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=-0.00239 (180deg=-0.267) USER MOD Single : A 338 SER OG : rot 68:sc= 0.0536 USER MOD Single : A 339 TYR OH : rot 165:sc= -5.58! USER MOD Single : A 340 MET CE :methyl 150:sc= -0.937 (180deg=-3.62!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -35:sc= 0.403 USER MOD Single : A 349 HIS : no HE2:sc= -2.29 K(o=-2.3,f=-3.4!) 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+ -134:sc= 0 (180deg=-0.0772) USER MOD Single : A 367 LYS NZ :NH3+ -161:sc= -0.0134 (180deg=-0.21) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 336 37.712 9.283 -6.658 1.00 0.00 C HETATM 2 O ACE A 336 38.659 8.847 -6.004 1.00 0.00 O HETATM 3 CH3 ACE A 336 37.889 9.670 -8.124 1.00 0.00 C HETATM 0 H1 ACE A 336 37.223 9.068 -8.742 1.00 0.00 H new HETATM 0 H2 ACE A 336 37.649 10.725 -8.253 1.00 0.00 H new HETATM 0 H3 ACE A 336 38.922 9.494 -8.425 1.00 0.00 H new ATOM 7 N LYS A 337 36.496 9.451 -6.149 1.00 0.00 N ATOM 8 CA LYS A 337 36.209 9.120 -4.757 1.00 0.00 C ATOM 9 C LYS A 337 34.710 9.195 -4.470 1.00 0.00 C ATOM 10 O LYS A 337 34.299 9.372 -3.323 1.00 0.00 O ATOM 11 CB LYS A 337 36.972 10.073 -3.823 1.00 0.00 C ATOM 12 CG LYS A 337 36.338 11.473 -3.832 1.00 0.00 C ATOM 13 CD LYS A 337 36.170 11.970 -5.271 1.00 0.00 C ATOM 14 CE LYS A 337 35.938 13.483 -5.261 1.00 0.00 C ATOM 15 NZ LYS A 337 34.735 13.795 -4.439 1.00 0.00 N ATOM 0 H LYS A 337 35.699 9.811 -6.674 1.00 0.00 H new ATOM 0 HA LYS A 337 36.538 8.097 -4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 337 36.969 9.674 -2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.014 10.139 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.369 11.444 -3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 337 36.964 12.167 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 337 37.058 11.731 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.329 11.465 -5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 337 36.812 13.993 -4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.801 13.847 -6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 34.416 14.763 -4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 33.974 13.124 -4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 34.974 13.716 -3.430 1.00 0.00 H new ATOM 29 N SER A 338 33.897 9.056 -5.519 1.00 0.00 N ATOM 30 CA SER A 338 32.445 9.113 -5.365 1.00 0.00 C ATOM 31 C SER A 338 31.801 7.773 -5.716 1.00 0.00 C ATOM 32 O SER A 338 30.993 7.689 -6.642 1.00 0.00 O ATOM 33 CB SER A 338 31.873 10.204 -6.272 1.00 0.00 C ATOM 34 OG SER A 338 32.381 10.036 -7.588 1.00 0.00 O ATOM 0 H SER A 338 34.217 8.905 -6.476 1.00 0.00 H new ATOM 0 HA SER A 338 32.222 9.341 -4.323 1.00 0.00 H new ATOM 0 HB2 SER A 338 30.784 10.152 -6.281 1.00 0.00 H new ATOM 0 HB3 SER A 338 32.142 11.189 -5.889 1.00 0.00 H new ATOM 0 HG SER A 338 32.023 9.210 -7.974 1.00 0.00 H new ATOM 40 N TYR A 339 32.154 6.733 -4.966 1.00 0.00 N ATOM 41 CA TYR A 339 31.591 5.408 -5.205 1.00 0.00 C ATOM 42 C TYR A 339 32.195 4.380 -4.238 1.00 0.00 C ATOM 43 O TYR A 339 31.900 4.404 -3.045 1.00 0.00 O ATOM 44 CB TYR A 339 31.810 4.995 -6.672 1.00 0.00 C ATOM 45 CG TYR A 339 33.046 5.671 -7.227 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.180 5.852 -6.427 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.045 6.123 -8.553 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.313 6.486 -6.953 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.177 6.756 -9.078 1.00 0.00 C ATOM 50 CZ TYR A 339 35.311 6.938 -8.277 1.00 0.00 C ATOM 51 OH TYR A 339 36.429 7.561 -8.795 1.00 0.00 O ATOM 0 H TYR A 339 32.820 6.780 -4.195 1.00 0.00 H new ATOM 0 HA TYR A 339 30.517 5.443 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.917 