USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=9 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+ 159:sc= -0.0244 (180deg=-0.282) USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 339 TYR OH : rot 178:sc= -5.61! USER MOD Single : A 340 MET CE :methyl 146:sc= -1.22 (180deg=-4.33!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -34:sc= 0.282 USER MOD Single : A 349 HIS : no HE2:sc= -2.29 K(o=-2.3,f=-3.2) USER MOD Single : A 351 SER OG : rot 67:sc= 1.03 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 336 37.834 9.321 -6.522 1.00 0.00 C HETATM 2 O ACE A 336 38.764 8.884 -5.845 1.00 0.00 O HETATM 3 CH3 ACE A 336 38.044 9.701 -7.984 1.00 0.00 C HETATM 0 H1 ACE A 336 37.389 9.099 -8.614 1.00 0.00 H new HETATM 0 H2 ACE A 336 37.811 10.757 -8.123 1.00 0.00 H new HETATM 0 H3 ACE A 336 39.082 9.519 -8.262 1.00 0.00 H new ATOM 7 N LYS A 337 36.606 9.495 -6.040 1.00 0.00 N ATOM 8 CA LYS A 337 36.287 9.172 -4.653 1.00 0.00 C ATOM 9 C LYS A 337 34.783 9.264 -4.398 1.00 0.00 C ATOM 10 O LYS A 337 34.351 9.445 -3.260 1.00 0.00 O ATOM 11 CB LYS A 337 37.039 10.120 -3.705 1.00 0.00 C ATOM 12 CG LYS A 337 36.415 11.526 -3.728 1.00 0.00 C ATOM 13 CD LYS A 337 36.269 12.018 -5.170 1.00 0.00 C ATOM 14 CE LYS A 337 36.039 13.531 -5.169 1.00 0.00 C ATOM 15 NZ LYS A 337 37.321 14.227 -4.864 1.00 0.00 N ATOM 0 H LYS A 337 35.822 9.855 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 337 36.603 8.146 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 337 37.013 9.723 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.087 10.178 -3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.439 11.506 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 337 37.039 12.218 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 337 37.165 11.775 -5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.435 11.512 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 337 35.660 13.853 -6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.284 13.795 -4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 37.271 15.210 -5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 37.483 14.221 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 38.104 13.736 -5.341 1.00 0.00 H new ATOM 29 N SER A 338 33.990 9.132 -5.462 1.00 0.00 N ATOM 30 CA SER A 338 32.535 9.207 -5.339 1.00 0.00 C ATOM 31 C SER A 338 31.880 7.891 -5.753 1.00 0.00 C ATOM 32 O SER A 338 31.143 7.837 -6.737 1.00 0.00 O ATOM 33 CB SER A 338 31.998 10.337 -6.215 1.00 0.00 C ATOM 34 OG SER A 338 30.709 10.720 -5.753 1.00 0.00 O ATOM 0 H SER A 338 34.328 8.974 -6.411 1.00 0.00 H new ATOM 0 HA SER A 338 32.294 9.402 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 338 32.676 11.190 -6.184 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.942 10.012 -7.254 1.00 0.00 H new ATOM 0 HG SER A 338 30.363 11.446 -6.313 1.00 0.00 H new ATOM 40 N TYR A 339 32.146 6.833 -4.992 1.00 0.00 N ATOM 41 CA TYR A 339 31.567 5.526 -5.287 1.00 0.00 C ATOM 42 C TYR A 339 32.110 4.463 -4.321 1.00 0.00 C ATOM 43 O TYR A 339 31.771 4.469 -3.137 1.00 0.00 O ATOM 44 CB TYR A 339 31.848 5.144 -6.751 1.00 0.00 C ATOM 45 CG TYR A 339 33.144 5.773 -7.222 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.236 5.895 -6.355 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.240 6.237 -8.539 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.425 6.481 -6.804 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.429 6.824 -8.990 1.00 0.00 C ATOM 50 CZ TYR A 339 35.521 6.946 -8.122 1.00 0.00 C ATOM 51 OH TYR A 339 36.692 7.521 -8.566 1.00 0.00 O ATOM 0 H TYR A 339 32.754 6.854 -4.173 1.00 0.00 H new ATOM 0 HA TYR A 339 30.487 5.578 -5.148 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.907 