USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 321 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 371 HIS HE2 : A 371 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 375 HIS HE2 : A 375 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD Single : A 340 SER OG : rot 180:sc= 0 USER MOD Single : A 341 SER OG : rot 180:sc= 0 USER MOD Single : A 343 SER OG : rot 9:sc= 0.207! USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 346 THR OG1 : rot 180:sc= 0 USER MOD Single : A 349 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 354 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot 180:sc= -0.608 USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 374 SER OG : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 379 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 385 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 339 6.779 12.816 13.105 1.00 0.00 N ATOM 2 CA GLY A 339 7.251 11.526 13.573 1.00 0.00 C ATOM 3 C GLY A 339 8.756 11.382 13.455 1.00 0.00 C ATOM 4 O GLY A 339 9.455 12.344 13.138 1.00 0.00 O ATOM 0 HA2 GLY A 339 6.957 11.390 14.614 1.00 0.00 H new ATOM 0 HA3 GLY A 339 6.767 10.735 12.999 1.00 0.00 H new ATOM 8 N SER A 340 9.255 10.177 13.711 1.00 0.00 N ATOM 9 CA SER A 340 10.687 9.912 13.636 1.00 0.00 C ATOM 10 C SER A 340 11.050 9.257 12.307 1.00 0.00 C ATOM 11 O SER A 340 10.175 8.823 11.557 1.00 0.00 O ATOM 12 CB SER A 340 11.121 9.013 14.795 1.00 0.00 C ATOM 13 OG SER A 340 11.486 9.782 15.929 1.00 0.00 O ATOM 0 H SER A 340 8.689 9.369 13.972 1.00 0.00 H new ATOM 0 HA SER A 340 11.212 10.865 13.707 1.00 0.00 H new ATOM 0 HB2 SER A 340 10.309 8.335 15.058 1.00 0.00 H new ATOM 0 HB3 SER A 340 11.964 8.395 14.484 1.00 0.00 H new ATOM 0 HG SER A 340 11.758 9.184 16.656 1.00 0.00 H new ATOM 19 N SER A 341 12.346 9.191 12.021 1.00 0.00 N ATOM 20 CA SER A 341 12.826 8.593 10.781 1.00 0.00 C ATOM 21 C SER A 341 13.466 7.233 11.045 1.00 0.00 C ATOM 22 O SER A 341 14.101 7.024 12.077 1.00 0.00 O ATOM 23 CB SER A 341 13.835 9.520 10.100 1.00 0.00 C ATOM 24 OG SER A 341 14.979 9.714 10.913 1.00 0.00 O ATOM 0 H SER A 341 13.083 9.544 12.631 1.00 0.00 H new ATOM 0 HA SER A 341 11.970 8.451 10.121 1.00 0.00 H new ATOM 0 HB2 SER A 341 14.134 9.096 9.141 1.00 0.00 H new ATOM 0 HB3 SER A 341 13.366 10.482 9.891 1.00 0.00 H new ATOM 0 HG SER A 341 15.609 10.308 10.455 1.00 0.00 H new ATOM 30 N GLY A 342 13.293 6.311 10.102 1.00 0.00 N ATOM 31 CA GLY A 342 13.859 4.983 10.251 1.00 0.00 C ATOM 32 C GLY A 342 15.333 4.939 9.901 1.00 0.00 C ATOM 33 O GLY A 342 16.092 5.837 10.265 1.00 0.00 O ATOM 0 H GLY A 342 12.771 6.460 9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 342 13.722 4.646 11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 342 13.316 4.286 9.612 1.00 0.00 H new ATOM 37 N SER A 343 15.740 3.889 9.195 1.00 0.00 N ATOM 38 CA SER A 343 17.135 3.728 8.801 1.00 0.00 C ATOM 39 C SER A 343 17.457 4.584 7.580 1.00 0.00 C ATOM 40 O SER A 343 16.749 4.541 6.574 1.00 0.00 O ATOM 41 CB SER A 343 17.436 2.258 8.501 1.00 0.00 C ATOM 42 OG SER A 343 16.964 1.893 7.215 1.00 0.00 O ATOM 0 H SER A 343 15.124 3.138 8.884 1.00 0.00 H new ATOM 0 HA SER A 343 17.761 4.058 9.630 1.00 0.00 H new ATOM 0 HB2 SER A 343 18.510 2.084 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 343 16.969 1.626 9.256 1.00 0.00 H new ATOM 0 HG SER A 343 16.672 2.695 6.734 1.00 0.00 H new ATOM 48 N SER A 344 18.531 5.361 7.676 1.00 0.00 N ATOM 49 CA SER A 344 18.946 6.231 6.582 1.00 0.00 C ATOM 50 C SER A 344 19.811 5.470 5.581 1.00 0.00 C ATOM 51 O SER A 344 20.327 4.394 5.881 1.00 0.00 O ATOM 52 CB SER A 344 19.715 7.437 7.124 1.00 0.00 C ATOM 53 OG SER A 344 18.829 8.434 7.601 1.00 0.00 O ATOM 0 H SER A 344 19.130 5.406 8.501 1.00 0.00 H new ATOM 0 HA SER A 344 18.050 6.581 6.070 1.00 0.00 H new ATOM 0 HB2 SER A 344 20.377 7.118 7.930 1.00 0.00 H new ATOM 0 HB3 SER A 344 20.346 7.853 6.339 1.00 0.00 H new ATOM 0 HG SER A 344 19.345 9.193 7.944 1.00 0.00 H new ATOM 59 N GLY A 345 19.964 6.038 4.389 1.00 0.00 N ATOM 60 CA GLY A 345 20.767 5.401 3.361 1.00 0.00 C ATOM 61 C GLY A 345 19.943 4.512 2.450 1.00 0.00 C ATOM 62 O GLY A 345 19.447 4.959 1.416 1.00 0.00 O ATOM 0 H GLY A 345 19.546 6.928 4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 345 21.263 6.167 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 345 21.550 4.807 3.832 1.00 0.00 H new ATOM 66 N THR A 346 19.797 3.247 2.834 1.00 0.00 N ATOM 67 CA THR A 346 19.031 2.292 2.044 1.00 0.00 C ATOM 68 C THR A 346 18.007 1.562 2.905 1.00 0.00 C ATOM 69 O THR A 346 18.322 1.094 3.998 1.00 0.00 O ATOM 70 CB THR A 346 19.949 1.256 1.369 1.00 0.00 C ATOM 71 OG1 THR A 346 20.718 0.564 2.359 1.00 0.00 O ATOM 72 CG2 THR A 346 20.883 1.929 0.373 1.00 0.00 C ATOM 0 H THR A 346 20.200 2.861 3.688 1.00 0.00 H new ATOM 0 HA THR A 346 18.513 2.863 1.274 1.00 0.00 H new ATOM 0 HB THR A 346 19.323 0.543 0.832 1.00 0.00 H new ATOM 0 HG1 THR A 346 21.298 -0.094 1.922 1.00 0.00 H new ATOM 0 HG21 THR A 346 21.522 1.178 -0.091 