USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 281 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 391 HIS HD1 : A 391 HIS ND1 : A 403 ZNZN :(H bumps) USER MOD Set 1.1: A 371 THR OG1 : rot -160:sc= 1.06 USER MOD Set 1.2: A 374 THR OG1 : rot -152:sc= 1.24 USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 366 LYS NZ :NH3+ 164:sc= -0.0513 (180deg=-0.326) USER MOD Single : A 368 ASN : amide:sc= 0.035 X(o=0.035,f=0) USER MOD Single : A 369 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 378 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 384 TYR OH : rot 24:sc= 0.213 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 395 THR OG1 : rot 180:sc= 0 USER MOD Single : A 400 THR OG1 : rot 180:sc= 0.0269 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 -13.555 2.656 21.847 1.00 10.97 N ATOM 2 CA GLY A 364 -12.442 2.940 20.911 1.00 10.49 C ATOM 3 C GLY A 364 -12.764 2.488 19.504 1.00 9.66 C ATOM 4 O GLY A 364 -13.766 1.803 19.290 1.00 9.60 O ATOM 0 HA2 GLY A 364 -12.231 4.009 20.910 1.00 10.49 H new ATOM 0 HA3 GLY A 364 -11.539 2.437 21.257 1.00 10.49 H new ATOM 10 N SER A 365 -11.910 2.867 18.550 1.00 9.23 N ATOM 11 CA SER A 365 -12.124 2.561 17.139 1.00 8.58 C ATOM 12 C SER A 365 -13.464 3.123 16.671 1.00 8.19 C ATOM 13 O SER A 365 -14.407 2.377 16.416 1.00 8.25 O ATOM 14 CB SER A 365 -12.059 1.049 16.898 1.00 8.72 C ATOM 15 OG SER A 365 -10.819 0.519 17.337 1.00 9.06 O ATOM 0 H SER A 365 -11.055 3.392 18.736 1.00 9.23 H new ATOM 0 HA SER A 365 -11.330 3.032 16.559 1.00 8.58 H new ATOM 0 HB2 SER A 365 -12.876 0.557 17.426 1.00 8.72 H new ATOM 0 HB3 SER A 365 -12.193 0.840 15.837 1.00 8.72 H new ATOM 0 HG SER A 365 -10.801 -0.447 17.175 1.00 9.06 H new ATOM 21 N LYS A 366 -13.536 4.445 16.570 1.00 8.06 N ATOM 22 CA LYS A 366 -14.773 5.120 16.191 1.00 8.04 C ATOM 23 C LYS A 366 -15.227 4.702 14.795 1.00 7.21 C ATOM 24 O LYS A 366 -16.199 3.963 14.644 1.00 7.19 O ATOM 25 CB LYS A 366 -14.586 6.640 16.242 1.00 9.14 C ATOM 26 CG LYS A 366 -14.397 7.197 17.644 1.00 9.84 C ATOM 27 CD LYS A 366 -15.643 7.002 18.492 1.00 10.55 C ATOM 28 CE LYS A 366 -15.531 7.716 19.829 1.00 11.43 C ATOM 29 NZ LYS A 366 -15.430 9.191 19.670 1.00 12.01 N ATOM 0 H LYS A 366 -12.751 5.072 16.745 1.00 8.06 H new ATOM 0 HA LYS A 366 -15.544 4.827 16.904 1.00 8.04 H new ATOM 0 HB2 LYS A 366 -13.721 6.909 15.636 1.00 9.14 H new ATOM 0 HB3 LYS A 366 -15.454 7.117 15.787 1.00 9.14 H new ATOM 0 HG2 LYS A 366 -13.550 6.705 18.121 1.00 9.84 H new ATOM 0 HG3 LYS A 366 -14.157 8.259 17.586 1.00 9.84 H new ATOM 0 HD2 LYS A 366 -16.513 7.376 17.952 1.00 10.55 H new ATOM 0 HD3 LYS A 366 -15.805 5.937 18.661 1.00 10.55 H new ATOM 0 HE2 LYS A 366 -16.401 7.477 20.441 1.00 11.43 H new ATOM 0 HE3 LYS A 366 -14.655 7.349 20.363 1.00 11.43 H new ATOM 0 HZ1 LYS A 366 -15.627 9.653 20.581 1.00 12.01 H new ATOM 0 HZ2 LYS A 366 -14.471 9.441 19.355 1.00 12.01 H new ATOM 0 HZ3 LYS A 366 -16.122 9.512 18.963 1.00 12.01 H new ATOM 43 N GLU A 367 -14.505 5.155 13.784 1.00 6.82 N ATOM 44 CA GLU A 367 -14.870 4.883 12.403 1.00 6.33 C ATOM 45 C GLU A 367 -13.839 3.978 11.746 1.00 5.49 C ATOM 46 O GLU A 367 -13.418 4.209 