USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 144 hydrogens (0 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 339 SER OG : rot -148:sc= -0.151 USER MOD Single : A 341 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 SER OG : rot -48:sc= 0.599 USER MOD Single : A 356 THR OG1 : rot -12:sc= 0.222! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 339 0.403 5.306 3.496 1.00 0.00 N ATOM 2 CA SER A 339 0.595 3.883 3.096 1.00 0.00 C ATOM 3 C SER A 339 1.887 3.751 2.287 1.00 0.00 C ATOM 4 O SER A 339 2.779 3.007 2.643 1.00 0.00 O ATOM 5 CB SER A 339 -0.591 3.427 2.245 1.00 0.00 C ATOM 6 OG SER A 339 -0.471 2.036 1.980 1.00 0.00 O ATOM 0 HA SER A 339 0.660 3.260 3.988 1.00 0.00 H new ATOM 0 HB2 SER A 339 -1.527 3.630 2.766 1.00 0.00 H new ATOM 0 HB3 SER A 339 -0.619 3.986 1.310 1.00 0.00 H new ATOM 0 HG SER A 339 -0.863 1.835 1.105 1.00 0.00 H new ATOM 14 N ASP A 340 1.995 4.468 1.201 1.00 0.00 N ATOM 15 CA ASP A 340 3.230 4.385 0.371 1.00 0.00 C ATOM 16 C ASP A 340 3.460 2.945 -0.070 1.00 0.00 C ATOM 17 O ASP A 340 2.539 2.233 -0.418 1.00 0.00 O ATOM 18 CB ASP A 340 4.431 4.870 1.189 1.00 0.00 C ATOM 19 CG ASP A 340 4.052 6.145 1.944 1.00 0.00 C ATOM 20 OD1 ASP A 340 3.427 7.002 1.342 1.00 0.00 O ATOM 21 OD2 ASP A 340 4.394 6.243 3.111 1.00 0.00 O ATOM 0 H ASP A 340 1.281 5.108 0.853 1.00 0.00 H new ATOM 0 HA ASP A 340 3.113 5.015 -0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 340 4.742 4.097 1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 340 5.279 5.062 0.531 1.00 0.00 H new ATOM 26 N LYS A 341 4.690 2.519 -0.079 1.00 0.00 N ATOM 27 CA LYS A 341 5.002 1.136 -0.520 1.00 0.00 C ATOM 28 C LYS A 341 4.880 0.162 0.635 1.00 0.00 C ATOM 29 O LYS A 341 5.543 0.249 1.649 1.00 0.00 O ATOM 30 CB LYS A 341 6.402 1.122 -1.117 1.00 0.00 C ATOM 31 CG LYS A 341 6.325 1.737 -2.516 1.00 0.00 C ATOM 32 CD LYS A 341 5.868 3.203 -2.416 1.00 0.00 C ATOM 33 CE LYS A 341 6.363 3.990 -3.634 1.00 0.00 C ATOM 34 NZ LYS A 341 5.800 5.369 -3.598 1.00 0.00 N ATOM 0 H LYS A 341 5.498 3.075 0.203 1.00 0.00 H new ATOM 0 HA LYS A 341 4.286 0.818 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 341 7.090 1.688 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 341 6.784 0.102 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 341 7.299 1.682 -3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 341 5.629 1.171 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 341 4.781 3.251 -2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 341 6.255 3.652 -1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 341 7.452 4.031 -3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 341 6.061 3.487 -4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 341 6.136 5.903 -4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 341 4.761 5.320 -3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 341 6.109 5.848 -2.728 1.00 0.00 H new ATOM 48 N GLU A 342 4.005 -0.772 0.442 1.00 0.00 N ATOM 49 CA GLU A 342 3.726 -1.835 1.447 1.00 0.00 C ATOM 50 C GLU A 342 3.937 -3.157 0.734 1.00 0.00 C ATOM 51 O GLU A 342 4.732 -3.990 1.123 1.00 0.00 O ATOM 52 CB GLU A 342 2.258 -1.729 1.926 1.00 0.00 C ATOM 53 CG GLU A 342 1.502 -0.730 1.058 1.00 0.00 C ATOM 54 CD GLU A 342 0.003 -0.817 1.353 1.00 0.00 C ATOM 55 OE1 GLU A 342 -0.346 -1.352 2.392 1.00 0.00 O ATOM 56 OE2 GLU A 342 -0.770 -0.348 0.534 1.00 0.00 O ATOM 0 H GLU A 342 3.445 -0.849 -0.407 1.00 0.00 H new ATOM 0 HA GLU A 342 4.375 -1.742 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 342 1.778 -2.706 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 