USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=8 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=-0.185) USER MOD Single : A 338 SER OG : rot 180:sc=-0.00417 USER MOD Single : A 339 TYR OH : rot 130:sc= -4.34! USER MOD Single : A 340 MET CE :methyl 171:sc= -5.81! (180deg=-6.36) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot 147:sc= 1.03 USER MOD Single : A 349 HIS : no HD1:sc= -4.22 K(o=-4.2,f=-2) USER MOD Single : A 351 SER OG : rot 180:sc= 0 USER MOD Single : A 354 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot 180:sc= 0 USER MOD Single : A 363 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 366 LYS NZ :NH3+ 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 36.907 9.636 -8.476 1.00 0.00 C HETATM 2 O ACE A 336 38.027 10.074 -8.224 1.00 0.00 O HETATM 3 CH3 ACE A 336 36.460 9.438 -9.921 1.00 0.00 C HETATM 0 H1 ACE A 336 36.220 8.388 -10.087 1.00 0.00 H new HETATM 0 H2 ACE A 336 35.577 10.047 -10.116 1.00 0.00 H new HETATM 0 H3 ACE A 336 37.263 9.737 -10.595 1.00 0.00 H new ATOM 7 N LYS A 337 36.019 9.301 -7.540 1.00 0.00 N ATOM 8 CA LYS A 337 36.312 9.436 -6.108 1.00 0.00 C ATOM 9 C LYS A 337 35.056 9.212 -5.269 1.00 0.00 C ATOM 10 O LYS A 337 35.144 8.908 -4.080 1.00 0.00 O ATOM 11 CB LYS A 337 36.883 10.830 -5.775 1.00 0.00 C ATOM 12 CG LYS A 337 36.083 11.943 -6.478 1.00 0.00 C ATOM 13 CD LYS A 337 35.056 12.532 -5.509 1.00 0.00 C ATOM 14 CE LYS A 337 33.998 13.304 -6.299 1.00 0.00 C ATOM 15 NZ LYS A 337 34.650 14.416 -7.046 1.00 0.00 N ATOM 0 H LYS A 337 35.090 8.934 -7.745 1.00 0.00 H new ATOM 0 HA LYS A 337 37.056 8.677 -5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 337 36.859 10.987 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 337 37.928 10.881 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 337 36.758 12.725 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 337 35.579 11.542 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 337 34.586 11.736 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.549 13.194 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 337 33.487 12.636 -6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 337 33.241 13.701 -5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 33.924 15.078 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 35.308 14.918 -6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 35.174 14.029 -7.857 1.00 0.00 H new ATOM 29 N SER A 338 33.891 9.378 -5.887 1.00 0.00 N ATOM 30 CA SER A 338 32.626 9.207 -5.178 1.00 0.00 C ATOM 31 C SER A 338 31.957 7.895 -5.570 1.00 0.00 C ATOM 32 O SER A 338 31.221 7.832 -6.554 1.00 0.00 O ATOM 33 CB SER A 338 31.689 10.372 -5.496 1.00 0.00 C ATOM 34 OG SER A 338 30.355 10.006 -5.170 1.00 0.00 O ATOM 0 H SER A 338 33.796 9.629 -6.871 1.00 0.00 H new ATOM 0 HA SER A 338 32.835 9.186 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 338 31.984 11.256 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.759 10.632 -6.552 1.00 0.00 H new ATOM 0 HG SER A 338 29.752 10.752 -5.372 1.00 0.00 H new ATOM 40 N TYR A 339 32.219 6.852 -4.790 1.00 0.00 N ATOM 41 CA TYR A 339 31.639 5.540 -5.059 1.00 0.00 C ATOM 42 C TYR A 339 32.219 4.482 -4.110 1.00 0.00 C ATOM 43 O TYR A 339 31.906 4.465 -2.920 1.00 0.00 O ATOM 44 CB TYR A 339 31.893 5.146 -6.523 1.00 0.00 C ATOM 45 CG TYR A 339 33.236 5.669 -7.016 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.308 5.866 -6.138 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.390 5.940 -8.381 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.535 6.334 -6.625 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.616 6.408 -8.868 1.00 0.00 C ATOM 50 CZ TYR A 339 35.689 6.605 -7.990 1.00 0.00 C ATOM 51 OH TYR A 339 36.900 