USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 261 hydrogens (5 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 337 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.368) USER MOD Single : A 338 SER OG : rot 61:sc= 0.321 USER MOD Single : A 339 TYR OH : rot 178:sc= -5.56! USER MOD Single : A 340 MET CE :methyl 171:sc= 0 (180deg=-0.133) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -30:sc= 0.518 USER MOD Single : A 349 HIS : no HD1:sc= -3.42 K(o=-3.4,f=-1.3) USER MOD Single : A 351 SER OG : rot 180:sc= 0 USER MOD Single : A 354 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot 180:sc= 0 USER MOD Single : A 363 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 366 LYS NZ :NH3+ -111:sc= -0.717 (180deg=-2.32!) USER MOD Single : A 367 LYS NZ :NH3+ -144:sc= -0.212 (180deg=-1.22!) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 336 37.763 9.405 -6.510 1.00 0.00 C HETATM 2 O ACE A 336 38.709 8.962 -5.858 1.00 0.00 O HETATM 3 CH3 ACE A 336 37.946 9.821 -7.966 1.00 0.00 C HETATM 0 H1 ACE A 336 37.288 9.227 -8.600 1.00 0.00 H new HETATM 0 H2 ACE A 336 37.700 10.877 -8.076 1.00 0.00 H new HETATM 0 H3 ACE A 336 38.982 9.657 -8.264 1.00 0.00 H new ATOM 7 N LYS A 337 36.543 9.553 -6.005 1.00 0.00 N ATOM 8 CA LYS A 337 36.246 9.193 -4.623 1.00 0.00 C ATOM 9 C LYS A 337 34.743 9.256 -4.349 1.00 0.00 C ATOM 10 O LYS A 337 34.322 9.410 -3.203 1.00 0.00 O ATOM 11 CB LYS A 337 36.998 10.129 -3.664 1.00 0.00 C ATOM 12 CG LYS A 337 36.358 11.527 -3.648 1.00 0.00 C ATOM 13 CD LYS A 337 36.204 12.057 -5.075 1.00 0.00 C ATOM 14 CE LYS A 337 35.966 13.568 -5.031 1.00 0.00 C ATOM 15 NZ LYS A 337 34.863 13.870 -4.075 1.00 0.00 N ATOM 0 H LYS A 337 35.747 9.918 -6.529 1.00 0.00 H new ATOM 0 HA LYS A 337 36.577 8.168 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 337 36.989 9.709 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.042 10.206 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.383 11.483 -3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 337 36.975 12.210 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 337 37.099 11.835 -5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.370 11.560 -5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 337 36.877 14.082 -4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.711 13.936 -6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 34.450 14.797 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 34.130 13.136 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 35.239 13.888 -3.106 1.00 0.00 H new ATOM 29 N SER A 338 33.941 9.135 -5.407 1.00 0.00 N ATOM 30 CA SER A 338 32.487 9.184 -5.267 1.00 0.00 C ATOM 31 C SER A 338 31.846 7.862 -5.684 1.00 0.00 C ATOM 32 O SER A 338 31.083 7.811 -6.649 1.00 0.00 O ATOM 33 CB SER A 338 31.922 10.314 -6.127 1.00 0.00 C ATOM 34 OG SER A 338 32.300 10.108 -7.482 1.00 0.00 O ATOM 0 H SER A 338 34.271 9.003 -6.363 1.00 0.00 H new ATOM 0 HA SER A 338 32.255 9.364 -4.217 1.00 0.00 H new ATOM 0 HB2 SER A 338 30.836 10.343 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 338 32.296 11.276 -5.775 1.00 0.00 H new ATOM 0 HG SER A 338 31.935 9.255 -7.797 1.00 0.00 H new ATOM 40 N TYR A 339 32.151 6.799 -4.947 1.00 0.00 N ATOM 41 CA TYR A 339 31.587 5.486 -5.247 1.00 0.00 C ATOM 42 C TYR A 339 32.158 4.423 -4.298 1.00 0.00 C ATOM 43 O TYR A 339 31.838 4.415 -3.109 1.00 0.00 O ATOM 44 CB TYR A 339 31.848 5.123 -6.720 1.00 0.00 C ATOM 45 CG TYR A 339 33.118 5.789 -7.212 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.225 5.926 -6.368 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.174 6.277 -8.524 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.389 6.549 -6.833 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.338 