342 2.228 -1.414 2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 342 1.862 0.280 1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 342 1.687 -0.937 0.004 1.00 0.00 H new ATOM 63 N VAL A 343 3.224 -3.319 -0.333 1.00 0.00 N ATOM 64 CA VAL A 343 3.340 -4.549 -1.149 1.00 0.00 C ATOM 65 C VAL A 343 4.607 -4.497 -1.932 1.00 0.00 C ATOM 66 O VAL A 343 4.800 -5.195 -2.907 1.00 0.00 O ATOM 67 CB VAL A 343 2.132 -4.649 -2.067 1.00 0.00 C ATOM 68 CG1 VAL A 343 2.045 -3.386 -2.927 1.00 0.00 C ATOM 69 CG2 VAL A 343 2.225 -5.901 -2.963 1.00 0.00 C ATOM 0 H VAL A 343 2.551 -2.637 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 343 3.365 -5.432 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 343 1.232 -4.738 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 343 1.180 -3.454 -3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 343 1.942 -2.513 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 343 2.951 -3.290 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 343 1.350 -5.951 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 343 3.126 -5.845 -3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 343 2.265 -6.793 -2.338 1.00 0.00 H new ATOM 79 N ASP A 344 5.472 -3.651 -1.524 1.00 0.00 N ATOM 80 CA ASP A 344 6.731 -3.517 -2.257 1.00 0.00 C ATOM 81 C ASP A 344 7.771 -2.860 -1.383 1.00 0.00 C ATOM 82 O ASP A 344 8.951 -3.127 -1.472 1.00 0.00 O ATOM 83 CB ASP A 344 6.359 -2.672 -3.431 1.00 0.00 C ATOM 84 CG ASP A 344 7.592 -2.309 -4.260 1.00 0.00 C ATOM 85 OD1 ASP A 344 8.382 -1.506 -3.791 1.00 0.00 O ATOM 86 OD2 ASP A 344 7.726 -2.841 -5.349 1.00 0.00 O ATOM 0 H ASP A 344 5.365 -3.042 -0.712 1.00 0.00 H new ATOM 0 HA ASP A 344 7.170 -4.466 -2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 344 5.642 -3.206 -4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 344 5.867 -1.762 -3.087 1.00 0.00 H new ATOM 91 N GLU A 345 7.310 -2.044 -0.517 1.00 0.00 N ATOM 92 CA GLU A 345 8.197 -1.352 0.439 1.00 0.00 C ATOM 93 C GLU A 345 9.334 -0.613 -0.277 1.00 0.00 C ATOM 94 O GLU A 345 9.794 -0.999 -1.331 1.00 0.00 O ATOM 95 CB GLU A 345 8.773 -2.395 1.372 1.00 0.00 C ATOM 96 CG GLU A 345 7.668 -3.360 1.803 1.00 0.00 C ATOM 97 CD GLU A 345 8.180 -4.251 2.937 1.00 0.00 C ATOM 98 OE1 GLU A 345 9.384 -4.303 3.124 1.00 0.00 O ATOM 99 OE2 GLU A 345 7.359 -4.866 3.598 1.00 0.00 O ATOM 0 H GLU A 345 6.321 -1.813 -0.420 1.00 0.00 H new ATOM 0 HA GLU A 345 7.622 -0.606 0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 345 9.574 -2.942 0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 345 9.212 -1.914 2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 345 6.792 -2.802 2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 345 7.356 -3.973 0.957 1.00 0.00 H new ATOM 106 N VAL A 346 9.791 0.453 0.316 1.00 0.00 N ATOM 107 CA VAL A 346 10.908 1.253 -0.281 1.00 0.00 C ATOM 108 C VAL A 346 11.773 1.799 0.846 1.00 0.00 C ATOM 109 O VAL A 346 12.756 2.481 0.638 1.00 0.00 O ATOM 110 CB VAL A 346 10.307 2.395 -1.133 1.00 0.00 C ATOM 111 CG1 VAL A 346 11.264 3.589 -1.213 1.00 0.00 C ATOM 112 CG2 VAL A 346 10.030 1.893 -2.554 1.00 0.00 C ATOM 0 H VAL A 346 9.436 0.813 1.202 1.00 0.00 H new ATOM 0 HA VAL A 346 11.530 0.634 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 346 9.380 2.714 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 346 10.814 4.376 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 346 11.457 3.969 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 346 12.203 3.273 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 346 9.607 2.702 