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+ 168:sc= 0 (180deg=-0.0536) USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 339 TYR OH : rot 165:sc= -5.53! USER MOD Single : A 340 MET CE :methyl 148:sc= -0.898 (180deg=-3.64!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -32:sc= 0.715 USER MOD Single : A 349 HIS :FLIP no HD1:sc= -6.15! C(o=-8.2!,f=-6.1!) 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= -0.0788 USER MOD Single : A 363 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 366 LYS NZ :NH3+ -142:sc= -0.261 (180deg=-1.63) USER MOD Single : A 367 LYS NZ :NH3+ -101:sc= -0.411 (180deg=-1.54!) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 336 37.461 9.462 -6.651 1.00 0.00 C HETATM 2 O ACE A 336 38.435 9.031 -6.033 1.00 0.00 O HETATM 3 CH3 ACE A 336 37.586 9.877 -8.113 1.00 0.00 C HETATM 0 H1 ACE A 336 36.912 9.274 -8.721 1.00 0.00 H new HETATM 0 H2 ACE A 336 37.324 10.930 -8.216 1.00 0.00 H new HETATM 0 H3 ACE A 336 38.612 9.724 -8.448 1.00 0.00 H new ATOM 7 N LYS A 337 36.257 9.595 -6.104 1.00 0.00 N ATOM 8 CA LYS A 337 36.017 9.232 -4.712 1.00 0.00 C ATOM 9 C LYS A 337 34.525 9.273 -4.383 1.00 0.00 C ATOM 10 O LYS A 337 34.144 9.421 -3.221 1.00 0.00 O ATOM 11 CB LYS A 337 36.789 10.180 -3.780 1.00 0.00 C ATOM 12 CG LYS A 337 36.131 11.570 -3.744 1.00 0.00 C ATOM 13 CD LYS A 337 35.923 12.094 -5.167 1.00 0.00 C ATOM 14 CE LYS A 337 35.677 13.603 -5.121 1.00 0.00 C ATOM 15 NZ LYS A 337 36.978 14.315 -4.972 1.00 0.00 N ATOM 0 H LYS A 337 35.438 9.949 -6.599 1.00 0.00 H new ATOM 0 HA LYS A 337 36.371 8.212 -4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 337 36.820 9.762 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 337 37.821 10.270 -4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.174 11.514 -3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 337 36.758 12.262 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 337 36.798 11.875 -5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.076 11.590 -5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 337 35.175 13.928 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.018 13.849 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 36.839 15.331 -5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 37.343 14.173 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 37.661 13.938 -5.660 1.00 0.00 H new ATOM 29 N SER A 338 33.687 9.139 -5.411 1.00 0.00 N ATOM 30 CA SER A 338 32.238 9.166 -5.218 1.00 0.00 C ATOM 31 C SER A 338 31.609 7.824 -5.584 1.00 0.00 C ATOM 32 O SER A 338 30.784 7.744 -6.493 1.00 0.00 O ATOM 33 CB SER A 338 31.622 10.266 -6.083 1.00 0.00 C ATOM 34 OG SER A 338 30.329 10.584 -5.587 1.00 0.00 O ATOM 0 H SER A 338 33.984 9.012 -6.379 1.00 0.00 H new ATOM 0 HA SER A 338 32.040 9.366 -4.165 1.00 0.00 H new ATOM 0 HB2 SER A 338 32.257 11.152 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.555 9.935 -7.119 1.00 0.00 H new ATOM 0 HG SER A 338 29.932 11.290 -6.138 1.00 0.00 H new ATOM 40 N TYR A 339 31.994 6.774 -4.865 1.00 0.00 N ATOM 41 CA TYR A 339 31.448 5.444 -5.120 1.00 0.00 C ATOM 42 C TYR A 339 32.096 4.402 -4.196 1.00 0.00 C ATOM 43 O TYR A 339 31.829 4.386 -2.995 1.00 0.00 O ATOM 44 CB TYR A 339 31.637 5.071 -6.601 1.00 0.00 C ATOM 45 CG TYR A 339 32.852 5.774 -7.172 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.001 5.959 -6.395 1.00 0.00 C ATOM 47 CD2 TYR A 339 32.814 6.245 -8.489 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.114 6.616 -6.935 1.00 0.00 C ATOM 49 CE2 TYR A 339 33.927 6.902 -9.030 1.00 0.00 C ATOM 50 CZ TYR A 339 35.077 7.087 -8.253 1.00 0.00 C ATOM 51 OH TYR A 339 36.173 7.734 -8.786 1.00 0.00 O ATOM 0 H TYR A 339 32.676 6.816 -4.108 1.00 