USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 597 hydrogens (8 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 363 PTR HN2 : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 363 PTR H : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 390 HIS HD1 : A 390 HIS ND1 : A1388 ZNZN :(H bumps) USER MOD Set 1.1: A 379 ASN : amide:sc=-0.00345 X(o=-0.57,f=-0.56) USER MOD Set 1.2: A 395 SER OG : rot -160:sc= -0.563 USER MOD Set 2.1: A 368 SER OG : rot 130:sc= -0.554 USER MOD Set 2.2: A 374 LYS NZ :NH3+ 150:sc= -1.76 (180deg=-3.3!) USER MOD Single : A 347 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 350 SER OG : rot -72:sc= 0.752 USER MOD Single : A 352 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-3.8!) USER MOD Single : A 354 LYS NZ :NH3+ -98:sc= -0.0927 (180deg=-1.3!) USER MOD Single : A 356 THR OG1 : rot -170:sc= -2.13 USER MOD Single : A 357 GLN : amide:sc= -0.415 X(o=-0.41,f=-0.18) USER MOD Single : A 359 GLN : amide:sc= -0.0015 K(o=-0.0015,f=-2.2!) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 70:sc= 0.0194 USER MOD Single : A 366 MET CE :methyl -157:sc= -0.087 (180deg=-0.663) USER MOD Single : A 369 THR OG1 : rot -170:sc= -1.05 USER MOD Single : A 371 GLN : amide:sc= -6.02! C(o=-6!,f=-6!) USER MOD Single : A 381 LYS NZ :NH3+ 157:sc= 0.769 (180deg=-0.272) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 MET CE :methyl 143:sc= -7.12! (180deg=-10.5!) USER MOD Single : A 394 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 398 THR OG1 : rot 99:sc=0.000393 USER MOD Single : A 401 GLN : amide:sc= -4.38! C(o=-4.4!,f=-5.7!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 413 CYS SG : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 41:sc= 0.349 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 5.303 21.559 1.418 1.00 32.10 N ATOM 2 CA GLY A 345 6.390 20.856 0.757 1.00 12.35 C ATOM 3 C GLY A 345 5.861 19.950 -0.356 1.00 35.34 C ATOM 4 O GLY A 345 4.667 19.958 -0.653 1.00 30.33 O ATOM 0 HA2 GLY A 345 7.094 21.577 0.340 1.00 12.35 H new ATOM 0 HA3 GLY A 345 6.939 20.260 1.486 1.00 12.35 H new ATOM 8 N PRO A 346 6.799 19.170 -0.956 1.00 74.44 N ATOM 9 CA PRO A 346 6.439 18.259 -2.030 1.00 51.21 C ATOM 10 C PRO A 346 5.714 17.027 -1.485 1.00 12.33 C ATOM 11 O PRO A 346 5.528 16.897 -0.276 1.00 35.31 O ATOM 12 CB PRO A 346 7.753 17.920 -2.715 1.00 53.33 C ATOM 13 CG PRO A 346 8.846 18.279 -1.722 1.00 13.42 C ATOM 14 CD PRO A 346 8.221 19.134 -0.631 1.00 24.34 C ATOM 0 HA PRO A 346 5.738 18.700 -2.738 1.00 51.21 H new ATOM 0 HB2 PRO A 346 7.795 16.863 -2.977 1.00 53.33 H new ATOM 0 HB3 PRO A 346 7.867 18.483 -3.641 1.00 53.33 H new ATOM 0 HG2 PRO A 346 9.286 17.377 -1.296 1.00 13.42 H new ATOM 0 HG3 PRO A 346 9.650 18.822 -2.219 1.00 13.42 H new ATOM 0 HD2 PRO A 346 8.391 18.703 0.356 1.00 24.34 H new ATOM 0 HD3 PRO A 346 8.650 20.136 -0.619 1.00 24.34 H new ATOM 22 N HIS A 347 5.324 16.155 -2.403 1.00 23.25 N ATOM 23 CA HIS A 347 4.624 14.938 -2.029 1.00 31.22 C ATOM 24 C HIS A 347 4.888 13.852 -3.074 1.00 2.02 C ATOM 25 O HIS A 347 5.160 14.155 -4.234 1.00 44.34 O ATOM 26 CB HIS A 347 3.133 15.211 -1.822 1.00 11.04 C ATOM 27 CG HIS A 347 2.527 16.127 -2.858 1.00 14.12 C ATOM 28 ND1 HIS A 347 1.996 15.664 -4.049 1.00 42.13 N ATOM 29 CD2 HIS A 347 2.372 17.482 -2.868 1.00 14.21 C ATOM 30 CE1 HIS A 347 1.546 16.702 -4.738 1.00 40.51 C ATOM 31 NE2 HIS A 347 1.780 17.828 -4.005 1.00 1.34 N ATOM 0 H HIS A 347 5.479 16.267 -3.405 1.00 23.25 H new ATOM 0 HA HIS A 347 5.004 14.575 -1.074 1.00 31.22 H new ATOM 0 HB2 HIS A 347 2.596 14.263 -1.832 1.00 11.04 H new ATOM 0 HB3 HIS A 347 2.988 15.650 -0.835 1.00 11.04 H new ATOM 0 HD2 HIS A 347 2.679 18.159 -2.084 1.00 14.21 H new ATOM 0 HE1 HIS A 347 1.076 16.663 -5.710 1.00 40.51 H new ATOM 0 HE2 HIS A 347 1.540 18.779 -4.284 1.00 1.34 H new ATOM 39 N MET A 348 4.799 12.609 -2.624 1.00 73.14 N ATOM 40 CA MET A 348 5.025 11.476 -3.506 1.00 53.20 C ATOM 41 C MET A 348 3.701 10.825 -3.912 1.00 22.52 C ATOM 42 O MET A 348 3.310 10.878 -5.077 1.00 1.43 O ATOM 43 CB MET A 348 5.905 10.445 -2.797 1.00 44.33 C ATOM 44 CG MET A 348 6.599 9.529 -3.808 1.00 11.41 C ATOM 45 SD MET A 348 7.854 8.559 -2.991 1.00 25.30 S ATOM 46 CE MET A 348 6.846 7.245 -2.324 1.00 50.42 C ATOM 0 H MET A 348 4.574 12.361 -1.661 1.00 73.14 H new ATOM 0 HA MET A 348 5.523 11.834 -4.407 1.00 53.20 H new ATOM 0 HB2 MET A 348 6.653 10.956 -2.190 1.00 44.33 H new ATOM 0 HB3 MET A 348 5.297 9.848 -2.118 1.00 44.33 H new ATOM 0 HG2 MET A 348 5.867 8.871 -4.277 1.00 11.41 H new ATOM 0 HG3 MET A 348 7.048 10.125 -4.603 1.00 11.41 H new ATOM 0 HE1 MET A 348 7.477 6.544 -1.778 1.00 50.42 H new ATOM 0 HE2 MET A 348 6.101 7.665 -1.648 1.00 50.42 H new ATOM 0 HE3 MET A 348 6.343 6.723 -3.138 1.00 50.42 H new ATOM 56 N GLY A 349 3.048 10.224 -2.928 1.00 21.31 N ATOM 57 CA GLY A 349 1.777 9.562 -3.168 1.00 13.41 C ATOM 58 C GLY A 349 0.945 9.490 -1.885 1.00 44.44 C ATOM 59 O GLY A 349 1.165 8.617 -1.047 1.00 51.14 O ATOM 0 H GLY A 349 3.375 10.182 -1.963 1.00 21.31 H new ATOM 0 HA2 GLY A 349 1.222 10.101 -3.936 1.00 13.41 H new ATOM 0 HA3 GLY A 349 1.953 8.556 -3.548 1.00 13.41 H new ATOM 63 N SER A 350 0.008 10.420 -1.773 1.00 2.13 N ATOM 64 CA SER A 350 -0.857 10.473 -0.606 1.00 40.15 C ATOM 65 C SER A 350 -2.268 10.894 -1.021 1.00 34.22 C ATOM 66 O SER A 350 -2.445 11.581 -2.026 1.00 35.24 O ATOM 67 CB SER A 350 -0.304 11.435 0.446 1.00 2.44 C ATOM 68 OG SER A 350 0.909 10.958 1.021 1.00 25.44 O ATOM 0 H SER A 350 -0.171 11.142 -2.470 1.00 2.13 H new ATOM 0 HA SER A 350 -0.896 9.478 -0.163 1.00 40.15 H new ATOM 0 HB2 SER A 350 -0.130 12.410 -0.010 1.00 2.44 H new ATOM 0 HB3 SER A 350 -1.046 11.578 1.232 1.00 2.44 H new ATOM 0 HG SER A 350 0.715 10.200 1.611 1.00 25.44 H new ATOM 74 N ASP A 351 -3.237 10.464 -0.225 1.00 41.04 N ATOM 75 CA ASP A 351 -4.627 10.788 -0.497 1.00 33.52 C ATOM 76 C ASP A 351 -4.950 12.163 0.090 1.00 51.33 C ATOM 77 O ASP A 351 -4.104 12.781 0.734 1.00 12.32 O ATOM 78 CB ASP A 351 -5.566 9.766 0.148 1.00 14.41 C ATOM 79 CG ASP A 351 -5.042 8.329 0.171 1.00 42.33 C ATOM 80 OD1 ASP A 351 -4.001 8.020 -0.428 1.00 71.24 O ATOM 81 OD2 ASP A 351 -5.759 7.498 0.848 1.00 23.21 O ATOM 0 H ASP A 351 -3.087 9.894 0.608 1.00 41.04 H new ATOM 0 HA ASP A 351 -4.771 10.779 -1.577 1.00 33.52 H new ATOM 0 HB2 ASP A 351 -5.770 10.079 1.172 1.00 14.41 H new ATOM 0 HB3 ASP A 351 -6.516 9.781 -0.385 1.00 14.41 H new ATOM 87 N HIS A 352 -6.176 12.602 -0.155 1.00 0.43 N ATOM 88 CA HIS A 352 -6.621 13.894 0.341 1.00 31.32 C ATOM 89 C HIS A 352 -8.017 13.755 0.953 1.00 4.20 C ATOM 90 O HIS A 352 -8.879 13.078 0.395 1.00 43.21 O ATOM 91 CB HIS A 352 -6.560 14.950 -0.764 1.00 13.23 C ATOM 92 CG HIS A 352 -5.172 15.483 -1.028 1.00 72.24 C ATOM 93 ND1 HIS A 352 -4.334 15.926 -0.020 1.00 31.51 N ATOM 94 CD2 HIS A 352 -4.485 15.638 -2.196 1.00 63.22 C ATOM 95 CE1 HIS A 352 -3.197 16.328 -0.568 1.00 23.44 C ATOM 96 NE2 HIS A 352 -3.292 16.149 -1.916 1.00 72.05 N ATOM 0 H HIS A 352 -6.875 12.087 -0.690 1.00 0.43 H new ATOM 0 HA HIS A 352 -5.950 14.237 1.128 1.00 31.32 H new ATOM 0 HB2 HIS A 352 -6.954 14.521 -1.685 1.00 13.23 H new ATOM 0 HB3 HIS A 352 -7.212 15.781 -0.495 1.00 13.23 H new ATOM 0 HD2 HIS A 352 -4.850 15.388 -3.181 1.00 63.22 H new ATOM 0 HE1 HIS A 352 -2.344 16.728 -0.039 1.00 23.44 H new ATOM 0 HE2 HIS A 352 -2.566 16.371 -2.597 1.00 72.05 H new ATOM 104 N ILE A 353 -8.196 14.408 2.092 1.00 24.42 N ATOM 105 CA ILE A 353 -9.472 14.366 2.786 1.00 64.20 C ATOM 106 C ILE A 353 -10.058 15.777 2.851 1.00 11.44 C ATOM 107 O ILE A 353 -9.324 16.762 2.787 1.00 42.15 O ATOM 108 CB ILE A 353 -9.316 13.701 4.155 1.00 64.40 C ATOM 109 CG1 ILE A 353 -9.282 12.177 4.023 1.00 25.44 C ATOM 110 CG2 ILE A 353 -10.407 14.168 5.119 1.00 14.54 C ATOM 111 CD1 ILE A 353 -10.696 11.593 4.038 1.00 1.32 C ATOM 0 H ILE A 353 -7.479 14.969 2.552 1.00 24.42 H new ATOM 0 HA ILE A 353 -10.184 13.749 2.238 1.00 64.20 H new ATOM 0 HB ILE A 353 -8.360 14.009 4.578 1.00 64.40 H new ATOM 0 HG12 ILE A 353 -8.780 11.900 3.096 1.00 25.44 H new ATOM 0 HG13 ILE A 353 -8.700 11.751 4.840 1.00 25.44 H new ATOM 0 HG21 ILE A 353 -10.273 13.680 6.084 1.00 14.54 H new ATOM 0 HG22 ILE A 353 -10.342 15.249 5.246 1.00 14.54 H new ATOM 0 HG23 ILE A 353 -11.385 13.909 4.714 1.00 14.54 H new ATOM 0 HD11 ILE A 353 -10.643 10.508 3.943 1.00 1.32 H new ATOM 0 HD12 ILE A 353 -11.186 11.851 4.977 1.00 1.32 H new ATOM 0 HD13 ILE A 353 -11.268 12.003 3.205 1.00 1.32 H new ATOM 123 N LYS A 354 -11.376 15.831 2.979 1.00 23.01 N ATOM 124 CA LYS A 354 -12.069 17.106 3.054 1.00 72.30 C ATOM 125 C LYS A 354 -12.802 17.205 4.394 1.00 64.14 C ATOM 126 O LYS A 354 -13.417 16.239 4.842 1.00 64.41 O ATOM 127 CB LYS A 354 -12.981 17.292 1.839 1.00 22.14 C ATOM 128 CG LYS A 354 -13.244 18.776 1.574 1.00 73.51 C ATOM 129 CD LYS A 354 -14.388 19.294 2.448 1.00 40.22 C ATOM 130 CE LYS A 354 -15.698 19.350 1.660 1.00 51.33 C ATOM 131 NZ LYS A 354 -16.584 18.229 