10.609 1.00 5.33 O ATOM 47 CB GLU A 367 -15.011 6.194 11.627 1.00 6.67 C ATOM 48 CG GLU A 367 -16.218 7.018 12.047 1.00 7.76 C ATOM 49 CD GLU A 367 -17.531 6.366 11.663 1.00 8.29 C ATOM 50 OE1 GLU A 367 -18.028 5.503 12.419 1.00 8.52 O ATOM 51 OE2 GLU A 367 -18.084 6.728 10.605 1.00 8.69 O ATOM 0 H GLU A 367 -13.660 5.715 13.894 1.00 6.82 H new ATOM 0 HA GLU A 367 -15.830 4.368 12.391 1.00 6.33 H new ATOM 0 HB2 GLU A 367 -14.108 6.789 11.766 1.00 6.67 H new ATOM 0 HB3 GLU A 367 -15.085 5.971 10.563 1.00 6.67 H new ATOM 0 HG2 GLU A 367 -16.193 7.168 13.126 1.00 7.76 H new ATOM 0 HG3 GLU A 367 -16.158 8.004 11.587 1.00 7.76 H new ATOM 58 N ASN A 368 -13.436 2.948 12.474 1.00 5.31 N ATOM 59 CA ASN A 368 -12.448 1.998 11.981 1.00 4.94 C ATOM 60 C ASN A 368 -13.122 0.958 11.092 1.00 4.43 C ATOM 61 O ASN A 368 -13.548 -0.095 11.565 1.00 4.57 O ATOM 62 CB ASN A 368 -11.747 1.312 13.159 1.00 5.52 C ATOM 63 CG ASN A 368 -10.571 0.456 12.731 1.00 5.70 C ATOM 64 OD1 ASN A 368 -9.434 0.927 12.675 1.00 5.80 O ATOM 65 ND2 ASN A 368 -10.826 -0.806 12.433 1.00 6.18 N ATOM 0 H ASN A 368 -13.779 2.747 13.413 1.00 5.31 H new ATOM 0 HA ASN A 368 -11.703 2.534 11.392 1.00 4.94 H new ATOM 0 HB2 ASN A 368 -11.401 2.071 13.861 1.00 5.52 H new ATOM 0 HB3 ASN A 368 -12.467 0.691 13.691 1.00 5.52 H new ATOM 0 HD21 ASN A 368 -10.068 -1.425 12.145 1.00 6.18 H new ATOM 0 HD22 ASN A 368 -11.781 -1.161 12.491 1.00 6.18 H new ATOM 72 N MET A 369 -13.230 1.263 9.809 1.00 4.24 N ATOM 73 CA MET A 369 -13.873 0.359 8.864 1.00 4.21 C ATOM 74 C MET A 369 -12.849 -0.235 7.907 1.00 3.73 C ATOM 75 O MET A 369 -13.189 -1.057 7.053 1.00 3.81 O ATOM 76 CB MET A 369 -14.962 1.091 8.076 1.00 4.95 C ATOM 77 CG MET A 369 -16.093 1.621 8.943 1.00 5.74 C ATOM 78 SD MET A 369 -17.378 2.439 7.978 1.00 6.64 S ATOM 79 CE MET A 369 -18.505 2.942 9.276 1.00 6.99 C ATOM 0 H MET A 369 -12.882 2.128 9.396 1.00 4.24 H new ATOM 0 HA MET A 369 -14.333 -0.451 9.430 1.00 4.21 H new ATOM 0 HB2 MET A 369 -14.510 1.923 7.536 1.00 4.95 H new ATOM 0 HB3 MET A 369 -15.376 0.413 7.329 1.00 4.95 H new ATOM 0 HG2 MET A 369 -16.534 0.797 9.504 1.00 5.74 H new ATOM 0 HG3 MET A 369 -15.689 2.323 9.673 1.00 5.74 H new ATOM 0 HE1 MET A 369 -19.356 3.464 8.837 1.00 6.99 H new ATOM 0 HE2 MET A 369 -18.857 2.062 9.814 1.00 6.99 H new ATOM 0 HE3 MET A 369 -17.989 3.607 9.968 1.00 6.99 H new ATOM 89 N ALA A 370 -11.599 0.189 8.057 1.00 3.73 N ATOM 90 CA ALA A 370 -10.514 -0.284 7.207 1.00 3.72 C ATOM 91 C ALA A 370 -10.330 -1.788 7.340 1.00 2.82 C ATOM 92 O ALA A 370 -10.110 -2.300 8.439 1.00 3.04 O ATOM 93 CB ALA A 370 -9.219 0.430 7.557 1.00 4.68 C ATOM 0 H ALA A 370 -11.311 0.864 8.765 1.00 3.73 H new ATOM 0 HA ALA A 370 -10.776 -0.061 6.173 1.00 3.72 H new ATOM 0 HB1 ALA A 370 -8.418 0.066 6.914 1.00 4.68 H new ATOM 0 HB2 ALA A 370 -9.344 1.503 7.410 1.00 4.68 H new ATOM 0 HB3 ALA A 370 -8.965 0.234 8.599 1.00 4.68 H new ATOM 99 N THR A 371 -10.433 -2.488 6.225 1.00 2.51 N ATOM 100 CA THR A 371 -10.261 -3.927 6.204 1.00 2.38 C ATOM 101 C THR A 371 -8.811 -4.305 6.493 1.00 2.34 C ATOM 102 O THR A 371 -7.895 -3.870 5.795 1.00 2.92 O ATOM 103 CB THR A 371 -10.711 -4.501 