USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 499 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 NoAdj-H: A 367 HIS HD1 : A 367 HIS ND1 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 389 HIS : no HE2:sc= -7.22! C(o=-7.2!,f=-7.2!) USER MOD Set 1.2: A 393 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 346 HIS : no HD1:sc= -0.283 K(o=-0.11,f=-5.4) USER MOD Set 2.2: A 359 THR OG1 : rot 88:sc= 0.17 USER MOD Single : A 354 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 363 THR OG1 : rot -49:sc= 0.375 USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot -160:sc= -0.0187 USER MOD Single : A 368 SER OG : rot 180:sc= -1.66! USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -1.96 K(o=-2,f=-0.026) USER MOD Single : A 376 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 380 LYS NZ :NH3+ 167:sc= -0.0799! (180deg=-0.683!) USER MOD Single : A 390 LYS NZ :NH3+ -162:sc= -0.115 (180deg=-0.548) USER MOD Single : A 391 ASN : amide:sc= 1.14 K(o=1.1,f=-0.019) USER MOD Single : A 392 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0471) USER MOD Single : A 396 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 339 51.681 0.774 -3.495 1.00 0.00 N ATOM 2 CA ARG A 339 51.630 2.135 -3.867 1.00 0.00 C ATOM 3 C ARG A 339 51.887 2.149 -5.311 1.00 0.00 C ATOM 4 O ARG A 339 51.956 1.079 -5.965 1.00 0.00 O ATOM 5 CB ARG A 339 52.753 2.881 -3.134 1.00 0.00 C ATOM 6 CG ARG A 339 52.770 2.654 -1.631 1.00 0.00 C ATOM 7 CD ARG A 339 51.684 3.423 -0.920 1.00 0.00 C ATOM 8 NE ARG A 339 52.019 4.860 -0.838 1.00 0.00 N ATOM 9 CZ ARG A 339 51.148 5.886 -0.762 1.00 0.00 C ATOM 10 NH1 ARG A 339 49.853 5.684 -0.898 1.00 0.00 N ATOM 11 NH2 ARG A 339 51.598 7.113 -0.581 1.00 0.00 N ATOM 0 HA ARG A 339 50.679 2.607 -3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 339 53.712 2.570 -3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 339 52.653 3.949 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 339 52.652 1.590 -1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 339 53.741 2.949 -1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 339 50.739 3.296 -1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 339 51.546 3.020 0.083 1.00 0.00 H new ATOM 0 HE ARG A 339 53.010 5.100 -0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 339 49.498 4.742 -1.063 1.00 0.00 H new ATOM 0 HH12 ARG A 339 49.205 6.470 -0.838 1.00 0.00 H new ATOM 0 HH21 ARG A 339 52.601 7.282 -0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 339 50.943 7.893 -0.523 1.00 0.00 H new ATOM 25 N GLU A 340 51.998 3.263 -5.853 1.00 0.00 N ATOM 26 CA GLU A 340 52.459 3.301 -7.145 1.00 0.00 C ATOM 27 C GLU A 340 53.959 2.995 -7.009 1.00 0.00 C ATOM 28 O GLU A 340 54.737 3.808 -6.517 1.00 0.00 O ATOM 29 CB GLU A 340 52.117 4.633 -7.778 1.00 0.00 C ATOM 30 CG GLU A 340 52.904 5.771 -7.243 1.00 0.00 C ATOM 31 CD GLU A 340 52.129 7.044 -7.167 1.00 0.00 C ATOM 32 OE1 GLU A 340 51.248 7.174 -6.280 1.00 0.00 O ATOM 33 OE2 GLU A 340 52.374 7.936 -7.980 1.00 0.00 O ATOM 0 H GLU A 340 51.777 4.162 -5.425 1.00 0.00 H new ATOM 0 HA GLU A 340 52.001 2.579 -7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 340 52.279 4.565 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 340 51.056 4.834 -7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 340 53.267 5.516 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 340 53.780 5.925 -7.873 1.00 0.00 H new ATOM 40 N PHE A 341 54.243 1.698 -7.127 1.00 0.00 N ATOM 41 CA PHE A 341 55.591 1.189 -7.093 1.00 0.00 C ATOM 42 C PHE A 341 56.547 2.159 -7.715 1.00 0.00 C ATOM 43 O PHE A 341 56.518 2.414 -8.930 1.00 0.00 O ATOM 44 CB PHE A 341 55.770 -0.150 -7.813 1.00 0.00 C ATOM 45 CG PHE A 341 57.221 -0.513 -7.893 1.00 0.00 C ATOM 46 CD1 PHE A 341 57.959 -0.635 -6.736 1.00 0.00 C ATOM 47 CD2 PHE A 341 57.852 -0.695 -9.109 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.273 -0.933 -6.778 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.185 -1.001 -9.159 1.00 0.00 C ATOM 50 CZ PHE A 341 59.899 -1.120 -7.992 1.00 0.00 C ATOM 0 H PHE A 341 53.532 0.977 -7.249 1.00 0.00 H new ATOM 0 HA PHE A 341 55.801 1.042 -6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.223 -0.930 -7.284 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.348 -0.089 -8.816 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.477 -0.490 -5.780 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.290 -0.595 -10.026 1.00 0.00 H new ATOM 0 HE1 PHE A 341 59.835 -1.025 -5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 341 59.673 -1.148 -10.111 1.00 0.00 H new ATOM 0 HZ PHE A 341 60.951 -1.360 -8.025 1.00 0.00 H new ATOM 60 N ASP A 342 57.364 2.676 -6.900 1.00 0.00 N ATOM 61 CA ASP A 342 58.357 3.597 -7.338 1.00 0.00 C ATOM 62 C ASP A 342 59.682 2.945 -7.227 1.00 0.00 C ATOM 63 O ASP A 342 60.203 2.835 -6.141 1.00 0.00 O ATOM 64 CB ASP A 342 58.387 4.958 -6.586 1.00 0.00 C ATOM 65 CG ASP A 342 57.470 6.025 -7.161 1.00 0.00 C ATOM 66 OD1 ASP A 342 57.687 6.432 -8.343 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.571 6.541 -6.443 1.00 0.00 O ATOM 0 H ASP A 342 57.376 2.481 -5.899 1.00 0.00 H new ATOM 0 HA ASP A 342 58.100 3.849 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.114 4.788 -5.545 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.409 5.337 -6.590 1.00 0.00 H new ATOM 72 N PRO A 343 60.258 2.446 -8.316 1.00 0.00 N ATOM 73 CA PRO A 343 61.529 1.766 -8.233 1.00 0.00 C ATOM 74 C PRO A 343 62.634 2.662 -7.777 1.00 0.00 C ATOM 75 O PRO A 343 63.427 2.272 -6.948 1.00 0.00 O ATOM 76 CB PRO A 343 61.796 1.251 -9.631 1.00 0.00 C ATOM 77 CG PRO A 343 60.918 2.039 -10.523 1.00 0.00 C ATOM 78 CD PRO A 343 59.730 2.467 -9.695 1.00 0.00 C ATOM 0 HA PRO A 343 61.490 0.966 -7.493 1.00 0.00 H new ATOM 0 HB2 PRO A 343 62.844 1.378 -9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.575 0.186 -9.705 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.447 2.906 -10.919 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.599 1.443 -11.378 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.379 3.460 -9.977 1.00 0.00 H new ATOM 0 HD3 PRO A 343 58.888 1.785 -9.815 1.00 0.00 H new ATOM 86 N ASP A 344 62.620 3.893 -8.248 1.00 0.00 N ATOM 87 CA ASP A 344 63.684 4.836 -7.959 1.00 0.00 C ATOM 88 C ASP A 344 63.748 5.181 -6.490 1.00 0.00 C ATOM 89 O ASP A 344 64.801 5.595 -5.991 1.00 0.00 O ATOM 90 CB ASP A 344 63.532 6.132 -8.773 1.00 0.00 C ATOM 91 CG ASP A 344 63.682 5.934 -10.264 1.00 0.00 C ATOM 92 OD1 ASP A 344 64.820 5.819 -10.746 1.00 0.00 O ATOM 93 OD2 ASP A 344 62.661 5.900 -10.988 1.00 0.00 O ATOM 0 H ASP A 344 61.877 4.267 -8.838 1.00 0.00 H new ATOM 0 HA ASP A 344 64.612 4.341 -8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.553 6.566 -8.570 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.276 6.853 -8.434 1.00 0.00 H new ATOM 98 N ILE A 345 62.647 4.967 -5.791 1.00 0.00 N ATOM 99 CA ILE A 345 62.543 5.410 -4.410 1.00 0.00 C ATOM 100 C ILE A 345 62.317 4.238 -3.440 1.00 0.00 C ATOM 101 O ILE A 345 62.720 4.295 -2.284 1.00 0.00 O ATOM 102 CB ILE A 345 61.401 6.493 -4.245 1.00 0.00 C ATOM 103 CG1 ILE A 345 60.095 5.904 -3.705 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.150 7.216 -5.561 1.00 0.00 C ATOM 105 CD1 ILE A 345 58.952 6.907 -3.603 1.00 0.00 C ATOM 0 H ILE A 345 61.819 4.494 -6.152 1.00 0.00 H new ATOM 0 HA ILE A 345 63.498 5.868 -4.153 1.00 0.00 H new ATOM 0 HB ILE A 345 61.758 7.208 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.786 5.082 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.281 5.481 -2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.361 7.956 -5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 345 62.064 7.715 -5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.844 6.495 -6.320 1.00 0.00 H new ATOM 0 HD11 ILE A 345 58.065 6.409 -3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 345 59.238 7.718 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.735 7.313 -4.591 1.00 0.00 H new ATOM 117 N HIS A 346 61.702 3.183 -3.917 1.00 0.00 N ATOM 118 CA HIS A 346 61.307 2.092 -3.071 1.00 0.00 C ATOM 119 C HIS A 346 62.141 0.839 -3.221 1.00 0.00 C ATOM 120 O HIS A 346 63.124 0.793 -3.940 1.00 0.00 O ATOM 121 CB HIS A 346 59.808 1.789 -3.228 1.00 0.00 C ATOM 122 CG HIS A 346 58.932 2.763 -2.507 1.00 0.00 C ATOM 123 ND1 HIS A 346 57.946 3.468 -3.142 1.00 0.00 N ATOM 124 CD2 HIS A 346 58.923 3.071 -1.199 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.354 4.195 -2.186 1.00 0.00 C ATOM 126 NE2 HIS A 346 57.918 3.978 -1.000 1.00 0.00 N ATOM 0 H HIS A 346 61.463 3.060 -4.901 1.00 0.00 H new ATOM 0 HA HIS A 346 61.498 2.434 -2.054 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.552 1.795 -4.287 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.606 0.784 -2.857 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.587 2.676 -0.444 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.527 4.869 -2.355 1.00 0.00 H new ATOM 0 HE2 HIS A 346 57.652 4.406 -0.113 1.00 0.00 H new ATOM 134 N CYS A 347 61.715 -0.170 -2.484 1.00 0.00 N ATOM 135 CA CYS A 347 62.383 -1.469 -2.375 1.00 0.00 C ATOM 136 C CYS A 347 62.619 -2.147 -3.733 1.00 0.00 C ATOM 137 O CYS A 347 63.709 -2.632 -3.976 1.00 0.00 O ATOM 138 CB CYS A 347 61.565 -2.358 -1.403 1.00 0.00 C ATOM 139 SG CYS A 347 62.209 -4.052 -0.999 1.00 0.00 S ATOM 0 H CYS A 347 60.865 -0.113 -1.922 1.00 0.00 H new ATOM 0 HA CYS A 347 63.385 -1.315 -1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.457 -1.812 -0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.565 -2.474 -1.822 1.00 0.00 H new ATOM 144 N GLY A 348 61.588 -2.265 -4.553 1.00 0.00 N ATOM 145 CA GLY A 348 61.780 -2.828 -5.891 1.00 0.00 C ATOM 146 C GLY A 348 62.058 -4.305 -5.904 1.00 0.00 C ATOM 147 O GLY A 348 62.387 -4.867 -6.934 1.00 0.00 O ATOM 0 H GLY A 348 60.632 -1.989 -4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 348 60.888 -2.632 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.607 -2.310 -6.376 1.00 0.00 H new ATOM 151 N VAL A 349 61.881 -4.946 -4.778 1.00 0.00 N ATOM 152 CA VAL A 349 62.128 -6.360 -4.713 1.00 0.00 C ATOM 153 C VAL A 349 60.850 -6.983 -4.924 1.00 0.00 C ATOM 154 O VAL A 349 59.927 -6.798 -4.122 1.00 0.00 O ATOM 155 CB VAL A 349 62.738 -6.862 -3.371 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.050 -8.356 -3.441 1.00 0.00 C ATOM 157 CG2 VAL A 349 63.982 -6.096 -2.995 1.00 0.00 C ATOM 0 H VAL A 349 61.571 -4.518 -3.906 1.00 0.00 H new ATOM 0 HA VAL A 349 62.877 -6.615 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 349 61.990 -6.688 -2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.475 -8.684 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.133 -8.910 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.765 -8.541 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.374 -6.479 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.733 -6.216 -3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.739 -5.039 -2.884 1.00 0.00 H new ATOM 167 N ILE A 350 60.757 -7.621 -6.014 1.00 0.00 N ATOM 168 CA ILE A 350 59.594 -8.277 -6.359 1.00 0.00 C ATOM 169 C ILE A 350 59.431 -9.475 -5.489 1.00 0.00 C ATOM 170 O ILE A 350 60.326 -10.326 -5.382 1.00 0.00 O ATOM 171 CB ILE A 350 59.552 -8.602 -7.836 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.463 -7.266 -8.597 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.425 -9.572 -8.143 1.00 0.00 C ATOM 174 CD1 ILE A 350 59.067 -7.351 -10.043 1.00 0.00 C ATOM 0 H ILE A 350 61.508 -7.698 -6.700 1.00 0.00 H new ATOM 0 HA ILE A 350 58.741 -7.620 -6.187 1.00 0.00 H new ATOM 0 HB ILE A 350 60.454 -9.120 -8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.746 -6.626 -8.083 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.433 -6.772 -8.536 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.414 -9.791 -9.211 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.578 -10.496 -7.585 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.473 -9.127 -7.854 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.038 -6.349 -10.472 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.794 -7.957 -10.584 1.00 0.00 H new ATOM 0 HD13 ILE A 350 58.081 -7.809 -10.124 1.00 0.00 H new ATOM 186 N ASP A 351 58.313 -9.518 -4.875 1.00 0.00 N ATOM 187 CA ASP A 351 58.042 -10.471 -3.859 1.00 0.00 C ATOM 188 C ASP A 351 57.703 -11.786 -4.472 1.00 0.00 C ATOM 189 O ASP A 351 57.109 -11.832 -5.496 1.00 0.00 O ATOM 190 CB ASP A 351 56.897 -9.957 -3.057 1.00 0.00 C ATOM 191 CG ASP A 351 56.574 -10.782 -1.876 1.00 0.00 C ATOM 192 OD1 ASP A 351 57.318 -10.747 -0.877 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.551 -11.438 -1.903 1.00 0.00 O ATOM 0 H ASP A 351 57.540 -8.880 -5.065 1.00 0.00 H new ATOM 0 HA ASP A 351 58.914 -10.616 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 351 57.123 -8.943 -2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 351 56.017 -9.896 -3.697 1.00 0.00 H new ATOM 198 N LEU A 352 58.131 -12.832 -3.885 1.00 0.00 N ATOM 199 CA LEU A 352 57.860 -14.154 -4.385 1.00 0.00 C ATOM 200 C LEU A 352 56.460 -14.662 -4.040 1.00 0.00 C ATOM 201 O LEU A 352 55.982 -15.637 -4.634 1.00 0.00 O ATOM 202 CB LEU A 352 58.960 -15.066 -3.918 1.00 0.00 C ATOM 203 CG LEU A 352 60.151 -15.270 -4.865 1.00 0.00 C ATOM 204 CD1 LEU A 352 59.822 -16.314 -5.906 1.00 0.00 C ATOM 205 CD2 LEU A 352 60.532 -13.970 -5.573 1.00 0.00 C ATOM 0 H LEU A 352 58.689 -12.814 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 352 57.855 -14.129 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 352 59.342 -14.679 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 352 58.523 -16.043 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 352 60.994 -15.601 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 352 60.676 -16.448 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 352 59.594 -17.259 -5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 352 58.958 -15.989 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 352 61.379 -14.151 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 352 59.684 -13.612 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.805 -13.219 -4.832 1.00 0.00 H new ATOM 217 N ASP A 353 55.801 -14.025 -3.103 1.00 0.00 N ATOM 218 CA ASP A 353 54.426 -14.390 -2.765 1.00 0.00 C ATOM 219 C ASP A 353 53.517 -13.613 -3.611 1.00 0.00 C ATOM 220 O ASP A 353 52.713 -14.157 -4.368 1.00 0.00 O ATOM 221 CB ASP A 353 54.091 -14.057 -1.321 1.00 0.00 C ATOM 222 CG ASP A 353 52.659 -14.365 -0.937 1.00 0.00 C ATOM 223 OD1 ASP A 353 52.347 -15.542 -0.643 1.00 0.00 O ATOM 224 OD2 ASP A 353 51.825 -13.432 -0.894 1.00 0.00 O ATOM 0 H ASP A 353 56.183 -13.253 -2.557 1.00 0.00 H new ATOM 0 HA ASP A 353 54.319 -15.464 -2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.760 -14.614 -0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 353 54.283 -12.998 -1.148 1.00 0.00 H new ATOM 229 N THR A 354 53.659 -12.332 -3.519 1.00 0.00 N ATOM 230 CA THR A 354 52.786 -11.485 -4.195 1.00 0.00 C ATOM 231 C THR A 354 53.179 -11.334 -5.685 1.00 0.00 C ATOM 232 O THR A 354 52.328 -11.098 -6.545 1.00 0.00 O ATOM 233 CB THR A 354 52.610 -10.119 -3.485 1.00 0.00 C ATOM 234 OG1 THR A 354 53.884 -9.508 -3.265 1.00 0.00 O ATOM 235 CG2 THR A 354 51.911 -10.296 -2.149 1.00 0.00 C ATOM 0 H THR A 354 54.383 -11.864 -2.973 1.00 0.00 H new ATOM 0 HA THR A 354 51.805 -11.959 -4.172 1.00 0.00 H new ATOM 0 HB THR A 354 52.003 -9.482 -4.128 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.760 -8.645 -2.817 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.797 -9.325 -1.667 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.928 -10.739 -2.309 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.505 -10.951 -1.511 1.00 0.00 H new ATOM 243 N LYS A 355 54.482 -11.459 -5.961 1.00 0.00 N ATOM 244 CA LYS A 355 55.065 -11.414 -7.328 1.00 0.00 C ATOM 245 C LYS A 355 54.860 -10.123 -8.017 1.00 0.00 C ATOM 246 O LYS A 355 54.696 -10.028 -9.237 1.00 0.00 O ATOM 247 CB LYS A 355 54.749 -12.619 -8.173 1.00 0.00 C ATOM 248 CG LYS A 355 55.601 -13.837 -7.824 1.00 0.00 C ATOM 249 CD LYS A 355 57.107 -13.648 -8.113 1.00 0.00 C ATOM 250 CE LYS A 355 57.429 -13.318 -9.575 1.00 0.00 C ATOM 251 NZ LYS A 355 57.030 -14.383 -10.518 1.00 0.00 N ATOM 0 H LYS A 355 55.184 -11.597 -5.234 1.00 0.00 H new ATOM 0 HA LYS A 355 56.142 -11.476 -7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 355 53.696 -12.873 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.898 -12.368 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 355 55.470 -14.070 -6.767 1.00 0.00 H new ATOM 0 HG3 LYS A 355 55.238 -14.696 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 355 57.490 -12.848 -7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 355 57.637 -14.558 -7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 355 56.925 -12.392 -9.850 1.00 0.00 H new ATOM 0 HE3 LYS A 355 58.500 -13.139 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 57.275 -14.098 -11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 57.530 -15.263 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 56.004 -14.539 -10.452 1.00 0.00 H new ATOM 265 N LYS A 356 54.984 -9.153 -7.236 1.00 0.00 N ATOM 266 CA LYS A 356 54.876 -7.809 -7.611 1.00 0.00 C ATOM 267 C LYS A 356 55.903 -7.073 -6.818 1.00 0.00 C ATOM 268 O LYS A 356 56.467 -7.657 -5.878 1.00 0.00 O ATOM 269 CB LYS A 356 53.470 -7.355 -7.328 1.00 0.00 C ATOM 270 CG LYS A 356 53.105 -7.147 -5.883 1.00 0.00 C ATOM 271 CD LYS A 356 51.662 -6.757 -5.814 1.00 0.00 C ATOM 272 CE LYS A 356 51.236 -6.352 -4.431 1.00 0.00 C ATOM 273 NZ LYS A 356 49.811 -5.975 -4.425 1.00 0.00 N ATOM 0 H LYS A 356 55.178 -9.274 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 356 55.057 -7.632 -8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.301 -6.419 -7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.784 -8.089 -7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.279 -8.059 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 356 53.730 -6.370 -5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 356 51.480 -5.932 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.048 -7.593 -6.149 1.00 0.00 H new ATOM 0 HE2 LYS A 356 51.405 -7.174 -3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 356 51.842 -5.514 -4.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 49.529 -5.697 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 49.660 -5.176 -5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 49.236 -6.785 -4.734 1.00 0.00 H new ATOM 287 N PRO A 357 56.212 -5.829 -7.162 1.00 0.00 N ATOM 288 CA PRO A 357 57.245 -5.120 -6.502 1.00 0.00 C ATOM 289 C PRO A 357 56.923 -4.696 -5.128 1.00 0.00 C ATOM 290 O PRO A 357 55.860 -4.992 -4.566 1.00 0.00 O ATOM 291 CB PRO A 357 57.546 -3.952 -7.361 1.00 0.00 C ATOM 292 CG PRO A 357 56.389 -3.742 -8.250 1.00 0.00 C ATOM 293 CD PRO A 357 55.567 -5.012 -8.212 1.00 0.00 C ATOM 0 HA PRO A 357 58.101 -5.782 -6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.727 -3.066 -6.753 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.450 -4.128 -7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 357 55.797 -2.889 -7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 357 56.718 -3.525 -9.266 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.524 -4.805 -7.971 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.576 -5.522 -9.175 1.00 0.00 H new ATOM 301 N CYS A 358 57.825 -3.957 -4.591 1.00 0.00 N ATOM 302 CA CYS A 358 57.777 -3.691 -3.293 1.00 0.00 C ATOM 303 C CYS A 358 57.993 -2.275 -3.049 1.00 0.00 C ATOM 304 O CYS A 358 59.116 -1.764 -3.161 1.00 0.00 O ATOM 305 CB CYS A 358 58.797 -4.448 -2.649 1.00 0.00 C ATOM 306 SG CYS A 358 58.613 -4.412 -0.904 1.00 0.00 S ATOM 0 H CYS A 358 58.608 -3.538 -5.092 1.00 0.00 H new ATOM 0 HA CYS A 358 56.795 -3.955 -2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 358 58.763 -5.480 -2.999 1.00 0.00 H new ATOM 0 HB3 CYS A 358 59.775 -4.051 -2.922 1.00 0.00 H new ATOM 311 N THR A 359 56.975 -1.662 -2.739 1.00 0.00 N ATOM 312 CA THR A 359 56.969 -0.276 -2.447 1.00 0.00 C ATOM 313 C THR A 359 56.630 -0.031 -0.955 1.00 0.00 C ATOM 314 O THR A 359 55.717 0.695 -0.589 1.00 0.00 O ATOM 315 CB THR A 359 56.069 0.471 -3.492 1.00 0.00 C ATOM 316 OG1 THR A 359 55.816 1.830 -3.201 1.00 0.00 O ATOM 317 CG2 THR A 359 54.781 -0.274 -3.735 1.00 0.00 C ATOM 0 H THR A 359 56.057 -2.101 -2.668 1.00 0.00 H new ATOM 0 HA THR A 359 57.962 0.158 -2.561 1.00 0.00 H new ATOM 0 HB THR A 359 56.661 0.482 -4.407 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.530 2.384 -3.579 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.179 0.269 -4.464 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.003 -1.270 -4.118 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.228 -0.360 -2.799 1.00 0.00 H new ATOM 325 N ARG A 360 57.400 -0.706 -0.104 1.00 0.00 N ATOM 326 CA ARG A 360 57.310 -0.499 1.327 1.00 0.00 C ATOM 327 C ARG A 360 58.102 0.692 1.732 1.00 0.00 C ATOM 328 O ARG A 360 57.564 1.733 2.078 1.00 0.00 O ATOM 329 CB ARG A 360 57.777 -1.714 2.107 1.00 0.00 C ATOM 330 CG ARG A 360 56.723 -2.759 2.189 1.00 0.00 C ATOM 331 CD ARG A 360 56.782 -3.496 3.487 1.00 0.00 C ATOM 332 NE ARG A 360 55.750 -4.545 3.559 1.00 0.00 N ATOM 333 CZ ARG A 360 55.435 -5.282 4.642 1.00 0.00 C ATOM 334 NH1 ARG A 360 55.918 -4.967 5.841 1.00 0.00 N ATOM 335 NH2 ARG A 360 54.596 -6.306 4.525 1.00 0.00 N ATOM 0 H ARG A 360 58.092 -1.400 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 360 56.259 -0.333 1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.665 -2.131 1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.066 -1.410 3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 360 55.742 -2.297 2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 360 56.841 -3.462 1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 360 57.768 -3.945 3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.648 -2.795 4.311 1.00 0.00 H new ATOM 0 HE ARG A 360 55.223 -4.731 2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 360 56.533 -4.160 5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 360 55.673 -5.532 6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 360 54.192 -6.533 3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 360 54.356 -6.865 5.344 1.00 0.00 H new ATOM 349 N SER A 361 59.382 0.543 1.651 1.00 0.00 N ATOM 350 CA SER A 361 60.282 1.566 2.003 1.00 0.00 C ATOM 351 C SER A 361 61.615 1.235 1.454 1.00 0.00 C ATOM 352 O SER A 361 61.812 0.147 0.832 1.00 0.00 O ATOM 353 CB SER A 361 60.367 1.699 3.517 1.00 0.00 C ATOM 354 OG SER A 361 60.735 0.462 4.096 1.00 0.00 O ATOM 0 H SER A 361 59.831 -0.315 1.330 1.00 0.00 H new ATOM 0 HA SER A 361 59.933 2.514 1.593 