1.00 0.00 H new ATOM 0 HG22 THR A 346 20.295 2.431 -0.396 1.00 0.00 H new ATOM 0 HG23 THR A 346 21.502 2.661 0.892 1.00 0.00 H new ATOM 80 N GLY A 347 16.779 1.467 2.405 1.00 0.00 N ATOM 81 CA GLY A 347 15.727 0.791 3.142 1.00 0.00 C ATOM 82 C GLY A 347 14.474 1.634 3.268 1.00 0.00 C ATOM 83 O GLY A 347 14.001 1.892 4.374 1.00 0.00 O ATOM 0 H GLY A 347 16.494 1.846 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 347 15.482 -0.146 2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 347 16.091 0.536 4.137 1.00 0.00 H new ATOM 87 N GLU A 348 13.935 2.064 2.131 1.00 0.00 N ATOM 88 CA GLU A 348 12.730 2.885 2.120 1.00 0.00 C ATOM 89 C GLU A 348 11.570 2.138 1.468 1.00 0.00 C ATOM 90 O GLU A 348 11.774 1.211 0.685 1.00 0.00 O ATOM 91 CB GLU A 348 12.987 4.198 1.378 1.00 0.00 C ATOM 92 CG GLU A 348 11.959 5.276 1.675 1.00 0.00 C ATOM 93 CD GLU A 348 12.395 6.647 1.195 1.00 0.00 C ATOM 94 OE1 GLU A 348 13.487 7.097 1.598 1.00 0.00 O ATOM 95 OE2 GLU A 348 11.643 7.268 0.415 1.00 0.00 O ATOM 0 H GLU A 348 14.314 1.858 1.207 1.00 0.00 H new ATOM 0 HA GLU A 348 12.463 3.107 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 348 13.977 4.568 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 348 12.998 4.003 0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 348 11.014 5.012 1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 348 11.776 5.312 2.749 1.00 0.00 H new ATOM 102 N LYS A 349 10.350 2.549 1.799 1.00 0.00 N ATOM 103 CA LYS A 349 9.155 1.921 1.247 1.00 0.00 C ATOM 104 C LYS A 349 8.525 2.802 0.172 1.00 0.00 C ATOM 105 O LYS A 349 7.726 3.694 0.457 1.00 0.00 O ATOM 106 CB LYS A 349 8.138 1.647 2.357 1.00 0.00 C ATOM 107 CG LYS A 349 8.677 0.767 3.472 1.00 0.00 C ATOM 108 CD LYS A 349 7.755 0.770 4.679 1.00 0.00 C ATOM 109 CE LYS A 349 8.215 -0.227 5.733 1.00 0.00 C ATOM 110 NZ LYS A 349 7.134 -0.540 6.708 1.00 0.00 N ATOM 0 H LYS A 349 10.163 3.314 2.447 1.00 0.00 H new ATOM 0 HA LYS A 349 9.449 0.976 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 349 7.811 2.596 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 349 7.258 1.171 1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 349 8.796 -0.253 3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 349 9.666 1.117 3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 349 7.723 1.770 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 349 6.740 0.526 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 349 8.542 -1.146 5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 349 9.077 0.177 6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 7.486 -1.222 7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 6.839 0.332 7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 6.321 -0.949 6.205 1.00 0.00 H new ATOM 124 N PRO A 350 8.891 2.547 -1.093 1.00 0.00 N ATOM 125 CA PRO A 350 8.371 3.304 -2.235 1.00 0.00 C ATOM 126 C PRO A 350 6.897 3.017 -2.500 1.00 0.00 C ATOM 127 O PRO A 350 6.138 3.910 -2.877 1.00 0.00 O ATOM 128 CB PRO A 350 9.230 2.816 -3.405 1.00 0.00 C ATOM 129 CG PRO A 350 9.682 1.455 -3.000 1.00 0.00 C ATOM 130 CD PRO A 350 9.839 1.498 -1.505 1.00 0.00 C ATOM 0 HA PRO A 350 8.424 4.380 -2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 350 8.656 2.783 -4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 350 10.077 3.480 -3.578 1.00 0.00 H new ATOM 0 HG2 PRO A 350 8.954 0.699 -3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 350 10.624 1.197 -3.484 1.00 0.00 H new ATOM 0 HD2 PRO A 350 9.600 0.538 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 350 10.861 1.743 -1.215 1.00 0.00 H new ATOM 138 N PHE A 351 6.498 1.765 -2.299 1.00 0.00 N ATOM 139 CA PHE A 351 5.114 1.360 -2.516 1.00 0.00 C ATOM 140 C PHE A 351 4.190 2.008 -1.490 1.00 0.00 C ATOM 141 O PHE A 351 4.066 1.532 -0.362 1.00 0.00 O ATOM 142 CB PHE A 351 4.989 -0.163 -2.442 1.00 0.00 C ATOM 143 CG PHE A 351 5.834 -0.884 -3.453 1.00 0.00 C ATOM 144 CD1 PHE A 351 7.138 -1.244 -3.155 1.00 0.00 C ATOM 145 CD2 PHE A 351 5.323 -1.204 -4.700 1.00 0.00 C ATOM 146 CE1 PHE A 351 7.918 -1.907 -4.084 1.00 0.00 C ATOM 147 CE2 PHE A 351 6.098 -1.867 -5.633 1.00 0.00 C ATOM 148 CZ PHE A 351 7.397 -2.220 -5.324 1.00 0.00 C ATOM 0 H PHE A 351 7.113 1.014 -1.986 1.00 0.00 H new ATOM 0 HA PHE A 351 4.815 1.695 -3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 351 5.271 -0.494 -1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 351 3.945 -0.441 -2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 351 7.550 -1.004 -2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 351 4.307 -0.932 -4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 351 8.934 -2.180 -3.840 1.00 0.00 H new ATOM 0 HE2 PHE A 351 5.688 -2.109 -6.603 1.00 0.00 H new ATOM 0 HZ PHE A 351 8.004 -2.740 -6.051 1.00 0.00 H new ATOM 158 N ALA A 352 3.544 3.099 -1.890 1.00 0.00 N ATOM 159 CA ALA A 352 2.630 3.813 -1.006 1.00 0.00 C ATOM 160 C ALA A 352 1.180 3.594 -1.424 1.00 0.00 C ATOM 161 O ALA A 352 0.858 3.599 -2.613 1.00 0.00 O ATOM 162 CB ALA A 352 2.960 5.298 -0.995 1.00 0.00 C ATOM 0 H ALA A 352 3.637 3.507 -2.820 1.00 0.00 H new ATOM 0 HA ALA A 352 2.754 3.417 0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 352 2.270 5.819 -0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 352 3.981 5.441 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 352 2.865 5.699 -2.004 1.00 0.00 H new ATOM 168 N CYS A 353 0.309 3.401 -0.440 1.00 0.00 N ATOM 169 CA CYS A 353 -1.108 3.179 -0.705 1.00 0.00 C ATOM 170 C CYS A 353 -1.689 4.314 -1.543 1.00 0.00 C ATOM 171 O CYS A 353 -1.472 5.491 -1.251 1.00 0.00 O ATOM 172 CB CYS A 353 -1.880 3.054 0.610 1.00 0.00 C ATOM 173 SG CYS A 353 -3.653 2.688 0.399 1.00 0.00 S ATOM 0 H CYS A 353 0.559 3.394 0.549 1.00 0.00 H new ATOM 0 HA CYS A 353 -1.206 2.250 -1.266 1.00 0.00 H new ATOM 0 HB2 CYS A 353 -1.426 2.267 1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 353 -1.776 3.983 1.170 1.00 0.00 H new ATOM 178 N THR A 354 -2.430 3.953 -2.586 1.00 0.00 N ATOM 179 CA THR A 354 -3.041 4.940 -3.467 1.00 0.00 C ATOM 180 C THR A 354 -4.316 5.508 -2.855 1.00 0.00 C ATOM 181 O THR A 354 -4.787 6.573 -3.255 1.00 0.00 O ATOM 182 CB THR A 354 -3.373 4.334 -4.844 1.00 0.00 C ATOM 183 OG1 THR A 354 -2.214 3.694 -5.390 1.00 0.00 O ATOM 184 CG2 THR A 354 -3.864 5.408 -5.803 1.00 0.00 C ATOM 0 H THR A 354 -2.621 2.984 -2.841 1.00 0.00 H new ATOM 0 HA THR A 354 -2.314 5.742 -3.596 1.00 0.00 H new ATOM 0 HB THR A 354 -4.165 3.598 -4.711 1.00 0.00 H new ATOM 0 HG1 THR A 354 -2.434 3.310 -6.264 1.00 0.00 H new ATOM 0 HG21 THR A 354 -4.092 4.957 -6.769 1.00 0.00 H new ATOM 0 HG22 THR A 354 -4.763 5.874 -5.399 1.00 0.00 H new ATOM 0 HG23 THR A 354 -3.089 6.164 -5.930 1.00 0.00 H new ATOM 192 N TRP A 355 -4.870 4.792 -1.883 1.00 0.00 N ATOM 193 CA TRP A 355 -6.091 5.227 -1.214 1.00 0.00 C ATOM 194 C TRP A 355 -5.924 6.625 -0.630 1.00 0.00 C ATOM 195 O TRP A 355 -4.879 6.974 -0.082 1.00 0.00 O ATOM 196 CB TRP A 355 -6.470 4.241 -0.108 1.00 0.00 C ATOM 197 CG TRP A 355 -7.785 4.553 0.541 1.00 0.00 C ATOM 198 CD1 TRP A 355 -7.990 5.328 1.646 1.00 0.00 C ATOM 199 CD2 TRP A 355 -9.076 4.094 0.125 1.00 0.00 C ATOM 200 NE1 TRP A 355 -9.331 5.379 1.943 1.00 0.00 N ATOM 201 CE2 TRP A 355 -10.018 4.631 1.024 1.00 0.00 C ATOM 202 CE3 TRP A 355 -9.528 3.285 -0.921 1.00 0.00 C ATOM 203 CZ2 TRP A 355 -11.383 4.382 0.907 1.00 0.00 C ATOM 204 CZ3 TRP A 355 -10.883 3.038 -1.034 1.00 0.00 C ATOM 205 CH2 TRP A 355 -11.798 3.586 -0.125 1.00 0.00 C ATOM 0 H TRP A 355 -4.493 3.908 -1.541 1.00 0.00 H new ATOM 0 HA TRP A 355 -6.890 5.256 -1.955 1.00 0.00 H new ATOM 0 HB2 TRP A 355 -6.509 3.235 -0.526 1.00 0.00 H new ATOM 0 HB3 TRP A 355 -5.689 4.241 0.652 1.00 0.00 H new ATOM 0 HD1 TRP A 355 -7.213 5.828 2.205 1.00 0.00 H new ATOM 0 HE1 TRP A 355 -9.747 5.891 2.721 1.00 0.00 H new ATOM 0 HE3 TRP A 355 -8.831 2.860 -1.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 355 -12.090 4.803 1.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 355 -11.243 2.412 -1.837 1.00 0.00 H new ATOM 0 HH2 TRP A 355 -12.851 3.376 -0.242 1.00 0.00 H new ATOM 216 N PRO A 356 -6.977 7.448 -0.750 1.00 0.00 N ATOM 217 CA PRO A 356 -6.971 8.821 -0.239 1.00 0.00 C ATOM 218 C PRO A 356 -6.979 8.873 1.285 1.00 0.00 C ATOM 219 O PRO A 356 -7.698 8.118 1.938 1.00 0.00 O ATOM 220 CB PRO A 356 -8.265 9.415 -0.801 1.00 0.00 C ATOM 221 CG PRO A 356 -9.157 8.242 -1.016 1.00 0.00 C ATOM 222 CD PRO A 356 -8.255 7.099 -1.392 1.00 0.00 C ATOM 0 HA PRO A 356 -6.073 9.362 -0.537 1.00 0.00 H new ATOM 0 HB2 PRO A 356 -8.708 10.128 -0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 356 -8.083 9.950 -1.733 1.00 0.00 H new ATOM 0 HG2 PRO A 356 -9.723 8.012 -0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 356 -9.882 8.443 -1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 356 -8.640 6.146 -1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 356 -8.150 7.009 -2.473 1.00 0.00 H new ATOM 230 N GLY A 357 -6.174 9.770 1.847 1.00 0.00 N ATOM 231 CA GLY A 357 -6.104 9.904 3.290 1.00 0.00 C ATOM 232 C GLY A 357 -5.155 8.904 3.920 1.00 0.00 C ATOM 233 O GLY A 357 -4.454 9.221 4.881 1.00 0.00 O ATOM 0 H GLY A 357 -5.569 10.406 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -5.782 10.914 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -7.100 9.771 3.713 1.00 0.00 H new ATOM 237 N CYS A 358 -5.132 7.690 3.378 1.00 0.00 N ATOM 238 CA CYS A 358 -4.263 6.639 3.894 1.00 0.00 C ATOM 239 C CYS A 358 -2.794 7.001 3.697 1.00 0.00 C ATOM 240 O CYS A 358 -2.447 7.761 2.794 1.00 0.00 O ATOM 241 CB CYS A 358 -4.569 5.310 3.199 1.00 0.00 C ATOM 242 SG CYS A 358 -3.646 3.890 3.871 1.00 0.00 S ATOM 0 H CYS A 358 -5.705 7.410 2.582 1.00 0.00 H new ATOM 0 HA CYS A 358 -4.453 6.537 4.962 1.00 0.00 H new ATOM 0 HB2 CYS A 358 -5.637 5.107 3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 358 -4.343 5.407 2.137 1.00 0.00 H new ATOM 247 N GLY A 359 -1.935 6.452 4.551 1.00 0.00 N ATOM 248 CA GLY A 359 -0.514 6.729 4.455 1.00 0.00 C ATOM 249 C GLY A 359 0.336 5.513 4.766 1.00 0.00 C ATOM 250 O GLY A 359 