0.00 H new ATOM 0 HA TYR A 339 30.380 5.455 -4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.754 3.992 -6.699 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.749 5.348 -7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.030 5.595 -5.379 1.00 0.00 H new ATOM 0 HD2 TYR A 339 31.927 6.102 -9.088 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.000 6.759 -6.335 1.00 0.00 H new ATOM 0 HE2 TYR A 339 33.898 7.266 -10.046 1.00 0.00 H new ATOM 0 HH TYR A 339 36.082 7.783 -9.761 1.00 0.00 H new ATOM 61 N MET A 340 32.944 3.539 -4.751 1.00 0.00 N ATOM 62 CA MET A 340 33.607 2.511 -3.954 1.00 0.00 C ATOM 63 C MET A 340 34.485 3.148 -2.886 1.00 0.00 C ATOM 64 O MET A 340 35.090 2.454 -2.068 1.00 0.00 O ATOM 65 CB MET A 340 34.465 1.626 -4.859 1.00 0.00 C ATOM 66 CG MET A 340 35.669 2.427 -5.361 1.00 0.00 C ATOM 67 SD MET A 340 36.008 1.992 -7.085 1.00 0.00 S ATOM 68 CE MET A 340 36.267 3.675 -7.701 1.00 0.00 C ATOM 0 H MET A 340 33.187 3.531 -5.742 1.00 0.00 H new ATOM 0 HA MET A 340 32.844 1.904 -3.467 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.803 0.746 -4.311 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.874 1.269 -5.703 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.469 3.495 -5.277 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.542 2.217 -4.743 1.00 0.00 H new ATOM 0 HE1 MET A 340 36.998 3.658 -8.509 1.00 0.00 H new ATOM 0 HE2 MET A 340 35.324 4.075 -8.073 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.635 4.306 -6.892 1.00 0.00 H new ATOM 78 N ALA A 341 34.552 4.471 -2.905 1.00 0.00 N ATOM 79 CA ALA A 341 35.365 5.201 -1.942 1.00 0.00 C ATOM 80 C ALA A 341 34.531 5.641 -0.743 1.00 0.00 C ATOM 81 O ALA A 341 35.027 5.695 0.382 1.00 0.00 O ATOM 82 CB ALA A 341 35.963 6.435 -2.613 1.00 0.00 C ATOM 0 H ALA A 341 34.055 5.060 -3.574 1.00 0.00 H new ATOM 0 HA ALA A 341 36.157 4.539 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.572 6.982 -1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.585 6.127 -3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.160 7.079 -2.972 1.00 0.00 H new ATOM 88 N TYR A 342 33.272 5.977 -0.996 1.00 0.00 N ATOM 89 CA TYR A 342 32.392 6.438 0.067 1.00 0.00 C ATOM 90 C TYR A 342 31.551 5.297 0.642 1.00 0.00 C ATOM 91 O TYR A 342 31.455 5.151 1.861 1.00 0.00 O ATOM 92 CB TYR A 342 31.480 7.542 -0.469 1.00 0.00 C ATOM 93 CG TYR A 342 30.140 6.955 -0.826 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.147 6.823 0.151 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.893 6.531 -2.138 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.906 6.269 -0.183 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.651 5.977 -2.471 1.00 0.00 C ATOM 98 CZ TYR A 342 27.658 5.846 -1.493 1.00 0.00 C ATOM 99 OH TYR A 342 26.434 5.299 -1.823 1.00 0.00 O ATOM 0 H TYR A 342 32.842 5.939 -1.920 1.00 0.00 H new ATOM 0 HA TYR A 342 33.012 6.828 0.874 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.359 8.324 0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.931 8.007 -1.346 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.338 7.149 1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.660 6.631 -2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.139 6.168 0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.459 5.651 -3.482 1.00 0.00 H new ATOM 0 HH TYR A 342 26.428 5.059 -2.773 1.00 0.00 H new ATOM 109 N LEU A 343 30.935 4.495 -0.226 1.00 0.00 N ATOM 110 CA LEU A 343 30.107 3.392 0.251 1.00 0.00 C ATOM 111 C LEU A 343 30.958 2.368 0.990 1.00 0.00 C ATOM 112 O LEU A 343 30.439 1.521 1.715 1.00 0.00 O ATOM 113 CB LEU A 343 29.357 2.722 -0.911 1.00 0.00 C ATOM 114 CG LEU A 343 30.345 2.041 -1.866 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.398 