USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 337 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 Set 1.1: A 368 GLN :FLIP amide:sc= 0.32 F(o=-1.6,f=-0.97) USER MOD Set 1.2: A 371 ASN :FLIP amide:sc= -1.29 F(o=-2.5!,f=-0.97) USER MOD Single : A 349 SER OG : rot 95:sc= 0.0725 USER MOD Single : A 350 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 355 THR OG1 : rot 180:sc= 0 USER MOD Single : A 357 THR OG1 : rot 180:sc= 0 USER MOD Single : A 361 MET CE :methyl -151:sc= -0.35 (180deg=-2.08!) USER MOD Single : A 363 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 380 ASN : amide:sc= -3.54! C(o=-3.5!,f=-4.8!) USER MOD Single : A 381 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 -27.092 5.318 -10.034 1.00 0.00 N ATOM 2 CA GLY A 345 -27.795 5.041 -11.319 1.00 0.00 C ATOM 3 C GLY A 345 -27.966 6.341 -12.097 1.00 0.00 C ATOM 4 O GLY A 345 -27.040 6.810 -12.756 1.00 0.00 O ATOM 0 HA2 GLY A 345 -27.225 4.324 -11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 345 -28.768 4.591 -11.123 1.00 0.00 H new ATOM 8 N PRO A 346 -29.132 6.923 -12.026 1.00 0.00 N ATOM 9 CA PRO A 346 -29.442 8.197 -12.736 1.00 0.00 C ATOM 10 C PRO A 346 -28.759 9.399 -12.085 1.00 0.00 C ATOM 11 O PRO A 346 -28.243 9.303 -10.971 1.00 0.00 O ATOM 12 CB PRO A 346 -30.963 8.312 -12.629 1.00 0.00 C ATOM 13 CG PRO A 346 -31.338 7.524 -11.418 1.00 0.00 C ATOM 14 CD PRO A 346 -30.285 6.426 -11.261 1.00 0.00 C ATOM 0 HA PRO A 346 -29.082 8.189 -13.765 1.00 0.00 H new ATOM 0 HB2 PRO A 346 -31.272 9.353 -12.531 1.00 0.00 H new ATOM 0 HB3 PRO A 346 -31.450 7.917 -13.521 1.00 0.00 H new ATOM 0 HG2 PRO A 346 -31.365 8.162 -10.535 1.00 0.00 H new ATOM 0 HG3 PRO A 346 -32.333 7.092 -11.530 1.00 0.00 H new ATOM 0 HD2 PRO A 346 -30.029 6.266 -10.214 1.00 0.00 H new ATOM 0 HD3 PRO A 346 -30.642 5.473 -11.652 1.00 0.00 H new ATOM 22 N LEU A 347 -28.759 10.525 -12.788 1.00 0.00 N ATOM 23 CA LEU A 347 -28.136 11.739 -12.269 1.00 0.00 C ATOM 24 C LEU A 347 -26.793 11.415 -11.621 1.00 0.00 C ATOM 25 O LEU A 347 -26.262 10.318 -11.785 1.00 0.00 O ATOM 26 CB LEU A 347 -29.056 12.399 -11.241 1.00 0.00 C ATOM 27 CG LEU A 347 -30.083 13.274 -11.961 1.00 0.00 C ATOM 28 CD1 LEU A 347 -29.386 14.505 -12.543 1.00 0.00 C ATOM 29 CD2 LEU A 347 -30.728 12.472 -13.093 1.00 0.00 C ATOM 0 H LEU A 347 -29.180 10.624 -13.712 1.00 0.00 H new ATOM 0 HA LEU A 347 -27.970 12.425 -13.100 1.00 0.00 H new ATOM 0 HB2 LEU A 347 -29.563 11.637 -10.649 1.00 0.00 H new ATOM 0 HB3 LEU A 347 -28.470 13.003 -10.548 1.00 0.00 H new ATOM 0 HG LEU A 347 -30.850 13.591 -11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 347 -30.118 15.129 -13.056 1.00 0.00 H new ATOM 0 HD12 LEU A 347 -28.924 15.076 -11.738 1.00 0.00 H new ATOM 0 HD13 LEU A 347 -28.619 14.189 -13.250 1.00 0.00 H new ATOM 0 HD21 LEU A 347 -31.461 13.094 -13.608 1.00 0.00 H new ATOM 0 HD22 LEU A 347 -29.960 12.156 -13.799 1.00 0.00 H new ATOM 0 HD23 LEU A 347 -31.224 11.594 -12.680 1.00 0.00 H new ATOM 41 N GLY A 348 -26.252 12.379 -10.883 1.00 0.00 N ATOM 42 CA GLY A 348 -24.970 12.187 -10.214 1.00 0.00 C ATOM 43 C GLY A 348 -25.169 11.659 -8.796 1.00 0.00 C ATOM 44 O GLY A 348 -25.493 12.415 -7.882 1.00 0.00 O ATOM 0 H GLY A 348 -26.677 13.294 -10.734 1.00 0.00 H new ATOM 0 HA2 GLY A 348 -24.359 11.487 -10.784 1.00 0.00 H new ATOM 0 HA3 GLY A 348 -24.427 13.132 -10.182 1.00 0.00 H new ATOM 48 N SER A 349 -24.974 10.355 -8.625 1.00 0.00 N ATOM 49 CA SER A 349 -25.135 9.736 -7.314 1.00 0.00 C ATOM 50 C SER A 349 -23.867 8.985 -6.916 1.00 0.00 C ATOM 51 O SER A 349 -22.780 9.276 -7.415 1.00 0.00 O ATOM 52 CB SER A 349 -26.318 8.767 -7.336 1.00 0.00 C ATOM 53 OG SER A 349 -27.456 9.428 -7.875 1.00 0.00 O ATOM 0 H SER A 349 -24.707 9.712 -9.370 1.00 0.00 H new ATOM 0 HA SER A 349 -25.323 10.522 -6.583 1.00 0.00 H new ATOM 0 HB2 SER A 349 -26.074 7.890 -7.936 1.00 0.00 H new ATOM 0 HB3 SER A 349 -26.532 8.413 -6.327 1.00 0.00 H new ATOM 0 HG SER A 349 -27.516 9.246 -8.836 1.00 0.00 H new ATOM 59 N MET A 350 -24.017 8.019 -6.016 1.00 0.00 N ATOM 60 CA MET A 350 -22.876 7.234 -5.559 1.00 0.00 C ATOM 61 C MET A 350 -23.028 5.775 -5.977 1.00 0.00 C ATOM 62 O MET A 350 -23.531 4.948 -5.216 1.00 0.00 O ATOM 63 CB MET A 350 -22.760 7.320 -4.035 1.00 0.00 C ATOM 64 CG MET A 350 -24.062 6.837 -3.394 1.00 0.00 C ATOM 65 SD MET A 350 -24.342 7.731 -1.847 1.00 0.00 S ATOM 66 CE MET A 350 -25.945 8.446 -2.283 1.00 0.00 C ATOM 0 H MET A 350 -24.908 7.762 -5.592 1.00 0.00 H new ATOM 0 HA MET A 350 -21.973 7.639 -6.016 1.00 0.00 H new ATOM 0 HB2 MET A 350 -21.925 6.711 -3.689 1.00 0.00 H new ATOM 0 HB3 MET A 350 -22.553 8.347 -3.733 1.00 0.00 H new ATOM 0 HG2 MET A 350 -24.897 6.999 -4.076 1.00 0.00 H new ATOM 0 HG3 MET A 350 -24.010 5.765 -3.202 1.00 0.00 H new ATOM 0 HE1 MET A 350 -26.312 9.050 -1.453 1.00 0.00 H new ATOM 0 HE2 MET A 350 -25.835 9.073 -3.168 1.00 0.00 H new ATOM 0 HE3 MET A 350 -26.656 7.646 -2.491 1.00 0.00 H new ATOM 76 N PRO A 351 -22.603 5.453 -7.168 1.00 0.00 N ATOM 77 CA PRO A 351 -22.688 4.067 -7.709 1.00 0.00 