3.912 -6.740 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.939 5.268 -7.268 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.182 5.503 -5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.170 5.983 -9.170 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.188 6.626 -6.336 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.176 7.104 -10.100 1.00 0.00 H new ATOM 0 HH TYR A 339 36.361 7.597 -9.772 1.00 0.00 H new ATOM 61 N MET A 340 33.041 3.485 -4.748 1.00 0.00 N ATOM 62 CA MET A 340 33.665 2.469 -3.907 1.00 0.00 C ATOM 63 C MET A 340 34.514 3.120 -2.824 1.00 0.00 C ATOM 64 O MET A 340 35.079 2.440 -1.968 1.00 0.00 O ATOM 65 CB MET A 340 34.541 1.552 -4.761 1.00 0.00 C ATOM 66 CG MET A 340 35.770 2.326 -5.243 1.00 0.00 C ATOM 67 SD MET A 340 36.161 1.841 -6.943 1.00 0.00 S ATOM 68 CE MET A 340 36.438 3.506 -7.597 1.00 0.00 C ATOM 0 H MET A 340 33.307 3.444 -5.732 1.00 0.00 H new ATOM 0 HA MET A 340 32.878 1.882 -3.433 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.850 0.682 -4.181 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.974 1.181 -5.615 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.580 3.398 -5.194 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.620 2.123 -4.591 1.00 0.00 H new ATOM 0 HE1 MET A 340 37.167 3.463 -8.406 1.00 0.00 H new ATOM 0 HE2 MET A 340 35.499 3.909 -7.977 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.815 4.151 -6.803 1.00 0.00 H new ATOM 78 N ALA A 341 34.604 4.441 -2.876 1.00 0.00 N ATOM 79 CA ALA A 341 35.393 5.184 -1.904 1.00 0.00 C ATOM 80 C ALA A 341 34.529 5.665 -0.743 1.00 0.00 C ATOM 81 O ALA A 341 34.989 5.739 0.396 1.00 0.00 O ATOM 82 CB ALA A 341 36.030 6.393 -2.584 1.00 0.00 C ATOM 0 H ALA A 341 34.142 5.019 -3.578 1.00 0.00 H new ATOM 0 HA ALA A 341 36.163 4.519 -1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.621 6.950 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.676 6.056 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.249 7.038 -2.987 1.00 0.00 H new ATOM 88 N TYR A 342 33.283 6.010 -1.043 1.00 0.00 N ATOM 89 CA TYR A 342 32.376 6.509 -0.019 1.00 0.00 C ATOM 90 C TYR A 342 31.502 5.394 0.555 1.00 0.00 C ATOM 91 O TYR A 342 31.372 5.271 1.774 1.00 0.00 O ATOM 92 CB TYR A 342 31.500 7.614 -0.610 1.00 0.00 C ATOM 93 CG TYR A 342 30.162 7.043 -1.000 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.143 6.920 -0.047 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.941 6.628 -2.319 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.903 6.384 -0.414 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.700 6.092 -2.686 1.00 0.00 C ATOM 98 CZ TYR A 342 27.682 5.970 -1.734 1.00 0.00 C ATOM 99 OH TYR A 342 26.459 5.441 -2.095 1.00 0.00 O ATOM 0 H TYR A 342 32.881 5.954 -1.979 1.00 0.00 H new ATOM 0 HA TYR A 342 32.974 6.909 0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.367 8.415 0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.988 8.052 -1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.314 7.239 0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.727 6.721 -3.053 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.117 6.290 0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.529 5.773 -3.704 1.00 0.00 H new ATOM 0 HH TYR A 342 26.472 5.206 -3.046 1.00 0.00 H new ATOM 109 N LEU A 343 30.894 4.586 -0.314 1.00 0.00 N ATOM 110 CA LEU A 343 30.034 3.506 0.161 1.00 0.00 C ATOM 111 C LEU A 343 30.846 2.482 0.945 1.00 0.00 C ATOM 112 O LEU A 343 30.290 1.666 1.680 1.00 0.00 O ATOM 113 CB LEU A 343 29.310 2.824 -1.008 1.00 0.00 C ATOM 114 CG LEU A 343 30.319 2.125 -1.927 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.340 0.621 -1.629 1.00 0.00 C ATOM 