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+ 166:sc= 0 (180deg=-0.0886) USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 339 TYR OH : rot 30:sc= -5.64! USER MOD Single : A 340 MET CE :methyl 172:sc= 0 (180deg=-0.12) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot 119:sc= 0.733 USER MOD Single : A 349 HIS : no HD1:sc= -5.07! C(o=-5.1!,f=-5.2!) USER MOD Single : A 351 SER OG : rot 59:sc= 1.06 USER MOD Single : A 354 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot 180:sc= -0.272 USER MOD Single : A 363 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 366 LYS NZ :NH3+ -174:sc= -0.714 (180deg=-0.8) USER MOD Single : A 367 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0208) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 336 37.819 9.272 -6.649 1.00 0.00 C HETATM 2 O ACE A 336 38.749 8.811 -5.988 1.00 0.00 O HETATM 3 CH3 ACE A 336 38.020 9.667 -8.109 1.00 0.00 C HETATM 0 H1 ACE A 336 37.349 9.084 -8.739 1.00 0.00 H new HETATM 0 H2 ACE A 336 37.803 10.728 -8.232 1.00 0.00 H new HETATM 0 H3 ACE A 336 39.052 9.472 -8.400 1.00 0.00 H new ATOM 7 N LYS A 337 36.600 9.461 -6.152 1.00 0.00 N ATOM 8 CA LYS A 337 36.291 9.125 -4.766 1.00 0.00 C ATOM 9 C LYS A 337 34.791 9.231 -4.495 1.00 0.00 C ATOM 10 O LYS A 337 34.373 9.406 -3.349 1.00 0.00 O ATOM 11 CB LYS A 337 37.065 10.052 -3.816 1.00 0.00 C ATOM 12 CG LYS A 337 36.460 11.466 -3.817 1.00 0.00 C ATOM 13 CD LYS A 337 36.310 11.978 -5.252 1.00 0.00 C ATOM 14 CE LYS A 337 36.104 13.494 -5.232 1.00 0.00 C ATOM 15 NZ LYS A 337 37.416 14.170 -5.025 1.00 0.00 N ATOM 0 H LYS A 337 35.817 9.842 -6.683 1.00 0.00 H new ATOM 0 HA LYS A 337 36.595 8.093 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 337 37.044 9.644 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.111 10.099 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.488 11.453 -3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 337 37.097 12.142 -3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 337 37.197 11.728 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.464 11.491 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 337 35.657 13.824 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.412 13.767 -4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 37.323 15.182 -5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 37.713 14.057 -4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 38.129 13.744 -5.651 1.00 0.00 H new ATOM 29 N SER A 338 33.985 9.125 -5.552 1.00 0.00 N ATOM 30 CA SER A 338 32.533 9.216 -5.412 1.00 0.00 C ATOM 31 C SER A 338 31.856 7.901 -5.798 1.00 0.00 C ATOM 32 O SER A 338 31.079 7.851 -6.752 1.00 0.00 O ATOM 33 CB SER A 338 31.999 10.343 -6.297 1.00 0.00 C ATOM 34 OG SER A 338 30.737 10.771 -5.801 1.00 0.00 O ATOM 0 H SER A 338 34.311 8.977 -6.507 1.00 0.00 H new ATOM 0 HA SER A 338 32.306 9.425 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 338 32.701 11.177 -6.307 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.900 9.997 -7.326 1.00 0.00 H new ATOM 0 HG SER A 338 30.392 11.495 -6.365 1.00 0.00 H new ATOM 40 N TYR A 339 32.147 6.844 -5.046 1.00 0.00 N ATOM 41 CA TYR A 339 31.550 5.539 -5.316 1.00 0.00 C ATOM 42 C TYR A 339 32.099 4.483 -4.345 1.00 0.00 C ATOM 43 O TYR A 339 31.778 4.506 -3.158 1.00 0.00 O ATOM 44 CB TYR A 339 31.796 5.135 -6.780 1.00 0.00 C ATOM 45 CG TYR A 339 33.069 5.771 -7.290 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.192 5.885 -6.460 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.118 6.257 -8.603 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.360 6.485 -6.942 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.288 6.857 -9.084 1.00 0.00 C ATOM 50 CZ TYR A 339 35.409 6.971 -8.254 1.00 