USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=11 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+ -164:sc= 0 (180deg=-0.167) USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 339 TYR OH : rot 29:sc= -5.4! USER MOD Single : A 340 MET CE :methyl -121:sc= -0.006 (180deg=-2.71!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -18:sc= 0.791 USER MOD Single : A 349 HIS : no HD1:sc= -3.77 K(o=-3.8,f=-1.9) USER MOD Single : A 351 SER OG : rot 180:sc= 0 USER MOD Single : A 354 MET CE :methyl 161:sc= -0.46 (180deg=-1.95!) 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+ -177:sc= -2.68! (180deg=-2.77!) USER MOD Single : A 367 LYS NZ :NH3+ -156:sc= -0.0963 (180deg=-1.1) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 336 37.702 9.235 -6.585 1.00 0.00 C HETATM 2 O ACE A 336 38.613 8.647 -6.003 1.00 0.00 O HETATM 3 CH3 ACE A 336 37.881 9.731 -8.017 1.00 0.00 C HETATM 0 H1 ACE A 336 37.140 9.258 -8.661 1.00 0.00 H new HETATM 0 H2 ACE A 336 37.750 10.813 -8.046 1.00 0.00 H new HETATM 0 H3 ACE A 336 38.881 9.477 -8.368 1.00 0.00 H new ATOM 7 N LYS A 337 36.523 9.481 -6.023 1.00 0.00 N ATOM 8 CA LYS A 337 36.237 9.057 -4.657 1.00 0.00 C ATOM 9 C LYS A 337 34.741 9.143 -4.361 1.00 0.00 C ATOM 10 O LYS A 337 34.334 9.227 -3.202 1.00 0.00 O ATOM 11 CB LYS A 337 37.023 9.924 -3.661 1.00 0.00 C ATOM 12 CG LYS A 337 36.409 11.328 -3.555 1.00 0.00 C ATOM 13 CD LYS A 337 36.228 11.934 -4.950 1.00 0.00 C ATOM 14 CE LYS A 337 36.011 13.443 -4.824 1.00 0.00 C ATOM 15 NZ LYS A 337 34.786 13.702 -4.017 1.00 0.00 N ATOM 0 H LYS A 337 35.756 9.967 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 337 36.547 8.018 -4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 337 37.025 9.448 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.062 10.000 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.446 11.274 -3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 337 37.052 11.969 -2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 337 37.106 11.732 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.376 11.474 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 337 36.876 13.908 -4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.910 13.891 -5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 34.483 14.688 -4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 34.026 13.061 -4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 34.992 13.538 -3.011 1.00 0.00 H new ATOM 29 N SER A 338 33.928 9.119 -5.417 1.00 0.00 N ATOM 30 CA SER A 338 32.477 9.199 -5.259 1.00 0.00 C ATOM 31 C SER A 338 31.807 7.880 -5.637 1.00 0.00 C ATOM 32 O SER A 338 30.972 7.835 -6.540 1.00 0.00 O ATOM 33 CB SER A 338 31.923 10.319 -6.139 1.00 0.00 C ATOM 34 OG SER A 338 30.658 10.730 -5.635 1.00 0.00 O ATOM 0 H SER A 338 34.246 9.045 -6.383 1.00 0.00 H new ATOM 0 HA SER A 338 32.262 9.408 -4.211 1.00 0.00 H new ATOM 0 HB2 SER A 338 32.614 11.162 -6.152 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.823 9.973 -7.168 1.00 0.00 H new ATOM 0 HG SER A 338 30.300 11.449 -6.196 1.00 0.00 H new ATOM 40 N TYR A 339 32.166 6.810 -4.934 1.00 0.00 N ATOM 41 CA TYR A 339 31.577 5.500 -5.200 1.00 0.00 C ATOM 42 C TYR A 339 32.155 4.444 -4.247 1.00 0.00 C ATOM 43 O TYR A 339 31.877 4.472 -3.049 1.00 0.00 O ATOM 44 CB TYR A 339 31.801 5.118 -6.674 1.00 0.00 C ATOM 45 CG TYR A 339 33.061 5.775 -7.199 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.209 5.856 -6.404 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.068 6.303 -8.496 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.366 6.466 -6.904 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.224 6.913 -8.996 1.00 0.00 C ATOM 50 CZ TYR A 339 35.373 6.995 -8.201 1.00 0.00 C ATOM 51 OH TYR A 339 36.513 7.595 -8.694 1.00 0.00 O ATOM 0 H TYR A 339 32.855 6.822 -4.182 1.00 0.00 H new