7.053 -8.471 1.00 0.00 O ATOM 0 H TYR A 339 32.826 6.888 -3.971 1.00 0.00 H new ATOM 0 HA TYR A 339 30.564 5.593 -4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.867 4.061 -6.619 1.00 0.00 H new ATOM 0 HB3 TYR A 339 31.095 5.541 -7.151 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.189 5.657 -5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.563 5.788 -9.058 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.362 6.486 -5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.734 6.617 -9.921 1.00 0.00 H new ATOM 0 HH TYR A 339 37.166 6.511 -9.243 1.00 0.00 H new ATOM 61 N MET A 340 33.076 3.613 -4.647 1.00 0.00 N ATOM 62 CA MET A 340 33.705 2.563 -3.852 1.00 0.00 C ATOM 63 C MET A 340 34.528 3.159 -2.717 1.00 0.00 C ATOM 64 O MET A 340 35.051 2.437 -1.868 1.00 0.00 O ATOM 65 CB MET A 340 34.619 1.724 -4.748 1.00 0.00 C ATOM 66 CG MET A 340 35.732 2.609 -5.322 1.00 0.00 C ATOM 67 SD MET A 340 36.202 1.996 -6.960 1.00 0.00 S ATOM 68 CE MET A 340 36.163 3.585 -7.828 1.00 0.00 C ATOM 0 H MET A 340 33.349 3.617 -5.630 1.00 0.00 H new ATOM 0 HA MET A 340 32.921 1.939 -3.424 1.00 0.00 H new ATOM 0 HB2 MET A 340 35.052 0.903 -4.176 1.00 0.00 H new ATOM 0 HB3 MET A 340 34.041 1.278 -5.558 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.391 3.642 -5.392 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.596 2.603 -4.657 1.00 0.00 H new ATOM 0 HE1 MET A 340 36.579 3.463 -8.828 1.00 0.00 H new ATOM 0 HE2 MET A 340 35.133 3.933 -7.903 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.754 4.316 -7.276 1.00 0.00 H new ATOM 78 N ALA A 341 34.651 4.478 -2.719 1.00 0.00 N ATOM 79 CA ALA A 341 35.427 5.166 -1.698 1.00 0.00 C ATOM 80 C ALA A 341 34.545 5.617 -0.540 1.00 0.00 C ATOM 81 O ALA A 341 34.986 5.656 0.609 1.00 0.00 O ATOM 82 CB ALA A 341 36.099 6.390 -2.313 1.00 0.00 C ATOM 0 H ALA A 341 34.225 5.092 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 341 36.174 4.471 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.681 6.907 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.759 6.075 -3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.338 7.063 -2.707 1.00 0.00 H new ATOM 88 N TYR A 342 33.308 5.981 -0.850 1.00 0.00 N ATOM 89 CA TYR A 342 32.389 6.456 0.172 1.00 0.00 C ATOM 90 C TYR A 342 31.502 5.329 0.704 1.00 0.00 C ATOM 91 O TYR A 342 31.356 5.177 1.917 1.00 0.00 O ATOM 92 CB TYR A 342 31.528 7.580 -0.403 1.00 0.00 C ATOM 93 CG TYR A 342 30.196 7.023 -0.827 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.158 6.890 0.103 1.00 0.00 C ATOM 95 CD2 TYR A 342 30.000 6.630 -2.156 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.924 6.364 -0.296 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.765 6.104 -2.555 1.00 0.00 C ATOM 98 CZ TYR A 342 27.727 5.971 -1.626 1.00 0.00 C ATOM 99 OH TYR A 342 26.511 5.452 -2.019 1.00 0.00 O ATOM 0 H TYR A 342 32.921 5.957 -1.793 1.00 0.00 H new ATOM 0 HA TYR A 342 32.975 6.832 1.010 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.387 8.362 0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 342 32.031 8.038 -1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.310 7.193 1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.801 6.732 -2.873 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.123 6.261 0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.614 5.801 -3.580 1.00 0.00 H new ATOM 0 HH TYR A 342 26.543 5.231 -2.973 1.00 0.00 H new ATOM 109 N LEU A 343 30.902 4.547 -0.192 1.00 0.00 N ATOM 110 CA LEU A 343 30.033 3.459 0.245 1.00 0.00 C ATOM 111 C LEU A 343 30.832 2.421 1.024 1.00 0.00 C ATOM 112 O LEU A 343 30.264 1.580 1.720 1.00 0.00 O ATOM 113 CB LEU A 343 29.325 2.801 -0.947 1.00 0.00 C ATOM 114 CG LEU A 343 30.345 2.133 -1.876 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.371 0.623 -1.617 1.00 0.00 C ATOM 116 CD2 LEU A 343 29.941 2.378 -3.334 1.00 0.00 C ATOM 0 H LEU A 343 30.999 4.643 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 343 29.270 3.881 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.610 2.060 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 343 28.758 3.550 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 343 31.332 2.555 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 343 31.097 0.153 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.651 0.436 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.383 0.204 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.665 1.904 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.953 1.955 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 343 29.918 3.450 -3.530 1.00 0.00 H new ATOM 128 N SER A 344 32.152 2.497 0.913 1.00 0.00 N ATOM 129 CA SER A 344 33.022 1.569 1.623 1.00 0.00 C ATOM 130 C SER A 344 33.396 2.146 2.984 1.00 0.00 C ATOM 131 O SER A 344 34.156 1.542 3.740 1.00 0.00 O ATOM 132 CB SER A 344 34.291 1.310 0.809 1.00 0.00 C ATOM 133 OG SER A 344 33.932 0.809 -0.472 1.00 0.00 O ATOM 0 H SER A 344 32.641 3.187 0.342 1.00 0.00 H new ATOM 0 HA SER A 344 32.491 0.628 1.764 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.864 2.231 0.705 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.929 0.594 1.327 1.00 0.00 H new ATOM 0 HG SER A 344 34.580 1.120 -1.138 1.00 0.00 H new ATOM 139 N ALA A 345 32.854 3.326 3.280 1.00 0.00 N ATOM 140 CA ALA A 345 33.128 3.998 4.546 1.00 0.00 C ATOM 141 C ALA A 345 31.835 4.240 5.319 1.00 0.00 C ATOM 142 O ALA A 345 31.796 5.056 6.240 1.00 0.00 O ATOM 143 CB ALA A 345 33.815 5.338 4.277 1.00 0.00 C ATOM 0 H ALA A 345 32.224 3.835 2.660 1.00 0.00 H new ATOM 0 HA ALA A 345 33.780 3.360 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.019 5.839 5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.752 5.167 3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.164 5.965 3.668 1.00 0.00 H new ATOM 149 N GLU A 346 30.779 3.530 4.938 1.00 0.00 N ATOM 150 CA GLU A 346 29.489 3.683 5.604 1.00 0.00 C ATOM 151 C GLU A 346 28.723 2.366 5.602 1.00 0.00 C ATOM 152 O GLU A 346 27.566 2.312 5.186 1.00 0.00 O ATOM 153 CB GLU A 346 28.661 4.750 4.892 1.00 0.00 C ATOM 154 CG GLU A 346 28.640 4.456 3.393 1.00 0.00 C ATOM 155 CD GLU A 346 27.204 4.446 2.882 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.440 5.298 3.305 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.888 3.586 2.076 1.00 0.00 O ATOM 0 H GLU A 346 30.789 2.849 4.179 1.00 0.00 H new ATOM 0 HA GLU A 346 29.669 3.985 6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.645 4.761 5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.085 5.737 5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.219 5.209 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.111 3.493 3.197 1.00 0.00 H new ATOM 164 N LEU A 347 29.378 1.311 6.072 1.00 0.00 N ATOM 165 CA LEU A 347 28.754 -0.007 6.126 1.00 0.00 C ATOM 166 C LEU A 347 28.923 -0.612 7.514 1.00 0.00 C ATOM 167 O LEU A 347 28.488 -1.735 7.772 1.00 0.00 O ATOM 168 CB LEU A 347 29.388 -0.926 5.080 1.00 0.00 C ATOM 169 CG LEU A 347 30.894 -1.018 5.326 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.280 -2.471 5.600 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.643 -0.518 4.089 1.00 0.00 C ATOM 0 H LEU A 347 30.336 1.341 6.420 1.00 0.00 H new ATOM 0 HA LEU A 347 27.690 0.099 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 347 28.939 -1.918 5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.195 -0.542 4.078 1.00 0.00 H new ATOM 0 HG LEU A 347 31.159 -0.404 