4.060 -6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 339 31.025 5.475 -7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.161 5.537 -5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.397 6.142 -9.208 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.268 6.575 -6.135 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.504 7.182 -10.006 1.00 0.00 H new ATOM 0 HH TYR A 339 36.601 7.759 -9.512 1.00 0.00 H new ATOM 61 N MET A 340 32.952 3.560 -4.820 1.00 0.00 N ATOM 62 CA MET A 340 33.524 2.513 -3.981 1.00 0.00 C ATOM 63 C MET A 340 34.393 3.120 -2.889 1.00 0.00 C ATOM 64 O MET A 340 34.924 2.412 -2.034 1.00 0.00 O ATOM 65 CB MET A 340 34.369 1.568 -4.838 1.00 0.00 C ATOM 66 CG MET A 340 35.613 2.307 -5.334 1.00 0.00 C ATOM 67 SD MET A 340 35.936 1.858 -7.058 1.00 0.00 S ATOM 68 CE MET A 340 36.331 3.520 -7.661 1.00 0.00 C ATOM 0 H MET A 340 33.251 3.533 -5.795 1.00 0.00 H new ATOM 0 HA MET A 340 32.710 1.957 -3.516 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.660 0.694 -4.256 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.785 1.207 -5.685 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.467 3.384 -5.249 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.472 2.052 -4.714 1.00 0.00 H new ATOM 0 HE1 MET A 340 37.093 3.454 -8.437 1.00 0.00 H new ATOM 0 HE2 MET A 340 35.433 3.981 -8.073 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.705 4.127 -6.836 1.00 0.00 H new ATOM 78 N ALA A 341 34.537 4.438 -2.930 1.00 0.00 N ATOM 79 CA ALA A 341 35.348 5.141 -1.947 1.00 0.00 C ATOM 80 C ALA A 341 34.494 5.623 -0.781 1.00 0.00 C ATOM 81 O ALA A 341 34.977 5.739 0.346 1.00 0.00 O ATOM 82 CB ALA A 341 36.019 6.343 -2.607 1.00 0.00 C ATOM 0 H ALA A 341 34.104 5.039 -3.631 1.00 0.00 H new ATOM 0 HA ALA A 341 36.102 4.451 -1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.627 6.870 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.654 6.002 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.256 7.017 -2.997 1.00 0.00 H new ATOM 88 N TYR A 342 33.231 5.921 -1.059 1.00 0.00 N ATOM 89 CA TYR A 342 32.332 6.410 -0.022 1.00 0.00 C ATOM 90 C TYR A 342 31.482 5.279 0.558 1.00 0.00 C ATOM 91 O TYR A 342 31.366 5.149 1.776 1.00 0.00 O ATOM 92 CB TYR A 342 31.435 7.509 -0.592 1.00 0.00 C ATOM 93 CG TYR A 342 30.118 6.913 -1.021 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.071 6.782 -0.102 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.949 6.482 -2.343 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.853 6.220 -0.504 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.732 5.920 -2.744 1.00 0.00 C ATOM 98 CZ TYR A 342 27.684 5.789 -1.826 1.00 0.00 C ATOM 99 OH TYR A 342 26.484 5.235 -2.222 1.00 0.00 O ATOM 0 H TYR A 342 32.809 5.834 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 342 32.936 6.819 0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.269 8.283 0.158 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.923 7.987 -1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.202 7.114 0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.757 6.583 -3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.044 6.119 0.205 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.601 5.587 -3.763 1.00 0.00 H new ATOM 0 HH TYR A 342 26.534 4.990 -3.170 1.00 0.00 H new ATOM 109 N LEU A 343 30.884 4.467 -0.311 1.00 0.00 N ATOM 110 CA LEU A 343 30.047 3.365 0.156 1.00 0.00 C ATOM 111 C LEU A 343 30.873 2.393 0.991 1.00 0.00 C ATOM 112 O LEU A 343 30.331 1.633 1.792 1.00 0.00 O ATOM 113 CB LEU A 343 29.402 2.636 -1.033 1.00 0.00 C ATOM 114 CG LEU A 343 30.413 1.697 -1.707 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.277 0.270 -1.156 1.00 0.00 C ATOM 