6.901 -8.990 1.00 0.00 C ATOM 50 CZ TYR A 339 35.445 7.037 -8.145 1.00 0.00 C ATOM 51 OH TYR A 339 36.592 7.650 -8.605 1.00 0.00 O ATOM 0 H TYR A 339 32.780 6.819 -4.144 1.00 0.00 H new ATOM 0 HA TYR A 339 30.509 5.520 -5.092 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.933 4.041 -6.825 1.00 0.00 H new ATOM 0 HB3 TYR A 339 31.004 5.437 -7.334 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.182 5.551 -5.356 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.320 6.172 -9.176 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.243 6.653 -6.181 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.381 7.277 -10.001 1.00 0.00 H new ATOM 0 HH TYR A 339 36.475 7.900 -9.545 1.00 0.00 H new ATOM 61 N MET A 340 33.006 3.538 -4.817 1.00 0.00 N ATOM 62 CA MET A 340 33.605 2.494 -3.992 1.00 0.00 C ATOM 63 C MET A 340 34.471 3.111 -2.902 1.00 0.00 C ATOM 64 O MET A 340 35.038 2.404 -2.068 1.00 0.00 O ATOM 65 CB MET A 340 34.455 1.570 -4.865 1.00 0.00 C ATOM 66 CG MET A 340 35.586 2.371 -5.510 1.00 0.00 C ATOM 67 SD MET A 340 36.978 2.489 -4.358 1.00 0.00 S ATOM 68 CE MET A 340 37.795 3.905 -5.133 1.00 0.00 C ATOM 0 H MET A 340 33.291 3.523 -5.796 1.00 0.00 H new ATOM 0 HA MET A 340 32.808 1.918 -3.523 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.867 0.761 -4.262 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.836 1.110 -5.636 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.905 1.890 -6.434 1.00 0.00 H new ATOM 0 HG3 MET A 340 35.234 3.368 -5.775 1.00 0.00 H new ATOM 0 HE1 MET A 340 38.602 4.256 -4.490 1.00 0.00 H new ATOM 0 HE2 MET A 340 38.203 3.606 -6.098 1.00 0.00 H new ATOM 0 HE3 MET A 340 37.072 4.708 -5.278 1.00 0.00 H new ATOM 78 N ALA A 341 34.569 4.434 -2.920 1.00 0.00 N ATOM 79 CA ALA A 341 35.369 5.147 -1.934 1.00 0.00 C ATOM 80 C ALA A 341 34.509 5.598 -0.759 1.00 0.00 C ATOM 81 O ALA A 341 34.974 5.648 0.379 1.00 0.00 O ATOM 82 CB ALA A 341 36.009 6.374 -2.582 1.00 0.00 C ATOM 0 H ALA A 341 34.106 5.033 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 341 36.141 4.470 -1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.607 6.906 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.648 6.058 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.229 7.034 -2.960 1.00 0.00 H new ATOM 88 N TYR A 342 33.262 5.948 -1.048 1.00 0.00 N ATOM 89 CA TYR A 342 32.356 6.419 -0.011 1.00 0.00 C ATOM 90 C TYR A 342 31.485 5.289 0.538 1.00 0.00 C ATOM 91 O TYR A 342 31.357 5.142 1.753 1.00 0.00 O ATOM 92 CB TYR A 342 31.472 7.534 -0.572 1.00 0.00 C ATOM 93 CG TYR A 342 30.141 6.959 -0.984 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.108 6.840 -0.048 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.945 6.534 -2.303 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.876 6.293 -0.431 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.714 5.988 -2.686 1.00 0.00 C ATOM 98 CZ TYR A 342 27.679 5.868 -1.750 1.00 0.00 C ATOM 99 OH TYR A 342 26.466 5.330 -2.128 1.00 0.00 O ATOM 0 H TYR A 342 32.858 5.915 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 342 32.957 6.801 0.814 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.328 8.311 0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.958 8.003 -1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.260 7.170 0.969 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.743 6.627 -3.025 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.079 6.199 0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.562 5.659 -3.704 1.00 0.00 H new ATOM 0 HH TYR A 342 26.497 5.088 -3.077 1.00 0.00 H new ATOM 109 N LEU A 343 30.876 4.498 -0.347 1.00 0.00 N ATOM 110 CA LEU A 343 30.018 3.411 0.111 1.00 0.00 C ATOM 111 C LEU A 343 30.829 2.379 0.883 1.00 0.00 C ATOM 112 O