6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.354 -2.535 5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 347 30.747 -2.829 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.015 -3.086 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.717 -0.583 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.377 -1.133 3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.369 0.519 3.892 1.00 0.00 H new ATOM 183 N PHE A 348 29.558 0.144 8.402 1.00 0.00 N ATOM 184 CA PHE A 348 29.783 -0.317 9.764 1.00 0.00 C ATOM 185 C PHE A 348 29.612 0.836 10.749 1.00 0.00 C ATOM 186 O PHE A 348 29.679 0.645 11.962 1.00 0.00 O ATOM 187 CB PHE A 348 31.196 -0.895 9.892 1.00 0.00 C ATOM 188 CG PHE A 348 32.084 -0.310 8.816 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.131 1.077 8.626 1.00 0.00 C ATOM 190 CD2 PHE A 348 32.860 -1.153 8.012 1.00 0.00 C ATOM 191 CE1 PHE A 348 32.956 1.620 7.634 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.683 -0.610 7.018 1.00 0.00 C ATOM 193 CZ PHE A 348 33.732 0.776 6.829 1.00 0.00 C ATOM 0 H PHE A 348 29.924 1.075 8.203 1.00 0.00 H new ATOM 0 HA PHE A 348 29.052 -1.092 9.995 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.604 -0.669 10.877 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.165 -1.981 9.801 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.531 1.727 9.245 1.00 0.00 H new ATOM 0 HD2 PHE A 348 32.824 -2.222 8.158 1.00 0.00 H new ATOM 0 HE1 PHE A 348 32.994 2.690 7.489 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.280 -1.261 6.397 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.368 1.195 6.063 1.00 0.00 H new ATOM 203 N HIS A 349 29.401 2.035 10.213 1.00 0.00 N ATOM 204 CA HIS A 349 29.233 3.219 11.044 1.00 0.00 C ATOM 205 C HIS A 349 28.008 3.091 11.943 1.00 0.00 C ATOM 206 O HIS A 349 27.684 4.007 12.698 1.00 0.00 O ATOM 207 CB HIS A 349 29.089 4.458 10.162 1.00 0.00 C ATOM 208 CG HIS A 349 27.842 4.349 9.327 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.827 5.291 9.391 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.436 3.422 8.399 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.869 4.914 8.525 1.00 0.00 C ATOM 212 NE2 HIS A 349 26.189 3.781 7.894 1.00 0.00 N ATOM 0 H HIS A 349 29.343 2.210 9.210 1.00 0.00 H new ATOM 0 HA HIS A 349 30.117 3.316 11.675 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.045 5.353 10.782 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.962 4.559 9.517 1.00 0.00 H new ATOM 0 HD2 HIS A 349 27.998 2.548 8.106 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.952 5.461 8.360 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.638 3.285 7.193 1.00 0.00 H new ATOM 220 N LEU A 350 27.335 1.950 11.853 1.00 0.00 N ATOM 221 CA LEU A 350 26.150 1.702 12.654 1.00 0.00 C ATOM 222 C LEU A 350 26.236 0.325 13.305 1.00 0.00 C ATOM 223 O LEU A 350 26.524 0.212 14.488 1.00 0.00 O ATOM 224 CB LEU A 350 24.898 1.772 11.774 1.00 0.00 C ATOM 225 CG LEU A 350 24.823 3.137 11.081 1.00 0.00 C ATOM 226 CD1 LEU A 350 23.729 3.103 10.013 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.498 4.237 12.100 1.00 0.00 C ATOM 0 H LEU A 350 27.593 1.183 11.232 1.00 0.00 H new ATOM 0 HA LEU A 350 26.088 2.464 13.431 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.922 0.977 11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.007 1.613 12.381 1.00 0.00 H new ATOM 0 HG LEU A 350 25.788 3.352 10.622 1.00 0.00 H new ATOM 0 HD11 LEU A 350 23.673 4.073 9.518 1.00 0.00 H new ATOM 0 HD12 LEU A 350 23.962 2.333 9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 350 22.770 2.879 10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.448 5.200 11.592 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.538 4.025 12.571 1.00 0.00 H new