116 CD2 LEU A 343 29.908 2.335 -3.388 1.00 0.00 C ATOM 0 H LEU A 343 30.979 4.656 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 343 29.284 3.940 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.593 2.098 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 343 28.744 3.563 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 343 31.309 2.546 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 343 31.059 0.130 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.628 0.460 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.348 0.202 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.624 1.839 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.916 1.914 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 343 29.891 3.402 -3.611 1.00 0.00 H new ATOM 128 N SER A 344 32.164 2.539 0.792 1.00 0.00 N ATOM 129 CA SER A 344 33.044 1.620 1.501 1.00 0.00 C ATOM 130 C SER A 344 33.450 2.217 2.844 1.00 0.00 C ATOM 131 O SER A 344 34.229 1.624 3.590 1.00 0.00 O ATOM 132 CB SER A 344 34.292 1.338 0.665 1.00 0.00 C ATOM 133 OG SER A 344 35.007 0.251 1.239 1.00 0.00 O ATOM 0 H SER A 344 32.643 3.207 0.188 1.00 0.00 H new ATOM 0 HA SER A 344 32.510 0.685 1.672 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.010 1.102 -0.361 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.925 2.224 0.626 1.00 0.00 H new ATOM 0 HG SER A 344 34.930 0.288 2.215 1.00 0.00 H new ATOM 139 N ALA A 345 32.917 3.402 3.135 1.00 0.00 N ATOM 140 CA ALA A 345 33.223 4.092 4.383 1.00 0.00 C ATOM 141 C ALA A 345 31.953 4.328 5.196 1.00 0.00 C ATOM 142 O ALA A 345 31.960 5.084 6.167 1.00 0.00 O ATOM 143 CB ALA A 345 33.884 5.437 4.078 1.00 0.00 C ATOM 0 H ALA A 345 32.272 3.903 2.523 1.00 0.00 H new ATOM 0 HA ALA A 345 33.901 3.468 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.112 5.951 5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.806 5.271 3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.206 6.049 3.483 1.00 0.00 H new ATOM 149 N GLU A 346 30.866 3.680 4.794 1.00 0.00 N ATOM 150 CA GLU A 346 29.596 3.835 5.495 1.00 0.00 C ATOM 151 C GLU A 346 28.808 2.529 5.482 1.00 0.00 C ATOM 152 O GLU A 346 27.678 2.480 4.996 1.00 0.00 O ATOM 153 CB GLU A 346 28.769 4.933 4.830 1.00 0.00 C ATOM 154 CG GLU A 346 28.646 4.637 3.335 1.00 0.00 C ATOM 155 CD GLU A 346 27.185 4.717 2.908 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.738 5.809 2.596 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.533 3.686 2.900 1.00 0.00 O ATOM 0 H GLU A 346 30.837 3.048 3.994 1.00 0.00 H new ATOM 0 HA GLU A 346 29.806 4.107 6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.780 4.985 5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.242 5.903 4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.240 5.351 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.043 3.646 3.118 1.00 0.00 H new ATOM 164 N LEU A 347 29.412 1.476 6.019 1.00 0.00 N ATOM 165 CA LEU A 347 28.759 0.172 6.065 1.00 0.00 C ATOM 166 C LEU A 347 28.948 -0.468 7.435 1.00 0.00 C ATOM 167 O LEU A 347 28.508 -1.593 7.674 1.00 0.00 O ATOM 168 CB LEU A 347 29.344 -0.741 4.987 1.00 0.00 C ATOM 169 CG LEU A 347 30.860 -0.826 5.163 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.259 -2.270 5.469 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.548 -0.371 3.874 1.00 0.00 C ATOM 0 H LEU A 347 30.347 1.498 6.426 1.00 0.00 H new ATOM 0 HA LEU A 347 27.693 0.310 5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 347 28.902 -1.735 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.103 -0.354 3.997 1.00 0.00 H new ATOM 0 HG LEU A 347 31.166 -0.182 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.340 -2.330 5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 