0.535 -1.579 1.00 0.00 C ATOM 116 CD2 LEU A 343 29.879 2.252 -3.312 1.00 0.00 C ATOM 0 H LEU A 343 30.992 4.585 -1.240 1.00 0.00 H new ATOM 0 HA LEU A 343 29.369 3.800 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.653 1.987 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 343 28.773 3.467 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 343 31.335 2.474 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 343 31.102 0.059 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.722 0.372 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.407 0.103 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.579 1.769 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.888 1.818 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 343 29.839 3.319 -3.529 1.00 0.00 H new ATOM 128 N SER A 344 32.270 2.458 0.807 1.00 0.00 N ATOM 129 CA SER A 344 33.190 1.541 1.467 1.00 0.00 C ATOM 130 C SER A 344 33.626 2.112 2.812 1.00 0.00 C ATOM 131 O SER A 344 34.448 1.519 3.512 1.00 0.00 O ATOM 132 CB SER A 344 34.418 1.306 0.587 1.00 0.00 C ATOM 133 OG SER A 344 35.244 0.318 1.187 1.00 0.00 O ATOM 0 H SER A 344 32.719 3.153 0.210 1.00 0.00 H new ATOM 0 HA SER A 344 32.679 0.592 1.631 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.110 0.984 -0.408 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.974 2.235 0.463 1.00 0.00 H new ATOM 0 HG SER A 344 35.165 0.374 2.162 1.00 0.00 H new ATOM 139 N ALA A 345 33.072 3.271 3.159 1.00 0.00 N ATOM 140 CA ALA A 345 33.408 3.932 4.417 1.00 0.00 C ATOM 141 C ALA A 345 32.168 4.101 5.292 1.00 0.00 C ATOM 142 O ALA A 345 32.233 4.712 6.359 1.00 0.00 O ATOM 143 CB ALA A 345 34.014 5.306 4.129 1.00 0.00 C ATOM 0 H ALA A 345 32.390 3.771 2.588 1.00 0.00 H new ATOM 0 HA ALA A 345 34.129 3.311 4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.264 5.798 5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.917 5.187 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.293 5.914 3.582 1.00 0.00 H new ATOM 149 N GLU A 346 31.043 3.563 4.834 1.00 0.00 N ATOM 150 CA GLU A 346 29.798 3.670 5.589 1.00 0.00 C ATOM 151 C GLU A 346 29.024 2.358 5.547 1.00 0.00 C ATOM 152 O GLU A 346 27.931 2.291 4.984 1.00 0.00 O ATOM 153 CB GLU A 346 28.933 4.789 5.008 1.00 0.00 C ATOM 154 CG GLU A 346 28.736 4.549 3.512 1.00 0.00 C ATOM 155 CD GLU A 346 27.254 4.611 3.163 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.609 3.575 3.209 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.785 5.692 2.843 1.00 0.00 O ATOM 0 H GLU A 346 30.966 3.054 3.954 1.00 0.00 H new ATOM 0 HA GLU A 346 30.046 3.897 6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.968 4.818 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.409 5.756 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.284 5.298 2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.143 3.576 3.235 1.00 0.00 H new ATOM 164 N LEU A 347 29.595 1.317 6.141 1.00 0.00 N ATOM 165 CA LEU A 347 28.946 0.012 6.162 1.00 0.00 C ATOM 166 C LEU A 347 29.094 -0.641 7.533 1.00 0.00 C ATOM 167 O LEU A 347 28.735 -1.801 7.727 1.00 0.00 O ATOM 168 CB LEU A 347 29.556 -0.890 5.086 1.00 0.00 C ATOM 169 CG LEU A 347 31.071 -0.966 5.279 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.515 -2.430 5.267 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.767 -0.216 4.142 1.00 0.00 C ATOM 0 H LEU A 347 30.499 1.350 6.611 1.00 0.00 H new ATOM 0 HA LEU A 347 27.884 0.150 5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.121 -1.888 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.325 -0.499 4.095 1.00 0.00 H new ATOM 0 HG LEU A 347 31.338 -0.512 6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.595 -2.484 