2.046 1.00 3.21 N ATOM 0 H LYS A 354 -11.982 15.012 3.033 1.00 23.01 H new ATOM 0 HA LYS A 354 -11.356 17.930 3.018 1.00 72.30 H new ATOM 0 HB2 LYS A 354 -12.521 16.838 0.961 1.00 22.14 H new ATOM 0 HB3 LYS A 354 -13.926 16.776 2.007 1.00 22.14 H new ATOM 0 HG2 LYS A 354 -12.340 19.351 1.774 1.00 73.51 H new ATOM 0 HG3 LYS A 354 -13.489 18.924 0.522 1.00 73.51 H new ATOM 0 HD2 LYS A 354 -14.509 18.646 3.316 1.00 40.22 H new ATOM 0 HD3 LYS A 354 -14.143 20.287 2.823 1.00 40.22 H new ATOM 0 HE2 LYS A 354 -16.201 20.299 1.846 1.00 51.33 H new ATOM 0 HE3 LYS A 354 -15.489 19.304 0.591 1.00 51.33 H new ATOM 0 HZ1 LYS A 354 -16.491 17.459 1.353 1.00 3.21 H new ATOM 0 HZ2 LYS A 354 -16.314 17.881 2.988 1.00 3.21 H new ATOM 0 HZ3 LYS A 354 -17.570 18.558 2.068 1.00 3.21 H new ATOM 144 N VAL A 355 -12.712 18.382 4.995 1.00 25.11 N ATOM 145 CA VAL A 355 -13.358 18.620 6.275 1.00 40.05 C ATOM 146 C VAL A 355 -14.708 19.301 6.040 1.00 3.30 C ATOM 147 O VAL A 355 -14.826 20.172 5.179 1.00 14.04 O ATOM 148 CB VAL A 355 -12.432 19.427 7.187 1.00 63.42 C ATOM 149 CG1 VAL A 355 -13.209 20.038 8.354 1.00 4.14 C ATOM 150 CG2 VAL A 355 -11.272 18.565 7.691 1.00 73.11 C ATOM 0 H VAL A 355 -12.202 19.181 4.620 1.00 25.11 H new ATOM 0 HA VAL A 355 -13.553 17.677 6.786 1.00 40.05 H new ATOM 0 HB VAL A 355 -12.012 20.244 6.600 1.00 63.42 H new ATOM 0 HG11 VAL A 355 -12.528 20.606 8.987 1.00 4.14 H new ATOM 0 HG12 VAL A 355 -13.984 20.701 7.968 1.00 4.14 H new ATOM 0 HG13 VAL A 355 -13.670 19.243 8.940 1.00 4.14 H new ATOM 0 HG21 VAL A 355 -10.629 19.162 8.337 1.00 73.11 H new ATOM 0 HG22 VAL A 355 -11.665 17.718 8.253 1.00 73.11 H new ATOM 0 HG23 VAL A 355 -10.695 18.200 6.842 1.00 73.11 H new ATOM 160 N THR A 356 -15.691 18.879 6.821 1.00 72.11 N ATOM 161 CA THR A 356 -17.028 19.437 6.709 1.00 10.40 C ATOM 162 C THR A 356 -17.330 20.343 7.905 1.00 25.51 C ATOM 163 O THR A 356 -16.757 20.169 8.980 1.00 64.14 O ATOM 164 CB THR A 356 -18.014 18.277 6.561 1.00 13.12 C ATOM 165 OG1 THR A 356 -17.657 17.382 7.611 1.00 14.21 O ATOM 166 CG2 THR A 356 -17.778 17.467 5.285 1.00 53.12 C ATOM 0 H THR A 356 -15.589 18.157 7.534 1.00 72.11 H new ATOM 0 HA THR A 356 -17.118 20.073 5.829 1.00 10.40 H new ATOM 0 HB THR A 356 -19.033 18.665 6.562 1.00 13.12 H new ATOM 0 HG1 THR A 356 -18.136 16.535 7.496 1.00 14.21 H new ATOM 0 HG21 THR A 356 -18.504 16.656 5.229 1.00 53.12 H new ATOM 0 HG22 THR A 356 -17.890 18.116 4.416 1.00 53.12 H new ATOM 0 HG23 THR A 356 -16.771 17.051 5.299 1.00 53.12 H new ATOM 174 N GLN A 357 -18.228 21.289 7.678 1.00 14.03 N ATOM 175 CA GLN A 357 -18.613 22.222 8.724 1.00 71.12 C ATOM 176 C GLN A 357 -18.969 21.466 10.005 1.00 22.44 C ATOM 177 O GLN A 357 -18.558 21.858 11.096 1.00 12.34 O ATOM 178 CB GLN A 357 -19.775 23.107 8.269 1.00 74.41 C ATOM 179 CG GLN A 357 -19.309 24.137 7.238 1.00 13.14 C ATOM 180 CD GLN A 357 -20.245 25.347 7.211 1.00 11.34 C ATOM 181 OE1 GLN A 357 -20.816 25.700 6.193 1.00 51.44 O ATOM 182 NE2 GLN A 357 -20.370 25.961 8.385 1.00 42.13 N ATOM 0 H GLN A 357 -18.701 21.430 6.785 1.00 14.03 H new ATOM 0 HA GLN A 357 -17.764 22.873 8.933 1.00 71.12 H new ATOM 0 HB2 GLN A 357 -20.562 22.487 7.839 1.00 74.41 H new ATOM 0 HB3 GLN A 357 -20.206 23.618 9.130 1.00 74.41 H new ATOM 0 HG2 GLN A 357 -18.296 24.462 7.475 1.00 13.14 H new ATOM 0 HG3 GLN A 357 -19.274 23.678 6.250 1.00 13.14 H new ATOM 0 HE21 GLN A 357 -19.863 25.613 9.199 1.00 42.13 H new ATOM 0 HE22 GLN A 357 -20.973 26.779 8.471 1.00 42.13 H new ATOM 191 N GLU A 358 -19.728 20.394 9.831 1.00 55.31 N ATOM 192 CA GLU A 358 -20.144 19.579 10.960 1.00 50.41 C ATOM 193 C GLU A 358 -18.960 19.323 11.894 1.00 43.10 C ATOM 194 O GLU A 358 -19.117 19.313 13.114 1.00 75.12 O ATOM 195 CB GLU A 358 -20.764 18.263 10.487 1.00 14.23 C ATOM 196 CG GLU A 358 -19.768 17.456 9.653 1.00 21.43 C ATOM 197 CD GLU A 358 -20.480 16.358 8.860 1.00 24.54 C ATOM 198 OE1 GLU A 358 -19.995 15.217 8.808 1.00 42.41 O ATOM 199 OE2 GLU A 358 -21.575 16.723 8.286 1.00 35.31 O ATOM 0 H GLU A 358 -20.066 20.071 8.925 1.00 55.31 H new ATOM 0 HA GLU A 358 -20.908 20.124 11.515 1.00 50.41 H new ATOM 0 HB2 GLU A 358 -21.082 17.676 11.349 1.00 14.23 H new ATOM 0 HB3 GLU A 358 -21.656 18.469 9.896 1.00 14.23 H new ATOM 0 HG2 GLU A 358 -19.240 18.120 8.968 1.00 21.43 H new ATOM 0 HG3 GLU A 358 -19.018 17.010 10.307 1.00 21.43 H new ATOM 207 N GLN A 359 -17.800 19.122 11.286 1.00 40.34 N ATOM 208 CA GLN A 359 -16.589 18.867 12.048 1.00 75.33 C ATOM 209 C GLN A 359 -16.092 20.157 12.702 1.00 2.02 C ATOM 210 O GLN A 359 -15.977 20.233 13.925 1.00 54.15 O ATOM 211 CB GLN A 359 -15.506 18.247 11.163 1.00 5.15 C ATOM 212 CG GLN A 359 -16.029 17.001 10.447 1.00 63.41 C ATOM 213 CD GLN A 359 -14.874 16.150 9.913 1.00 53.11 C ATOM 214 OE1 GLN A 359 -13.896 16.649 9.381 1.00 21.34 O ATOM 215 NE2 GLN A 359 -15.042 14.842 10.084 1.00 72.24 N ATOM 0 H GLN A 359 -17.673 19.131 10.274 1.00 40.34 H new ATOM 0 HA GLN A 359 -16.822 18.151 12.836 1.00 75.33 H new ATOM 0 HB2 GLN A 359 -15.169 18.978 10.428 1.00 5.15 H new ATOM 0 HB3 GLN A 359 -14.641 17.985 11.771 1.00 5.15 H new ATOM 0 HG2 GLN A 359 -16.634 16.409 11.134 1.00 63.41 H new ATOM 0 HG3 GLN A 359 -16.679 17.296 9.623 1.00 63.41 H new ATOM 0 HE21 GLN A 359 -15.885 14.491 10.538 1.00 72.24 H new ATOM 0 HE22 GLN A 359 -14.327 14.190 9.762 1.00 72.24 H new ATOM 224 N TYR A 360 -15.809 21.140 11.859 1.00 33.54 N ATOM 225 CA TYR A 360 -15.327 22.423 12.341 1.00 64.23 C ATOM 226 C TYR A 360 -16.122 22.884 13.564 1.00 40.23 C ATOM 227 O TYR A 360 -15.546 23.162 14.614 1.00 11.04 O ATOM 228 CB TYR A 360 -15.552 23.414 11.197 1.00 22.12 C ATOM 229 CG TYR A 360 -14.846 24.758 11.390 1.00 35.34 C ATOM 230 CD1 TYR A 360 -13.547 24.795 11.855 1.00 73.41 C ATOM 231 CD2 TYR A 360 -15.509 25.933 11.100 1.00 32.13 C ATOM 232 CE1 TYR A 360 -12.883 26.059 12.037 1.00 54.42 C ATOM 233 CE2 TYR A 360 -14.845 27.198 11.282 1.00 32.32 C ATOM 234 CZ TYR A 360 -13.565 27.199 11.741 1.00 31.54 C ATOM 235 OH TYR A 360 -12.938 28.393 11.913 1.00 11.12 O ATOM 0 H TYR A 360 -15.904 21.073 10.846 1.00 33.54 H new ATOM 0 HA TYR A 360 -14.280 22.354 12.635 1.00 64.23 H new ATOM 0 HB2 TYR A 360 -15.206 22.964 10.267 1.00 22.12 H new ATOM 0 HB3 TYR A 360 -16.622 23.590 11.087 1.00 22.12 H new ATOM 0 HD1 TYR A 360 -13.029 23.875 12.082 1.00 73.41 H new ATOM 0 HD2 TYR A 360 -16.526 25.904 10.737 1.00 32.13 H new ATOM 0 HE1 TYR A 360 -11.867 26.102 12.400 1.00 54.42 H new ATOM 0 HE2 TYR A 360 -15.352 28.125 11.059 1.00 32.32 H new ATOM 0 HH TYR A 360 -13.545 29.120 11.661 1.00 11.12 H new ATOM 245 N GLU A 361 -17.433 22.951 13.386 1.00 12.50 N ATOM 246 CA GLU A 361 -18.313 23.374 14.462 1.00 54.40 C ATOM 247 C GLU A 361 -18.095 22.503 15.700 1.00 23.04 C ATOM 248 O GLU A 361 -18.137 22.996 16.826 1.00 1.43 O ATOM 249 CB GLU A 361 -19.777 23.339 14.019 1.00 53.44 C ATOM 250 CG GLU A 361 -20.094 24.505 13.079 1.00 64.32 C ATOM 251 CD GLU A 361 -21.595 24.800 13.057 1.00 22.50 C ATOM 252 OE1 GLU A 361 -22.156 25.236 14.073 1.00 23.32 O ATOM 253 OE2 GLU A 361 -22.181 24.561 11.933 1.00 70.20 O ATOM 0 H GLU A 361 -17.907 22.720 12.513 1.00 12.50 H new ATOM 0 HA GLU A 361 -18.070 24.405 14.719 1.00 54.40 H new ATOM 0 HB2 GLU A 361 -19.986 22.395 13.516 1.00 53.44 H new ATOM 0 HB3 GLU A 361 -20.426 23.385 14.893 1.00 53.44 H new ATOM 0 HG2 GLU A 361 -19.550 25.393 13.400 1.00 64.32 H new ATOM 0 HG3 GLU A 361 -19.752 24.268 12.072 1.00 64.32 H new ATOM 261 N LEU A 362 -17.866 21.222 15.450 1.00 3.14 N ATOM 262 CA LEU A 362 -17.640 20.277 16.531 1.00 13.41 C ATOM 263 C LEU A 362 -16.365 20.664 17.283 1.00 61.22 C ATOM 264 O LEU A 362 -16.274 20.565 18.507 1.00 43.21 O ATOM 265 CB LEU A 362 -17.628 18.844 15.996 1.00 14.10 C ATOM 266 CG LEU A 362 -18.022 17.752 16.993 1.00 1.54 C ATOM 267 CD1 LEU A 362 -16.871 17.447 17.954 1.00 70.31 C ATOM 268 CD2 LEU A 362 -19.305 18.126 17.737 1.00 14.54 C ATOM 0 H LEU A 362 -17.832 20.816 14.515 1.00 3.14 H new ATOM 0 HA LEU A 362 -18.459 20.317 17.250 1.00 13.41 H new ATOM 0 HB2 LEU A 362 -18.304 18.790 15.143 1.00 14.10 H new ATOM 0 HB3 LEU A 362 -16.627 18.625 15.624 1.00 14.10 H new ATOM 0 HG LEU A 362 -18.228 16.838 16.436 1.00 1.54 H new ATOM 0 HD11 LEU A 362 -17.177 16.668 18.652 1.00 70.31 H new ATOM 0 HD12 LEU A 362 -16.004 17.107 17.387 1.00 70.31 H new ATOM 0 HD13 LEU A 362 -16.611 18.349 18.508 1.00 70.31 H new ATOM 0 HD21 LEU A 362 -19.563 17.333 18.439 1.00 14.54 H new ATOM 0 HD22 LEU A 362 -19.151 19.057 18.282 1.00 14.54 H new ATOM 0 HD23 LEU A 362 -20.117 18.254 17.021 1.00 14.54 H new HETATM 280 N PTR A 363 -15.375 21.109 16.517 1.00 45.54 N HETATM 281 CA PTR A 363 -14.094 21.516 17.083 1.00 13.32 C HETATM 282 C PTR A 363 -14.137 22.973 17.531 1.00 2.42 C HETATM 283 O PTR A 363 -13.256 23.400 18.276 1.00 43.53 O HETATM 284 CB PTR A 363 -12.974 21.318 16.060 1.00 74.24 C HETATM 285 CG PTR A 363 -12.580 19.871 15.866 1.00 62.02 C HETATM 286 CD1 PTR A 363 -11.255 