0.00 C ATOM 51 OH TYR A 339 36.562 7.562 -8.729 1.00 0.00 O ATOM 0 H TYR A 339 32.787 6.864 -4.252 1.00 0.00 H new ATOM 0 HA TYR A 339 30.473 5.605 -5.160 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.866 4.050 -6.859 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.953 5.446 -7.397 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.156 5.510 -5.448 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.253 6.169 -9.244 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.225 6.573 -6.301 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.325 7.232 -10.096 1.00 0.00 H new ATOM 0 HH TYR A 339 37.340 7.169 -8.281 1.00 0.00 H new ATOM 61 N MET A 340 32.925 3.565 -4.846 1.00 0.00 N ATOM 62 CA MET A 340 33.495 2.520 -4.003 1.00 0.00 C ATOM 63 C MET A 340 34.387 3.125 -2.926 1.00 0.00 C ATOM 64 O MET A 340 34.919 2.413 -2.073 1.00 0.00 O ATOM 65 CB MET A 340 34.311 1.552 -4.860 1.00 0.00 C ATOM 66 CG MET A 340 35.459 2.308 -5.532 1.00 0.00 C ATOM 67 SD MET A 340 36.860 2.417 -4.390 1.00 0.00 S ATOM 68 CE MET A 340 37.715 3.786 -5.210 1.00 0.00 C ATOM 0 H MET A 340 33.211 3.525 -5.824 1.00 0.00 H new ATOM 0 HA MET A 340 32.679 1.982 -3.520 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.705 0.746 -4.241 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.673 1.092 -5.615 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.760 1.796 -6.446 1.00 0.00 H new ATOM 0 HG3 MET A 340 35.132 3.307 -5.819 1.00 0.00 H new ATOM 0 HE1 MET A 340 38.547 4.119 -4.590 1.00 0.00 H new ATOM 0 HE2 MET A 340 38.094 3.452 -6.176 1.00 0.00 H new ATOM 0 HE3 MET A 340 37.020 4.612 -5.359 1.00 0.00 H new ATOM 78 N ALA A 341 34.546 4.438 -2.976 1.00 0.00 N ATOM 79 CA ALA A 341 35.378 5.136 -2.006 1.00 0.00 C ATOM 80 C ALA A 341 34.544 5.626 -0.830 1.00 0.00 C ATOM 81 O ALA A 341 35.040 5.742 0.292 1.00 0.00 O ATOM 82 CB ALA A 341 36.046 6.335 -2.673 1.00 0.00 C ATOM 0 H ALA A 341 34.112 5.041 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 341 36.133 4.440 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.668 6.856 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.666 5.992 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.281 7.015 -3.049 1.00 0.00 H new ATOM 88 N TYR A 342 33.281 5.934 -1.096 1.00 0.00 N ATOM 89 CA TYR A 342 32.395 6.434 -0.056 1.00 0.00 C ATOM 90 C TYR A 342 31.536 5.317 0.537 1.00 0.00 C ATOM 91 O TYR A 342 31.417 5.204 1.757 1.00 0.00 O ATOM 92 CB TYR A 342 31.505 7.536 -0.631 1.00 0.00 C ATOM 93 CG TYR A 342 30.179 6.948 -1.036 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.151 6.814 -0.095 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.977 6.530 -2.357 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.922 6.261 -0.474 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.748 5.978 -2.737 1.00 0.00 C ATOM 98 CZ TYR A 342 27.721 5.843 -1.795 1.00 0.00 C ATOM 99 OH TYR A 342 26.509 5.299 -2.169 1.00 0.00 O ATOM 0 H TYR A 342 32.851 5.847 -2.017 1.00 0.00 H new ATOM 0 HA TYR A 342 33.008 6.839 0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.356 8.322 0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.989 7.997 -1.492 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.306 7.137 0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.770 6.634 -3.083 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.129 6.157 0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.592 5.656 -3.756 1.00 0.00 H new ATOM 0 HH TYR A 342 26.536 5.063 -3.120 1.00 0.00 H new ATOM 109 N LEU A 343 30.933 4.497 -0.322 1.00 0.00 N ATOM 110 CA LEU A 343 30.089 3.408 0.159 1.00 0.00 C ATOM 111 C LEU A 343 30.909 2.425 0.988 1.00 0.00 C ATOM 112 O LEU A 343 30.361 1.651 1.772 1.00 0.00 O ATOM 113 CB LEU A 343 29.413 