ATOM 0 HA TYR A 339 30.503 5.545 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.880 4.035 -6.769 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.944 5.428 -7.272 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.203 5.448 -5.404 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.182 6.239 -9.110 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.252 6.529 -6.290 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.230 7.321 -9.996 1.00 0.00 H new ATOM 0 HH TYR A 339 37.302 7.194 -8.273 1.00 0.00 H new ATOM 61 N MET A 340 32.965 3.527 -4.772 1.00 0.00 N ATOM 62 CA MET A 340 33.573 2.485 -3.951 1.00 0.00 C ATOM 63 C MET A 340 34.423 3.100 -2.845 1.00 0.00 C ATOM 64 O MET A 340 34.955 2.392 -1.991 1.00 0.00 O ATOM 65 CB MET A 340 34.447 1.577 -4.823 1.00 0.00 C ATOM 66 CG MET A 340 35.452 2.420 -5.621 1.00 0.00 C ATOM 67 SD MET A 340 36.825 2.910 -4.546 1.00 0.00 S ATOM 68 CE MET A 340 37.615 4.081 -5.681 1.00 0.00 C ATOM 0 H MET A 340 33.214 3.485 -5.760 1.00 0.00 H new ATOM 0 HA MET A 340 32.776 1.897 -3.496 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.978 0.860 -4.197 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.821 1.002 -5.505 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.828 1.849 -6.470 1.00 0.00 H new ATOM 0 HG3 MET A 340 34.960 3.305 -6.025 1.00 0.00 H new ATOM 0 HE1 MET A 340 38.639 3.763 -5.878 1.00 0.00 H new ATOM 0 HE2 MET A 340 37.058 4.112 -6.617 1.00 0.00 H new ATOM 0 HE3 MET A 340 37.624 5.074 -5.231 1.00 0.00 H new ATOM 78 N ALA A 341 34.551 4.419 -2.877 1.00 0.00 N ATOM 79 CA ALA A 341 35.347 5.125 -1.882 1.00 0.00 C ATOM 80 C ALA A 341 34.485 5.599 -0.719 1.00 0.00 C ATOM 81 O ALA A 341 34.941 5.650 0.423 1.00 0.00 O ATOM 82 CB ALA A 341 36.015 6.335 -2.530 1.00 0.00 C ATOM 0 H ALA A 341 34.116 5.020 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 341 36.099 4.435 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.611 6.864 -1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.661 6.002 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.251 7.004 -2.925 1.00 0.00 H new ATOM 88 N TYR A 342 33.246 5.969 -1.017 1.00 0.00 N ATOM 89 CA TYR A 342 32.345 6.464 0.012 1.00 0.00 C ATOM 90 C TYR A 342 31.459 5.349 0.570 1.00 0.00 C ATOM 91 O TYR A 342 31.324 5.214 1.786 1.00 0.00 O ATOM 92 CB TYR A 342 31.481 7.587 -0.562 1.00 0.00 C ATOM 93 CG TYR A 342 30.143 7.029 -0.969 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.110 6.912 -0.032 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.938 6.620 -2.292 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.872 6.384 -0.416 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.699 6.093 -2.678 1.00 0.00 C ATOM 98 CZ TYR A 342 27.667 5.975 -1.740 1.00 0.00 C ATOM 99 OH TYR A 342 26.446 5.455 -2.119 1.00 0.00 O ATOM 0 H TYR A 342 32.846 5.936 -1.955 1.00 0.00 H new ATOM 0 HA TYR A 342 32.947 6.848 0.836 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.349 8.375 0.180 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.976 8.039 -1.422 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.268 7.229 0.988 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.735 6.711 -3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.076 6.292 0.308 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.540 5.778 -3.699 1.00 0.00 H new ATOM 0 HH TYR A 342 26.471 5.222 -3.071 1.00 0.00 H new ATOM 109 N LEU A 343 30.848 4.556 -0.311 1.00 0.00 N ATOM 110 CA LEU A 343 29.980 3.477 0.152 1.00 0.00 C ATOM 111 C LEU A 343 30.787 2.448 0.932 1.00 0.00 C ATOM 112 O LEU A 343 30.228 1.628 1.660 1.00 0.00 O ATOM 113 CB LEU A 343 29.261 2.805 -1.025 1.00 0.00 C ATOM 114 CG LEU A 343 30.274 2.168 -1.977 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.327 0.657 -1.738 1.00 0.00 C ATOM 116 CD2 LEU A 343 29.840 2.434 -3.422 1.00 0.00 