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 347 31.019 -2.967 6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.248 -2.883 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.847 -0.269 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.499 -0.671 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.452 0.827 4.148 1.00 0.00 H new ATOM 183 N PHE A 348 29.635 0.120 8.472 1.00 0.00 N ATOM 184 CA PHE A 348 29.850 -0.365 9.828 1.00 0.00 C ATOM 185 C PHE A 348 29.533 0.737 10.826 1.00 0.00 C ATOM 186 O PHE A 348 29.077 0.473 11.939 1.00 0.00 O ATOM 187 CB PHE A 348 31.308 -0.799 9.996 1.00 0.00 C ATOM 188 CG PHE A 348 32.201 0.423 9.990 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.296 1.214 8.838 1.00 0.00 C ATOM 190 CD2 PHE A 348 32.928 0.766 11.136 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.119 2.347 8.834 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.750 1.899 11.131 1.00 0.00 C ATOM 193 CZ PHE A 348 33.846 2.689 9.980 1.00 0.00 C ATOM 0 H PHE A 348 29.935 1.083 8.319 1.00 0.00 H new ATOM 0 HA PHE A 348 29.194 -1.217 10.009 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.430 -1.348 10.930 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.593 -1.475 9.190 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.735 0.950 7.954 1.00 0.00 H new ATOM 0 HD2 PHE A 348 32.855 0.156 12.024 1.00 0.00 H new ATOM 0 HE1 PHE A 348 33.193 2.957 7.946 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.310 2.163 12.016 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.481 3.563 9.976 1.00 0.00 H new ATOM 203 N HIS A 349 29.775 1.977 10.414 1.00 0.00 N ATOM 204 CA HIS A 349 29.510 3.119 11.272 1.00 0.00 C ATOM 205 C HIS A 349 28.179 2.932 11.990 1.00 0.00 C ATOM 206 O HIS A 349 28.100 3.068 13.210 1.00 0.00 O ATOM 207 CB HIS A 349 29.494 4.404 10.438 1.00 0.00 C ATOM 208 CG HIS A 349 28.435 4.312 9.375 1.00 0.00 C ATOM 209 ND1 HIS A 349 28.198 3.380 8.394 1.00 0.00 N flip ATOM 210 CD2 HIS A 349 27.457 5.282 9.220 1.00 0.00 C flip ATOM 211 CE1 HIS A 349 27.090 3.763 7.643 1.00 0.00 C flip ATOM 212 NE2 HIS A 349 26.682 4.915 8.182 1.00 0.00 N flip ATOM 0 H HIS A 349 30.152 2.213 9.496 1.00 0.00 H new ATOM 0 HA HIS A 349 30.300 3.198 12.019 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.302 5.263 11.081 1.00 0.00 H new ATOM 0 HB3 HIS A 349 30.470 4.562 9.979 1.00 0.00 H new ATOM 0 HD2 HIS A 349 27.338 6.171 9.822 1.00 0.00 H new ATOM 0 HE1 HIS A 349 26.654 3.241 6.804 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.881 5.451 7.848 1.00 0.00 H new ATOM 220 N LEU A 350 27.140 2.605 11.222 1.00 0.00 N ATOM 221 CA LEU A 350 25.814 2.381 11.778 1.00 0.00 C ATOM 222 C LEU A 350 25.898 1.739 13.159 1.00 0.00 C ATOM 223 O LEU A 350 25.479 2.326 14.145 1.00 0.00 O ATOM 224 CB LEU A 350 25.011 1.463 10.849 1.00 0.00 C ATOM 225 CG LEU A 350 25.314 1.809 9.393 1.00 0.00 C ATOM 226 CD1 LEU A 350 26.395 0.868 8.856 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.042 1.651 8.557 1.00 0.00 C ATOM 0 H LEU A 350 27.196 2.490 10.210 1.00 0.00 H new ATOM 0 HA LEU A 350 25.320 3.348 11.870 1.00 0.00 H new ATOM 0 HB2 LEU A 350 25.264 0.421 11.045 1.00 0.00 H new ATOM 0 HB3 LEU A 350 23.945 1.575 11.045 1.00 0.00 H new ATOM 0 HG LEU A 350 25.666 2.839 9.332 1.00 0.00 H new ATOM 0 HD11 LEU A 350 26.610 1.116 7.817 1.00 0.00 H new ATOM 0 HD12 LEU A 350 27.302 0.979 9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 350 26.044 -0.162 8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.257 1.898 7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.691 0.621 8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 350 23.271 2.321 8.937 1.00 0.00 H new ATOM 239 N SER A 351 26.437 