LEU A 343 30.269 1.505 1.547 1.00 0.00 O ATOM 113 CB LEU A 343 29.284 2.749 -1.067 1.00 0.00 C ATOM 114 CG LEU A 343 30.265 1.983 -1.960 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.202 0.488 -1.633 1.00 0.00 C ATOM 116 CD2 LEU A 343 29.875 2.185 -3.429 1.00 0.00 C ATOM 0 H LEU A 343 30.959 4.587 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 343 29.268 3.834 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.522 2.068 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 343 28.769 3.510 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 343 31.275 2.354 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 343 30.901 -0.054 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.469 0.333 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.191 0.120 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.571 1.641 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.864 1.811 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 343 29.912 3.247 -3.673 1.00 0.00 H new ATOM 128 N SER A 344 32.149 2.495 0.809 1.00 0.00 N ATOM 129 CA SER A 344 33.028 1.577 1.523 1.00 0.00 C ATOM 130 C SER A 344 33.400 2.166 2.880 1.00 0.00 C ATOM 131 O SER A 344 34.151 1.563 3.647 1.00 0.00 O ATOM 132 CB SER A 344 34.295 1.320 0.708 1.00 0.00 C ATOM 133 OG SER A 344 35.052 0.292 1.331 1.00 0.00 O ATOM 0 H SER A 344 32.632 3.210 0.266 1.00 0.00 H new ATOM 0 HA SER A 344 32.504 0.633 1.672 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.034 1.030 -0.310 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.887 2.232 0.637 1.00 0.00 H new ATOM 0 HG SER A 344 34.893 0.309 2.298 1.00 0.00 H new ATOM 139 N ALA A 345 32.868 3.354 3.160 1.00 0.00 N ATOM 140 CA ALA A 345 33.142 4.038 4.420 1.00 0.00 C ATOM 141 C ALA A 345 31.852 4.264 5.203 1.00 0.00 C ATOM 142 O ALA A 345 31.816 5.061 6.140 1.00 0.00 O ATOM 143 CB ALA A 345 33.806 5.387 4.137 1.00 0.00 C ATOM 0 H ALA A 345 32.245 3.862 2.531 1.00 0.00 H new ATOM 0 HA ALA A 345 33.808 3.414 5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.010 5.897 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.741 5.227 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.140 6.000 3.529 1.00 0.00 H new ATOM 149 N GLU A 346 30.796 3.562 4.810 1.00 0.00 N ATOM 150 CA GLU A 346 29.507 3.699 5.481 1.00 0.00 C ATOM 151 C GLU A 346 28.777 2.362 5.522 1.00 0.00 C ATOM 152 O GLU A 346 27.620 2.264 5.112 1.00 0.00 O ATOM 153 CB GLU A 346 28.644 4.725 4.748 1.00 0.00 C ATOM 154 CG GLU A 346 28.652 4.413 3.251 1.00 0.00 C ATOM 155 CD GLU A 346 27.226 4.379 2.713 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.672 5.444 2.491 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.712 3.290 2.523 1.00 0.00 O ATOM 0 H GLU A 346 30.805 2.897 4.037 1.00 0.00 H new ATOM 0 HA GLU A 346 29.687 4.035 6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.624 4.700 5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.026 5.731 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.232 5.167 2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.138 3.453 3.075 1.00 0.00 H new ATOM 164 N LEU A 347 29.460 1.337 6.020 1.00 0.00 N ATOM 165 CA LEU A 347 28.872 0.006 6.115 1.00 0.00 C ATOM 166 C LEU A 347 29.052 -0.550 7.522 1.00 0.00 C ATOM 167 O LEU A 347 28.630 -1.668 7.820 1.00 0.00 O ATOM 168 CB LEU A 347 29.535 -0.930 5.103 1.00 0.00 C ATOM 169 CG LEU A 347 31.035 -1.007 5.384 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.405 -2.433 5.796 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.809 -0.624 4.121 1.00 0.00 C ATOM 0 H LEU A 347 30.418 1.402 6.363 1.00 0.00 H new ATOM 0 HA LEU A 347 27.807 0.077 5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.091 -1.924 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.363 -0.568 4.090 1.00 0.00 H new ATOM 0 HG LEU A 347 31.290 -0.319 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.475 -2.488 5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 347 30.853 -2.707 6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.151 -3.122 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.879 -0.678 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.554 -1.312 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.546 0.392 3.827 1.00 0.00 H new ATOM 183 N PHE A 348 29.682 0.242 8.382 1.00 0.00 N ATOM 184 CA PHE A 348 29.916 -0.171 9.760 1.00 0.00 C ATOM 185 C PHE A 348 29.716 1.008 10.706 1.00 0.00 C ATOM 186 O PHE A 348 29.788 0.860 11.925 1.00 0.00 O ATOM 187 CB PHE A 348 31.340 -0.709 9.908 1.00 0.00 C ATOM 188 CG PHE A 348 32.212 -0.144 8.809 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.218 1.233 8.558 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.015 -0.999 8.044 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.026 1.755 7.541 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.823 -0.476 7.027 1.00 0.00 C ATOM 193 CZ PHE A 348 33.829 0.901 6.776 1.00 0.00 C ATOM 0 H PHE A 348 30.038 1.169 8.151 1.00 0.00 H new ATOM 0 HA PHE A 348 29.204 -0.956 10.014 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.743 -0.436 10.883 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.335 -1.798 9.859 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.600 1.892 9.149 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.011 -2.061 8.238 1.00 0.00 H new ATOM 0 HE1 PHE A 348 33.030 2.817 7.346 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.442 -1.135 6.436 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.453 1.304 5.992 1.00 0.00 H new ATOM 203 N HIS A 349 29.473 2.180 10.129 1.00 0.00 N ATOM 204 CA HIS A 349 29.273 3.390 10.917 1.00 0.00 C ATOM 205 C HIS A 349 28.070 3.244 11.842 1.00 0.00 C ATOM 206 O HIS A 349 27.726 4.169 12.577 1.00 0.00 O ATOM 207 CB HIS A 349 29.060 4.582 9.987 1.00 0.00 C ATOM 208 CG HIS A 349 27.816 4.372 9.167 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.756 5.265 9.193 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.452 3.385 8.285 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.814 4.801 8.352 1.00 0.00 C ATOM 212 NE2 HIS A 349 26.188 3.657 7.772 1.00 0.00 N ATOM 0 H HIS A 349 29.410 2.317 9.120 1.00 0.00 H new ATOM 0 HA HIS A 349 30.162 3.553 11.527 1.00 0.00 H new ATOM 0 HB2 HIS A 349 28.972 5.499 10.570 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.923 4.703 9.332 1.00 0.00 H new ATOM 0 HD2 HIS A 349 28.056 2.527 8.028 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.870 5.293 8.168 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.660 3.102 7.098 1.00 0.00 H new ATOM 220 N LEU A 350 27.440 2.076 11.801 1.00 0.00 N ATOM 221 CA LEU A 350 26.285 1.801 12.631 1.00 0.00 C ATOM 222 C LEU A 350 26.467 0.472 13.353 1.00 0.00 C ATOM 223 O LEU A 350 26.814 0.443 14.523 1.00 0.00 O ATOM 224 CB LEU A 350 25.020 1.746 11.767 1.00 0.00 C ATOM 225 CG LEU A 350 24.838 3.076 11.027 1.00 0.00 C ATOM 226 CD1 LEU A 350 23.695 2.943 10.020 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.506 4.196 12.021 1.00 0.00 C ATOM 0 H LEU A 350 27.716 1.303 11.196 1.00 0.00 H new ATOM 0 HA LEU A 350 26.183 2.599 13.367 1.00 0.00 H new ATOM 0 HB2 LEU A 350 25.093 0.928 11.051 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.150 1.545 12.392 1.00 0.00 H new ATOM 0 HG LEU A 350 25.765 3.322 10.509 1.00 0.00 H new ATOM 0 HD11 LEU A 350 23.563 3.888 9.492 1.00 0.00 H new ATOM 0 HD12 LEU A 350 23.931 2.157 9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 350 22.774 2.690 10.546 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.379 