898 1.00 1.46 O ATOM 17 CB PRO A 250 1.684 -5.739 -0.532 1.00 1.74 C ATOM 18 CG PRO A 250 2.903 -5.259 0.165 1.00 2.10 C ATOM 19 CD PRO A 250 3.967 -6.228 -0.222 1.00 2.25 C ATOM 0 HA PRO A 250 1.171 -7.765 0.217 1.00 1.73 H new ATOM 0 HB2 PRO A 250 1.633 -5.352 -1.550 1.00 1.74 H new ATOM 0 HB3 PRO A 250 0.780 -5.409 -0.020 1.00 1.74 H new ATOM 0 HG2 PRO A 250 3.161 -4.245 -0.141 1.00 2.10 H new ATOM 0 HG3 PRO A 250 2.759 -5.239 1.245 1.00 2.10 H new ATOM 0 HD2 PRO A 250 4.413 -5.980 -1.185 1.00 2.25 H new ATOM 0 HD3 PRO A 250 4.777 -6.256 0.507 1.00 2.25 H new ATOM 27 N ALA A 251 0.231 -8.587 -1.858 1.00 1.39 N ATOM 28 CA ALA A 251 -0.308 -9.186 -3.081 1.00 1.26 C ATOM 29 C ALA A 251 -0.568 -8.119 -4.147 1.00 0.99 C ATOM 30 O ALA A 251 -0.144 -8.248 -5.294 1.00 1.00 O ATOM 31 CB ALA A 251 -1.584 -9.957 -2.774 1.00 1.42 C ATOM 0 H ALA A 251 -0.311 -8.787 -1.017 1.00 1.39 H new ATOM 0 HA ALA A 251 0.434 -9.881 -3.475 1.00 1.26 H new ATOM 0 HB1 ALA A 251 -1.973 -10.397 -3.692 1.00 1.42 H new ATOM 0 HB2 ALA A 251 -1.367 -10.748 -2.056 1.00 1.42 H new ATOM 0 HB3 ALA A 251 -2.326 -9.279 -2.353 1.00 1.42 H new ATOM 37 N ARG A 252 -1.245 -7.047 -3.754 1.00 0.89 N ATOM 38 CA ARG A 252 -1.528 -5.952 -4.674 1.00 0.71 C ATOM 39 C ARG A 252 -0.468 -4.856 -4.578 1.00 0.67 C ATOM 40 O ARG A 252 -0.779 -3.688 -4.348 1.00 0.64 O ATOM 41 CB ARG A 252 -2.925 -5.384 -4.435 1.00 0.81 C ATOM 42 CG ARG A 252 -4.019 -6.271 -5.001 1.00 0.95 C ATOM 43 CD ARG A 252 -3.663 -6.731 -6.409 1.00 0.92 C ATOM 44 NE ARG A 252 -4.695 -7.585 -6.993 1.00 1.09 N ATOM 45 CZ ARG A 252 -4.561 -8.217 -8.140 1.00 1.21 C ATOM 46 NH1 ARG A 252 -3.444 -8.131 -8.815 1.00 1.27 N ATOM 47 NH2 ARG A 252 -5.541 -8.946 -8.605 1.00 1.38 N ATOM 0 H ARG A 252 -1.607 -6.912 -2.810 1.00 0.89 H new ATOM 0 HA ARG A 252 -1.496 -6.355 -5.686 1.00 0.71 H new ATOM 0 HB2 ARG A 252 -3.083 -5.256 -3.364 1.00 0.81 H new ATOM 0 HB3 ARG A 252 -2.994 -4.395 -4.888 1.00 0.81 H new ATOM 0 HG2 ARG A 252 -4.162 -7.137 -4.355 1.00 0.95 H new ATOM 0 HG3 ARG A 252 -4.963 -5.727 -5.018 1.00 0.95 H new ATOM 0 HD2 ARG A 252 -3.513 -5.859 -7.046 1.00 0.92 H new ATOM 0 HD3 ARG A 252 -2.718 -7.273 -6.383 1.00 0.92 H new ATOM 0 HE ARG A 252 -5.570 -7.698 -6.482 1.00 1.09 H new ATOM 0 HH11 ARG A 252 -2.671 -7.572 -8.453 1.00 1.27 H new ATOM 0 HH12 ARG A 252 -3.346 -8.623 -9.703 1.00 1.27 H new ATOM 0 HH21 ARG A 252 -6.411 -9.026 -8.079 1.00 1.38 H new ATOM 0 HH22 ARG A 252 -5.436 -9.435 -9.494 1.00 1.38 H new ATOM 61 N VAL A 253 0.785 -5.262 -4.761 1.00 0.79 N ATOM 62 CA VAL A 253 1.935 -4.358 -4.706 1.00 0.90 C ATOM 63 C VAL A 253 1.738 -3.109 -5.573 1.00 0.81 C ATOM 64 O VAL A 253 1.808 -1.983 -5.079 1.00 0.75 O ATOM 65 CB VAL A 253 3.214 -5.104 -5.148 