116 CD2 LEU A 343 30.141 1.672 -3.212 1.00 0.00 C ATOM 0 H LEU A 343 30.961 4.548 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 343 29.252 3.774 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.539 2.064 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 343 29.035 3.364 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 343 31.420 2.061 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 343 31.002 -0.380 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.463 0.275 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.270 -0.100 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.854 1.008 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 343 29.128 1.312 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 343 30.247 2.678 -3.618 1.00 0.00 H new ATOM 128 N SER A 344 32.186 2.429 0.802 1.00 0.00 N ATOM 129 CA SER A 344 33.079 1.553 1.548 1.00 0.00 C ATOM 130 C SER A 344 33.452 2.192 2.880 1.00 0.00 C ATOM 131 O SER A 344 34.222 1.628 3.658 1.00 0.00 O ATOM 132 CB SER A 344 34.345 1.281 0.736 1.00 0.00 C ATOM 133 OG SER A 344 35.045 0.185 1.310 1.00 0.00 O ATOM 0 H SER A 344 32.654 3.051 0.143 1.00 0.00 H new ATOM 0 HA SER A 344 32.565 0.611 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.086 1.060 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.980 2.167 0.724 1.00 0.00 H new ATOM 0 HG SER A 344 34.935 0.201 2.284 1.00 0.00 H new ATOM 139 N ALA A 345 32.900 3.378 3.130 1.00 0.00 N ATOM 140 CA ALA A 345 33.174 4.103 4.366 1.00 0.00 C ATOM 141 C ALA A 345 31.896 4.286 5.178 1.00 0.00 C ATOM 142 O ALA A 345 31.881 5.009 6.175 1.00 0.00 O ATOM 143 CB ALA A 345 33.769 5.473 4.040 1.00 0.00 C ATOM 0 H ALA A 345 32.262 3.855 2.493 1.00 0.00 H new ATOM 0 HA ALA A 345 33.885 3.523 4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 345 33.972 6.011 4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.698 5.343 3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.062 6.043 3.437 1.00 0.00 H new ATOM 149 N GLU A 346 30.823 3.630 4.746 1.00 0.00 N ATOM 150 CA GLU A 346 29.546 3.735 5.442 1.00 0.00 C ATOM 151 C GLU A 346 28.829 2.389 5.461 1.00 0.00 C ATOM 152 O GLU A 346 27.714 2.262 4.955 1.00 0.00 O ATOM 153 CB GLU A 346 28.662 4.772 4.750 1.00 0.00 C ATOM 154 CG GLU A 346 28.593 4.459 3.256 1.00 0.00 C ATOM 155 CD GLU A 346 27.150 4.556 2.771 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.450 5.443 3.229 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.764 3.737 1.951 1.00 0.00 O ATOM 0 H GLU A 346 30.812 3.025 3.925 1.00 0.00 H new ATOM 0 HA GLU A 346 29.739 4.044 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.661 4.761 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.065 5.773 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.220 5.156 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 346 28.983 3.459 3.067 1.00 0.00 H new ATOM 164 N LEU A 347 29.477 1.390 6.048 1.00 0.00 N ATOM 165 CA LEU A 347 28.894 0.056 6.130 1.00 0.00 C ATOM 166 C LEU A 347 29.092 -0.526 7.525 1.00 0.00 C ATOM 167 O LEU A 347 28.717 -1.666 7.794 1.00 0.00 O ATOM 168 CB LEU A 347 29.547 -0.861 5.095 1.00 0.00 C ATOM 169 CG LEU A 347 31.064 -0.848 5.294 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.546 -2.258 5.638 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.741 -0.378 4.004 1.00 0.00 C ATOM 0 H LEU A 347 30.401 1.477 6.472 1.00 0.00 H new ATOM 0 HA LEU A 347 27.826 0.130 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.164 -1.876 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.298 -0.527 4.088 1.00 0.00 H new ATOM 0 HG LEU A 347 31.319 -0.169 6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.627 -2.249 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 