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+ 133:sc= -0.259 (180deg=-1.2!) USER MOD Single : A 338 SER OG : rot 65:sc= 0.151 USER MOD Single : A 339 TYR OH : rot 30:sc= -5.61! USER MOD Single : A 340 MET CE :methyl 172:sc= 0 (180deg=-0.121) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot 121:sc= 1.28 USER MOD Single : A 349 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-5.2!) USER MOD Single : A 351 SER OG : rot 62:sc= 1.03 USER MOD Single : A 354 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot 180:sc= -0.398 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 37.783 9.301 -6.687 1.00 0.00 C HETATM 2 O ACE A 336 38.726 8.844 -6.040 1.00 0.00 O HETATM 3 CH3 ACE A 336 37.962 9.704 -8.147 1.00 0.00 C HETATM 0 H1 ACE A 336 37.287 9.119 -8.771 1.00 0.00 H new HETATM 0 H2 ACE A 336 37.735 10.764 -8.262 1.00 0.00 H new HETATM 0 H3 ACE A 336 38.992 9.518 -8.452 1.00 0.00 H new ATOM 7 N LYS A 337 36.571 9.478 -6.172 1.00 0.00 N ATOM 8 CA LYS A 337 36.281 9.134 -4.785 1.00 0.00 C ATOM 9 C LYS A 337 34.784 9.234 -4.492 1.00 0.00 C ATOM 10 O LYS A 337 34.380 9.399 -3.340 1.00 0.00 O ATOM 11 CB LYS A 337 37.063 10.059 -3.839 1.00 0.00 C ATOM 12 CG LYS A 337 36.453 11.471 -3.825 1.00 0.00 C ATOM 13 CD LYS A 337 36.289 11.991 -5.256 1.00 0.00 C ATOM 14 CE LYS A 337 36.083 13.507 -5.224 1.00 0.00 C ATOM 15 NZ LYS A 337 37.288 14.161 -4.641 1.00 0.00 N ATOM 0 H LYS A 337 35.778 9.855 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 337 36.591 8.102 -4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 337 37.056 9.645 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.105 10.112 -4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.485 11.452 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 337 37.093 12.146 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 337 37.171 11.745 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.438 11.507 -5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 337 35.905 13.882 -6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.201 13.752 -4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 37.569 14.965 -5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 37.069 14.501 -3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 38.068 13.474 -4.595 1.00 0.00 H new ATOM 29 N SER A 338 33.965 9.132 -5.540 1.00 0.00 N ATOM 30 CA SER A 338 32.513 9.217 -5.380 1.00 0.00 C ATOM 31 C SER A 338 31.837 7.906 -5.774 1.00 0.00 C ATOM 32 O SER A 338 31.058 7.862 -6.726 1.00 0.00 O ATOM 33 CB SER A 338 31.964 10.351 -6.245 1.00 0.00 C ATOM 34 OG SER A 338 32.415 10.182 -7.583 1.00 0.00 O ATOM 0 H SER A 338 34.279 8.992 -6.500 1.00 0.00 H new ATOM 0 HA SER A 338 32.299 9.414 -4.330 1.00 0.00 H new ATOM 0 HB2 SER A 338 30.874 10.353 -6.214 1.00 0.00 H new ATOM 0 HB3 SER A 338 32.296 11.314 -5.856 1.00 0.00 H new ATOM 0 HG SER A 338 32.034 9.360 -7.955 1.00 0.00 H new ATOM 40 N TYR A 339 32.131 6.843 -5.032 1.00 0.00 N ATOM 41 CA TYR A 339 31.534 5.539 -5.310 1.00 0.00 C ATOM 42 C TYR A 339 32.096 4.473 -4.359 1.00 0.00 C ATOM 43 O TYR A 339 31.790 4.482 -3.167 1.00 0.00 O ATOM 44 CB TYR A 339 31.765 5.152 -6.782 1.00 0.00 C ATOM 45 CG TYR A 339 33.037 5.789 -7.298 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.162 5.904 -6.474 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.077 6.276 -8.611 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.329 6.505 -6.962 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.243 6.877 -9.099 1.00 0.00 C ATOM 50 CZ TYR A 339 35.369 6.991 -8.275 1.00 0.00 C ATOM 51 OH TYR A 339 36.519 7.584 -8.756 1.00 0.00 O ATOM 0 H TYR A 339 32.773 6.857 -4.240 1.00 0.00 H new ATOM 0 HA TYR A 339 30.459 5.601 -5.140 