1.00 1.18 C ATOM 66 CG1 VAL A 253 2.991 -5.865 -6.453 1.00 1.24 C ATOM 67 CG2 VAL A 253 4.391 -4.150 -5.268 1.00 1.38 C ATOM 0 H VAL A 253 1.035 -6.232 -4.953 1.00 0.79 H new ATOM 0 HA VAL A 253 2.035 -4.026 -3.673 1.00 0.90 H new ATOM 0 HB VAL A 253 3.452 -5.835 -4.375 1.00 1.18 H new ATOM 0 HG11 VAL A 253 3.910 -6.379 -6.736 1.00 1.24 H new ATOM 0 HG12 VAL A 253 2.194 -6.596 -6.316 1.00 1.24 H new ATOM 0 HG13 VAL A 253 2.710 -5.164 -7.239 1.00 1.24 H new ATOM 0 HG21 VAL A 253 5.277 -4.703 -5.580 1.00 1.38 H new ATOM 0 HG22 VAL A 253 4.163 -3.382 -6.007 1.00 1.38 H new ATOM 0 HG23 VAL A 253 4.578 -3.680 -4.303 1.00 1.38 H new ATOM 77 N GLY A 254 1.493 -3.329 -6.857 1.00 0.88 N ATOM 78 CA GLY A 254 1.284 -2.228 -7.795 1.00 0.95 C ATOM 79 C GLY A 254 0.172 -1.288 -7.357 1.00 0.79 C ATOM 80 O GLY A 254 0.350 -0.068 -7.328 1.00 0.84 O ATOM 0 H GLY A 254 1.434 -4.257 -7.275 1.00 0.88 H new ATOM 0 HA2 GLY A 254 2.211 -1.664 -7.900 1.00 0.95 H new ATOM 0 HA3 GLY A 254 1.045 -2.634 -8.778 1.00 0.95 H new ATOM 84 N LEU A 255 -0.970 -1.859 -6.986 1.00 0.66 N ATOM 85 CA LEU A 255 -2.106 -1.073 -6.517 1.00 0.66 C ATOM 86 C LEU A 255 -1.743 -0.269 -5.275 1.00 0.52 C ATOM 87 O LEU A 255 -2.054 0.918 -5.170 1.00 0.61 O ATOM 88 CB LEU A 255 -3.286 -1.982 -6.201 1.00 0.71 C ATOM 89 CG LEU A 255 -4.308 -2.107 -7.320 1.00 0.97 C ATOM 90 CD1 LEU A 255 -5.443 -3.022 -6.894 1.00 1.09 C ATOM 91 CD2 LEU A 255 -4.836 -0.732 -7.699 1.00 1.21 C ATOM 0 H LEU A 255 -1.133 -2.866 -7.001 1.00 0.66 H new ATOM 0 HA LEU A 255 -2.381 -0.382 -7.314 1.00 0.66 H new ATOM 0 HB2 LEU A 255 -2.908 -2.975 -5.960 1.00 0.71 H new ATOM 0 HB3 LEU A 255 -3.788 -1.607 -5.309 1.00 0.71 H new ATOM 0 HG LEU A 255 -3.827 -2.545 -8.195 1.00 0.97 H new ATOM 0 HD11 LEU A 255 -6.168 -3.103 -7.704 1.00 1.09 H new ATOM 0 HD12 LEU A 255 -5.046 -4.010 -6.662 1.00 1.09 H new ATOM 0 HD13 LEU A 255 -5.930 -2.610 -6.010 1.00 1.09 H new ATOM 0 HD21 LEU A 255 -5.567 -0.831 -8.501 1.00 1.21 H new ATOM 0 HD22 LEU A 255 -5.309 -0.272 -6.831 1.00 1.21 H new ATOM 0 HD23 LEU A 255 -4.010 -0.106 -8.036 1.00 1.21 H new ATOM 103 N GLY A 256 -1.083 -0.927 -4.333 1.00 0.40 N ATOM 104 CA GLY A 256 -0.691 -0.267 -3.109 1.00 0.39 C ATOM 105 C GLY A 256 0.299 0.867 -3.329 1.00 0.35 C ATOM 106 O GLY A 256 0.085 1.977 -2.849 1.00 0.37 O ATOM 0 H GLY A 256 -0.812 -1.908 -4.397 1.00 0.40 H new ATOM 0 HA2 GLY A 256 -1.580 0.126 -2.615 1.00 0.39 H new ATOM 0 HA3 GLY A 256 -0.249 -1.000 -2.434 1.00 0.39 H new ATOM 110 N ILE A 257 1.383 0.602 -4.058 1.00 0.50 N ATOM 111 CA ILE A 257 2.384 1.640 -4.310 1.00 0.67 C ATOM 112 C ILE A 257 1.807 2.809 -5.119 1.00 0.74 C ATOM 113 O ILE A 257 2.103 3.966 -4.828 1.00 0.80 O ATOM 114 CB ILE A 257 3.666 1.085 -4.989 