347 30.769 -2.596 6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 347 30.953 -2.914 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.629 -0.431 3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.241 -1.016 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.265 0.658 3.654 1.00 0.00 H new ATOM 183 N PHE A 348 29.609 0.256 8.331 1.00 0.00 N ATOM 184 CA PHE A 348 29.857 -0.247 9.676 1.00 0.00 C ATOM 185 C PHE A 348 29.699 0.870 10.703 1.00 0.00 C ATOM 186 O PHE A 348 29.813 0.642 11.907 1.00 0.00 O ATOM 187 CB PHE A 348 31.273 -0.822 9.760 1.00 0.00 C ATOM 188 CG PHE A 348 32.137 -0.197 8.686 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.138 1.191 8.505 1.00 0.00 C ATOM 190 CD2 PHE A 348 32.939 -1.008 7.875 1.00 0.00 C ATOM 191 CE1 PHE A 348 32.939 1.768 7.513 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.740 -0.431 6.881 1.00 0.00 C ATOM 193 CZ PHE A 348 33.739 0.957 6.700 1.00 0.00 C ATOM 0 H PHE A 348 29.981 1.189 8.151 1.00 0.00 H new ATOM 0 HA PHE A 348 29.130 -1.030 9.893 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.699 -0.626 10.744 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.245 -1.904 9.635 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.520 1.817 9.131 1.00 0.00 H new ATOM 0 HD2 PHE A 348 32.940 -2.079 8.015 1.00 0.00 H new ATOM 0 HE1 PHE A 348 32.940 2.839 7.375 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.358 -1.057 6.255 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.356 1.402 5.933 1.00 0.00 H new ATOM 203 N HIS A 349 29.451 2.082 10.214 1.00 0.00 N ATOM 204 CA HIS A 349 29.295 3.232 11.092 1.00 0.00 C ATOM 205 C HIS A 349 28.043 3.091 11.955 1.00 0.00 C ATOM 206 O HIS A 349 27.660 4.023 12.662 1.00 0.00 O ATOM 207 CB HIS A 349 29.220 4.521 10.268 1.00 0.00 C ATOM 208 CG HIS A 349 27.902 4.595 9.549 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.879 5.432 9.967 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.426 3.951 8.434 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.849 5.271 9.116 1.00 0.00 C ATOM 212 NE2 HIS A 349 26.131 4.380 8.162 1.00 0.00 N ATOM 0 H HIS A 349 29.355 2.290 9.220 1.00 0.00 H new ATOM 0 HA HIS A 349 30.163 3.279 11.749 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.337 5.387 10.920 1.00 0.00 H new ATOM 0 HB3 HIS A 349 30.038 4.551 9.549 1.00 0.00 H new ATOM 0 HD1 HIS A 349 26.903 6.056 10.773 1.00 0.00 H new ATOM 0 HD2 HIS A 349 27.974 3.222 7.856 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.909 5.798 9.195 1.00 0.00 H new ATOM 220 N LEU A 350 27.410 1.919 11.891 1.00 0.00 N ATOM 221 CA LEU A 350 26.204 1.664 12.667 1.00 0.00 C ATOM 222 C LEU A 350 26.311 0.327 13.398 1.00 0.00 C ATOM 223 O LEU A 350 26.319 0.284 14.618 1.00 0.00 O ATOM 224 CB LEU A 350 24.961 1.644 11.763 1.00 0.00 C ATOM 225 CG LEU A 350 25.301 2.149 10.355 1.00 0.00 C ATOM 226 CD1 LEU A 350 26.018 1.046 9.571 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.006 2.520 9.629 1.00 0.00 C ATOM 0 H LEU A 350 27.714 1.137 11.311 1.00 0.00 H new ATOM 0 HA LEU A 350 26.103 2.470 13.393 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.565 0.630 11.704 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.180 2.267 12.198 1.00 0.00 H new ATOM 0 HG LEU A 350 25.950 3.022 10.429 1.00 0.00 H new ATOM 0 HD11 LEU A 350 26.258 1.408 8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 350 26.937 0.771 10.088 1.00 0.00 H new ATOM 0 HD13 LEU A 350 25.369 0.173 9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.241 2.880 8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.364 1.642 9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 350 23.489 3.303 10.184 1.00 0.00 H new ATOM 239 N