0.527 13.215 1.00 0.00 N ATOM 240 CA SER A 351 26.556 -0.193 14.482 1.00 0.00 C ATOM 241 C SER A 351 27.320 0.620 15.531 1.00 0.00 C ATOM 242 O SER A 351 28.474 0.319 15.835 1.00 0.00 O ATOM 243 CB SER A 351 27.275 -1.522 14.253 1.00 0.00 C ATOM 244 OG SER A 351 26.346 -2.477 13.756 1.00 0.00 O ATOM 0 H SER A 351 26.797 0.023 12.405 1.00 0.00 H new ATOM 0 HA SER A 351 25.548 -0.368 14.858 1.00 0.00 H new ATOM 0 HB2 SER A 351 28.093 -1.389 13.544 1.00 0.00 H new ATOM 0 HB3 SER A 351 27.715 -1.876 15.185 1.00 0.00 H new ATOM 0 HG SER A 351 26.803 -3.331 13.606 1.00 0.00 H new ATOM 250 N GLY A 352 26.675 1.648 16.084 1.00 0.00 N ATOM 251 CA GLY A 352 27.310 2.483 17.091 1.00 0.00 C ATOM 252 C GLY A 352 26.945 3.929 16.839 1.00 0.00 C ATOM 253 O GLY A 352 26.806 4.729 17.764 1.00 0.00 O ATOM 0 H GLY A 352 25.719 1.917 15.850 1.00 0.00 H new ATOM 0 HA2 GLY A 352 26.986 2.182 18.087 1.00 0.00 H new ATOM 0 HA3 GLY A 352 28.392 2.357 17.056 1.00 0.00 H new ATOM 257 N ILE A 353 26.776 4.243 15.564 1.00 0.00 N ATOM 258 CA ILE A 353 26.408 5.582 15.153 1.00 0.00 C ATOM 259 C ILE A 353 24.901 5.665 14.926 1.00 0.00 C ATOM 260 O ILE A 353 24.284 6.700 15.163 1.00 0.00 O ATOM 261 CB ILE A 353 27.138 5.940 13.856 1.00 0.00 C ATOM 262 CG1 ILE A 353 28.665 5.941 14.070 1.00 0.00 C ATOM 263 CG2 ILE A 353 26.677 7.315 13.378 1.00 0.00 C ATOM 264 CD1 ILE A 353 29.061 6.856 15.234 1.00 0.00 C ATOM 0 H ILE A 353 26.889 3.582 14.795 1.00 0.00 H new ATOM 0 HA ILE A 353 26.691 6.283 15.938 1.00 0.00 H new ATOM 0 HB ILE A 353 26.901 5.191 13.101 1.00 0.00 H new ATOM 0 HG12 ILE A 353 29.008 4.926 14.269 1.00 0.00 H new ATOM 0 HG13 ILE A 353 29.162 6.272 13.158 1.00 0.00 H new ATOM 0 HG21 ILE A 353 27.196 7.572 12.454 1.00 0.00 H new ATOM 0 HG22 ILE A 353 25.602 7.296 13.197 1.00 0.00 H new ATOM 0 HG23 ILE A 353 26.904 8.060 14.141 1.00 0.00 H new ATOM 0 HD11 ILE A 353 30.143 6.836 15.361 1.00 0.00 H new ATOM 0 HD12 ILE A 353 28.739 7.875 15.021 1.00 0.00 H new ATOM 0 HD13 ILE A 353 28.582 6.508 16.149 1.00 0.00 H new ATOM 276 N MET A 354 24.321 4.565 14.460 1.00 0.00 N ATOM 277 CA MET A 354 22.891 4.515 14.186 1.00 0.00 C ATOM 278 C MET A 354 22.083 4.658 15.472 1.00 0.00 C ATOM 279 O MET A 354 20.986 5.216 15.476 1.00 0.00 O ATOM 280 CB MET A 354 22.524 3.189 13.525 1.00 0.00 C ATOM 281 CG MET A 354 22.715 2.052 14.528 1.00 0.00 C ATOM 282 SD MET A 354 23.234 0.555 13.654 1.00 0.00 S ATOM 283 CE MET A 354 22.698 -0.636 14.907 1.00 0.00 C ATOM 0 H MET A 354 24.819 3.697 14.264 1.00 0.00 H new ATOM 0 HA MET A 354 22.655 5.343 13.518 1.00 0.00 H new ATOM 0 HB2 MET A 354 21.490 3.215 13.181 1.00 0.00 H new ATOM 0 HB3 MET A 354 23.148 3.023 12.647 1.00 0.00 H new ATOM 0 HG2 MET A 354 23.463 2.330 15.270 1.00 0.00 H new ATOM 0 HG3 MET A 354 21.785 1.868 15.066 1.00 0.00 H new ATOM 0 HE1 MET A 354 22.926 -1.647 14.569 1.00 0.00 H new ATOM 0 HE2 MET A 354 23.221 -0.440 15.843 1.00 0.00 H new ATOM 0 HE3 MET A 354 21.624 -0.539 15.065 1.00 0.00 H new ATOM 293 N ALA A 355 22.636 4.124 16.553 1.00 0.00 N ATOM 294 CA ALA A 355 21.978 4.155 17.850 1.00 0.00 C ATOM 295 C ALA A 355 21.967 5.564 18.420 1.00 0.00 C ATOM 296 O ALA A 355 21.269 5.839 19.396 1.00 0.00 O ATOM 297 CB ALA A 355 22.707 3.219 18.812 1.00 0.00 C ATOM 0 H ALA A 355 23.545 3.661 16.555 1.00 0.00 H new ATOM 0 HA ALA A 355 20.946 3.827 17.723 1.00 0.00 H new ATOM 0 HB1 ALA A 355 22.215 3.241 19.784 1.00 0.00 H new ATOM 0 HB2 ALA A 355 22.685 2.203 18.418 1.00 0.00 H new ATOM 0 HB3 ALA A 355 23.742 3.544 18.922 1.00 0.00 H new ATOM 303 N LEU A 356 22.742 6.452 17.807 1.00 0.00 N ATOM 304 CA LEU A 356 22.808 7.831 18.263 1.00 0.00 C ATOM 305 C LEU A 356 22.584 8.779 17.096 1.00 0.00 C ATOM 306 