1.00 0.95 C ATOM 115 CG1 ILE A 257 3.367 0.431 -6.341 1.00 1.07 C ATOM 116 CG2 ILE A 257 4.357 0.093 -4.067 1.00 1.06 C ATOM 117 CD1 ILE A 257 3.704 1.306 -7.530 1.00 1.31 C ATOM 0 H ILE A 257 1.589 -0.304 -4.478 1.00 0.50 H new ATOM 0 HA ILE A 257 2.674 2.017 -3.329 1.00 0.67 H new ATOM 0 HB ILE A 257 4.328 1.930 -5.177 1.00 0.95 H new ATOM 0 HG12 ILE A 257 3.929 -0.500 -6.416 1.00 1.07 H new ATOM 0 HG13 ILE A 257 2.310 0.170 -6.382 1.00 1.07 H new ATOM 0 HG21 ILE A 257 5.255 -0.290 -4.552 1.00 1.06 H new ATOM 0 HG22 ILE A 257 4.632 0.591 -3.137 1.00 1.06 H new ATOM 0 HG23 ILE A 257 3.681 -0.734 -3.850 1.00 1.06 H new ATOM 0 HD11 ILE A 257 3.465 0.775 -8.452 1.00 1.31 H new ATOM 0 HD12 ILE A 257 3.123 2.227 -7.480 1.00 1.31 H new ATOM 0 HD13 ILE A 257 4.767 1.547 -7.515 1.00 1.31 H new ATOM 129 N THR A 258 0.971 2.515 -6.119 1.00 0.82 N ATOM 130 CA THR A 258 0.363 3.575 -6.934 1.00 1.01 C ATOM 131 C THR A 258 -0.634 4.408 -6.127 1.00 0.95 C ATOM 132 O THR A 258 -0.629 5.639 -6.214 1.00 1.08 O ATOM 133 CB THR A 258 -0.348 3.024 -8.187 1.00 1.20 C ATOM 134 OG1 THR A 258 -1.240 1.966 -7.828 1.00 1.04 O ATOM 135 CG2 THR A 258 0.659 2.526 -9.213 1.00 1.40 C ATOM 0 H THR A 258 0.702 1.567 -6.382 1.00 0.82 H new ATOM 0 HA THR A 258 1.191 4.208 -7.254 1.00 1.01 H new ATOM 0 HB THR A 258 -0.920 3.838 -8.633 1.00 1.20 H new ATOM 0 HG1 THR A 258 -0.723 1.194 -7.517 1.00 1.04 H new ATOM 0 HG21 THR A 258 0.130 2.143 -10.086 1.00 1.40 H new ATOM 0 HG22 THR A 258 1.309 3.348 -9.514 1.00 1.40 H new ATOM 0 HG23 THR A 258 1.261 1.730 -8.775 1.00 1.40 H new ATOM 143 N THR A 259 -1.479 3.746 -5.331 1.00 0.83 N ATOM 144 CA THR A 259 -2.459 4.460 -4.508 1.00 0.91 C ATOM 145 C THR A 259 -1.757 5.315 -3.461 1.00 0.81 C ATOM 146 O THR A 259 -2.099 6.485 -3.278 1.00 0.96 O ATOM 147 CB THR A 259 -3.456 3.510 -3.807 1.00 0.93 C ATOM 148 OG1 THR A 259 -2.760 2.437 -3.164 1.00 0.74 O ATOM 149 CG2 THR A 259 -4.462 2.949 -4.802 1.00 1.10 C ATOM 0 H THR A 259 -1.505 2.730 -5.239 1.00 0.83 H new ATOM 0 HA THR A 259 -3.027 5.094 -5.188 1.00 0.91 H new ATOM 0 HB THR A 259 -3.994 4.086 -3.054 1.00 0.93 H new ATOM 0 HG1 THR A 259 -2.476 1.782 -3.836 1.00 0.74 H new ATOM 0 HG21 THR A 259 -5.153 2.283 -4.285 1.00 1.10 H new ATOM 0 HG22 THR A 259 -5.019 3.768 -5.257 1.00 1.10 H new ATOM 0 HG23 THR A 259 -3.935 2.393 -5.578 1.00 1.10 H new ATOM 157 N VAL A 260 -0.756 4.740 -2.796 1.00 0.59 N ATOM 158 CA VAL A 260 0.009 5.473 -1.792 1.00 0.54 C ATOM 159 C VAL A 260 0.730 6.667 -2.428 1.00 0.63 C ATOM 160 O VAL A 260 0.617 7.791 -1.938 1.00 0.72 O ATOM 161 CB VAL A 260 1.031 4.560 -1.080 1.00 0.47 C ATOM 162 CG1 VAL A 260 1.971 5.374 -0.205 1.00 0.61 C ATOM 163 CG2 VAL A 260 0.309 3.509 -0.250 1.00 0.55 C