C ATOM 78 C PRO A 351 -21.678 3.129 -7.050 1.00 0.00 C ATOM 79 O PRO A 351 -20.496 3.136 -7.394 1.00 0.00 O ATOM 80 CB PRO A 351 -22.385 4.238 -9.199 1.00 0.00 C ATOM 81 CG PRO A 351 -21.572 5.488 -9.297 1.00 0.00 C ATOM 82 CD PRO A 351 -21.994 6.383 -8.131 1.00 0.00 C ATOM 0 HA PRO A 351 -23.660 3.613 -7.519 1.00 0.00 H new ATOM 0 HB2 PRO A 351 -21.836 3.381 -9.589 1.00 0.00 H new ATOM 0 HB3 PRO A 351 -23.304 4.320 -9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 351 -20.507 5.261 -9.245 1.00 0.00 H new ATOM 0 HG3 PRO A 351 -21.745 5.988 -10.250 1.00 0.00 H new ATOM 0 HD2 PRO A 351 -21.139 6.903 -7.698 1.00 0.00 H new ATOM 0 HD3 PRO A 351 -22.703 7.147 -8.451 1.00 0.00 H new ATOM 90 N LEU A 352 -22.152 2.327 -6.104 1.00 0.00 N ATOM 91 CA LEU A 352 -21.281 1.389 -5.405 1.00 0.00 C ATOM 92 C LEU A 352 -19.951 2.049 -5.059 1.00 0.00 C ATOM 93 O LEU A 352 -19.009 2.024 -5.854 1.00 0.00 O ATOM 94 CB LEU A 352 -21.032 0.157 -6.278 1.00 0.00 C ATOM 95 CG LEU A 352 -19.980 -0.733 -5.615 1.00 0.00 C ATOM 96 CD1 LEU A 352 -20.664 -1.946 -4.983 1.00 0.00 C ATOM 97 CD2 LEU A 352 -18.977 -1.207 -6.669 1.00 0.00 C ATOM 0 H LEU A 352 -23.127 2.307 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 352 -21.773 1.085 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 352 -21.960 -0.398 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -20.694 0.462 -7.268 1.00 0.00 H new ATOM 0 HG LEU A 352 -19.458 -0.166 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -19.915 -2.581 -4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 352 -21.380 -1.610 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -21.185 -2.513 -5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -18.226 -1.842 -6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -19.499 -1.774 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -18.490 -0.344 -7.122 1.00 0.00 H new ATOM 109 N LEU A 353 -19.879 2.638 -3.871 1.00 0.00 N ATOM 110 CA LEU A 353 -18.657 3.302 -3.431 1.00 0.00 C ATOM 111 C LEU A 353 -17.832 2.373 -2.550 1.00 0.00 C ATOM 112 O LEU A 353 -17.040 2.822 -1.721 1.00 0.00 O ATOM 113 CB LEU A 353 -19.004 4.568 -2.651 1.00 0.00 C ATOM 114 CG LEU A 353 -18.416 5.788 -3.365 1.00 0.00 C ATOM 115 CD1 LEU A 353 -19.039 7.063 -2.797 1.00 0.00 C ATOM 116 CD2 LEU A 353 -16.901 5.822 -3.147 1.00 0.00 C ATOM 0 H LEU A 353 -20.646 2.670 -3.199 1.00 0.00 H new ATOM 0 HA LEU A 353 -18.072 3.566 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 353 -20.086 4.670 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 353 -18.610 4.502 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 353 -18.631 5.723 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 353 -18.620 7.931 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 353 -20.118 7.040 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 353 -18.824 7.129 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 353 -16.480 6.690 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 353 -16.688 5.887 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 353 -16.455 4.913 -3.551 1.00 0.00 H new ATOM 128 N GLU A 354 -18.028 1.077 -2.738 1.00 0.00 N ATOM 129 CA GLU A 354 -17.302 0.080 -1.960 1.00 0.00 C ATOM 130 C GLU A 354 -15.910 -0.146 -2.544 1.00 0.00 C ATOM 131 O GLU A 354 -15.310 -1.203 -2.349 1.00 0.00 O ATOM 132 CB GLU A 354 -18.074 -1.241 -1.951 1.00 0.00 C ATOM 133 CG GLU A 354 -19.010 -1.276 -0.743 1.00 0.00 C ATOM 134 CD GLU A 354 -18.212 -1.078 0.542 1.00 0.00 C ATOM 135 OE1 GLU A 354 -18.323 -0.012 1.127 1.00 0.00 O ATOM 136 OE2 GLU A 354 -17.502 -1.994 0.921 1.00 0.00 O ATOM 0 H GLU A 354 -18.681 0.690 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 354 -17.201 0.448 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 354 -18.647 -1.346 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 354 -17.380 -2.080 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 354 -19.766 -0.496 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 354 -19.538 -2.229 -0.709 1.00 0.00 H new ATOM 143 N THR A 355 -15.405 0.852 -3.261 1.00 0.00 N ATOM 144 CA THR A 355 -14.084 0.751 -3.868 1.00 0.00 C ATOM 145 C THR A 355 -13.166 1.850 -3.342 1.00 0.00 C ATOM 146 O THR A 355 -13.541 2.611 -2.452 1.00 0.00 O ATOM 147 CB THR A 355 -14.199 0.863 -5.390 1.00 0.00 C ATOM 148 OG1 THR A 355 -15.484 1.363 -5.732 1.00 0.00 O ATOM 149 CG2 THR A 355 -14.001 -0.516 -6.022 1.00 0.00 C ATOM 0 H THR A 355 -15.887 1.734 -3.435 1.00 0.00 H new ATOM 0 HA THR A 355 -13.658 -0.217 -3.606 1.00 0.00 H new ATOM 0 HB THR A 355 -13.434 1.544 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 355 -15.558 1.437 -6.706 1.00 0.00 H new ATOM 0 HG21 THR A 355 -14.083 -0.435 -7.106 1.00 0.00 H new ATOM 0 HG22 THR A 355 -13.014 -0.898 -5.761 1.00 0.00 H new ATOM 0 HG23 THR A 355 -14.764 -1.200 -5.651 1.00 0.00 H new ATOM 157 N LEU A 356 -11.963 1.927 -3.902 1.00 0.00 N ATOM 158 CA LEU A 356 -10.999 2.937 -3.484 1.00 0.00 C ATOM 159 C LEU A 356 -10.792 3.969 -4.584 1.00 0.00 C ATOM 160 O LEU A 356 -11.608 4.091 -5.498 1.00 0.00 O ATOM 