5.135 11.482 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.583 3.953 12.548 1.00 0.00 H new ATOM 0 HD23 LEU A 350 25.319 4.297 12.740 1.00 0.00 H new ATOM 239 N SER A 351 26.233 -0.625 12.647 1.00 0.00 N ATOM 240 CA SER A 351 26.376 -1.955 13.243 1.00 0.00 C ATOM 241 C SER A 351 27.660 -2.053 14.069 1.00 0.00 C ATOM 242 O SER A 351 28.695 -2.490 13.566 1.00 0.00 O ATOM 243 CB SER A 351 26.392 -3.020 12.147 1.00 0.00 C ATOM 244 OG SER A 351 26.081 -4.285 12.716 1.00 0.00 O ATOM 0 H SER A 351 25.945 -0.626 11.668 1.00 0.00 H new ATOM 0 HA SER A 351 25.525 -2.122 13.904 1.00 0.00 H new ATOM 0 HB2 SER A 351 25.669 -2.770 11.371 1.00 0.00 H new ATOM 0 HB3 SER A 351 27.372 -3.054 11.671 1.00 0.00 H new ATOM 0 HG SER A 351 26.089 -4.970 12.015 1.00 0.00 H new ATOM 250 N GLY A 352 27.588 -1.630 15.332 1.00 0.00 N ATOM 251 CA GLY A 352 28.749 -1.660 16.211 1.00 0.00 C ATOM 252 C GLY A 352 28.963 -0.276 16.793 1.00 0.00 C ATOM 253 O GLY A 352 29.305 -0.117 17.964 1.00 0.00 O ATOM 0 H GLY A 352 26.740 -1.265 15.764 1.00 0.00 H new ATOM 0 HA2 GLY A 352 28.597 -2.385 17.010 1.00 0.00 H new ATOM 0 HA3 GLY A 352 29.633 -1.976 15.657 1.00 0.00 H new ATOM 257 N ILE A 353 28.726 0.725 15.956 1.00 0.00 N ATOM 258 CA ILE A 353 28.856 2.109 16.365 1.00 0.00 C ATOM 259 C ILE A 353 27.503 2.623 16.850 1.00 0.00 C ATOM 260 O ILE A 353 27.428 3.448 17.756 1.00 0.00 O ATOM 261 CB ILE A 353 29.328 2.962 15.184 1.00 0.00 C ATOM 262 CG1 ILE A 353 30.615 2.371 14.585 1.00 0.00 C ATOM 263 CG2 ILE A 353 29.583 4.393 15.656 1.00 0.00 C ATOM 264 CD1 ILE A 353 31.674 2.169 15.676 1.00 0.00 C ATOM 0 H ILE A 353 28.441 0.599 14.985 1.00 0.00 H new ATOM 0 HA ILE A 353 29.587 2.176 17.171 1.00 0.00 H new ATOM 0 HB ILE A 353 28.554 2.968 14.416 1.00 0.00 H new ATOM 0 HG12 ILE A 353 30.395 1.418 14.104 1.00 0.00 H new ATOM 0 HG13 ILE A 353 31.002 3.036 13.813 1.00 0.00 H new ATOM 0 HG21 ILE A 353 29.919 4.999 14.815 1.00 0.00 H new ATOM 0 HG22 ILE A 353 28.662 4.812 16.060 1.00 0.00 H new ATOM 0 HG23 ILE A 353 30.350 4.390 16.430 1.00 0.00 H new ATOM 0 HD11 ILE A 353 32.577 1.750 15.233 1.00 0.00 H new ATOM 0 HD12 ILE A 353 31.908 3.128 16.138 1.00 0.00 H new ATOM 0 HD13 ILE A 353 31.290 1.485 16.433 1.00 0.00 H new ATOM 276 N MET A 354 26.437 2.122 16.228 1.00 0.00 N ATOM 277 CA MET A 354 25.084 2.529 16.579 1.00 0.00 C ATOM 278 C MET A 354 24.721 2.060 17.982 1.00 0.00 C ATOM 279 O MET A 354 23.992 2.733 18.711 1.00 0.00 O ATOM 280 CB MET A 354 24.071 1.943 15.592 1.00 0.00 C ATOM 281 CG MET A 354 24.185 0.417 15.576 1.00 0.00 C ATOM 282 SD MET A 354 22.771 -0.302 16.447 1.00 0.00 S ATOM 283 CE MET A 354 22.283 -1.472 15.155 1.00 0.00 C ATOM 0 H MET A 354 26.488 1.433 15.478 1.00 0.00 H new ATOM 0 HA MET A 354 25.051 3.618 16.539 1.00 0.00 H new ATOM 0 HB2 MET A 354 23.061 2.238 15.875 1.00 0.00 H new ATOM 0 HB3 MET A 354 24.251 2.341 14.593 1.00 0.00 H new ATOM 0 HG2 MET A 354 24.216 0.055 14.548 1.00 0.00 H new ATOM 0 HG3 MET A 354 25.115 0.106 16.051 1.00 0.00 H new ATOM 0 HE1 MET A 354 21.410 -2.036 15.485 1.00 0.00 H new ATOM 0 HE2 MET A 354 22.039 -0.926 14.243 1.00 0.00 H new ATOM 0 HE3 MET A 354 23.105 -2.159 14.957 1.00 0.00 H new ATOM 293 N ALA A 355 25.225 0.885 18.340 1.00 0.00 N ATOM 294 CA ALA A 355 24.951 0.294 19.641 1.00 0.00 C ATOM 295 C ALA A 355 25.651 1.068 20.748 1.00 0.00 C ATOM 296 O ALA A 355 25.386 0.848 21.929 1.00 0.00 O ATOM 297 CB ALA A 355 25.426 -1.158 19.651 1.00 0.00 C ATOM 0 H ALA A 355 25.829 0.321 17.742 1.00 0.00 H new ATOM 0 HA ALA A 355 23.877 0.334 19.820 1.00 0.00 H new ATOM 0 HB1 ALA A 355 25.221 -1.601 20.625 1.00 0.00 H new ATOM 0 HB2 ALA A 355 24.899 -1.719 18.879 1.00 0.00 H new ATOM 0 HB3 ALA A 355 26.498 -1.192 19.455 1.00 0.00 H new ATOM 