4.857 1.00 3.20 C ATOM 104 OG1 THR A 371 -10.128 -3.751 3.782 1.00 3.73 O ATOM 105 CG2 THR A 371 -12.227 -4.467 4.743 1.00 3.91 C ATOM 0 H THR A 371 -10.637 -2.077 5.314 1.00 2.51 H new ATOM 0 HA THR A 371 -10.885 -4.357 6.988 1.00 2.38 H new ATOM 0 HB THR A 371 -10.377 -5.537 4.795 1.00 3.20 H new ATOM 0 HG1 THR A 371 -10.644 -3.900 2.962 1.00 3.73 H new ATOM 0 HG21 THR A 371 -12.529 -4.879 3.780 1.00 3.91 H new ATOM 0 HG22 THR A 371 -12.666 -5.061 5.545 1.00 3.91 H new ATOM 0 HG23 THR A 371 -12.575 -3.437 4.822 1.00 3.91 H new ATOM 113 N LEU A 372 -8.619 -5.111 7.529 1.00 2.45 N ATOM 114 CA LEU A 372 -7.293 -5.423 8.059 1.00 3.23 C ATOM 115 C LEU A 372 -6.406 -6.092 7.005 1.00 3.17 C ATOM 116 O LEU A 372 -6.589 -7.265 6.681 1.00 3.84 O ATOM 117 CB LEU A 372 -7.444 -6.319 9.301 1.00 4.21 C ATOM 118 CG LEU A 372 -6.237 -6.399 10.253 1.00 5.23 C ATOM 119 CD1 LEU A 372 -5.127 -7.267 9.680 1.00 5.79 C ATOM 120 CD2 LEU A 372 -5.712 -5.006 10.573 1.00 5.95 C ATOM 0 H LEU A 372 -9.380 -5.570 8.029 1.00 2.45 H new ATOM 0 HA LEU A 372 -6.801 -4.492 8.341 1.00 3.23 H new ATOM 0 HB2 LEU A 372 -8.303 -5.966 9.871 1.00 4.21 H new ATOM 0 HB3 LEU A 372 -7.678 -7.329 8.964 1.00 4.21 H new ATOM 0 HG LEU A 372 -6.579 -6.865 11.177 1.00 5.23 H new ATOM 0 HD11 LEU A 372 -4.292 -7.299 10.380 1.00 5.79 H new ATOM 0 HD12 LEU A 372 -5.503 -8.277 9.516 1.00 5.79 H new ATOM 0 HD13 LEU A 372 -4.790 -6.847 8.732 1.00 5.79 H new ATOM 0 HD21 LEU A 372 -4.859 -5.085 11.247 1.00 5.95 H new ATOM 0 HD22 LEU A 372 -5.402 -4.513 9.651 1.00 5.95 H new ATOM 0 HD23 LEU A 372 -6.499 -4.421 11.050 1.00 5.95 H new ATOM 132 N PHE A 373 -5.448 -5.316 6.483 1.00 2.73 N ATOM 133 CA PHE A 373 -4.444 -5.808 5.533 1.00 2.88 C ATOM 134 C PHE A 373 -5.087 -6.415 4.292 1.00 3.00 C ATOM 135 O PHE A 373 -5.181 -7.635 4.155 1.00 3.30 O ATOM 136 CB PHE A 373 -3.512 -6.824 6.203 1.00 3.13 C ATOM 137 CG PHE A 373 -2.459 -6.201 7.081 1.00 3.28 C ATOM 138 CD1 PHE A 373 -2.806 -5.317 8.090 1.00 3.81 C ATOM 139 CD2 PHE A 373 -1.121 -6.499 6.891 1.00 3.36 C ATOM 140 CE1 PHE A 373 -1.839 -4.744 8.892 1.00 4.26 C ATOM 141 CE2 PHE A 373 -0.149 -5.930 7.690 1.00 3.64 C ATOM 142 CZ PHE A 373 -0.508 -5.052 8.691 1.00 4.05 C ATOM 0 H PHE A 373 -5.348 -4.326 6.709 1.00 2.73 H new ATOM 0 HA PHE A 373 -3.854 -4.949 5.213 1.00 2.88 H new ATOM 0 HB2 PHE A 373 -4.110 -7.511 6.802 1.00 3.13 H new ATOM 0 HB3 PHE A 373 -3.022 -7.417 5.431 1.00 3.13 H new ATOM 0 HD1 PHE A 373 -3.846 -5.073 8.251 1.00 3.81 H new ATOM 0 HD2 PHE A 373 -0.833 -7.185 6.108 1.00 3.36 H new ATOM 0 HE1 PHE A 373 -2.123 -4.056 9.675 1.00 4.26 H new ATOM 0 HE2 PHE A 373 0.891 -6.172 7.531 1.00 3.64 H new ATOM 0 HZ PHE A 373 0.251 -4.606 9.317 1.00 4.05 H new ATOM 152 N THR A 374 -5.520 -5.558 3.382 1.00 3.03 N ATOM 153 CA THR A 374 -6.167 -6.007 2.163 1.00 3.49 C ATOM 154 C THR A 374 -5.498 -5.424 0.925 1.00 3.30 C ATOM 155 O THR A 374 -5.346 -6.103 -0.092 1.00 3.66 O ATOM 156 CB THR A 374 -7.653 -5.627 2.168 1.00 3.95 C ATOM 157 OG1 THR A 374 -7.800 -4.249 2.543 1.00 3.66 O ATOM 158 CG2 THR A 374 -8.419 -6.515 3.132 1.00 4.50 C ATOM 0 H THR A 374 -5.434 -4.545 3.466 1.00 3.03 H new ATOM 0 HA THR