SER A 351 26.374 -0.764 12.646 1.00 0.00 N ATOM 240 CA SER A 351 26.457 -2.091 13.253 1.00 0.00 C ATOM 241 C SER A 351 27.634 -2.201 14.222 1.00 0.00 C ATOM 242 O SER A 351 28.676 -2.764 13.884 1.00 0.00 O ATOM 243 CB SER A 351 26.595 -3.152 12.162 1.00 0.00 C ATOM 244 OG SER A 351 25.322 -3.393 11.578 1.00 0.00 O ATOM 0 H SER A 351 26.370 -0.760 11.626 1.00 0.00 H new ATOM 0 HA SER A 351 25.539 -2.253 13.819 1.00 0.00 H new ATOM 0 HB2 SER A 351 27.300 -2.818 11.401 1.00 0.00 H new ATOM 0 HB3 SER A 351 26.995 -4.074 12.584 1.00 0.00 H new ATOM 0 HG SER A 351 25.407 -4.072 10.876 1.00 0.00 H new ATOM 250 N GLY A 352 27.463 -1.664 15.430 1.00 0.00 N ATOM 251 CA GLY A 352 28.517 -1.711 16.435 1.00 0.00 C ATOM 252 C GLY A 352 28.596 -0.371 17.134 1.00 0.00 C ATOM 253 O GLY A 352 28.731 -0.287 18.354 1.00 0.00 O ATOM 0 H GLY A 352 26.609 -1.195 15.732 1.00 0.00 H new ATOM 0 HA2 GLY A 352 28.312 -2.501 17.158 1.00 0.00 H new ATOM 0 HA3 GLY A 352 29.472 -1.948 15.967 1.00 0.00 H new ATOM 257 N ILE A 353 28.482 0.674 16.334 1.00 0.00 N ATOM 258 CA ILE A 353 28.508 2.030 16.841 1.00 0.00 C ATOM 259 C ILE A 353 27.077 2.509 17.067 1.00 0.00 C ATOM 260 O ILE A 353 26.840 3.515 17.732 1.00 0.00 O ATOM 261 CB ILE A 353 29.198 2.932 15.822 1.00 0.00 C ATOM 262 CG1 ILE A 353 30.700 2.637 15.825 1.00 0.00 C ATOM 263 CG2 ILE A 353 28.963 4.398 16.188 1.00 0.00 C ATOM 264 CD1 ILE A 353 31.212 2.562 14.386 1.00 0.00 C ATOM 0 H ILE A 353 28.370 0.606 15.323 1.00 0.00 H new ATOM 0 HA ILE A 353 29.054 2.064 17.784 1.00 0.00 H new ATOM 0 HB ILE A 353 28.788 2.741 14.830 1.00 0.00 H new ATOM 0 HG12 ILE A 353 31.233 3.416 16.371 1.00 0.00 H new ATOM 0 HG13 ILE A 353 30.895 1.696 16.340 1.00 0.00 H new ATOM 0 HG21 ILE A 353 29.457 5.039 15.458 1.00 0.00 H new ATOM 0 HG22 ILE A 353 27.893 4.606 16.188 1.00 0.00 H new ATOM 0 HG23 ILE A 353 29.371 4.595 17.179 1.00 0.00 H new ATOM 0 HD11 ILE A 353 32.282 2.352 14.391 1.00 0.00 H new ATOM 0 HD12 ILE A 353 30.688 1.767 13.854 1.00 0.00 H new ATOM 0 HD13 ILE A 353 31.031 3.513 13.886 1.00 0.00 H new ATOM 276 N MET A 354 26.135 1.764 16.490 1.00 0.00 N ATOM 277 CA MET A 354 24.715 2.086 16.586 1.00 0.00 C ATOM 278 C MET A 354 24.163 1.775 17.974 1.00 0.00 C ATOM 279 O MET A 354 23.318 2.502 18.496 1.00 0.00 O ATOM 280 CB MET A 354 23.922 1.284 15.551 1.00 0.00 C ATOM 281 CG MET A 354 24.062 -0.212 15.841 1.00 0.00 C ATOM 282 SD MET A 354 22.629 -0.778 16.791 1.00 0.00 S ATOM 283 CE MET A 354 21.990 -1.945 15.565 1.00 0.00 C ATOM 0 H MET A 354 26.335 0.925 15.946 1.00 0.00 H new ATOM 0 HA MET A 354 24.610 3.154 16.397 1.00 0.00 H new ATOM 0 HB2 MET A 354 22.871 1.573 15.580 1.00 0.00 H new ATOM 0 HB3 MET A 354 24.286 1.506 14.548 1.00 0.00 H new ATOM 0 HG2 MET A 354 24.136 -0.769 14.907 1.00 0.00 H new ATOM 0 HG3 MET A 354 24.979 -0.401 16.399 1.00 0.00 H new ATOM 0 HE1 MET A 354 21.088 -2.420 15.950 1.00 0.00 H new ATOM 0 HE2 MET A 354 21.755 -1.412 14.644 1.00 0.00 H new ATOM 0 HE3 MET A 354 22.742 -2.707 15.362 1.00 0.00 H new ATOM 293 N ALA A 355 24.640 0.683 18.558 1.00 0.00 N ATOM 294 CA ALA A 355 24.185 0.268 19.876 1.00 0.00 C ATOM 295 C ALA A 355 24.710 1.223 20.932 1.00 0.00 C ATOM 296 O ALA A 355 24.388 1.101 22.114 1.00 0.00 O ATOM 297 CB ALA A 355 24.679 -1.148 20.170 1.00 0.00 C ATOM 0 H ALA A 355 25.340 0.071 18.140 1.00 0.00 H new ATOM 0 HA ALA A 355 23.095 0.281 19.896 1.00 0.00 H new ATOM 0 HB1 ALA A 355 24.336 -1.455 21.158 1.00 0.00 H new ATOM 0 HB2 ALA A 355 24.285 -1.834 19.420 1.00 0.00 H new ATOM 0 HB3 ALA A 355 25.768 -1.166 20.142 1.00 0.00 H new ATOM 303 N LEU A 356 25.521 2.174 20.489 1.00 0.00 N ATOM 304 CA LEU A 356 26.098 3.159 21.387 1.00 0.00 C ATOM 305 C LEU A 356 25.806 