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.829 4.068 -6.874 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.917 5.474 -7.387 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.130 5.529 -5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.208 6.188 -9.247 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.198 6.594 -6.326 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.274 7.253 -10.111 1.00 0.00 H new ATOM 0 HH TYR A 339 37.300 7.192 -8.312 1.00 0.00 H new ATOM 61 N MET A 340 32.917 3.564 -4.881 1.00 0.00 N ATOM 62 CA MET A 340 33.502 2.512 -4.059 1.00 0.00 C ATOM 63 C MET A 340 34.407 3.108 -2.989 1.00 0.00 C ATOM 64 O MET A 340 34.963 2.391 -2.158 1.00 0.00 O ATOM 65 CB MET A 340 34.308 1.555 -4.938 1.00 0.00 C ATOM 66 CG MET A 340 35.441 2.322 -5.623 1.00 0.00 C ATOM 67 SD MET A 340 36.870 2.401 -4.516 1.00 0.00 S ATOM 68 CE MET A 340 37.704 3.788 -5.322 1.00 0.00 C ATOM 0 H MET A 340 33.190 3.536 -5.863 1.00 0.00 H new ATOM 0 HA MET A 340 32.695 1.966 -3.570 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.716 0.746 -4.333 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.660 1.098 -5.686 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.716 1.829 -6.555 1.00 0.00 H new ATOM 0 HG3 MET A 340 35.110 3.328 -5.880 1.00 0.00 H new ATOM 0 HE1 MET A 340 38.552 4.105 -4.715 1.00 0.00 H new ATOM 0 HE2 MET A 340 38.057 3.478 -6.306 1.00 0.00 H new ATOM 0 HE3 MET A 340 37.006 4.618 -5.432 1.00 0.00 H new ATOM 78 N ALA A 341 34.549 4.426 -3.022 1.00 0.00 N ATOM 79 CA ALA A 341 35.390 5.119 -2.056 1.00 0.00 C ATOM 80 C ALA A 341 34.569 5.602 -0.868 1.00 0.00 C ATOM 81 O ALA A 341 35.078 5.708 0.249 1.00 0.00 O ATOM 82 CB ALA A 341 36.054 6.320 -2.724 1.00 0.00 C ATOM 0 H ALA A 341 34.095 5.034 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 341 36.147 4.421 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.683 6.838 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.667 5.979 -3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.287 7.002 -3.091 1.00 0.00 H new ATOM 88 N TYR A 342 33.303 5.915 -1.117 1.00 0.00 N ATOM 89 CA TYR A 342 32.434 6.410 -0.059 1.00 0.00 C ATOM 90 C TYR A 342 31.581 5.290 0.538 1.00 0.00 C ATOM 91 O TYR A 342 31.493 5.159 1.759 1.00 0.00 O ATOM 92 CB TYR A 342 31.539 7.521 -0.610 1.00 0.00 C ATOM 93 CG TYR A 342 30.204 6.945 -1.007 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.176 6.832 -0.063 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.995 6.519 -2.324 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.940 6.292 -0.435 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.759 5.979 -2.697 1.00 0.00 C ATOM 98 CZ TYR A 342 27.731 5.866 -1.753 1.00 0.00 C ATOM 99 OH TYR A 342 26.512 5.333 -2.120 1.00 0.00 O ATOM 0 H TYR A 342 32.860 5.836 -2.032 1.00 0.00 H new ATOM 0 HA TYR A 342 33.060 6.807 0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.402 8.298 0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 342 32.014 7.991 -1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.337 7.162 0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.788 6.607 -3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.148 6.204 0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.598 5.649 -3.713 1.00 0.00 H new ATOM 0 HH TYR A 342 26.534 5.089 -3.069 1.00 0.00 H new ATOM 109 N LEU A 343 30.951 4.486 -0.317 1.00 0.00 N ATOM 110 CA LEU A 343 30.114 3.395 0.171 1.00 0.00 C ATOM 111 C LEU A 343 30.943 2.423 1.001 1.00 0.00 C ATOM 112 O LEU A 343 30.404 1.643 1.786 1.00 0.00 O ATOM 113 CB LEU A 343 29.442 2.662 -1.000 1.00 0.00 C ATOM 114 CG LEU A 343 30.440 1.724 -1.694 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.317 0.297 -1.140 