ATOM 0 H VAL A 260 -0.458 3.774 -2.934 1.00 0.59 H new ATOM 0 HA VAL A 260 -0.697 5.838 -1.047 1.00 0.54 H new ATOM 0 HB VAL A 260 1.628 4.058 -1.841 1.00 0.47 H new ATOM 0 HG11 VAL A 260 2.681 4.707 0.285 1.00 0.61 H new ATOM 0 HG12 VAL A 260 2.513 6.091 -0.822 1.00 0.61 H new ATOM 0 HG13 VAL A 260 1.394 5.908 0.550 1.00 0.61 H new ATOM 0 HG21 VAL A 260 1.041 2.872 0.247 1.00 0.55 H new ATOM 0 HG22 VAL A 260 -0.312 4.000 0.499 1.00 0.55 H new ATOM 0 HG23 VAL A 260 -0.320 2.901 -0.900 1.00 0.55 H new ATOM 173 N LEU A 261 1.442 6.421 -3.534 1.00 0.72 N ATOM 174 CA LEU A 261 2.158 7.483 -4.250 1.00 0.92 C ATOM 175 C LEU A 261 1.201 8.605 -4.648 1.00 1.07 C ATOM 176 O LEU A 261 1.497 9.786 -4.462 1.00 1.16 O ATOM 177 CB LEU A 261 2.832 6.917 -5.502 1.00 1.09 C ATOM 178 CG LEU A 261 4.359 7.016 -5.529 1.00 1.11 C ATOM 179 CD1 LEU A 261 4.804 8.471 -5.529 1.00 1.35 C ATOM 180 CD2 LEU A 261 4.968 6.273 -4.350 1.00 1.31 C ATOM 0 H LEU A 261 1.538 5.496 -3.953 1.00 0.72 H new ATOM 0 HA LEU A 261 2.919 7.888 -3.583 1.00 0.92 H new ATOM 0 HB2 LEU A 261 2.551 5.869 -5.602 1.00 1.09 H new ATOM 0 HB3 LEU A 261 2.436 7.438 -6.374 1.00 1.09 H new ATOM 0 HG LEU A 261 4.712 6.549 -6.448 1.00 1.11 H new ATOM 0 HD11 LEU A 261 5.893 8.518 -5.548 1.00 1.35 H new ATOM 0 HD12 LEU A 261 4.403 8.974 -6.409 1.00 1.35 H new ATOM 0 HD13 LEU A 261 4.435 8.964 -4.630 1.00 1.35 H new ATOM 0 HD21 LEU A 261 6.054 6.356 -4.389 1.00 1.31 H new ATOM 0 HD22 LEU A 261 4.604 6.707 -3.419 1.00 1.31 H new ATOM 0 HD23 LEU A 261 4.683 5.222 -4.396 1.00 1.31 H new ATOM 192 N THR A 262 0.044 8.217 -5.177 1.00 1.13 N ATOM 193 CA THR A 262 -0.985 9.174 -5.583 1.00 1.34 C ATOM 194 C THR A 262 -1.461 9.994 -4.384 1.00 1.32 C ATOM 195 O THR A 262 -1.560 11.217 -4.451 1.00 1.46 O ATOM 196 CB THR A 262 -2.198 8.450 -6.205 1.00 1.43 C ATOM 197 OG1 THR A 262 -1.794 7.724 -7.372 1.00 1.50 O ATOM 198 CG2 THR A 262 -3.299 9.434 -6.569 1.00 1.65 C ATOM 0 H THR A 262 -0.207 7.241 -5.336 1.00 1.13 H new ATOM 0 HA THR A 262 -0.541 9.836 -6.326 1.00 1.34 H new ATOM 0 HB THR A 262 -2.590 7.755 -5.463 1.00 1.43 H new ATOM 0 HG1 THR A 262 -1.539 6.812 -7.118 1.00 1.50 H new ATOM 0 HG21 THR A 262 -4.140 8.894 -7.005 1.00 1.65 H new ATOM 0 HG22 THR A 262 -3.630 9.958 -5.672 1.00 1.65 H new ATOM 0 HG23 THR A 262 -2.918 10.156 -7.291 1.00 1.65 H new ATOM 206 N MET A 263 -1.747 9.302 -3.286 1.00 1.18 N ATOM 207 CA MET A 263 -2.206 9.948 -2.058 1.00 1.22 C ATOM 208 C MET A 263 -1.144 10.902 -1.493 1.00 1.18 C ATOM 209 O MET A 263 -1.412 12.084 -1.266 1.00 1.30 O ATOM 210 CB MET A 263 -2.555 8.882 -1.018 1.00 1.13 C ATOM 211 CG MET A 263 -3.101 9.446 0.283 1.00 1.28 C ATOM 212 SD MET A 263 -3.428 8.163 1.505 1.00 1.32 S ATOM 213 CE MET A 263 -4.058 9.146 2.863 1.00 1.60 C ATOM 0 H MET A 263 -1.669 8.287 -3.220 1.00 1.18 H new ATOM 0 HA MET A 263 -3.092 10.538 -2.295 1.00 1.22 H new ATOM 0 HB2 MET A 263 -3.291 8.200 -1.444 1.00 1.13 H new ATOM 0 HB3 MET A 263 -1.663 8.294 -0.802 1.00 1.13 H new ATOM 0 HG2 MET A 263 -2.388 10.161 0.693 1.00 1.28 H new ATOM 0 HG3 MET A 263 -4.021 9.994 0.080 1.00 1.28 H new ATOM 0 HE1 MET A 263 -4.307 8.493 3.700 1.00 1.60 H new ATOM 0 HE2 MET A 263 -3.299 9.863 3.176 1.00 1.60 H new ATOM 0 HE3 MET A 263 -4.952 9.680 2.541 1.00 1.60 H new ATOM 223 N THR A 264 0.072 10.394 -1.275 1.00 1.05 N ATOM 224 CA THR A 264 1.155 11.228 -0.744 1.00 1.04 C ATOM 225 C THR A 264 1.905 11.961 -1.865 1.00 1.00 C ATOM 226 O THR A 264 3.127 12.121 -1.818 1.00 1.04 O ATOM 227 CB THR A 264 2.158 10.414 0.116 1.00 1.11 C ATOM 228 OG1 THR A 264 3.157 11.286 0.663 1.00 1.12 O ATOM 229 CG2 THR A 264 2.840 9.318 -0.692 1.00 1.15 C ATOM 0 H THR A 264 0.330 9.424 -1.455 1.00 1.05 H new ATOM 0 HA THR A 264 0.680 11.967 -0.099 1.00 1.04 H new ATOM 0 HB THR A 264 1.590 9.943 0.918 1.00 1.11 H new ATOM 0 HG1 THR A 264 3.535 11.840 -0.052 1.00 1.12 H new ATOM 0 HG21 THR A 264 3.534 8.773 -0.052 1.00 1.15 H new ATOM 0 HG22 THR A 264 2.088 8.631 -1.081 1.00 1.15 H new ATOM 0 HG23 THR A 264 3.387 9.765 -1.522 1.00 1.15 H new ATOM 237 N THR A 265 1.158 12.420 -2.869 1.00 0.98 N ATOM 238 CA THR A 265 1.741 13.148 -4.000 1.00 0.98 C ATOM 239 C THR A 265 2.359 14.474 -3.556 1.00 0.88 C ATOM 240 O THR A 265 3.305 14.960 -4.175 1.00 0.92 O ATOM 241 CB THR A 265 0.703 13.415 -5.111 1.00 1.06 C ATOM 242 OG1 THR A 265 1.303 14.155 -6.183 1.00 1.13 O ATOM 243 CG2 THR A 265 -0.498 14.181 -4.573 1.00 1.05 C ATOM 0 H THR A 265 0.146 12.301 -2.924 1.00 0.98 H new ATOM 0 HA THR A 265 2.525 12.508 -4.403 1.00 0.98 H new ATOM 0 HB THR A 265 0.358 12.450 -5.482 1.00 1.06 H new ATOM 0 HG1 THR A 265 0.690 14.180 -6.947 1.00 1.13 H new ATOM 0 HG21 THR A 265 -1.211 14.353 -5.380 1.00 1.05 H new ATOM 0 HG22 THR A 265 -0.976 13.600 -3.784 1.00 1.05 H new ATOM 0 HG23 THR A 265 -0.168 15.138 -4.170 1.00 1.05 H new ATOM 251 N GLN A 266 1.816 15.043 -2.473 1.00 0.84 N ATOM 252 CA GLN A 266 2.304 16.310 -1.913 1.00 0.80 C ATOM 253 C GLN A 266 2.317 17.440 -2.952 1.00 0.58 C ATOM 254 O GLN A 266 1.263 17.949 -3.339 1.00 0.61 O ATOM 255 CB GLN A 266 3.698 16.117 -1.303 1.00 0.98 C ATOM 256 CG GLN A 266 3.717 15.138 -0.140 1.00 1.22 C ATOM 257 CD GLN A 266 5.108 14.912 0.418 1.00 1.45 C ATOM 258 OE1 GLN A 266 6.004 14.453 -0.279 1.00 1.58 O ATOM 259 NE2 GLN A 266 5.299 15.237 1.683 1.00 1.61 N ATOM 0 H GLN A 266 1.030 14.641 -1.962 1.00 0.84 H new ATOM 0 HA GLN A 266 1.609 16.610 -1.129 1.00 0.80 H new ATOM 0 HB2 GLN A 266 4.380 15.764 -2.077 