1.321 5.607 5.498 1.00 0.00 O ATOM 0 H GLY A 359 -2.198 5.820 5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 359 -0.283 7.083 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.257 7.534 5.143 1.00 0.00 H new ATOM 254 N TRP A 360 -0.046 4.369 4.210 1.00 0.00 N ATOM 255 CA TRP A 360 0.688 3.128 4.434 1.00 0.00 C ATOM 256 C TRP A 360 1.642 2.844 3.280 1.00 0.00 C ATOM 257 O TRP A 360 1.253 2.897 2.113 1.00 0.00 O ATOM 258 CB TRP A 360 -0.285 1.961 4.607 1.00 0.00 C ATOM 259 CG TRP A 360 -0.713 1.750 6.028 1.00 0.00 C ATOM 260 CD1 TRP A 360 -1.888 2.153 6.598 1.00 0.00 C ATOM 261 CD2 TRP A 360 0.029 1.089 7.058 1.00 0.00 C ATOM 262 NE1 TRP A 360 -1.920 1.781 7.920 1.00 0.00 N ATOM 263 CE2 TRP A 360 -0.757 1.126 8.227 1.00 0.00 C ATOM 264 CE3 TRP A 360 1.279 0.466 7.107 1.00 0.00 C ATOM 265 CZ2 TRP A 360 -0.330 0.566 9.428 1.00 0.00 C ATOM 266 CZ3 TRP A 360 1.701 -0.089 8.300 1.00 0.00 C ATOM 267 CH2 TRP A 360 0.898 -0.037 9.447 1.00 0.00 C ATOM 0 H TRP A 360 -0.859 4.274 3.601 1.00 0.00 H new ATOM 0 HA TRP A 360 1.275 3.241 5.346 1.00 0.00 H new ATOM 0 HB2 TRP A 360 -1.167 2.139 3.992 1.00 0.00 H new ATOM 0 HB3 TRP A 360 0.183 1.049 4.237 1.00 0.00 H new ATOM 0 HD1 TRP A 360 -2.675 2.685 6.085 1.00 0.00 H new ATOM 0 HE1 TRP A 360 -2.686 1.963 8.568 1.00 0.00 H new ATOM 0 HE3 TRP A 360 1.904 0.419 6.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 360 -0.947 0.606 10.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 360 2.666 -0.571 8.349 1.00 0.00 H new ATOM 0 HH2 TRP A 360 1.255 -0.482 10.364 1.00 0.00 H new ATOM 278 N ARG A 361 2.894 2.544 3.612 1.00 0.00 N ATOM 279 CA ARG A 361 3.904 2.253 2.602 1.00 0.00 C ATOM 280 C ARG A 361 4.505 0.867 2.818 1.00 0.00 C ATOM 281 O ARG A 361 4.369 0.281 3.892 1.00 0.00 O ATOM 282 CB ARG A 361 5.008 3.311 2.634 1.00 0.00 C ATOM 283 CG ARG A 361 4.519 4.712 2.305 1.00 0.00 C ATOM 284 CD ARG A 361 5.632 5.568 1.723 1.00 0.00 C ATOM 285 NE ARG A 361 5.450 6.985 2.030 1.00 0.00 N ATOM 286 CZ ARG A 361 6.146 7.957 1.451 1.00 0.00 C ATOM 287 NH1 ARG A 361 7.065 7.668 0.540 1.00 0.00 N ATOM 288 NH2 ARG A 361 5.924 9.222 1.783 1.00 0.00 N ATOM 0 H ARG A 361 3.233 2.496 4.573 1.00 0.00 H new ATOM 0 HA ARG A 361 3.421 2.272 1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 361 5.464 3.318 3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 361 5.788 3.032 1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 361 3.694 4.653 1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 361 4.130 5.184 3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 361 6.591 5.232 2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 361 5.666 5.433 0.642 1.00 0.00 H new ATOM 0 HE ARG A 361 4.751 7.242 2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 361 7.239 6.697 0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 361 7.598 8.417 0.097 1.00 0.00 H new ATOM 0 HH21 ARG A 361 5.218 9.449 2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 361 6.459 9.968 1.338 1.00 0.00 H new ATOM 302 N PHE A 362 5.171 0.350 1.791 1.00 0.00 N ATOM 303 CA PHE A 362 5.793 -0.967 1.868 1.00 0.00 C ATOM 304 C PHE A 362 7.045 -1.029 0.999 1.00 0.00 C ATOM 305 O PHE A 362 7.132 -0.360 -0.031 1.00 0.00 O ATOM 306 CB PHE A 362 4.802 -2.048 1.433 1.00 0.00 C ATOM 307 CG PHE A 362 3.464 -1.942 2.108 1.00 0.00 C ATOM 308 CD1 PHE A 362 2.512 -1.046 1.651 1.00 0.00 C ATOM 309 CD2 PHE A 362 3.159 -2.740 3.199 1.00 0.00 C ATOM 310 CE1 PHE A 362 1.281 -0.946 2.271 1.00 0.00 C ATOM 311 CE2 PHE A 362 1.929 -2.645 3.823 1.00 0.00 C ATOM 312 CZ PHE A 362 0.989 -1.747 3.358 1.00 0.00 C ATOM 0 H PHE A 362 5.294 0.823 0.896 1.00 0.00 H new ATOM 0 HA PHE A 362 6.082 -1.145 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 362 4.661 -1.987 0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 362 5.230 -3.028 1.644 1.00 0.00 H new ATOM 0 HD1 PHE A 362 2.734 -0.418 0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 362 3.891 -3.444 3.566 1.00 0.00 H new ATOM 0 HE1 PHE A 362 0.548 -0.242 1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 362 1.704 -3.272 4.673 1.00 0.00 H new ATOM 0 HZ PHE A 362 0.027 -1.671 3.843 1.00 0.00 H new ATOM 322 N SER A 363 8.013 -1.836 1.422 1.00 0.00 N ATOM 323 CA SER A 363 9.263 -1.983 0.685 1.00 0.00 C ATOM 324 C SER A 363 9.045 -2.774 -0.601 1.00 0.00 C ATOM 325 O SER A 363 9.676 -2.503 -1.623 1.00 0.00 O ATOM 326 CB SER A 363 10.313 -2.678 1.554 1.00 0.00 C ATOM 327 OG SER A 363 10.072 -4.072 1.626 1.00 0.00 O ATOM 0 H SER A 363 7.956 -2.398 2.271 1.00 0.00 H new ATOM 0 HA SER A 363 9.621 -0.988 0.422 1.00 0.00 H new ATOM 0 HB2 SER A 363 11.307 -2.498 1.143 1.00 0.00 H new ATOM 0 HB3 SER A 363 10.300 -2.251 2.557 1.00 0.00 H new ATOM 0 HG SER A 363 10.757 -4.494 2.185 1.00 0.00 H new ATOM 333 N ARG A 364 8.149 -3.753 -0.541 1.00 0.00 N ATOM 334 CA ARG A 364 7.848 -4.586 -1.700 1.00 0.00 C ATOM 335 C ARG A 364 6.424 -4.341 -2.191 1.00 0.00 C ATOM 336 O ARG A 364 5.610 -3.740 -1.490 1.00 0.00 O ATOM 337 CB ARG A 364 8.033 -6.064 -1.354 1.00 0.00 