303 N LEU A 356 26.542 1.973 20.357 1.00 0.00 N ATOM 304 CA LEU A 356 27.269 2.775 21.329 1.00 0.00 C ATOM 305 C LEU A 356 27.192 4.246 20.957 1.00 0.00 C ATOM 306 O LEU A 356 27.609 5.105 21.731 1.00 0.00 O ATOM 307 CB LEU A 356 28.729 2.321 21.397 1.00 0.00 C ATOM 308 CG LEU A 356 29.385 2.491 20.021 1.00 0.00 C ATOM 309 CD1 LEU A 356 29.786 3.956 19.767 1.00 0.00 C ATOM 310 CD2 LEU A 356 30.631 1.607 19.945 1.00 0.00 C ATOM 0 H LEU A 356 26.775 2.167 19.383 1.00 0.00 H new ATOM 0 HA LEU A 356 26.813 2.639 22.310 1.00 0.00 H new ATOM 0 HB2 LEU A 356 29.268 2.906 22.143 1.00 0.00 H new ATOM 0 HB3 LEU A 356 28.782 1.278 21.710 1.00 0.00 H new ATOM 0 HG LEU A 356 28.663 2.198 19.259 1.00 0.00 H new ATOM 0 HD11 LEU A 356 30.248 4.041 18.783 1.00 0.00 H new ATOM 0 HD12 LEU A 356 28.899 4.588 19.808 1.00 0.00 H new ATOM 0 HD13 LEU A 356 30.495 4.277 20.530 1.00 0.00 H new ATOM 0 HD21 LEU A 356 31.101 1.724 18.969 1.00 0.00 H new ATOM 0 HD22 LEU A 356 31.334 1.902 20.724 1.00 0.00 H new ATOM 0 HD23 LEU A 356 30.347 0.564 20.088 1.00 0.00 H new ATOM 322 N ILE A 357 26.649 4.530 19.769 1.00 0.00 N ATOM 323 CA ILE A 357 26.515 5.915 19.315 1.00 0.00 C ATOM 324 C ILE A 357 26.140 6.804 20.494 1.00 0.00 C ATOM 325 O ILE A 357 26.632 7.926 20.625 1.00 0.00 O ATOM 326 CB ILE A 357 25.425 6.007 18.215 1.00 0.00 C ATOM 327 CG1 ILE A 357 26.064 6.141 16.819 1.00 0.00 C ATOM 328 CG2 ILE A 357 24.491 7.205 18.448 1.00 0.00 C ATOM 329 CD1 ILE A 357 26.953 7.386 16.741 1.00 0.00 C ATOM 0 H ILE A 357 26.300 3.830 19.114 1.00 0.00 H new ATOM 0 HA ILE A 357 27.465 6.251 18.899 1.00 0.00 H new ATOM 0 HB ILE A 357 24.844 5.086 18.266 1.00 0.00 H new ATOM 0 HG12 ILE A 357 26.656 5.253 16.599 1.00 0.00 H new ATOM 0 HG13 ILE A 357 25.283 6.199 16.061 1.00 0.00 H new ATOM 0 HG21 ILE A 357 23.740 7.239 17.659 1.00 0.00 H new ATOM 0 HG22 ILE A 357 23.998 7.099 19.414 1.00 0.00 H new ATOM 0 HG23 ILE A 357 25.072 8.127 18.436 1.00 0.00 H new ATOM 0 HD11 ILE A 357 27.392 7.458 15.746 1.00 0.00 H new ATOM 0 HD12 ILE A 357 26.353 8.274 16.938 1.00 0.00 H new ATOM 0 HD13 ILE A 357 27.747 7.313 17.484 1.00 0.00 H new ATOM 341 N ALA A 358 25.260 6.291 21.344 1.00 0.00 N ATOM 342 CA ALA A 358 24.812 7.041 22.511 1.00 0.00 C ATOM 343 C ALA A 358 25.667 6.707 23.731 1.00 0.00 C ATOM 344 O ALA A 358 25.761 7.500 24.669 1.00 0.00 O ATOM 345 CB ALA A 358 23.348 6.715 22.805 1.00 0.00 C ATOM 0 H ALA A 358 24.844 5.364 21.249 1.00 0.00 H new ATOM 0 HA ALA A 358 24.914 8.105 22.296 1.00 0.00 H new ATOM 0 HB1 ALA A 358 23.018 7.278 23.678 1.00 0.00 H new ATOM 0 HB2 ALA A 358 22.735 6.986 21.945 1.00 0.00 H new ATOM 0 HB3 ALA A 358 23.245 5.648 23.002 1.00 0.00 H new ATOM 351 N SER A 359 26.282 5.529 23.717 1.00 0.00 N ATOM 352 CA SER A 359 27.121 5.102 24.832 1.00 0.00 C ATOM 353 C SER A 359 28.574 5.513 24.609 1.00 0.00 C ATOM 354 O SER A 359 29.443 5.214 25.428 1.00 0.00 O ATOM 355 CB SER A 359 27.041 3.585 24.994 1.00 0.00 C ATOM 356 OG SER A 359 26.966 3.263 26.377 1.00 0.00 O ATOM 0 H SER A 359 26.217 4.857 22.952 1.00 0.00 H new ATOM 0 HA SER A 359 26.756 5.587 25.737 1.00 0.00 H new ATOM 0 HB2 SER A 359 26.167 3.198 24.471 1.00 0.00 H new ATOM 0 HB3 SER A 359 27.916 3.113 24.546 1.00 0.00 H new ATOM 0 HG SER A 359 26.913 2.290 26.484 1.00 0.00 H new ATOM 362 N GLY A 360 28.829 6.196 23.495 1.00 0.00 N ATOM 363 CA GLY A 360 30.181 6.639 23.167 1.00 0.00 C ATOM 364 C GLY A 360 30.237 8.153 23.002 1.00 0.00 C ATOM 365 O GLY A 360 31.015 8.671 22.200 1.00 0.00 O ATOM 0 H GLY A 360 28.121 6.453 22.808 1.00 0.00 H new ATOM 0 HA2 GLY A 360 30.869 6.330 23.954 1.00 0.00 H new ATOM 0 HA3 GLY A 360 30.512 6.157 22.247 1.00 0.00 H new ATOM 369 N VAL A 361 29.410 8.859 23.765 1.00 0.00 N ATOM 370 CA VAL A 361 