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.097 2.464 3.782 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.406 2.024 3.915 1.00 0.00 H new ATOM 0 HG SER A 361 60.788 0.560 5.070 1.00 0.00 H new ATOM 360 N LEU A 362 62.531 2.106 1.746 1.00 0.00 N ATOM 361 CA LEU A 362 63.883 2.022 1.341 1.00 0.00 C ATOM 362 C LEU A 362 64.617 1.078 2.281 1.00 0.00 C ATOM 363 O LEU A 362 65.767 0.777 2.097 1.00 0.00 O ATOM 364 CB LEU A 362 64.516 3.424 1.422 1.00 0.00 C ATOM 365 CG LEU A 362 63.869 4.571 0.577 1.00 0.00 C ATOM 366 CD1 LEU A 362 62.522 5.044 1.126 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.812 5.749 0.413 1.00 0.00 C ATOM 0 H LEU A 362 62.335 2.937 2.304 1.00 0.00 H new ATOM 0 HA LEU A 362 63.950 1.649 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.509 3.734 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.560 3.337 1.123 1.00 0.00 H new ATOM 0 HG LEU A 362 63.678 4.134 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 362 62.130 5.840 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 362 61.820 4.210 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 362 62.654 5.420 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 362 64.326 6.524 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.068 6.149 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 362 65.720 5.421 -0.093 1.00 0.00 H new ATOM 379 N THR A 363 63.915 0.630 3.296 1.00 0.00 N ATOM 380 CA THR A 363 64.477 -0.229 4.302 1.00 0.00 C ATOM 381 C THR A 363 63.483 -1.368 4.623 1.00 0.00 C ATOM 382 O THR A 363 63.463 -1.891 5.725 1.00 0.00 O ATOM 383 CB THR A 363 64.787 0.627 5.556 1.00 0.00 C ATOM 384 OG1 THR A 363 65.489 -0.114 6.545 1.00 0.00 O ATOM 385 CG2 THR A 363 63.520 1.202 6.153 1.00 0.00 C ATOM 0 H THR A 363 62.931 0.855 3.444 1.00 0.00 H new ATOM 0 HA THR A 363 65.402 -0.687 3.951 1.00 0.00 H new ATOM 0 HB THR A 363 65.427 1.445 5.225 1.00 0.00 H new ATOM 0 HG1 THR A 363 65.037 -0.970 6.694 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.769 1.798 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 363 63.024 1.833 5.415 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.853 0.390 6.443 1.00 0.00 H new ATOM 393 N CYS A 364 62.711 -1.750 3.585 1.00 0.00 N ATOM 394 CA CYS A 364 61.686 -2.821 3.621 1.00 0.00 C ATOM 395 C CYS A 364 61.998 -3.948 4.610 1.00 0.00 C ATOM 396 O CYS A 364 62.996 -4.641 4.463 1.00 0.00 O ATOM 397 CB CYS A 364 61.624 -3.425 2.275 1.00 0.00 C ATOM 398 SG CYS A 364 60.620 -4.894 2.170 1.00 0.00 S ATOM 0 H CYS A 364 62.784 -1.309 2.668 1.00 0.00 H new ATOM 0 HA CYS A 364 60.752 -2.358 3.939 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.236 -2.684 1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.636 -3.668 1.953 1.00 0.00 H new ATOM 403 N LYS A 365 61.084 -4.182 5.506 1.00 0.00 N ATOM 404 CA LYS A 365 61.247 -5.063 6.627 1.00 0.00 C ATOM 405 C LYS A 365 61.018 -6.519 6.250 1.00 0.00 C ATOM 406 O LYS A 365 61.408 -7.428 6.968 1.00 0.00 O ATOM 407 CB LYS A 365 60.203 -4.640 7.635 1.00 0.00 C ATOM 408 CG LYS A 365 60.382 -5.170 9.022 1.00 0.00 C ATOM 409 CD LYS A 365 59.192 -4.807 9.897 1.00 0.00 C ATOM 410 CE LYS A 365 58.888 -3.311 9.856 1.00 0.00 C ATOM 411 NZ LYS A 365 57.814 -2.943 10.799 1.00 0.00 N ATOM 0 H LYS A 365 60.163 -3.745 5.474 1.00 0.00 H new ATOM 0 HA LYS A 365 62.264 -4.996 7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.191 -3.551 7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.225 -4.954 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 365 60.498 -6.253 8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 365 61.296 -4.764 9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 365 58.315 -5.364 9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 365 59.392 -5.108 10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 365 59.791 -2.750 10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 365 58.597 -3.027 8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 57.637 -1.920 10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 56.945 -3.459 10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 58.102 -3.191 11.767 1.00 0.00 H new ATOM 425 N THR A 366 60.414 -6.729 5.134 1.00 0.00 N ATOM 426 CA THR A 366 60.009 -8.041 4.731 1.00 0.00 C ATOM 427 C THR A 366 61.130 -8.751 4.005 1.00 0.00 C ATOM 428 O THR A 366 61.333 -9.957 4.127 1.00 0.00 O ATOM 429 CB THR A 366 58.836 -7.881 3.794 1.00 0.00 C ATOM 430 OG1 THR A 366 57.767 -7.255 4.475 1.00 0.00 O ATOM 431 CG2 THR A 366 58.402 -9.177 3.110 1.00 0.00 C ATOM 0 H THR A 366 60.183 -5.994 4.466 1.00 0.00 H new ATOM 0 HA THR A 366 59.745 -8.633 5.607 1.00 0.00 H new ATOM 0 HB THR A 366 59.165 -7.242 2.975 1.00 0.00 H new ATOM 0 HG1 THR A 366 56.928 -7.431 3.999 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.555 -8.976 2.454 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.230 -9.573 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 366 58.111 -9.907 3.865 1.00 0.00 H new ATOM 439 N HIS A 367 61.863 -7.974 3.300 1.00 0.00 N ATOM 440 CA HIS A 367 62.892 -8.452 2.451 1.00 0.00 C ATOM 441 C HIS A 367 64.184 -8.191 3.113 1.00 0.00 C ATOM 442 O HIS A 367 64.384 -7.094 3.596 1.00 0.00 O ATOM 443 CB HIS A 367 62.796 -7.745 1.073 1.00 0.00 C ATOM 444 CG HIS A 367 61.672 -8.247 0.171 1.00 0.00 C ATOM 445 ND1 HIS A 367 60.809 -7.384 -0.494 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.345 -9.520 -0.147 1.00 0.00 C ATOM 447 CE1 HIS A 367 59.986 -8.187 -1.191 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.289 -9.469 -1.001 1.00 0.00 N ATOM 0 H HIS A 367 61.763 -6.959 3.296 1.00 0.00 H new ATOM 0 HA HIS A 367 62.795 -9.523 2.274 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.660 -6.676 1.238 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.745 -7.869 0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.834 -10.414 0.212 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.183 -7.837 -1.823 1.00 0.00 H new ATOM 0 HE2 HIS A 367 59.815 -10.269 -1.420 1.00 0.00 H new ATOM 456 N SER A 368 65.031 -9.183 3.168 1.00 0.00 N ATOM 457 CA SER A 368 66.293 -9.033 3.806 1.00 0.00 C ATOM 458 C SER A 368 67.221 -8.147 3.044 1.00 0.00 C ATOM 459 O SER A 368 67.053 -7.933 1.838 1.00 0.00 O ATOM 460 CB SER A 368 66.910 -10.370 4.164 1.00 0.00 C ATOM 461 OG SER A 368 67.015 -11.205 3.051 1.00 0.00 O ATOM 0 H SER A 368 64.860 -10.108 2.773 1.00 0.00 H new ATOM 0 HA SER A 368 66.108 -8.519 4.749 1.00 0.00 H new ATOM 0 HB2 SER A 368 67.899 -10.211 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.305 -10.857 4.928 1.00 0.00 H new ATOM 0 HG SER A 368 67.418 -12.057 3.318 1.00 0.00 H new ATOM 467 N LEU A 369 68.183 -7.630 3.761 1.00 0.00 N ATOM 468 CA LEU A 369 69.163 -6.696 3.293 1.00 0.00 C ATOM 469 C LEU A 369 69.802 -7.143 1.999 1.00 0.00 C ATOM 470 O LEU A 369 69.921 -6.343 1.051 1.00 0.00 O ATOM 471 CB LEU A 369 70.182 -6.464 4.431 1.00 0.00 C ATOM 472 CG LEU A 369 71.387 -5.538 4.191 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.497 -6.273 3.465 1.00 0.00 C ATOM 474 CD2 LEU A 369 70.972 -4.339 3.367 1.00 0.00 C ATOM 0 H LEU A 369 68.308 -7.866 4.745 1.00 0.00 H new ATOM 0 HA LEU A 369 68.689 -5.746 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.633 -6.070 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.572 -7.439 4.724 1.00 0.00 H new ATOM 0 HG LEU A 369 71.752 -5.208 5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.338 -5.598 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 369 72.822 -7.124 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.130 -6.627 