19.471 15.986 1.00 20.50 C HETATM 287 CD2 PTR A 363 -13.533 18.906 15.563 1.00 4.34 C HETATM 288 CE1 PTR A 363 -10.891 18.150 15.809 1.00 31.43 C HETATM 289 CE2 PTR A 363 -13.176 17.583 15.386 1.00 53.40 C HETATM 290 CZ PTR A 363 -11.855 17.210 15.510 1.00 43.41 C HETATM 291 OH PTR A 363 -11.480 15.832 15.325 1.00 3.10 O HETATM 292 P PTR A 363 -10.423 15.124 16.342 1.00 21.53 P HETATM 293 O1P PTR A 363 -10.814 13.655 16.389 1.00 13.44 O HETATM 294 O2P PTR A 363 -10.600 15.826 17.679 1.00 43.11 O HETATM 295 O3P PTR A 363 -9.048 15.348 15.735 1.00 4.20 O HETATM 0 HE2 PTR A 363 -13.936 16.838 15.149 1.00 53.40 H new HETATM 0 HE1 PTR A 363 -9.847 17.852 15.905 1.00 31.43 H new HETATM 0 HD2 PTR A 363 -14.579 19.197 15.463 1.00 4.34 H new HETATM 0 HD1 PTR A 363 -10.491 20.211 16.224 1.00 20.50 H new HETATM 0 HB3 PTR A 363 -13.291 21.731 15.102 1.00 74.24 H new HETATM 0 HB2 PTR A 363 -12.099 21.885 16.378 1.00 74.24 H new HETATM 0 HA PTR A 363 -13.895 20.892 17.954 1.00 13.32 H new ATOM 304 N CYS A 364 -15.148 23.697 17.073 1.00 31.44 N ATOM 305 CA CYS A 364 -15.290 25.097 17.434 1.00 52.12 C ATOM 306 C CYS A 364 -15.589 25.180 18.932 1.00 73.40 C ATOM 307 O CYS A 364 -15.299 26.189 19.572 1.00 51.22 O ATOM 308 CB CYS A 364 -16.368 25.790 16.598 1.00 72.34 C ATOM 309 SG CYS A 364 -15.638 26.443 15.052 1.00 3.33 S ATOM 0 H CYS A 364 -15.877 23.340 16.455 1.00 31.44 H new ATOM 0 HA CYS A 364 -14.361 25.626 17.221 1.00 52.12 H new ATOM 0 HB2 CYS A 364 -17.167 25.086 16.364 1.00 72.34 H new ATOM 0 HB3 CYS A 364 -16.817 26.602 17.170 1.00 72.34 H new ATOM 0 HG CYS A 364 -15.312 25.454 14.274 1.00 3.33 H new ATOM 315 N GLU A 365 -16.166 24.104 19.448 1.00 42.01 N ATOM 316 CA GLU A 365 -16.507 24.042 20.859 1.00 54.11 C ATOM 317 C GLU A 365 -15.241 23.907 21.706 1.00 4.43 C ATOM 318 O GLU A 365 -15.251 24.212 22.898 1.00 35.41 O ATOM 319 CB GLU A 365 -17.478 22.893 21.138 1.00 15.31 C ATOM 320 CG GLU A 365 -18.883 23.227 20.630 1.00 64.51 C ATOM 321 CD GLU A 365 -19.880 22.134 21.019 1.00 32.40 C ATOM 322 OE1 GLU A 365 -19.489 21.123 21.621 1.00 63.43 O ATOM 323 OE2 GLU A 365 -21.102 22.363 20.675 1.00 12.43 O ATOM 0 H GLU A 365 -16.406 23.269 18.914 1.00 42.01 H new ATOM 0 HA GLU A 365 -17.006 24.971 21.133 1.00 54.11 H new ATOM 0 HB2 GLU A 365 -17.119 21.984 20.655 1.00 15.31 H new ATOM 0 HB3 GLU A 365 -17.513 22.693 22.209 1.00 15.31 H new ATOM 0 HG2 GLU A 365 -19.206 24.183 21.043 1.00 64.51 H new ATOM 0 HG3 GLU A 365 -18.865 23.339 19.546 1.00 64.51 H new ATOM 331 N MET A 366 -14.179 23.451 21.058 1.00 51.11 N ATOM 332 CA MET A 366 -12.907 23.272 21.737 1.00 0.40 C ATOM 333 C MET A 366 -11.795 24.051 21.032 1.00 43.03 C ATOM 334 O MET A 366 -10.625 23.933 21.392 1.00 3.25 O ATOM 335 CB MET A 366 -12.549 21.785 21.768 1.00 50.24 C ATOM 336 CG MET A 366 -12.991 21.088 20.479 1.00 10.32 C ATOM 337 SD MET A 366 -12.229 19.478 20.364 1.00 52.22 S ATOM 338 CE MET A 366 -13.578 18.547 19.657 1.00 40.13 C ATOM 0 H MET A 366 -14.173 23.200 20.069 1.00 51.11 H new ATOM 0 HA MET A 366 -13.003 23.652 22.754 1.00 0.40 H new ATOM 0 HB2 MET A 366 -11.473 21.669 21.898 1.00 50.24 H new ATOM 0 HB3 MET A 366 -13.027 21.310 22.625 1.00 50.24 H new ATOM 0 HG2 MET A 366 -14.076 20.988 20.464 1.00 10.32 H new ATOM 0 HG3 MET A 366 -12.715 21.693 19.615 1.00 10.32 H new ATOM 0 HE1 MET A 366 -13.449 17.489 19.886 1.00 40.13 H new ATOM 0 HE2 MET A 366 -14.521 18.897 20.077 1.00 40.13 H new ATOM 0 HE3 MET A 366 -13.589 18.686 18.576 1.00 40.13 H new ATOM 348 N GLY A 367 -12.199 24.829 20.039 1.00 50.34 N ATOM 349 CA GLY A 367 -11.251 25.627 19.279 1.00 11.15 C ATOM 350 C GLY A 367 -10.018 24.803 18.904 1.00 5.35 C ATOM 351 O GLY A 367 -8.889 25.212 19.173 1.00 62.12 O ATOM 0 H GLY A 367 -13.170 24.924 19.743 1.00 50.34 H new ATOM 0 HA2 GLY A 367 -11.730 26.004 18.375 1.00 11.15 H new ATOM 0 HA3 GLY A 367 -10.948 26.495 19.865 1.00 11.15 H new ATOM 355 N SER A 368 -10.275 23.658 18.290 1.00 43.11 N ATOM 356 CA SER A 368 -9.199 22.773 17.875 1.00 12.34 C ATOM 357 C SER A 368 -9.241 22.573 16.359 1.00 11.50 C ATOM 358 O SER A 368 -10.042 23.201 15.668 1.00 13.35 O ATOM 359 CB SER A 368 -9.289 21.424 18.591 1.00 12.12 C ATOM 360 OG SER A 368 -8.109 20.645 18.413 1.00 52.34 O ATOM 0 H SER A 368 -11.213 23.322 18.070 1.00 43.11 H new ATOM 0 HA SER A 368 -8.251 23.236 18.148 1.00 12.34 H new ATOM 0 HB2 SER A 368 -9.457 21.589 19.655 1.00 12.12 H new ATOM 0 HB3 SER A 368 -10.149 20.870 18.214 1.00 12.12 H new ATOM 0 HG SER A 368 -7.794 20.324 19.284 1.00 52.34 H new ATOM 366 N THR A 369 -8.368 21.697 15.886 1.00 70.44 N ATOM 367 CA THR A 369 -8.295 21.406 14.464 1.00 52.13 C ATOM 368 C THR A 369 -8.378 19.898 14.223 1.00 63.43 C ATOM 369 O THR A 369 -7.702 19.120 14.895 1.00 42.03 O ATOM 370 CB THR A 369 -7.014 22.040 13.917 1.00 74.32 C ATOM 371 OG1 THR A 369 -6.036 21.760 14.914 1.00 3.51 O ATOM 372 CG2 THR A 369 -7.086 23.568 13.882 1.00 24.31 C ATOM 0 H THR A 369 -7.705 21.179 16.462 1.00 70.44 H new ATOM 0 HA THR A 369 -9.142 21.835 13.928 1.00 52.13 H new ATOM 0 HB THR A 369 -6.822 21.663 12.912 1.00 74.32 H new ATOM 0 HG1 THR A 369 -5.219 22.265 14.721 1.00 3.51 H new ATOM 0 HG21 THR A 369 -6.152 23.967 13.486 1.00 24.31 H new ATOM 0 HG22 THR A 369 -7.913 23.879 13.244 1.00 24.31 H new ATOM 0 HG23 THR A 369 -7.244 23.948 14.891 1.00 24.31 H new ATOM 380 N PHE A 370 -9.212 19.529 13.262 1.00 61.13 N ATOM 381 CA PHE A 370 -9.392 18.127 12.924 1.00 44.35 C ATOM 382 C PHE A 370 -8.097 17.525 12.373 1.00 1.55 C ATOM 383 O PHE A 370 -7.521 16.624 12.980 1.00 65.20 O ATOM 384 CB PHE A 370 -10.470 18.063 11.840 1.00 12.24 C ATOM 385 CG PHE A 370 -10.660 16.672 11.232 1.00 3.04 C ATOM 386 CD1 PHE A 370 -11.224 15.679 11.970 1.00 21.41 C ATOM 387 CD2 PHE A 370 -10.264 16.429 9.954 1.00 22.01 C ATOM 388 CE1 PHE A 370 -11.400 14.387 11.406 1.00 42.43 C ATOM 389 CE2 PHE A 370 -10.440 15.138 9.390 1.00 63.12 C ATOM 390 CZ PHE A 370 -11.004 14.144 10.127 1.00 0.44 C ATOM 0 H PHE A 370 -9.771 20.177 12.706 1.00 61.13 H new ATOM 0 HA PHE A 370 -9.674 17.564 13.813 1.00 44.35 H new ATOM 0 HB2 PHE A 370 -11.417 18.395 12.264 1.00 12.24 H new ATOM 0 HB3 PHE A 370 -10.214 18.764 11.045 1.00 12.24 H new ATOM 0 HD1 PHE A 370 -11.538 15.872 12.985 1.00 21.41 H new ATOM 0 HD2 PHE A 370 -9.816 17.218 9.368 1.00 22.01 H new ATOM 0 HE1 PHE A 370 -11.848 13.598 11.992 1.00 42.43 H new ATOM 0 HE2 PHE A 370 -10.126 14.945 8.375 1.00 63.12 H new ATOM 0 HZ PHE A 370 -11.138 13.162 9.697 1.00 0.44 H new ATOM 400 N GLN A 371 -7.678 18.049 11.231 1.00 65.32 N ATOM 401 CA GLN A 371 -6.462 17.574 10.592 1.00 5.41 C ATOM 402 C GLN A 371 -5.350 17.401 11.629 1.00 11.32 C ATOM 403 O GLN A 371 -4.446 16.588 11.445 1.00 4.31 O ATOM 404 CB GLN A 371 -6.025 18.522 9.473 1.00 24.31 C ATOM 405 CG GLN A 371 -5.843 19.946 10.001 1.00 42.45 C ATOM 406 CD GLN A 371 -7.142 20.746 9.879 1.00 23.12 C ATOM 407 OE1 GLN A 371 -7.455 21.318 8.848 1.00 3.22 O ATOM 408 NE2 GLN A 371 -7.878 20.753 10.987 1.00 41.02 N ATOM 0 H GLN A 371 -8.158 18.797 10.732 1.00 65.32 H new ATOM 0 HA GLN A 371 -6.667 16.603 10.142 1.00 5.41 H new ATOM 0 HB2 GLN A 371 -5.090 18.170 9.037 1.00 24.31 H new ATOM 0 HB3 GLN A 371 -6.769 18.518 8.677 1.00 24.31 H new ATOM 0 HG2 GLN A 371 -5.528 19.914 11.044 1.00 42.45 H new ATOM 0 HG3 GLN A 371 -5.050 20.446 9.444 1.00 42.45 H new ATOM 0 HE21 GLN A 371 -7.557 20.253 11.816 1.00 41.02 H new ATOM 0 HE22 GLN A 371 -8.764 21.259 11.008 1.00 41.02 H new ATOM 417 N LEU A 372 -5.454 18.179 12.697 1.00 52.02 N ATOM 418 CA LEU A 372 -4.469 18.122 13.763 1.00 30.13 C ATOM 419 C LEU A 372 -4.751 16.905 14.647 1.00 2.44 C ATOM 420 O LEU A 372 -5.896 16.552 14.927 1.00 61.01 O ATOM 421 CB LEU A 372 -4.433 19.445 14.531 1.00 72.01 C ATOM 422 CG LEU A 372 -3.166 19.714 15.345 1.00 43.13 C ATOM 423 CD1 LEU A 372 -3.186 18.939 16.663 1.00 30.25 C ATOM 424 CD2 LEU A 372 -1.912 19.413 14.522 1.00 65.31 C ATOM 0 H LEU A 372 -6.206 18.852 12.846 1.00 52.02 H new ATOM 0 HA LEU A 372 -3.468 17.992 13.351 1.00 30.13 H new ATOM 0 HB2 LEU A 372 -4.563 20.259 13.818 1.00 72.01 H new ATOM 0 HB3 LEU A 372 -5.288 19.473 15.207 1.00 72.01 H new ATOM 0 HG LEU A 372 -3.140 20.774 15.596 1.00 43.13 H new ATOM 0 HD11 LEU A 372 -2.274 19.148 17.222 1.00 30.25 H new ATOM 0 HD12 LEU A 372 -4.051 19.245 17.252 1.00 30.25 H new ATOM 0 HD13 LEU A 372 -3.248 17.871 16.456 1.00 30.25 H new ATOM 0 HD21 LEU A 372 -1.025 19.612 15.124 1.00 65.31 H new ATOM 0 HD22 LEU A 372 -1.918 18.366 14.220 1.00 65.31 H new ATOM 0 HD23 LEU A 372 -1.898 20.046 13.635 1.00 65.31 H new ATOM 436 N CYS A 373 -3.670 16.267 15.085 1.00 31.24 N ATOM 437 CA CYS A 373 -3.771 15.088 15.937 1.00 3.24 C ATOM 438 C CYS A 373 -4.139 15.479 17.366 1.00 64.40 C ATOM 439 O CYS A 373 -3.796 16.579 17.796 1.00 30.34 O ATOM 440 CB CYS A 373 -2.451 14.315 15.932 1.00 2.14 C ATOM 441 SG CYS A 373 -2.567 12.642 16.644 1.00 72.44 S ATOM 0 H CYS A 373 -2.714 16.547 14.864 1.00 31.24 H new ATOM 