161 CB LEU A 356 -9.666 2.274 -3.147 1.00 0.00 C ATOM 162 CG LEU A 356 -9.918 0.988 -2.357 1.00 0.00 C ATOM 163 CD1 LEU A 356 -8.673 0.102 -2.416 1.00 0.00 C ATOM 164 CD2 LEU A 356 -10.226 1.339 -0.899 1.00 0.00 C ATOM 0 H LEU A 356 -11.634 1.306 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 356 -11.389 3.441 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 356 -9.118 2.049 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 356 -9.046 2.955 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 356 -10.764 0.454 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 356 -8.852 -0.814 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 356 -8.452 -0.147 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 356 -7.827 0.635 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 356 -10.406 0.424 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 356 -9.379 1.872 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 356 -11.113 1.972 -0.857 1.00 0.00 H new ATOM 176 N THR A 357 -9.696 4.708 -4.487 1.00 0.00 N ATOM 177 CA THR A 357 -9.384 5.731 -5.478 1.00 0.00 C ATOM 178 C THR A 357 -7.932 5.613 -5.931 1.00 0.00 C ATOM 179 O THR A 357 -7.276 4.600 -5.686 1.00 0.00 O ATOM 180 CB THR A 357 -9.624 7.122 -4.887 1.00 0.00 C ATOM 181 OG1 THR A 357 -9.221 7.131 -3.525 1.00 0.00 O ATOM 182 CG2 THR A 357 -11.109 7.470 -4.984 1.00 0.00 C ATOM 0 H THR A 357 -9.010 4.620 -3.737 1.00 0.00 H new ATOM 0 HA THR A 357 -10.035 5.585 -6.340 1.00 0.00 H new ATOM 0 HB THR A 357 -9.044 7.859 -5.443 1.00 0.00 H new ATOM 0 HG1 THR A 357 -9.372 8.022 -3.145 1.00 0.00 H new ATOM 0 HG21 THR A 357 -11.279 8.461 -4.563 1.00 0.00 H new ATOM 0 HG22 THR A 357 -11.417 7.463 -6.030 1.00 0.00 H new ATOM 0 HG23 THR A 357 -11.692 6.735 -4.429 1.00 0.00 H new ATOM 190 N ASP A 358 -7.436 6.654 -6.593 1.00 0.00 N ATOM 191 CA ASP A 358 -6.059 6.655 -7.075 1.00 0.00 C ATOM 192 C ASP A 358 -5.086 6.819 -5.915 1.00 0.00 C ATOM 193 O ASP A 358 -3.936 6.389 -5.987 1.00 0.00 O ATOM 194 CB ASP A 358 -5.857 7.789 -8.082 1.00 0.00 C ATOM 195 CG ASP A 358 -4.379 7.917 -8.430 1.00 0.00 C ATOM 196 OD1 ASP A 358 -3.705 6.902 -8.453 1.00 0.00 O ATOM 197 OD2 ASP A 358 -3.941 9.032 -8.668 1.00 0.00 O ATOM 0 H ASP A 358 -7.962 7.501 -6.807 1.00 0.00 H new ATOM 0 HA ASP A 358 -5.864 5.700 -7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 358 -6.436 7.593 -8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 358 -6.224 8.727 -7.665 1.00 0.00 H new ATOM 202 N ALA A 359 -5.559 7.446 -4.848 1.00 0.00 N ATOM 203 CA ALA A 359 -4.728 7.670 -3.671 1.00 0.00 C ATOM 204 C ALA A 359 -4.416 6.347 -2.978 1.00 0.00 C ATOM 205 O ALA A 359 -3.263 6.063 -2.653 1.00 0.00 O ATOM 206 CB ALA A 359 -5.445 8.603 -2.693 1.00 0.00 C ATOM 0 H ALA A 359 -6.510 7.808 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 359 -3.794 8.130 -3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -4.817 8.764 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -5.642 9.558 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.388 8.152 -2.385 1.00 0.00 H new ATOM 212 N GLU A 360 -5.450 5.543 -2.756 1.00 0.00 N ATOM 213 CA GLU A 360 -5.276 4.253 -2.101 1.00 0.00 C ATOM 214 C GLU A 360 -4.330 3.366 -2.904 1.00 0.00 C ATOM 215 O GLU A 360 -3.427 2.741 -2.349 1.00 0.00 O ATOM 216 CB GLU A 360 -6.627 3.559 -1.953 1.00 0.00 C ATOM 217 CG GLU A 360 -7.274 3.978 -0.632 1.00 0.00 C ATOM 218 CD GLU A 360 -7.788 2.749 0.109 1.00 0.00 C ATOM 219 OE1 GLU A 360 -8.262 2.909 1.222 1.00 0.00 O ATOM 220 OE2 GLU A 360 -7.699 1.666 -0.445 1.00 0.00 O ATOM 0 H GLU A 360 -6.411 5.760 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.844 4.423 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.276 3.822 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.497 2.477 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.549 4.508 -0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.096 4.668 -0.823 1.00 0.00 H new ATOM 227 N MET A 361 -4.545 3.314 -4.215 1.00 0.00 N ATOM 228 CA MET A 361 -3.707 2.498 -5.085 1.00 0.00 C ATOM 229 C MET A 361 -2.259 2.980 -5.038 1.00 0.00 C ATOM 230 O MET A 361 -1.332 2.179 -4.909 1.00 0.00 O ATOM 231 CB MET A 361 -4.223 2.569 -6.523 1.00 0.00 C ATOM 232 CG MET A 361 -3.407 3.597 -7.310 1.00 0.00 C ATOM 233 SD MET A 361 -3.952 3.605 -9.037 1.00 0.00 S ATOM 234 CE MET A 361 -3.542 1.882 -9.411 1.00 0.00 C ATOM 0 H MET A 361 -5.287 3.823 -4.695 1.00 0.00 H new ATOM 0 HA MET A 361 -3.747 1.466 -4.735 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.147 1.590 -6.996 1.00 0.00 H new ATOM 0 HB3 MET A 361 -5.277 2.845 -6.529 1.00 0.00 H new ATOM 0 HG2 MET A 361 -3.532 4.588 -6.873 1.00 0.00 H new ATOM 0 HG3 MET A 361 -2.346 3.355 -7.253 1.00 0.00 H new ATOM 0 HE1 MET A 361 -3.301 1.787 -10.470 1.00 0.00 H new ATOM 0 HE2 MET A 361 -2.683 1.575 -8.815 1.00 0.00 H new ATOM 0 HE3 MET A 361 -4.394 1.245 -9.174 1.00 0.00 H new ATOM 244 N GLU A 362 -2.074 4.291 -5.141 1.00 0.00 N ATOM 245 CA GLU A 362 -0.736 4.870 -5.107 1.00 0.00 C ATOM 246 C GLU A 362 -0.126 4.721 -3.718 1.00 0.00 C