29.379 10.314 23.694 1.00 0.00 C ATOM 371 C VAL A 361 28.706 10.900 24.932 1.00 0.00 C ATOM 372 O VAL A 361 28.385 12.087 24.972 1.00 0.00 O ATOM 373 CB VAL A 361 28.629 10.758 22.435 1.00 0.00 C ATOM 374 CG1 VAL A 361 27.123 10.741 22.701 1.00 0.00 C ATOM 375 CG2 VAL A 361 29.064 12.177 22.058 1.00 0.00 C ATOM 0 H VAL A 361 28.757 8.451 24.434 1.00 0.00 H new ATOM 0 HA VAL A 361 30.405 10.680 23.651 1.00 0.00 H new ATOM 0 HB VAL A 361 28.859 10.076 21.617 1.00 0.00 H new ATOM 0 HG11 VAL A 361 26.591 11.057 21.804 1.00 0.00 H new ATOM 0 HG12 VAL A 361 26.812 9.731 22.970 1.00 0.00 H new ATOM 0 HG13 VAL A 361 26.890 11.422 23.520 1.00 0.00 H new ATOM 0 HG21 VAL A 361 28.531 12.495 21.162 1.00 0.00 H new ATOM 0 HG22 VAL A 361 28.834 12.858 22.878 1.00 0.00 H new ATOM 0 HG23 VAL A 361 30.137 12.190 21.866 1.00 0.00 H new ATOM 385 N VAL A 362 28.501 10.059 25.942 1.00 0.00 N ATOM 386 CA VAL A 362 27.871 10.504 27.180 1.00 0.00 C ATOM 387 C VAL A 362 28.617 9.945 28.388 1.00 0.00 C ATOM 388 O VAL A 362 29.054 8.794 28.379 1.00 0.00 O ATOM 389 CB VAL A 362 26.413 10.044 27.222 1.00 0.00 C ATOM 390 CG1 VAL A 362 25.745 10.581 28.491 1.00 0.00 C ATOM 391 CG2 VAL A 362 25.672 10.578 25.994 1.00 0.00 C ATOM 0 H VAL A 362 28.760 9.073 25.928 1.00 0.00 H new ATOM 0 HA VAL A 362 27.907 11.593 27.213 1.00 0.00 H new ATOM 0 HB VAL A 362 26.377 8.955 27.223 1.00 0.00 H new ATOM 0 HG11 VAL A 362 24.706 10.254 28.522 1.00 0.00 H new ATOM 0 HG12 VAL A 362 26.271 10.202 29.367 1.00 0.00 H new ATOM 0 HG13 VAL A 362 25.782 11.670 28.489 1.00 0.00 H new ATOM 0 HG21 VAL A 362 24.633 10.250 26.025 1.00 0.00 H new ATOM 0 HG22 VAL A 362 25.708 11.667 25.992 1.00 0.00 H new ATOM 0 HG23 VAL A 362 26.146 10.198 25.089 1.00 0.00 H new ATOM 401 N MET A 363 28.759 10.765 29.423 1.00 0.00 N ATOM 402 CA MET A 363 29.457 10.337 30.632 1.00 0.00 C ATOM 403 C MET A 363 28.923 11.078 31.854 1.00 0.00 C ATOM 404 O MET A 363 28.543 12.245 31.768 1.00 0.00 O ATOM 405 CB MET A 363 30.959 10.596 30.492 1.00 0.00 C ATOM 406 CG MET A 363 31.204 11.606 29.368 1.00 0.00 C ATOM 407 SD MET A 363 30.225 13.098 29.670 1.00 0.00 S ATOM 408 CE MET A 363 31.550 14.298 29.387 1.00 0.00 C ATOM 0 H MET A 363 28.404 11.721 29.451 1.00 0.00 H new ATOM 0 HA MET A 363 29.284 9.269 30.765 1.00 0.00 H new ATOM 0 HB2 MET A 363 31.362 10.977 31.431 1.00 0.00 H new ATOM 0 HB3 MET A 363 31.480 9.663 30.276 1.00 0.00 H new ATOM 0 HG2 MET A 363 32.263 11.858 29.316 1.00 0.00 H new ATOM 0 HG3 MET A 363 30.933 11.169 28.407 1.00 0.00 H new ATOM 0 HE1 MET A 363 31.162 15.307 29.523 1.00 0.00 H new ATOM 0 HE2 MET A 363 32.358 14.121 30.096 1.00 0.00 H new ATOM 0 HE3 MET A 363 31.929 14.189 28.371 1.00 0.00 H new ATOM 418 N ARG A 364 28.899 10.389 32.991 1.00 0.00 N ATOM 419 CA ARG A 364 28.412 10.990 34.228 1.00 0.00 C ATOM 420 C ARG A 364 28.858 10.168 35.433 1.00 0.00 C ATOM 421 O ARG A 364 28.044 9.774 36.268 1.00 0.00 O ATOM 422 CB ARG A 364 26.884 11.075 34.201 1.00 0.00 C ATOM 423 CG ARG A 364 26.400 11.981 35.335 1.00 0.00 C ATOM 424 CD ARG A 364 25.910 13.307 34.754 1.00 0.00 C ATOM 425 NE ARG A 364 25.602 14.245 35.828 1.00 0.00 N ATOM 426 CZ ARG A 364 25.188 15.479 35.565 1.00 0.00 C ATOM 427 NH1 ARG A 364 25.048 15.871 34.328 1.00 0.00 N ATOM 428 NH2 ARG A 364 24.920 16.300 36.544 1.00 0.00 N ATOM 0 H ARG A 364 29.209 9.421 33.082 1.00 0.00 H new ATOM 0 HA ARG A 364 28.829 11.993 34.313 1.00 0.00 H new ATOM 0 HB2 ARG A 364 26.548 11.467 33.241 1.00 0.00 H new ATOM 0 HB3 ARG A 364 26.452 10.080 34.308 1.00 0.00 H new ATOM 0 HG2 ARG A 364 25.596 11.494 35.886 1.00 0.00 H new ATOM 0 HG3 ARG A 364 27.209 12.159 36.043 1.00 0.00 H new ATOM 0 HD2 ARG A 364 26.673 13.730 34.100 1.00 0.00 H new ATOM 0 HD3 ARG A 364 25.023 13.139 