1.00 0.00 C ATOM 116 CD2 LEU A 343 30.136 1.697 -3.193 1.00 0.00 C ATOM 0 H LEU A 343 31.003 4.567 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 343 29.333 3.817 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.589 2.089 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 343 29.057 3.387 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 343 31.451 2.090 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 343 31.033 -0.352 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.524 0.303 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.307 -0.074 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.840 1.033 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 343 29.120 1.336 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 343 30.231 2.703 -3.602 1.00 0.00 H new ATOM 128 N SER A 344 32.259 2.483 0.829 1.00 0.00 N ATOM 129 CA SER A 344 33.157 1.609 1.573 1.00 0.00 C ATOM 130 C SER A 344 33.531 2.250 2.906 1.00 0.00 C ATOM 131 O SER A 344 34.302 1.686 3.683 1.00 0.00 O ATOM 132 CB SER A 344 34.421 1.341 0.757 1.00 0.00 C ATOM 133 OG SER A 344 34.079 0.619 -0.417 1.00 0.00 O ATOM 0 H SER A 344 32.725 3.123 0.186 1.00 0.00 H new ATOM 0 HA SER A 344 32.647 0.665 1.764 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.902 2.282 0.491 1.00 0.00 H new ATOM 0 HB3 SER A 344 35.137 0.773 1.351 1.00 0.00 H new ATOM 0 HG SER A 344 34.353 1.130 -1.207 1.00 0.00 H new ATOM 139 N ALA A 345 32.979 3.435 3.155 1.00 0.00 N ATOM 140 CA ALA A 345 33.255 4.161 4.391 1.00 0.00 C ATOM 141 C ALA A 345 31.972 4.372 5.189 1.00 0.00 C ATOM 142 O ALA A 345 31.942 5.153 6.139 1.00 0.00 O ATOM 143 CB ALA A 345 33.878 5.519 4.065 1.00 0.00 C ATOM 0 H ALA A 345 32.340 3.912 2.519 1.00 0.00 H new ATOM 0 HA ALA A 345 33.949 3.571 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.082 6.057 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.809 5.370 3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.187 6.099 3.453 1.00 0.00 H new ATOM 149 N GLU A 346 30.911 3.674 4.795 1.00 0.00 N ATOM 150 CA GLU A 346 29.631 3.800 5.482 1.00 0.00 C ATOM 151 C GLU A 346 28.877 2.474 5.468 1.00 0.00 C ATOM 152 O GLU A 346 27.785 2.375 4.908 1.00 0.00 O ATOM 153 CB GLU A 346 28.783 4.877 4.806 1.00 0.00 C ATOM 154 CG GLU A 346 28.686 4.580 3.309 1.00 0.00 C ATOM 155 CD GLU A 346 27.234 4.675 2.853 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.745 5.786 2.730 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.631 3.635 2.641 1.00 0.00 O ATOM 0 H GLU A 346 30.912 3.021 4.011 1.00 0.00 H new ATOM 0 HA GLU A 346 29.823 4.082 6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.787 4.903 5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.228 5.859 4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.299 5.286 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.077 3.584 3.101 1.00 0.00 H new ATOM 164 N LEU A 347 29.467 1.460 6.088 1.00 0.00 N ATOM 165 CA LEU A 347 28.845 0.141 6.144 1.00 0.00 C ATOM 166 C LEU A 347 29.013 -0.469 7.532 1.00 0.00 C ATOM 167 O LEU A 347 28.616 -1.610 7.771 1.00 0.00 O ATOM 168 CB LEU A 347 29.480 -0.778 5.100 1.00 0.00 C ATOM 169 CG LEU A 347 30.991 -0.832 5.325 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.400 -2.252 5.723 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.711 -0.438 4.034 1.00 0.00 C ATOM 0 H LEU A 347 30.370 1.523 6.557 1.00 0.00 H new ATOM 0 HA LEU A 347 27.781 0.250 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.054 -1.779 5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.263 -0.412 4.097 1.00 0.00 H new ATOM 0 HG LEU A 347 31.264 -0.140 6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.478 -2.289 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 