4.557 20.869 1.00 0.00 C ATOM 306 O LEU A 356 25.899 5.527 21.617 1.00 0.00 O ATOM 307 CB LEU A 356 27.613 2.964 21.499 1.00 0.00 C ATOM 308 CG LEU A 356 28.073 1.866 20.539 1.00 0.00 C ATOM 309 CD1 LEU A 356 29.599 1.882 20.444 1.00 0.00 C ATOM 310 CD2 LEU A 356 27.612 0.495 21.048 1.00 0.00 C ATOM 0 H LEU A 356 25.793 2.282 19.512 1.00 0.00 H new ATOM 0 HA LEU A 356 25.653 3.031 22.374 1.00 0.00 H new ATOM 0 HB2 LEU A 356 28.126 3.898 21.269 1.00 0.00 H new ATOM 0 HB3 LEU A 356 27.879 2.698 22.522 1.00 0.00 H new ATOM 0 HG LEU A 356 27.639 2.047 19.556 1.00 0.00 H new ATOM 0 HD11 LEU A 356 29.929 1.100 19.760 1.00 0.00 H new ATOM 0 HD12 LEU A 356 29.930 2.852 20.073 1.00 0.00 H new ATOM 0 HD13 LEU A 356 30.027 1.705 21.431 1.00 0.00 H new ATOM 0 HD21 LEU A 356 27.944 -0.280 20.357 1.00 0.00 H new ATOM 0 HD22 LEU A 356 28.039 0.310 22.034 1.00 0.00 H new ATOM 0 HD23 LEU A 356 26.524 0.479 21.115 1.00 0.00 H new ATOM 322 N ILE A 357 25.459 4.649 19.581 1.00 0.00 N ATOM 323 CA ILE A 357 25.155 5.945 18.971 1.00 0.00 C ATOM 324 C ILE A 357 24.472 6.858 19.985 1.00 0.00 C ATOM 325 O ILE A 357 24.769 8.051 20.064 1.00 0.00 O ATOM 326 CB ILE A 357 24.242 5.746 17.735 1.00 0.00 C ATOM 327 CG1 ILE A 357 25.056 5.853 16.433 1.00 0.00 C ATOM 328 CG2 ILE A 357 23.108 6.786 17.701 1.00 0.00 C ATOM 329 CD1 ILE A 357 25.737 7.220 16.322 1.00 0.00 C ATOM 0 H ILE A 357 25.383 3.852 18.949 1.00 0.00 H new ATOM 0 HA ILE A 357 26.087 6.412 18.652 1.00 0.00 H new ATOM 0 HB ILE A 357 23.807 4.750 17.815 1.00 0.00 H new ATOM 0 HG12 ILE A 357 25.808 5.065 16.404 1.00 0.00 H new ATOM 0 HG13 ILE A 357 24.400 5.699 15.576 1.00 0.00 H new ATOM 0 HG21 ILE A 357 22.486 6.618 16.822 1.00 0.00 H new ATOM 0 HG22 ILE A 357 22.499 6.690 18.600 1.00 0.00 H new ATOM 0 HG23 ILE A 357 23.535 7.788 17.658 1.00 0.00 H new ATOM 0 HD11 ILE A 357 26.305 7.269 15.393 1.00 0.00 H new ATOM 0 HD12 ILE A 357 24.981 8.005 16.326 1.00 0.00 H new ATOM 0 HD13 ILE A 357 26.411 7.361 17.167 1.00 0.00 H new ATOM 341 N ALA A 358 23.551 6.288 20.752 1.00 0.00 N ATOM 342 CA ALA A 358 22.823 7.058 21.755 1.00 0.00 C ATOM 343 C ALA A 358 23.499 6.956 23.121 1.00 0.00 C ATOM 344 O ALA A 358 23.358 7.845 23.960 1.00 0.00 O ATOM 345 CB ALA A 358 21.384 6.548 21.856 1.00 0.00 C ATOM 0 H ALA A 358 23.291 5.303 20.701 1.00 0.00 H new ATOM 0 HA ALA A 358 22.822 8.104 21.447 1.00 0.00 H new ATOM 0 HB1 ALA A 358 20.845 7.126 22.606 1.00 0.00 H new ATOM 0 HB2 ALA A 358 20.891 6.657 20.890 1.00 0.00 H new ATOM 0 HB3 ALA A 358 21.390 5.497 22.144 1.00 0.00 H new ATOM 351 N SER A 359 24.229 5.867 23.337 1.00 0.00 N ATOM 352 CA SER A 359 24.917 5.660 24.608 1.00 0.00 C ATOM 353 C SER A 359 26.324 6.250 24.568 1.00 0.00 C ATOM 354 O SER A 359 27.082 6.132 25.530 1.00 0.00 O ATOM 355 CB SER A 359 24.997 4.166 24.919 1.00 0.00 C ATOM 356 OG SER A 359 24.673 3.953 26.287 1.00 0.00 O ATOM 0 H SER A 359 24.360 5.119 22.656 1.00 0.00 H new ATOM 0 HA SER A 359 24.350 6.166 25.389 1.00 0.00 H new ATOM 0 HB2 SER A 359 24.309 3.612 24.280 1.00 0.00 H new ATOM 0 HB3 SER A 359 25.999 3.792 24.708 1.00 0.00 H new ATOM 0 HG SER A 359 24.722 2.995 26.489 1.00 0.00 H new ATOM 362 N GLY A 360 26.666 6.882 23.449 1.00 0.00 N ATOM 363 CA GLY A 360 27.986 7.483 23.290 1.00 0.00 C ATOM 364 C GLY A 360 27.876 8.911 22.767 1.00 0.00 C ATOM 365 O GLY A 360 28.656 9.330 21.912 1.00 0.00 O ATOM 0 H GLY A 360 26.051 6.991 22.643 1.00 0.00 H new ATOM 0 HA2 GLY A 360 28.508 7.481 24.247 1.00 0.00 H new ATOM 0 HA3 GLY A 360 28.582 6.884 22.601 1.00 0.00 H new ATOM 369 N VAL A 361 26.905 9.653 23.286 1.00 0.00 N ATOM 370 CA VAL A 361 26.705 11.032 22.866 1.00 0.00 C ATOM 371 C VAL A 361 25.702 11.729 23.780 1.00 0.00 C