C ATOM 0 H LEU A 343 30.935 4.637 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 343 29.226 3.908 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.574 2.045 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 343 28.662 3.541 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 343 31.260 2.597 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 343 31.050 0.206 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.627 0.462 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.342 0.226 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.558 1.982 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.855 2.000 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 343 29.798 3.509 -3.597 1.00 0.00 H new ATOM 128 N SER A 344 32.106 2.510 0.789 1.00 0.00 N ATOM 129 CA SER A 344 32.985 1.591 1.499 1.00 0.00 C ATOM 130 C SER A 344 33.384 2.195 2.841 1.00 0.00 C ATOM 131 O SER A 344 34.143 1.596 3.605 1.00 0.00 O ATOM 132 CB SER A 344 34.236 1.310 0.667 1.00 0.00 C ATOM 133 OG SER A 344 35.092 0.432 1.387 1.00 0.00 O ATOM 0 H SER A 344 32.587 3.183 0.192 1.00 0.00 H new ATOM 0 HA SER A 344 32.455 0.654 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 344 33.959 0.864 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.756 2.242 0.445 1.00 0.00 H new ATOM 0 HG SER A 344 34.841 0.435 2.334 1.00 0.00 H new ATOM 139 N ALA A 345 32.863 3.389 3.114 1.00 0.00 N ATOM 140 CA ALA A 345 33.160 4.089 4.360 1.00 0.00 C ATOM 141 C ALA A 345 31.881 4.335 5.154 1.00 0.00 C ATOM 142 O ALA A 345 31.835 5.216 6.013 1.00 0.00 O ATOM 143 CB ALA A 345 33.832 5.428 4.051 1.00 0.00 C ATOM 0 H ALA A 345 32.233 3.892 2.489 1.00 0.00 H new ATOM 0 HA ALA A 345 33.830 3.469 4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.052 5.948 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.759 5.252 3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.164 6.039 3.444 1.00 0.00 H new ATOM 149 N GLU A 346 30.845 3.557 4.859 1.00 0.00 N ATOM 150 CA GLU A 346 29.570 3.707 5.552 1.00 0.00 C ATOM 151 C GLU A 346 28.831 2.374 5.616 1.00 0.00 C ATOM 152 O GLU A 346 27.647 2.297 5.285 1.00 0.00 O ATOM 153 CB GLU A 346 28.702 4.734 4.826 1.00 0.00 C ATOM 154 CG GLU A 346 28.657 4.395 3.336 1.00 0.00 C ATOM 155 CD GLU A 346 27.210 4.333 2.858 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.699 5.359 2.442 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.635 3.257 2.914 1.00 0.00 O ATOM 0 H GLU A 346 30.862 2.823 4.151 1.00 0.00 H new ATOM 0 HA GLU A 346 29.770 4.048 6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.694 4.734 5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.106 5.736 4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.205 5.146 2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.149 3.439 3.157 1.00 0.00 H new ATOM 164 N LEU A 347 29.536 1.333 6.044 1.00 0.00 N ATOM 165 CA LEU A 347 28.943 0.005 6.153 1.00 0.00 C ATOM 166 C LEU A 347 29.146 -0.552 7.557 1.00 0.00 C ATOM 167 O LEU A 347 28.723 -1.666 7.864 1.00 0.00 O ATOM 168 CB LEU A 347 29.575 -0.936 5.126 1.00 0.00 C ATOM 169 CG LEU A 347 31.072 -1.065 5.407 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.384 -2.487 5.877 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.856 -0.770 4.126 1.00 0.00 C ATOM 0 H LEU A 347 30.517 1.382 6.321 1.00 0.00 H new ATOM 0 HA LEU A 347 27.874 0.084 5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.099 -1.916 5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.415 -0.552 4.118 1.00 0.00 H new ATOM 0 HG LEU A 347 31.358 -0.355 6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.452 -2.578 6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 347 30.825 -2.700 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.098 -3.197 5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.924 -0.861 