347 30.887 -2.534 6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.127 -2.946 4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.789 -0.476 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.437 -1.131 3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.421 0.574 3.750 1.00 0.00 H new ATOM 183 N PHE A 348 29.609 0.296 8.440 1.00 0.00 N ATOM 184 CA PHE A 348 29.835 -0.177 9.799 1.00 0.00 C ATOM 185 C PHE A 348 29.601 0.947 10.803 1.00 0.00 C ATOM 186 O PHE A 348 29.705 0.743 12.013 1.00 0.00 O ATOM 187 CB PHE A 348 31.271 -0.689 9.933 1.00 0.00 C ATOM 188 CG PHE A 348 32.132 -0.053 8.865 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.063 1.326 8.638 1.00 0.00 C ATOM 190 CD2 PHE A 348 32.997 -0.846 8.100 1.00 0.00 C ATOM 191 CE1 PHE A 348 32.858 1.914 7.646 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.792 -0.259 7.109 1.00 0.00 C ATOM 193 CZ PHE A 348 33.722 1.121 6.882 1.00 0.00 C ATOM 0 H PHE A 348 29.943 1.243 8.260 1.00 0.00 H new ATOM 0 HA PHE A 348 29.135 -0.986 10.007 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.663 -0.451 10.922 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.293 -1.774 9.835 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.396 1.937 9.228 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.050 -1.910 8.275 1.00 0.00 H new ATOM 0 HE1 PHE A 348 32.804 2.978 7.471 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.459 -0.870 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.335 1.574 6.117 1.00 0.00 H new ATOM 203 N HIS A 349 29.299 2.136 10.292 1.00 0.00 N ATOM 204 CA HIS A 349 29.069 3.290 11.153 1.00 0.00 C ATOM 205 C HIS A 349 27.845 3.076 12.046 1.00 0.00 C ATOM 206 O HIS A 349 27.414 3.992 12.745 1.00 0.00 O ATOM 207 CB HIS A 349 28.886 4.555 10.308 1.00 0.00 C ATOM 208 CG HIS A 349 27.598 4.480 9.535 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.444 5.116 9.961 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.271 3.856 8.357 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.483 4.864 9.053 1.00 0.00 C ATOM 212 NE2 HIS A 349 25.934 4.100 8.055 1.00 0.00 N ATOM 0 H HIS A 349 29.208 2.325 9.294 1.00 0.00 H new ATOM 0 HA HIS A 349 29.943 3.411 11.794 1.00 0.00 H new ATOM 0 HB2 HIS A 349 28.882 5.434 10.952 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.725 4.667 9.621 1.00 0.00 H new ATOM 0 HD2 HIS A 349 27.947 3.266 7.756 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.471 5.234 9.123 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.411 3.767 7.245 1.00 0.00 H new ATOM 220 N LEU A 350 27.296 1.861 12.015 1.00 0.00 N ATOM 221 CA LEU A 350 26.132 1.527 12.819 1.00 0.00 C ATOM 222 C LEU A 350 26.469 0.416 13.812 1.00 0.00 C ATOM 223 O LEU A 350 26.418 0.617 15.014 1.00 0.00 O ATOM 224 CB LEU A 350 24.975 1.066 11.922 1.00 0.00 C ATOM 225 CG LEU A 350 25.524 0.500 10.608 1.00 0.00 C ATOM 226 CD1 LEU A 350 24.510 -0.478 10.014 1.00 0.00 C ATOM 227 CD2 LEU A 350 25.763 1.642 9.621 1.00 0.00 C ATOM 0 H LEU A 350 27.643 1.094 11.439 1.00 0.00 H new ATOM 0 HA LEU A 350 25.832 2.421 13.365 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.385 0.307 12.436 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.308 1.903 11.716 1.00 0.00 H new ATOM 0 HG LEU A 350 26.464 -0.018 10.800 1.00 0.00 H new ATOM 0 HD11 LEU A 350 24.899 -0.882 9.079 1.00 0.00 H new ATOM 0 HD12 LEU A 350 24.336 -1.293 10.717 1.00 0.00 H new ATOM 0 HD13 LEU A 350 23.572 0.043 9.822 1.00 0.00 H new ATOM 0 HD21 LEU A 350 26.154 1.239 8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 350 24.823 2.159 9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 350 26.483 2.343 10.043 1.00 0.00 H new ATOM 239 N SER A 351 