0 HA CYS A 373 -4.560 14.450 15.539 1.00 3.24 H new ATOM 0 HB2 CYS A 373 -2.091 14.238 14.906 1.00 2.14 H new ATOM 0 HB3 CYS A 373 -1.707 14.884 16.489 1.00 2.14 H new ATOM 446 N LYS A 374 -4.821 14.580 18.061 1.00 43.12 N ATOM 447 CA LYS A 374 -5.226 14.844 19.431 1.00 23.22 C ATOM 448 C LYS A 374 -4.433 13.938 20.376 1.00 52.01 C ATOM 449 O LYS A 374 -4.875 13.658 21.489 1.00 2.43 O ATOM 450 CB LYS A 374 -6.743 14.708 19.577 1.00 24.41 C ATOM 451 CG LYS A 374 -7.472 15.523 18.507 1.00 2.13 C ATOM 452 CD LYS A 374 -6.980 16.972 18.493 1.00 75.03 C ATOM 453 CE LYS A 374 -7.799 17.819 17.516 1.00 61.42 C ATOM 454 NZ LYS A 374 -9.109 18.171 18.107 1.00 31.12 N ATOM 0 H LYS A 374 -5.103 13.668 17.701 1.00 43.12 H new ATOM 0 HA LYS A 374 -4.994 15.873 19.706 1.00 23.22 H new ATOM 0 HB2 LYS A 374 -7.027 13.659 19.496 1.00 24.41 H new ATOM 0 HB3 LYS A 374 -7.048 15.046 20.567 1.00 24.41 H new ATOM 0 HG2 LYS A 374 -7.312 15.071 17.528 1.00 2.13 H new ATOM 0 HG3 LYS A 374 -8.545 15.501 18.696 1.00 2.13 H new ATOM 0 HD2 LYS A 374 -7.052 17.394 19.495 1.00 75.03 H new ATOM 0 HD3 LYS A 374 -5.928 17.000 18.211 1.00 75.03 H new ATOM 0 HE2 LYS A 374 -7.251 18.727 17.265 1.00 61.42 H new ATOM 0 HE3 LYS A 374 -7.949 17.270 16.586 1.00 61.42 H new ATOM 0 HZ1 LYS A 374 -9.425 19.087 17.730 1.00 31.12 H new ATOM 0 HZ2 LYS A 374 -9.807 17.438 17.866 1.00 31.12 H new ATOM 0 HZ3 LYS A 374 -9.017 18.235 19.141 1.00 31.12 H new ATOM 467 N ILE A 375 -3.276 13.505 19.897 1.00 75.42 N ATOM 468 CA ILE A 375 -2.418 12.636 20.685 1.00 53.33 C ATOM 469 C ILE A 375 -1.192 13.424 21.150 1.00 62.04 C ATOM 470 O ILE A 375 -0.861 13.422 22.334 1.00 11.53 O ATOM 471 CB ILE A 375 -2.074 11.368 19.901 1.00 40.45 C ATOM 472 CG1 ILE A 375 -3.324 10.524 19.648 1.00 74.35 C ATOM 473 CG2 ILE A 375 -0.975 10.570 20.605 1.00 73.43 C ATOM 474 CD1 ILE A 375 -2.951 9.131 19.136 1.00 61.02 C ATOM 0 H ILE A 375 -2.913 13.740 18.973 1.00 75.42 H new ATOM 0 HA ILE A 375 -2.938 12.297 21.581 1.00 53.33 H new ATOM 0 HB ILE A 375 -1.683 11.663 18.927 1.00 40.45 H new ATOM 0 HG12 ILE A 375 -3.899 10.435 20.569 1.00 74.35 H new ATOM 0 HG13 ILE A 375 -3.963 11.024 18.920 1.00 74.35 H new ATOM 0 HG21 ILE A 375 -0.749 9.674 20.027 1.00 73.43 H new ATOM 0 HG22 ILE A 375 -0.078 11.183 20.689 1.00 73.43 H new ATOM 0 HG23 ILE A 375 -1.314 10.284 21.601 1.00 73.43 H new ATOM 0 HD11 ILE A 375 -3.858 8.552 18.964 1.00 61.02 H new ATOM 0 HD12 ILE A 375 -2.397 9.223 18.202 1.00 61.02 H new ATOM 0 HD13 ILE A 375 -2.332 8.625 19.877 1.00 61.02 H new ATOM 486 N CYS A 376 -0.551 14.078 20.192 1.00 3.13 N ATOM 487 CA CYS A 376 0.632 14.868 20.489 1.00 41.43 C ATOM 488 C CYS A 376 0.258 16.349 20.389 1.00 62.41 C ATOM 489 O CYS A 376 0.663 17.153 21.228 1.00 75.55 O ATOM 490 CB CYS A 376 1.798 14.511 19.564 1.00 33.44 C ATOM 491 SG CYS A 376 1.799 12.781 18.966 1.00 43.44 S ATOM 0 H CYS A 376 -0.828 14.077 19.210 1.00 3.13 H new ATOM 0 HA CYS A 376 0.975 14.648 21.500 1.00 41.43 H new ATOM 0 HB2 CYS A 376 1.778 15.179 18.703 1.00 33.44 H new ATOM 0 HB3 CYS A 376 2.733 14.699 20.092 1.00 33.44 H new ATOM 496 N ALA A 377 -0.509 16.664 19.356 1.00 35.11 N ATOM 497 CA ALA A 377 -0.942 18.033 19.136 1.00 54.32 C ATOM 498 C ALA A 377 0.248 18.870 18.662 1.00 74.25 C ATOM 499 O ALA A 377 0.485 19.964 19.172 1.00 73.34 O ATOM 500 CB ALA A 377 -1.568 18.584 20.419 1.00 24.11 C ATOM 0 H ALA A 377 -0.842 15.995 18.662 1.00 35.11 H new ATOM 0 HA ALA A 377 -1.705 18.073 18.358 1.00 54.32 H new ATOM 0 HB1 ALA A 377 -1.893 19.611 20.253 1.00 24.11 H new ATOM 0 HB2 ALA A 377 -2.426 17.972 20.697 1.00 24.11 H new ATOM 0 HB3 ALA A 377 -0.831 18.561 21.222 1.00 24.11 H new ATOM 506 N GLU A 378 0.965 18.323 17.691 1.00 53.22 N ATOM 507 CA GLU A 378 2.124 19.005 17.142 1.00 44.41 C ATOM 508 C GLU A 378 2.075 18.989 15.613 1.00 42.32 C ATOM 509 O GLU A 378 1.928 20.035 14.982 1.00 61.01 O ATOM 510 CB GLU A 378 3.423 18.379 17.655 1.00 14.43 C ATOM 511 CG GLU A 378 4.641 19.168 17.171 1.00 52.41 C ATOM 512 CD GLU A 378 5.939 18.427 17.497 1.00 0.54 C ATOM 513 OE1 GLU A 378 6.707 18.091 16.584 1.00 4.20 O ATOM 514 OE2 GLU A 378 6.138 18.204 18.752 1.00 24.31 O ATOM 0 H GLU A 378 0.765 17.415 17.271 1.00 53.22 H new ATOM 0 HA GLU A 378 2.102 20.042 17.476 1.00 44.41 H new ATOM 0 HB2 GLU A 378 3.412 18.352 18.745 1.00 14.43 H new ATOM 0 HB3 GLU A 378 3.494 17.347 17.311 1.00 14.43 H new ATOM 0 HG2 GLU A 378 4.570 19.329 16.095 1.00 52.41 H new ATOM 0 HG3 GLU A 378 4.652 20.152 17.641 1.00 52.41 H new ATOM 522 N ASN A 379 2.201 17.791 15.061 1.00 2.40 N ATOM 523 CA ASN A 379 2.173 17.625 13.618 1.00 51.53 C ATOM 524 C ASN A 379 0.779 17.162 13.189 1.00 2.12 C ATOM 525 O ASN A 379 0.018 16.638 14.001 1.00 24.02 O ATOM 526 CB ASN A 379 3.182 16.569 13.165 1.00 64.30 C ATOM 527 CG ASN A 379 4.542 16.787 13.833 1.00 55.12 C ATOM 528 OD1 ASN A 379 5.306 17.666 13.471 1.00 51.41 O ATOM 529 ND2 ASN A 379 4.799 15.940 14.825 1.00 11.13 N ATOM 0 H ASN A 379 2.323 16.926 15.587 1.00 2.40 H new ATOM 0 HA ASN A 379 2.426 18.583 13.164 1.00 51.53 H new ATOM 0 HB2 ASN A 379 2.808 15.575 13.410 1.00 64.30 H new ATOM 0 HB3 ASN A 379 3.294 16.609 12.082 1.00 64.30 H new ATOM 0 HD21 ASN A 379 5.681 16.003 15.334 1.00 11.13 H new ATOM 0 HD22 ASN A 379 4.115 15.227 15.077 1.00 11.13 H new ATOM 536 N ASP A 380 0.487 17.372 11.914 1.00 12.21 N ATOM 537 CA ASP A 380 -0.802 16.983 11.368 1.00 71.31 C ATOM 538 C ASP A 380 -0.854 15.460 11.232 1.00 71.34 C ATOM 539 O ASP A 380 0.178 14.813 11.059 1.00 73.31 O ATOM 540 CB ASP A 380 -1.018 17.589 9.980 1.00 11.20 C ATOM 541 CG ASP A 380 0.206 17.559 9.063 1.00 25.23 C ATOM 542 OD1 ASP A 380 1.138 16.766 9.268 1.00 0.51 O ATOM 543 OD2 ASP A 380 0.180 18.406 8.091 1.00 64.35 O ATOM 0 H ASP A 380 1.121 17.806 11.243 1.00 12.21 H new ATOM 0 HA ASP A 380 -1.577 17.344 12.044 1.00 71.31 H new ATOM 0 HB2 ASP A 380 -1.833 17.056 9.490 1.00 11.20 H new ATOM 0 HB3 ASP A 380 -1.339 18.624 10.098 1.00 11.20 H new ATOM 549 N LYS A 381 -2.066 14.931 11.314 1.00 12.12 N ATOM 550 CA LYS A 381 -2.266 13.496 11.202 1.00 13.33 C ATOM 551 C LYS A 381 -1.538 12.980 9.960 1.00 71.32 C ATOM 552 O LYS A 381 -0.621 12.166 10.066 1.00 15.43 O ATOM 553 CB LYS A 381 -3.759 13.160 11.225 1.00 43.02 C ATOM 554 CG LYS A 381 -4.417 13.673 12.507 1.00 20.02 C ATOM 555 CD LYS A 381 -5.884 14.033 12.264 1.00 10.13 C ATOM 556 CE LYS A 381 -6.724 13.785 13.518 1.00 34.24 C ATOM 557 NZ LYS A 381 -8.156 14.038 13.241 1.00 31.24 N ATOM 0 H LYS A 381 -2.920 15.471 11.457 1.00 12.12 H new ATOM 0 HA LYS A 381 -1.834 12.982 12.061 1.00 13.33 H new ATOM 0 HB2 LYS A 381 -4.249 13.604 10.358 1.00 43.02 H new ATOM 0 HB3 LYS A 381 -3.894 12.081 11.150 1.00 43.02 H new ATOM 0 HG2 LYS A 381 -4.350 12.912 13.284 1.00 20.02 H new ATOM 0 HG3 LYS A 381 -3.879 14.549 12.871 1.00 20.02 H new ATOM 0 HD2 LYS A 381 -5.962 15.080 11.971 1.00 10.13 H new ATOM 0 HD3 LYS A 381 -6.275 13.441 11.437 1.00 10.13 H new ATOM 0 HE2 LYS A 381 -6.589 12.758 13.856 1.00 34.24 H new ATOM 0 HE3 LYS A 381 -6.383 14.434 14.325 1.00 34.24 H new ATOM 0 HZ1 LYS A 381 -8.739 13.517 13.926 1.00 31.24 H new ATOM 0 HZ2 LYS A 381 -8.351 15.056 13.323 1.00 31.24 H new ATOM 0 HZ3 LYS A 381 -8.385 13.719 12.278 1.00 31.24 H new ATOM 570 N ASP A 382 -1.974 13.473 8.810 1.00 43.11 N ATOM 571 CA ASP A 382 -1.375 13.072 7.548 1.00 22.54 C ATOM 572 C ASP A 382 -1.526 11.559 7.376 1.00 72.14 C ATOM 573 O ASP A 382 -0.744 10.930 6.664 1.00 0.42 O ATOM 574 CB ASP A 382 0.118 13.404 7.517 1.00 23.20 C ATOM 575 CG ASP A 382 0.451 14.855 7.164 1.00 75.14 C ATOM 576 OD1 ASP A 382 -0.445 15.705 7.049 1.00 44.31 O ATOM 577 OD2 ASP A 382 1.706 15.103 7.001 1.00 21.34 O ATOM 0 H ASP A 382 -2.735 14.147 8.726 1.00 43.11 H new ATOM 0 HA ASP A 382 -1.881 13.612 6.747 1.00 22.54 H new ATOM 0 HB2 ASP A 382 0.546 13.176 8.493 1.00 23.20 H new ATOM 0 HB3 ASP A 382 0.605 12.749 6.795 1.00 23.20 H new ATOM 583 N VAL A 383 -2.538 11.018 8.038 1.00 1.15 N ATOM 584 CA VAL A 383 -2.802 9.591 7.967 1.00 21.02 C ATOM 585 C VAL A 383 -4.275 9.333 8.289 1.00 72.42 C ATOM 586 O VAL A 383 -4.998 10.247 8.680 1.00 15.34 O ATOM 587 CB VAL A 383 -1.846 8.835 8.893 1.00 54.12 C ATOM 588 CG1 VAL A 383 -2.439 8.695 10.296 1.00 33.52 C ATOM 589 CG2 VAL A 383 -1.486 7.467 8.310 1.00 11.10 C ATOM 0 H VAL A 383 -3.185 11.543 8.626 1.00 1.15 H new ATOM 0 HA VAL A 383 -2.619 9.218 6.959 1.00 21.02 H new ATOM 0 HB VAL A 383 -0.928 9.416 8.974 1.00 54.12 H new ATOM 0 HG11 VAL A 383 -1.740 8.154 10.934 1.00 33.52 H new ATOM 0 HG12 VAL A 383 -2.621 9.685 10.714 1.00 33.52 H new ATOM 0 HG13 VAL A 383 -3.379 8.146 10.241 1.00 33.52 H new ATOM 0 HG21 VAL A 383 -0.806 6.950 8.987 1.00 11.10 H new ATOM 0 HG22 VAL A 383 -2.393 6.875 8.185 1.00 11.10 H new ATOM 0 HG23 VAL A 383 -1.003 7.600 7.342 1.00 11.10 H new ATOM 599 N LYS A 384 -4.676 8.082 8.112 1.00 51.34 N ATOM 600 CA LYS A 384 -6.050 7.692 8.378 1.00 11.01 C ATOM 601 C LYS A 384 -6.100 6.194 8.684 