ATOM 0 HD23 LEU A 350 25.277 4.268 12.862 1.00 0.00 H new ATOM 239 N SER A 351 25.980 -0.715 12.523 1.00 0.00 N ATOM 240 CA SER A 351 26.027 -2.083 13.043 1.00 0.00 C ATOM 241 C SER A 351 27.288 -2.312 13.878 1.00 0.00 C ATOM 242 O SER A 351 28.294 -2.806 13.371 1.00 0.00 O ATOM 243 CB SER A 351 25.997 -3.079 11.884 1.00 0.00 C ATOM 244 OG SER A 351 25.802 -4.391 12.398 1.00 0.00 O ATOM 0 H SER A 351 25.739 -0.644 11.534 1.00 0.00 H new ATOM 0 HA SER A 351 25.157 -2.233 13.682 1.00 0.00 H new ATOM 0 HB2 SER A 351 25.195 -2.824 11.191 1.00 0.00 H new ATOM 0 HB3 SER A 351 26.930 -3.030 11.323 1.00 0.00 H new ATOM 0 HG SER A 351 25.781 -5.033 11.658 1.00 0.00 H new ATOM 250 N GLY A 352 27.228 -1.937 15.157 1.00 0.00 N ATOM 251 CA GLY A 352 28.370 -2.092 16.048 1.00 0.00 C ATOM 252 C GLY A 352 28.667 -0.761 16.712 1.00 0.00 C ATOM 253 O GLY A 352 29.033 -0.696 17.885 1.00 0.00 O ATOM 0 H GLY A 352 26.403 -1.526 15.594 1.00 0.00 H new ATOM 0 HA2 GLY A 352 28.158 -2.849 16.803 1.00 0.00 H new ATOM 0 HA3 GLY A 352 29.240 -2.435 15.488 1.00 0.00 H new ATOM 257 N ILE A 353 28.483 0.305 15.944 1.00 0.00 N ATOM 258 CA ILE A 353 28.703 1.650 16.442 1.00 0.00 C ATOM 259 C ILE A 353 27.385 2.237 16.938 1.00 0.00 C ATOM 260 O ILE A 353 27.360 3.036 17.869 1.00 0.00 O ATOM 261 CB ILE A 353 29.262 2.534 15.323 1.00 0.00 C ATOM 262 CG1 ILE A 353 30.522 1.890 14.722 1.00 0.00 C ATOM 263 CG2 ILE A 353 29.600 3.916 15.883 1.00 0.00 C ATOM 264 CD1 ILE A 353 31.541 1.567 15.820 1.00 0.00 C ATOM 0 H ILE A 353 28.181 0.260 14.971 1.00 0.00 H new ATOM 0 HA ILE A 353 29.417 1.612 17.264 1.00 0.00 H new ATOM 0 HB ILE A 353 28.512 2.636 14.539 1.00 0.00 H new ATOM 0 HG12 ILE A 353 30.252 0.978 14.190 1.00 0.00 H new ATOM 0 HG13 ILE A 353 30.968 2.565 13.992 1.00 0.00 H new ATOM 0 HG21 ILE A 353 29.998 4.544 15.086 1.00 0.00 H new ATOM 0 HG22 ILE A 353 28.699 4.374 16.290 1.00 0.00 H new ATOM 0 HG23 ILE A 353 30.345 3.816 16.672 1.00 0.00 H new ATOM 0 HD11 ILE A 353 32.425 1.112 15.373 1.00 0.00 H new ATOM 0 HD12 ILE A 353 31.826 2.485 16.334 1.00 0.00 H new ATOM 0 HD13 ILE A 353 31.098 0.874 16.535 1.00 0.00 H new ATOM 276 N MET A 354 26.294 1.832 16.291 1.00 0.00 N ATOM 277 CA MET A 354 24.963 2.316 16.635 1.00 0.00 C ATOM 278 C MET A 354 24.538 1.862 18.029 1.00 0.00 C ATOM 279 O MET A 354 23.833 2.577 18.740 1.00 0.00 O ATOM 280 CB MET A 354 23.933 1.800 15.629 1.00 0.00 C ATOM 281 CG MET A 354 23.970 0.270 15.592 1.00 0.00 C ATOM 282 SD MET A 354 22.496 -0.388 16.408 1.00 0.00 S ATOM 283 CE MET A 354 22.137 -1.694 15.207 1.00 0.00 C ATOM 0 H MET A 354 26.309 1.164 15.520 1.00 0.00 H new ATOM 0 HA MET A 354 25.007 3.405 16.613 1.00 0.00 H new ATOM 0 HB2 MET A 354 22.936 2.143 15.906 1.00 0.00 H new ATOM 0 HB3 MET A 354 24.144 2.203 14.638 1.00 0.00 H new ATOM 0 HG2 MET A 354 24.014 -0.079 14.560 1.00 0.00 H new ATOM 0 HG3 MET A 354 24.868 -0.095 16.090 1.00 0.00 H new ATOM 0 HE1 MET A 354 21.247 -2.240 15.519 1.00 0.00 H new ATOM 0 HE2 MET A 354 21.966 -1.250 14.227 1.00 0.00 H new ATOM 0 HE3 MET A 354 22.982 -2.380 15.152 1.00 0.00 H new ATOM 293 N ALA A 355 24.952 0.656 18.395 1.00 0.00 N ATOM 294 CA ALA A 355 24.594 0.086 19.687 1.00 0.00 C ATOM 295 C ALA A 355 25.358 0.769 20.809 1.00 0.00 C ATOM 296 O ALA A 355 24.971 0.692 21.976 1.00 0.00 O ATOM 297 CB ALA A 355 24.907 -1.408 19.683 1.00 0.00 C ATOM 0 H ALA A 355 25.536 0.054 17.815 1.00 0.00 H new ATOM 0 HA ALA A 355 23.528 0.240 19.856 1.00 0.00 H new ATOM 0 HB1 ALA A 355 24.640 -1.838 20.648 1.00 0.00 H new ATOM 0 HB2 ALA A 355 24.333 -1.898 18.896 1.00 0.00 H new ATOM 0 HB3 ALA A 355 25.971 -1.556 19.501 1.00 0.00 H new ATOM 303 N LEU A 356 26.440 1.438 20.441 1.00 0.00 N ATOM 304 CA LEU A 356 