26.803 -0.761 13.301 1.00 0.00 N ATOM 240 CA SER A 351 27.125 -1.894 14.167 1.00 0.00 C ATOM 241 C SER A 351 28.165 -1.525 15.227 1.00 0.00 C ATOM 242 O SER A 351 29.355 -1.788 15.055 1.00 0.00 O ATOM 243 CB SER A 351 27.644 -3.060 13.326 1.00 0.00 C ATOM 244 OG SER A 351 28.994 -2.812 12.958 1.00 0.00 O ATOM 0 H SER A 351 26.859 -0.959 12.302 1.00 0.00 H new ATOM 0 HA SER A 351 26.209 -2.184 14.682 1.00 0.00 H new ATOM 0 HB2 SER A 351 27.574 -3.990 13.891 1.00 0.00 H new ATOM 0 HB3 SER A 351 27.029 -3.182 12.434 1.00 0.00 H new ATOM 0 HG SER A 351 29.547 -2.750 13.765 1.00 0.00 H new ATOM 250 N GLY A 352 27.710 -0.916 16.324 1.00 0.00 N ATOM 251 CA GLY A 352 28.614 -0.523 17.399 1.00 0.00 C ATOM 252 C GLY A 352 28.309 0.900 17.819 1.00 0.00 C ATOM 253 O GLY A 352 28.251 1.221 19.006 1.00 0.00 O ATOM 0 H GLY A 352 26.730 -0.687 16.488 1.00 0.00 H new ATOM 0 HA2 GLY A 352 28.501 -1.197 18.248 1.00 0.00 H new ATOM 0 HA3 GLY A 352 29.649 -0.601 17.066 1.00 0.00 H new ATOM 257 N ILE A 353 28.092 1.738 16.822 1.00 0.00 N ATOM 258 CA ILE A 353 27.762 3.128 17.055 1.00 0.00 C ATOM 259 C ILE A 353 26.244 3.284 17.089 1.00 0.00 C ATOM 260 O ILE A 353 25.713 4.245 17.643 1.00 0.00 O ATOM 261 CB ILE A 353 28.339 3.977 15.924 1.00 0.00 C ATOM 262 CG1 ILE A 353 29.867 3.950 15.996 1.00 0.00 C ATOM 263 CG2 ILE A 353 27.848 5.419 16.059 1.00 0.00 C ATOM 264 CD1 ILE A 353 30.441 3.739 14.594 1.00 0.00 C ATOM 0 H ILE A 353 28.139 1.476 15.837 1.00 0.00 H new ATOM 0 HA ILE A 353 28.183 3.455 18.006 1.00 0.00 H new ATOM 0 HB ILE A 353 28.011 3.573 14.966 1.00 0.00 H new ATOM 0 HG12 ILE A 353 30.238 4.885 16.415 1.00 0.00 H new ATOM 0 HG13 ILE A 353 30.196 3.150 16.659 1.00 0.00 H new ATOM 0 HG21 ILE A 353 28.262 6.021 15.250 1.00 0.00 H new ATOM 0 HG22 ILE A 353 26.759 5.439 16.006 1.00 0.00 H new ATOM 0 HG23 ILE A 353 28.172 5.826 17.017 1.00 0.00 H new ATOM 0 HD11 ILE A 353 31.530 3.720 14.646 1.00 0.00 H new ATOM 0 HD12 ILE A 353 30.080 2.792 14.192 1.00 0.00 H new ATOM 0 HD13 ILE A 353 30.123 4.554 13.944 1.00 0.00 H new ATOM 276 N MET A 354 25.564 2.315 16.478 1.00 0.00 N ATOM 277 CA MET A 354 24.108 2.309 16.395 1.00 0.00 C ATOM 278 C MET A 354 23.469 2.070 17.758 1.00 0.00 C ATOM 279 O MET A 354 22.413 2.620 18.068 1.00 0.00 O ATOM 280 CB MET A 354 23.638 1.211 15.437 1.00 0.00 C ATOM 281 CG MET A 354 24.100 -0.156 15.945 1.00 0.00 C ATOM 282 SD MET A 354 22.710 -1.013 16.726 1.00 0.00 S ATOM 283 CE MET A 354 23.409 -2.681 16.663 1.00 0.00 C ATOM 0 H MET A 354 26.008 1.514 16.028 1.00 0.00 H new ATOM 0 HA MET A 354 23.801 3.289 16.028 1.00 0.00 H new ATOM 0 HB2 MET A 354 22.551 1.230 15.354 1.00 0.00 H new ATOM 0 HB3 MET A 354 24.037 1.392 14.439 1.00 0.00 H new ATOM 0 HG2 MET A 354 24.489 -0.750 15.118 1.00 0.00 H new ATOM 0 HG3 MET A 354 24.914 -0.034 16.660 1.00 0.00 H new ATOM 0 HE1 MET A 354 22.704 -3.388 17.102 1.00 0.00 H new ATOM 0 HE2 MET A 354 23.601 -2.956 15.626 1.00 0.00 H new ATOM 0 HE3 MET A 354 24.344 -2.705 17.223 1.00 0.00 H new ATOM 293 N ALA A 355 24.112 1.230 18.558 1.00 0.00 N ATOM 294 CA ALA A 355 23.604 0.897 19.880 1.00 0.00 C ATOM 295 C ALA A 355 23.760 2.082 20.815 1.00 0.00 C ATOM 296 O ALA A 355 23.289 2.059 21.952 1.00 0.00 O ATOM 297 CB ALA A 355 24.372 -0.301 20.434 1.00 0.00 C ATOM 0 H ALA A 355 24.987 0.767 18.313 1.00 0.00 H new ATOM 0 HA ALA A 355 22.546 0.647 19.802 1.00 0.00 H new ATOM 0 HB1 ALA A 355 23.992 -0.551 21.424 1.00 0.00 H new ATOM 0 HB2 ALA A 355 24.242 -1.155 19.770 1.00 0.00 H new ATOM 0 HB3 ALA A 355 25.431 -0.053 20.504 1.00 0.00 H new ATOM 303 N LEU A 356 24.427 3.116 20.319 1.00 0.00 N ATOM 304 CA LEU A 356 24.655 4.318 21.103 1.00 0.00 C ATOM 305 C LEU A 356 24.184 5.538 20.329 