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 346 10.962 1.556 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 346 9.324 1.063 -2.516 1.00 0.00 H new ATOM 122 N ASP A 347 11.408 1.495 2.034 1.00 0.00 N ATOM 123 CA ASP A 347 12.177 1.976 3.208 1.00 0.00 C ATOM 124 C ASP A 347 13.226 0.951 3.564 1.00 0.00 C ATOM 125 O ASP A 347 13.825 0.976 4.622 1.00 0.00 O ATOM 126 CB ASP A 347 11.200 2.147 4.360 1.00 0.00 C ATOM 127 CG ASP A 347 11.647 3.284 5.285 1.00 0.00 C ATOM 128 OD1 ASP A 347 11.910 4.364 4.781 1.00 0.00 O ATOM 129 OD2 ASP A 347 11.720 3.054 6.481 1.00 0.00 O ATOM 0 H ASP A 347 10.594 0.922 2.259 1.00 0.00 H new ATOM 0 HA ASP A 347 12.672 2.923 2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 347 10.204 2.359 3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 347 11.130 1.218 4.925 1.00 0.00 H new ATOM 134 N ALA A 348 13.456 0.081 2.665 1.00 0.00 N ATOM 135 CA ALA A 348 14.480 -0.964 2.847 1.00 0.00 C ATOM 136 C ALA A 348 15.459 -0.771 1.708 1.00 0.00 C ATOM 137 O ALA A 348 16.538 -1.318 1.682 1.00 0.00 O ATOM 138 CB ALA A 348 13.798 -2.315 2.768 1.00 0.00 C ATOM 0 H ALA A 348 12.964 0.039 1.773 1.00 0.00 H new ATOM 0 HA ALA A 348 14.995 -0.907 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.538 -3.104 2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 348 13.045 -2.389 3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.320 -2.425 1.795 1.00 0.00 H new ATOM 144 N ALA A 349 15.058 0.055 0.782 1.00 0.00 N ATOM 145 CA ALA A 349 15.899 0.388 -0.390 1.00 0.00 C ATOM 146 C ALA A 349 16.978 1.365 0.061 1.00 0.00 C ATOM 147 O ALA A 349 18.094 1.360 -0.417 1.00 0.00 O ATOM 148 CB ALA A 349 15.011 1.066 -1.425 1.00 0.00 C ATOM 0 H ALA A 349 14.153 0.525 0.795 1.00 0.00 H new ATOM 0 HA ALA A 349 16.358 -0.505 -0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 349 15.605 1.323 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 349 14.209 0.388 -1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 349 14.582 1.973 -0.998 1.00 0.00 H new ATOM 154 N LEU A 350 16.640 2.200 0.995 1.00 0.00 N ATOM 155 CA LEU A 350 17.610 3.180 1.516 1.00 0.00 C ATOM 156 C LEU A 350 18.649 2.416 2.332 1.00 0.00 C ATOM 157 O LEU A 350 19.667 2.946 2.732 1.00 0.00 O ATOM 158 CB LEU A 350 16.821 4.203 2.352 1.00 0.00 C ATOM 159 CG LEU A 350 16.736 3.808 3.823 1.00 0.00 C ATOM 160 CD1 LEU A 350 16.121 4.963 4.605 1.00 0.00 C ATOM 161 CD2 LEU A 350 15.852 2.576 3.956 1.00 0.00 C ATOM 0 H LEU A 350 15.716 2.242 1.424 1.00 0.00 H new ATOM 0 HA LEU A 350 18.140 3.721 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 350 17.296 5.181 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 350 15.814 4.301 1.946 1.00 0.00 H new ATOM 0 HG LEU A 350 17.730 3.586 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 350 16.054 4.694 5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 350 16.745 5.850 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 350 15.123 5.172 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 350 15.786 2.287 5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 350 14.855 2.801 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 350 16.281 1.756 3.380 1.00 0.00 H new ATOM 173 N SER A 351 18.381 1.161 2.568 1.00 0.00 N ATOM 174 CA SER A 351 19.325 0.302 3.353 1.00 0.00 C ATOM 175 C SER A 351 19.845 -0.752 2.414 1.00 0.00 C ATOM 176 O SER A 351 20.307 -1.809 2.795 1.00 0.00 O ATOM 177 CB SER A 351 18.573 -0.370 4.489 1.00 0.00 C ATOM 178 OG SER A 351 19.490 -1.082 5.308 1.00 0.00 O ATOM 0 H SER A 351 17.538 0.684 2.248 1.00 0.00 H new ATOM 0 HA