ATOM 372 O VAL A 361 25.891 12.888 24.149 1.00 0.00 O ATOM 373 CB VAL A 361 26.203 11.070 21.421 1.00 0.00 C ATOM 374 CG1 VAL A 361 24.730 10.657 21.374 1.00 0.00 C ATOM 375 CG2 VAL A 361 26.350 12.490 20.869 1.00 0.00 C ATOM 0 H VAL A 361 26.248 9.324 23.994 1.00 0.00 H new ATOM 0 HA VAL A 361 27.659 11.556 22.930 1.00 0.00 H new ATOM 0 HB VAL A 361 26.791 10.379 20.817 1.00 0.00 H new ATOM 0 HG11 VAL A 361 24.377 10.686 20.343 1.00 0.00 H new ATOM 0 HG12 VAL A 361 24.623 9.646 21.766 1.00 0.00 H new ATOM 0 HG13 VAL A 361 24.140 11.345 21.979 1.00 0.00 H new ATOM 0 HG21 VAL A 361 25.993 12.519 19.840 1.00 0.00 H new ATOM 0 HG22 VAL A 361 25.763 13.179 21.476 1.00 0.00 H new ATOM 0 HG23 VAL A 361 27.399 12.785 20.897 1.00 0.00 H new ATOM 385 N VAL A 362 24.643 11.011 24.144 1.00 0.00 N ATOM 386 CA VAL A 362 23.614 11.563 25.020 1.00 0.00 C ATOM 387 C VAL A 362 23.044 12.854 24.438 1.00 0.00 C ATOM 388 O VAL A 362 23.690 13.526 23.634 1.00 0.00 O ATOM 389 CB VAL A 362 24.203 11.833 26.408 1.00 0.00 C ATOM 390 CG1 VAL A 362 23.247 12.715 27.213 1.00 0.00 C ATOM 391 CG2 VAL A 362 24.402 10.503 27.139 1.00 0.00 C ATOM 0 H VAL A 362 24.475 10.050 23.847 1.00 0.00 H new ATOM 0 HA VAL A 362 22.806 10.836 25.105 1.00 0.00 H new ATOM 0 HB VAL A 362 25.160 12.343 26.302 1.00 0.00 H new ATOM 0 HG11 VAL A 362 23.670 12.904 28.199 1.00 0.00 H new ATOM 0 HG12 VAL A 362 23.101 13.662 26.693 1.00 0.00 H new ATOM 0 HG13 VAL A 362 22.288 12.208 27.321 1.00 0.00 H new ATOM 0 HG21 VAL A 362 24.821 10.690 28.128 1.00 0.00 H new ATOM 0 HG22 VAL A 362 23.442 9.997 27.242 1.00 0.00 H new ATOM 0 HG23 VAL A 362 25.085 9.873 26.569 1.00 0.00 H new ATOM 401 N MET A 363 21.826 13.195 24.847 1.00 0.00 N ATOM 402 CA MET A 363 21.178 14.406 24.357 1.00 0.00 C ATOM 403 C MET A 363 20.384 15.078 25.472 1.00 0.00 C ATOM 404 O MET A 363 20.903 15.308 26.565 1.00 0.00 O ATOM 405 CB MET A 363 20.242 14.066 23.197 1.00 0.00 C ATOM 406 CG MET A 363 20.945 13.103 22.239 1.00 0.00 C ATOM 407 SD MET A 363 20.005 12.992 20.697 1.00 0.00 S ATOM 408 CE MET A 363 21.421 12.872 19.577 1.00 0.00 C ATOM 0 H MET A 363 21.272 12.655 25.511 1.00 0.00 H new ATOM 0 HA MET A 363 21.950 15.093 24.011 1.00 0.00 H new ATOM 0 HB2 MET A 363 19.325 13.614 23.576 1.00 0.00 H new ATOM 0 HB3 MET A 363 19.955 14.975 22.669 1.00 0.00 H new ATOM 0 HG2 MET A 363 21.958 13.450 22.036 1.00 0.00 H new ATOM 0 HG3 MET A 363 21.032 12.117 22.696 1.00 0.00 H new ATOM 0 HE1 MET A 363 21.066 12.793 18.549 1.00 0.00 H new ATOM 0 HE2 MET A 363 22.042 13.762 19.679 1.00 0.00 H new ATOM 0 HE3 MET A 363 22.009 11.989 19.827 1.00 0.00 H new ATOM 418 N ARG A 364 19.123 15.391 25.186 1.00 0.00 N ATOM 419 CA ARG A 364 18.261 16.038 26.170 1.00 0.00 C ATOM 420 C ARG A 364 16.902 15.350 26.225 1.00 0.00 C ATOM 421 O ARG A 364 15.864 15.989 26.051 1.00 0.00 O ATOM 422 CB ARG A 364 18.076 17.514 25.813 1.00 0.00 C ATOM 423 CG ARG A 364 19.440 18.205 25.766 1.00 0.00 C ATOM 424 CD ARG A 364 19.366 19.536 26.515 1.00 0.00 C ATOM 425 NE ARG A 364 20.553 20.336 26.239 1.00 0.00 N ATOM 426 CZ ARG A 364 21.679 20.153 26.922 1.00 0.00 C ATOM 427 NH1 ARG A 364 21.732 19.249 27.861 1.00 0.00 N ATOM 428 NH2 ARG A 364 22.730 20.878 26.653 1.00 0.00 N ATOM 0 H ARG A 364 18.678 15.208 24.287 1.00 0.00 H new ATOM 0 HA ARG A 364 18.735 15.959 27.149 1.00 0.00 H new ATOM 0 HB2 ARG A 364 17.577 17.606 24.848 1.00 0.00 H new ATOM 0 HB3 ARG A 364 17.436 17.999 26.550 1.00 0.00 H new ATOM 0 HG2 ARG A 364 20.199 17.565 26.215 1.00 0.00 H new ATOM 0 HG3 ARG A 364 19.738 18.374 24.731 1.00 0.00 H new ATOM 0 HD2 ARG A 364 18.472 20.082 26.213 1.00 0.00 H new ATOM 0 HD3 ARG A 364 19.282 19.354 27.586 1.00 0.00 H new ATOM 0 HE ARG A 