1.00 0.00 C ATOM 306 O LEU A 356 23.993 6.606 20.911 1.00 0.00 O ATOM 307 CB LEU A 356 26.141 4.468 21.439 1.00 0.00 C ATOM 308 CG LEU A 356 26.958 3.413 20.690 1.00 0.00 C ATOM 309 CD1 LEU A 356 28.441 3.779 20.754 1.00 0.00 C ATOM 310 CD2 LEU A 356 26.751 2.033 21.327 1.00 0.00 C ATOM 0 H LEU A 356 24.819 3.144 19.378 1.00 0.00 H new ATOM 0 HA LEU A 356 24.091 4.236 22.032 1.00 0.00 H new ATOM 0 HB2 LEU A 356 26.485 5.466 21.167 1.00 0.00 H new ATOM 0 HB3 LEU A 356 26.292 4.361 22.513 1.00 0.00 H new ATOM 0 HG LEU A 356 26.628 3.381 19.652 1.00 0.00 H new ATOM 0 HD11 LEU A 356 29.024 3.028 20.221 1.00 0.00 H new ATOM 0 HD12 LEU A 356 28.595 4.754 20.292 1.00 0.00 H new ATOM 0 HD13 LEU A 356 28.762 3.816 21.795 1.00 0.00 H new ATOM 0 HD21 LEU A 356 27.337 1.291 20.785 1.00 0.00 H new ATOM 0 HD22 LEU A 356 27.073 2.061 22.368 1.00 0.00 H new ATOM 0 HD23 LEU A 356 25.695 1.766 21.281 1.00 0.00 H new ATOM 322 N ILE A 357 24.006 5.376 19.013 1.00 0.00 N ATOM 323 CA ILE A 357 23.557 6.487 18.169 1.00 0.00 C ATOM 324 C ILE A 357 22.566 7.363 18.931 1.00 0.00 C ATOM 325 O ILE A 357 22.642 8.591 18.886 1.00 0.00 O ATOM 326 CB ILE A 357 22.892 5.944 16.881 1.00 0.00 C ATOM 327 CG1 ILE A 357 23.876 5.992 15.695 1.00 0.00 C ATOM 328 CG2 ILE A 357 21.634 6.749 16.514 1.00 0.00 C ATOM 329 CD1 ILE A 357 24.348 7.425 15.426 1.00 0.00 C ATOM 0 H ILE A 357 24.163 4.499 18.516 1.00 0.00 H new ATOM 0 HA ILE A 357 24.425 7.088 17.896 1.00 0.00 H new ATOM 0 HB ILE A 357 22.607 4.911 17.082 1.00 0.00 H new ATOM 0 HG12 ILE A 357 24.736 5.356 15.906 1.00 0.00 H new ATOM 0 HG13 ILE A 357 23.395 5.591 14.803 1.00 0.00 H new ATOM 0 HG21 ILE A 357 21.193 6.340 15.605 1.00 0.00 H new ATOM 0 HG22 ILE A 357 20.912 6.686 17.328 1.00 0.00 H new ATOM 0 HG23 ILE A 357 21.905 7.792 16.349 1.00 0.00 H new ATOM 0 HD11 ILE A 357 25.041 7.428 14.584 1.00 0.00 H new ATOM 0 HD12 ILE A 357 23.489 8.053 15.191 1.00 0.00 H new ATOM 0 HD13 ILE A 357 24.851 7.815 16.311 1.00 0.00 H new ATOM 341 N ALA A 358 21.633 6.721 19.624 1.00 0.00 N ATOM 342 CA ALA A 358 20.626 7.451 20.387 1.00 0.00 C ATOM 343 C ALA A 358 21.071 7.639 21.834 1.00 0.00 C ATOM 344 O ALA A 358 20.581 8.528 22.532 1.00 0.00 O ATOM 345 CB ALA A 358 19.298 6.695 20.352 1.00 0.00 C ATOM 0 H ALA A 358 21.552 5.705 19.674 1.00 0.00 H new ATOM 0 HA ALA A 358 20.499 8.434 19.933 1.00 0.00 H new ATOM 0 HB1 ALA A 358 18.551 7.246 20.924 1.00 0.00 H new ATOM 0 HB2 ALA A 358 18.964 6.595 19.319 1.00 0.00 H new ATOM 0 HB3 ALA A 358 19.431 5.705 20.788 1.00 0.00 H new ATOM 351 N SER A 359 21.995 6.798 22.281 1.00 0.00 N ATOM 352 CA SER A 359 22.492 6.882 23.651 1.00 0.00 C ATOM 353 C SER A 359 23.717 7.788 23.726 1.00 0.00 C ATOM 354 O SER A 359 24.294 7.977 24.797 1.00 0.00 O ATOM 355 CB SER A 359 22.856 5.487 24.159 1.00 0.00 C ATOM 356 OG SER A 359 24.267 5.324 24.111 1.00 0.00 O ATOM 0 H SER A 359 22.414 6.055 21.721 1.00 0.00 H new ATOM 0 HA SER A 359 21.705 7.304 24.276 1.00 0.00 H new ATOM 0 HB2 SER A 359 22.497 5.354 25.180 1.00 0.00 H new ATOM 0 HB3 SER A 359 22.369 4.726 23.548 1.00 0.00 H new ATOM 0 HG SER A 359 24.504 4.431 24.438 1.00 0.00 H new ATOM 362 N GLY A 360 24.110 8.346 22.586 1.00 0.00 N ATOM 363 CA GLY A 360 25.271 9.228 22.541 1.00 0.00 C ATOM 364 C GLY A 360 25.012 10.430 21.638 1.00 0.00 C ATOM 365 O GLY A 360 25.831 10.763 20.783 1.00 0.00 O ATOM 0 H GLY A 360 23.647 8.205 21.688 1.00 0.00 H new ATOM 0 HA2 GLY A 360 25.511 9.570 23.548 1.00 0.00 H new ATOM 0 HA3 GLY A 360 26.137 8.676 22.177 1.00 0.00 H new ATOM 369 N VAL A 361 23.868 11.076 21.836 1.00 0.00 N ATOM 370 CA VAL A 361 23.512 12.242 21.037 1.00 0.00 C ATOM 371 C VAL A 361 22.282 12.932 21.617 1.00 0.00 C ATOM 372 O VAL