SER A 351 20.138 0.896 3.770 1.00 0.00 H new ATOM 0 HB2 SER A 351 18.044 0.377 5.081 1.00 0.00 H new ATOM 0 HB3 SER A 351 17.821 -1.051 4.089 1.00 0.00 H new ATOM 0 HG SER A 351 20.074 -1.631 4.744 1.00 0.00 H new ATOM 184 N ASP A 352 19.710 -0.454 1.177 1.00 0.00 N ATOM 185 CA ASP A 352 20.107 -1.374 0.096 1.00 0.00 C ATOM 186 C ASP A 352 21.089 -0.670 -0.786 1.00 0.00 C ATOM 187 O ASP A 352 21.372 -1.050 -1.902 1.00 0.00 O ATOM 188 CB ASP A 352 18.838 -1.621 -0.660 1.00 0.00 C ATOM 189 CG ASP A 352 18.970 -2.845 -1.568 1.00 0.00 C ATOM 190 OD1 ASP A 352 19.828 -2.827 -2.434 1.00 0.00 O ATOM 191 OD2 ASP A 352 18.209 -3.780 -1.381 1.00 0.00 O ATOM 0 H ASP A 352 19.323 0.431 0.849 1.00 0.00 H new ATOM 0 HA ASP A 352 20.564 -2.297 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 352 18.016 -1.770 0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 352 18.591 -0.744 -1.259 1.00 0.00 H new ATOM 196 N LEU A 353 21.541 0.389 -0.274 1.00 0.00 N ATOM 197 CA LEU A 353 22.465 1.275 -0.966 1.00 0.00 C ATOM 198 C LEU A 353 23.729 1.318 -0.119 1.00 0.00 C ATOM 199 O LEU A 353 24.806 0.935 -0.511 1.00 0.00 O ATOM 200 CB LEU A 353 21.734 2.597 -0.954 1.00 0.00 C ATOM 201 CG LEU A 353 22.686 3.768 -0.962 1.00 0.00 C ATOM 202 CD1 LEU A 353 23.415 3.807 -2.293 1.00 0.00 C ATOM 203 CD2 LEU A 353 21.870 5.011 -0.763 1.00 0.00 C ATOM 0 H LEU A 353 21.294 0.706 0.664 1.00 0.00 H new ATOM 0 HA LEU A 353 22.746 0.988 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 353 21.078 2.657 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 353 21.098 2.652 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 353 23.430 3.684 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 353 24.105 4.651 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 353 23.973 2.881 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 353 22.692 3.918 -3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 353 22.527 5.881 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 353 21.145 5.103 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 353 21.345 4.953 0.190 1.00 0.00 H new ATOM 215 N GLU A 354 23.553 1.793 1.063 1.00 0.00 N ATOM 216 CA GLU A 354 24.653 1.902 2.028 1.00 0.00 C ATOM 217 C GLU A 354 25.273 0.548 2.219 1.00 0.00 C ATOM 218 O GLU A 354 26.427 0.393 2.558 1.00 0.00 O ATOM 219 CB GLU A 354 24.053 2.349 3.337 1.00 0.00 C ATOM 220 CG GLU A 354 22.924 1.396 3.701 1.00 0.00 C ATOM 221 CD GLU A 354 22.184 1.926 4.930 1.00 0.00 C ATOM 222 OE1 GLU A 354 21.541 2.956 4.811 1.00 0.00 O ATOM 223 OE2 GLU A 354 22.273 1.294 5.969 1.00 0.00 O ATOM 0 H GLU A 354 22.654 2.124 1.413 1.00 0.00 H new ATOM 0 HA GLU A 354 25.411 2.603 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 354 24.812 2.354 4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 354 23.676 3.368 3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 354 22.234 1.296 2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 354 23.324 0.403 3.905 1.00 0.00 H new ATOM 230 N ILE A 355 24.460 -0.418 2.047 1.00 0.00 N ATOM 231 CA ILE A 355 24.853 -1.805 2.238 1.00 0.00 C ATOM 232 C ILE A 355 25.669 -2.291 1.073 1.00 0.00 C ATOM 233 O ILE A 355 26.386 -3.270 1.134 1.00 0.00 O ATOM 234 CB ILE A 355 23.535 -2.593 2.341 1.00 0.00 C ATOM 235 CG1 ILE A 355 23.750 -3.758 3.256 1.00 0.00 C ATOM 236 CG2 ILE A 355 23.033 -3.099 0.985 1.00 0.00 C ATOM 237 CD1 ILE A 355 23.911 -3.292 4.719 1.00 0.00 C ATOM 0 H ILE A 355 23.487 -0.295 1.767 1.00 0.00 H new ATOM 0 HA ILE A 355 25.471 -1.930 3.127 1.00 0.00 H new ATOM 0 HB ILE A 355 22.773 -1.917 