ATOM 247 O GLU A 362 1.093 4.613 -3.573 1.00 0.00 O ATOM 248 CB GLU A 362 -0.795 6.350 -5.486 1.00 0.00 C ATOM 249 CG GLU A 362 -0.702 6.493 -7.007 1.00 0.00 C ATOM 250 CD GLU A 362 0.726 6.226 -7.468 1.00 0.00 C ATOM 251 OE1 GLU A 362 1.637 6.516 -6.709 1.00 0.00 O ATOM 252 OE2 GLU A 362 0.890 5.736 -8.572 1.00 0.00 O ATOM 0 H GLU A 362 -2.828 4.969 -5.248 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.112 4.339 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.724 6.792 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 362 0.022 6.891 -5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -1.385 5.794 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -1.008 7.495 -7.306 1.00 0.00 H new ATOM 259 N LYS A 363 -0.978 4.719 -2.699 1.00 0.00 N ATOM 260 CA LYS A 363 -0.512 4.583 -1.325 1.00 0.00 C ATOM 261 C LYS A 363 0.090 3.201 -1.097 1.00 0.00 C ATOM 262 O LYS A 363 1.195 3.074 -0.568 1.00 0.00 O ATOM 263 CB LYS A 363 -1.675 4.802 -0.354 1.00 0.00 C ATOM 264 CG LYS A 363 -1.294 5.873 0.668 1.00 0.00 C ATOM 265 CD LYS A 363 -0.660 5.208 1.893 1.00 0.00 C ATOM 266 CE LYS A 363 0.854 5.425 1.867 1.00 0.00 C ATOM 267 NZ LYS A 363 1.190 6.667 2.621 1.00 0.00 N ATOM 0 H LYS A 363 -1.989 4.809 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 363 0.256 5.335 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.567 5.108 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.918 3.869 0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.596 6.582 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.177 6.438 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.082 5.627 2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.885 4.141 1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 363 1.363 4.569 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 363 1.203 5.506 0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 2.219 6.816 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 0.715 7.480 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 0.870 6.572 3.606 1.00 0.00 H new ATOM 281 N LYS A 364 -0.643 2.169 -1.499 1.00 0.00 N ATOM 282 CA LYS A 364 -0.171 0.799 -1.334 1.00 0.00 C ATOM 283 C LYS A 364 1.039 0.537 -2.224 1.00 0.00 C ATOM 284 O LYS A 364 2.073 0.058 -1.759 1.00 0.00 O ATOM 285 CB LYS A 364 -1.289 -0.185 -1.687 1.00 0.00 C ATOM 286 CG LYS A 364 -2.479 0.037 -0.754 1.00 0.00 C ATOM 287 CD LYS A 364 -3.739 -0.566 -1.379 1.00 0.00 C ATOM 288 CE LYS A 364 -4.335 -1.604 -0.427 1.00 0.00 C ATOM 289 NZ LYS A 364 -4.818 -2.777 -1.209 1.00 0.00 N ATOM 0 H LYS A 364 -1.560 2.253 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 364 0.121 0.659 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -1.596 -0.046 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -0.928 -1.209 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -2.285 -0.423 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -2.622 1.103 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -4.468 0.218 -1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -3.497 -1.030 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -3.585 -1.921 0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -5.158 -1.165 0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -5.223 -3.483 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -5.546 -2.468 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -4.022 -3.200 -1.728 1.00 0.00 H new ATOM 303 N ILE A 365 0.904 0.857 -3.508 1.00 0.00 N ATOM 304 CA ILE A 365 1.994 0.653 -4.455 1.00 0.00 C ATOM 305 C ILE A 365 3.230 1.436 -4.026 1.00 0.00 C ATOM 306 O ILE A 365 4.345 0.915 -4.043 1.00 0.00 O ATOM 307 CB ILE A 365 1.562 1.098 -5.850 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.527 0.114 -6.400 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.779 1.127 -6.777 1.00 0.00 C ATOM 310 CD1 ILE A 365 0.408 0.292 -7.914 1.00 0.00 C ATOM 0 H ILE A 365 0.057 1.256 -3.914 1.00 0.00 H new ATOM 0 HA ILE A 365 2.241 -0.408 -4.474 1.00 0.00 H new ATOM 0 HB ILE A 365 1.124 2.095 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 365 0.822 -0.909 -6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.440 0.284 -5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.470 1.445 -7.773 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.518 1.826 -6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.217 0.131 -6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 365 -0.329 -0.409 -8.306 1.00 0.00 H new ATOM 0 HD12 ILE A 365 0.094 1.312 -8.137 1.00 0.00 H new ATOM 0 HD13 ILE A 365 1.375 0.100 -8.380 1.00 0.00 H new ATOM 322 N ARG A 366 3.024 2.692 -3.644 1.00 0.00 N ATOM 323 CA ARG A 366 4.129 3.541 -3.213 1.00 0.00 C ATOM 324 C ARG A 366 4.813 2.947 -1.987 1.00 0.00 C ATOM 325 O ARG A 366 6.040 2.903 -1.909 1.00 0.00 O ATOM 326 CB ARG A 366 3.612 4.944 -2.884 1.00 0.00 C ATOM 327 CG ARG A 366 3.326 5.700 -4.183 1.00 0.00 C ATOM 328 CD ARG A 366 2.537 6.972 -3.869 1.00 0.00 C ATOM 329 NE ARG A 366 2.938 7.507 -2.574 1.00 0.00 N ATOM 330 CZ ARG A 366 2.702 8.775 -2.250 1.00 0.00 C ATOM 