2.686 -1.018 1.00 0.00 C ATOM 114 CG LEU A 343 30.400 1.732 -1.707 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.236 0.307 -1.165 1.00 0.00 C ATOM 116 CD2 LEU A 343 30.113 1.721 -3.211 1.00 0.00 C ATOM 0 H LEU A 343 31.011 4.564 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 343 29.311 3.831 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.548 2.127 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 343 29.044 3.418 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 343 31.416 2.074 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 343 30.943 -0.356 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.429 0.301 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.220 -0.039 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.809 1.046 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 343 29.092 1.382 -3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 343 30.234 2.727 -3.612 1.00 0.00 H new ATOM 128 N SER A 344 32.224 2.467 0.814 1.00 0.00 N ATOM 129 CA SER A 344 33.111 1.582 1.559 1.00 0.00 C ATOM 130 C SER A 344 33.495 2.221 2.889 1.00 0.00 C ATOM 131 O SER A 344 34.251 1.645 3.671 1.00 0.00 O ATOM 132 CB SER A 344 34.372 1.295 0.743 1.00 0.00 C ATOM 133 OG SER A 344 34.051 0.410 -0.321 1.00 0.00 O ATOM 0 H SER A 344 32.697 3.099 0.169 1.00 0.00 H new ATOM 0 HA SER A 344 32.588 0.645 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.782 2.224 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 344 35.139 0.854 1.380 1.00 0.00 H new ATOM 0 HG SER A 344 34.237 0.847 -1.178 1.00 0.00 H new ATOM 139 N ALA A 345 32.967 3.418 3.131 1.00 0.00 N ATOM 140 CA ALA A 345 33.251 4.144 4.366 1.00 0.00 C ATOM 141 C ALA A 345 31.975 4.349 5.173 1.00 0.00 C ATOM 142 O ALA A 345 31.954 5.119 6.134 1.00 0.00 O ATOM 143 CB ALA A 345 33.868 5.504 4.035 1.00 0.00 C ATOM 0 H ALA A 345 32.341 3.905 2.490 1.00 0.00 H new ATOM 0 HA ALA A 345 33.952 3.557 4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.078 6.043 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.795 5.358 3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.171 6.082 3.429 1.00 0.00 H new ATOM 149 N GLU A 346 30.910 3.661 4.775 1.00 0.00 N ATOM 150 CA GLU A 346 29.633 3.783 5.468 1.00 0.00 C ATOM 151 C GLU A 346 28.889 2.451 5.462 1.00 0.00 C ATOM 152 O GLU A 346 27.797 2.341 4.904 1.00 0.00 O ATOM 153 CB GLU A 346 28.775 4.850 4.790 1.00 0.00 C ATOM 154 CG GLU A 346 28.679 4.548 3.294 1.00 0.00 C ATOM 155 CD GLU A 346 27.227 4.641 2.836 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.551 5.560 3.265 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.815 3.790 2.066 1.00 0.00 O ATOM 0 H GLU A 346 30.905 3.018 3.983 1.00 0.00 H new ATOM 0 HA GLU A 346 29.827 4.072 6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.779 4.868 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.211 5.837 4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.292 5.253 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.070 3.551 3.090 1.00 0.00 H new ATOM 164 N LEU A 347 29.489 1.444 6.084 1.00 0.00 N ATOM 165 CA LEU A 347 28.878 0.122 6.145 1.00 0.00 C ATOM 166 C LEU A 347 29.050 -0.483 7.536 1.00 0.00 C ATOM 167 O LEU A 347 28.666 -1.627 7.779 1.00 0.00 O ATOM 168 CB LEU A 347 29.519 -0.796 5.104 1.00 0.00 C ATOM 169 CG LEU A 347 31.035 -0.807 5.304 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.499 -2.229 5.623 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.720 -0.322 4.025 1.00 0.00 C ATOM 0 H LEU A 347 30.393 1.516 6.551 1.00 0.00 H new ATOM 0 HA LEU A 347 27.813 0.223 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.121 -1.806 5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.276 -0.451 4.099 1.00 0.00 H new ATOM 0 