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 369 71.835 -3.693 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.585 -4.675 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.197 -3.784 3.896 1.00 0.00 H new ATOM 486 N THR A 370 70.124 -8.406 1.920 1.00 0.00 N ATOM 487 CA THR A 370 70.783 -8.927 0.749 1.00 0.00 C ATOM 488 C THR A 370 69.855 -8.830 -0.459 1.00 0.00 C ATOM 489 O THR A 370 70.289 -8.585 -1.563 1.00 0.00 O ATOM 490 CB THR A 370 71.195 -10.389 0.929 1.00 0.00 C ATOM 491 OG1 THR A 370 71.871 -10.554 2.188 1.00 0.00 O ATOM 492 CG2 THR A 370 72.133 -10.772 -0.192 1.00 0.00 C ATOM 0 H THR A 370 69.942 -9.094 2.651 1.00 0.00 H new ATOM 0 HA THR A 370 71.680 -8.329 0.592 1.00 0.00 H new ATOM 0 HB THR A 370 70.309 -11.023 0.912 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.131 -11.492 2.299 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.434 -11.813 -0.075 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.627 -10.646 -1.149 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.016 -10.133 -0.162 1.00 0.00 H new ATOM 500 N GLN A 371 68.573 -8.924 -0.204 1.00 0.00 N ATOM 501 CA GLN A 371 67.591 -8.970 -1.268 1.00 0.00 C ATOM 502 C GLN A 371 67.373 -7.581 -1.803 1.00 0.00 C ATOM 503 O GLN A 371 67.067 -7.394 -2.973 1.00 0.00 O ATOM 504 CB GLN A 371 66.282 -9.546 -0.768 1.00 0.00 C ATOM 505 CG GLN A 371 66.486 -10.694 0.192 1.00 0.00 C ATOM 506 CD GLN A 371 65.239 -11.470 0.496 1.00 0.00 C ATOM 507 OE1 GLN A 371 65.283 -12.671 0.756 1.00 0.00 O ATOM 508 NE2 GLN A 371 64.137 -10.792 0.533 1.00 0.00 N ATOM 0 H GLN A 371 68.180 -8.971 0.736 1.00 0.00 H new ATOM 0 HA GLN A 371 67.963 -9.615 -2.064 1.00 0.00 H new ATOM 0 HB2 GLN A 371 65.708 -8.761 -0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.691 -9.887 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.231 -11.373 -0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 371 66.895 -10.305 1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 371 64.143 -9.797 0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 371 63.263 -11.253 0.785 1.00 0.00 H new ATOM 517 N ARG A 372 67.540 -6.590 -0.939 1.00 0.00 N ATOM 518 CA ARG A 372 67.442 -5.230 -1.398 1.00 0.00 C ATOM 519 C ARG A 372 68.667 -4.888 -2.217 1.00 0.00 C ATOM 520 O ARG A 372 68.562 -4.214 -3.227 1.00 0.00 O ATOM 521 CB ARG A 372 67.302 -4.187 -0.305 1.00 0.00 C ATOM 522 CG ARG A 372 66.049 -4.207 0.544 1.00 0.00 C ATOM 523 CD ARG A 372 66.176 -5.182 1.656 1.00 0.00 C ATOM 524 NE ARG A 372 65.585 -4.717 2.880 1.00 0.00 N ATOM 525 CZ ARG A 372 66.234 -4.156 3.928 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.492 -3.741 3.818 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.593 -3.987 5.070 1.00 0.00 N ATOM 0 H ARG A 372 67.738 -6.705 0.055 1.00 0.00 H new ATOM 0 HA ARG A 372 66.522 -5.193 -1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.158 -4.286 0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.373 -3.204 -0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.863 -3.212 0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.190 -4.466 -0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.704 -6.120 1.365 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.231 -5.395 1.826 1.00 0.00 H new ATOM 0 HE ARG A 372 64.574 -4.820 2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 372 67.987 -3.842 2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 372 67.962 -3.321 4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.619 -4.278 5.156 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.072 -3.566 5.866 1.00 0.00 H new ATOM 541 N ARG A 373 69.844 -5.354 -1.751 1.00 0.00 N ATOM 542 CA ARG A 373 71.100 -5.140 -2.480 1.00 0.00 C ATOM 543 C ARG A 373 71.106 -5.897 -3.803 1.00 0.00 C ATOM 544 O ARG A 373 71.747 -5.478 -4.777 1.00 0.00 O ATOM 545 CB ARG A 373 72.296 -5.585 -1.645 1.00 0.00 C ATOM 546 CG ARG A 373 72.689 -4.642 -0.539 1.00 0.00 C ATOM 547 CD ARG A 373 73.891 -5.183 0.216 1.00 0.00 C ATOM 548 NE ARG A 373 74.498 -4.188 1.112 1.00 0.00 N ATOM 549 CZ ARG A 373 75.296 -4.463 2.162 1.00 0.00 C ATOM 550 NH1 ARG A 373 75.609 -5.731 2.467 1.00 0.00 N ATOM 551 NH2 ARG A 373 75.766 -3.467 2.889 1.00 0.00 N ATOM 0 H ARG A 373 69.946 -5.876 -0.880 1.00 0.00 H new ATOM 0 HA ARG A 373 71.177 -4.072 -2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.073 -6.559 -1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.151 -5.721 -2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.923 -3.662 -0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.852 -4.506 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.587 -6.052 0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.639 -5.525 -0.499 1.00 0.00 H new ATOM 0 HE ARG A 373 74.298 -3.206 0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.242 -6.497 1.902 1.00 0.00 H new ATOM 0 HH12 ARG A 373 76.214 -5.929 3.264 1.00 0.00 H new ATOM 0 HH21 ARG A 373 75.524 -2.505 2.653 1.00 0.00 H new ATOM 0 HH22 ARG A 373 76.371 -3.659 3.687 1.00 0.00 H new ATOM 565 N ALA A 374 70.449 -7.030 -3.800 1.00 0.00 N ATOM 566 CA ALA A 374 70.314 -7.878 -4.985 1.00 0.00 C ATOM 567 C ALA A 374 69.641 -7.157 -6.150 1.00 0.00 C ATOM 568 O ALA A 374 70.142 -7.193 -7.289 1.00 0.00 O ATOM 569 CB ALA A 374 69.557 -9.158 -4.656 1.00 0.00 C ATOM 0 H ALA A 374 69.984 -7.404 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 374 71.327 -8.131 -5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.470 -9.770 -5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.097 -9.713 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 374 68.561 -8.908 -4.290 1.00 0.00 H new ATOM 575 N VAL A 375 68.532 -6.509 -5.884 1.00 0.00 N ATOM 576 CA VAL A 375 67.788 -5.830 -6.926 1.00 0.00 C ATOM 577 C VAL A 375 68.355 -4.441 -7.156 1.00 0.00 C ATOM 578 O VAL A 375 68.816 -3.770 -6.216 1.00 0.00 O ATOM 579 CB VAL A 375 66.260 -5.737 -6.590 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.988 -4.806 -5.420 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.454 -5.321 -7.808 1.00 0.00 C ATOM 0 H VAL A 375 68.121 -6.436 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 375 67.891 -6.420 -7.837 1.00 0.00 H new ATOM 0 HB VAL A 375 65.940 -6.736 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.916 -4.773 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.508 -5.172 -4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.344 -3.804 -5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.398 -5.265 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.794 -4.344 -8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.591 -6.054 -8.603 1.00 0.00 H new ATOM 591 N GLN A 376 68.375 -4.036 -8.392 1.00 0.00 N ATOM 592 CA GLN A 376 68.767 -2.712 -8.722 1.00 0.00 C ATOM 593 C GLN A 376 67.680 -1.744 -8.283 1.00 0.00 C ATOM 594 O GLN A 376 67.916 -0.950 -7.370 1.00 0.00 O ATOM 595 CB GLN A 376 69.144 -2.602 -10.204 1.00 0.00 C ATOM 596 CG GLN A 376 68.155 -3.263 -11.141 1.00 0.00 C ATOM 597 CD GLN A 376 68.511 -3.117 -12.590 1.00 0.00 C ATOM 598 OE1 GLN A 376 69.683 -3.056 -12.962 1.00 0.00 O ATOM 599 NE2 GLN A 376 67.522 -3.064 -13.421 1.00 0.00 N ATOM 0 H GLN A 376 68.120 -4.617 -9.191 1.00 0.00 H new ATOM 0 HA GLN A 376 69.673 -2.440 -8.181 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.232 -1.548 -10.469 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.126 -3.051 -10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 376 68.089 -4.323 -10.897 1.00 0.00 H new ATOM 0 HG3 GLN A 376 67.167 -2.835 -10.973 1.00 0.00 H new ATOM 0 HE21 GLN A 376 66.563 -3.118 -13.077 1.00 0.00 H new ATOM 0 