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.568 -1.481 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.635 0.243 3.789 1.00 0.00 H new ATOM 183 N PHE A 348 29.794 0.238 8.406 1.00 0.00 N ATOM 184 CA PHE A 348 30.049 -0.172 9.781 1.00 0.00 C ATOM 185 C PHE A 348 29.783 0.991 10.731 1.00 0.00 C ATOM 186 O PHE A 348 29.785 0.826 11.950 1.00 0.00 O ATOM 187 CB PHE A 348 31.502 -0.635 9.929 1.00 0.00 C ATOM 188 CG PHE A 348 32.336 -0.046 8.814 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.313 1.334 8.580 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.129 -0.879 8.015 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.083 1.881 7.548 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.899 -0.331 6.981 1.00 0.00 C ATOM 193 CZ PHE A 348 33.876 1.050 6.748 1.00 0.00 C ATOM 0 H PHE A 348 30.151 1.163 8.167 1.00 0.00 H new ATOM 0 HA PHE A 348 29.382 -0.998 10.030 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.897 -0.324 10.896 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.553 -1.723 9.899 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.701 1.976 9.196 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.147 -1.944 8.196 1.00 0.00 H new ATOM 0 HE1 PHE A 348 33.066 2.946 7.368 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.510 -0.973 6.364 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.470 1.473 5.951 1.00 0.00 H new ATOM 203 N HIS A 349 29.562 2.170 10.157 1.00 0.00 N ATOM 204 CA HIS A 349 29.303 3.362 10.950 1.00 0.00 C ATOM 205 C HIS A 349 28.078 3.165 11.839 1.00 0.00 C ATOM 206 O HIS A 349 27.816 3.971 12.733 1.00 0.00 O ATOM 207 CB HIS A 349 29.093 4.572 10.032 1.00 0.00 C ATOM 208 CG HIS A 349 27.899 4.348 9.140 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.913 5.309 8.978 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.527 3.292 8.346 1.00 0.00 C ATOM 211 CE1 HIS A 349 26.005 4.816 8.116 1.00 0.00 C ATOM 212 NE2 HIS A 349 26.331 3.590 7.700 1.00 0.00 N ATOM 0 H HIS A 349 29.558 2.323 9.149 1.00 0.00 H new ATOM 0 HA HIS A 349 30.168 3.543 11.588 1.00 0.00 H new ATOM 0 HB2 HIS A 349 28.945 5.471 10.631 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.984 4.736 9.425 1.00 0.00 H new ATOM 0 HD2 HIS A 349 28.079 2.370 8.239 1.00 0.00 H new ATOM 0 HE1 HIS A 349 25.120 5.348 7.799 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.814 2.999 7.049 1.00 0.00 H new ATOM 220 N LEU A 350 27.339 2.087 11.590 1.00 0.00 N ATOM 221 CA LEU A 350 26.145 1.784 12.374 1.00 0.00 C ATOM 222 C LEU A 350 26.216 0.365 12.929 1.00 0.00 C ATOM 223 O LEU A 350 25.231 -0.372 12.902 1.00 0.00 O ATOM 224 CB LEU A 350 24.896 1.925 11.498 1.00 0.00 C ATOM 225 CG LEU A 350 24.826 3.341 10.923 1.00 0.00 C ATOM 226 CD1 LEU A 350 23.629 3.447 9.976 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.668 4.362 12.055 1.00 0.00 C ATOM 0 H LEU A 350 27.545 1.411 10.854 1.00 0.00 H new ATOM 0 HA LEU A 350 26.090 2.488 13.205 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.923 1.195 10.689 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.002 1.716 12.086 1.00 0.00 H new ATOM 0 HG LEU A 350 25.747 3.550 10.379 1.00 0.00 H new ATOM 0 HD11 LEU A 350 23.578 4.455 9.566 1.00 0.00 H new ATOM 0 HD12 LEU A 350 23.743 2.730 9.163 1.00 0.00 H new ATOM 0 HD13 LEU A 350 22.712 3.231 10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.619 5.367 11.635 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.751 4.155 12.607 1.00 0.00 H new ATOM 0 HD23 LEU A 350 25.521 4.292 12.730 1.00 0.00 H new ATOM 239 N SER A 351 27.388 -0.011 13.431 1.00 0.00 N ATOM 240 CA SER A 351 27.576 -1.346 13.987 1.00 0.00 C ATOM 241 C SER A 351 26.400 -1.725 14.881 1.00 0.00 C ATOM 242 O SER A 351 26.309 -1.283 16.027 1.00 0.00 O ATOM 243 CB SER A 351 28.873 -1.398 14.795 1.00 0.00 C ATOM 244 OG SER A 351 28.865 -2.554 15.622 1.00 