347 31.063 -2.594 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.293 -2.938 4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.822 -0.368 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.486 -1.058 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.397 0.627 3.758 1.00 0.00 H new ATOM 183 N PHE A 348 29.690 0.268 8.407 1.00 0.00 N ATOM 184 CA PHE A 348 29.941 -0.172 9.773 1.00 0.00 C ATOM 185 C PHE A 348 29.730 0.979 10.752 1.00 0.00 C ATOM 186 O PHE A 348 29.842 0.807 11.966 1.00 0.00 O ATOM 187 CB PHE A 348 31.379 -0.685 9.891 1.00 0.00 C ATOM 188 CG PHE A 348 32.227 -0.069 8.801 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.176 1.311 8.569 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.062 -0.879 8.023 1.00 0.00 C ATOM 191 CE1 PHE A 348 32.961 1.880 7.560 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.848 -0.310 7.014 1.00 0.00 C ATOM 193 CZ PHE A 348 33.798 1.070 6.782 1.00 0.00 C ATOM 0 H PHE A 348 30.008 1.215 8.201 1.00 0.00 H new ATOM 0 HA PHE A 348 29.243 -0.973 10.016 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.787 -0.433 10.870 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.396 -1.772 9.809 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.531 1.936 9.169 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.100 -1.944 8.201 1.00 0.00 H new ATOM 0 HE1 PHE A 348 32.921 2.944 7.381 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.493 -0.935 6.415 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.404 1.509 6.004 1.00 0.00 H new ATOM 203 N HIS A 349 29.435 2.157 10.209 1.00 0.00 N ATOM 204 CA HIS A 349 29.223 3.340 11.034 1.00 0.00 C ATOM 205 C HIS A 349 27.964 3.198 11.883 1.00 0.00 C ATOM 206 O HIS A 349 27.515 4.159 12.506 1.00 0.00 O ATOM 207 CB HIS A 349 29.115 4.584 10.151 1.00 0.00 C ATOM 208 CG HIS A 349 27.802 4.582 9.420 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.749 5.403 9.789 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.358 3.872 8.331 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.733 5.170 8.937 1.00 0.00 C ATOM 212 NE2 HIS A 349 26.052 4.245 8.028 1.00 0.00 N ATOM 0 H HIS A 349 29.338 2.316 9.206 1.00 0.00 H new ATOM 0 HA HIS A 349 30.078 3.444 11.702 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.199 5.483 10.762 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.938 4.606 9.437 1.00 0.00 H new ATOM 0 HD1 HIS A 349 26.744 6.064 10.566 1.00 0.00 H new ATOM 0 HD2 HIS A 349 27.935 3.136 7.792 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.777 5.670 8.983 1.00 0.00 H new ATOM 220 N LEU A 350 27.397 1.993 11.895 1.00 0.00 N ATOM 221 CA LEU A 350 26.193 1.729 12.663 1.00 0.00 C ATOM 222 C LEU A 350 26.352 0.445 13.478 1.00 0.00 C ATOM 223 O LEU A 350 26.486 0.491 14.693 1.00 0.00 O ATOM 224 CB LEU A 350 24.978 1.606 11.731 1.00 0.00 C ATOM 225 CG LEU A 350 25.352 2.041 10.310 1.00 0.00 C ATOM 226 CD1 LEU A 350 26.247 0.984 9.656 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.075 2.199 9.481 1.00 0.00 C ATOM 0 H LEU A 350 27.755 1.188 11.381 1.00 0.00 H new ATOM 0 HA LEU A 350 26.032 2.564 13.345 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.621 0.576 11.721 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.161 2.223 12.104 1.00 0.00 H new ATOM 0 HG LEU A 350 25.889 2.988 10.355 1.00 0.00 H new ATOM 0 HD11 LEU A 350 26.508 1.302 8.646 1.00 0.00 H new ATOM 0 HD12 LEU A 350 27.157 0.863 10.244 1.00 0.00 H new ATOM 0 HD13 LEU A 350 25.715 0.034 9.611 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.334 2.509 8.469 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.545 1.247 9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 350 23.435 2.954 9.938 1.00 0.00 H