2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 355 22.907 -4.445 3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 355 24.638 -4.309 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 355 22.101 -3.647 1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 355 22.861 -2.252 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 355 23.780 -3.759 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 355 24.066 -4.158 5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 355 24.770 -2.625 4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 355 23.011 -2.763 5.033 1.00 0.00 H new ATOM 249 N THR A 356 25.486 -1.629 0.005 1.00 0.00 N ATOM 250 CA THR A 356 26.150 -2.010 -1.278 1.00 0.00 C ATOM 251 C THR A 356 27.072 -0.912 -1.809 1.00 0.00 C ATOM 252 O THR A 356 27.857 -1.125 -2.711 1.00 0.00 O ATOM 253 CB THR A 356 25.054 -2.256 -2.292 1.00 0.00 C ATOM 254 OG1 THR A 356 25.620 -2.449 -3.582 1.00 0.00 O ATOM 255 CG2 THR A 356 24.127 -1.045 -2.298 1.00 0.00 C ATOM 0 H THR A 356 24.887 -0.806 -0.059 1.00 0.00 H new ATOM 0 HA THR A 356 26.766 -2.893 -1.105 1.00 0.00 H new ATOM 0 HB THR A 356 24.492 -3.152 -2.029 1.00 0.00 H new ATOM 0 HG1 THR A 356 26.566 -2.195 -3.565 1.00 0.00 H new ATOM 0 HG21 THR A 356 23.328 -1.202 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 356 23.695 -0.912 -1.306 1.00 0.00 H new ATOM 0 HG23 THR A 356 24.694 -0.154 -2.569 1.00 0.00 H new ATOM 263 N LEU A 357 26.986 0.244 -1.252 1.00 0.00 N ATOM 264 CA LEU A 357 27.851 1.377 -1.692 1.00 0.00 C ATOM 265 C LEU A 357 29.052 1.342 -0.772 1.00 0.00 C ATOM 266 O LEU A 357 29.803 2.277 -0.597 1.00 0.00 O ATOM 267 CB LEU A 357 27.053 2.676 -1.526 1.00 0.00 C ATOM 268 CG LEU A 357 27.921 3.917 -1.784 1.00 0.00 C ATOM 269 CD1 LEU A 357 28.806 3.711 -3.018 1.00 0.00 C ATOM 270 CD2 LEU A 357 27.013 5.129 -2.020 1.00 0.00 C ATOM 0 H LEU A 357 26.343 0.469 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 357 28.167 1.311 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 357 26.208 2.674 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 357 26.642 2.723 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 357 28.558 4.083 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 357 29.413 4.601 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 357 29.458 2.852 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 357 28.178 3.533 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 357 27.625 6.012 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 357 26.376 4.943 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 357 26.392 5.295 -1.140 1.00 0.00 H new ATOM 282 N GLU A 358 29.183 0.224 -0.157 1.00 0.00 N ATOM 283 CA GLU A 358 30.260 -0.023 0.826 1.00 0.00 C ATOM 284 C GLU A 358 31.280 -1.005 0.238 1.00 0.00 C ATOM 285 O GLU A 358 31.986 -1.630 1.012 1.00 0.00 O ATOM 286 CB GLU A 358 29.607 -0.621 2.079 1.00 0.00 C ATOM 287 CG GLU A 358 28.448 -1.525 1.667 1.00 0.00 C ATOM 288 CD GLU A 358 28.955 -2.627 0.735 1.00 0.00 C ATOM 289 OE1 GLU A 358 29.096 -2.357 -0.447 1.00 0.00 O ATOM 290 OE2 GLU A 358 29.193 -3.722 1.218 1.00 0.00 O ATOM 291 OXT GLU A 358 31.335 -1.113 -0.976 1.00 0.00 O ATOM 0 H GLU A 358 28.560 -0.572 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 358 30.783 0.901 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 358 30.342 -1.190 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 358 29.247 0.176 2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 358 27.988 -1.967 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 358 27.678 -0.938 1.166 1.00 0.00 H new TER 298 GLU A 358