1.00 0.98 H new ATOM 0 HB3 GLN A 266 4.074 17.082 -0.963 1.00 0.98 H new ATOM 0 HG2 GLN A 266 3.069 15.511 0.653 1.00 1.22 H new ATOM 0 HG3 GLN A 266 3.303 14.184 -0.468 1.00 1.22 H new ATOM 0 HE21 GLN A 266 4.529 15.617 2.234 1.00 1.61 H new ATOM 0 HE22 GLN A 266 6.216 15.108 2.110 1.00 1.61 H new ATOM 268 N SER A 267 3.509 17.836 -3.390 1.00 0.59 N ATOM 269 CA SER A 267 3.657 18.909 -4.375 1.00 0.49 C ATOM 270 C SER A 267 5.038 18.873 -5.027 1.00 0.77 C ATOM 271 O SER A 267 6.049 18.673 -4.351 1.00 0.94 O ATOM 272 CB SER A 267 3.427 20.284 -3.730 1.00 0.40 C ATOM 273 OG SER A 267 2.067 20.460 -3.359 1.00 0.46 O ATOM 0 H SER A 267 4.391 17.429 -3.078 1.00 0.59 H new ATOM 0 HA SER A 267 2.902 18.749 -5.145 1.00 0.49 H new ATOM 0 HB2 SER A 267 4.062 20.386 -2.850 1.00 0.40 H new ATOM 0 HB3 SER A 267 3.720 21.069 -4.427 1.00 0.40 H new ATOM 0 HG SER A 267 1.544 19.686 -3.656 1.00 0.46 H new ATOM 279 N SER A 268 5.075 19.067 -6.343 1.00 0.91 N ATOM 280 CA SER A 268 6.331 19.056 -7.102 1.00 1.23 C ATOM 281 C SER A 268 7.130 20.356 -6.928 1.00 1.28 C ATOM 282 O SER A 268 7.626 20.927 -7.901 1.00 1.49 O ATOM 283 CB SER A 268 6.039 18.823 -8.587 1.00 1.42 C ATOM 284 OG SER A 268 5.105 19.772 -9.082 1.00 1.35 O ATOM 0 H SER A 268 4.246 19.235 -6.913 1.00 0.91 H new ATOM 0 HA SER A 268 6.941 18.243 -6.709 1.00 1.23 H new ATOM 0 HB2 SER A 268 6.966 18.889 -9.157 1.00 1.42 H new ATOM 0 HB3 SER A 268 5.648 17.816 -8.730 1.00 1.42 H new ATOM 0 HG SER A 268 4.316 19.305 -9.428 1.00 1.35 H new ATOM 290 N GLY A 269 7.266 20.816 -5.690 1.00 1.15 N ATOM 291 CA GLY A 269 8.016 22.035 -5.438 1.00 1.26 C ATOM 292 C GLY A 269 7.684 22.678 -4.101 1.00 1.11 C ATOM 293 O GLY A 269 7.314 21.997 -3.147 1.00 1.03 O ATOM 0 H GLY A 269 6.874 20.371 -4.860 1.00 1.15 H new ATOM 0 HA2 GLY A 269 9.082 21.811 -5.471 1.00 1.26 H new ATOM 0 HA3 GLY A 269 7.815 22.749 -6.237 1.00 1.26 H new ATOM 297 N SER A 270 7.822 23.999 -4.039 1.00 1.17 N ATOM 298 CA SER A 270 7.541 24.750 -2.812 1.00 1.15 C ATOM 299 C SER A 270 6.093 25.240 -2.767 1.00 1.03 C ATOM 300 O SER A 270 5.560 25.517 -1.693 1.00 1.19 O ATOM 301 CB SER A 270 8.491 25.945 -2.685 1.00 1.44 C ATOM 302 OG SER A 270 8.214 26.703 -1.517 1.00 1.54 O ATOM 0 H SER A 270 8.127 24.575 -4.823 1.00 1.17 H new ATOM 0 HA SER A 270 7.697 24.070 -1.974 1.00 1.15 H new ATOM 0 HB2 SER A 270 9.522 25.591 -2.656 1.00 1.44 H new ATOM 0 HB3 SER A 270 8.398 26.582 -3.565 1.00 1.44 H new ATOM 0 HG SER A 270 8.837 27.458 -1.462 1.00 1.54 H new ATOM 308 N ARG A 271 5.470 25.361 -3.936 1.00 0.98 N ATOM 309 CA ARG A 271 4.087 25.831 -4.032 1.00 0.97 C ATOM 310 C ARG A 271 3.102 24.846 -3.397 1.00 0.83 C ATOM 311 O ARG A 271 3.130 23.650 -3.682 1.00 0.66 O ATOM 312 CB