C ATOM 338 CG ARG A 364 9.393 -6.385 -0.756 1.00 0.00 C ATOM 339 CD ARG A 364 9.376 -7.712 -0.013 1.00 0.00 C ATOM 340 NE ARG A 364 10.648 -7.984 0.651 1.00 0.00 N ATOM 341 CZ ARG A 364 11.018 -9.191 1.064 1.00 0.00 C ATOM 342 NH1 ARG A 364 10.217 -10.232 0.882 1.00 0.00 N ATOM 343 NH2 ARG A 364 12.192 -9.358 1.660 1.00 0.00 N ATOM 0 H ARG A 364 7.618 -3.989 0.298 1.00 0.00 H new ATOM 0 HA ARG A 364 8.540 -4.318 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 364 7.256 -6.363 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 364 7.893 -6.660 -2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 364 10.141 -6.420 -1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 364 9.689 -5.588 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 364 8.576 -7.703 0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 364 9.153 -8.517 -0.714 1.00 0.00 H new ATOM 0 HE ARG A 364 11.287 -7.204 0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 364 9.314 -10.107 0.424 1.00 0.00 H new ATOM 0 HH12 ARG A 364 10.504 -11.158 1.200 1.00 0.00 H new ATOM 0 HH21 ARG A 364 12.811 -8.559 1.801 1.00 0.00 H new ATOM 0 HH22 ARG A 364 12.476 -10.285 1.977 1.00 0.00 H new ATOM 357 N SER A 365 6.132 -4.809 -3.400 1.00 0.00 N ATOM 358 CA SER A 365 4.808 -4.638 -3.986 1.00 0.00 C ATOM 359 C SER A 365 3.784 -5.526 -3.286 1.00 0.00 C ATOM 360 O SER A 365 2.740 -5.053 -2.838 1.00 0.00 O ATOM 361 CB SER A 365 4.844 -4.961 -5.481 1.00 0.00 C ATOM 362 OG SER A 365 3.535 -5.007 -6.024 1.00 0.00 O ATOM 0 H SER A 365 6.794 -5.309 -3.993 1.00 0.00 H new ATOM 0 HA SER A 365 4.511 -3.598 -3.853 1.00 0.00 H new ATOM 0 HB2 SER A 365 5.432 -4.208 -6.005 1.00 0.00 H new ATOM 0 HB3 SER A 365 5.340 -5.919 -5.638 1.00 0.00 H new ATOM 0 HG SER A 365 3.585 -5.214 -6.981 1.00 0.00 H new ATOM 368 N ASP A 366 4.092 -6.815 -3.197 1.00 0.00 N ATOM 369 CA ASP A 366 3.200 -7.771 -2.551 1.00 0.00 C ATOM 370 C ASP A 366 2.788 -7.281 -1.167 1.00 0.00 C ATOM 371 O ASP A 366 1.687 -7.566 -0.699 1.00 0.00 O ATOM 372 CB ASP A 366 3.877 -9.139 -2.441 1.00 0.00 C ATOM 373 CG ASP A 366 5.300 -9.040 -1.929 1.00 0.00 C ATOM 374 OD1 ASP A 366 5.480 -8.700 -0.741 1.00 0.00 O ATOM 375 OD2 ASP A 366 6.234 -9.303 -2.715 1.00 0.00 O ATOM 0 H ASP A 366 4.952 -7.222 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 366 2.304 -7.866 -3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 366 3.297 -9.776 -1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 366 3.878 -9.620 -3.419 1.00 0.00 H new ATOM 380 N GLU A 367 3.682 -6.542 -0.516 1.00 0.00 N ATOM 381 CA GLU A 367 3.412 -6.014 0.816 1.00 0.00 C ATOM 382 C GLU A 367 2.374 -4.897 0.758 1.00 0.00 C ATOM 383 O GLU A 367 1.624 -4.681 1.711 1.00 0.00 O ATOM 384 CB GLU A 367 4.701 -5.495 1.454 1.00 0.00 C ATOM 385 CG GLU A 367 5.683 -6.593 1.824 1.00 0.00 C ATOM 386 CD GLU A 367 5.453 -7.135 3.222 1.00 0.00 C ATOM 387 OE1 GLU A 367 5.455 -6.331 4.177 1.00 0.00 O ATOM 388 OE2 GLU A 367 5.272 -8.363 3.360 1.00 0.00 O ATOM 0 H GLU A 367 4.599 -6.296 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 367 3.014 -6.825 1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 367 5.185 -4.804 0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 367 4.450 -4.927 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 367 5.600 -7.407 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 367 6.699 -6.206 1.751 1.00 0.00 H new ATOM 395 N LEU A 368 2.337 -4.190 -0.366 1.00 0.00 N ATOM 396 CA LEU A 368 1.392 -3.094 -0.550 1.00 0.00 C ATOM 397 C LEU A 368 0.059 -3.608 -1.085 1.00 0.00 C ATOM 398 O LEU A 368 -1.004 -3.248 -0.581 1.00 0.00 O ATOM 399 CB LEU A 368 1.971 -2.050 -1.507 1.00 0.00 C ATOM 400 CG LEU A 368 0.963 -1.096 -2.148 1.00 0.00 C ATOM 401 CD1 LEU A 368 0.524 -0.034 -1.152 1.00 0.00 C ATOM 402 CD2 LEU A 368 1.557 -0.450 -3.392 1.00 0.00 C ATOM 0 H LEU A 368 2.950 -4.356 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 368 1.218 -2.630 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 368 2.708 -1.458 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 368 2.504 -2.571 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 368 0.086 -1.671 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 368 -0.193 0.636 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 368 0.058 -0.513 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 368 1.392 0.538 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 368 0.826 0.226 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 368 2.451 0.111 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 368 1.820 -1.224 -4.113 1.00 0.00 H new ATOM 414 N SER A 369 0.125 -4.453 -2.109 1.00 0.00 N ATOM 415 CA SER A 369 -1.076 -5.016 -2.715 1.00 0.00 C ATOM 416 C SER A 369 -1.947 -5.696 -1.663 1.00 0.00 C ATOM 417 O SER A 369 -3.168 -5.537 -1.655 1.00 0.00 O ATOM 418 CB SER A 369 -0.700 -6.019 -3.807 1.00 0.00 C ATOM 419 OG SER A 369 -1.845 -6.440 -4.529 1.00 0.00 O ATOM 0 H SER A 369 0.998 -4.763 -2.536 1.00 0.00 H new ATOM 0 HA SER A 369 -1.645 -4.200 -3.161 