HG LEU A 347 31.297 -0.147 6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.580 -2.236 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 347 31.011 -2.575 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.238 -2.891 4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.801 -0.329 4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.457 -0.983 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.391 0.692 3.798 1.00 0.00 H new ATOM 183 N PHE A 348 29.635 0.293 8.443 1.00 0.00 N ATOM 184 CA PHE A 348 29.863 -0.175 9.804 1.00 0.00 C ATOM 185 C PHE A 348 29.623 0.951 10.805 1.00 0.00 C ATOM 186 O PHE A 348 29.727 0.753 12.015 1.00 0.00 O ATOM 187 CB PHE A 348 31.301 -0.680 9.941 1.00 0.00 C ATOM 188 CG PHE A 348 32.161 -0.042 8.872 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.089 1.337 8.646 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.029 -0.833 8.109 1.00 0.00 C ATOM 191 CE1 PHE A 348 32.884 1.926 7.656 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.824 -0.243 7.119 1.00 0.00 C ATOM 193 CZ PHE A 348 33.752 1.136 6.893 1.00 0.00 C ATOM 0 H PHE A 348 29.958 1.243 8.261 1.00 0.00 H new ATOM 0 HA PHE A 348 29.166 -0.987 10.014 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.691 -0.438 10.930 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.328 -1.765 9.845 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.420 1.947 9.235 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.085 -1.897 8.284 1.00 0.00 H new ATOM 0 HE1 PHE A 348 32.828 2.990 7.481 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.493 -0.852 6.530 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.366 1.591 6.130 1.00 0.00 H new ATOM 203 N HIS A 349 29.319 2.138 10.288 1.00 0.00 N ATOM 204 CA HIS A 349 29.083 3.296 11.142 1.00 0.00 C ATOM 205 C HIS A 349 27.864 3.084 12.037 1.00 0.00 C ATOM 206 O HIS A 349 27.444 3.996 12.750 1.00 0.00 O ATOM 207 CB HIS A 349 28.888 4.550 10.288 1.00 0.00 C ATOM 208 CG HIS A 349 27.597 4.459 9.523 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.438 5.087 9.952 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.267 3.826 8.350 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.475 4.822 9.051 1.00 0.00 C ATOM 212 NE2 HIS A 349 25.928 4.057 8.054 1.00 0.00 N ATOM 0 H HIS A 349 29.231 2.322 9.289 1.00 0.00 H new ATOM 0 HA HIS A 349 29.957 3.426 11.780 1.00 0.00 H new ATOM 0 HB2 HIS A 349 28.881 5.435 10.924 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.723 4.661 9.596 1.00 0.00 H new ATOM 0 HD2 HIS A 349 27.944 3.238 7.749 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.460 5.183 9.125 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.404 3.715 7.248 1.00 0.00 H new ATOM 220 N LEU A 350 27.304 1.877 11.994 1.00 0.00 N ATOM 221 CA LEU A 350 26.140 1.546 12.799 1.00 0.00 C ATOM 222 C LEU A 350 26.493 0.485 13.835 1.00 0.00 C ATOM 223 O LEU A 350 26.565 0.765 15.019 1.00 0.00 O ATOM 224 CB LEU A 350 25.008 1.019 11.907 1.00 0.00 C ATOM 225 CG LEU A 350 25.586 0.442 10.612 1.00 0.00 C ATOM 226 CD1 LEU A 350 24.596 -0.560 10.015 1.00 0.00 C ATOM 227 CD2 LEU A 350 25.828 1.571 9.609 1.00 0.00 C ATOM 0 H LEU A 350 27.641 1.114 11.408 1.00 0.00 H new ATOM 0 HA LEU A 350 25.811 2.452 13.308 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.444 0.251 12.437 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.311 1.825 11.676 1.00 0.00 H new ATOM 0 HG LEU A 350 26.529 -0.059 10.830 1.00 0.00 H new ATOM 0 HD11 LEU A 350 25.006 -0.972 9.093 1.00 0.00 H new ATOM 0 HD12 LEU A 350 24.422 -1.367 10.727 1.00 0.00 H new ATOM 0 HD13 LEU A 350 23.654 -0.056 9.800 1.00 0.00 H new ATOM 0 HD21 LEU A 350 26.239 1.158 8.688 1.00 0.00 H new ATOM 0 HD22 LEU A 350 24.885 2.073 