ARG A 271 3.707 26.061 -5.497 1.00 1.06 C ATOM 313 CG ARG A 271 2.237 26.406 -5.700 1.00 1.18 C ATOM 314 CD ARG A 271 1.895 26.564 -7.173 1.00 1.33 C ATOM 315 NE ARG A 271 2.567 27.713 -7.778 1.00 1.50 N ATOM 316 CZ ARG A 271 2.249 28.966 -7.535 1.00 1.67 C ATOM 317 NH1 ARG A 271 1.238 29.258 -6.757 1.00 1.76 N ATOM 318 NH2 ARG A 271 2.935 29.928 -8.087 1.00 1.86 N ATOM 0 H ARG A 271 5.901 25.140 -4.834 1.00 0.98 H new ATOM 0 HA ARG A 271 4.026 26.770 -3.482 1.00 0.97 H new ATOM 0 HB2 ARG A 271 4.320 26.867 -5.900 1.00 1.06 H new ATOM 0 HB3 ARG A 271 3.943 25.164 -6.070 1.00 1.06 H new ATOM 0 HG2 ARG A 271 1.616 25.623 -5.264 1.00 1.18 H new ATOM 0 HG3 ARG A 271 2.004 27.330 -5.171 1.00 1.18 H new ATOM 0 HD2 ARG A 271 2.177 25.657 -7.709 1.00 1.33 H new ATOM 0 HD3 ARG A 271 0.817 26.677 -7.283 1.00 1.33 H new ATOM 0 HE ARG A 271 3.331 27.531 -8.430 1.00 1.50 H new ATOM 0 HH11 ARG A 271 0.688 28.511 -6.333 1.00 1.76 H new ATOM 0 HH12 ARG A 271 1.000 30.233 -6.575 1.00 1.76 H new ATOM 0 HH21 ARG A 271 3.716 29.708 -8.705 1.00 1.86 H new ATOM 0 HH22 ARG A 271 2.691 30.901 -7.900 1.00 1.86 H new ATOM 332 N ALA A 272 2.219 25.369 -2.551 1.00 1.02 N ATOM 333 CA ALA A 272 1.207 24.550 -1.893 1.00 1.09 C ATOM 334 C ALA A 272 0.162 24.059 -2.898 1.00 1.09 C ATOM 335 O ALA A 272 -0.305 24.828 -3.741 1.00 1.23 O ATOM 336 CB ALA A 272 0.541 25.338 -0.774 1.00 1.45 C ATOM 0 H ALA A 272 2.184 26.358 -2.305 1.00 1.02 H new ATOM 0 HA ALA A 272 1.698 23.677 -1.464 1.00 1.09 H new ATOM 0 HB1 ALA A 272 -0.213 24.717 -0.290 1.00 1.45 H new ATOM 0 HB2 ALA A 272 1.292 25.635 -0.041 1.00 1.45 H new ATOM 0 HB3 ALA A 272 0.066 26.228 -1.188 1.00 1.45 H new ATOM 342 N SER A 273 -0.185 22.773 -2.804 1.00 0.99 N ATOM 343 CA SER A 273 -1.164 22.149 -3.706 1.00 1.06 C ATOM 344 C SER A 273 -0.665 22.130 -5.136 1.00 0.93 C ATOM 345 O SER A 273 -1.365 22.530 -6.066 1.00 1.11 O ATOM 346 CB SER A 273 -2.527 22.836 -3.650 1.00 1.40 C ATOM 347 OG SER A 273 -3.038 22.877 -2.326 1.00 1.62 O ATOM 0 H SER A 273 0.200 22.136 -2.106 1.00 0.99 H new ATOM 0 HA SER A 273 -1.286 21.124 -3.356 1.00 1.06 H new ATOM 0 HB2 SER A 273 -2.440 23.851 -4.038 1.00 1.40 H new ATOM 0 HB3 SER A 273 -3.228 22.307 -4.295 1.00 1.40 H new ATOM 0 HG SER A 273 -3.910 23.324 -2.326 1.00 1.62 H new ATOM 353 N LEU A 274 0.535 21.606 -5.307 1.00 0.69 N ATOM 354 CA LEU A 274 1.119 21.466 -6.627 1.00 0.73 C ATOM 355 C LEU A 274 1.475 19.991 -6.893 1.00 0.73 C ATOM 356 O LEU A 274 2.600 19.686 -7.287 1.00 0.82 O ATOM 357 CB LEU A 274 2.365 22.353 -6.752 1.00 0.77 C ATOM 358 CG LEU A 274 2.953 22.469 -8.161 1.00 1.05 C ATOM 359 CD1 LEU A 274 1.957 23.119 -9.109 1.00 1.28 C ATOM 360 CD2 LEU A 274 4.254 23.256 -8.132 1.00 1.20 C ATOM 0 H LEU A 