A 361 21.984 14.079 21.279 1.00 0.00 O ATOM 373 CB VAL A 361 23.231 11.821 19.593 1.00 0.00 C ATOM 374 CG1 VAL A 361 21.783 11.342 19.472 1.00 0.00 C ATOM 375 CG2 VAL A 361 23.450 13.017 18.663 1.00 0.00 C ATOM 0 H VAL A 361 23.176 10.814 22.538 1.00 0.00 H new ATOM 0 HA VAL A 361 24.349 12.940 21.054 1.00 0.00 H new ATOM 0 HB VAL A 361 23.906 11.012 19.313 1.00 0.00 H new ATOM 0 HG11 VAL A 361 21.584 11.042 18.443 1.00 0.00 H new ATOM 0 HG12 VAL A 361 21.625 10.491 20.135 1.00 0.00 H new ATOM 0 HG13 VAL A 361 21.108 12.151 19.752 1.00 0.00 H new ATOM 0 HG21 VAL A 361 23.250 12.719 17.634 1.00 0.00 H new ATOM 0 HG22 VAL A 361 22.775 13.825 18.944 1.00 0.00 H new ATOM 0 HG23 VAL A 361 24.481 13.360 18.748 1.00 0.00 H new ATOM 385 N VAL A 362 21.573 12.228 22.492 1.00 0.00 N ATOM 386 CA VAL A 362 20.377 12.782 23.116 1.00 0.00 C ATOM 387 C VAL A 362 20.744 13.573 24.364 1.00 0.00 C ATOM 388 O VAL A 362 19.908 14.271 24.938 1.00 0.00 O ATOM 389 CB VAL A 362 19.413 11.654 23.484 1.00 0.00 C ATOM 390 CG1 VAL A 362 19.782 11.089 24.857 1.00 0.00 C ATOM 391 CG2 VAL A 362 17.983 12.196 23.523 1.00 0.00 C ATOM 0 H VAL A 362 21.803 11.278 22.784 1.00 0.00 H new ATOM 0 HA VAL A 362 19.894 13.453 22.406 1.00 0.00 H new ATOM 0 HB VAL A 362 19.482 10.863 22.737 1.00 0.00 H new ATOM 0 HG11 VAL A 362 19.093 10.285 25.117 1.00 0.00 H new ATOM 0 HG12 VAL A 362 20.800 10.700 24.829 1.00 0.00 H new ATOM 0 HG13 VAL A 362 19.716 11.879 25.605 1.00 0.00 H new ATOM 0 HG21 VAL A 362 17.296 11.391 23.785 1.00 0.00 H new ATOM 0 HG22 VAL A 362 17.915 12.989 24.268 1.00 0.00 H new ATOM 0 HG23 VAL A 362 17.718 12.594 22.544 1.00 0.00 H new ATOM 401 N MET A 363 21.999 13.457 24.774 1.00 0.00 N ATOM 402 CA MET A 363 22.480 14.164 25.955 1.00 0.00 C ATOM 403 C MET A 363 21.918 15.582 25.999 1.00 0.00 C ATOM 404 O MET A 363 21.417 16.093 24.998 1.00 0.00 O ATOM 405 CB MET A 363 24.007 14.219 25.935 1.00 0.00 C ATOM 406 CG MET A 363 24.568 12.797 26.012 1.00 0.00 C ATOM 407 SD MET A 363 26.362 12.842 25.779 1.00 0.00 S ATOM 408 CE MET A 363 26.702 11.145 26.307 1.00 0.00 C ATOM 0 H MET A 363 22.702 12.882 24.309 1.00 0.00 H new ATOM 0 HA MET A 363 22.144 13.627 26.842 1.00 0.00 H new ATOM 0 HB2 MET A 363 24.352 14.709 25.025 1.00 0.00 H new ATOM 0 HB3 MET A 363 24.372 14.812 26.774 1.00 0.00 H new ATOM 0 HG2 MET A 363 24.327 12.351 26.977 1.00 0.00 H new ATOM 0 HG3 MET A 363 24.107 12.171 25.248 1.00 0.00 H new ATOM 0 HE1 MET A 363 27.773 10.951 26.242 1.00 0.00 H new ATOM 0 HE2 MET A 363 26.371 11.011 27.337 1.00 0.00 H new ATOM 0 HE3 MET A 363 26.167 10.449 25.661 1.00 0.00 H new ATOM 418 N ARG A 364 22.005 16.212 27.167 1.00 0.00 N ATOM 419 CA ARG A 364 21.500 17.571 27.327 1.00 0.00 C ATOM 420 C ARG A 364 22.376 18.362 28.292 1.00 0.00 C ATOM 421 O ARG A 364 21.993 18.614 29.434 1.00 0.00 O ATOM 422 CB ARG A 364 20.063 17.534 27.853 1.00 0.00 C ATOM 423 CG ARG A 364 19.407 18.900 27.646 1.00 0.00 C ATOM 424 CD ARG A 364 18.555 18.871 26.375 1.00 0.00 C ATOM 425 NE ARG A 364 17.958 20.179 26.138 1.00 0.00 N ATOM 426 CZ ARG A 364 17.489 20.513 24.940 1.00 0.00 C ATOM 427 NH1 ARG A 364 17.558 19.663 23.952 1.00 0.00 N ATOM 428 NH2 ARG A 364 16.960 21.691 24.751 1.00 0.00 N ATOM 0 H ARG A 364 22.416 15.808 28.008 1.00 0.00 H new ATOM 0 HA ARG A 364 21.520 18.062 26.354 1.00 0.00 H new ATOM 0 HB2 ARG A 364 19.494 16.763 27.333 1.00 0.00 H new ATOM 0 HB3 ARG A 364 20.059 17.274 28.911 1.00 0.00 H new ATOM 0 HG2 ARG A 364 18.787 19.151 28.506 1.00 0.00 H new ATOM 0 HG3 ARG A 364 20.171 19.674 27.567 1.00 0.00 H new ATOM 0 HD2 ARG A 364 19.171 18.585 25.522 1.00 0.00 H new ATOM 0 HD3 ARG A 364 17.773 18.118 26.470 1.00 0.00 H new ATOM 0 HE ARG A 364 17.899 