9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 350 26.532 2.288 10.031 1.00 0.00 H new ATOM 239 N SER A 351 26.700 -0.738 13.373 1.00 0.00 N ATOM 240 CA SER A 351 27.025 -1.849 14.269 1.00 0.00 C ATOM 241 C SER A 351 28.067 -1.459 15.320 1.00 0.00 C ATOM 242 O SER A 351 29.259 -1.705 15.140 1.00 0.00 O ATOM 243 CB SER A 351 27.543 -3.036 13.458 1.00 0.00 C ATOM 244 OG SER A 351 28.879 -2.777 13.048 1.00 0.00 O ATOM 0 H SER A 351 26.650 -0.991 12.386 1.00 0.00 H new ATOM 0 HA SER A 351 26.109 -2.121 14.793 1.00 0.00 H new ATOM 0 HB2 SER A 351 27.504 -3.946 14.057 1.00 0.00 H new ATOM 0 HB3 SER A 351 26.909 -3.201 12.587 1.00 0.00 H new ATOM 0 HG SER A 351 29.440 -2.629 13.837 1.00 0.00 H new ATOM 250 N GLY A 352 27.610 -0.857 16.420 1.00 0.00 N ATOM 251 CA GLY A 352 28.511 -0.445 17.490 1.00 0.00 C ATOM 252 C GLY A 352 28.214 0.990 17.870 1.00 0.00 C ATOM 253 O GLY A 352 28.141 1.342 19.048 1.00 0.00 O ATOM 0 H GLY A 352 26.627 -0.646 16.590 1.00 0.00 H new ATOM 0 HA2 GLY A 352 28.387 -1.096 18.356 1.00 0.00 H new ATOM 0 HA3 GLY A 352 29.547 -0.540 17.165 1.00 0.00 H new ATOM 257 N ILE A 353 28.020 1.802 16.848 1.00 0.00 N ATOM 258 CA ILE A 353 27.701 3.202 17.035 1.00 0.00 C ATOM 259 C ILE A 353 26.190 3.383 16.987 1.00 0.00 C ATOM 260 O ILE A 353 25.653 4.404 17.413 1.00 0.00 O ATOM 261 CB ILE A 353 28.355 4.010 15.919 1.00 0.00 C ATOM 262 CG1 ILE A 353 29.874 3.971 16.095 1.00 0.00 C ATOM 263 CG2 ILE A 353 27.867 5.457 15.974 1.00 0.00 C ATOM 264 CD1 ILE A 353 30.537 3.677 14.748 1.00 0.00 C ATOM 0 H ILE A 353 28.079 1.511 15.872 1.00 0.00 H new ATOM 0 HA ILE A 353 28.072 3.546 18.000 1.00 0.00 H new ATOM 0 HB ILE A 353 28.087 3.582 14.953 1.00 0.00 H new ATOM 0 HG12 ILE A 353 30.230 4.924 16.487 1.00 0.00 H new ATOM 0 HG13 ILE A 353 30.147 3.206 16.821 1.00 0.00 H new ATOM 0 HG21 ILE A 353 28.337 6.030 15.175 1.00 0.00 H new ATOM 0 HG22 ILE A 353 26.784 5.481 15.849 1.00 0.00 H new ATOM 0 HG23 ILE A 353 28.131 5.894 16.937 1.00 0.00 H new ATOM 0 HD11 ILE A 353 31.619 3.649 14.874 1.00 0.00 H new ATOM 0 HD12 ILE A 353 30.190 2.714 14.374 1.00 0.00 H new ATOM 0 HD13 ILE A 353 30.274 4.458 14.035 1.00 0.00 H new ATOM 276 N MET A 354 25.518 2.364 16.456 1.00 0.00 N ATOM 277 CA MET A 354 24.070 2.373 16.323 1.00 0.00 C ATOM 278 C MET A 354 23.401 2.216 17.682 1.00 0.00 C ATOM 279 O MET A 354 22.407 2.875 17.984 1.00 0.00 O ATOM 280 CB MET A 354 23.623 1.227 15.416 1.00 0.00 C ATOM 281 CG MET A 354 24.067 -0.109 16.015 1.00 0.00 C ATOM 282 SD MET A 354 22.767 -0.745 17.102 1.00 0.00 S ATOM 283 CE MET A 354 23.260 -2.485 17.052 1.00 0.00 C ATOM 0 H MET A 354 25.963 1.514 16.108 1.00 0.00 H new ATOM 0 HA MET A 354 23.776 3.329 15.889 1.00 0.00 H new ATOM 0 HB2 MET A 354 22.539 1.243 15.302 1.00 0.00 H new ATOM 0 HB3 MET A 354 24.050 1.350 14.421 1.00 0.00 H new ATOM 0 HG2 MET A 354 24.274 -0.825 15.220 1.00 0.00 H new ATOM 0 HG3 MET A 354 24.993 0.021 16.575 1.00 0.00 H new ATOM 0 HE1 MET A 354 22.580 -3.074 17.668 1.00 0.00 H new ATOM 0 HE2 MET A 354 23.222 -2.844 16.024 1.00 0.00 H new ATOM 0 HE3 MET A 354 24.276 -2.587 17.435 1.00 0.00 H new ATOM 293 N ALA A 355 23.959 1.323 18.488 1.00 0.00 N ATOM 294 CA ALA A 355 23.430 1.050 19.815 1.00 0.00 C ATOM 295 C ALA A 355 23.566 2.274 20.703 1.00 0.00 C ATOM 296 O ALA A 355 23.041 2.303 21.817 1.00 0.00 O ATOM 297 CB ALA A 355 24.187 -0.122 20.439 1.00 0.00 C ATOM 0 H ALA A 355 24.782 0.773 18.243 1.00 0.00 H new ATOM 0 HA ALA A 355 22.374 0.797 19.725 1.00 0.00 H new ATOM 0 HB1 ALA A 355 23.789 -0.324 21.433 1.00 0.00 H new ATOM 0 HB2 ALA A 355 24.068 -1.007 19.813 1.00 0.00 H new ATOM 0 HB3 ALA A 355 25.245 0.128 20.516 1.00 0.00 H new ATOM 303 N LEU A 356 24.267 3.285 20.203 1.00 0.00 N ATOM 304 CA LEU