331 NH1 ARG A 366 2.103 9.564 -3.101 1.00 0.00 N ATOM 332 NH2 ARG A 366 3.071 9.231 -1.085 1.00 0.00 N ATOM 0 H ARG A 366 2.109 3.142 -3.624 1.00 0.00 H new ATOM 0 HA ARG A 366 4.854 3.603 -4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 366 2.705 4.877 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 366 4.349 5.485 -2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 366 4.261 5.953 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 366 2.760 5.068 -4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 366 2.708 7.716 -4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 366 1.469 6.755 -3.866 1.00 0.00 H new ATOM 0 HE ARG A 366 3.408 6.898 -1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 366 1.817 9.207 -4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 366 1.921 10.537 -2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 366 3.541 8.615 -0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 366 2.890 10.204 -0.837 1.00 0.00 H new ATOM 346 N ASP A 367 4.009 2.493 -1.032 1.00 0.00 N ATOM 347 CA ASP A 367 4.546 1.903 0.188 1.00 0.00 C ATOM 348 C ASP A 367 5.328 0.633 -0.130 1.00 0.00 C ATOM 349 O ASP A 367 6.433 0.429 0.371 1.00 0.00 O ATOM 350 CB ASP A 367 3.407 1.574 1.155 1.00 0.00 C ATOM 351 CG ASP A 367 3.802 1.959 2.577 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.477 1.170 3.218 1.00 0.00 O ATOM 353 OD2 ASP A 367 3.425 3.037 3.004 1.00 0.00 O ATOM 0 H ASP A 367 2.990 2.522 -1.078 1.00 0.00 H new ATOM 0 HA ASP A 367 5.219 2.624 0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.504 2.110 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 367 3.176 0.510 1.109 1.00 0.00 H new ATOM 358 N GLN A 368 4.745 -0.219 -0.968 1.00 0.00 N ATOM 359 CA GLN A 368 5.397 -1.468 -1.348 1.00 0.00 C ATOM 360 C GLN A 368 6.652 -1.188 -2.166 1.00 0.00 C ATOM 361 O GLN A 368 7.592 -1.981 -2.174 1.00 0.00 O ATOM 362 CB GLN A 368 4.436 -2.335 -2.161 1.00 0.00 C ATOM 363 CG GLN A 368 4.276 -3.697 -1.480 1.00 0.00 C ATOM 364 CD GLN A 368 5.169 -4.727 -2.161 1.00 0.00 C ATOM 365 OE1 GLN A 368 4.902 -5.102 -3.382 1.00 0.00 O flip ATOM 366 NE2 GLN A 368 6.136 -5.203 -1.567 1.00 0.00 N flip ATOM 0 H GLN A 368 3.830 -0.070 -1.394 1.00 0.00 H new ATOM 0 HA GLN A 368 5.680 -1.999 -0.439 1.00 0.00 H new ATOM 0 HB2 GLN A 368 3.467 -1.842 -2.245 1.00 0.00 H new ATOM 0 HB3 GLN A 368 4.816 -2.466 -3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 368 4.537 -3.618 -0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 368 3.235 -4.017 -1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 368 6.344 -4.909 -0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 368 6.730 -5.892 -2.029 1.00 0.00 H new ATOM 375 N ASP A 369 6.655 -0.053 -2.852 1.00 0.00 N ATOM 376 CA ASP A 369 7.797 0.329 -3.674 1.00 0.00 C ATOM 377 C ASP A 369 8.945 0.815 -2.798 1.00 0.00 C ATOM 378 O ASP A 369 10.111 0.519 -3.060 1.00 0.00 O ATOM 379 CB ASP A 369 7.395 1.434 -4.651 1.00 0.00 C ATOM 380 CG ASP A 369 6.715 0.827 -5.876 1.00 0.00 C ATOM 381 OD1 ASP A 369 7.221 -0.163 -6.379 1.00 0.00 O ATOM 382 OD2 ASP A 369 5.700 1.362 -6.291 1.00 0.00 O ATOM 0 H ASP A 369 5.885 0.616 -2.857 1.00 0.00 H new ATOM 0 HA ASP A 369 8.126 -0.546 -4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.720 2.136 -4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 369 8.276 1.999 -4.956 1.00 0.00 H new ATOM 387 N ARG A 370 8.604 1.561 -1.755 1.00 0.00 N ATOM 388 CA ARG A 370 9.611 2.087 -0.841 1.00 0.00 C ATOM 389 C ARG A 370 10.184 0.966 0.020 1.00 0.00 C ATOM 390 O ARG A 370 11.374 0.959 0.335 1.00 0.00 O ATOM 391 CB ARG A 370 8.991 3.158 0.058 1.00 0.00 C ATOM 392 CG ARG A 370 9.127 4.527 -0.610 1.00 0.00 C ATOM 393 CD ARG A 370 9.502 5.574 0.439 1.00 0.00 C ATOM 394 NE ARG A 370 10.402 6.566 -0.136 1.00 0.00 N ATOM 395 CZ ARG A 370 10.514 7.782 0.390 1.00 0.00 C ATOM 396 NH1 ARG A 370 9.810 8.103 1.442 1.00 0.00 N ATOM 397 NH2 ARG A 370 11.328 8.652 -0.142 1.00 0.00 N ATOM 0 H ARG A 370 7.644 1.815 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 370 10.416 2.529 -1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 370 7.940 2.932 0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.487 3.164 1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.889 4.489 -1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.190 4.802 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 370 8.602 6.063 0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 370 9.980 5.090 1.291 1.00 0.00 H new ATOM 0 HE ARG A 370 10.956 6.323 -0.957 1.00 0.00 H new ATOM 0 HH11 ARG A 370 9.176 7.421 1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 370 9.894 9.035 1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 370 11.879 8.400 -0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 370 11.413 9.585 0.262 1.00 0.00 H new ATOM 411 N ASN A 371 9.330 0.019 0.395 1.00 0.00 N ATOM 412 CA ASN A 371 9.764 -1.103 1.219 1.00 0.00 C ATOM 413 C ASN A 371 10.625 -2.063 0.404 1.00 0.00 C ATOM 414 O ASN A 371 11.716 -2.444 0.829 1.00 0.00 O ATOM 415 CB ASN A 