27.265 2.142 21.410 1.00 0.00 C ATOM 305 C LEU A 356 27.201 3.641 21.160 1.00 0.00 C ATOM 306 O LEU A 356 27.559 4.430 22.032 1.00 0.00 O ATOM 307 CB LEU A 356 28.717 1.671 21.318 1.00 0.00 C ATOM 308 CG LEU A 356 28.875 0.694 20.156 1.00 0.00 C ATOM 309 CD1 LEU A 356 30.362 0.413 19.928 1.00 0.00 C ATOM 310 CD2 LEU A 356 28.158 -0.616 20.489 1.00 0.00 C ATOM 0 H LEU A 356 26.767 1.508 19.477 1.00 0.00 H new ATOM 0 HA LEU A 356 26.884 1.925 22.408 1.00 0.00 H new ATOM 0 HB2 LEU A 356 29.377 2.527 21.177 1.00 0.00 H new ATOM 0 HB3 LEU A 356 29.012 1.191 22.251 1.00 0.00 H new ATOM 0 HG LEU A 356 28.441 1.128 19.255 1.00 0.00 H new ATOM 0 HD11 LEU A 356 30.477 -0.285 19.098 1.00 0.00 H new ATOM 0 HD12 LEU A 356 30.876 1.345 19.693 1.00 0.00 H new ATOM 0 HD13 LEU A 356 30.793 -0.022 20.830 1.00 0.00 H new ATOM 0 HD21 LEU A 356 28.271 -1.314 19.659 1.00 0.00 H new ATOM 0 HD22 LEU A 356 28.593 -1.050 21.390 1.00 0.00 H new ATOM 0 HD23 LEU A 356 27.099 -0.419 20.656 1.00 0.00 H new ATOM 322 N ILE A 357 26.746 4.018 19.961 1.00 0.00 N ATOM 323 CA ILE A 357 26.634 5.438 19.596 1.00 0.00 C ATOM 324 C ILE A 357 26.299 6.278 20.827 1.00 0.00 C ATOM 325 O ILE A 357 26.898 7.328 21.057 1.00 0.00 O ATOM 326 CB ILE A 357 25.550 5.623 18.512 1.00 0.00 C ATOM 327 CG1 ILE A 357 26.233 5.889 17.159 1.00 0.00 C ATOM 328 CG2 ILE A 357 24.619 6.806 18.847 1.00 0.00 C ATOM 329 CD1 ILE A 357 25.190 5.925 16.037 1.00 0.00 C ATOM 0 H ILE A 357 26.451 3.369 19.232 1.00 0.00 H new ATOM 0 HA ILE A 357 27.591 5.773 19.197 1.00 0.00 H new ATOM 0 HB ILE A 357 24.949 4.714 18.468 1.00 0.00 H new ATOM 0 HG12 ILE A 357 26.771 6.836 17.195 1.00 0.00 H new ATOM 0 HG13 ILE A 357 26.969 5.111 16.956 1.00 0.00 H new ATOM 0 HG21 ILE A 357 23.867 6.910 18.065 1.00 0.00 H new ATOM 0 HG22 ILE A 357 24.126 6.622 19.802 1.00 0.00 H new ATOM 0 HG23 ILE A 357 25.205 7.723 18.911 1.00 0.00 H new ATOM 0 HD11 ILE A 357 25.686 6.114 15.085 1.00 0.00 H new ATOM 0 HD12 ILE A 357 24.671 4.968 15.992 1.00 0.00 H new ATOM 0 HD13 ILE A 357 24.470 6.719 16.235 1.00 0.00 H new ATOM 341 N ALA A 358 25.335 5.804 21.609 1.00 0.00 N ATOM 342 CA ALA A 358 24.920 6.517 22.811 1.00 0.00 C ATOM 343 C ALA A 358 25.714 6.042 24.026 1.00 0.00 C ATOM 344 O ALA A 358 25.906 6.791 24.984 1.00 0.00 O ATOM 345 CB ALA A 358 23.426 6.296 23.057 1.00 0.00 C ATOM 0 H ALA A 358 24.830 4.935 21.434 1.00 0.00 H new ATOM 0 HA ALA A 358 25.113 7.579 22.663 1.00 0.00 H new ATOM 0 HB1 ALA A 358 23.122 6.831 23.957 1.00 0.00 H new ATOM 0 HB2 ALA A 358 22.858 6.668 22.204 1.00 0.00 H new ATOM 0 HB3 ALA A 358 23.232 5.231 23.186 1.00 0.00 H new ATOM 351 N SER A 359 26.171 4.795 23.981 1.00 0.00 N ATOM 352 CA SER A 359 26.940 4.233 25.086 1.00 0.00 C ATOM 353 C SER A 359 28.417 4.594 24.958 1.00 0.00 C ATOM 354 O SER A 359 29.236 4.195 25.786 1.00 0.00 O ATOM 355 CB SER A 359 26.786 2.711 25.106 1.00 0.00 C ATOM 356 OG SER A 359 26.583 2.278 26.444 1.00 0.00 O ATOM 0 H SER A 359 26.024 4.158 23.198 1.00 0.00 H new ATOM 0 HA SER A 359 26.558 4.652 26.017 1.00 0.00 H new ATOM 0 HB2 SER A 359 25.944 2.411 24.483 1.00 0.00 H new ATOM 0 HB3 SER A 359 27.675 2.238 24.689 1.00 0.00 H new ATOM 0 HG SER A 359 26.482 1.303 26.461 1.00 0.00 H new ATOM 362 N GLY A 360 28.750 5.350 23.917 1.00 0.00 N ATOM 363 CA GLY A 360 30.133 5.756 23.693 1.00 0.00 C ATOM 364 C GLY A 360 30.209 7.210 23.238 1.00 0.00 C ATOM 365 O GLY A 360 30.899 7.533 22.272 1.00 0.00 O ATOM 0 H GLY A 360 28.088 5.692 23.221 1.00 0.00 H new ATOM 0 HA2 GLY A 360 30.707 5.628 24.611 1.00 0.00 H new ATOM 0 HA3 GLY A 360 30.588 5.112 22.941 1.00 0.00 H new ATOM 369 N VAL A 361 29.495 8.082 23.943 1.00 0.00 N ATOM 370 CA VAL A 361 29.490 9.499 23.605 1.00 0.00 C ATOM 371 C