HE22 GLN A 376 67.700 -2.969 -14.421 1.00 0.00 H new ATOM 608 N GLY A 377 66.467 -1.924 -8.838 1.00 0.00 N ATOM 609 CA GLY A 377 65.275 -1.126 -8.531 1.00 0.00 C ATOM 610 C GLY A 377 65.435 0.378 -8.598 1.00 0.00 C ATOM 611 O GLY A 377 64.957 1.026 -9.523 1.00 0.00 O ATOM 0 H GLY A 377 66.289 -2.650 -9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.483 -1.416 -9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.937 -1.389 -7.529 1.00 0.00 H new ATOM 615 N ARG A 378 66.118 0.887 -7.638 1.00 0.00 N ATOM 616 CA ARG A 378 66.287 2.275 -7.369 1.00 0.00 C ATOM 617 C ARG A 378 67.054 2.996 -8.440 1.00 0.00 C ATOM 618 O ARG A 378 67.601 2.412 -9.382 1.00 0.00 O ATOM 619 CB ARG A 378 67.047 2.389 -6.088 1.00 0.00 C ATOM 620 CG ARG A 378 66.426 1.629 -4.953 1.00 0.00 C ATOM 621 CD ARG A 378 67.489 1.169 -4.042 1.00 0.00 C ATOM 622 NE ARG A 378 66.922 0.184 -3.193 1.00 0.00 N ATOM 623 CZ ARG A 378 66.783 -1.083 -3.565 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.243 -1.479 -4.736 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.196 -1.950 -2.768 1.00 0.00 N ATOM 0 H ARG A 378 66.613 0.301 -6.966 1.00 0.00 H new ATOM 0 HA ARG A 378 65.299 2.734 -7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.063 2.027 -6.244 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.123 3.441 -5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 378 65.720 2.264 -4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 378 65.863 0.777 -5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.325 0.755 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 378 67.880 2.001 -3.457 1.00 0.00 H new ATOM 0 HE ARG A 378 66.609 0.459 -2.262 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.705 -0.812 -5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.137 -2.452 -5.023 1.00 0.00 H new ATOM 0 HH21 ARG A 378 65.845 -1.650 -1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.092 -2.922 -3.060 1.00 0.00 H new ATOM 639 N ARG A 379 67.106 4.269 -8.256 1.00 0.00 N ATOM 640 CA ARG A 379 67.838 5.171 -9.096 1.00 0.00 C ATOM 641 C ARG A 379 69.357 5.000 -8.892 1.00 0.00 C ATOM 642 O ARG A 379 70.151 5.351 -9.757 1.00 0.00 O ATOM 643 CB ARG A 379 67.377 6.607 -8.766 1.00 0.00 C ATOM 644 CG ARG A 379 67.446 6.956 -7.278 1.00 0.00 C ATOM 645 CD ARG A 379 66.697 8.218 -6.951 1.00 0.00 C ATOM 646 NE ARG A 379 66.808 8.553 -5.521 1.00 0.00 N ATOM 647 CZ ARG A 379 66.012 9.398 -4.858 1.00 0.00 C ATOM 648 NH1 ARG A 379 64.987 9.978 -5.466 1.00 0.00 N ATOM 649 NH2 ARG A 379 66.259 9.654 -3.581 1.00 0.00 N ATOM 0 H ARG A 379 66.623 4.735 -7.488 1.00 0.00 H new ATOM 0 HA ARG A 379 67.640 4.957 -10.146 1.00 0.00 H new ATOM 0 HB2 ARG A 379 67.993 7.313 -9.323 1.00 0.00 H new ATOM 0 HB3 ARG A 379 66.352 6.737 -9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.036 6.132 -6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 379 68.489 7.068 -6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 379 67.087 9.040 -7.550 1.00 0.00 H new ATOM 0 HD3 ARG A 379 65.647 8.099 -7.218 1.00 0.00 H new ATOM 0 HE ARG A 379 67.555 8.102 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 379 64.799 9.781 -6.449 1.00 0.00 H new ATOM 0 HH12 ARG A 379 64.386 10.621 -4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 379 67.049 9.208 -3.115 1.00 0.00 H new ATOM 0 HH22 ARG A 379 65.659 10.297 -3.064 1.00 0.00 H new ATOM 663 N LYS A 380 69.736 4.447 -7.743 1.00 0.00 N ATOM 664 CA LYS A 380 71.092 4.281 -7.322 1.00 0.00 C ATOM 665 C LYS A 380 71.226 2.902 -6.699 1.00 0.00 C ATOM 666 O LYS A 380 70.263 2.119 -6.716 1.00 0.00 O ATOM 667 CB LYS A 380 71.323 5.278 -6.240 1.00 0.00 C ATOM 668 CG LYS A 380 71.042 6.677 -6.621 1.00 0.00 C ATOM 669 CD LYS A 380 70.784 7.510 -5.401 1.00 0.00 C ATOM 670 CE LYS A 380 70.328 8.899 -5.822 1.00 0.00 C ATOM 671 NZ LYS A 380 70.180 9.828 -4.695 1.00 0.00 N ATOM 0 H LYS A 380 69.064 4.092 -7.062 1.00 0.00 H new ATOM 0 HA LYS A 380 71.788 4.402 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 380 70.700 5.016 -5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.360 5.206 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.886 7.086 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.177 6.713 -7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 380 70.022 7.038 -4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 380 71.689 7.580 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 380 71.046 9.310 -6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 380 69.375 8.818 -6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 70.085 10.799 -5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 69.332 9.577 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 71.018 9.767 -4.082 1.00 0.00 H new ATOM 685 N ARG A 381 72.410 2.600 -6.177 1.00 0.00 N ATOM 686 CA ARG A 381 72.640 1.378 -5.410 1.00 0.00 C ATOM 687 C ARG A 381 71.747 1.378 -4.201 1.00 0.00 C ATOM 688 O ARG A 381 71.266 2.423 -3.771 1.00 0.00 O ATOM 689 CB ARG A 381 74.115 1.256 -4.965 1.00 0.00 C ATOM 690 CG ARG A 381 75.111 1.258 -6.109 1.00 0.00 C ATOM 691 CD ARG A 381 74.631 0.336 -7.183 1.00 0.00 C ATOM 692 NE ARG A 381 75.540 0.216 -8.311 1.00 0.00 N ATOM 693 CZ ARG A 381 75.175 -0.200 -9.526 1.00 0.00 C ATOM 694 NH1 ARG A 381 73.889 -0.415 -9.804 1.00 0.00 N ATOM 695 NH2 ARG A 381 76.081 -0.364 -10.466 1.00 0.00 N ATOM 0 H ARG A 381 73.235 3.192 -6.272 1.00 0.00 H new ATOM 0 HA ARG A 381 72.412 0.525 -6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.349 2.081 -4.292 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.236 0.335 -4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.226 2.267 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 381 76.092 0.941 -5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 381 74.470 -0.653 -6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 381 73.665 0.688 -7.544 1.00 0.00 H new ATOM 0 HE ARG A 381 76.518 0.465 -8.165 1.00 0.00 H new ATOM 0 HH11 ARG A 381 73.180 -0.262 -9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 381 73.614 -0.733 -10.734 1.00 0.00 H new ATOM 0 HH21 ARG A 381 77.063 -0.173 -10.267 1.00 0.00 H new ATOM 0 HH22 ARG A 381 75.801 -0.682 -11.394 1.00 0.00 H new ATOM 709 N PHE A 382 71.532 0.248 -3.646 1.00 0.00 N ATOM 710 CA PHE A 382 70.656 0.151 -2.528 1.00 0.00 C ATOM 711 C PHE A 382 71.211 0.837 -1.293 1.00 0.00 C ATOM 712 O PHE A 382 70.506 1.550 -0.618 1.00 0.00 O ATOM 713 CB PHE A 382 70.281 -1.291 -2.224 1.00 0.00 C ATOM 714 CG PHE A 382 69.595 -1.408 -0.904 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.378 -0.828 -0.729 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.180 -2.044 0.159 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.738 -0.852 0.449 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.533 -2.086 1.363 1.00 0.00 C ATOM 719 CZ PHE A 382 68.305 -1.481 1.504 1.00 0.00 C ATOM 0 H PHE A 382 71.950 -0.633 -3.944 1.00 0.00 H new ATOM 0 HA PHE A 382 69.747 0.681 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.629 -1.672 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.178 -1.910 -2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 382 67.911 -0.331 -1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 382 71.148 -2.510 0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.776 -0.372 0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 382 69.985 -2.593 2.202 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.795 -1.508 2.455 1.00 0.00 H new ATOM 729 N ASP A 383 72.452 0.640 -1.038 1.00 0.00 N ATOM 730 CA ASP A 383 73.090 1.153 0.167 1.00 0.00 C ATOM 731 C