371 8.546 -1.849 1.768 1.00 0.00 C ATOM 416 CG ASN A 371 8.531 -3.281 1.246 1.00 0.00 C ATOM 417 OD1 ASN A 371 7.714 -3.604 0.280 1.00 0.00 O flip ATOM 418 ND2 ASN A 371 9.284 -4.128 1.728 1.00 0.00 N flip ATOM 0 H ASN A 371 8.341 0.006 0.144 1.00 0.00 H new ATOM 0 HA ASN A 371 10.356 -0.714 2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 371 8.572 -1.851 2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 371 7.631 -1.336 1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 371 9.921 -3.873 2.483 1.00 0.00 H new ATOM 0 HD22 ASN A 371 9.270 -5.084 1.373 1.00 0.00 H new ATOM 425 N THR A 372 10.131 -2.445 -0.768 1.00 0.00 N ATOM 426 CA THR A 372 10.867 -3.359 -1.633 1.00 0.00 C ATOM 427 C THR A 372 12.194 -2.740 -2.059 1.00 0.00 C ATOM 428 O THR A 372 13.240 -3.387 -2.000 1.00 0.00 O ATOM 429 CB THR A 372 10.035 -3.690 -2.873 1.00 0.00 C ATOM 430 OG1 THR A 372 9.568 -5.030 -2.786 1.00 0.00 O ATOM 431 CG2 THR A 372 10.897 -3.530 -4.127 1.00 0.00 C ATOM 0 H THR A 372 9.231 -2.139 -1.139 1.00 0.00 H new ATOM 0 HA THR A 372 11.067 -4.274 -1.076 1.00 0.00 H new ATOM 0 HB THR A 372 9.184 -3.011 -2.930 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.033 -5.242 -3.579 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.303 -3.766 -5.010 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.254 -2.502 -4.194 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.749 -4.207 -4.072 1.00 0.00 H new ATOM 439 N ARG A 373 12.145 -1.481 -2.484 1.00 0.00 N ATOM 440 CA ARG A 373 13.350 -0.784 -2.915 1.00 0.00 C ATOM 441 C ARG A 373 14.292 -0.568 -1.735 1.00 0.00 C ATOM 442 O ARG A 373 15.511 -0.658 -1.876 1.00 0.00 O ATOM 443 CB ARG A 373 12.981 0.568 -3.530 1.00 0.00 C ATOM 444 CG ARG A 373 12.463 0.357 -4.954 1.00 0.00 C ATOM 445 CD ARG A 373 13.277 1.214 -5.926 1.00 0.00 C ATOM 446 NE ARG A 373 14.653 0.739 -5.985 1.00 0.00 N ATOM 447 CZ ARG A 373 15.440 1.040 -7.014 1.00 0.00 C ATOM 448 NH1 ARG A 373 14.983 1.772 -7.992 1.00 0.00 N ATOM 449 NH2 ARG A 373 16.669 0.602 -7.045 1.00 0.00 N ATOM 0 H ARG A 373 11.290 -0.927 -2.539 1.00 0.00 H new ATOM 0 HA ARG A 373 13.854 -1.396 -3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.220 1.059 -2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.852 1.224 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.540 -0.695 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.408 0.625 -5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 373 12.829 1.176 -6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 373 13.258 2.256 -5.607 1.00 0.00 H new ATOM 0 HE ARG A 373 15.019 0.166 -5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 373 14.022 2.114 -7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 373 15.586 2.003 -8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 373 17.026 0.029 -6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 373 17.273 0.833 -7.834 1.00 0.00 H new ATOM 463 N ARG A 374 13.717 -0.283 -0.571 1.00 0.00 N ATOM 464 CA ARG A 374 14.515 -0.058 0.628 1.00 0.00 C ATOM 465 C ARG A 374 15.304 -1.313 0.988 1.00 0.00 C ATOM 466 O ARG A 374 16.479 -1.237 1.345 1.00 0.00 O ATOM 467 CB ARG A 374 13.606 0.328 1.796 1.00 0.00 C ATOM 468 CG ARG A 374 13.541 1.852 1.911 1.00 0.00 C ATOM 469 CD ARG A 374 14.737 2.355 2.720 1.00 0.00 C ATOM 470 NE ARG A 374 14.301 3.336 3.708 1.00 0.00 N ATOM 471 CZ ARG A 374 13.851 4.531 3.339 1.00 0.00 C ATOM 472 NH1 ARG A 374 13.795 4.844 2.073 1.00 0.00 N ATOM 473 NH2 ARG A 374 13.467 5.390 4.242 1.00 0.00 N ATOM 0 H ARG A 374 12.710 -0.203 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 374 15.215 0.754 0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.606 -0.079 1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 374 13.986 -0.101 2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 374 13.545 2.302 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 374 12.611 2.151 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 374 15.225 1.518 3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 374 15.474 2.803 2.053 1.00 0.00 H new ATOM 0 HE ARG A 374 14.342 3.101 4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 374 14.096 4.172 1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 374 13.450 5.761 1.789 1.00 0.00 H new ATOM 0 HH21 ARG A 374 13.512 5.145 5.231 1.00 0.00 H new ATOM 0 HH22 ARG A 374 13.122 6.307 3.959 1.00 0.00 H new ATOM 487 N MET A 375 14.649 -2.466 0.890 1.00 0.00 N ATOM 488 CA MET A 375 15.302 -3.731 1.206 1.00 0.00 C ATOM 489 C MET A 375 16.178 -4.185 0.045 1.00 0.00 C ATOM 490 O MET A 375 17.134 -4.938 0.231 1.00 0.00 O ATOM 491 CB MET A 375 14.251 -4.801 1.509 1.00 0.00 C ATOM 492 CG MET A 375 14.042 -4.901 3.020 1.00 0.00 C ATOM 493 SD MET A 375 15.616 -5.291 3.823 1.00 0.00 S ATOM 494 CE MET A 375 15.474 -4.111 5.188 1.00 0.00 C ATOM 0 H MET A 375 13.676 -2.550 0.597 1.00 0.00 H new ATOM 0 HA MET A 375 15.931 -3.585 2.084 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.311 -4.551 1.017 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.572 -5.764 1.112 1.00 0.00 H