new ATOM 239 N SER A 351 26.335 -0.699 12.804 1.00 0.00 N ATOM 240 CA SER A 351 26.470 -1.987 13.488 1.00 0.00 C ATOM 241 C SER A 351 27.656 -1.981 14.452 1.00 0.00 C ATOM 242 O SER A 351 28.744 -2.445 14.109 1.00 0.00 O ATOM 243 CB SER A 351 26.655 -3.102 12.459 1.00 0.00 C ATOM 244 OG SER A 351 27.982 -3.058 11.952 1.00 0.00 O ATOM 0 H SER A 351 26.230 -0.765 11.792 1.00 0.00 H new ATOM 0 HA SER A 351 25.561 -2.161 14.064 1.00 0.00 H new ATOM 0 HB2 SER A 351 26.461 -4.072 12.918 1.00 0.00 H new ATOM 0 HB3 SER A 351 25.939 -2.985 11.646 1.00 0.00 H new ATOM 0 HG SER A 351 28.613 -3.285 12.667 1.00 0.00 H new ATOM 250 N GLY A 352 27.442 -1.445 15.655 1.00 0.00 N ATOM 251 CA GLY A 352 28.500 -1.373 16.652 1.00 0.00 C ATOM 252 C GLY A 352 28.649 0.061 17.116 1.00 0.00 C ATOM 253 O GLY A 352 28.976 0.331 18.270 1.00 0.00 O ATOM 0 H GLY A 352 26.548 -1.057 15.957 1.00 0.00 H new ATOM 0 HA2 GLY A 352 28.264 -2.019 17.498 1.00 0.00 H new ATOM 0 HA3 GLY A 352 29.439 -1.731 16.230 1.00 0.00 H new ATOM 257 N ILE A 353 28.383 0.976 16.195 1.00 0.00 N ATOM 258 CA ILE A 353 28.458 2.396 16.486 1.00 0.00 C ATOM 259 C ILE A 353 27.074 2.924 16.847 1.00 0.00 C ATOM 260 O ILE A 353 26.936 3.818 17.676 1.00 0.00 O ATOM 261 CB ILE A 353 28.979 3.148 15.260 1.00 0.00 C ATOM 262 CG1 ILE A 353 30.279 2.503 14.757 1.00 0.00 C ATOM 263 CG2 ILE A 353 29.235 4.609 15.629 1.00 0.00 C ATOM 264 CD1 ILE A 353 31.284 2.361 15.905 1.00 0.00 C ATOM 0 H ILE A 353 28.112 0.757 15.236 1.00 0.00 H new ATOM 0 HA ILE A 353 29.137 2.550 17.325 1.00 0.00 H new ATOM 0 HB ILE A 353 28.233 3.099 14.467 1.00 0.00 H new ATOM 0 HG12 ILE A 353 30.065 1.523 14.330 1.00 0.00 H new ATOM 0 HG13 ILE A 353 30.710 3.111 13.961 1.00 0.00 H new ATOM 0 HG21 ILE A 353 29.606 5.145 14.756 1.00 0.00 H new ATOM 0 HG22 ILE A 353 28.306 5.067 15.968 1.00 0.00 H new ATOM 0 HG23 ILE A 353 29.976 4.658 16.427 1.00 0.00 H new ATOM 0 HD11 ILE A 353 32.200 1.902 15.532 1.00 0.00 H new ATOM 0 HD12 ILE A 353 31.512 3.346 16.313 1.00 0.00 H new ATOM 0 HD13 ILE A 353 30.857 1.734 16.687 1.00 0.00 H new ATOM 276 N MET A 354 26.055 2.364 16.199 1.00 0.00 N ATOM 277 CA MET A 354 24.675 2.779 16.420 1.00 0.00 C ATOM 278 C MET A 354 24.207 2.455 17.835 1.00 0.00 C ATOM 279 O MET A 354 23.392 3.174 18.412 1.00 0.00 O ATOM 280 CB MET A 354 23.743 2.076 15.430 1.00 0.00 C ATOM 281 CG MET A 354 23.883 0.562 15.579 1.00 0.00 C ATOM 282 SD MET A 354 22.378 -0.110 16.330 1.00 0.00 S ATOM 283 CE MET A 354 22.299 -1.633 15.355 1.00 0.00 C ATOM 0 H MET A 354 26.162 1.617 15.513 1.00 0.00 H new ATOM 0 HA MET A 354 24.640 3.859 16.274 1.00 0.00 H new ATOM 0 HB2 MET A 354 22.711 2.375 15.612 1.00 0.00 H new ATOM 0 HB3 MET A 354 23.987 2.375 14.411 1.00 0.00 H new ATOM 0 HG2 MET A 354 24.052 0.104 14.605 1.00 0.00 H new ATOM 0 HG3 MET A 354 24.749 0.325 16.198 1.00 0.00 H new ATOM 0 HE1 MET A 354 21.428 -2.214 15.658 1.00 0.00 H new ATOM 0 HE2 MET A 354 22.218 -1.384 14.297 1.00 0.00 H new ATOM 0 HE3 MET A 354 23.203 -2.219 15.522 1.00 0.00 H new ATOM 293 N ALA A 355 24.708 1.351 18.374 1.00 0.00 N ATOM 294 CA ALA A 355 24.324 0.909 19.708 1.00 0.00 C ATOM 295 C ALA A 355 24.962 1.789 20.770 1.00 0.00 C ATOM 296 O ALA A 355 24.513 1.824 21.916 1.00 0.00 O ATOM 297 CB ALA A 355 24.761 -0.541 19.904 1.00 0.00 C ATOM 0 H ALA A 355 25.382 0.745 17.907 1.00 0.00 H new ATOM 0 HA ALA A 355 23.241 0.984 19.807 1.00 0.00 H new ATOM 0 HB1 ALA A 355 24.475 -0.875 20.901 1.00 0.00 H new ATOM 0 HB2 ALA A 355 24.277 -1.171 19.158 1.00 0.00 H new ATOM 0 HB3 ALA A 355 25.843 -0.613 19.793 1.00 0.00 H new ATOM 303 N LEU A 356 26.010 2.497 20.375 1.00 0.00 N ATOM 304 CA LEU A 356 26.716 3.382 21.285 1.00 0.00 C ATOM 305 C LEU A 356 