VAL A 361 28.837 10.313 24.717 1.00 0.00 C ATOM 372 O VAL A 361 28.630 11.518 24.575 1.00 0.00 O ATOM 373 CB VAL A 361 28.734 9.720 22.294 1.00 0.00 C ATOM 374 CG1 VAL A 361 27.235 9.834 22.580 1.00 0.00 C ATOM 375 CG2 VAL A 361 29.225 11.010 21.634 1.00 0.00 C ATOM 0 H VAL A 361 28.917 7.834 24.746 1.00 0.00 H new ATOM 0 HA VAL A 361 30.522 9.830 23.488 1.00 0.00 H new ATOM 0 HB VAL A 361 28.913 8.877 21.626 1.00 0.00 H new ATOM 0 HG11 VAL A 361 26.697 9.992 21.645 1.00 0.00 H new ATOM 0 HG12 VAL A 361 26.884 8.916 23.051 1.00 0.00 H new ATOM 0 HG13 VAL A 361 27.055 10.676 23.248 1.00 0.00 H new ATOM 0 HG21 VAL A 361 28.687 11.168 20.700 1.00 0.00 H new ATOM 0 HG22 VAL A 361 29.046 11.852 22.303 1.00 0.00 H new ATOM 0 HG23 VAL A 361 30.293 10.930 21.429 1.00 0.00 H new ATOM 385 N VAL A 362 28.515 9.642 25.821 1.00 0.00 N ATOM 386 CA VAL A 362 27.885 10.306 26.958 1.00 0.00 C ATOM 387 C VAL A 362 28.686 10.060 28.231 1.00 0.00 C ATOM 388 O VAL A 362 28.427 10.668 29.268 1.00 0.00 O ATOM 389 CB VAL A 362 26.459 9.785 27.138 1.00 0.00 C ATOM 390 CG1 VAL A 362 26.476 8.515 27.991 1.00 0.00 C ATOM 391 CG2 VAL A 362 25.609 10.852 27.832 1.00 0.00 C ATOM 0 H VAL A 362 28.679 8.644 25.951 1.00 0.00 H new ATOM 0 HA VAL A 362 27.858 11.378 26.763 1.00 0.00 H new ATOM 0 HB VAL A 362 26.034 9.558 26.160 1.00 0.00 H new ATOM 0 HG11 VAL A 362 25.458 8.147 28.117 1.00 0.00 H new ATOM 0 HG12 VAL A 362 27.079 7.753 27.497 1.00 0.00 H new ATOM 0 HG13 VAL A 362 26.904 8.739 28.968 1.00 0.00 H new ATOM 0 HG21 VAL A 362 24.592 10.481 27.960 1.00 0.00 H new ATOM 0 HG22 VAL A 362 26.038 11.081 28.808 1.00 0.00 H new ATOM 0 HG23 VAL A 362 25.591 11.756 27.223 1.00 0.00 H new ATOM 401 N MET A 363 29.659 9.164 28.137 1.00 0.00 N ATOM 402 CA MET A 363 30.502 8.835 29.280 1.00 0.00 C ATOM 403 C MET A 363 30.873 10.091 30.061 1.00 0.00 C ATOM 404 O MET A 363 30.113 10.550 30.913 1.00 0.00 O ATOM 405 CB MET A 363 31.777 8.149 28.798 1.00 0.00 C ATOM 406 CG MET A 363 31.421 6.810 28.152 1.00 0.00 C ATOM 407 SD MET A 363 31.384 5.519 29.419 1.00 0.00 S ATOM 408 CE MET A 363 32.253 4.246 28.472 1.00 0.00 C ATOM 0 H MET A 363 29.884 8.653 27.284 1.00 0.00 H new ATOM 0 HA MET A 363 29.944 8.166 29.935 1.00 0.00 H new ATOM 0 HB2 MET A 363 32.296 8.785 28.081 1.00 0.00 H new ATOM 0 HB3 MET A 363 32.457 7.992 29.635 1.00 0.00 H new ATOM 0 HG2 MET A 363 30.451 6.878 27.659 1.00 0.00 H new ATOM 0 HG3 MET A 363 32.152 6.559 27.383 1.00 0.00 H new ATOM 0 HE1 MET A 363 32.344 3.343 29.075 1.00 0.00 H new ATOM 0 HE2 MET A 363 31.693 4.022 27.564 1.00 0.00 H new ATOM 0 HE3 MET A 363 33.247 4.606 28.205 1.00 0.00 H new ATOM 418 N ARG A 364 32.050 10.635 29.764 1.00 0.00 N ATOM 419 CA ARG A 364 32.521 11.835 30.441 1.00 0.00 C ATOM 420 C ARG A 364 33.006 12.865 29.428 1.00 0.00 C ATOM 421 O ARG A 364 34.128 13.362 29.517 1.00 0.00 O ATOM 422 CB ARG A 364 33.659 11.483 31.399 1.00 0.00 C ATOM 423 CG ARG A 364 33.094 10.742 32.613 1.00 0.00 C ATOM 424 CD ARG A 364 32.920 11.720 33.775 1.00 0.00 C ATOM 425 NE ARG A 364 32.317 12.962 33.304 1.00 0.00 N ATOM 426 CZ ARG A 364 31.639 13.754 34.130 1.00 0.00 C ATOM 427 NH1 ARG A 364 31.509 13.427 35.386 1.00 0.00 N ATOM 428 NH2 ARG A 364 31.103 14.857 33.682 1.00 0.00 N ATOM 0 H ARG A 364 32.691 10.265 29.062 1.00 0.00 H new ATOM 0 HA ARG A 364 31.691 12.260 31.006 1.00 0.00 H new ATOM 0 HB2 ARG A 364 34.397 10.862 30.891 1.00 0.00 H new ATOM 0 HB3 ARG A 364 34.172 12.390 31.720 1.00 0.00 H new ATOM 0 HG2 ARG A 364 32.136 10.287 32.361 1.00 0.00 H new ATOM 0 HG3 ARG A 364 33.765 9.933 32.903 1.00 0.00 H new ATOM 0 HD2 ARG A 364 32.292 11.272 34.546 1.00 0.00 H new ATOM 0 HD3 ARG A 364 33.887 11.928 34.233 1.00 0.00 H new ATOM 0 HE ARG A 