0.00 O ATOM 0 H SER A 351 28.215 0.584 13.464 1.00 0.00 H new ATOM 0 HA SER A 351 27.634 -2.057 13.163 1.00 0.00 H new ATOM 0 HB2 SER A 351 29.732 -1.422 14.124 1.00 0.00 H new ATOM 0 HB3 SER A 351 28.971 -0.500 15.406 1.00 0.00 H new ATOM 0 HG SER A 351 29.696 -2.591 16.140 1.00 0.00 H new ATOM 250 N GLY A 352 25.498 -2.540 14.346 1.00 0.00 N ATOM 251 CA GLY A 352 24.326 -2.969 15.097 1.00 0.00 C ATOM 252 C GLY A 352 23.099 -2.951 14.198 1.00 0.00 C ATOM 253 O GLY A 352 22.262 -3.849 14.249 1.00 0.00 O ATOM 0 H GLY A 352 25.556 -2.915 13.399 1.00 0.00 H new ATOM 0 HA2 GLY A 352 24.484 -3.973 15.492 1.00 0.00 H new ATOM 0 HA3 GLY A 352 24.171 -2.311 15.952 1.00 0.00 H new ATOM 257 N ILE A 353 23.014 -1.921 13.368 1.00 0.00 N ATOM 258 CA ILE A 353 21.901 -1.784 12.441 1.00 0.00 C ATOM 259 C ILE A 353 22.305 -2.302 11.065 1.00 0.00 C ATOM 260 O ILE A 353 21.524 -2.960 10.379 1.00 0.00 O ATOM 261 CB ILE A 353 21.497 -0.312 12.330 1.00 0.00 C ATOM 262 CG1 ILE A 353 21.371 0.300 13.731 1.00 0.00 C ATOM 263 CG2 ILE A 353 20.159 -0.204 11.599 1.00 0.00 C ATOM 264 CD1 ILE A 353 20.493 -0.590 14.614 1.00 0.00 C ATOM 0 H ILE A 353 23.702 -1.169 13.318 1.00 0.00 H new ATOM 0 HA ILE A 353 21.057 -2.365 12.813 1.00 0.00 H new ATOM 0 HB ILE A 353 22.260 0.230 11.771 1.00 0.00 H new ATOM 0 HG12 ILE A 353 22.359 0.410 14.179 1.00 0.00 H new ATOM 0 HG13 ILE A 353 20.939 1.298 13.663 1.00 0.00 H new ATOM 0 HG21 ILE A 353 19.871 0.844 11.520 1.00 0.00 H new ATOM 0 HG22 ILE A 353 20.254 -0.630 10.600 1.00 0.00 H new ATOM 0 HG23 ILE A 353 19.396 -0.749 12.155 1.00 0.00 H new ATOM 0 HD11 ILE A 353 20.409 -0.148 15.607 1.00 0.00 H new ATOM 0 HD12 ILE A 353 19.501 -0.677 14.171 1.00 0.00 H new ATOM 0 HD13 ILE A 353 20.943 -1.580 14.694 1.00 0.00 H new ATOM 276 N MET A 354 23.536 -1.990 10.677 1.00 0.00 N ATOM 277 CA MET A 354 24.067 -2.402 9.384 1.00 0.00 C ATOM 278 C MET A 354 24.307 -3.907 9.343 1.00 0.00 C ATOM 279 O MET A 354 24.298 -4.517 8.275 1.00 0.00 O ATOM 280 CB MET A 354 25.381 -1.672 9.109 1.00 0.00 C ATOM 281 CG MET A 354 26.404 -2.051 10.180 1.00 0.00 C ATOM 282 SD MET A 354 27.473 -3.369 9.551 1.00 0.00 S ATOM 283 CE MET A 354 28.195 -3.860 11.137 1.00 0.00 C ATOM 0 H MET A 354 24.189 -1.449 11.244 1.00 0.00 H new ATOM 0 HA MET A 354 23.333 -2.147 8.619 1.00 0.00 H new ATOM 0 HB2 MET A 354 25.757 -1.937 8.121 1.00 0.00 H new ATOM 0 HB3 MET A 354 25.219 -0.594 9.110 1.00 0.00 H new ATOM 0 HG2 MET A 354 27.002 -1.181 10.451 1.00 0.00 H new ATOM 0 HG3 MET A 354 25.894 -2.382 11.085 1.00 0.00 H new ATOM 0 HE1 MET A 354 28.622 -4.859 11.049 1.00 0.00 H new ATOM 0 HE2 MET A 354 28.978 -3.154 11.414 1.00 0.00 H new ATOM 0 HE3 MET A 354 27.421 -3.862 11.904 1.00 0.00 H new ATOM 293 N ALA A 355 24.525 -4.495 10.510 1.00 0.00 N ATOM 294 CA ALA A 355 24.769 -5.927 10.596 1.00 0.00 C ATOM 295 C ALA A 355 23.463 -6.688 10.417 1.00 0.00 C ATOM 296 O ALA A 355 23.462 -7.903 10.215 1.00 0.00 O ATOM 297 CB ALA A 355 25.390 -6.265 11.951 1.00 0.00 C ATOM 0 H ALA A 355 24.538 -4.006 11.405 1.00 0.00 H new ATOM 0 HA ALA A 355 25.459 -6.220 9.805 1.00 0.00 H new ATOM 0 HB1 ALA A 355 25.571 -7.338 12.011 1.00 0.00 H new ATOM 0 HB2 ALA A 355 26.334 -5.731 12.062 1.00 0.00 H new ATOM 0 HB3 ALA A 355 24.709 -5.967 12.748 1.00 0.00 H new ATOM 303 N LEU A 356 22.355 -5.957 10.489 1.00 0.00 N ATOM 304 CA LEU A 356 21.034 -6.552 10.330 1.00 0.00 C ATOM 305 C LEU A 356 20.301 -5.913 9.159 1.00 0.00 C ATOM 306 O LEU A 356 19.309 -6.458 8.677 1.00 0.00 O ATOM 307 CB LEU A 356 20.202 -6.368 11.600 1.00 0.00 C ATOM 308 CG LEU A 356 20.946 -5.473 12.591 1.00 0.00 C ATOM 309 CD1 LEU A 356 20.009 -5.119 13.749 1.00 0.00 C ATOM 310 CD2 LEU A 356 22.169 -6.213 13.140 1.00 0.00 C ATOM 0 H LEU A 356 22.347 -4.951 10.657 1.00 0.00 H new ATOM 0 HA LEU A 356 21.168 -7.617 10.139 1.00 0.00 H new