1.00 0.00 H new ATOM 0 HB2 SER A 369 0.018 -5.565 -4.490 1.00 0.00 H new ATOM 0 HB3 SER A 369 -0.211 -6.884 -3.358 1.00 0.00 H new ATOM 0 HG SER A 369 -1.578 -7.079 -5.222 1.00 0.00 H new ATOM 425 N ARG A 370 -1.310 -6.454 -0.776 1.00 0.00 N ATOM 426 CA ARG A 370 -2.025 -7.160 0.280 1.00 0.00 C ATOM 427 C ARG A 370 -2.784 -6.181 1.171 1.00 0.00 C ATOM 428 O ARG A 370 -3.876 -6.481 1.653 1.00 0.00 O ATOM 429 CB ARG A 370 -1.050 -7.984 1.123 1.00 0.00 C ATOM 430 CG ARG A 370 -0.260 -7.156 2.123 1.00 0.00 C ATOM 431 CD ARG A 370 0.950 -7.916 2.644 1.00 0.00 C ATOM 432 NE ARG A 370 0.610 -8.777 3.774 1.00 0.00 N ATOM 433 CZ ARG A 370 0.262 -8.316 4.970 1.00 0.00 C ATOM 434 NH1 ARG A 370 0.208 -7.010 5.191 1.00 0.00 N ATOM 435 NH2 ARG A 370 -0.032 -9.163 5.948 1.00 0.00 N ATOM 0 H ARG A 370 -0.300 -6.595 -0.768 1.00 0.00 H new ATOM 0 HA ARG A 370 -2.745 -7.831 -0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 370 -1.606 -8.753 1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 370 -0.354 -8.498 0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 370 0.067 -6.229 1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 370 -0.904 -6.880 2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 370 1.372 -8.521 1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 370 1.720 -7.207 2.947 1.00 0.00 H new ATOM 0 HE ARG A 370 0.642 -9.787 3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 370 0.434 -6.356 4.441 1.00 0.00 H new ATOM 0 HH12 ARG A 370 -0.060 -6.659 6.111 1.00 0.00 H new ATOM 0 HH21 ARG A 370 0.009 -10.168 5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 370 -0.299 -8.809 6.866 1.00 0.00 H new ATOM 449 N HIS A 371 -2.196 -5.008 1.387 1.00 0.00 N ATOM 450 CA HIS A 371 -2.816 -3.984 2.220 1.00 0.00 C ATOM 451 C HIS A 371 -4.029 -3.376 1.522 1.00 0.00 C ATOM 452 O HIS A 371 -5.063 -3.141 2.147 1.00 0.00 O ATOM 453 CB HIS A 371 -1.804 -2.888 2.556 1.00 0.00 C ATOM 454 CG HIS A 371 -2.437 -1.591 2.955 1.00 0.00 C ATOM 455 ND1 HIS A 371 -3.146 -1.428 4.126 1.00 0.00 N ATOM 456 CD2 HIS A 371 -2.462 -0.390 2.331 1.00 0.00 C ATOM 457 CE1 HIS A 371 -3.582 -0.183 4.204 1.00 0.00 C ATOM 458 NE2 HIS A 371 -3.180 0.468 3.128 1.00 0.00 N ATOM 0 H HIS A 371 -1.291 -4.744 0.997 1.00 0.00 H new ATOM 0 HA HIS A 371 -3.150 -4.456 3.144 1.00 0.00 H new ATOM 0 HB2 HIS A 371 -1.162 -3.234 3.366 1.00 0.00 H new ATOM 0 HB3 HIS A 371 -1.163 -2.719 1.691 1.00 0.00 H new ATOM 0 HD1 HIS A 371 -3.309 -2.155 4.823 1.00 0.00 H new ATOM 0 HD2 HIS A 371 -2.003 -0.151 1.383 1.00 0.00 H new ATOM 0 HE1 HIS A 371 -4.168 0.232 5.011 1.00 0.00 H new ATOM 466 N ARG A 372 -3.894 -3.124 0.224 1.00 0.00 N ATOM 467 CA ARG A 372 -4.978 -2.542 -0.558 1.00 0.00 C ATOM 468 C ARG A 372 -6.300 -3.241 -0.259 1.00 0.00 C ATOM 469 O ARG A 372 -7.371 -2.646 -0.382 1.00 0.00 O ATOM 470 CB ARG A 372 -4.665 -2.637 -2.052 1.00 0.00 C ATOM 471 CG ARG A 372 -3.438 -1.842 -2.469 1.00 0.00 C ATOM 472 CD ARG A 372 -3.761 -0.366 -2.636 1.00 0.00 C ATOM 473 NE ARG A 372 -4.493 -0.101 -3.872 1.00 0.00 N ATOM 474 CZ ARG A 372 -5.274 0.958 -4.052 1.00 0.00 C ATOM 475 NH1 ARG A 372 -5.423 1.848 -3.081 1.00 0.00 N ATOM 476 NH2 ARG A 372 -5.907 1.129 -5.205 1.00 0.00 N ATOM 0 H ARG A 372 -3.045 -3.314 -0.308 1.00 0.00 H new ATOM 0 HA ARG A 372 -5.071 -1.492 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -4.517 -3.684 -2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -5.527 -2.283 -2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -2.654 -1.962 -1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -3.048 -2.238 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -4.351 -0.026 -1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -2.836 0.210 -2.632 1.00 0.00 H new ATOM 0 HE ARG A 372 -4.399 -0.766 -4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -4.937 1.720 -2.193 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -6.023 2.661 -3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -5.794 0.447 -5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -6.507 1.943 -5.342 1.00 0.00 H new ATOM 490 N ARG A 373 -6.218 -4.508 0.135 1.00 0.00 N ATOM 491 CA ARG A 373 -7.408 -5.289 0.450 1.00 0.00 C ATOM 492 C ARG A 373 -8.277 -4.567 1.476 1.00 0.00 C ATOM 493 O ARG A 373 -9.499 -4.510 1.339 1.00 0.00 O ATOM 494 CB ARG A 373 -7.014 -6.669 0.980 1.00 0.00 C ATOM 495 CG ARG A 373 -6.226 -7.502 -0.017 1.00 0.00 C ATOM 496 CD ARG A 373 -5.856 -8.860 0.560 1.00 0.00 C ATOM 497 NE ARG A 373 -6.903 -9.853 0.336 1.00 0.00 N ATOM 498 CZ ARG A 373 -7.938 -10.027 1.150 1.00 0.00 C ATOM 499 NH1 ARG A 373 -8.065 -9.277 2.236 1.00 0.00 N ATOM 500 NH2 ARG A 373 -8.849 -10.952 0.878 1.00 0.00 N ATOM 0 H ARG A 373 -5.340 -5.015 0.244 1.00 0.00 H new ATOM 0 HA ARG A 373 -7.984 -5.411 -0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 373 -6.421 -6.545 1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 373 -7.916 -7.212 1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 373 -6.815 -7.639 -0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 