364 32.417 13.228 32.324 1.00 0.00 H new ATOM 0 HH11 ARG A 364 31.927 12.564 35.734 1.00 0.00 H new ATOM 0 HH12 ARG A 364 30.989 14.034 36.020 1.00 0.00 H new ATOM 0 HH21 ARG A 364 31.204 15.111 32.699 1.00 0.00 H new ATOM 0 HH22 ARG A 364 30.583 15.465 34.315 1.00 0.00 H new ATOM 442 N PRO A 365 32.178 13.189 28.472 1.00 0.00 N ATOM 443 CA PRO A 365 32.515 14.184 27.410 1.00 0.00 C ATOM 444 C PRO A 365 32.731 15.582 27.980 1.00 0.00 C ATOM 445 O PRO A 365 33.680 16.275 27.610 1.00 0.00 O ATOM 446 CB PRO A 365 31.296 14.158 26.482 1.00 0.00 C ATOM 447 CG PRO A 365 30.183 13.599 27.305 1.00 0.00 C ATOM 448 CD PRO A 365 30.826 12.642 28.300 1.00 0.00 C ATOM 0 HA PRO A 365 33.447 13.936 26.902 1.00 0.00 H new ATOM 0 HB2 PRO A 365 31.055 15.158 26.122 1.00 0.00 H new ATOM 0 HB3 PRO A 365 31.484 13.540 25.604 1.00 0.00 H new ATOM 0 HG2 PRO A 365 29.645 14.393 27.822 1.00 0.00 H new ATOM 0 HG3 PRO A 365 29.459 13.079 26.678 1.00 0.00 H new ATOM 0 HD2 PRO A 365 30.280 12.616 29.243 1.00 0.00 H new ATOM 0 HD3 PRO A 365 30.851 11.622 27.918 1.00 0.00 H new ATOM 456 N LYS A 366 31.843 15.991 28.880 1.00 0.00 N ATOM 457 CA LYS A 366 31.943 17.311 29.493 1.00 0.00 C ATOM 458 C LYS A 366 31.928 18.399 28.425 1.00 0.00 C ATOM 459 O LYS A 366 32.083 19.582 28.729 1.00 0.00 O ATOM 460 CB LYS A 366 33.234 17.413 30.309 1.00 0.00 C ATOM 461 CG LYS A 366 33.323 16.230 31.276 1.00 0.00 C ATOM 462 CD LYS A 366 34.453 16.474 32.277 1.00 0.00 C ATOM 463 CE LYS A 366 35.243 15.180 32.483 1.00 0.00 C ATOM 464 NZ LYS A 366 36.328 15.413 33.478 1.00 0.00 N ATOM 0 H LYS A 366 31.052 15.433 29.199 1.00 0.00 H new ATOM 0 HA LYS A 366 31.086 17.451 30.151 1.00 0.00 H new ATOM 0 HB2 LYS A 366 34.097 17.418 29.644 1.00 0.00 H new ATOM 0 HB3 LYS A 366 33.253 18.351 30.863 1.00 0.00 H new ATOM 0 HG2 LYS A 366 32.377 16.105 31.803 1.00 0.00 H new ATOM 0 HG3 LYS A 366 33.505 15.308 30.724 1.00 0.00 H new ATOM 0 HD2 LYS A 366 35.113 17.261 31.911 1.00 0.00 H new ATOM 0 HD3 LYS A 366 34.043 16.817 33.227 1.00 0.00 H new ATOM 0 HE2 LYS A 366 34.580 14.388 32.831 1.00 0.00 H new ATOM 0 HE3 LYS A 366 35.668 14.847 31.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 36.865 14.534 33.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 36.966 16.156 33.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 35.911 15.712 34.383 1.00 0.00 H new ATOM 478 N LYS A 367 31.740 17.992 27.175 1.00 0.00 N ATOM 479 CA LYS A 367 31.707 18.941 26.068 1.00 0.00 C ATOM 480 C LYS A 367 30.660 20.023 26.321 1.00 0.00 C ATOM 481 O LYS A 367 31.001 21.190 26.505 1.00 0.00 O ATOM 482 CB LYS A 367 31.383 18.211 24.763 1.00 0.00 C ATOM 483 CG LYS A 367 32.683 17.750 24.100 1.00 0.00 C ATOM 484 CD LYS A 367 32.368 16.698 23.035 1.00 0.00 C ATOM 485 CE LYS A 367 33.547 16.583 22.066 1.00 0.00 C ATOM 486 NZ LYS A 367 33.261 15.521 21.060 1.00 0.00 N ATOM 0 H LYS A 367 31.609 17.018 26.903 1.00 0.00 H new ATOM 0 HA LYS A 367 32.687 19.411 25.988 1.00 0.00 H new ATOM 0 HB2 LYS A 367 30.740 17.354 24.963 1.00 0.00 H new ATOM 0 HB3 LYS A 367 30.834 18.871 24.091 1.00 0.00 H new ATOM 0 HG2 LYS A 367 33.194 18.600 23.647 1.00 0.00 H new ATOM 0 HG3 LYS A 367 33.358 17.334 24.848 1.00 0.00 H new ATOM 0 HD2 LYS A 367 32.176 15.734 23.506 1.00 0.00 H new ATOM 0 HD3 LYS A 367 31.464 16.974 22.493 1.00 0.00 H new ATOM 0 HE2 LYS A 367 33.715 17.537 21.566 1.00 0.00 H new ATOM 0 HE3 LYS A 367 34.459 16.345 22.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 34.062 15.442 20.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 33.121 14.612 21.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 32.400 15.767 20.531 1.00 0.00 H new HETATM 500 N NH2 A 368 29.396 19.699 26.342 1.00 0.00 N TER 503 NH2 A 368