1.00 71.35 C ATOM 602 O LYS A 384 -5.456 5.396 8.004 1.00 4.21 O ATOM 603 CB LYS A 384 -6.961 8.115 7.224 1.00 63.04 C ATOM 604 CG LYS A 384 -8.367 7.537 7.394 1.00 31.14 C ATOM 605 CD LYS A 384 -9.283 7.976 6.250 1.00 12.35 C ATOM 606 CE LYS A 384 -10.686 7.388 6.414 1.00 21.25 C ATOM 607 NZ LYS A 384 -11.442 8.131 7.447 1.00 53.11 N ATOM 0 H LYS A 384 -4.073 7.326 7.788 1.00 51.34 H new ATOM 0 HA LYS A 384 -6.429 8.211 9.259 1.00 11.01 H new ATOM 0 HB2 LYS A 384 -7.014 9.203 7.178 1.00 63.04 H new ATOM 0 HB3 LYS A 384 -6.537 7.777 6.279 1.00 63.04 H new ATOM 0 HG2 LYS A 384 -8.315 6.449 7.426 1.00 31.14 H new ATOM 0 HG3 LYS A 384 -8.786 7.864 8.346 1.00 31.14 H new ATOM 0 HD2 LYS A 384 -9.342 9.064 6.224 1.00 12.35 H new ATOM 0 HD3 LYS A 384 -8.860 7.656 5.298 1.00 12.35 H new ATOM 0 HE2 LYS A 384 -11.218 7.431 5.464 1.00 21.25 H new ATOM 0 HE3 LYS A 384 -10.616 6.336 6.692 1.00 21.25 H new ATOM 0 HZ1 LYS A 384 -12.392 7.719 7.546 1.00 53.11 H new ATOM 0 HZ2 LYS A 384 -10.941 8.068 8.356 1.00 53.11 H new ATOM 0 HZ3 LYS A 384 -11.525 9.129 7.166 1.00 53.11 H new ATOM 620 N ILE A 385 -6.872 5.856 9.706 1.00 4.24 N ATOM 621 CA ILE A 385 -7.014 4.468 10.110 1.00 30.41 C ATOM 622 C ILE A 385 -8.350 3.926 9.598 1.00 52.54 C ATOM 623 O ILE A 385 -9.371 4.608 9.676 1.00 32.02 O ATOM 624 CB ILE A 385 -6.834 4.328 11.623 1.00 2.41 C ATOM 625 CG1 ILE A 385 -5.515 4.957 12.078 1.00 30.43 C ATOM 626 CG2 ILE A 385 -6.952 2.866 12.057 1.00 20.01 C ATOM 627 CD1 ILE A 385 -4.323 4.093 11.661 1.00 73.24 C ATOM 0 H ILE A 385 -7.406 6.520 10.267 1.00 4.24 H new ATOM 0 HA ILE A 385 -6.229 3.860 9.661 1.00 30.41 H new ATOM 0 HB ILE A 385 -7.639 4.875 12.115 1.00 2.41 H new ATOM 0 HG12 ILE A 385 -5.415 5.953 11.647 1.00 30.43 H new ATOM 0 HG13 ILE A 385 -5.520 5.078 13.161 1.00 30.43 H new ATOM 0 HG21 ILE A 385 -6.820 2.795 13.137 1.00 20.01 H new ATOM 0 HG22 ILE A 385 -7.936 2.484 11.786 1.00 20.01 H new ATOM 0 HG23 ILE A 385 -6.184 2.275 11.558 1.00 20.01 H new ATOM 0 HD11 ILE A 385 -3.398 4.563 11.996 1.00 73.24 H new ATOM 0 HD12 ILE A 385 -4.413 3.105 12.113 1.00 73.24 H new ATOM 0 HD13 ILE A 385 -4.307 3.995 10.576 1.00 73.24 H new ATOM 639 N GLU A 386 -8.300 2.706 9.084 1.00 12.21 N ATOM 640 CA GLU A 386 -9.494 2.066 8.559 1.00 60.32 C ATOM 641 C GLU A 386 -9.538 0.596 8.982 1.00 42.01 C ATOM 642 O GLU A 386 -8.517 0.025 9.363 1.00 41.34 O ATOM 643 CB GLU A 386 -9.564 2.200 7.036 1.00 4.33 C ATOM 644 CG GLU A 386 -10.502 3.337 6.629 1.00 55.53 C ATOM 645 CD GLU A 386 -11.636 2.821 5.741 1.00 71.25 C ATOM 646 OE1 GLU A 386 -11.411 1.939 4.898 1.00 10.02 O ATOM 647 OE2 GLU A 386 -12.785 3.368 5.950 1.00 35.20 O ATOM 0 H GLU A 386 -7.451 2.144 9.020 1.00 12.21 H new ATOM 0 HA GLU A 386 -10.366 2.571 8.976 1.00 60.32 H new ATOM 0 HB2 GLU A 386 -8.567 2.386 6.637 1.00 4.33 H new ATOM 0 HB3 GLU A 386 -9.912 1.263 6.600 1.00 4.33 H new ATOM 0 HG2 GLU A 386 -10.918 3.807 7.520 1.00 55.53 H new ATOM 0 HG3 GLU A 386 -9.940 4.105 6.097 1.00 55.53 H new ATOM 655 N PRO A 387 -10.762 0.010 8.899 1.00 54.22 N ATOM 656 CA PRO A 387 -11.920 0.758 8.438 1.00 62.33 C ATOM 657 C PRO A 387 -12.416 1.722 9.517 1.00 21.34 C ATOM 658 O PRO A 387 -13.303 2.546 9.300 1.00 74.12 O ATOM 659 CB PRO A 387 -12.948 -0.298 8.067 1.00 61.54 C ATOM 660 CG PRO A 387 -12.506 -1.574 8.766 1.00 15.21 C ATOM 661 CD PRO A 387 -11.076 -1.374 9.241 1.00 73.05 C ATOM 0 HA PRO A 387 -11.696 1.395 7.582 1.00 62.33 H new ATOM 0 HB2 PRO A 387 -13.946 -0.002 8.390 1.00 61.54 H new ATOM 0 HB3 PRO A 387 -12.991 -0.439 6.987 1.00 61.54 H new ATOM 0 HG2 PRO A 387 -13.161 -1.794 9.609 1.00 15.21 H new ATOM 0 HG3 PRO A 387 -12.567 -2.423 8.085 1.00 15.21 H new ATOM 0 HD2 PRO A 387 -10.987 -1.547 10.314 1.00 73.05 H new ATOM 0 HD3 PRO A 387 -10.395 -2.068 8.749 1.00 73.05 H new ATOM 669 N CYS A 388 -11.817 1.599 10.698 1.00 11.11 N ATOM 670 CA CYS A 388 -12.177 2.444 11.830 1.00 53.11 C ATOM 671 C CYS A 388 -12.501 3.863 11.370 1.00 61.44 C ATOM 672 O CYS A 388 -13.672 4.237 11.352 1.00 14.25 O ATOM 673 CB CYS A 388 -11.040 2.475 12.853 1.00 50.45 C ATOM 674 SG CYS A 388 -11.380 3.515 14.310 1.00 64.10 S ATOM 0 H CYS A 388 -11.080 0.922 10.895 1.00 11.11 H new ATOM 0 HA CYS A 388 -13.066 2.021 12.298 1.00 53.11 H new ATOM 0 HB2 CYS A 388 -10.837 1.457 13.186 1.00 50.45 H new ATOM 0 HB3 CYS A 388 -10.135 2.837 12.364 1.00 50.45 H new ATOM 679 N GLY A 389 -11.468 4.611 11.012 1.00 53.55 N ATOM 680 CA GLY A 389 -11.657 5.979 10.557 1.00 72.40 C ATOM 681 C GLY A 389 -10.987 6.971 11.510 1.00 61.34 C ATOM 682 O GLY A 389 -11.267 8.168 11.463 1.00 62.44 O ATOM 0 H GLY A 389 -10.498 4.297 11.028 1.00 53.55 H new ATOM 0 HA2 GLY A 389 -11.242 6.094 9.556 1.00 72.40 H new ATOM 0 HA3 GLY A 389 -12.722 6.199 10.487 1.00 72.40 H new ATOM 686 N HIS A 390 -10.115 6.436 12.352 1.00 42.53 N ATOM 687 CA HIS A 390 -9.402 7.260 13.314 1.00 74.01 C ATOM 688 C HIS A 390 -8.137 7.826 12.667 1.00 25.13 C ATOM 689 O HIS A 390 -7.320 7.077 12.133 1.00 50.11 O ATOM 690 CB HIS A 390 -9.114 6.473 14.594 1.00 44.22 C ATOM 691 CG HIS A 390 -10.348 6.121 15.390 1.00 4.30 C ATOM 692 ND1 HIS A 390 -10.335 5.202 16.425 1.00 54.05 N ATOM 693 CD2 HIS A 390 -11.630 6.575 15.293 1.00 12.12 C ATOM 694 CE1 HIS A 390 -11.561 5.114 16.920 1.00 20.20 C ATOM 695 NE2 HIS A 390 -12.362 5.965 16.217 1.00 11.12 N ATOM 0 H HIS A 390 -9.886 5.443 12.388 1.00 42.53 H new ATOM 0 HA HIS A 390 -10.025 8.104 13.609 1.00 74.01 H new ATOM 0 HB2 HIS A 390 -8.588 5.554 14.333 1.00 44.22 H new ATOM 0 HB3 HIS A 390 -8.442 7.057 15.224 1.00 44.22 H new ATOM 0 HD2 HIS A 390 -11.989 7.307 14.584 1.00 12.12 H new ATOM 0 HE1 HIS A 390 -11.872 4.480 17.737 1.00 20.20 H new ATOM 0 HE2 HIS A 390 -13.359 6.109 16.375 1.00 11.12 H new ATOM 703 N LEU A 391 -8.013 9.143 12.737 1.00 11.13 N ATOM 704 CA LEU A 391 -6.860 9.818 12.165 1.00 15.35 C ATOM 705 C LEU A 391 -5.819 10.056 13.261 1.00 40.23 C ATOM 706 O LEU A 391 -6.149 10.060 14.446 1.00 62.23 O ATOM 707 CB LEU A 391 -7.292 11.094 11.440 1.00 54.21 C ATOM 708 CG LEU A 391 -8.625 11.022 10.692 1.00 60.14 C ATOM 709 CD1 LEU A 391 -8.712 9.748 9.849 1.00 33.44 C ATOM 710 CD2 LEU A 391 -9.804 11.152 11.658 1.00 51.43 C ATOM 0 H LEU A 391 -8.692 9.761 13.181 1.00 11.13 H new ATOM 0 HA LEU A 391 -6.389 9.192 11.407 1.00 15.35 H new ATOM 0 HB2 LEU A 391 -7.351 11.901 12.170 1.00 54.21 H new ATOM 0 HB3 LEU A 391 -6.513 11.365 10.728 1.00 54.21 H new ATOM 0 HG LEU A 391 -8.678 11.867 10.005 1.00 60.14 H new ATOM 0 HD11 LEU A 391 -9.669 9.721 9.328 1.00 33.44 H new ATOM 0 HD12 LEU A 391 -7.901 9.738 9.120 1.00 33.44 H new ATOM 0 HD13 LEU A 391 -8.628 8.876 10.498 1.00 33.44 H new ATOM 0 HD21 LEU A 391 -10.739 11.098 11.100 1.00 51.43 H new ATOM 0 HD22 LEU A 391 -9.768 10.342 12.387 1.00 51.43 H new ATOM 0 HD23 LEU A 391 -9.746 12.109 12.176 1.00 51.43 H new ATOM 722 N MET A 392 -4.583 10.249 12.825 1.00 4.13 N ATOM 723 CA MET A 392 -3.491 10.487 13.754 1.00 43.20 C ATOM 724 C MET A 392 -2.207 10.855 13.008 1.00 44.22 C ATOM 725 O MET A 392 -2.174 10.843 11.778 1.00 1.52 O ATOM 726 CB MET A 392 -3.251 9.231 14.594 1.00 73.24 C ATOM 727 CG MET A 392 -2.841 8.051 13.710 1.00 70.00 C ATOM 728 SD MET A 392 -2.864 6.540 14.660 1.00 62.00 S ATOM 729 CE MET A 392 -4.596 6.467 15.084 1.00 31.51 C ATOM 0 H MET A 392 -4.313 10.245 11.841 1.00 4.13 H new ATOM 0 HA MET A 392 -3.765 11.320 14.401 1.00 43.20 H new ATOM 0 HB2 MET A 392 -2.472 9.426 15.331 1.00 73.24 H new ATOM 0 HB3 MET A 392 -4.157 8.979 15.146 1.00 73.24 H new ATOM 0 HG2 MET A 392 -3.521 7.968 12.862 1.00 70.00 H new ATOM 0 HG3 MET A 392 -1.844 8.220 13.304 1.00 70.00 H new ATOM 0 HE1 MET A 392 -4.932 5.430 15.064 1.00 31.51 H new ATOM 0 HE2 MET A 392 -4.744 6.877 16.083 1.00 31.51 H new ATOM 0 HE3 MET A 392 -5.172 7.049 14.364 1.00 31.51 H new ATOM 739 N CYS A 393 -1.180 11.173 13.783 1.00 52.32 N ATOM 740 CA CYS A 393 0.103 11.544 13.211 1.00 70.03 C ATOM 741 C CYS A 393 1.025 10.325 13.269 1.00 23.33 C ATOM 742 O CYS A 393 1.385 9.866 14.352 1.00 24.13 O ATOM 743 CB CYS A 393 0.711 12.754 13.922 1.00 10.41 C ATOM 744 SG CYS A 393 0.574 12.721 15.747 1.00 62.34 S ATOM 0 H CYS A 393 -1.211 11.181 14.803 1.00 52.32 H new ATOM 0 HA CYS A 393 -0.033 11.847 12.173 1.00 70.03 H new ATOM 0 HB2 CYS A 393 1.765 12.825 13.652 1.00 10.41 H new ATOM 0 HB3 CYS A 393 0.226 13.657 13.552 1.00 10.41 H new ATOM 749 N THR A 394 1.381 9.835 12.091 1.00 64.30 N ATOM 750 CA THR A 394 2.255 8.678 11.995 1.00 71.44 C ATOM 751 C THR A 394 3.453 8.834 12.933 1.00 0.30 C ATOM 752 O THR A 394 4.050 7.845 13.354 1.00 63.34 O ATOM 753 CB THR A 394 2.651 8.505 10.527 1.00 41.21 C ATOM 754 OG1 THR A 394 1.408 8.492 9.831 1.00 53.10 O ATOM 755 CG2 THR A 394 3.253 7.128 10.241 1.00 72.23 C ATOM 0 H THR A 394 1.080 10.218 11.195 1.00 64.30 H new ATOM 0 HA THR A 394 1.746 7.770 12.319 1.00 71.44 H new ATOM 0 HB THR A 394 3.368 9.279 10.251 1.00 41.21 H new ATOM 0 HG1 THR A 394 1.572 8.385 8.871 1.00 53.10 H new ATOM 