20.850 26.904 1.00 0.00 H new ATOM 0 HH11 ARG A 364 17.972 18.742 24.099 1.00 0.00 H new ATOM 0 HH12 ARG A 364 17.198 19.919 23.033 1.00 0.00 H new ATOM 0 HH21 ARG A 364 16.906 22.356 25.523 1.00 0.00 H new ATOM 0 HH22 ARG A 364 16.600 21.947 23.832 1.00 0.00 H new ATOM 442 N PRO A 365 23.540 18.754 27.850 1.00 0.00 N ATOM 443 CA PRO A 365 24.499 19.531 28.677 1.00 0.00 C ATOM 444 C PRO A 365 24.172 21.023 28.691 1.00 0.00 C ATOM 445 O PRO A 365 24.163 21.656 29.746 1.00 0.00 O ATOM 446 CB PRO A 365 25.839 19.271 27.993 1.00 0.00 C ATOM 447 CG PRO A 365 25.512 19.003 26.558 1.00 0.00 C ATOM 448 CD PRO A 365 24.071 18.492 26.504 1.00 0.00 C ATOM 0 HA PRO A 365 24.480 19.232 29.725 1.00 0.00 H new ATOM 0 HB2 PRO A 365 26.502 20.131 28.090 1.00 0.00 H new ATOM 0 HB3 PRO A 365 26.351 18.421 28.444 1.00 0.00 H new ATOM 0 HG2 PRO A 365 25.620 19.911 25.964 1.00 0.00 H new ATOM 0 HG3 PRO A 365 26.197 18.265 26.140 1.00 0.00 H new ATOM 0 HD2 PRO A 365 23.493 19.013 25.740 1.00 0.00 H new ATOM 0 HD3 PRO A 365 24.035 17.430 26.262 1.00 0.00 H new ATOM 456 N LYS A 366 23.905 21.577 27.512 1.00 0.00 N ATOM 457 CA LYS A 366 23.579 22.994 27.398 1.00 0.00 C ATOM 458 C LYS A 366 24.754 23.853 27.853 1.00 0.00 C ATOM 459 O LYS A 366 24.665 25.080 27.881 1.00 0.00 O ATOM 460 CB LYS A 366 22.348 23.320 28.247 1.00 0.00 C ATOM 461 CG LYS A 366 21.301 22.217 28.073 1.00 0.00 C ATOM 462 CD LYS A 366 19.931 22.745 28.503 1.00 0.00 C ATOM 463 CE LYS A 366 19.985 23.169 29.971 1.00 0.00 C ATOM 464 NZ LYS A 366 18.601 23.247 30.517 1.00 0.00 N ATOM 0 H LYS A 366 23.908 21.070 26.627 1.00 0.00 H new ATOM 0 HA LYS A 366 23.366 23.213 26.352 1.00 0.00 H new ATOM 0 HB2 LYS A 366 22.629 23.407 29.296 1.00 0.00 H new ATOM 0 HB3 LYS A 366 21.931 24.282 27.948 1.00 0.00 H new ATOM 0 HG2 LYS A 366 21.268 21.892 27.033 1.00 0.00 H new ATOM 0 HG3 LYS A 366 21.571 21.346 28.670 1.00 0.00 H new ATOM 0 HD2 LYS A 366 19.644 23.592 27.879 1.00 0.00 H new ATOM 0 HD3 LYS A 366 19.173 21.975 28.364 1.00 0.00 H new ATOM 0 HE2 LYS A 366 20.574 22.454 30.546 1.00 0.00 H new ATOM 0 HE3 LYS A 366 20.479 24.136 30.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 18.637 23.535 31.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 18.053 23.945 29.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 18.145 22.315 30.442 1.00 0.00 H new ATOM 478 N LYS A 367 25.856 23.200 28.211 1.00 0.00 N ATOM 479 CA LYS A 367 27.043 23.914 28.665 1.00 0.00 C ATOM 480 C LYS A 367 26.701 24.830 29.835 1.00 0.00 C ATOM 481 O LYS A 367 25.529 25.111 30.088 1.00 0.00 O ATOM 482 CB LYS A 367 27.624 24.744 27.518 1.00 0.00 C ATOM 483 CG LYS A 367 27.859 23.843 26.304 1.00 0.00 C ATOM 484 CD LYS A 367 29.293 24.028 25.801 1.00 0.00 C ATOM 485 CE LYS A 367 29.515 25.491 25.412 1.00 0.00 C ATOM 486 NZ LYS A 367 30.171 25.555 24.076 1.00 0.00 N ATOM 0 H LYS A 367 25.951 22.185 28.196 1.00 0.00 H new ATOM 0 HA LYS A 367 27.781 23.182 28.994 1.00 0.00 H new ATOM 0 HB2 LYS A 367 26.941 25.552 27.257 1.00 0.00 H new ATOM 0 HB3 LYS A 367 28.561 25.206 27.828 1.00 0.00 H new ATOM 0 HG2 LYS A 367 27.688 22.801 26.573 1.00 0.00 H new ATOM 0 HG3 LYS A 367 27.150 24.088 25.513 1.00 0.00 H new ATOM 0 HD2 LYS A 367 30.002 23.736 26.576 1.00 0.00 H new ATOM 0 HD3 LYS A 367 29.474 23.381 24.943 1.00 0.00 H new ATOM 0 HE2 LYS A 367 28.563 26.020 25.387 1.00 0.00 H new ATOM 0 HE3 LYS A 367 30.136 25.987 26.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 30.322 26.549 23.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 31.087 25.064 24.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 29.562 25.097 23.368 1.00 0.00 H new HETATM 500 N NH2 A 368 27.662 25.318 30.570 1.00 0.00 N TER 503 NH2 A 368