A 356 24.458 4.510 20.960 1.00 0.00 C ATOM 305 C LEU A 356 24.189 5.720 20.078 1.00 0.00 C ATOM 306 O LEU A 356 24.203 6.851 20.561 1.00 0.00 O ATOM 307 CB LEU A 356 25.877 4.581 21.537 1.00 0.00 C ATOM 308 CG LEU A 356 26.910 4.415 20.424 1.00 0.00 C ATOM 309 CD1 LEU A 356 27.475 5.783 20.037 1.00 0.00 C ATOM 310 CD2 LEU A 356 28.049 3.520 20.920 1.00 0.00 C ATOM 0 H LEU A 356 24.708 3.279 19.283 1.00 0.00 H new ATOM 0 HA LEU A 356 23.751 4.512 21.790 1.00 0.00 H new ATOM 0 HB2 LEU A 356 26.025 5.536 22.040 1.00 0.00 H new ATOM 0 HB3 LEU A 356 26.012 3.801 22.287 1.00 0.00 H new ATOM 0 HG LEU A 356 26.435 3.960 19.555 1.00 0.00 H new ATOM 0 HD11 LEU A 356 28.212 5.661 19.243 1.00 0.00 H new ATOM 0 HD12 LEU A 356 26.667 6.425 19.687 1.00 0.00 H new ATOM 0 HD13 LEU A 356 27.950 6.239 20.905 1.00 0.00 H new ATOM 0 HD21 LEU A 356 28.788 3.399 20.128 1.00 0.00 H new ATOM 0 HD22 LEU A 356 28.520 3.979 21.789 1.00 0.00 H new ATOM 0 HD23 LEU A 356 27.651 2.544 21.196 1.00 0.00 H new ATOM 322 N ILE A 357 23.933 5.479 18.786 1.00 0.00 N ATOM 323 CA ILE A 357 23.647 6.581 17.869 1.00 0.00 C ATOM 324 C ILE A 357 22.757 7.597 18.571 1.00 0.00 C ATOM 325 O ILE A 357 22.893 8.806 18.375 1.00 0.00 O ATOM 326 CB ILE A 357 22.936 6.049 16.596 1.00 0.00 C ATOM 327 CG1 ILE A 357 23.894 6.055 15.389 1.00 0.00 C ATOM 328 CG2 ILE A 357 21.700 6.896 16.244 1.00 0.00 C ATOM 329 CD1 ILE A 357 24.446 7.461 15.139 1.00 0.00 C ATOM 0 H ILE A 357 23.919 4.551 18.362 1.00 0.00 H new ATOM 0 HA ILE A 357 24.583 7.055 17.573 1.00 0.00 H new ATOM 0 HB ILE A 357 22.621 5.029 16.814 1.00 0.00 H new ATOM 0 HG12 ILE A 357 24.717 5.363 15.569 1.00 0.00 H new ATOM 0 HG13 ILE A 357 23.369 5.702 14.501 1.00 0.00 H new ATOM 0 HG21 ILE A 357 21.227 6.495 15.348 1.00 0.00 H new ATOM 0 HG22 ILE A 357 20.991 6.867 17.072 1.00 0.00 H new ATOM 0 HG23 ILE A 357 22.005 7.927 16.063 1.00 0.00 H new ATOM 0 HD11 ILE A 357 25.120 7.440 14.282 1.00 0.00 H new ATOM 0 HD12 ILE A 357 23.622 8.145 14.936 1.00 0.00 H new ATOM 0 HD13 ILE A 357 24.990 7.800 16.020 1.00 0.00 H new ATOM 341 N ALA A 358 21.842 7.089 19.387 1.00 0.00 N ATOM 342 CA ALA A 358 20.919 7.951 20.118 1.00 0.00 C ATOM 343 C ALA A 358 21.462 8.273 21.507 1.00 0.00 C ATOM 344 O ALA A 358 21.114 9.295 22.098 1.00 0.00 O ATOM 345 CB ALA A 358 19.558 7.267 20.246 1.00 0.00 C ATOM 0 H ALA A 358 21.719 6.091 19.559 1.00 0.00 H new ATOM 0 HA ALA A 358 20.809 8.882 19.563 1.00 0.00 H new ATOM 0 HB1 ALA A 358 18.874 7.916 20.793 1.00 0.00 H new ATOM 0 HB2 ALA A 358 19.155 7.070 19.253 1.00 0.00 H new ATOM 0 HB3 ALA A 358 19.673 6.326 20.784 1.00 0.00 H new ATOM 351 N SER A 359 22.311 7.393 22.024 1.00 0.00 N ATOM 352 CA SER A 359 22.891 7.591 23.346 1.00 0.00 C ATOM 353 C SER A 359 24.203 8.362 23.251 1.00 0.00 C ATOM 354 O SER A 359 24.859 8.615 24.262 1.00 0.00 O ATOM 355 CB SER A 359 23.135 6.237 24.010 1.00 0.00 C ATOM 356 OG SER A 359 24.510 5.896 23.889 1.00 0.00 O ATOM 0 H SER A 359 22.612 6.541 21.551 1.00 0.00 H new ATOM 0 HA SER A 359 22.192 8.172 23.947 1.00 0.00 H new ATOM 0 HB2 SER A 359 22.850 6.278 25.061 1.00 0.00 H new ATOM 0 HB3 SER A 359 22.516 5.472 23.541 1.00 0.00 H new ATOM 0 HG SER A 359 24.671 5.028 24.316 1.00 0.00 H new ATOM 362 N GLY A 360 24.581 8.733 22.033 1.00 0.00 N ATOM 363 CA GLY A 360 25.819 9.475 21.820 1.00 0.00 C ATOM 364 C GLY A 360 25.632 10.557 20.763 1.00 0.00 C ATOM 365 O GLY A 360 26.363 10.605 19.774 1.00 0.00 O ATOM 0 H GLY A 360 24.053 8.534 21.183 1.00 0.00 H new ATOM 0 HA2 GLY A 360 26.141 9.929 22.757 1.00 0.00 H new ATOM 0 HA3 GLY A 360 26.609 8.791 21.509 1.00 0.00 H new ATOM 369 N VAL A 361 24.649 11.424 20.979 1.00 0.00 N ATOM 370 CA VAL A 361 24.375 12.504 20.037 1.00 0.00 C ATOM 371 C VAL A 