new ATOM 0 HG2 MET A 375 13.648 -3.961 3.406 1.00 0.00 H new ATOM 0 HG3 MET A 375 13.306 -5.672 3.246 1.00 0.00 H new ATOM 0 HE1 MET A 375 16.357 -4.182 5.824 1.00 0.00 H new ATOM 0 HE2 MET A 375 15.395 -3.100 4.788 1.00 0.00 H new ATOM 0 HE3 MET A 375 14.585 -4.339 5.775 1.00 0.00 H new ATOM 504 N ARG A 376 15.843 -3.720 -1.152 1.00 0.00 N ATOM 505 CA ARG A 376 16.606 -4.081 -2.342 1.00 0.00 C ATOM 506 C ARG A 376 17.943 -3.348 -2.362 1.00 0.00 C ATOM 507 O ARG A 376 18.940 -3.871 -2.861 1.00 0.00 O ATOM 508 CB ARG A 376 15.808 -3.731 -3.600 1.00 0.00 C ATOM 509 CG ARG A 376 16.293 -2.395 -4.163 1.00 0.00 C ATOM 510 CD ARG A 376 17.584 -2.612 -4.955 1.00 0.00 C ATOM 511 NE ARG A 376 17.377 -2.278 -6.358 1.00 0.00 N ATOM 512 CZ ARG A 376 18.396 -1.941 -7.143 1.00 0.00 C ATOM 513 NH1 ARG A 376 19.608 -1.906 -6.660 1.00 0.00 N ATOM 514 NH2 ARG A 376 18.184 -1.646 -8.397 1.00 0.00 N ATOM 0 H ARG A 376 15.054 -3.097 -1.325 1.00 0.00 H new ATOM 0 HA ARG A 376 16.794 -5.154 -2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 376 15.926 -4.516 -4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 376 14.745 -3.673 -3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 376 15.528 -1.960 -4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 376 16.466 -1.688 -3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 376 18.381 -1.995 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 376 17.905 -3.650 -4.864 1.00 0.00 H new ATOM 0 HE ARG A 376 16.434 -2.303 -6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 376 19.773 -2.137 -5.680 1.00 0.00 H new ATOM 0 HH12 ARG A 376 20.390 -1.648 -7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 376 17.237 -1.674 -8.774 1.00 0.00 H new ATOM 0 HH22 ARG A 376 18.966 -1.387 -8.999 1.00 0.00 H new ATOM 528 N ARG A 377 17.957 -2.135 -1.818 1.00 0.00 N ATOM 529 CA ARG A 377 19.180 -1.341 -1.780 1.00 0.00 C ATOM 530 C ARG A 377 20.270 -2.073 -1.009 1.00 0.00 C ATOM 531 O ARG A 377 21.456 -1.783 -1.162 1.00 0.00 O ATOM 532 CB ARG A 377 18.904 0.012 -1.121 1.00 0.00 C ATOM 533 CG ARG A 377 18.897 -0.153 0.401 1.00 0.00 C ATOM 534 CD ARG A 377 18.140 1.014 1.036 1.00 0.00 C ATOM 535 NE ARG A 377 17.862 0.729 2.440 1.00 0.00 N ATOM 536 CZ ARG A 377 17.549 1.703 3.290 1.00 0.00 C ATOM 537 NH1 ARG A 377 17.486 2.937 2.874 1.00 0.00 N ATOM 538 NH2 ARG A 377 17.304 1.422 4.541 1.00 0.00 N ATOM 0 H ARG A 377 17.143 -1.684 -1.401 1.00 0.00 H new ATOM 0 HA ARG A 377 19.520 -1.183 -2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 377 19.666 0.734 -1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 377 17.945 0.404 -1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 377 18.426 -1.097 0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 377 19.919 -0.186 0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 377 18.729 1.928 0.952 1.00 0.00 H new ATOM 0 HD3 ARG A 377 17.206 1.186 0.500 1.00 0.00 H new ATOM 0 HE ARG A 377 17.909 -0.233 2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 377 17.677 3.156 1.896 1.00 0.00 H new ATOM 0 HH12 ARG A 377 17.246 3.683 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 377 17.353 0.456 4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 377 17.064 2.168 5.194 1.00 0.00 H new ATOM 552 N LEU A 378 19.856 -3.023 -0.182 1.00 0.00 N ATOM 553 CA LEU A 378 20.801 -3.797 0.614 1.00 0.00 C ATOM 554 C LEU A 378 21.528 -2.898 1.609 1.00 0.00 C ATOM 555 O LEU A 378 22.226 -1.961 1.221 1.00 0.00 O ATOM 556 CB LEU A 378 21.823 -4.476 -0.302 1.00 0.00 C ATOM 557 CG LEU A 378 21.366 -5.903 -0.607 1.00 0.00 C ATOM 558 CD1 LEU A 378 22.360 -6.563 -1.564 1.00 0.00 C ATOM 559 CD2 LEU A 378 21.302 -6.706 0.694 1.00 0.00 C ATOM 0 H LEU A 378 18.878 -3.276 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 378 20.245 -4.556 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 378 21.929 -3.911 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 378 22.802 -4.491 0.176 1.00 0.00 H new ATOM 0 HG LEU A 378 20.379 -5.878 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 378 22.035 -7.580 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 378 22.408 -5.991 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 378 23.347 -6.589 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 378 20.976 -7.724 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 378 22.289 -6.731 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 378 20.595 -6.236 1.377 1.00 0.00 H new ATOM 571 N ALA A 379 21.356 -3.189 2.896 1.00 0.00 N ATOM 572 CA ALA A 379 22.001 -2.399 3.939 1.00 0.00 C ATOM 573 C ALA A 379 23.324 -3.033 4.352 1.00 0.00 C ATOM 574 O ALA A 379 23.836 -2.773 5.441 1.00 0.00 O ATOM 575 CB ALA A 379 21.081 -2.294 5.157 1.00 0.00 C ATOM 0 H ALA A 379 20.781 -3.959 3.239 1.00 0.00 H new ATOM 0 HA ALA A 379 22.198 -1.402 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 379 21.569 -1.703 5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 379 20.147 -1.812 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 379 20.870 -3.292 5.541 1.00 0.00 H new ATOM 