26.549 4.828 20.846 1.00 0.00 C ATOM 306 O LEU A 356 26.785 5.745 21.631 1.00 0.00 O ATOM 307 CB LEU A 356 28.204 3.030 21.326 1.00 0.00 C ATOM 308 CG LEU A 356 28.513 1.947 20.296 1.00 0.00 C ATOM 309 CD1 LEU A 356 30.030 1.774 20.184 1.00 0.00 C ATOM 310 CD2 LEU A 356 27.883 0.625 20.740 1.00 0.00 C ATOM 0 H LEU A 356 26.389 2.475 19.428 1.00 0.00 H new ATOM 0 HA LEU A 356 26.293 3.257 22.282 1.00 0.00 H new ATOM 0 HB2 LEU A 356 28.802 3.918 21.122 1.00 0.00 H new ATOM 0 HB3 LEU A 356 28.477 2.684 22.323 1.00 0.00 H new ATOM 0 HG LEU A 356 28.104 2.237 19.328 1.00 0.00 H new ATOM 0 HD11 LEU A 356 30.255 1.001 19.449 1.00 0.00 H new ATOM 0 HD12 LEU A 356 30.481 2.715 19.870 1.00 0.00 H new ATOM 0 HD13 LEU A 356 30.435 1.482 21.153 1.00 0.00 H new ATOM 0 HD21 LEU A 356 28.104 -0.148 20.004 1.00 0.00 H new ATOM 0 HD22 LEU A 356 28.293 0.333 21.707 1.00 0.00 H new ATOM 0 HD23 LEU A 356 26.803 0.747 20.825 1.00 0.00 H new ATOM 322 N ILE A 357 26.147 5.018 19.586 1.00 0.00 N ATOM 323 CA ILE A 357 25.949 6.370 19.041 1.00 0.00 C ATOM 324 C ILE A 357 25.480 7.325 20.136 1.00 0.00 C ATOM 325 O ILE A 357 25.983 8.441 20.261 1.00 0.00 O ATOM 326 CB ILE A 357 24.918 6.332 17.890 1.00 0.00 C ATOM 327 CG1 ILE A 357 25.657 6.473 16.550 1.00 0.00 C ATOM 328 CG2 ILE A 357 23.889 7.474 18.023 1.00 0.00 C ATOM 329 CD1 ILE A 357 24.679 6.289 15.384 1.00 0.00 C ATOM 0 H ILE A 357 25.953 4.263 18.928 1.00 0.00 H new ATOM 0 HA ILE A 357 26.901 6.731 18.652 1.00 0.00 H new ATOM 0 HB ILE A 357 24.385 5.382 17.936 1.00 0.00 H new ATOM 0 HG12 ILE A 357 26.128 7.454 16.488 1.00 0.00 H new ATOM 0 HG13 ILE A 357 26.454 5.732 16.486 1.00 0.00 H new ATOM 0 HG21 ILE A 357 23.178 7.420 17.199 1.00 0.00 H new ATOM 0 HG22 ILE A 357 23.357 7.376 18.969 1.00 0.00 H new ATOM 0 HG23 ILE A 357 24.405 8.434 17.995 1.00 0.00 H new ATOM 0 HD11 ILE A 357 25.215 6.391 14.440 1.00 0.00 H new ATOM 0 HD12 ILE A 357 24.228 5.298 15.440 1.00 0.00 H new ATOM 0 HD13 ILE A 357 23.898 7.047 15.442 1.00 0.00 H new ATOM 341 N ALA A 358 24.508 6.875 20.922 1.00 0.00 N ATOM 342 CA ALA A 358 23.971 7.694 22.002 1.00 0.00 C ATOM 343 C ALA A 358 24.740 7.457 23.299 1.00 0.00 C ATOM 344 O ALA A 358 24.847 8.349 24.139 1.00 0.00 O ATOM 345 CB ALA A 358 22.493 7.365 22.216 1.00 0.00 C ATOM 0 H ALA A 358 24.078 5.954 20.833 1.00 0.00 H new ATOM 0 HA ALA A 358 24.077 8.742 21.722 1.00 0.00 H new ATOM 0 HB1 ALA A 358 22.097 7.980 23.024 1.00 0.00 H new ATOM 0 HB2 ALA A 358 21.939 7.569 21.300 1.00 0.00 H new ATOM 0 HB3 ALA A 358 22.389 6.312 22.477 1.00 0.00 H new ATOM 351 N SER A 359 25.273 6.250 23.455 1.00 0.00 N ATOM 352 CA SER A 359 26.029 5.908 24.654 1.00 0.00 C ATOM 353 C SER A 359 27.473 6.384 24.536 1.00 0.00 C ATOM 354 O SER A 359 28.281 6.176 25.441 1.00 0.00 O ATOM 355 CB SER A 359 26.004 4.396 24.872 1.00 0.00 C ATOM 356 OG SER A 359 25.720 4.122 26.238 1.00 0.00 O ATOM 0 H SER A 359 25.196 5.497 22.771 1.00 0.00 H new ATOM 0 HA SER A 359 25.566 6.406 25.505 1.00 0.00 H new ATOM 0 HB2 SER A 359 25.249 3.937 24.233 1.00 0.00 H new ATOM 0 HB3 SER A 359 26.964 3.961 24.594 1.00 0.00 H new ATOM 0 HG SER A 359 25.702 3.153 26.380 1.00 0.00 H new ATOM 362 N GLY A 360 27.792 7.020 23.414 1.00 0.00 N ATOM 363 CA GLY A 360 29.144 7.518 23.188 1.00 0.00 C ATOM 364 C GLY A 360 29.115 8.893 22.530 1.00 0.00 C ATOM 365 O GLY A 360 29.795 9.129 21.532 1.00 0.00 O ATOM 0 H GLY A 360 27.139 7.202 22.652 1.00 0.00 H new ATOM 0 HA2 GLY A 360 29.678 7.576 24.137 1.00 0.00 H new ATOM 0 HA3 GLY A 360 29.692 6.819 22.556 1.00 0.00 H new ATOM 369 N VAL A 361 28.323 9.797 23.096 1.00 0.00 N ATOM 370 CA VAL A 361 28.214 11.145 22.557 1.00 0.00 C ATOM 371 C VAL A 361 27.482 12.056 23.538 1.00 0.00 C ATOM 