ASP A 383 73.160 2.646 0.142 1.00 0.00 C ATOM 732 O ASP A 383 72.976 3.305 1.162 1.00 0.00 O ATOM 733 CB ASP A 383 74.487 0.621 0.295 1.00 0.00 C ATOM 734 CG ASP A 383 74.563 -0.863 0.575 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.545 -1.672 -0.374 1.00 0.00 O ATOM 736 OD2 ASP A 383 74.658 -1.250 1.762 1.00 0.00 O ATOM 0 H ASP A 383 73.078 0.117 -1.650 1.00 0.00 H new ATOM 0 HA ASP A 383 72.487 0.827 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.030 0.834 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 383 74.996 1.157 1.096 1.00 0.00 H new ATOM 741 N VAL A 384 73.395 3.173 -1.029 1.00 0.00 N ATOM 742 CA VAL A 384 73.528 4.591 -1.228 1.00 0.00 C ATOM 743 C VAL A 384 72.145 5.240 -1.098 1.00 0.00 C ATOM 744 O VAL A 384 71.994 6.330 -0.573 1.00 0.00 O ATOM 745 CB VAL A 384 74.163 4.843 -2.611 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.221 4.676 -3.737 1.00 0.00 C ATOM 747 CG2 VAL A 384 74.949 6.114 -2.716 1.00 0.00 C ATOM 0 H VAL A 384 73.501 2.624 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 384 74.179 5.037 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 384 74.897 4.042 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 384 73.739 4.869 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 384 72.834 3.657 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.395 5.378 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.358 6.207 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.297 6.963 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.765 6.098 -1.993 1.00 0.00 H new ATOM 757 N LEU A 385 71.155 4.511 -1.538 1.00 0.00 N ATOM 758 CA LEU A 385 69.799 4.873 -1.443 1.00 0.00 C ATOM 759 C LEU A 385 69.350 4.789 0.010 1.00 0.00 C ATOM 760 O LEU A 385 68.656 5.669 0.519 1.00 0.00 O ATOM 761 CB LEU A 385 69.022 3.913 -2.347 1.00 0.00 C ATOM 762 CG LEU A 385 67.537 4.107 -2.496 1.00 0.00 C ATOM 763 CD1 LEU A 385 66.855 3.416 -1.346 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.233 5.592 -2.518 1.00 0.00 C ATOM 0 H LEU A 385 71.298 3.608 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 385 69.623 5.899 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.464 3.964 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.188 2.902 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 385 67.171 3.677 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 385 65.776 3.543 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.098 2.353 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.197 3.850 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.159 5.742 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.571 6.046 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 385 67.750 6.057 -3.357 1.00 0.00 H new ATOM 776 N LEU A 386 69.744 3.729 0.666 1.00 0.00 N ATOM 777 CA LEU A 386 69.410 3.536 2.053 1.00 0.00 C ATOM 778 C LEU A 386 70.057 4.637 2.872 1.00 0.00 C ATOM 779 O LEU A 386 69.545 5.022 3.896 1.00 0.00 O ATOM 780 CB LEU A 386 69.913 2.211 2.558 1.00 0.00 C ATOM 781 CG LEU A 386 68.946 1.319 3.372 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.713 0.215 4.037 1.00 0.00 C ATOM 783 CD2 LEU A 386 68.131 2.080 4.400 1.00 0.00 C ATOM 0 H LEU A 386 70.302 2.979 0.257 1.00 0.00 H new ATOM 0 HA LEU A 386 68.324 3.559 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.251 1.634 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.789 2.403 3.178 1.00 0.00 H new ATOM 0 HG LEU A 386 68.229 0.910 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 386 69.028 -0.411 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.210 -0.390 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.459 0.643 4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.477 1.388 4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.801 2.563 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.528 2.837 3.898 1.00 0.00 H new ATOM 795 N ALA A 387 71.194 5.129 2.399 1.00 0.00 N ATOM 796 CA ALA A 387 71.889 6.229 3.041 1.00 0.00 C ATOM 797 C ALA A 387 71.007 7.481 3.041 1.00 0.00 C ATOM 798 O ALA A 387 71.017 8.254 4.000 1.00 0.00 O ATOM 799 CB ALA A 387 73.215 6.497 2.354 1.00 0.00 C ATOM 0 H ALA A 387 71.657 4.776 1.562 1.00 0.00 H new ATOM 0 HA ALA A 387 72.098 5.956 4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.721 7.325 2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.840 5.605 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 387 73.038 6.753 1.309 1.00 0.00 H new ATOM 805 N GLU A 388 70.219 7.656 1.980 1.00 0.00 N ATOM 806 CA GLU A 388 69.272 8.743 1.895 1.00 0.00 C ATOM 807 C GLU A 388 68.164 8.478 2.888 1.00 0.00 C ATOM 808 O GLU A 388 67.735 9.372 3.621 1.00 0.00 O ATOM 809 CB GLU A 388 68.674 8.816 0.503 1.00 0.00 C ATOM 810 CG GLU A 388 69.681 8.910 -0.610 1.00 0.00 C ATOM 811 CD GLU A 388 69.076 9.415 -1.889 1.00 0.00 C ATOM 812 OE1 GLU A 388 69.023 10.635 -2.071 1.00 0.00 O ATOM 813 OE2 GLU A 388 68.675 8.617 -2.772 1.00 0.00 O ATOM 0 H GLU A 388 70.227 7.045 1.163 1.00 0.00 H new ATOM 0 HA GLU A 388 69.777 9.685 2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.056 7.933 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 388 68.014 9.682 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.491 9.573 -0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 388 70.121 7.928 -0.782 1.00 0.00 H new ATOM 820 N HIS A 389 67.718 7.223 2.914 1.00 0.00 N ATOM 821 CA HIS A 389 66.723 6.776 3.857 1.00 0.00 C ATOM 822 C HIS A 389 67.156 7.052 5.259 1.00 0.00 C ATOM 823 O HIS A 389 66.402 7.555 6.014 1.00 0.00 O ATOM 824 CB HIS A 389 66.386 5.300 3.689 1.00 0.00 C ATOM 825 CG HIS A 389 65.440 4.826 4.715 1.00 0.00 C ATOM 826 ND1 HIS A 389 64.188 5.309 4.858 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.662 4.046 5.753 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.692 4.859 5.963 1.00 0.00 C ATOM 829 NE2 HIS A 389 64.570 4.075 6.523 1.00 0.00 N ATOM 0 H HIS A 389 68.043 6.496 2.277 1.00 0.00 H new ATOM 0 HA HIS A 389 65.816 7.343 3.648 1.00 0.00 H new ATOM 0 HB2 HIS A 389 65.959 5.137 2.700 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.302 4.711 3.742 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.712 5.928 4.202 1.00 0.00 H new ATOM 0 HD2 HIS A 389 66.564 3.484 5.947 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.714 5.093 6.357 1.00 0.00 H new ATOM 838 N LYS A 390 68.340 6.665 5.598 1.00 0.00 N ATOM 839 CA LYS A 390 68.882 6.922 6.898 1.00 0.00 C ATOM 840 C LYS A 390 69.111 8.353 7.144 1.00 0.00 C ATOM 841 O LYS A 390 69.164 8.749 8.218 1.00 0.00 O ATOM 842 CB LYS A 390 70.074 6.097 7.191 1.00 0.00 C ATOM 843 CG LYS A 390 69.800 4.627 6.949 1.00 0.00 C ATOM 844 CD LYS A 390 68.544 4.133 7.697 1.00 0.00 C ATOM 845 CE LYS A 390 68.770 4.000 9.175 1.00 0.00 C ATOM 846 NZ LYS A 390 69.975 3.209 9.527 1.00 0.00 N ATOM 0 H LYS A 390 68.968 6.156 4.977 1.00 0.00 H new ATOM 0 HA LYS A 390 68.117 6.612 7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.906 6.422 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 390 70.377 6.247 8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.675 4.455 5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.663 4.042 7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.723 4.827 7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 390 68.239 3.168 7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.860 4.995 9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.895 3.532 9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.910 2.900 10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 70.037 2.376 