A 374 -6.070 -7.092 2.128 1.00 3.49 H new ATOM 0 HB THR A 374 -8.059 -5.770 1.166 1.00 3.95 H new ATOM 0 HG1 THR A 374 -8.670 -4.118 2.974 1.00 3.66 H new ATOM 0 HG21 THR A 374 -9.472 -6.235 3.126 1.00 4.50 H new ATOM 0 HG22 THR A 374 -8.319 -7.556 2.826 1.00 4.50 H new ATOM 0 HG23 THR A 374 -8.017 -6.392 4.138 1.00 4.50 H new ATOM 166 N ILE A 375 -5.096 -4.168 1.018 1.00 2.90 N ATOM 167 CA ILE A 375 -4.451 -3.498 -0.095 1.00 2.78 C ATOM 168 C ILE A 375 -2.960 -3.798 -0.091 1.00 2.33 C ATOM 169 O ILE A 375 -2.207 -3.280 0.733 1.00 1.93 O ATOM 170 CB ILE A 375 -4.694 -1.976 -0.045 1.00 2.85 C ATOM 171 CG1 ILE A 375 -6.199 -1.697 -0.101 1.00 3.47 C ATOM 172 CG2 ILE A 375 -3.972 -1.276 -1.189 1.00 2.84 C ATOM 173 CD1 ILE A 375 -6.559 -0.229 -0.070 1.00 3.98 C ATOM 0 H ILE A 375 -5.205 -3.593 1.853 1.00 2.90 H new ATOM 0 HA ILE A 375 -4.887 -3.876 -1.020 1.00 2.78 H new ATOM 0 HB ILE A 375 -4.294 -1.583 0.890 1.00 2.85 H new ATOM 0 HG12 ILE A 375 -6.606 -2.140 -1.010 1.00 3.47 H new ATOM 0 HG13 ILE A 375 -6.681 -2.196 0.740 1.00 3.47 H new ATOM 0 HG21 ILE A 375 -4.157 -0.203 -1.134 1.00 2.84 H new ATOM 0 HG22 ILE A 375 -2.901 -1.464 -1.112 1.00 2.84 H new ATOM 0 HG23 ILE A 375 -4.340 -1.660 -2.141 1.00 2.84 H new ATOM 0 HD11 ILE A 375 -7.643 -0.119 -0.113 1.00 3.98 H new ATOM 0 HD12 ILE A 375 -6.185 0.218 0.851 1.00 3.98 H new ATOM 0 HD13 ILE A 375 -6.109 0.274 -0.926 1.00 3.98 H new ATOM 185 N TRP A 376 -2.549 -4.658 -1.005 1.00 2.60 N ATOM 186 CA TRP A 376 -1.169 -5.088 -1.081 1.00 2.50 C ATOM 187 C TRP A 376 -0.346 -4.090 -1.881 1.00 2.39 C ATOM 188 O TRP A 376 -0.461 -4.016 -3.107 1.00 2.84 O ATOM 189 CB TRP A 376 -1.077 -6.478 -1.719 1.00 3.11 C ATOM 190 CG TRP A 376 0.304 -7.064 -1.700 1.00 3.27 C ATOM 191 CD1 TRP A 376 1.296 -6.858 -2.615 1.00 3.53 C ATOM 192 CD2 TRP A 376 0.838 -7.964 -0.723 1.00 3.38 C ATOM 193 NE1 TRP A 376 2.418 -7.565 -2.261 1.00 3.79 N ATOM 194 CE2 TRP A 376 2.161 -8.256 -1.106 1.00 3.72 C ATOM 195 CE3 TRP A 376 0.329 -8.550 0.438 1.00 3.35 C ATOM 196 CZ2 TRP A 376 2.979 -9.106 -0.368 1.00 4.05 C ATOM 197 CZ3 TRP A 376 1.140 -9.395 1.169 1.00 3.67 C ATOM 198 CH2 TRP A 376 2.454 -9.667 0.765 1.00 4.01 C ATOM 0 H TRP A 376 -3.158 -5.074 -1.709 1.00 2.60 H new ATOM 0 HA TRP A 376 -0.768 -5.140 -0.069 1.00 2.50 H new ATOM 0 HB2 TRP A 376 -1.755 -7.153 -1.196 1.00 3.11 H new ATOM 0 HB3 TRP A 376 -1.421 -6.417 -2.751 1.00 3.11 H new ATOM 0 HD1 TRP A 376 1.210 -6.230 -3.490 1.00 3.53 H new ATOM 0 HE1 TRP A 376 3.299 -7.574 -2.774 1.00 3.79 H new ATOM 0 HE3 TRP A 376 -0.682 -8.346 0.759 1.00 3.35 H new ATOM 0 HZ2 TRP A 376 3.992 -9.316 -0.678 1.00 4.05 H new ATOM 0 HZ3 TRP A 376 0.755 -9.854 2.068 1.00 3.67 H new ATOM 0 HH2 TRP A 376 3.064 -10.332 1.359 1.00 4.01 H new ATOM 209 N CYS A 377 0.478 -3.317 -1.193 1.00 1.89 N ATOM 210 CA CYS A 377 1.392 -2.432 -1.876 1.00 1.87 C ATOM 211 C CYS A 377 2.579 -3.237 -2.364 1.00 2.35 C ATOM 212 O CYS A 377 3.444 -3.626 -1.578 1.00 2.34 O ATOM 213 CB CYS A 377 1.874 -1.288 -0.979 1.00 1.27 C ATOM 214 SG CYS A 377 3.051 -0.197 -1.813 1.00 1.50 S ATOM 0 H CYS A 377 0.529 -3.287 -0.175 1.00 1.89 H new ATOM 0 HA CYS A 377 0.862 -1.980 -2.714 