373 -5.320 -6.968 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 373 -4.926 -9.205 0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 373 -5.673 -8.762 1.630 1.00 0.00 H new ATOM 0 HE ARG A 373 -6.836 -10.446 -0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 373 -7.367 -8.564 2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 373 -8.861 -9.413 2.859 1.00 0.00 H new ATOM 0 HH21 ARG A 373 -8.755 -11.530 0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 373 -9.643 -11.085 1.504 1.00 0.00 H new ATOM 514 N SER A 374 -7.637 -4.018 2.503 1.00 0.00 N ATOM 515 CA SER A 374 -8.351 -3.303 3.555 1.00 0.00 C ATOM 516 C SER A 374 -9.309 -2.276 2.960 1.00 0.00 C ATOM 517 O SER A 374 -10.379 -2.015 3.511 1.00 0.00 O ATOM 518 CB SER A 374 -7.360 -2.611 4.493 1.00 0.00 C ATOM 519 OG SER A 374 -8.029 -2.011 5.589 1.00 0.00 O ATOM 0 H SER A 374 -6.626 -4.054 2.629 1.00 0.00 H new ATOM 0 HA SER A 374 -8.932 -4.029 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 374 -6.634 -3.337 4.859 1.00 0.00 H new ATOM 0 HB3 SER A 374 -6.803 -1.852 3.943 1.00 0.00 H new ATOM 0 HG SER A 374 -7.374 -1.577 6.174 1.00 0.00 H new ATOM 525 N HIS A 375 -8.916 -1.695 1.830 1.00 0.00 N ATOM 526 CA HIS A 375 -9.740 -0.696 1.158 1.00 0.00 C ATOM 527 C HIS A 375 -10.581 -1.336 0.058 1.00 0.00 C ATOM 528 O HIS A 375 -10.413 -2.513 -0.259 1.00 0.00 O ATOM 529 CB HIS A 375 -8.860 0.407 0.568 1.00 0.00 C ATOM 530 CG HIS A 375 -7.881 0.980 1.545 1.00 0.00 C ATOM 531 ND1 HIS A 375 -8.248 1.830 2.568 1.00 0.00 N ATOM 532 CD2 HIS A 375 -6.541 0.821 1.654 1.00 0.00 C ATOM 533 CE1 HIS A 375 -7.176 2.169 3.262 1.00 0.00 C ATOM 534 NE2 HIS A 375 -6.127 1.570 2.728 1.00 0.00 N ATOM 0 H HIS A 375 -8.033 -1.899 1.361 1.00 0.00 H new ATOM 0 HA HIS A 375 -10.412 -0.259 1.896 1.00 0.00 H new ATOM 0 HB2 HIS A 375 -8.315 0.007 -0.287 1.00 0.00 H new ATOM 0 HB3 HIS A 375 -9.498 1.208 0.194 1.00 0.00 H new ATOM 0 HD1 HIS A 375 -9.198 2.147 2.759 1.00 0.00 H new ATOM 0 HD2 HIS A 375 -5.914 0.217 1.015 1.00 0.00 H new ATOM 0 HE1 HIS A 375 -7.160 2.825 4.120 1.00 0.00 H new ATOM 542 N SER A 376 -11.487 -0.552 -0.519 1.00 0.00 N ATOM 543 CA SER A 376 -12.357 -1.044 -1.580 1.00 0.00 C ATOM 544 C SER A 376 -11.605 -1.130 -2.904 1.00 0.00 C ATOM 545 O SER A 376 -11.403 -2.215 -3.448 1.00 0.00 O ATOM 546 CB SER A 376 -13.577 -0.132 -1.732 1.00 0.00 C ATOM 547 OG SER A 376 -14.602 -0.498 -0.825 1.00 0.00 O ATOM 0 H SER A 376 -11.637 0.426 -0.269 1.00 0.00 H new ATOM 0 HA SER A 376 -12.691 -2.045 -1.307 1.00 0.00 H new ATOM 0 HB2 SER A 376 -13.285 0.904 -1.557 1.00 0.00 H new ATOM 0 HB3 SER A 376 -13.953 -0.189 -2.753 1.00 0.00 H new ATOM 0 HG SER A 376 -15.370 0.100 -0.940 1.00 0.00 H new ATOM 553 N GLY A 377 -11.191 0.025 -3.419 1.00 0.00 N ATOM 554 CA GLY A 377 -10.466 0.059 -4.675 1.00 0.00 C ATOM 555 C GLY A 377 -10.959 1.155 -5.600 1.00 0.00 C ATOM 556 O GLY A 377 -10.328 2.205 -5.722 1.00 0.00 O ATOM 0 H GLY A 377 -11.345 0.937 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -9.405 0.207 -4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -10.565 -0.905 -5.174 1.00 0.00 H new ATOM 560 N VAL A 378 -12.089 0.910 -6.255 1.00 0.00 N ATOM 561 CA VAL A 378 -12.666 1.884 -7.173 1.00 0.00 C ATOM 562 C VAL A 378 -13.992 2.420 -6.645 1.00 0.00 C ATOM 563 O VAL A 378 -14.881 1.654 -6.272 1.00 0.00 O ATOM 564 CB VAL A 378 -12.892 1.274 -8.569 1.00 0.00 C ATOM 565 CG1 VAL A 378 -11.579 0.778 -9.154 1.00 0.00 C ATOM 566 CG2 VAL A 378 -13.913 0.148 -8.499 1.00 0.00 C ATOM 0 H VAL A 378 -12.623 0.045 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 378 -11.952 2.704 -7.253 1.00 0.00 H new ATOM 0 HB VAL A 378 -13.285 2.050 -9.226 1.00 0.00 H new ATOM 0 HG11 VAL A 378 -11.759 0.350 -10.140 1.00 0.00 H new ATOM 0 HG12 VAL A 378 -10.882 1.611 -9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 378 -11.154 0.016 -8.500 1.00 0.00 H new ATOM 0 HG21 VAL A 378 -14.061 -0.272 -9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 378 -13.551 -0.630 -7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 378 -14.860 0.538 -8.126 1.00 0.00 H new ATOM 576 N LYS A 379 -14.119 3.742 -6.614 1.00 0.00 N ATOM 577 CA LYS A 379 -15.337 4.384 -6.133 1.00 0.00 C ATOM 578 C LYS A 379 -16.566 3.810 -6.831 1.00 0.00 C ATOM 579 O LYS A 379 -16.563 3.554 -8.035 1.00 0.00 O ATOM 580 CB LYS A 379 -15.267 5.895 -6.361 1.00 0.00 C ATOM 581 CG LYS A 379 -16.294 6.679 -5.562 1.00 0.00 C ATOM 582 CD LYS A 379 -16.151 8.175 -5.788 1.00 0.00 C ATOM 583 CE LYS A 379 -16.681 8.586 -7.153 1.00 0.00 C ATOM 584 NZ LYS A 379 -16.118 9.892 -7.596 1.00 0.00 N ATOM 0 H LYS A 379 -13.392 4.391 -6.917 1.00 0.00 H new ATOM 0 HA LYS A 379 -15.423 4.188 -5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 379 -14.269 6.248 -6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 379 -15.410 6.101 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 379 -17.297 6.361 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 379 -16.178 6.457 -4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 