8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.824 3.796 9.403 1.00 0.00 H new ATOM 860 N ASN A 391 69.309 9.115 6.164 1.00 0.00 N ATOM 861 CA ASN A 391 69.391 10.533 6.432 1.00 0.00 C ATOM 862 C ASN A 391 68.039 11.072 6.951 1.00 0.00 C ATOM 863 O ASN A 391 67.998 11.997 7.767 1.00 0.00 O ATOM 864 CB ASN A 391 69.948 11.327 5.245 1.00 0.00 C ATOM 865 CG ASN A 391 71.445 11.534 5.297 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.929 12.499 5.887 1.00 0.00 O ATOM 867 ND2 ASN A 391 72.188 10.663 4.668 1.00 0.00 N ATOM 0 H ASN A 391 69.418 8.829 5.191 1.00 0.00 H new ATOM 0 HA ASN A 391 70.118 10.679 7.231 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.695 10.807 4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.457 12.300 5.208 1.00 0.00 H new ATOM 0 HD21 ASN A 391 73.202 10.772 4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.754 9.874 4.189 1.00 0.00 H new ATOM 874 N LYS A 392 66.956 10.457 6.514 1.00 0.00 N ATOM 875 CA LYS A 392 65.643 10.779 6.999 1.00 0.00 C ATOM 876 C LYS A 392 65.267 9.891 8.216 1.00 0.00 C ATOM 877 O LYS A 392 65.183 10.350 9.343 1.00 0.00 O ATOM 878 CB LYS A 392 64.633 10.558 5.881 1.00 0.00 C ATOM 879 CG LYS A 392 63.219 10.874 6.278 1.00 0.00 C ATOM 880 CD LYS A 392 63.036 12.354 6.574 1.00 0.00 C ATOM 881 CE LYS A 392 61.582 12.711 6.833 1.00 0.00 C ATOM 882 NZ LYS A 392 60.993 11.944 7.951 1.00 0.00 N ATOM 0 H LYS A 392 66.971 9.719 5.810 1.00 0.00 H new ATOM 0 HA LYS A 392 65.633 11.821 7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.908 11.176 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.687 9.520 5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.541 10.576 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.949 10.291 7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 392 63.636 12.626 7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 392 63.408 12.940 5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 392 61.508 13.776 7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 392 61.002 12.529 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 60.036 12.299 8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 60.943 10.938 7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 61.585 12.055 8.799 1.00 0.00 H new ATOM 896 N THR A 393 65.134 8.610 7.965 1.00 0.00 N ATOM 897 CA THR A 393 64.694 7.623 8.923 1.00 0.00 C ATOM 898 C THR A 393 65.904 6.804 9.430 1.00 0.00 C ATOM 899 O THR A 393 66.001 5.583 9.330 1.00 0.00 O ATOM 900 CB THR A 393 63.705 6.715 8.269 1.00 0.00 C ATOM 901 OG1 THR A 393 62.734 7.507 7.560 1.00 0.00 O ATOM 902 CG2 THR A 393 63.009 5.814 9.281 1.00 0.00 C ATOM 0 H THR A 393 65.338 8.210 7.049 1.00 0.00 H new ATOM 0 HA THR A 393 64.227 8.122 9.773 1.00 0.00 H new ATOM 0 HB THR A 393 64.240 6.069 7.573 1.00 0.00 H new ATOM 0 HG1 THR A 393 62.083 6.916 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 393 62.298 5.169 8.765 1.00 0.00 H new ATOM 0 HG22 THR A 393 63.751 5.200 9.792 1.00 0.00 H new ATOM 0 HG23 THR A 393 62.480 6.427 10.011 1.00 0.00 H new ATOM 910 N ARG A 394 66.819 7.559 9.796 1.00 0.00 N ATOM 911 CA ARG A 394 68.087 7.260 10.514 1.00 0.00 C ATOM 912 C ARG A 394 68.001 6.325 11.745 1.00 0.00 C ATOM 913 O ARG A 394 68.986 6.178 12.474 1.00 0.00 O ATOM 914 CB ARG A 394 68.740 8.598 10.916 1.00 0.00 C ATOM 915 CG ARG A 394 67.828 9.551 11.609 1.00 0.00 C ATOM 916 CD ARG A 394 68.520 10.849 11.932 1.00 0.00 C ATOM 917 NE ARG A 394 68.848 11.590 10.706 1.00 0.00 N ATOM 918 CZ ARG A 394 69.976 12.256 10.484 1.00 0.00 C ATOM 919 NH1 ARG A 394 70.934 12.289 11.406 1.00 0.00 N ATOM 920 NH2 ARG A 394 70.143 12.888 9.337 1.00 0.00 N ATOM 0 H ARG A 394 66.751 8.558 9.603 1.00 0.00 H new ATOM 0 HA ARG A 394 68.685 6.686 9.806 1.00 0.00 H new ATOM 0 HB2 ARG A 394 69.590 8.391 11.566 1.00 0.00 H new ATOM 0 HB3 ARG A 394 69.133 9.079 10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 394 66.961 9.748 10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 394 67.458 9.097 12.528 1.00 0.00 H new ATOM 0 HD2 ARG A 394 67.879 11.458 12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 394 69.432 10.649 12.495 1.00 0.00 H new ATOM 0 HE ARG A 394 68.150 11.593 9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 394 70.806 11.800 12.292 1.00 0.00 H new ATOM 0 HH12 ARG A 394 71.797 12.803 11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 394 69.409 12.863 8.629 1.00 0.00 H new ATOM 0 HH22 ARG A 394 71.006 13.402 9.159 1.00 0.00 H new ATOM 934 N GLU A 395 66.901 5.657 11.936 1.00 0.00 N ATOM 935 CA GLU A 395 66.804 4.713 12.982 1.00 0.00 C ATOM 936 C GLU A 395 66.440 3.320 12.497 1.00 0.00 C ATOM 937 O GLU A 395 65.459 3.112 11.785 1.00 0.00 O ATOM 938 CB GLU A 395 66.002 5.215 14.176 1.00 0.00 C ATOM 939 CG GLU A 395 64.703 5.901 13.873 1.00 0.00 C ATOM 940 CD GLU A 395 63.583 4.983 13.466 1.00 0.00 C ATOM 941 OE1 GLU A 395 63.118 4.195 14.303 1.00 0.00 O ATOM 942 OE2 GLU A 395 63.113 5.070 12.328 1.00 0.00 O ATOM 0 H GLU A 395 66.059 5.758 11.370 1.00 0.00 H new ATOM 0 HA GLU A 395 67.812 4.596 13.381 1.00 0.00 H new ATOM 0 HB2 GLU A 395 65.795 4.366 14.828 1.00 0.00 H new ATOM 0 HB3 GLU A 395 66.628 5.906 14.741 1.00 0.00 H new ATOM 0 HG2 GLU A 395 64.391 6.463 14.754 1.00 0.00 H new ATOM 0 HG3 GLU A 395 64.868 6.625 13.075 1.00 0.00 H new ATOM 949 N LYS A 396 67.325 2.415 12.789 1.00 0.00 N ATOM 950 CA LYS A 396 67.198 1.016 12.517 1.00 0.00 C ATOM 951 C LYS A 396 67.642 0.321 13.793 1.00 0.00 C ATOM 952 O LYS A 396 68.223 0.997 14.668 1.00 0.00 O ATOM 953 CB LYS A 396 68.107 0.623 11.334 1.00 0.00 C ATOM 954 CG LYS A 396 68.055 -0.860 10.972 1.00 0.00 C ATOM 955 CD LYS A 396 68.815 -1.140 9.711 1.00 0.00 C ATOM 956 CE LYS A 396 68.840 -2.642 9.390 1.00 0.00 C ATOM 957 NZ LYS A 396 69.566 -2.943 8.154 1.00 0.00 N ATOM 0 H LYS A 396 68.205 2.647 13.250 1.00 0.00 H new ATOM 0 HA LYS A 396 66.181 0.738 12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 396 67.822 1.209 10.460 1.00 0.00 H new ATOM 0 HB3 LYS A 396 69.136 0.891 11.576 1.00 0.00 H new ATOM 0 HG2 LYS A 396 68.471 -1.451 11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 396 67.017 -1.171 10.850 1.00 0.00 H new ATOM 0 HD2 LYS A 396 68.360 -0.597 8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 396 69.836 -0.771 9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 396 69.302 -3.179 10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 396 67.817 -3.008 9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 69.552 -3.969 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 69.111 -2.454 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 70.551 -2.620 8.242 1.00 0.00 H new ATOM 971 N GLU A 397 67.345 -0.952 13.957 1.00 0.00 N ATOM 972 CA GLU A 397 67.776 -1.705 15.110 1.00 0.00 C ATOM 973 C GLU A 397 69.286 -1.929 15.060 1.00 0.00 C ATOM 974 O GLU A 397 69.766 -2.967 14.598 1.00 0.00 O ATOM 975 CB GLU A 397 67.066 -3.053 15.215 1.00 0.00 C ATOM 976 CG GLU A 397 65.569 -3.003 15.027 1.00 0.00 C ATOM 977 CD GLU A 397 65.167 -3.065 13.568 1.00 0.00 C ATOM 978 OE1 GLU A 397 65.139 -2.018 12.892 1.00 0.00 O ATOM 979 OE2 GLU A 397 64.893 -4.169 13.059 1.00 0.00 O ATOM 0 H GLU A 397 66.795 -1.493 13.289 1.00 0.00 H new ATOM 0 HA GLU A 397 67.516 -1.119 15.991 1.00 0.00 H new ATOM 0 HB2 GLU A 397 67.488 -3.728 14.470 1.00 0.00 H new ATOM 0 HB3 GLU A 397 67.280 -3.484 16.193 1.00 0.00 H new ATOM 0 HG2 GLU A 397 65.110 -3.834 15.563 1.00 0.00 H new ATOM 0 HG3 GLU A 397 65.181 -2.086 15.469 1.00 0.00 H new TER 986 GLU A 397 HETATM 987 ZN ZN A 500 60.489 -5.325 -0.057 1.00 0.00 ZN