361 23.339 13.465 20.613 1.00 0.00 C ATOM 372 O VAL A 361 22.875 14.376 19.929 1.00 0.00 O ATOM 373 CB VAL A 361 23.865 11.929 18.715 1.00 0.00 C ATOM 374 CG1 VAL A 361 22.353 11.706 18.801 1.00 0.00 C ATOM 375 CG2 VAL A 361 24.171 12.909 17.579 1.00 0.00 C ATOM 0 H VAL A 361 24.033 11.401 21.791 1.00 0.00 H new ATOM 0 HA VAL A 361 25.301 13.050 19.859 1.00 0.00 H new ATOM 0 HB VAL A 361 24.361 10.978 18.520 1.00 0.00 H new ATOM 0 HG11 VAL A 361 21.991 11.296 17.858 1.00 0.00 H new ATOM 0 HG12 VAL A 361 22.134 11.007 19.608 1.00 0.00 H new ATOM 0 HG13 VAL A 361 21.856 12.656 18.998 1.00 0.00 H new ATOM 0 HG21 VAL A 361 23.807 12.499 16.637 1.00 0.00 H new ATOM 0 HG22 VAL A 361 23.676 13.860 17.776 1.00 0.00 H new ATOM 0 HG23 VAL A 361 25.248 13.067 17.515 1.00 0.00 H new ATOM 385 N VAL A 362 22.982 13.252 21.875 1.00 0.00 N ATOM 386 CA VAL A 362 22.000 14.105 22.535 1.00 0.00 C ATOM 387 C VAL A 362 22.683 15.297 23.197 1.00 0.00 C ATOM 388 O VAL A 362 23.721 15.149 23.842 1.00 0.00 O ATOM 389 CB VAL A 362 21.236 13.301 23.587 1.00 0.00 C ATOM 390 CG1 VAL A 362 22.223 12.475 24.414 1.00 0.00 C ATOM 391 CG2 VAL A 362 20.478 14.260 24.509 1.00 0.00 C ATOM 0 H VAL A 362 23.354 12.502 22.458 1.00 0.00 H new ATOM 0 HA VAL A 362 21.303 14.474 21.783 1.00 0.00 H new ATOM 0 HB VAL A 362 20.529 12.635 23.092 1.00 0.00 H new ATOM 0 HG11 VAL A 362 21.678 11.902 25.164 1.00 0.00 H new ATOM 0 HG12 VAL A 362 22.765 11.793 23.759 1.00 0.00 H new ATOM 0 HG13 VAL A 362 22.930 13.141 24.909 1.00 0.00 H new ATOM 0 HG21 VAL A 362 19.933 13.688 25.260 1.00 0.00 H new ATOM 0 HG22 VAL A 362 21.186 14.925 25.003 1.00 0.00 H new ATOM 0 HG23 VAL A 362 19.775 14.850 23.921 1.00 0.00 H new ATOM 401 N MET A 363 22.092 16.476 23.034 1.00 0.00 N ATOM 402 CA MET A 363 22.653 17.687 23.622 1.00 0.00 C ATOM 403 C MET A 363 21.542 18.656 24.014 1.00 0.00 C ATOM 404 O MET A 363 20.688 18.335 24.840 1.00 0.00 O ATOM 405 CB MET A 363 23.592 18.366 22.623 1.00 0.00 C ATOM 406 CG MET A 363 24.646 17.365 22.149 1.00 0.00 C ATOM 407 SD MET A 363 25.929 18.236 21.215 1.00 0.00 S ATOM 408 CE MET A 363 27.334 17.248 21.784 1.00 0.00 C ATOM 0 H MET A 363 21.232 16.619 22.504 1.00 0.00 H new ATOM 0 HA MET A 363 23.211 17.409 24.516 1.00 0.00 H new ATOM 0 HB2 MET A 363 23.024 18.742 21.772 1.00 0.00 H new ATOM 0 HB3 MET A 363 24.075 19.225 23.088 1.00 0.00 H new ATOM 0 HG2 MET A 363 25.088 16.854 23.004 1.00 0.00 H new ATOM 0 HG3 MET A 363 24.183 16.601 21.525 1.00 0.00 H new ATOM 0 HE1 MET A 363 28.250 17.619 21.323 1.00 0.00 H new ATOM 0 HE2 MET A 363 27.417 17.324 22.868 1.00 0.00 H new ATOM 0 HE3 MET A 363 27.183 16.206 21.504 1.00 0.00 H new ATOM 418 N ARG A 364 21.561 19.842 23.415 1.00 0.00 N ATOM 419 CA ARG A 364 20.551 20.851 23.707 1.00 0.00 C ATOM 420 C ARG A 364 20.291 21.719 22.482 1.00 0.00 C ATOM 421 O ARG A 364 20.394 22.944 22.541 1.00 0.00 O ATOM 422 CB ARG A 364 21.011 21.730 24.872 1.00 0.00 C ATOM 423 CG ARG A 364 19.792 22.340 25.567 1.00 0.00 C ATOM 424 CD ARG A 364 19.348 21.430 26.713 1.00 0.00 C ATOM 425 NE ARG A 364 18.150 21.967 27.348 1.00 0.00 N ATOM 426 CZ ARG A 364 17.357 21.196 28.085 1.00 0.00 C ATOM 427 NH1 ARG A 364 17.645 19.934 28.251 1.00 0.00 N ATOM 428 NH2 ARG A 364 16.290 21.701 28.642 1.00 0.00 N ATOM 0 H ARG A 364 22.260 20.126 22.729 1.00 0.00 H new ATOM 0 HA ARG A 364 19.626 20.343 23.980 1.00 0.00 H new ATOM 0 HB2 ARG A 364 21.588 21.138 25.582 1.00 0.00 H new ATOM 0 HB3 ARG A 364 21.668 22.520 24.508 1.00 0.00 H new ATOM 0 HG2 ARG A 364 20.037 23.331 25.950 1.00 0.00 H new ATOM 0 HG3 ARG A 364 18.978 22.466 24.853 1.00 0.00 H new ATOM 0 HD2 ARG A 364 19.149 20.427 26.335 1.00 0.00 H new ATOM 0 HD3 ARG A 364 20.149 21.341 27.447 1.00 0.00 H new ATOM 