O LEU A 356 22.433 9.983 17.295 1.00 0.00 O ATOM 307 CB LEU A 356 24.163 8.103 18.919 1.00 0.00 C ATOM 308 CG LEU A 356 25.286 7.856 17.907 1.00 0.00 C ATOM 309 CD1 LEU A 356 25.429 9.037 16.930 1.00 0.00 C ATOM 310 CD2 LEU A 356 26.605 7.657 18.656 1.00 0.00 C ATOM 0 H LEU A 356 23.328 6.242 16.999 1.00 0.00 H new ATOM 0 HA LEU A 356 22.024 7.997 19.001 1.00 0.00 H new ATOM 0 HB2 LEU A 356 24.204 9.131 19.278 1.00 0.00 H new ATOM 0 HB3 LEU A 356 24.294 7.457 19.787 1.00 0.00 H new ATOM 0 HG LEU A 356 25.038 6.964 17.331 1.00 0.00 H new ATOM 0 HD11 LEU A 356 26.234 8.831 16.225 1.00 0.00 H new ATOM 0 HD12 LEU A 356 24.495 9.173 16.385 1.00 0.00 H new ATOM 0 HD13 LEU A 356 25.659 9.945 17.488 1.00 0.00 H new ATOM 0 HD21 LEU A 356 27.407 7.481 17.939 1.00 0.00 H new ATOM 0 HD22 LEU A 356 26.830 8.549 19.240 1.00 0.00 H new ATOM 0 HD23 LEU A 356 26.519 6.799 19.323 1.00 0.00 H new ATOM 322 N ILE A 357 22.558 8.225 15.879 1.00 0.00 N ATOM 323 CA ILE A 357 22.337 9.040 14.684 1.00 0.00 C ATOM 324 C ILE A 357 21.329 10.143 14.989 1.00 0.00 C ATOM 325 O ILE A 357 21.492 11.286 14.566 1.00 0.00 O ATOM 326 CB ILE A 357 21.813 8.152 13.529 1.00 0.00 C ATOM 327 CG1 ILE A 357 22.939 7.841 12.525 1.00 0.00 C ATOM 328 CG2 ILE A 357 20.652 8.828 12.780 1.00 0.00 C ATOM 329 CD1 ILE A 357 23.505 9.129 11.918 1.00 0.00 C ATOM 0 H ILE A 357 22.686 7.229 15.698 1.00 0.00 H new ATOM 0 HA ILE A 357 23.281 9.493 14.383 1.00 0.00 H new ATOM 0 HB ILE A 357 21.454 7.226 13.977 1.00 0.00 H new ATOM 0 HG12 ILE A 357 23.735 7.290 13.025 1.00 0.00 H new ATOM 0 HG13 ILE A 357 22.557 7.198 11.732 1.00 0.00 H new ATOM 0 HG21 ILE A 357 20.309 8.177 11.976 1.00 0.00 H new ATOM 0 HG22 ILE A 357 19.831 9.013 13.472 1.00 0.00 H new ATOM 0 HG23 ILE A 357 20.992 9.775 12.360 1.00 0.00 H new ATOM 0 HD11 ILE A 357 24.298 8.881 11.213 1.00 0.00 H new ATOM 0 HD12 ILE A 357 22.711 9.665 11.398 1.00 0.00 H new ATOM 0 HD13 ILE A 357 23.909 9.758 12.711 1.00 0.00 H new ATOM 341 N ALA A 358 20.284 9.779 15.722 1.00 0.00 N ATOM 342 CA ALA A 358 19.243 10.737 16.078 1.00 0.00 C ATOM 343 C ALA A 358 19.538 11.382 17.428 1.00 0.00 C ATOM 344 O ALA A 358 19.063 12.481 17.718 1.00 0.00 O ATOM 345 CB ALA A 358 17.886 10.034 16.131 1.00 0.00 C ATOM 0 H ALA A 358 20.135 8.835 16.079 1.00 0.00 H new ATOM 0 HA ALA A 358 19.221 11.517 15.317 1.00 0.00 H new ATOM 0 HB1 ALA A 358 17.113 10.755 16.397 1.00 0.00 H new ATOM 0 HB2 ALA A 358 17.661 9.604 15.155 1.00 0.00 H new ATOM 0 HB3 ALA A 358 17.916 9.241 16.878 1.00 0.00 H new ATOM 351 N SER A 359 20.320 10.693 18.249 1.00 0.00 N ATOM 352 CA SER A 359 20.668 11.208 19.568 1.00 0.00 C ATOM 353 C SER A 359 21.950 12.034 19.507 1.00 0.00 C ATOM 354 O SER A 359 22.424 12.537 20.525 1.00 0.00 O ATOM 355 CB SER A 359 20.854 10.046 20.544 1.00 0.00 C ATOM 356 OG SER A 359 22.241 9.794 20.717 1.00 0.00 O ATOM 0 H SER A 359 20.723 9.783 18.028 1.00 0.00 H new ATOM 0 HA SER A 359 19.857 11.850 19.912 1.00 0.00 H new ATOM 0 HB2 SER A 359 20.394 10.285 21.503 1.00 0.00 H new ATOM 0 HB3 SER A 359 20.355 9.154 20.164 1.00 0.00 H new ATOM 0 HG SER A 359 22.363 9.050 21.344 1.00 0.00 H new ATOM 362 N GLY A 360 22.504 12.168 18.306 1.00 0.00 N ATOM 363 CA GLY A 360 23.731 12.935 18.125 1.00 0.00 C ATOM 364 C GLY A 360 23.705 13.704 16.809 1.00 0.00 C ATOM 365 O GLY A 360 24.601 13.563 15.978 1.00 0.00 O ATOM 0 H GLY A 360 22.127 11.759 17.451 1.00 0.00 H new ATOM 0 HA2 GLY A 360 23.855 13.631 18.955 1.00 0.00 H new ATOM 0 HA3 GLY A 360 24.590 12.264 18.141 1.00 0.00 H new ATOM 369 N VAL A 361 22.670 14.517 16.627 1.00 0.00 N ATOM 370 CA VAL A 361 22.537 15.305 15.408 1.00 0.00 C ATOM 371 C VAL A 361 21.412 16.324 15.550 1.00 0.00 C ATOM 372 O