0 HG21 THR A 394 3.516 7.058 9.186 1.00 72.23 H new ATOM 0 HG22 THR A 394 4.147 6.989 10.848 1.00 72.23 H new ATOM 0 HG23 THR A 394 2.525 6.355 10.485 1.00 72.23 H new ATOM 763 N SER A 395 3.769 10.085 13.234 1.00 53.42 N ATOM 764 CA SER A 395 4.885 10.385 14.115 1.00 72.42 C ATOM 765 C SER A 395 4.577 9.900 15.533 1.00 55.11 C ATOM 766 O SER A 395 5.439 9.329 16.199 1.00 52.11 O ATOM 767 CB SER A 395 5.195 11.883 14.121 1.00 30.34 C ATOM 768 OG SER A 395 4.011 12.673 14.192 1.00 70.30 O ATOM 0 H SER A 395 3.271 10.903 12.883 1.00 53.42 H new ATOM 0 HA SER A 395 5.765 9.862 13.742 1.00 72.42 H new ATOM 0 HB2 SER A 395 5.838 12.117 14.969 1.00 30.34 H new ATOM 0 HB3 SER A 395 5.750 12.142 13.219 1.00 30.34 H new ATOM 0 HG SER A 395 4.205 13.582 13.881 1.00 70.30 H new ATOM 774 N CYS A 396 3.344 10.146 15.953 1.00 62.30 N ATOM 775 CA CYS A 396 2.911 9.742 17.280 1.00 64.41 C ATOM 776 C CYS A 396 2.549 8.256 17.235 1.00 21.23 C ATOM 777 O CYS A 396 3.004 7.477 18.072 1.00 54.11 O ATOM 778 CB CYS A 396 1.747 10.598 17.780 1.00 14.32 C ATOM 779 SG CYS A 396 2.140 12.371 18.007 1.00 30.03 S ATOM 0 H CYS A 396 2.632 10.620 15.398 1.00 62.30 H new ATOM 0 HA CYS A 396 3.721 9.896 17.993 1.00 64.41 H new ATOM 0 HB2 CYS A 396 0.921 10.511 17.074 1.00 14.32 H new ATOM 0 HB3 CYS A 396 1.398 10.193 18.730 1.00 14.32 H new ATOM 784 N LEU A 397 1.734 7.907 16.250 1.00 2.44 N ATOM 785 CA LEU A 397 1.306 6.529 16.086 1.00 72.22 C ATOM 786 C LEU A 397 2.516 5.603 16.227 1.00 73.00 C ATOM 787 O LEU A 397 2.463 4.614 16.956 1.00 22.13 O ATOM 788 CB LEU A 397 0.550 6.356 14.767 1.00 41.54 C ATOM 789 CG LEU A 397 -0.124 5.000 14.552 1.00 34.13 C ATOM 790 CD1 LEU A 397 -0.804 4.936 13.183 1.00 33.03 C ATOM 791 CD2 LEU A 397 0.871 3.855 14.752 1.00 13.11 C ATOM 0 H LEU A 397 1.359 8.555 15.558 1.00 2.44 H new ATOM 0 HA LEU A 397 0.600 6.254 16.870 1.00 72.22 H new ATOM 0 HB2 LEU A 397 -0.213 7.132 14.704 1.00 41.54 H new ATOM 0 HB3 LEU A 397 1.247 6.527 13.947 1.00 41.54 H new ATOM 0 HG LEU A 397 -0.904 4.884 15.304 1.00 34.13 H new ATOM 0 HD11 LEU A 397 -1.275 3.961 13.056 1.00 33.03 H new ATOM 0 HD12 LEU A 397 -1.562 5.717 13.116 1.00 33.03 H new ATOM 0 HD13 LEU A 397 -0.060 5.084 12.400 1.00 33.03 H new ATOM 0 HD21 LEU A 397 0.366 2.902 14.593 1.00 13.11 H new ATOM 0 HD22 LEU A 397 1.689 3.955 14.039 1.00 13.11 H new ATOM 0 HD23 LEU A 397 1.268 3.891 15.767 1.00 13.11 H new ATOM 803 N THR A 398 3.577 5.957 15.518 1.00 62.25 N ATOM 804 CA THR A 398 4.798 5.170 15.555 1.00 62.04 C ATOM 805 C THR A 398 5.268 4.983 16.998 1.00 24.34 C ATOM 806 O THR A 398 5.813 3.937 17.347 1.00 64.52 O ATOM 807 CB THR A 398 5.833 5.860 14.663 1.00 13.24 C ATOM 808 OG1 THR A 398 5.682 5.222 13.398 1.00 23.24 O ATOM 809 CG2 THR A 398 7.270 5.536 15.076 1.00 41.43 C ATOM 0 H THR A 398 3.617 6.778 14.914 1.00 62.25 H new ATOM 0 HA THR A 398 4.632 4.165 15.167 1.00 62.04 H new ATOM 0 HB THR A 398 5.680 6.939 14.697 1.00 13.24 H new ATOM 0 HG1 THR A 398 5.126 5.780 12.814 1.00 23.24 H new ATOM 0 HG21 THR A 398 7.964 6.050 14.411 1.00 41.43 H new ATOM 0 HG22 THR A 398 7.437 5.866 16.101 1.00 41.43 H new ATOM 0 HG23 THR A 398 7.434 4.460 15.010 1.00 41.43 H new ATOM 817 N ALA A 399 5.040 6.013 17.800 1.00 62.05 N ATOM 818 CA ALA A 399 5.434 5.975 19.198 1.00 55.22 C ATOM 819 C ALA A 399 4.666 4.859 19.909 1.00 21.01 C ATOM 820 O ALA A 399 5.143 4.307 20.899 1.00 34.44 O ATOM 821 CB ALA A 399 5.192 7.346 19.834 1.00 73.35 C ATOM 0 H ALA A 399 4.587 6.879 17.508 1.00 62.05 H new ATOM 0 HA ALA A 399 6.498 5.755 19.292 1.00 55.22 H new ATOM 0 HB1 ALA A 399 5.487 7.318 20.883 1.00 73.35 H new ATOM 0 HB2 ALA A 399 5.782 8.099 19.311 1.00 73.35 H new ATOM 0 HB3 ALA A 399 4.134 7.599 19.762 1.00 73.35 H new ATOM 827 N TRP A 400 3.490 4.560 19.376 1.00 5.21 N ATOM 828 CA TRP A 400 2.652 3.520 19.947 1.00 24.25 C ATOM 829 C TRP A 400 3.189 2.167 19.475 1.00 42.34 C ATOM 830 O TRP A 400 3.458 1.284 20.287 1.00 73.40 O ATOM 831 CB TRP A 400 1.182 3.739 19.585 1.00 3.30 C ATOM 832 CG TRP A 400 0.383 2.446 19.417 1.00 31.40 C ATOM 833 CD1 TRP A 400 -0.069 1.897 18.281 1.00 33.33 C ATOM 834 CD2 TRP A 400 -0.043 1.555 20.470 1.00 50.20 C ATOM 835 NE1 TRP A 400 -0.753 0.723 18.524 1.00 62.40 N ATOM 836 CE2 TRP A 400 -0.736 0.508 19.897 1.00 11.33 C ATOM 837 CE3 TRP A 400 0.151 1.632 21.860 1.00 22.34 C ATOM 838 CZ2 TRP A 400 -1.291 -0.541 20.640 1.00 50.03 C ATOM 839 CZ3 TRP A 400 -0.410 0.575 22.588 1.00 4.43 C ATOM 840 CH2 TRP A 400 -1.110 -0.486 22.027 1.00 52.42 C ATOM 0 H TRP A 400 3.098 5.020 18.554 1.00 5.21 H new ATOM 0 HA TRP A 400 2.690 3.549 21.036 1.00 24.25 H new ATOM 0 HB2 TRP A 400 0.714 4.345 20.361 1.00 3.30 H new ATOM 0 HB3 TRP A 400 1.128 4.310 18.658 1.00 3.30 H new ATOM 0 HD1 TRP A 400 0.083 2.320 17.299 1.00 33.33 H new ATOM 0 HE1 TRP A 400 -1.191 0.123 17.824 1.00 62.40 H new ATOM 0 HE3 TRP A 400 0.690 2.442 22.329 1.00 22.34 H new ATOM 0 HZ2 TRP A 400 -1.830 -1.349 20.168 1.00 50.03 H new ATOM 0 HZ3 TRP A 400 -0.290 0.585 23.661 1.00 4.43 H new ATOM 0 HH2 TRP A 400 -1.513 -1.265 22.658 1.00 52.42 H new ATOM 851 N GLN A 401 3.330 2.048 18.163 1.00 54.44 N ATOM 852 CA GLN A 401 3.830 0.819 17.572 1.00 75.42 C ATOM 853 C GLN A 401 5.254 0.539 18.054 1.00 45.22 C ATOM 854 O GLN A 401 5.793 -0.542 17.818 1.00 15.42 O ATOM 855 CB GLN A 401 3.770 0.880 16.044 1.00 14.13 C ATOM 856 CG GLN A 401 2.387 1.329 15.567 1.00 11.55 C ATOM 857 CD GLN A 401 1.585 0.147 15.021 1.00 55.14 C ATOM 858 OE1 GLN A 401 2.097 -0.941 14.812 1.00 14.52 O ATOM 859 NE2 GLN A 401 0.301 0.419 14.801 1.00 44.42 N ATOM 0 H GLN A 401 3.106 2.783 17.492 1.00 54.44 H new ATOM 0 HA GLN A 401 3.190 -0.002 17.895 1.00 75.42 H new ATOM 0 HB2 GLN A 401 4.528 1.570 15.674 1.00 14.13 H new ATOM 0 HB3 GLN A 401 4.002 -0.101 15.628 1.00 14.13 H new ATOM 0 HG2 GLN A 401 1.845 1.790 16.393 1.00 11.55 H new ATOM 0 HG3 GLN A 401 2.494 2.089 14.793 1.00 11.55 H new ATOM 0 HE21 GLN A 401 -0.064 1.351 14.997 1.00 44.42 H new ATOM 0 HE22 GLN A 401 -0.318 -0.305 14.436 1.00 44.42 H new ATOM 868 N GLU A 402 5.825 1.532 18.720 1.00 42.22 N ATOM 869 CA GLU A 402 7.177 1.407 19.237 1.00 63.21 C ATOM 870 C GLU A 402 7.423 -0.017 19.741 1.00 12.45 C ATOM 871 O GLU A 402 8.270 -0.731 19.207 1.00 14.01 O ATOM 872 CB GLU A 402 7.439 2.433 20.341 1.00 23.23 C ATOM 873 CG GLU A 402 7.940 3.754 19.755 1.00 54.35 C ATOM 874 CD GLU A 402 9.463 3.748 19.609 1.00 73.44 C ATOM 875 OE1 GLU A 402 10.071 2.672 19.509 1.00 62.22 O ATOM 876 OE2 GLU A 402 10.015 4.913 19.600 1.00 54.53 O ATOM 0 H GLU A 402 5.376 2.427 18.913 1.00 42.22 H new ATOM 0 HA GLU A 402 7.876 1.610 18.425 1.00 63.21 H new ATOM 0 HB2 GLU A 402 6.523 2.606 20.906 1.00 23.23 H new ATOM 0 HB3 GLU A 402 8.176 2.039 21.041 1.00 23.23 H new ATOM 0 HG2 GLU A 402 7.479 3.922 18.782 1.00 54.35 H new ATOM 0 HG3 GLU A 402 7.636 4.580 20.399 1.00 54.35 H new ATOM 884 N SER A 403 6.667 -0.386 20.765 1.00 73.22 N ATOM 885 CA SER A 403 6.792 -1.711 21.347 1.00 34.44 C ATOM 886 C SER A 403 5.450 -2.443 21.276 1.00 72.13 C ATOM 887 O SER A 403 5.408 -3.672 21.278 1.00 21.44 O ATOM 888 CB SER A 403 7.276 -1.633 22.796 1.00 4.44 C ATOM 889 OG SER A 403 7.177 -2.889 23.462 1.00 51.23 O ATOM 0 H SER A 403 5.966 0.210 21.206 1.00 73.22 H new ATOM 0 HA SER A 403 7.534 -2.267 20.773 1.00 34.44 H new ATOM 0 HB2 SER A 403 8.312 -1.294 22.814 1.00 4.44 H new ATOM 0 HB3 SER A 403 6.688 -0.890 23.335 1.00 4.44 H new ATOM 0 HG SER A 403 7.497 -2.797 24.384 1.00 51.23 H new ATOM 895 N ASP A 404 4.386 -1.656 21.213 1.00 33.32 N ATOM 896 CA ASP A 404 3.046 -2.214 21.141 1.00 52.21 C ATOM 897 C ASP A 404 2.719 -2.557 19.686 1.00 30.53 C ATOM 898 O ASP A 404 3.061 -3.638 19.208 1.00 33.01 O ATOM 899 CB ASP A 404 2.004 -1.209 21.635 1.00 54.42 C ATOM 900 CG ASP A 404 1.876 -1.104 23.156 1.00 70.21 C ATOM 901 OD1 ASP A 404 1.056 -1.796 23.777 1.00 33.21 O ATOM 902 OD2 ASP A 404 2.674 -0.258 23.713 1.00 3.31 O ATOM 0 H ASP A 404 4.424 -0.637 21.210 1.00 33.32 H new ATOM 0 HA ASP A 404 3.016 -3.103 21.771 1.00 52.21 H new ATOM 0 HB2 ASP A 404 2.254 -0.225 21.238 1.00 54.42 H new ATOM 0 HB3 ASP A 404 1.033 -1.483 21.222 1.00 54.42 H new ATOM 908 N GLY A 405 2.061 -1.618 19.023 1.00 0.12 N ATOM 909 CA GLY A 405 1.684 -1.808 17.633 1.00 42.32 C ATOM 910 C GLY A 405 0.518 -2.791 17.510 1.00 44.01 C ATOM 911 O GLY A 405 0.426 -3.530 16.531 1.00 33.32 O ATOM 0 H GLY A 405 1.779 -0.723 19.423 1.00 0.12 H new ATOM 0 HA2 GLY A 405 1.404 -0.850 17.194 1.00 42.32 H new ATOM 0 HA3 GLY A 405 2.539 -2.180 17.068 1.00 42.32 H new ATOM 915 N GLN A 406 -0.342 -2.768 18.517 1.00 52.30 N ATOM 916 CA GLN A 406 -1.498 -3.648 18.534 1.00 12.11 C ATOM 917 C GLN A 406 -2.685 -2.979 17.837 1.00 21.23 C ATOM 918 O GLN A 406 -3.710 -2.718 18.464 1.00 15.11 O ATOM 919 CB GLN A 406 -1.859 -4.052 19.965 1.00 0.50 C ATOM 920 CG GLN A 406 -2.427 -5.471 20.008 1.00 75.35 C ATOM 921 CD GLN A 406 -2.948 -5.812 21.406 1.00 64.05 C ATOM 922 OE1 GLN A 406 -2.477 -5.307 22.411 1.00 2.14 O ATOM 923 NE2 GLN A 406 -3.943 -6.695 21.412 1.00 4.44 N ATOM 0 H GLN A 406 -0.262 -2.154 19.327 1.00 52.30 H new ATOM 0 HA GLN A 406 -1.246 -4.557 17.988 1.00 12.11 H new ATOM 0 HB2 GLN A 406 -0.974 -3.992 20.598 1.00 0.50 H new ATOM 0 HB3 GLN A 406 -2.589 -3.352 20.371 1.00 0.50 H new ATOM 0 HG2 GLN A 406 -3.235 -5.565 19.282 1.00 75.35 H new ATOM 0 HG3 GLN A 406 -1.655 -6.184 19.720 1.00 75.35 H new ATOM 0 HE21 GLN A 406 -4.290 -7.079 20.533 1.00 4.44 H new ATOM 0 HE22 GLN A 406 -4.359 -6.988 22.296 1.00 4.44 H new ATOM 932 N GLY A 407 -2.506 -2.721 16.550 1.00 22.41 N ATOM 933 CA GLY A 407 -3.549 -2.088 15.761 1.00 31.25 C ATOM 934 C GLY A 407 -3.758 -0.635 16.194 1.00 30.50 C ATOM 935 O GLY A 407 -2.902 -0.052 16.857 1.00 64.12 O ATOM 0 H GLY A 407 -1.654 -2.939 16.034 1.00 22.41 H new ATOM 0 HA2 GLY A 407 -3.282 -2.122 14.705 1.00 31.25 H new ATOM 0 HA3 GLY A 407 -4.481 -2.642 15.872 1.00 31.25 H new ATOM 939 N CYS A 408 -4.901 -0.093 15.801 1.00 34.34 N ATOM 940 CA CYS A 408 -5.234 1.280 16.140 1.00 3.13 C ATOM 941 C CYS A 408 -5.180 1.426 17.662 1.00 21.23 C ATOM 942 O CYS A 408 -5.873 0.709 18.383 1.00 50.41 O ATOM 943 CB CYS A 408 -6.596 1.688 15.576 1.00 42.35 C ATOM 944 SG CYS A 408 -6.793 3.481 15.268 1.00 0.41 S ATOM 0 H CYS A 408 -5.608 -0.580 15.251 1.00 34.34 H new ATOM 0 HA CYS A 408 -4.509 1.955 15.685 1.00 3.13 H new ATOM 0 HB2 CYS A 408 -6.762 1.153 14.641 1.00 42.35 H new ATOM 0 HB3 CYS A 408 -7.372 1.365 16.270 1.00 42.35 H new ATOM 949 N PRO A 409 -4.328 2.383 18.118 1.00 31.14 N ATOM 950 CA PRO A 409 -4.175 2.632 19.542 1.00 61.24 C ATOM 951 C PRO A 409 -5.381 3.391 20.099 1.00 60.24 C ATOM 952 O PRO A 409 -5.449 3.663 21.296 1.00 23.13 O ATOM 953 CB PRO A 409 -2.874 3.409 19.667 1.00 34.54 C ATOM 954 CG PRO A 409 -2.587 3.967 18.283 1.00 12.43 C ATOM 955 CD PRO A 409 -3.491 3.250 17.294 1.00 15.32 C ATOM 0 HA PRO A 409 -4.133 1.714 20.128 1.00 61.24 H new ATOM 0 HB2 PRO A 409 -2.967 4.211 20.400 1.00 34.54 H new ATOM 0 HB3 PRO A 409 -2.064 2.762 20.003 1.00 34.54 H new ATOM 0 HG2 PRO A 409 -2.771 5.041 18.259 1.00 12.43 H new ATOM 0 HG3 PRO A 409 -1.540 3.817 18.021 1.00 12.43 H new ATOM 0 HD2 PRO A 409 -4.094 3.957 16.724 1.00 15.32 H new ATOM 0 HD3 PRO A 409 -2.911 2.673 16.574 1.00 15.32 H new ATOM 963 N PHE A 410 -6.303 3.711 19.203 1.00 73.00 N ATOM 964 CA PHE A 410 -7.503 4.433 19.590 1.00 54.00 C ATOM 965 C PHE A 410 -8.617 3.467 20.000 1.00 64.30 C ATOM 966 O PHE A 410 -9.327 3.710 20.975 1.00 64.45 O ATOM 967 CB PHE A 410 -7.961 5.229 18.366 1.00 4.10 C ATOM 968 CG PHE A 410 -7.419 6.659 18.316 1.00 44.12 C ATOM 969 CD1 PHE A 410 -7.536 7.469 19.402 1.00 55.44 C ATOM 970 CD2 PHE A 410 -6.819 7.120 17.185 1.00 21.34 C ATOM 971 CE1 PHE A 410 -7.033 8.797 19.355 1.00 34.41 C ATOM 972 CE2 PHE A 410 -6.316 8.447 17.139 1.00 61.31 C ATOM 973 CZ PHE A 410 -6.434 9.257 18.225 1.00 43.24 C ATOM 0 H PHE A 410 -6.243 3.484 18.210 1.00 73.00 H new ATOM 0 HA PHE A 410 -7.289 5.080 20.440 1.00 54.00 H new ATOM 0 HB2 PHE A 410 -7.649 4.701 17.465 1.00 4.10 H new ATOM 0 HB3 PHE A 410 -9.050 5.264 18.354 1.00 4.10 H new ATOM 0 HD1 PHE A 410 -8.011 7.103 20.300 1.00 55.44 H new ATOM 0 HD2 PHE A 410 -6.725 6.477 16.323 1.00 21.34 H new ATOM 0 HE1 PHE A 410 -7.127 9.441 20.217 1.00 34.41 H new ATOM 0 HE2 PHE A 410 -5.840 8.813 16.242 1.00 61.31 H new ATOM 0 HZ PHE A 410 -6.052 10.266 18.190 1.00 43.24 H new ATOM 983 N CYS A 411 -8.734 2.391 19.235 1.00 11.13 N ATOM 984 CA CYS A 411 -9.749 1.387 19.507 1.00 43.02 C ATOM 985 C CYS A 411 -9.045 0.067 19.829 1.00 43.45 C ATOM 986 O CYS A 411 -9.682 -0.984 19.881 1.00 42.45 O ATOM 987 CB CYS A 411 -10.728 1.242 18.340 1.00 44.11 C ATOM 988 SG CYS A 411 -10.023 1.626 16.695 1.00 20.41 S ATOM 0 H CYS A 411 -8.143 2.193 18.428 1.00 11.13 H new ATOM 0 HA CYS A 411 -10.349 1.696 20.363 1.00 43.02 H new ATOM 0 HB2 CYS A 411 -11.108 0.220 18.327 1.00 44.11 H new ATOM 0 HB3 CYS A 411 -11.581 1.897 18.516 1.00 44.11 H new ATOM 993 N ARG A 412 -7.740 0.165 20.036 1.00 22.11 N ATOM 994 CA ARG A 412 -6.942 -1.008 20.351 1.00 34.13 C ATOM 995 C ARG A 412 -7.422 -2.211 19.536 1.00 42.31 C ATOM 996 O ARG A 412 -7.592 -3.303 20.075 1.00 24.03 O ATOM 997 CB ARG A 412 -7.024 -1.346 21.841 1.00 13.34 C ATOM 998 CG ARG A 412 -5.917 -2.322 22.244 1.00 33.01 C ATOM 999 CD ARG A 412 -4.552 -1.834 21.756 1.00 4.14 C ATOM 1000 NE ARG A 412 -4.387 -0.397 22.069 1.00 43.23 N ATOM 1001 CZ ARG A 412 -3.886 0.073 23.231 1.00 32.54 C ATOM 1002 NH1 ARG A 412 -3.497 -0.780 24.203 1.00 2.33 N ATOM 1003 NH2 ARG A 412 -3.783 1.377 23.404 1.00 55.23 N ATOM 0 H ARG A 412 -7.215 1.039 19.992 1.00 22.11 H new ATOM 0 HA ARG A 412 -5.906 -0.782 20.097 1.00 34.13 H new ATOM 0 HB2 ARG A 412 -6.940 -0.433 22.430 1.00 13.34 H new ATOM 0 HB3 ARG A 412 -7.997 -1.782 22.066 1.00 13.34 H new ATOM 0 HG2 ARG A 412 -5.901 -2.432 23.328 1.00 33.01 H new ATOM 0 HG3 ARG A 412 -6.126 -3.307 21.826 1.00 33.01 H new ATOM 0 HD2 ARG A 412 -3.759 -2.412 22.231 1.00 4.14 H new ATOM 0 HD3 ARG A 412 -4.462 -1.993 20.681 1.00 4.14 H new ATOM 0 HE ARG A 412 -4.670 0.281 21.362 1.00 43.23 H new ATOM 0 HH11 ARG A 412 -3.581 -1.787 24.062 1.00 2.33 H new ATOM 0 HH12 ARG A 412 -3.119 -0.418 25.078 1.00 2.33 H new ATOM 0 HH21 ARG A 412 -4.080 2.015 22.665 1.00 55.23 H new ATOM 0 HH22 ARG A 412 -3.406 1.748 24.277 1.00 55.23 H new ATOM 1016 N CYS A 413 -7.627 -1.969 18.249 1.00 25.14 N ATOM 1017 CA CYS A 413 -8.083 -3.019 17.354 1.00 11.32 C ATOM 1018 C CYS A 413 -7.186 -3.017 16.115 1.00 61.10 C ATOM 1019 O CYS A 413 -6.659 -1.976 15.727 1.00 4.45 O ATOM 1020 CB CYS A 413 -9.559 -2.849 16.990 1.00 35.23 C ATOM 1021 SG CYS A 413 -10.277 -4.465 16.516 1.00 4.33 S ATOM 0 H CYS A 413 -7.486 -1.062 17.805 1.00 25.14 H new ATOM 0 HA CYS A 413 -8.008 -3.985 17.854 1.00 11.32 H new ATOM 0 HB2 CYS A 413 -10.105 -2.433 17.837 1.00 35.23 H new ATOM 0 HB3 CYS A 413 -9.660 -2.141 16.167 1.00 35.23 H new ATOM 0 HG CYS A 413 -11.531 -4.310 16.211 1.00 4.33 H new ATOM 1027 N GLU A 414 -7.040 -4.196 15.528 1.00 53.35 N ATOM 1028 CA GLU A 414 -6.216 -4.343 14.340 1.00 20.21 C ATOM 1029 C GLU A 414 -6.723 -3.427 13.225 1.00 73.25 C ATOM 1030 O GLU A 414 -7.907 -3.097 13.178 1.00 73.22 O ATOM 1031 CB GLU A 414 -6.177 -5.801 13.877 1.00 11.03 C ATOM 1032 CG GLU A 414 -5.086 -6.013 12.825 1.00 35.54 C ATOM 1033 CD GLU A 414 -4.778 -7.502 12.648 1.00 12.42 C ATOM 1034 OE1 GLU A 414 -5.209 -8.110 11.658 1.00 75.42 O ATOM 1035 OE2 GLU A 414 -4.062 -8.025 13.585 1.00 62.34 O ATOM 0 H GLU A 414 -7.478 -5.058 15.853 1.00 53.35 H new ATOM 0 HA GLU A 414 -5.197 -4.048 14.590 1.00 20.21 H new ATOM 0 HB2 GLU A 414 -5.995 -6.453 14.731 1.00 11.03 H new ATOM 0 HB3 GLU A 414 -7.146 -6.081 13.463 1.00 11.03 H new ATOM 0 HG2 GLU A 414 -5.406 -5.588 11.873 1.00 35.54 H new ATOM 0 HG3 GLU A 414 -4.181 -5.483 13.122 1.00 35.54 H new ATOM 1043 N ILE A 415 -5.802 -3.042 12.353 1.00 31.45 N ATOM 1044 CA ILE A 415 -6.141 -2.171 11.241 1.00 13.03 C ATOM 1045 C ILE A 415 -6.130 -2.980 9.943 1.00 61.30 C ATOM 1046 O ILE A 415 -5.449 -4.001 9.849 1.00 12.43 O ATOM 1047 CB ILE A 415 -5.217 -0.952 11.214 1.00 22.24 C ATOM 1048 CG1 ILE A 415 -4.794 -0.554 12.630 1.00 45.33 C ATOM 1049 CG2 ILE A 415 -5.865 0.211 10.461 1.00 11.11 C ATOM 1050 CD1 ILE A 415 -3.814 0.621 12.599 1.00 63.04 C ATOM 0 H ILE A 415 -4.821 -3.318 12.395 1.00 31.45 H new ATOM 0 HA ILE A 415 -7.149 -1.775 11.361 1.00 13.03 H new ATOM 0 HB ILE A 415 -4.311 -1.222 10.671 1.00 22.24 H new ATOM 0 HG12 ILE A 415 -5.674 -0.283 13.214 1.00 45.33 H new ATOM 0 HG13 ILE A 415 -4.331 -1.406 13.128 1.00 45.33 H new ATOM 0 HG21 ILE A 415 -5.187 1.065 10.457 1.00 11.11 H new ATOM 0 HG22 ILE A 415 -6.074 -0.091 9.435 1.00 11.11 H new ATOM 0 HG23 ILE A 415 -6.796 0.490 10.954 1.00 11.11 H new ATOM 0 HD11 ILE A 415 -3.529 0.884 13.618 1.00 63.04 H new ATOM 0 HD12 ILE A 415 -2.925 0.339 12.035 1.00 63.04 H new ATOM 0 HD13 ILE A 415 -4.289 1.478 12.122 1.00 63.04 H new ATOM 1062 N LYS A 416 -6.892 -2.495 8.974 1.00 44.22 N ATOM 1063 CA LYS A 416 -6.978 -3.160 7.685 1.00 62.30 C ATOM 1064 C LYS A 416 -6.494 -2.207 6.590 1.00 31.13 C ATOM 1065 O LYS A 416 -5.780 -2.617 5.676 1.00 15.12 O ATOM 1066 CB LYS A 416 -8.392 -3.697 7.453 1.00 64.04 C ATOM 1067 CG LYS A 416 -9.034 -4.139 8.769 1.00 25.22 C ATOM 1068 CD LYS A 416 -8.340 -5.384 9.327 1.00 44.52 C ATOM 1069 CE LYS A 416 -9.292 -6.193 10.210 1.00 44.22 C ATOM 1070 NZ LYS A 416 -10.020 -7.197 9.402 1.00 23.04 N ATOM 0 H LYS A 416 -7.456 -1.649 9.056 1.00 44.22 H new ATOM 0 HA LYS A 416 -6.323 -4.031 7.661 1.00 62.30 H new ATOM 0 HB2 LYS A 416 -9.005 -2.926 6.986 1.00 64.04 H new ATOM 0 HB3 LYS A 416 -8.356 -4.539 6.761 1.00 64.04 H new ATOM 0 HG2 LYS A 416 -8.976 -3.329 9.496 1.00 25.22 H new ATOM 0 HG3 LYS A 416 -10.092 -4.349 8.609 1.00 25.22 H new ATOM 0 HD2 LYS A 416 -7.984 -6.005 8.505 1.00 44.52 H new ATOM 0 HD3 LYS A 416 -7.465 -5.088 9.905 1.00 44.52 H new