0 HE ARG A 364 17.916 22.952 27.224 1.00 0.00 H new ATOM 0 HH11 ARG A 364 18.479 19.540 27.815 1.00 0.00 H new ATOM 0 HH12 ARG A 364 17.037 19.342 28.817 1.00 0.00 H new ATOM 0 HH21 ARG A 364 16.065 22.687 28.512 1.00 0.00 H new ATOM 0 HH22 ARG A 364 15.681 21.109 29.208 1.00 0.00 H new ATOM 442 N PRO A 365 19.956 21.103 21.381 1.00 0.00 N ATOM 443 CA PRO A 365 19.669 21.824 20.104 1.00 0.00 C ATOM 444 C PRO A 365 18.411 22.683 20.199 1.00 0.00 C ATOM 445 O PRO A 365 18.384 23.817 19.721 1.00 0.00 O ATOM 446 CB PRO A 365 19.481 20.697 19.084 1.00 0.00 C ATOM 447 CG PRO A 365 19.115 19.494 19.888 1.00 0.00 C ATOM 448 CD PRO A 365 19.816 19.647 21.231 1.00 0.00 C ATOM 0 HA PRO A 365 20.467 22.517 19.839 1.00 0.00 H new ATOM 0 HB2 PRO A 365 18.699 20.943 18.366 1.00 0.00 H new ATOM 0 HB3 PRO A 365 20.394 20.526 18.514 1.00 0.00 H new ATOM 0 HG2 PRO A 365 18.035 19.428 20.019 1.00 0.00 H new ATOM 0 HG3 PRO A 365 19.432 18.580 19.386 1.00 0.00 H new ATOM 0 HD2 PRO A 365 19.229 19.215 22.042 1.00 0.00 H new ATOM 0 HD3 PRO A 365 20.785 19.148 21.237 1.00 0.00 H new ATOM 456 N LYS A 366 17.369 22.132 20.816 1.00 0.00 N ATOM 457 CA LYS A 366 16.111 22.854 20.965 1.00 0.00 C ATOM 458 C LYS A 366 15.539 23.220 19.599 1.00 0.00 C ATOM 459 O LYS A 366 15.172 24.371 19.358 1.00 0.00 O ATOM 460 CB LYS A 366 16.328 24.126 21.787 1.00 0.00 C ATOM 461 CG LYS A 366 17.138 23.793 23.042 1.00 0.00 C ATOM 462 CD LYS A 366 17.371 25.069 23.854 1.00 0.00 C ATOM 463 CE LYS A 366 18.671 25.736 23.401 1.00 0.00 C ATOM 464 NZ LYS A 366 19.832 24.922 23.859 1.00 0.00 N ATOM 0 H LYS A 366 17.371 21.195 21.218 1.00 0.00 H new ATOM 0 HA LYS A 366 15.403 22.206 21.482 1.00 0.00 H new ATOM 0 HB2 LYS A 366 16.853 24.872 21.190 1.00 0.00 H new ATOM 0 HB3 LYS A 366 15.368 24.559 22.066 1.00 0.00 H new ATOM 0 HG2 LYS A 366 16.607 23.057 23.646 1.00 0.00 H new ATOM 0 HG3 LYS A 366 18.093 23.347 22.764 1.00 0.00 H new ATOM 0 HD2 LYS A 366 16.534 25.754 23.722 1.00 0.00 H new ATOM 0 HD3 LYS A 366 17.424 24.831 24.916 1.00 0.00 H new ATOM 0 HE2 LYS A 366 18.685 25.830 22.315 1.00 0.00 H new ATOM 0 HE3 LYS A 366 18.736 26.745 23.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 20.716 25.425 23.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 19.765 24.768 24.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 19.827 24.004 23.371 1.00 0.00 H new ATOM 478 N LYS A 367 15.467 22.235 18.710 1.00 0.00 N ATOM 479 CA LYS A 367 14.938 22.466 17.371 1.00 0.00 C ATOM 480 C LYS A 367 13.552 23.100 17.444 1.00 0.00 C ATOM 481 O LYS A 367 13.405 24.306 17.247 1.00 0.00 O ATOM 482 CB LYS A 367 14.857 21.144 16.606 1.00 0.00 C ATOM 483 CG LYS A 367 16.228 20.467 16.611 1.00 0.00 C ATOM 484 CD LYS A 367 16.141 19.130 15.871 1.00 0.00 C ATOM 485 CE LYS A 367 15.783 18.020 16.862 1.00 0.00 C ATOM 486 NZ LYS A 367 17.007 17.602 17.604 1.00 0.00 N ATOM 0 H LYS A 367 15.766 21.277 18.890 1.00 0.00 H new ATOM 0 HA LYS A 367 15.609 23.147 16.848 1.00 0.00 H new ATOM 0 HB2 LYS A 367 14.115 20.491 17.065 1.00 0.00 H new ATOM 0 HB3 LYS A 367 14.532 21.324 15.581 1.00 0.00 H new ATOM 0 HG2 LYS A 367 16.965 21.112 16.133 1.00 0.00 H new ATOM 0 HG3 LYS A 367 16.562 20.306 17.636 1.00 0.00 H new ATOM 0 HD2 LYS A 367 15.389 19.186 15.084 1.00 0.00 H new ATOM 0 HD3 LYS A 367 17.092 18.907 15.387 1.00 0.00 H new ATOM 0 HE2 LYS A 367 15.024 18.372 17.560 1.00 0.00 H new ATOM 0 HE3 LYS A 367 15.357 17.168 16.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 16.736 17.210 18.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 17.515 16.878 17.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 17.625 18.426 17.746 1.00 0.00 H new HETATM 500 N NH2 A 368 12.519 22.352 17.717 1.00 0.00 N TER 503 NH2 A 368