VAL A 361 21.134 17.091 14.627 1.00 0.00 O ATOM 373 CB VAL A 361 22.251 14.384 14.222 1.00 0.00 C ATOM 374 CG1 VAL A 361 20.749 14.109 14.135 1.00 0.00 C ATOM 375 CG2 VAL A 361 22.720 15.059 12.930 1.00 0.00 C ATOM 0 H VAL A 361 21.917 14.647 17.302 1.00 0.00 H new ATOM 0 HA VAL A 361 23.472 15.838 15.236 1.00 0.00 H new ATOM 0 HB VAL A 361 22.784 13.443 14.358 1.00 0.00 H new ATOM 0 HG11 VAL A 361 20.548 13.452 13.289 1.00 0.00 H new ATOM 0 HG12 VAL A 361 20.413 13.629 15.054 1.00 0.00 H new ATOM 0 HG13 VAL A 361 20.214 15.049 14.000 1.00 0.00 H new ATOM 0 HG21 VAL A 361 22.517 14.404 12.083 1.00 0.00 H new ATOM 0 HG22 VAL A 361 22.187 16.000 12.797 1.00 0.00 H new ATOM 0 HG23 VAL A 361 23.791 15.254 12.989 1.00 0.00 H new ATOM 385 N VAL A 362 20.766 16.327 16.712 1.00 0.00 N ATOM 386 CA VAL A 362 19.672 17.257 16.964 1.00 0.00 C ATOM 387 C VAL A 362 20.207 18.673 17.153 1.00 0.00 C ATOM 388 O VAL A 362 19.626 19.638 16.656 1.00 0.00 O ATOM 389 CB VAL A 362 18.902 16.831 18.213 1.00 0.00 C ATOM 390 CG1 VAL A 362 19.838 16.845 19.422 1.00 0.00 C ATOM 391 CG2 VAL A 362 17.744 17.803 18.455 1.00 0.00 C ATOM 0 H VAL A 362 20.979 15.701 17.488 1.00 0.00 H new ATOM 0 HA VAL A 362 19.003 17.244 16.103 1.00 0.00 H new ATOM 0 HB VAL A 362 18.509 15.824 18.070 1.00 0.00 H new ATOM 0 HG11 VAL A 362 19.287 16.541 20.312 1.00 0.00 H new ATOM 0 HG12 VAL A 362 20.663 16.153 19.252 1.00 0.00 H new ATOM 0 HG13 VAL A 362 20.232 17.851 19.565 1.00 0.00 H new ATOM 0 HG21 VAL A 362 17.194 17.499 19.346 1.00 0.00 H new ATOM 0 HG22 VAL A 362 18.137 18.810 18.597 1.00 0.00 H new ATOM 0 HG23 VAL A 362 17.075 17.793 17.595 1.00 0.00 H new ATOM 401 N MET A 363 21.317 18.790 17.874 1.00 0.00 N ATOM 402 CA MET A 363 21.923 20.092 18.121 1.00 0.00 C ATOM 403 C MET A 363 20.978 20.978 18.929 1.00 0.00 C ATOM 404 O MET A 363 20.202 20.486 19.749 1.00 0.00 O ATOM 405 CB MET A 363 22.255 20.776 16.793 1.00 0.00 C ATOM 406 CG MET A 363 22.766 19.733 15.797 1.00 0.00 C ATOM 407 SD MET A 363 23.931 20.513 14.652 1.00 0.00 S ATOM 408 CE MET A 363 23.331 19.717 13.141 1.00 0.00 C ATOM 0 H MET A 363 21.812 18.004 18.295 1.00 0.00 H new ATOM 0 HA MET A 363 22.840 19.942 18.691 1.00 0.00 H new ATOM 0 HB2 MET A 363 21.369 21.271 16.395 1.00 0.00 H new ATOM 0 HB3 MET A 363 23.009 21.548 16.947 1.00 0.00 H new ATOM 0 HG2 MET A 363 23.254 18.915 16.328 1.00 0.00 H new ATOM 0 HG3 MET A 363 21.931 19.301 15.245 1.00 0.00 H new ATOM 0 HE1 MET A 363 23.920 20.060 12.290 1.00 0.00 H new ATOM 0 HE2 MET A 363 23.428 18.635 13.236 1.00 0.00 H new ATOM 0 HE3 MET A 363 22.284 19.975 12.985 1.00 0.00 H new ATOM 418 N ARG A 364 21.050 22.283 18.691 1.00 0.00 N ATOM 419 CA ARG A 364 20.196 23.227 19.402 1.00 0.00 C ATOM 420 C ARG A 364 19.658 24.286 18.445 1.00 0.00 C ATOM 421 O ARG A 364 20.078 25.443 18.479 1.00 0.00 O ATOM 422 CB ARG A 364 20.983 23.902 20.527 1.00 0.00 C ATOM 423 CG ARG A 364 21.527 22.840 21.483 1.00 0.00 C ATOM 424 CD ARG A 364 21.550 23.399 22.906 1.00 0.00 C ATOM 425 NE ARG A 364 22.343 22.536 23.776 1.00 0.00 N ATOM 426 CZ ARG A 364 22.745 22.952 24.972 1.00 0.00 C ATOM 427 NH1 ARG A 364 22.433 24.150 25.386 1.00 0.00 N ATOM 428 NH2 ARG A 364 23.453 22.162 25.733 1.00 0.00 N ATOM 0 H ARG A 364 21.686 22.709 18.017 1.00 0.00 H new ATOM 0 HA ARG A 364 19.356 22.679 19.829 1.00 0.00 H new ATOM 0 HB2 ARG A 364 21.804 24.485 20.110 1.00 0.00 H new ATOM 0 HB3 ARG A 364 20.340 24.597 21.067 1.00 0.00 H new ATOM 0 HG2 ARG A 364 20.905 21.946 21.442 1.00 0.00 H new ATOM 0 HG3 ARG A 364 22.532 22.544 21.181 1.00 0.00 H new ATOM 0 HD2 ARG A 364 21.968 24.406 22.902 1.00 0.00 H new ATOM 0 HD3 ARG A 364 20.533 23.478 23.290 1.00 0.00 H new ATOM 0 HE ARG A 364 22.593 