ATOM 0 HB2 LEU A 356 19.238 -5.925 11.351 1.00 0.00 H new ATOM 0 HB3 LEU A 356 19.999 -7.338 12.055 1.00 0.00 H new ATOM 0 HG LEU A 356 21.272 -4.564 12.085 1.00 0.00 H new ATOM 0 HD11 LEU A 356 20.534 -4.481 14.460 1.00 0.00 H new ATOM 0 HD12 LEU A 356 19.137 -4.592 13.363 1.00 0.00 H new ATOM 0 HD13 LEU A 356 19.688 -6.032 14.250 1.00 0.00 H new ATOM 0 HD21 LEU A 356 22.696 -5.571 13.846 1.00 0.00 H new ATOM 0 HD22 LEU A 356 21.847 -7.122 13.647 1.00 0.00 H new ATOM 0 HD23 LEU A 356 22.836 -6.473 12.318 1.00 0.00 H new ATOM 322 N ILE A 357 20.791 -4.750 8.718 1.00 0.00 N ATOM 323 CA ILE A 357 20.165 -4.036 7.598 1.00 0.00 C ATOM 324 C ILE A 357 19.590 -5.025 6.589 1.00 0.00 C ATOM 325 O ILE A 357 18.460 -4.871 6.125 1.00 0.00 O ATOM 326 CB ILE A 357 21.194 -3.117 6.905 1.00 0.00 C ATOM 327 CG1 ILE A 357 21.001 -1.680 7.416 1.00 0.00 C ATOM 328 CG2 ILE A 357 21.008 -3.142 5.372 1.00 0.00 C ATOM 329 CD1 ILE A 357 22.082 -0.759 6.840 1.00 0.00 C ATOM 0 H ILE A 357 21.609 -4.286 9.113 1.00 0.00 H new ATOM 0 HA ILE A 357 19.353 -3.424 7.992 1.00 0.00 H new ATOM 0 HB ILE A 357 22.198 -3.473 7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 357 20.014 -1.315 7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 357 21.044 -1.666 8.505 1.00 0.00 H new ATOM 0 HG21 ILE A 357 21.744 -2.487 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 357 21.144 -4.160 5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 357 20.005 -2.797 5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 357 21.932 0.255 7.211 1.00 0.00 H new ATOM 0 HD12 ILE A 357 23.065 -1.116 7.147 1.00 0.00 H new ATOM 0 HD13 ILE A 357 22.019 -0.760 5.752 1.00 0.00 H new ATOM 341 N ALA A 358 20.382 -6.036 6.252 1.00 0.00 N ATOM 342 CA ALA A 358 19.950 -7.046 5.291 1.00 0.00 C ATOM 343 C ALA A 358 19.218 -8.184 5.993 1.00 0.00 C ATOM 344 O ALA A 358 18.371 -8.850 5.398 1.00 0.00 O ATOM 345 CB ALA A 358 21.163 -7.598 4.541 1.00 0.00 C ATOM 0 H ALA A 358 21.320 -6.179 6.626 1.00 0.00 H new ATOM 0 HA ALA A 358 19.265 -6.579 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 358 20.836 -8.352 3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 358 21.663 -6.787 4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 358 21.856 -8.049 5.251 1.00 0.00 H new ATOM 351 N SER A 359 19.549 -8.402 7.260 1.00 0.00 N ATOM 352 CA SER A 359 18.917 -9.463 8.033 1.00 0.00 C ATOM 353 C SER A 359 17.618 -8.968 8.663 1.00 0.00 C ATOM 354 O SER A 359 16.951 -9.703 9.391 1.00 0.00 O ATOM 355 CB SER A 359 19.867 -9.945 9.130 1.00 0.00 C ATOM 356 OG SER A 359 19.864 -11.367 9.163 1.00 0.00 O ATOM 0 H SER A 359 20.247 -7.862 7.771 1.00 0.00 H new ATOM 0 HA SER A 359 18.688 -10.290 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 359 20.875 -9.576 8.942 1.00 0.00 H new ATOM 0 HB3 SER A 359 19.557 -9.547 10.096 1.00 0.00 H new ATOM 0 HG SER A 359 20.473 -11.679 9.864 1.00 0.00 H new ATOM 362 N GLY A 360 17.269 -7.716 8.382 1.00 0.00 N ATOM 363 CA GLY A 360 16.049 -7.130 8.928 1.00 0.00 C ATOM 364 C GLY A 360 15.278 -6.369 7.855 1.00 0.00 C ATOM 365 O GLY A 360 14.806 -5.257 8.089 1.00 0.00 O ATOM 0 H GLY A 360 17.809 -7.091 7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 360 15.419 -7.916 9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 360 16.300 -6.456 9.747 1.00 0.00 H new ATOM 369 N VAL A 361 15.152 -6.976 6.681 1.00 0.00 N ATOM 370 CA VAL A 361 14.433 -6.345 5.583 1.00 0.00 C ATOM 371 C VAL A 361 14.242 -7.327 4.430 1.00 0.00 C ATOM 372 O VAL A 361 13.155 -7.422 3.860 1.00 0.00 O ATOM 373 CB VAL A 361 15.198 -5.110 5.099 1.00 0.00 C ATOM 374 CG1 VAL A 361 16.454 -5.542 4.338 1.00 0.00 C ATOM 375 CG2 VAL A 361 14.300 -4.287 4.173 1.00 0.00 C ATOM 0 H VAL A 361 15.535 -7.897 6.466 1.00 0.00 H new ATOM 0 HA VAL A 361 13.450 -6.039 5.942 1.00 0.00 H new ATOM 0 HB VAL A 361 15.489 -4.507 5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 361 16.994 -4.659 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 361 17.095 -6.127 4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 361 16.168 -6.148 3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 361 14.843 -3.407 3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 361 14.008 -4.894 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 361 13.408 -3.973 4.716 1.00 0.00 H new ATOM 385 N VAL A 362 15.303 -8.058 4.100 1.00 0.00 N ATOM 386 CA VAL A 362 15.239 -9.035 3.017 1.00 0.00 C ATOM 387 C VAL A 362 14.441 -8.482 1.837 1.00 0.00 C ATOM 388 O VAL A 362 13.927 -9.239 1.013 1.00 0.00 O ATOM 389 CB VAL A 362 14.591 -10.325 3.525 1.00 0.00 C ATOM 390 CG1 VAL A 362 14.551 -11.364 2.401 1.00 0.00 C ATOM 391 CG2 VAL A 362 15.406 -10.876 4.696 1.00 0.00 C ATOM 0 H VAL A 362 16.210 -7.994 4.562 1.00 0.00 H new ATOM 0 HA VAL A 362 16.253 -9.247 2.678 1.00 0.00 H new ATOM 0 HB VAL A 362 13.574 -10.111 3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 362 14.089 -12.280 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 362 13.970 -10.974 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 362 15.566 -11.579 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 362 14.946 -11.795 5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 362 16.423 -11.086 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 362 15.431 -10.140 5.500 1.00 0.00 H new ATOM 401 N MET A 363 14.342 -7.160 1.764 1.00 0.00 N ATOM 402 CA MET A 363 13.605 -6.518 0.681 1.00 0.00 C ATOM 403 C MET A 363 12.306 -7.267 0.400 1.00 0.00 C ATOM 404 O MET A 363 11.735 -7.894 1.292 1.00 0.00 O ATOM 405 CB MET A 363 14.463 -6.485 -0.584 1.00 0.00 C ATOM 406 CG MET A 363 15.943 -6.518 -0.199 1.00 0.00 C ATOM 407 SD MET A 363 16.938 -5.869 -1.566 1.00 0.00 S ATOM 408 CE MET A 363 18.245 -7.119 -1.507 1.00 0.00 C ATOM 0 H MET A 363 14.759 -6.516 2.436 1.00 0.00 H new ATOM 0 HA MET A 363 13.364 -5.499 0.983 1.00 0.00 H new ATOM 0 HB2 MET A 363 14.223 -7.336 -1.221 1.00 0.00 H new ATOM 0 HB3 MET A 363 14.246 -5.585 -1.160 1.00 0.00 H new ATOM 0 HG2 MET A 363 16.109 -5.924 0.700 1.00 0.00 H new ATOM 0 HG3 MET A 363 16.247 -7.539 0.033 1.00 0.00 H new ATOM 0 HE1 MET A 363 18.983 -6.910 -2.281 1.00 0.00 H new ATOM 0 HE2 MET A 363 18.727 -7.096 -0.530 1.00 0.00 H new ATOM 0 HE3 MET A 363 17.813 -8.105 -1.675 1.00 0.00 H new ATOM 418 N ARG A 364 11.844 -7.195 -0.845 1.00 0.00 N ATOM 419 CA ARG A 364 10.612 -7.870 -1.231 1.00 0.00 C ATOM 420 C ARG A 364 10.516 -7.984 -2.750 1.00 0.00 C ATOM 421 O ARG A 364 9.764 -7.251 -3.393 1.00 0.00 O ATOM 422 CB ARG A 364 9.404 -7.096 -0.698 1.00 0.00 C ATOM 423 CG ARG A 364 8.176 -8.007 -0.683 1.00 0.00 C ATOM 424 CD ARG A 364 7.961 -8.550 0.730 1.00 0.00 C ATOM 425 NE ARG A 364 7.092 -9.720 0.693 1.00 0.00 N ATOM 426 CZ ARG A 364 6.642 -10.278 1.811 1.00 0.00 C ATOM 427 NH1 ARG A 364 6.977 -9.780 2.970 1.00 0.00 N ATOM 428 NH2 ARG A 364 5.865 -11.326 1.751 1.00 0.00 N ATOM 0 H ARG A 364 12.301 -6.680 -1.598 1.00 0.00 H new ATOM 0 HA ARG A 364 10.619 -8.872 -0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 364 9.609 -6.729 0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 364 9.214 -6.223 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 364 7.295 -7.454 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 364 8.312 -8.831 -1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 364 8.920 -8.814 1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 364 7.518 -7.779 1.360 1.00 0.00 H new ATOM 0 HE ARG A 364 6.825 -10.117 -0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 364 7.585 -8.962 3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 364 6.631 -10.209 3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 364 5.604 -11.716 0.845 1.00 0.00 H new