1.00 1.87 H new ATOM 0 HB2 CYS A 377 1.015 -0.704 -0.648 1.00 1.27 H new ATOM 0 HB3 CYS A 377 2.340 -1.704 -0.086 1.00 1.27 H new ATOM 219 N THR A 378 2.602 -3.498 -3.659 1.00 2.94 N ATOM 220 CA THR A 378 3.661 -4.278 -4.276 1.00 3.52 C ATOM 221 C THR A 378 5.018 -3.618 -4.065 1.00 3.48 C ATOM 222 O THR A 378 6.042 -4.292 -3.946 1.00 3.86 O ATOM 223 CB THR A 378 3.388 -4.445 -5.778 1.00 4.16 C ATOM 224 OG1 THR A 378 2.984 -3.187 -6.338 1.00 4.33 O ATOM 225 CG2 THR A 378 2.301 -5.481 -6.016 1.00 4.41 C ATOM 0 H THR A 378 1.888 -3.176 -4.312 1.00 2.94 H new ATOM 0 HA THR A 378 3.679 -5.260 -3.803 1.00 3.52 H new ATOM 0 HB THR A 378 4.304 -4.785 -6.261 1.00 4.16 H new ATOM 0 HG1 THR A 378 2.812 -3.296 -7.297 1.00 4.33 H new ATOM 0 HG21 THR A 378 2.124 -5.583 -7.087 1.00 4.41 H new ATOM 0 HG22 THR A 378 2.617 -6.441 -5.607 1.00 4.41 H new ATOM 0 HG23 THR A 378 1.381 -5.163 -5.525 1.00 4.41 H new ATOM 233 N LEU A 379 5.004 -2.294 -3.976 1.00 3.11 N ATOM 234 CA LEU A 379 6.220 -1.520 -3.790 1.00 3.12 C ATOM 235 C LEU A 379 6.720 -1.615 -2.351 1.00 2.90 C ATOM 236 O LEU A 379 7.839 -1.212 -2.047 1.00 3.23 O ATOM 237 CB LEU A 379 5.969 -0.061 -4.169 1.00 2.85 C ATOM 238 CG LEU A 379 5.474 0.154 -5.601 1.00 3.33 C ATOM 239 CD1 LEU A 379 5.165 1.615 -5.847 1.00 3.73 C ATOM 240 CD2 LEU A 379 6.503 -0.328 -6.605 1.00 3.32 C ATOM 0 H LEU A 379 4.155 -1.732 -4.030 1.00 3.11 H new ATOM 0 HA LEU A 379 6.992 -1.933 -4.440 1.00 3.12 H new ATOM 0 HB2 LEU A 379 5.236 0.358 -3.479 1.00 2.85 H new ATOM 0 HB3 LEU A 379 6.893 0.500 -4.031 1.00 2.85 H new ATOM 0 HG LEU A 379 4.560 -0.427 -5.728 1.00 3.33 H new ATOM 0 HD11 LEU A 379 4.815 1.745 -6.871 1.00 3.73 H new ATOM 0 HD12 LEU A 379 4.391 1.945 -5.154 1.00 3.73 H new ATOM 0 HD13 LEU A 379 6.066 2.208 -5.694 1.00 3.73 H new ATOM 0 HD21 LEU A 379 6.129 -0.165 -7.616 1.00 3.32 H new ATOM 0 HD22 LEU A 379 7.432 0.225 -6.468 1.00 3.32 H new ATOM 0 HD23 LEU A 379 6.689 -1.391 -6.454 1.00 3.32 H new ATOM 252 N CYS A 380 5.886 -2.150 -1.467 1.00 2.49 N ATOM 253 CA CYS A 380 6.277 -2.348 -0.078 1.00 2.51 C ATOM 254 C CYS A 380 6.320 -3.829 0.291 1.00 2.94 C ATOM 255 O CYS A 380 6.784 -4.196 1.369 1.00 3.19 O ATOM 256 CB CYS A 380 5.330 -1.607 0.867 1.00 1.96 C ATOM 257 SG CYS A 380 5.605 0.174 0.940 1.00 1.82 S ATOM 0 H CYS A 380 4.937 -2.453 -1.687 1.00 2.49 H new ATOM 0 HA CYS A 380 7.282 -1.940 0.032 1.00 2.51 H new ATOM 0 HB2 CYS A 380 4.303 -1.792 0.553 1.00 1.96 H new ATOM 0 HB3 CYS A 380 5.437 -2.021 1.869 1.00 1.96 H new ATOM 262 N ASP A 381 5.819 -4.668 -0.618 1.00 3.16 N ATOM 263 CA ASP A 381 5.790 -6.121 -0.423 1.00 3.64 C ATOM 264 C ASP A 381 4.992 -6.481 0.834 1.00 3.40 C ATOM 265 O ASP A 381 5.314 -7.424 1.551 1.00 3.81 O ATOM 266 CB ASP A 381 7.222 -6.679 -0.346 1.00 4.29 C ATOM 267 CG ASP A 381 7.278 -8.196 -0.368 1.00 4.85 C ATOM 268 OD1 ASP A 381 6.997 -8.791 -1.430 1.00 5.79 O ATOM 269 OD2 ASP A 381 7.609 -8.803 0.672 1.00 4.47 O ATOM 0 H ASP A 381 5.423 -4.362 -1.507 1.00 3.16 H new ATOM 0 HA ASP A 381 5.292 -6.577 -1.279 1.00 3.64 H new ATOM 0 HB2 ASP A 381 7.802 -6.289 -1.182 1.00 4.29 H new ATOM 0 HB3 ASP A 381 7.696 -6.318 0.567 1.00 4.29 H