34.143 1.00 0.00 H new ATOM 0 HE ARG A 364 25.707 13.948 36.798 1.00 0.00 H new ATOM 0 HH11 ARG A 364 25.257 15.229 33.563 1.00 0.00 H new ATOM 0 HH12 ARG A 364 24.730 16.819 34.126 1.00 0.00 H new ATOM 0 HH21 ARG A 364 25.029 15.994 37.511 1.00 0.00 H new ATOM 0 HH22 ARG A 364 24.602 17.248 36.342 1.00 0.00 H new ATOM 442 N PRO A 365 30.133 9.910 35.530 1.00 0.00 N ATOM 443 CA PRO A 365 30.718 9.119 36.654 1.00 0.00 C ATOM 444 C PRO A 365 30.570 9.830 37.997 1.00 0.00 C ATOM 445 O PRO A 365 30.129 9.234 38.981 1.00 0.00 O ATOM 446 CB PRO A 365 32.196 8.981 36.274 1.00 0.00 C ATOM 447 CG PRO A 365 32.465 10.097 35.321 1.00 0.00 C ATOM 448 CD PRO A 365 31.161 10.345 34.575 1.00 0.00 C ATOM 0 HA PRO A 365 30.214 8.161 36.782 1.00 0.00 H new ATOM 0 HB2 PRO A 365 32.836 9.052 37.153 1.00 0.00 H new ATOM 0 HB3 PRO A 365 32.395 8.014 35.813 1.00 0.00 H new ATOM 0 HG2 PRO A 365 32.786 10.993 35.852 1.00 0.00 H new ATOM 0 HG3 PRO A 365 33.265 9.833 34.629 1.00 0.00 H new ATOM 0 HD2 PRO A 365 31.044 11.396 34.310 1.00 0.00 H new ATOM 0 HD3 PRO A 365 31.114 9.775 33.647 1.00 0.00 H new ATOM 456 N LYS A 366 30.945 11.105 38.030 1.00 0.00 N ATOM 457 CA LYS A 366 30.854 11.886 39.259 1.00 0.00 C ATOM 458 C LYS A 366 31.708 11.259 40.355 1.00 0.00 C ATOM 459 O LYS A 366 31.239 11.038 41.471 1.00 0.00 O ATOM 460 CB LYS A 366 29.398 11.963 39.724 1.00 0.00 C ATOM 461 CG LYS A 366 28.498 12.304 38.535 1.00 0.00 C ATOM 462 CD LYS A 366 27.136 12.778 39.043 1.00 0.00 C ATOM 463 CE LYS A 366 26.493 11.677 39.890 1.00 0.00 C ATOM 464 NZ LYS A 366 26.890 11.851 41.316 1.00 0.00 N ATOM 0 H LYS A 366 31.312 11.616 37.227 1.00 0.00 H new ATOM 0 HA LYS A 366 31.223 12.892 39.057 1.00 0.00 H new ATOM 0 HB2 LYS A 366 29.095 11.012 40.162 1.00 0.00 H new ATOM 0 HB3 LYS A 366 29.293 12.720 40.501 1.00 0.00 H new ATOM 0 HG2 LYS A 366 28.961 13.081 37.926 1.00 0.00 H new ATOM 0 HG3 LYS A 366 28.375 11.429 37.896 1.00 0.00 H new ATOM 0 HD2 LYS A 366 27.253 13.685 39.636 1.00 0.00 H new ATOM 0 HD3 LYS A 366 26.490 13.028 38.202 1.00 0.00 H new ATOM 0 HE2 LYS A 366 25.408 11.718 39.796 1.00 0.00 H new ATOM 0 HE3 LYS A 366 26.807 10.697 39.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 27.524 11.076 41.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 27.383 12.760 41.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 26.041 11.839 41.917 1.00 0.00 H new ATOM 478 N LYS A 367 32.965 10.974 40.028 1.00 0.00 N ATOM 479 CA LYS A 367 33.878 10.371 40.993 1.00 0.00 C ATOM 480 C LYS A 367 33.242 9.145 41.638 1.00 0.00 C ATOM 481 O LYS A 367 33.705 8.674 42.678 1.00 0.00 O ATOM 482 CB LYS A 367 34.242 11.389 42.075 1.00 0.00 C ATOM 483 CG LYS A 367 35.423 12.237 41.600 1.00 0.00 C ATOM 484 CD LYS A 367 35.743 13.301 42.652 1.00 0.00 C ATOM 485 CE LYS A 367 35.234 14.662 42.174 1.00 0.00 C ATOM 486 NZ LYS A 367 35.915 15.028 40.900 1.00 0.00 N ATOM 0 H LYS A 367 33.372 11.149 39.109 1.00 0.00 H new ATOM 0 HA LYS A 367 34.781 10.063 40.467 1.00 0.00 H new ATOM 0 HB2 LYS A 367 33.386 12.028 42.291 1.00 0.00 H new ATOM 0 HB3 LYS A 367 34.499 10.875 43.001 1.00 0.00 H new ATOM 0 HG2 LYS A 367 36.294 11.604 41.431 1.00 0.00 H new ATOM 0 HG3 LYS A 367 35.184 12.712 40.648 1.00 0.00 H new ATOM 0 HD2 LYS A 367 35.277 13.040 43.602 1.00 0.00 H new ATOM 0 HD3 LYS A 367 36.818 13.344 42.826 1.00 0.00 H new ATOM 0 HE2 LYS A 367 34.155 14.627 42.025 1.00 0.00 H new ATOM 0 HE3 LYS A 367 35.426 15.421 42.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 36.084 16.054 40.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 36.824 14.526 40.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 35.314 14.759 40.095 1.00 0.00 H new HETATM 500 N NH2 A 368 32.199 8.593 41.080 1.00 0.00 N TER 503 NH2 A 368