372 O VAL A 361 27.082 13.167 23.189 1.00 0.00 O ATOM 373 CB VAL A 361 27.462 11.114 21.225 1.00 0.00 C ATOM 374 CG1 VAL A 361 25.955 11.114 21.486 1.00 0.00 C ATOM 375 CG2 VAL A 361 27.838 12.347 20.399 1.00 0.00 C ATOM 0 H VAL A 361 27.751 9.622 23.922 1.00 0.00 H new ATOM 0 HA VAL A 361 29.219 11.536 22.397 1.00 0.00 H new ATOM 0 HB VAL A 361 27.733 10.212 20.677 1.00 0.00 H new ATOM 0 HG11 VAL A 361 25.421 11.092 20.536 1.00 0.00 H new ATOM 0 HG12 VAL A 361 25.687 10.235 22.073 1.00 0.00 H new ATOM 0 HG13 VAL A 361 25.681 12.015 22.035 1.00 0.00 H new ATOM 0 HG21 VAL A 361 27.303 12.326 19.450 1.00 0.00 H new ATOM 0 HG22 VAL A 361 27.568 13.249 20.948 1.00 0.00 H new ATOM 0 HG23 VAL A 361 28.912 12.345 20.210 1.00 0.00 H new ATOM 385 N VAL A 362 27.314 11.578 24.767 1.00 0.00 N ATOM 386 CA VAL A 362 26.630 12.358 25.791 1.00 0.00 C ATOM 387 C VAL A 362 27.330 12.202 27.137 1.00 0.00 C ATOM 388 O VAL A 362 27.979 11.189 27.398 1.00 0.00 O ATOM 389 CB VAL A 362 25.177 11.899 25.914 1.00 0.00 C ATOM 390 CG1 VAL A 362 25.134 10.494 26.520 1.00 0.00 C ATOM 391 CG2 VAL A 362 24.412 12.867 26.820 1.00 0.00 C ATOM 0 H VAL A 362 27.639 10.662 25.076 1.00 0.00 H new ATOM 0 HA VAL A 362 26.655 13.408 25.499 1.00 0.00 H new ATOM 0 HB VAL A 362 24.717 11.883 24.926 1.00 0.00 H new ATOM 0 HG11 VAL A 362 24.098 10.167 26.608 1.00 0.00 H new ATOM 0 HG12 VAL A 362 25.679 9.803 25.877 1.00 0.00 H new ATOM 0 HG13 VAL A 362 25.594 10.510 27.508 1.00 0.00 H new ATOM 0 HG21 VAL A 362 23.376 12.541 26.908 1.00 0.00 H new ATOM 0 HG22 VAL A 362 24.873 12.882 27.808 1.00 0.00 H new ATOM 0 HG23 VAL A 362 24.442 13.868 26.390 1.00 0.00 H new ATOM 401 N MET A 363 27.194 13.214 27.989 1.00 0.00 N ATOM 402 CA MET A 363 27.819 13.178 29.307 1.00 0.00 C ATOM 403 C MET A 363 26.864 13.720 30.366 1.00 0.00 C ATOM 404 O MET A 363 25.920 13.042 30.769 1.00 0.00 O ATOM 405 CB MET A 363 29.102 14.011 29.300 1.00 0.00 C ATOM 406 CG MET A 363 30.225 13.214 28.634 1.00 0.00 C ATOM 407 SD MET A 363 31.025 12.156 29.866 1.00 0.00 S ATOM 408 CE MET A 363 32.263 11.425 28.768 1.00 0.00 C ATOM 0 H MET A 363 26.662 14.062 27.793 1.00 0.00 H new ATOM 0 HA MET A 363 28.061 12.142 29.546 1.00 0.00 H new ATOM 0 HB2 MET A 363 28.938 14.946 28.764 1.00 0.00 H new ATOM 0 HB3 MET A 363 29.383 14.273 30.320 1.00 0.00 H new ATOM 0 HG2 MET A 363 29.823 12.607 27.823 1.00 0.00 H new ATOM 0 HG3 MET A 363 30.955 13.893 28.192 1.00 0.00 H new ATOM 0 HE1 MET A 363 32.881 10.725 29.331 1.00 0.00 H new ATOM 0 HE2 MET A 363 31.763 10.896 27.957 1.00 0.00 H new ATOM 0 HE3 MET A 363 32.892 12.213 28.354 1.00 0.00 H new ATOM 418 N ARG A 364 27.125 14.945 30.817 1.00 0.00 N ATOM 419 CA ARG A 364 26.291 15.571 31.836 1.00 0.00 C ATOM 420 C ARG A 364 26.256 14.704 33.083 1.00 0.00 C ATOM 421 O ARG A 364 25.251 14.057 33.378 1.00 0.00 O ATOM 422 CB ARG A 364 24.867 15.782 31.309 1.00 0.00 C ATOM 423 CG ARG A 364 24.791 17.118 30.567 1.00 0.00 C ATOM 424 CD ARG A 364 25.816 17.129 29.431 1.00 0.00 C ATOM 425 NE ARG A 364 25.379 18.026 28.366 1.00 0.00 N ATOM 426 CZ ARG A 364 26.148 18.261 27.309 1.00 0.00 C ATOM 427 NH1 ARG A 364 27.315 17.687 27.209 1.00 0.00 N ATOM 428 NH2 ARG A 364 25.735 19.069 26.369 1.00 0.00 N ATOM 0 H ARG A 364 27.903 15.520 30.494 1.00 0.00 H new ATOM 0 HA ARG A 364 26.719 16.542 32.086 1.00 0.00 H new ATOM 0 HB2 ARG A 364 24.590 14.966 30.641 1.00 0.00 H new ATOM 0 HB3 ARG A 364 24.157 15.772 32.136 1.00 0.00 H new ATOM 0 HG2 ARG A 364 23.788 17.268 30.168 1.00 0.00 H new ATOM 0 HG3 ARG A 364 24.986 17.940 31.255 1.00 0.00 H new ATOM 0 HD2 ARG A 364 26.787 17.449 29.810 1.00 0.00 H new ATOM 0 HD3 ARG A 364 25.944 16.121 29.037 1.00 0.00 H new ATOM 0 HE ARG A 364 24.468 