new ATOM 274 N ARG A 382 3.936 -5.723 1.094 1.00 2.80 N ATOM 275 CA ARG A 382 3.129 -5.928 2.293 1.00 2.63 C ATOM 276 C ARG A 382 1.747 -5.325 2.100 1.00 2.07 C ATOM 277 O ARG A 382 1.556 -4.447 1.254 1.00 1.71 O ATOM 278 CB ARG A 382 3.819 -5.303 3.509 1.00 2.81 C ATOM 279 CG ARG A 382 3.849 -3.784 3.487 1.00 2.50 C ATOM 280 CD ARG A 382 4.890 -3.235 4.449 1.00 2.97 C ATOM 281 NE ARG A 382 6.249 -3.548 4.013 1.00 3.24 N ATOM 282 CZ ARG A 382 7.331 -2.862 4.374 1.00 3.71 C ATOM 283 NH1 ARG A 382 7.226 -1.839 5.214 1.00 3.88 N ATOM 284 NH2 ARG A 382 8.519 -3.199 3.890 1.00 4.27 N ATOM 0 H ARG A 382 3.617 -4.962 0.494 1.00 2.80 H new ATOM 0 HA ARG A 382 3.022 -6.999 2.468 1.00 2.63 H new ATOM 0 HB2 ARG A 382 3.309 -5.633 4.414 1.00 2.81 H new ATOM 0 HB3 ARG A 382 4.842 -5.676 3.566 1.00 2.81 H new ATOM 0 HG2 ARG A 382 4.067 -3.438 2.477 1.00 2.50 H new ATOM 0 HG3 ARG A 382 2.866 -3.395 3.752 1.00 2.50 H new ATOM 0 HD2 ARG A 382 4.775 -2.154 4.532 1.00 2.97 H new ATOM 0 HD3 ARG A 382 4.722 -3.651 5.443 1.00 2.97 H new ATOM 0 HE ARG A 382 6.377 -4.346 3.390 1.00 3.24 H new ATOM 0 HH11 ARG A 382 6.313 -1.576 5.586 1.00 3.88 H new ATOM 0 HH12 ARG A 382 8.058 -1.316 5.488 1.00 3.88 H new ATOM 0 HH21 ARG A 382 8.602 -3.983 3.242 1.00 4.27 H new ATOM 0 HH22 ARG A 382 9.349 -2.675 4.165 1.00 4.27 H new ATOM 298 N ALA A 383 0.790 -5.793 2.884 1.00 2.12 N ATOM 299 CA ALA A 383 -0.581 -5.326 2.772 1.00 1.86 C ATOM 300 C ALA A 383 -0.880 -4.241 3.792 1.00 1.87 C ATOM 301 O ALA A 383 -0.292 -4.202 4.872 1.00 2.20 O ATOM 302 CB ALA A 383 -1.551 -6.484 2.938 1.00 2.24 C ATOM 0 H ALA A 383 0.938 -6.498 3.606 1.00 2.12 H new ATOM 0 HA ALA A 383 -0.707 -4.898 1.777 1.00 1.86 H new ATOM 0 HB1 ALA A 383 -2.574 -6.117 2.851 1.00 2.24 H new ATOM 0 HB2 ALA A 383 -1.366 -7.228 2.163 1.00 2.24 H new ATOM 0 HB3 ALA A 383 -1.410 -6.939 3.919 1.00 2.24 H new ATOM 308 N TYR A 384 -1.790 -3.358 3.430 1.00 1.86 N ATOM 309 CA TYR A 384 -2.250 -2.306 4.317 1.00 2.28 C ATOM 310 C TYR A 384 -3.768 -2.386 4.457 1.00 2.69 C ATOM 311 O TYR A 384 -4.456 -2.846 3.541 1.00 2.63 O ATOM 312 CB TYR A 384 -1.853 -0.932 3.764 1.00 2.27 C ATOM 313 CG TYR A 384 -0.369 -0.640 3.800 1.00 2.04 C ATOM 314 CD1 TYR A 384 0.476 -1.088 2.792 1.00 2.15 C ATOM 315 CD2 TYR A 384 0.185 0.100 4.838 1.00 2.37 C ATOM 316 CE1 TYR A 384 1.829 -0.811 2.822 1.00 2.34 C ATOM 317 CE2 TYR A 384 1.536 0.382 4.873 1.00 2.31 C ATOM 318 CZ TYR A 384 2.353 -0.076 3.863 1.00 2.17 C ATOM 319 OH TYR A 384 3.702 0.203 3.892 1.00 2.46 O ATOM 0 H TYR A 384 -2.232 -3.349 2.511 1.00 1.86 H new ATOM 0 HA TYR A 384 -1.785 -2.438 5.294 1.00 2.28 H new ATOM 0 HB2 TYR A 384 -2.199 -0.857 2.733 1.00 2.27 H new ATOM 0 HB3 TYR A 384 -2.375 -0.162 4.333 1.00 2.27 H new ATOM 0 HD1 TYR A 384 0.069 -1.662 1.973 1.00 2.15 H new ATOM 0 HD2 TYR A 384 -0.453 0.461 5.631 1.00 2.37 H new ATOM 0 HE1 TYR A 384 2.473 -1.169 2.033 1.00 2.34 H new ATOM 0 HE2 TYR A 384 1.950 0.958 5.687 1.00 2.31 H new ATOM 0 HH TYR A 384 4.064 0.164 2.982 1.00 2.46 H new ATOM 329 N PRO A 385 -4.310 -1.983 5.621 1.00 3.25 N ATOM 330 CA PRO A 385 -5.760 -1.903 5.831 1.00 3.72 C ATOM 331 C PRO A 385 -6.392 -0.797 4.991 