ATOM 0 HE2 LYS A 416 -8.730 -6.691 11.000 1.00 44.22 H new ATOM 0 HE3 LYS A 416 -10.002 -5.525 10.697 1.00 44.22 H new ATOM 0 HZ1 LYS A 416 -10.662 -7.738 10.016 1.00 23.04 H new ATOM 0 HZ2 LYS A 416 -10.571 -6.715 8.664 1.00 23.04 H new ATOM 0 HZ3 LYS A 416 -9.339 -7.845 8.957 1.00 23.04 H new ATOM 1083 N GLY A 417 -6.902 -0.953 6.719 1.00 32.24 N ATOM 1084 CA GLY A 417 -6.519 0.062 5.752 1.00 34.34 C ATOM 1085 C GLY A 417 -5.716 1.180 6.420 1.00 73.10 C ATOM 1086 O GLY A 417 -6.151 1.750 7.420 1.00 71.34 O ATOM 0 H GLY A 417 -7.494 -0.617 7.479 1.00 32.24 H new ATOM 0 HA2 GLY A 417 -5.926 -0.392 4.958 1.00 34.34 H new ATOM 0 HA3 GLY A 417 -7.411 0.479 5.285 1.00 34.34 H new ATOM 1090 N THR A 418 -4.558 1.460 5.840 1.00 14.43 N ATOM 1091 CA THR A 418 -3.691 2.500 6.367 1.00 45.24 C ATOM 1092 C THR A 418 -2.802 3.065 5.257 1.00 42.32 C ATOM 1093 O THR A 418 -2.091 2.319 4.585 1.00 32.02 O ATOM 1094 CB THR A 418 -2.901 1.910 7.536 1.00 24.32 C ATOM 1095 OG1 THR A 418 -2.276 0.754 6.985 1.00 64.03 O ATOM 1096 CG2 THR A 418 -3.809 1.354 8.635 1.00 61.42 C ATOM 0 H THR A 418 -4.200 0.985 5.011 1.00 14.43 H new ATOM 0 HA THR A 418 -4.269 3.345 6.741 1.00 45.24 H new ATOM 0 HB THR A 418 -2.249 2.676 7.956 1.00 24.32 H new ATOM 0 HG1 THR A 418 -1.952 0.956 6.083 1.00 64.03 H new ATOM 0 HG21 THR A 418 -3.198 0.947 9.441 1.00 61.42 H new ATOM 0 HG22 THR A 418 -4.439 2.153 9.025 1.00 61.42 H new ATOM 0 HG23 THR A 418 -4.438 0.565 8.223 1.00 61.42 H new ATOM 1104 N GLU A 419 -2.871 4.379 5.099 1.00 62.15 N ATOM 1105 CA GLU A 419 -2.081 5.053 4.082 1.00 73.33 C ATOM 1106 C GLU A 419 -1.853 6.515 4.470 1.00 64.14 C ATOM 1107 O GLU A 419 -2.667 7.108 5.175 1.00 52.54 O ATOM 1108 CB GLU A 419 -2.750 4.948 2.710 1.00 63.45 C ATOM 1109 CG GLU A 419 -4.188 5.468 2.759 1.00 44.33 C ATOM 1110 CD GLU A 419 -5.126 4.430 3.378 1.00 42.14 C ATOM 1111 OE1 GLU A 419 -5.201 3.293 2.889 1.00 52.14 O ATOM 1112 OE2 GLU A 419 -5.791 4.840 4.404 1.00 21.33 O ATOM 0 H GLU A 419 -3.462 4.995 5.658 1.00 62.15 H new ATOM 0 HA GLU A 419 -1.111 4.559 4.016 1.00 73.33 H new ATOM 0 HB2 GLU A 419 -2.178 5.519 1.978 1.00 63.45 H new ATOM 0 HB3 GLU A 419 -2.746 3.910 2.378 1.00 63.45 H new ATOM 0 HG2 GLU A 419 -4.226 6.389 3.340 1.00 44.33 H new ATOM 0 HG3 GLU A 419 -4.525 5.712 1.751 1.00 44.33 H new ATOM 1120 N PRO A 420 -0.711 7.068 3.980 1.00 62.24 N ATOM 1121 CA PRO A 420 -0.365 8.449 4.268 1.00 42.34 C ATOM 1122 C PRO A 420 -1.225 9.413 3.447 1.00 63.42 C ATOM 1123 O PRO A 420 -0.956 9.640 2.268 1.00 30.32 O ATOM 1124 CB PRO A 420 1.118 8.558 3.950 1.00 54.04 C ATOM 1125 CG PRO A 420 1.441 7.369 3.060 1.00 43.14 C ATOM 1126 CD PRO A 420 0.277 6.395 3.141 1.00 3.14 C ATOM 0 HA PRO A 420 -0.558 8.723 5.305 1.00 42.34 H new ATOM 0 HB2 PRO A 420 1.341 9.497 3.444 1.00 54.04 H new ATOM 0 HB3 PRO A 420 1.716 8.538 4.861 1.00 54.04 H new ATOM 0 HG2 PRO A 420 1.596 7.694 2.031 1.00 43.14 H new ATOM 0 HG3 PRO A 420 2.364 6.889 3.385 1.00 43.14 H new ATOM 0 HD2 PRO A 420 -0.126 6.176 2.152 1.00 3.14 H new ATOM 0 HD3 PRO A 420 0.585 5.445 3.577 1.00 3.14 H new ATOM 1134 N ILE A 421 -2.241 9.953 4.102 1.00 11.25 N ATOM 1135 CA ILE A 421 -3.142 10.887 3.448 1.00 20.13 C ATOM 1136 C ILE A 421 -2.871 12.300 3.969 1.00 62.04 C ATOM 1137 O ILE A 421 -2.117 12.480 4.924 1.00 71.51 O ATOM 1138 CB ILE A 421 -4.595 10.438 3.617 1.00 23.43 C ATOM 1139 CG1 ILE A 421 -5.129 10.817 5.000 1.00 24.11 C ATOM 1140 CG2 ILE A 421 -4.742 8.941 3.337 1.00 63.40 C ATOM 1141 CD1 ILE A 421 -5.586 12.277 5.030 1.00 71.43 C ATOM 0 H ILE A 421 -2.461 9.762 5.079 1.00 11.25 H new ATOM 0 HA ILE A 421 -2.960 10.902 2.373 1.00 20.13 H new ATOM 0 HB ILE A 421 -5.203 10.965 2.882 1.00 23.43 H new ATOM 0 HG12 ILE A 421 -5.963 10.166 5.263 1.00 24.11 H new ATOM 0 HG13 ILE A 421 -4.353 10.660 5.749 1.00 24.11 H new ATOM 0 HG21 ILE A 421 -5.784 8.648 3.464 1.00 63.40 H new ATOM 0 HG22 ILE A 421 -4.428 8.729 2.315 1.00 63.40 H new ATOM 0 HG23 ILE A 421 -4.119 8.378 4.032 1.00 63.40 H new ATOM 0 HD11 ILE A 421 -5.961 12.521 6.024 1.00 71.43 H new ATOM 0 HD12 ILE A 421 -4.744 12.927 4.790 1.00 71.43 H new ATOM 0 HD13 ILE A 421 -6.379 12.425 4.297 1.00 71.43 H new ATOM 1153 N ILE A 422 -3.500 13.267 3.317 1.00 32.12 N ATOM 1154 CA ILE A 422 -3.336 14.658 3.702 1.00 13.41 C ATOM 1155 C ILE A 422 -4.702 15.248 4.061 1.00 23.13 C ATOM 1156 O ILE A 422 -5.545 15.448 3.188 1.00 4.01 O ATOM 1157 CB ILE A 422 -2.600 15.434 2.608 1.00 73.13 C ATOM 1158 CG1 ILE A 422 -1.091 15.193 2.685 1.00 34.40 C ATOM 1159 CG2 ILE A 422 -2.946 16.923 2.664 1.00 53.21 C ATOM 1160 CD1 ILE A 422 -0.544 15.577 4.061 1.00 35.03 C ATOM 0 H ILE A 422 -4.124 13.114 2.525 1.00 32.12 H new ATOM 0 HA ILE A 422 -2.711 14.735 4.591 1.00 13.41 H new ATOM 0 HB ILE A 422 -2.937 15.062 1.640 1.00 73.13 H new ATOM 0 HG12 ILE A 422 -0.876 14.143 2.484 1.00 34.40 H new ATOM 0 HG13 ILE A 422 -0.586 15.775 1.914 1.00 34.40 H new ATOM 0 HG21 ILE A 422 -2.409 17.451 1.876 1.00 53.21 H new ATOM 0 HG22 ILE A 422 -4.019 17.053 2.522 1.00 53.21 H new ATOM 0 HG23 ILE A 422 -2.656 17.328 3.634 1.00 53.21 H new ATOM 0 HD11 ILE A 422 0.530 15.396 4.089 1.00 35.03 H new ATOM 0 HD12 ILE A 422 -0.739 16.633 4.248 1.00 35.03 H new ATOM 0 HD13 ILE A 422 -1.033 14.976 4.828 1.00 35.03 H new ATOM 1172 N VAL A 423 -4.878 15.509 5.348 1.00 3.42 N ATOM 1173 CA VAL A 423 -6.126 16.072 5.834 1.00 74.03 C ATOM 1174 C VAL A 423 -6.181 17.560 5.482 1.00 10.12 C ATOM 1175 O VAL A 423 -5.174 18.260 5.572 1.00 2.34 O ATOM 1176 CB VAL A 423 -6.272 15.806 7.333 1.00 10.24 C ATOM 1177 CG1 VAL A 423 -7.735 15.913 7.770 1.00 45.14 C ATOM 1178 CG2 VAL A 423 -5.686 14.443 7.708 1.00 11.41 C ATOM 0 H VAL A 423 -4.177 15.341 6.069 1.00 3.42 H new ATOM 0 HA VAL A 423 -6.976 15.592 5.349 1.00 74.03 H new ATOM 0 HB VAL A 423 -5.707 16.571 7.865 1.00 10.24 H new ATOM 0 HG11 VAL A 423 -7.810 15.719 8.840 1.00 45.14 H new ATOM 0 HG12 VAL A 423 -8.106 16.915 7.556 1.00 45.14 H new ATOM 0 HG13 VAL A 423 -8.332 15.181 7.226 1.00 45.14 H new ATOM 0 HG21 VAL A 423 -5.803 14.279 8.779 1.00 11.41 H new ATOM 0 HG22 VAL A 423 -6.210 13.659 7.162 1.00 11.41 H new ATOM 0 HG23 VAL A 423 -4.627 14.419 7.451 1.00 11.41 H new ATOM 1188 N ASP A 424 -7.368 17.999 5.089 1.00 45.22 N ATOM 1189 CA ASP A 424 -7.567 19.391 4.723 1.00 3.43 C ATOM 1190 C ASP A 424 -8.791 19.937 5.460 1.00 13.43 C ATOM 1191 O ASP A 424 -9.772 19.222 5.657 1.00 72.11 O ATOM 1192 CB ASP A 424 -7.816 19.536 3.221 1.00 41.12 C ATOM 1193 CG ASP A 424 -6.601 19.257 2.334 1.00 4.20 C ATOM 1194 OD1 ASP A 424 -5.573 19.946 2.423 1.00 55.10 O ATOM 1195 OD2 ASP A 424 -6.740 18.272 1.513 1.00 64.01 O ATOM 0 H ASP A 424 -8.201 17.415 5.016 1.00 45.22 H new ATOM 0 HA ASP A 424 -6.667 19.943 4.994 1.00 3.43 H new ATOM 0 HB2 ASP A 424 -8.620 18.858 2.934 1.00 41.12 H new ATOM 0 HB3 ASP A 424 -8.167 20.549 3.022 1.00 41.12 H new ATOM 1201 N PRO A 425 -8.692 21.234 5.858 1.00 4.14 N ATOM 1202 CA PRO A 425 -9.779 21.884 6.569 1.00 11.34 C ATOM 1203 C PRO A 425 -10.928 22.228 5.619 1.00 44.32 C ATOM 1204 O PRO A 425 -10.756 22.212 4.401 1.00 72.31 O ATOM 1205 CB PRO A 425 -9.152 23.111 7.211 1.00 23.03 C ATOM 1206 CG PRO A 425 -7.853 23.356 6.460 1.00 11.22 C ATOM 1207 CD PRO A 425 -7.545 22.112 5.643 1.00 13.10 C ATOM 0 HA PRO A 425 -10.230 21.241 7.325 1.00 11.34 H new ATOM 0 HB2 PRO A 425 -9.815 23.973 7.136 1.00 23.03 H new ATOM 0 HB3 PRO A 425 -8.965 22.944 8.272 1.00 23.03 H new ATOM 0 HG2 PRO A 425 -7.946 24.226 5.810 1.00 11.22 H new ATOM 0 HG3 PRO A 425 -7.042 23.565 7.158 1.00 11.22 H new ATOM 0 HD2 PRO A 425 -7.423 22.352 4.587 1.00 13.10 H new ATOM 0 HD3 PRO A 425 -6.619 21.641 5.972 1.00 13.10 H new ATOM 1215 N PHE A 426 -12.073 22.532 6.211 1.00 0.24 N ATOM 1216 CA PHE A 426 -13.249 22.880 5.433 1.00 74.24 C ATOM 1217 C PHE A 426 -13.101 24.267 4.805 1.00 52.23 C ATOM 1218 O PHE A 426 -12.160 24.996 5.116 1.00 71.45 O ATOM 1219 CB PHE A 426 -14.437 22.894 6.398 1.00 65.04 C ATOM 1220 CG PHE A 426 -15.639 23.693 5.893 1.00 54.43 C ATOM 1221 CD1 PHE A 426 -16.488 23.144 4.983 1.00 64.13 C ATOM 1222 CD2 PHE A 426 -15.860 24.954 6.354 1.00 74.40 C ATOM 1223 CE1 PHE A 426 -17.604 23.886 4.514 1.00 30.21 C ATOM 1224 CE2 PHE A 426 -16.977 25.696 5.885 1.00 22.54 C ATOM 1225 CZ PHE A 426 -17.825 25.146 4.975 1.00 11.04 C ATOM 0 H PHE A 426 -12.211 22.545 7.221 1.00 0.24 H new ATOM 0 HA PHE A 426 -13.388 22.159 4.627 1.00 74.24 H new ATOM 0 HB2 PHE A 426 -14.750 21.867 6.588 1.00 65.04 H new ATOM 0 HB3 PHE A 426 -14.112 23.310 7.352 1.00 65.04 H new ATOM 0 HD1 PHE A 426 -16.313 22.143 4.617 1.00 64.13 H new ATOM 0 HD2 PHE A 426 -15.186 25.391 7.076 1.00 74.40 H new ATOM 0 HE1 PHE A 426 -18.277 23.450 3.791 1.00 30.21 H new ATOM 0 HE2 PHE A 426 -17.153 26.697 6.251 1.00 22.54 H new ATOM 0 HZ PHE A 426 -18.674 25.710 4.618 1.00 11.04 H new TER 1235 PHE A 426 HETATM 1236 ZN ZN A1373 -0.187 12.147 17.891 1.00 32.53 ZN HETATM 1237 ZN ZN A1388 -9.083 3.575 15.789 1.00 31.34 ZN