379 -16.690 8.715 -5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 379 -15.102 8.458 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 379 -16.434 7.817 -7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 379 -17.768 8.653 -7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 379 -16.503 10.137 -8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 379 -16.375 10.631 -6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 379 -15.082 9.821 -7.657 1.00 0.00 H new ATOM 598 N PRO A 380 -17.644 3.605 -6.060 1.00 0.00 N ATOM 599 CA PRO A 380 -18.901 3.062 -6.584 1.00 0.00 C ATOM 600 C PRO A 380 -19.621 4.047 -7.498 1.00 0.00 C ATOM 601 O PRO A 380 -19.506 5.261 -7.332 1.00 0.00 O ATOM 602 CB PRO A 380 -19.728 2.800 -5.323 1.00 0.00 C ATOM 603 CG PRO A 380 -19.185 3.749 -4.310 1.00 0.00 C ATOM 604 CD PRO A 380 -17.719 3.888 -4.617 1.00 0.00 C ATOM 0 HA PRO A 380 -18.738 2.174 -7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 380 -20.789 2.976 -5.502 1.00 0.00 H new ATOM 0 HB3 PRO A 380 -19.628 1.767 -4.991 1.00 0.00 H new ATOM 0 HG2 PRO A 380 -19.689 4.714 -4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 380 -19.338 3.371 -3.299 1.00 0.00 H new ATOM 0 HD2 PRO A 380 -17.353 4.888 -4.384 1.00 0.00 H new ATOM 0 HD3 PRO A 380 -17.119 3.186 -4.038 1.00 0.00 H new ATOM 612 N SER A 381 -20.365 3.516 -8.464 1.00 0.00 N ATOM 613 CA SER A 381 -21.102 4.349 -9.407 1.00 0.00 C ATOM 614 C SER A 381 -22.097 3.514 -10.206 1.00 0.00 C ATOM 615 O SER A 381 -21.717 2.579 -10.909 1.00 0.00 O ATOM 616 CB SER A 381 -20.135 5.059 -10.356 1.00 0.00 C ATOM 617 OG SER A 381 -20.823 5.967 -11.199 1.00 0.00 O ATOM 0 H SER A 381 -20.473 2.513 -8.614 1.00 0.00 H new ATOM 0 HA SER A 381 -21.656 5.096 -8.839 1.00 0.00 H new ATOM 0 HB2 SER A 381 -19.381 5.594 -9.779 1.00 0.00 H new ATOM 0 HB3 SER A 381 -19.609 4.322 -10.963 1.00 0.00 H new ATOM 0 HG SER A 381 -20.183 6.409 -11.795 1.00 0.00 H new ATOM 623 N GLY A 382 -23.376 3.860 -10.093 1.00 0.00 N ATOM 624 CA GLY A 382 -24.408 3.133 -10.810 1.00 0.00 C ATOM 625 C GLY A 382 -25.800 3.647 -10.501 1.00 0.00 C ATOM 626 O GLY A 382 -26.133 3.952 -9.356 1.00 0.00 O ATOM 0 H GLY A 382 -23.716 4.631 -9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -24.225 3.211 -11.882 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -24.349 2.076 -10.552 1.00 0.00 H new ATOM 630 N PRO A 383 -26.640 3.751 -11.542 1.00 0.00 N ATOM 631 CA PRO A 383 -28.018 4.233 -11.402 1.00 0.00 C ATOM 632 C PRO A 383 -28.906 3.242 -10.657 1.00 0.00 C ATOM 633 O PRO A 383 -29.993 3.592 -10.197 1.00 0.00 O ATOM 634 CB PRO A 383 -28.488 4.389 -12.850 1.00 0.00 C ATOM 635 CG PRO A 383 -27.646 3.436 -13.626 1.00 0.00 C ATOM 636 CD PRO A 383 -26.311 3.405 -12.935 1.00 0.00 C ATOM 0 HA PRO A 383 -28.071 5.154 -10.821 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -29.547 4.153 -12.950 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -28.355 5.412 -13.202 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -28.098 2.444 -13.647 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -27.542 3.761 -14.661 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -25.845 2.422 -13.006 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -25.615 4.120 -13.373 1.00 0.00 H new ATOM 644 N SER A 384 -28.436 2.004 -10.542 1.00 0.00 N ATOM 645 CA SER A 384 -29.190 0.961 -9.855 1.00 0.00 C ATOM 646 C SER A 384 -29.445 1.343 -8.400 1.00 0.00 C ATOM 647 O SER A 384 -30.591 1.501 -7.980 1.00 0.00 O ATOM 648 CB SER A 384 -28.436 -0.369 -9.920 1.00 0.00 C ATOM 649 OG SER A 384 -29.279 -1.450 -9.561 1.00 0.00 O ATOM 0 H SER A 384 -27.537 1.699 -10.915 1.00 0.00 H new ATOM 0 HA SER A 384 -30.151 0.851 -10.357 1.00 0.00 H new ATOM 0 HB2 SER A 384 -28.050 -0.523 -10.928 1.00 0.00 H new ATOM 0 HB3 SER A 384 -27.576 -0.336 -9.251 1.00 0.00 H new ATOM 0 HG SER A 384 -28.775 -2.289 -9.612 1.00 0.00 H new ATOM 655 N SER A 385 -28.367 1.491 -7.636 1.00 0.00 N ATOM 656 CA SER A 385 -28.473 1.851 -6.227 1.00 0.00 C ATOM 657 C SER A 385 -28.592 3.363 -6.060 1.00 0.00 C ATOM 658 O SER A 385 -27.876 4.128 -6.705 1.00 0.00 O ATOM 659 CB SER A 385 -27.257 1.335 -5.455 1.00 0.00 C ATOM 660 OG SER A 385 -26.056 1.882 -5.971 1.00 0.00 O ATOM 0 H SER A 385 -27.411 1.367 -7.969 1.00 0.00 H new ATOM 0 HA SER A 385 -29.374 1.387 -5.825 1.00 0.00 H new ATOM 0 HB2 SER A 385 -27.355 1.594 -4.401 1.00 0.00 H new ATOM 0 HB3 SER A 385 -27.220 0.247 -5.514 1.00 0.00 H new ATOM 0 HG SER A 385 -25.294 1.538 -5.460 1.00 0.00 H new ATOM 666 N GLY A 386 -29.503 3.786 -5.189 1.00 0.00 N ATOM 667 CA GLY A 386 -29.700 5.204 -4.952 1.00 0.00 C ATOM 668 C GLY A 386 -29.241 5.631 -3.572 1.00 0.00 C ATOM 669 O GLY A 386 -28.784 6.758 -3.383 1.00 0.00 O ATOM 0 H GLY A 386 -30.108 3.172 -4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 386 -29.156 5.774 -5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 386 -30.756 5.446 -5.071 1.00 0.00 H new TER 673 GLY A 386 HETATM 674 ZN ZN A 200 -4.155 2.079 2.506 1.00 0.00 ZN