581 N ASN A 380 23.873 -3.869 3.477 1.00 0.00 N ATOM 582 CA ASN A 380 25.138 -4.537 3.760 1.00 0.00 C ATOM 583 C ASN A 380 26.055 -4.489 2.542 1.00 0.00 C ATOM 584 O ASN A 380 25.681 -4.931 1.456 1.00 0.00 O ATOM 585 CB ASN A 380 24.884 -5.992 4.154 1.00 0.00 C ATOM 586 CG ASN A 380 23.841 -6.058 5.265 1.00 0.00 C ATOM 587 OD1 ASN A 380 23.602 -5.064 5.952 1.00 0.00 O ATOM 588 ND2 ASN A 380 23.203 -7.175 5.484 1.00 0.00 N ATOM 0 H ASN A 380 23.465 -4.099 2.571 1.00 0.00 H new ATOM 0 HA ASN A 380 25.624 -4.017 4.586 1.00 0.00 H new ATOM 0 HB2 ASN A 380 24.540 -6.557 3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 380 25.813 -6.454 4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 380 22.504 -7.226 6.226 1.00 0.00 H new ATOM 0 HD22 ASN A 380 23.403 -7.997 4.914 1.00 0.00 H new ATOM 595 N THR A 381 27.255 -3.952 2.731 1.00 0.00 N ATOM 596 CA THR A 381 28.217 -3.852 1.640 1.00 0.00 C ATOM 597 C THR A 381 29.634 -4.099 2.149 1.00 0.00 C ATOM 598 O THR A 381 30.172 -3.307 2.922 1.00 0.00 O ATOM 599 CB THR A 381 28.139 -2.464 0.998 1.00 0.00 C ATOM 600 OG1 THR A 381 28.875 -2.463 -0.217 1.00 0.00 O ATOM 601 CG2 THR A 381 28.726 -1.424 1.954 1.00 0.00 C ATOM 0 H THR A 381 27.583 -3.582 3.623 1.00 0.00 H new ATOM 0 HA THR A 381 27.972 -4.611 0.896 1.00 0.00 H new ATOM 0 HB THR A 381 27.098 -2.217 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 381 28.824 -1.575 -0.630 1.00 0.00 H new ATOM 0 HG21 THR A 381 28.670 -0.436 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 381 28.159 -1.425 2.885 1.00 0.00 H new ATOM 0 HG23 THR A 381 29.767 -1.669 2.163 1.00 0.00 H new ATOM 609 N ALA A 382 30.230 -5.203 1.711 1.00 0.00 N ATOM 610 CA ALA A 382 31.585 -5.545 2.131 1.00 0.00 C ATOM 611 C ALA A 382 32.543 -4.397 1.831 1.00 0.00 C ATOM 612 O ALA A 382 32.483 -3.785 0.764 1.00 0.00 O ATOM 613 CB ALA A 382 32.053 -6.807 1.404 1.00 0.00 C ATOM 0 H ALA A 382 29.801 -5.871 1.071 1.00 0.00 H new ATOM 0 HA ALA A 382 31.579 -5.727 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 382 33.065 -7.056 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 382 31.384 -7.634 1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 382 32.044 -6.632 0.328 1.00 0.00 H new ATOM 619 N PRO A 383 33.421 -4.102 2.751 1.00 0.00 N ATOM 620 CA PRO A 383 34.419 -3.007 2.594 1.00 0.00 C ATOM 621 C PRO A 383 35.522 -3.371 1.602 1.00 0.00 C ATOM 622 O PRO A 383 35.839 -4.545 1.416 1.00 0.00 O ATOM 623 CB PRO A 383 34.988 -2.829 4.002 1.00 0.00 C ATOM 624 CG PRO A 383 34.788 -4.144 4.681 1.00 0.00 C ATOM 625 CD PRO A 383 33.555 -4.787 4.045 1.00 0.00 C ATOM 0 HA PRO A 383 33.969 -2.098 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 383 36.044 -2.561 3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 383 34.474 -2.029 4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 383 35.664 -4.781 4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 383 34.643 -4.008 5.753 1.00 0.00 H new ATOM 0 HD2 PRO A 383 33.687 -5.861 3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 383 32.669 -4.647 4.664 1.00 0.00 H new ATOM 633 N ALA A 384 36.101 -2.356 0.971 1.00 0.00 N ATOM 634 CA ALA A 384 37.167 -2.581 0.001 1.00 0.00 C ATOM 635 C ALA A 384 38.523 -2.219 0.601 1.00 0.00 C ATOM 636 O ALA A 384 39.030 -1.118 0.393 1.00 0.00 O ATOM 637 CB ALA A 384 36.920 -1.739 -1.252 1.00 0.00 C ATOM 0 H ALA A 384 35.853 -1.377 1.112 1.00 0.00 H new ATOM 0 HA ALA A 384 37.171 -3.638 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 384 37.721 -1.913 -1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 384 35.965 -2.020 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 384 36.898 -0.683 -0.982 1.00 0.00 H new ATOM 643 N TRP A 385 39.103 -3.155 1.345 1.00 0.00 N ATOM 644 CA TRP A 385 40.400 -2.922 1.970 1.00 0.00 C ATOM 645 C TRP A 385 41.338 -2.205 1.006 1.00 0.00 C ATOM 646 O TRP A 385 41.584 -2.744 -0.062 1.00 0.00 O ATOM 647 CB TRP A 385 41.020 -4.254 2.395 1.00 0.00 C ATOM 648 CG TRP A 385 42.394 -4.016 2.932 1.00 0.00 C ATOM 649 CD1 TRP A 385 43.507 -3.863 2.177 1.00 0.00 C ATOM 650 CD2 TRP A 385 42.821 -3.902 4.320 1.00 0.00 C ATOM 651 NE1 TRP A 385 44.590 -3.660 3.014 1.00 0.00 N ATOM 652 CE2 TRP A 385 44.219 -3.676 4.345 1.00 0.00 C ATOM 653 CE3 TRP A 385 42.140 -3.970 5.548 1.00 0.00 C ATOM 654 CZ2 TRP A 385 44.915 -3.524 5.545 1.00 0.00 C ATOM 655 CZ3 TRP A 385 42.837 -3.818 6.759 1.00 0.00 C ATOM 656 CH2 TRP A 385 44.222 -3.596 6.756 1.00 0.00 C ATOM 0 H TRP A 385 38.700 -4.074 1.529 1.00 0.00 H new ATOM 0 HA TRP A 385 40.253 -2.294 2.848 1.00 0.00 H new ATOM 0 HB2 TRP A 385 40.399 -4.731 3.154 1.00 0.00 H new ATOM 0 HB3 TRP A 385 41.063 -4.935 1.545 1.00 0.00 H new ATOM 0 HD1 TRP A 385 43.544 -3.894 1.098 1.00 0.00 H new ATOM 0 HE1 TRP A 385 45.546 -3.516 2.688 1.00 0.00 H new ATOM 0 HE3 TRP A 385 41.074 -4.140 5.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 45.981 -3.352 5.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 42.304 -3.872 7.696 1.00 0.00 H new ATOM 0 HH2 TRP A 385 44.753 -3.481 7.690 1.00 0.00 H new TER 667 TRP A 385