21.599 23.461 1.00 0.00 H new ATOM 0 HH11 ARG A 364 21.880 24.767 24.791 1.00 0.00 H new ATOM 0 HH12 ARG A 364 22.742 24.469 26.304 1.00 0.00 H new ATOM 0 HH21 ARG A 364 23.697 21.226 25.409 1.00 0.00 H new ATOM 0 HH22 ARG A 364 23.762 22.481 26.651 1.00 0.00 H new ATOM 442 N PRO A 365 18.743 23.903 17.601 1.00 0.00 N ATOM 443 CA PRO A 365 18.123 24.818 16.607 1.00 0.00 C ATOM 444 C PRO A 365 16.989 25.643 17.210 1.00 0.00 C ATOM 445 O PRO A 365 16.835 26.824 16.901 1.00 0.00 O ATOM 446 CB PRO A 365 17.596 23.861 15.539 1.00 0.00 C ATOM 447 CG PRO A 365 17.313 22.577 16.255 1.00 0.00 C ATOM 448 CD PRO A 365 18.197 22.543 17.502 1.00 0.00 C ATOM 0 HA PRO A 365 18.828 25.555 16.224 1.00 0.00 H new ATOM 0 HB2 PRO A 365 16.695 24.255 15.070 1.00 0.00 H new ATOM 0 HB3 PRO A 365 18.330 23.715 14.747 1.00 0.00 H new ATOM 0 HG2 PRO A 365 16.260 22.515 16.530 1.00 0.00 H new ATOM 0 HG3 PRO A 365 17.525 21.724 15.611 1.00 0.00 H new ATOM 0 HD2 PRO A 365 17.622 22.280 18.390 1.00 0.00 H new ATOM 0 HD3 PRO A 365 18.991 21.802 17.406 1.00 0.00 H new ATOM 456 N LYS A 366 16.199 25.011 18.072 1.00 0.00 N ATOM 457 CA LYS A 366 15.082 25.695 18.714 1.00 0.00 C ATOM 458 C LYS A 366 14.168 26.328 17.669 1.00 0.00 C ATOM 459 O LYS A 366 13.322 27.161 17.993 1.00 0.00 O ATOM 460 CB LYS A 366 15.605 26.780 19.658 1.00 0.00 C ATOM 461 CG LYS A 366 16.668 26.182 20.583 1.00 0.00 C ATOM 462 CD LYS A 366 17.209 27.271 21.514 1.00 0.00 C ATOM 463 CE LYS A 366 18.480 27.872 20.913 1.00 0.00 C ATOM 464 NZ LYS A 366 19.602 26.899 21.048 1.00 0.00 N ATOM 0 H LYS A 366 16.310 24.033 18.341 1.00 0.00 H new ATOM 0 HA LYS A 366 14.512 24.961 19.284 1.00 0.00 H new ATOM 0 HB2 LYS A 366 16.029 27.603 19.083 1.00 0.00 H new ATOM 0 HB3 LYS A 366 14.785 27.191 20.247 1.00 0.00 H new ATOM 0 HG2 LYS A 366 16.239 25.369 21.168 1.00 0.00 H new ATOM 0 HG3 LYS A 366 17.480 25.757 19.993 1.00 0.00 H new ATOM 0 HD2 LYS A 366 16.458 28.049 21.656 1.00 0.00 H new ATOM 0 HD3 LYS A 366 17.422 26.851 22.497 1.00 0.00 H new ATOM 0 HE2 LYS A 366 18.319 28.114 19.863 1.00 0.00 H new ATOM 0 HE3 LYS A 366 18.730 28.804 21.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 20.480 27.410 21.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 19.390 26.228 21.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 19.720 26.379 20.155 1.00 0.00 H new ATOM 478 N LYS A 367 14.343 25.925 16.415 1.00 0.00 N ATOM 479 CA LYS A 367 13.526 26.459 15.331 1.00 0.00 C ATOM 480 C LYS A 367 13.528 27.984 15.362 1.00 0.00 C ATOM 481 O LYS A 367 12.469 28.609 15.422 1.00 0.00 O ATOM 482 CB LYS A 367 12.091 25.945 15.456 1.00 0.00 C ATOM 483 CG LYS A 367 12.110 24.455 15.801 1.00 0.00 C ATOM 484 CD LYS A 367 10.973 23.745 15.062 1.00 0.00 C ATOM 485 CE LYS A 367 9.639 24.396 15.431 1.00 0.00 C ATOM 486 NZ LYS A 367 9.181 25.263 14.309 1.00 0.00 N ATOM 0 H LYS A 367 15.037 25.236 16.125 1.00 0.00 H new ATOM 0 HA LYS A 367 13.949 26.125 14.383 1.00 0.00 H new ATOM 0 HB2 LYS A 367 11.560 26.501 16.229 1.00 0.00 H new ATOM 0 HB3 LYS A 367 11.553 26.106 14.522 1.00 0.00 H new ATOM 0 HG2 LYS A 367 13.069 24.018 15.521 1.00 0.00 H new ATOM 0 HG3 LYS A 367 12.000 24.319 16.877 1.00 0.00 H new ATOM 0 HD2 LYS A 367 11.133 23.803 13.985 1.00 0.00 H new ATOM 0 HD3 LYS A 367 10.959 22.687 15.325 1.00 0.00 H new ATOM 0 HE2 LYS A 367 8.893 23.629 15.639 1.00 0.00 H new ATOM 0 HE3 LYS A 367 9.750 24.988 16.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 9.392 26.257 14.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 9.675 24.990 13.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 8.156 25.148 14.177 1.00 0.00 H new HETATM 500 N NH2 A 368 14.664 28.625 15.322 1.00 0.00 N TER 503 NH2 A 368