364 20.519 21.048 25.510 1.00 0.00 H new ATOM 0 HH11 ARG A 364 20.910 18.683 28.071 1.00 0.00 H new ATOM 0 HH12 ARG A 364 22.596 19.108 28.385 1.00 0.00 H new ATOM 0 HH21 ARG A 364 22.688 21.585 25.919 1.00 0.00 H new ATOM 0 HH22 ARG A 364 23.594 20.738 27.177 1.00 0.00 H new ATOM 442 N PRO A 365 16.895 14.067 26.462 1.00 0.00 N ATOM 443 CA PRO A 365 15.638 13.266 26.545 1.00 0.00 C ATOM 444 C PRO A 365 14.774 13.672 27.736 1.00 0.00 C ATOM 445 O PRO A 365 13.574 13.900 27.587 1.00 0.00 O ATOM 446 CB PRO A 365 16.130 11.823 26.696 1.00 0.00 C ATOM 447 CG PRO A 365 17.523 11.930 27.221 1.00 0.00 C ATOM 448 CD PRO A 365 18.089 13.235 26.676 1.00 0.00 C ATOM 0 HA PRO A 365 15.004 13.414 25.671 1.00 0.00 H new ATOM 0 HB2 PRO A 365 15.495 11.261 27.381 1.00 0.00 H new ATOM 0 HB3 PRO A 365 16.110 11.299 25.740 1.00 0.00 H new ATOM 0 HG2 PRO A 365 17.528 11.930 28.311 1.00 0.00 H new ATOM 0 HG3 PRO A 365 18.126 11.081 26.899 1.00 0.00 H new ATOM 0 HD2 PRO A 365 18.779 13.698 27.381 1.00 0.00 H new ATOM 0 HD3 PRO A 365 18.639 13.077 25.748 1.00 0.00 H new ATOM 456 N LYS A 366 15.402 13.757 28.911 1.00 0.00 N ATOM 457 CA LYS A 366 14.705 14.133 30.142 1.00 0.00 C ATOM 458 C LYS A 366 13.254 13.662 30.126 1.00 0.00 C ATOM 459 O LYS A 366 12.363 14.339 30.639 1.00 0.00 O ATOM 460 CB LYS A 366 14.757 15.647 30.341 1.00 0.00 C ATOM 461 CG LYS A 366 14.454 16.357 29.024 1.00 0.00 C ATOM 462 CD LYS A 366 14.360 17.856 29.285 1.00 0.00 C ATOM 463 CE LYS A 366 13.941 18.577 28.003 1.00 0.00 C ATOM 464 NZ LYS A 366 12.480 18.380 27.777 1.00 0.00 N ATOM 0 H LYS A 366 16.397 13.569 29.035 1.00 0.00 H new ATOM 0 HA LYS A 366 15.213 13.643 30.973 1.00 0.00 H new ATOM 0 HB2 LYS A 366 14.035 15.947 31.100 1.00 0.00 H new ATOM 0 HB3 LYS A 366 15.742 15.941 30.704 1.00 0.00 H new ATOM 0 HG2 LYS A 366 15.237 16.149 28.294 1.00 0.00 H new ATOM 0 HG3 LYS A 366 13.519 15.988 28.602 1.00 0.00 H new ATOM 0 HD2 LYS A 366 13.637 18.052 30.077 1.00 0.00 H new ATOM 0 HD3 LYS A 366 15.322 18.236 29.630 1.00 0.00 H new ATOM 0 HE2 LYS A 366 14.168 19.640 28.080 1.00 0.00 H new ATOM 0 HE3 LYS A 366 14.506 18.191 27.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 12.314 18.123 26.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 12.133 17.618 28.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 11.973 19.261 27.996 1.00 0.00 H new ATOM 478 N LYS A 367 13.023 12.495 29.531 1.00 0.00 N ATOM 479 CA LYS A 367 11.677 11.941 29.452 1.00 0.00 C ATOM 480 C LYS A 367 10.938 12.136 30.773 1.00 0.00 C ATOM 481 O LYS A 367 11.519 11.965 31.844 1.00 0.00 O ATOM 482 CB LYS A 367 11.745 10.451 29.118 1.00 0.00 C ATOM 483 CG LYS A 367 11.980 10.273 27.616 1.00 0.00 C ATOM 484 CD LYS A 367 12.619 8.908 27.357 1.00 0.00 C ATOM 485 CE LYS A 367 12.511 8.567 25.870 1.00 0.00 C ATOM 486 NZ LYS A 367 11.114 8.153 25.555 1.00 0.00 N ATOM 0 H LYS A 367 13.746 11.919 29.100 1.00 0.00 H new ATOM 0 HA LYS A 367 11.134 12.465 28.665 1.00 0.00 H new ATOM 0 HB2 LYS A 367 12.550 9.978 29.681 1.00 0.00 H new ATOM 0 HB3 LYS A 367 10.818 9.959 29.412 1.00 0.00 H new ATOM 0 HG2 LYS A 367 11.036 10.352 27.078 1.00 0.00 H new ATOM 0 HG3 LYS A 367 12.627 11.066 27.242 1.00 0.00 H new ATOM 0 HD2 LYS A 367 13.665 8.921 27.663 1.00 0.00 H new ATOM 0 HD3 LYS A 367 12.122 8.143 27.953 1.00 0.00 H new ATOM 0 HE2 LYS A 367 12.790 9.431 25.267 1.00 0.00 H new ATOM 0 HE3 LYS A 367 13.205 7.765 25.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 11.102 7.625 24.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 10.751 7.548 26.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 10.513 8.997 25.467 1.00 0.00 H new HETATM 500 N NH2 A 368 9.682 12.488 30.760 1.00 0.00 N TER 503 NH2 A 368