1.00 3.86 C ATOM 332 O PRO A 385 -7.605 -0.768 4.786 1.00 4.19 O ATOM 333 CB PRO A 385 -5.906 -1.591 7.326 1.00 4.33 C ATOM 334 CG PRO A 385 -4.564 -1.863 7.922 1.00 4.36 C ATOM 335 CD PRO A 385 -3.566 -1.604 6.831 1.00 3.62 C ATOM 0 HA PRO A 385 -6.264 -2.823 5.535 1.00 3.72 H new ATOM 0 HB2 PRO A 385 -6.203 -0.554 7.484 1.00 4.33 H new ATOM 0 HB3 PRO A 385 -6.673 -2.215 7.784 1.00 4.33 H new ATOM 0 HG2 PRO A 385 -4.380 -1.217 8.780 1.00 4.36 H new ATOM 0 HG3 PRO A 385 -4.496 -2.891 8.277 1.00 4.36 H new ATOM 0 HD2 PRO A 385 -3.255 -0.560 6.805 1.00 3.62 H new ATOM 0 HD3 PRO A 385 -2.664 -2.202 6.956 1.00 3.62 H new ATOM 343 N SER A 386 -5.560 0.117 4.525 1.00 3.73 N ATOM 344 CA SER A 386 -5.985 1.166 3.618 1.00 3.96 C ATOM 345 C SER A 386 -4.949 1.311 2.508 1.00 3.45 C ATOM 346 O SER A 386 -4.139 0.409 2.307 1.00 2.87 O ATOM 347 CB SER A 386 -6.161 2.482 4.379 1.00 4.60 C ATOM 348 OG SER A 386 -7.090 2.327 5.441 1.00 5.22 O ATOM 0 H SER A 386 -4.569 0.152 4.766 1.00 3.73 H new ATOM 0 HA SER A 386 -6.946 0.906 3.175 1.00 3.96 H new ATOM 0 HB2 SER A 386 -5.200 2.810 4.775 1.00 4.60 H new ATOM 0 HB3 SER A 386 -6.507 3.259 3.697 1.00 4.60 H new ATOM 0 HG SER A 386 -7.188 3.178 5.917 1.00 5.22 H new ATOM 354 N ASP A 387 -4.975 2.417 1.782 1.00 3.74 N ATOM 355 CA ASP A 387 -3.988 2.647 0.734 1.00 3.41 C ATOM 356 C ASP A 387 -2.640 2.968 1.357 1.00 3.00 C ATOM 357 O ASP A 387 -2.573 3.593 2.419 1.00 3.29 O ATOM 358 CB ASP A 387 -4.421 3.788 -0.188 1.00 3.99 C ATOM 359 CG ASP A 387 -5.653 3.443 -0.998 1.00 4.53 C ATOM 360 OD1 ASP A 387 -5.528 2.664 -1.966 1.00 4.59 O ATOM 361 OD2 ASP A 387 -6.750 3.939 -0.666 1.00 5.09 O ATOM 0 H ASP A 387 -5.660 3.164 1.895 1.00 3.74 H new ATOM 0 HA ASP A 387 -3.905 1.739 0.137 1.00 3.41 H new ATOM 0 HB2 ASP A 387 -4.620 4.678 0.409 1.00 3.99 H new ATOM 0 HB3 ASP A 387 -3.603 4.035 -0.864 1.00 3.99 H new ATOM 366 N CYS A 388 -1.569 2.529 0.708 1.00 2.47 N ATOM 367 CA CYS A 388 -0.231 2.778 1.211 1.00 2.15 C ATOM 368 C CYS A 388 0.021 4.278 1.279 1.00 2.66 C ATOM 369 O CYS A 388 -0.106 4.978 0.275 1.00 2.92 O ATOM 370 CB CYS A 388 0.832 2.102 0.341 1.00 1.60 C ATOM 371 SG CYS A 388 2.499 2.258 1.022 1.00 1.51 S ATOM 0 H CYS A 388 -1.604 2.001 -0.164 1.00 2.47 H new ATOM 0 HA CYS A 388 -0.159 2.350 2.211 1.00 2.15 H new ATOM 0 HB2 CYS A 388 0.587 1.046 0.231 1.00 1.60 H new ATOM 0 HB3 CYS A 388 0.810 2.540 -0.657 1.00 1.60 H new ATOM 376 N PRO A 389 0.397 4.779 2.464 1.00 2.96 N ATOM 377 CA PRO A 389 0.514 6.222 2.730 1.00 3.57 C ATOM 378 C PRO A 389 1.553 6.928 1.859 1.00 3.52 C ATOM 379 O PRO A 389 1.601 8.154 1.819 1.00 4.04 O ATOM 380 CB PRO A 389 0.934 6.279 4.204 1.00 3.90 C ATOM 381 CG PRO A 389 1.516 4.941 4.494 1.00 3.60 C ATOM 382 CD PRO A 389 0.743 3.976 3.649 1.00 2.92 C ATOM 0 HA PRO A 389 -0.420 6.736 2.505 1.00 3.57 H new ATOM 0 HB2 PRO A 389 1.663 7.071 4.376 1.00 3.90 H new ATOM 0 HB3 PRO A 389 0.080 6.486 4.849 1.00 3.90 H new ATOM 0 HG2 PRO A 389 2.578 4.914 4.249 1.00 3.60 H new ATOM 0 HG3 PRO A 389 1.426 4.695 5.552 1.00 3.60 H new ATOM 0 HD2 PRO A 389 1.339 3.103 3.385 1.00 2.92 H new ATOM 0 HD3 PRO A 389 -0.146 3.611 4.163 1.00 2.92 H new