ATOM 0 HH22 ARG A 364 5.519 -11.755 2.610 1.00 0.00 H new ATOM 442 N PRO A 365 11.266 -8.884 -3.328 1.00 0.00 N ATOM 443 CA PRO A 365 11.279 -9.103 -4.798 1.00 0.00 C ATOM 444 C PRO A 365 10.128 -9.993 -5.261 1.00 0.00 C ATOM 445 O PRO A 365 9.497 -9.725 -6.284 1.00 0.00 O ATOM 446 CB PRO A 365 12.626 -9.782 -5.035 1.00 0.00 C ATOM 447 CG PRO A 365 12.941 -10.505 -3.764 1.00 0.00 C ATOM 448 CD PRO A 365 12.189 -9.797 -2.636 1.00 0.00 C ATOM 0 HA PRO A 365 11.153 -8.176 -5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 365 12.574 -10.473 -5.876 1.00 0.00 H new ATOM 0 HB3 PRO A 365 13.398 -9.050 -5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 365 12.637 -11.550 -3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 365 14.014 -10.497 -3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 365 11.650 -10.508 -2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 365 12.872 -9.253 -1.984 1.00 0.00 H new ATOM 456 N LYS A 366 9.862 -11.052 -4.504 1.00 0.00 N ATOM 457 CA LYS A 366 8.785 -11.974 -4.848 1.00 0.00 C ATOM 458 C LYS A 366 9.026 -12.589 -6.223 1.00 0.00 C ATOM 459 O LYS A 366 8.120 -12.652 -7.053 1.00 0.00 O ATOM 460 CB LYS A 366 7.443 -11.239 -4.845 1.00 0.00 C ATOM 461 CG LYS A 366 7.326 -10.393 -3.575 1.00 0.00 C ATOM 462 CD LYS A 366 5.987 -9.653 -3.573 1.00 0.00 C ATOM 463 CE LYS A 366 6.151 -8.298 -4.264 1.00 0.00 C ATOM 464 NZ LYS A 366 7.070 -7.441 -3.464 1.00 0.00 N ATOM 0 H LYS A 366 10.373 -11.292 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 366 8.764 -12.770 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 366 7.363 -10.603 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 366 6.624 -11.956 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 366 7.403 -11.030 -2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 366 8.148 -9.679 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 366 5.231 -10.246 -4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 366 5.639 -9.511 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 366 6.548 -8.436 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 366 5.181 -7.811 -4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 7.142 -6.502 -3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 6.699 -7.341 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 8.012 -7.880 -3.429 1.00 0.00 H new ATOM 478 N LYS A 367 10.255 -13.040 -6.457 1.00 0.00 N ATOM 479 CA LYS A 367 10.603 -13.647 -7.736 1.00 0.00 C ATOM 480 C LYS A 367 10.250 -12.712 -8.888 1.00 0.00 C ATOM 481 O LYS A 367 10.977 -11.757 -9.164 1.00 0.00 O ATOM 482 CB LYS A 367 9.858 -14.973 -7.905 1.00 0.00 C ATOM 483 CG LYS A 367 10.454 -16.019 -6.960 1.00 0.00 C ATOM 484 CD LYS A 367 9.789 -17.373 -7.213 1.00 0.00 C ATOM 485 CE LYS A 367 9.829 -18.209 -5.933 1.00 0.00 C ATOM 486 NZ LYS A 367 11.136 -18.005 -5.247 1.00 0.00 N ATOM 0 H LYS A 367 11.020 -12.997 -5.784 1.00 0.00 H new ATOM 0 HA LYS A 367 11.677 -13.830 -7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 367 8.798 -14.836 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 367 9.933 -15.315 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 367 11.530 -16.095 -7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 367 10.304 -15.716 -5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 367 8.757 -17.229 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 367 10.303 -17.897 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 367 9.011 -17.922 -5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 367 9.692 -19.264 -6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 11.342 -18.826 -4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 11.888 -17.900 -5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 11.091 -17.146 -4.662 1.00 0.00 H new HETATM 500 N NH2 A 368 9.168 -12.932 -9.583 1.00 0.00 N TER 503 NH2 A 368