274 1.125 21.270 -4.546 1.00 0.69 H new ATOM 0 HA LEU A 274 0.392 21.787 -7.372 1.00 0.73 H new ATOM 0 HB2 LEU A 274 2.115 23.353 -6.398 1.00 0.77 H new ATOM 0 HB3 LEU A 274 3.135 21.963 -6.087 1.00 0.77 H new ATOM 0 HG LEU A 274 3.165 21.464 -8.526 1.00 1.05 H new ATOM 0 HD11 LEU A 274 2.396 23.191 -10.104 1.00 1.28 H new ATOM 0 HD12 LEU A 274 1.051 22.515 -9.155 1.00 1.28 H new ATOM 0 HD13 LEU A 274 1.710 24.117 -8.748 1.00 1.28 H new ATOM 0 HD21 LEU A 274 4.658 23.329 -9.142 1.00 1.20 H new ATOM 0 HD22 LEU A 274 4.065 24.257 -7.744 1.00 1.20 H new ATOM 0 HD23 LEU A 274 4.973 22.747 -7.489 1.00 1.20 H new ATOM 372 N PRO A 275 0.526 19.038 -6.660 1.00 0.78 N ATOM 373 CA PRO A 275 0.779 17.596 -6.872 1.00 0.90 C ATOM 374 C PRO A 275 1.417 17.284 -8.230 1.00 1.12 C ATOM 375 O PRO A 275 2.365 16.506 -8.318 1.00 1.27 O ATOM 376 CB PRO A 275 -0.622 16.993 -6.794 1.00 1.05 C ATOM 377 CG PRO A 275 -1.330 17.875 -5.834 1.00 1.00 C ATOM 378 CD PRO A 275 -0.853 19.264 -6.151 1.00 0.89 C ATOM 0 HA PRO A 275 1.487 17.200 -6.144 1.00 0.90 H new ATOM 0 HB2 PRO A 275 -1.111 16.987 -7.768 1.00 1.05 H new ATOM 0 HB3 PRO A 275 -0.595 15.961 -6.445 1.00 1.05 H new ATOM 0 HG2 PRO A 275 -2.411 17.794 -5.948 1.00 1.00 H new ATOM 0 HG3 PRO A 275 -1.097 17.604 -4.804 1.00 1.00 H new ATOM 0 HD2 PRO A 275 -1.484 19.747 -6.897 1.00 0.89 H new ATOM 0 HD3 PRO A 275 -0.857 19.903 -5.268 1.00 0.89 H new ATOM 386 N LYS A 276 0.896 17.914 -9.278 1.00 1.23 N ATOM 387 CA LYS A 276 1.419 17.724 -10.630 1.00 1.49 C ATOM 388 C LYS A 276 2.404 18.844 -11.004 1.00 1.57 C ATOM 389 O LYS A 276 3.621 18.662 -10.790 1.00 1.66 O ATOM 390 CB LYS A 276 0.275 17.683 -11.645 1.00 1.68 C ATOM 391 CG LYS A 276 0.741 17.399 -13.066 1.00 1.98 C ATOM 392 CD LYS A 276 -0.208 17.988 -14.097 1.00 2.16 C ATOM 393 CE LYS A 276 -0.317 19.501 -13.953 1.00 2.12 C ATOM 394 NZ LYS A 276 1.023 20.153 -13.922 1.00 2.12 N ATOM 395 OXT LYS A 276 1.944 19.896 -11.517 1.00 1.66 O ATOM 0 H LYS A 276 0.111 18.562 -9.219 1.00 1.23 H new ATOM 0 HA LYS A 276 1.951 16.773 -10.651 1.00 1.49 H new ATOM 0 HB2 LYS A 276 -0.441 16.918 -11.345 1.00 1.68 H new ATOM 0 HB3 LYS A 276 -0.252 18.637 -11.627 1.00 1.68 H new ATOM 0 HG2 LYS A 276 1.739 17.813 -13.211 1.00 1.98 H new ATOM 0 HG3 LYS A 276 0.818 16.322 -13.215 1.00 1.98 H new ATOM 0 HD2 LYS A 276 0.142 17.741 -15.099 1.00 2.16 H new ATOM 0 HD3 LYS A 276 -1.195 17.538 -13.984 1.00 2.16 H new ATOM 0 HE2 LYS A 276 -0.898 19.904 -14.783 1.00 2.12 H new ATOM 0 HE3 LYS A 276 -0.859 19.741 -13.038 1.00 2.12 H new ATOM 0 HZ1 LYS A 276 0.971 21.075 -14.399 1.00 2.12 H new ATOM 0 HZ2 LYS A 276 1.320 20.290 -12.935 1.00 2.12 H new ATOM 0 HZ3 LYS A 276 1.714 19.549 -14.410 1.00 2.12 H new TER 409 LYS A 276