18.480 28.435 1.00 0.00 H new ATOM 0 HH11 ARG A 364 27.638 17.057 27.943 1.00 0.00 H new ATOM 0 HH12 ARG A 364 27.905 17.868 26.397 1.00 0.00 H new ATOM 0 HH21 ARG A 364 24.823 19.519 26.447 1.00 0.00 H new ATOM 0 HH22 ARG A 364 26.325 19.250 25.557 1.00 0.00 H new ATOM 442 N PRO A 365 27.340 14.673 33.808 1.00 0.00 N ATOM 443 CA PRO A 365 27.454 13.859 35.042 1.00 0.00 C ATOM 444 C PRO A 365 26.797 14.534 36.243 1.00 0.00 C ATOM 445 O PRO A 365 26.104 13.887 37.029 1.00 0.00 O ATOM 446 CB PRO A 365 28.963 13.726 35.242 1.00 0.00 C ATOM 447 CG PRO A 365 29.564 14.930 34.591 1.00 0.00 C ATOM 448 CD PRO A 365 28.578 15.415 33.526 1.00 0.00 C ATOM 0 HA PRO A 365 26.944 12.900 34.951 1.00 0.00 H new ATOM 0 HB2 PRO A 365 29.216 13.686 36.302 1.00 0.00 H new ATOM 0 HB3 PRO A 365 29.339 12.808 34.790 1.00 0.00 H new ATOM 0 HG2 PRO A 365 29.749 15.712 35.327 1.00 0.00 H new ATOM 0 HG3 PRO A 365 30.525 14.683 34.140 1.00 0.00 H new ATOM 0 HD2 PRO A 365 28.420 16.491 33.592 1.00 0.00 H new ATOM 0 HD3 PRO A 365 28.945 15.208 32.521 1.00 0.00 H new ATOM 456 N LYS A 366 27.018 15.837 36.376 1.00 0.00 N ATOM 457 CA LYS A 366 26.442 16.590 37.484 1.00 0.00 C ATOM 458 C LYS A 366 26.868 15.991 38.820 1.00 0.00 C ATOM 459 O LYS A 366 26.032 15.685 39.669 1.00 0.00 O ATOM 460 CB LYS A 366 24.915 16.582 37.381 1.00 0.00 C ATOM 461 CG LYS A 366 24.496 16.975 35.964 1.00 0.00 C ATOM 462 CD LYS A 366 22.970 16.927 35.850 1.00 0.00 C ATOM 463 CE LYS A 366 22.551 15.634 35.149 1.00 0.00 C ATOM 464 NZ LYS A 366 21.063 15.545 35.119 1.00 0.00 N ATOM 0 H LYS A 366 27.587 16.390 35.736 1.00 0.00 H new ATOM 0 HA LYS A 366 26.805 17.616 37.429 1.00 0.00 H new ATOM 0 HB2 LYS A 366 24.529 15.592 37.624 1.00 0.00 H new ATOM 0 HB3 LYS A 366 24.488 17.277 38.104 1.00 0.00 H new ATOM 0 HG2 LYS A 366 24.857 17.977 35.731 1.00 0.00 H new ATOM 0 HG3 LYS A 366 24.947 16.297 35.239 1.00 0.00 H new ATOM 0 HD2 LYS A 366 22.519 16.979 36.841 1.00 0.00 H new ATOM 0 HD3 LYS A 366 22.609 17.790 35.290 1.00 0.00 H new ATOM 0 HE2 LYS A 366 22.948 15.613 34.134 1.00 0.00 H new ATOM 0 HE3 LYS A 366 22.967 14.773 35.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 20.777 14.666 34.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 20.695 15.547 36.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 20.677 16.360 34.602 1.00 0.00 H new ATOM 478 N LYS A 367 28.175 15.827 38.999 1.00 0.00 N ATOM 479 CA LYS A 367 28.701 15.264 40.236 1.00 0.00 C ATOM 480 C LYS A 367 28.023 15.900 41.445 1.00 0.00 C ATOM 481 O LYS A 367 27.822 15.244 42.468 1.00 0.00 O ATOM 482 CB LYS A 367 30.211 15.495 40.316 1.00 0.00 C ATOM 483 CG LYS A 367 30.943 14.326 39.654 1.00 0.00 C ATOM 484 CD LYS A 367 32.386 14.733 39.349 1.00 0.00 C ATOM 485 CE LYS A 367 33.121 13.561 38.696 1.00 0.00 C ATOM 486 NZ LYS A 367 34.161 13.045 39.629 1.00 0.00 N ATOM 0 H LYS A 367 28.884 16.074 38.309 1.00 0.00 H new ATOM 0 HA LYS A 367 28.497 14.193 40.240 1.00 0.00 H new ATOM 0 HB2 LYS A 367 30.473 16.430 39.820 1.00 0.00 H new ATOM 0 HB3 LYS A 367 30.520 15.589 41.357 1.00 0.00 H new ATOM 0 HG2 LYS A 367 30.931 13.457 40.311 1.00 0.00 H new ATOM 0 HG3 LYS A 367 30.433 14.038 38.735 1.00 0.00 H new ATOM 0 HD2 LYS A 367 32.398 15.598 38.686 1.00 0.00 H new ATOM 0 HD3 LYS A 367 32.894 15.028 40.267 1.00 0.00 H new ATOM 0 HE2 LYS A 367 32.415 12.769 38.447 1.00 0.00 H new ATOM 0 HE3 LYS A 367 33.582 13.882 37.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 34.661 12.248 39.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 34.840 13.802 39.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 33.709 12.723 40.509 1.00 0.00 H new HETATM 500 N NH2 A 368 27.654 17.151 41.389 1.00 0.00 N TER 503 NH2 A 368