ATOM 390 N GLU A 390 2.378 6.159 1.164 1.00 3.00 N ATOM 391 CA GLU A 390 3.444 6.734 0.362 1.00 3.02 C ATOM 392 C GLU A 390 3.403 6.249 -1.089 1.00 2.79 C ATOM 393 O GLU A 390 4.230 6.662 -1.904 1.00 3.12 O ATOM 394 CB GLU A 390 4.793 6.393 0.990 1.00 2.87 C ATOM 395 CG GLU A 390 4.965 4.915 1.299 1.00 3.42 C ATOM 396 CD GLU A 390 6.224 4.631 2.086 1.00 3.53 C ATOM 397 OE1 GLU A 390 7.305 4.515 1.474 1.00 3.63 O ATOM 398 OE2 GLU A 390 6.139 4.521 3.326 1.00 3.98 O ATOM 0 H GLU A 390 2.329 5.140 1.140 1.00 3.00 H new ATOM 0 HA GLU A 390 3.302 7.815 0.344 1.00 3.02 H new ATOM 0 HB2 GLU A 390 5.589 6.709 0.315 1.00 2.87 H new ATOM 0 HB3 GLU A 390 4.910 6.964 1.911 1.00 2.87 H new ATOM 0 HG2 GLU A 390 4.101 4.562 1.862 1.00 3.42 H new ATOM 0 HG3 GLU A 390 4.989 4.352 0.366 1.00 3.42 H new ATOM 405 N HIS A 391 2.445 5.390 -1.421 1.00 2.46 N ATOM 406 CA HIS A 391 2.404 4.795 -2.759 1.00 2.55 C ATOM 407 C HIS A 391 0.991 4.720 -3.326 1.00 2.98 C ATOM 408 O HIS A 391 0.813 4.656 -4.542 1.00 3.51 O ATOM 409 CB HIS A 391 3.010 3.387 -2.747 1.00 2.20 C ATOM 410 CG HIS A 391 4.480 3.358 -2.466 1.00 2.05 C ATOM 411 ND1 HIS A 391 4.990 2.683 -1.386 1.00 1.77 N ATOM 412 CD2 HIS A 391 5.497 3.927 -3.154 1.00 2.40 C ATOM 413 CE1 HIS A 391 6.299 2.857 -1.440 1.00 2.10 C ATOM 414 NE2 HIS A 391 6.653 3.605 -2.494 1.00 2.43 N ATOM 0 H HIS A 391 1.696 5.092 -0.796 1.00 2.46 H new ATOM 0 HA HIS A 391 2.992 5.451 -3.401 1.00 2.55 H new ATOM 0 HB2 HIS A 391 2.495 2.788 -1.996 1.00 2.20 H new ATOM 0 HB3 HIS A 391 2.826 2.915 -3.712 1.00 2.20 H new ATOM 0 HD2 HIS A 391 5.413 4.521 -4.052 1.00 2.40 H new ATOM 0 HE1 HIS A 391 6.996 2.448 -0.724 1.00 2.10 H new ATOM 0 HE2 HIS A 391 7.600 3.881 -2.754 1.00 2.43 H new ATOM 422 N GLY A 392 -0.008 4.720 -2.453 1.00 2.94 N ATOM 423 CA GLY A 392 -1.372 4.528 -2.899 1.00 3.41 C ATOM 424 C GLY A 392 -2.112 5.835 -3.101 1.00 3.36 C ATOM 425 O GLY A 392 -1.558 6.906 -2.849 1.00 3.30 O ATOM 0 H GLY A 392 0.102 4.849 -1.447 1.00 2.94 H new ATOM 0 HA2 GLY A 392 -1.368 3.969 -3.835 1.00 3.41 H new ATOM 0 HA3 GLY A 392 -1.907 3.922 -2.168 1.00 3.41 H new ATOM 429 N PRO A 393 -3.373 5.772 -3.566 1.00 3.77 N ATOM 430 CA PRO A 393 -4.211 6.955 -3.784 1.00 4.00 C ATOM 431 C PRO A 393 -4.647 7.630 -2.486 1.00 3.65 C ATOM 432 O PRO A 393 -5.834 7.695 -2.156 1.00 3.97 O ATOM 433 CB PRO A 393 -5.432 6.415 -4.537 1.00 4.78 C ATOM 434 CG PRO A 393 -5.070 5.030 -4.954 1.00 5.05 C ATOM 435 CD PRO A 393 -4.072 4.541 -3.949 1.00 4.39 C ATOM 0 HA PRO A 393 -3.663 7.724 -4.329 1.00 4.00 H new ATOM 0 HB2 PRO A 393 -6.316 6.413 -3.899 1.00 4.78 H new ATOM 0 HB3 PRO A 393 -5.664 7.036 -5.402 1.00 4.78 H new ATOM 0 HG2 PRO A 393 -5.950 4.387 -4.974 1.00 5.05 H new ATOM 0 HG3 PRO A 393 -4.647 5.023 -5.958 1.00 5.05 H new ATOM 0 HD2 PRO A 393 -4.556 4.067 -3.095 1.00 4.39 H new ATOM 0 HD3 PRO A 393 -3.392 3.805 -4.378 1.00 4.39 H new ATOM 443 N VAL A 394 -3.666 8.121 -1.763 1.00 3.51 N ATOM 444 CA VAL A 394 -3.881 8.903 -0.555 1.00 3.72 C ATOM 445 C VAL A 394 -2.846 10.029 -0.520 1.00 3.98 C ATOM 446 O VAL A 394 -2.723 10.784 0.449 1.00 4.76 O ATOM 447 CB VAL A 394 -3.779 8.016 0.713 1.00 4.22 C ATOM 448 CG1 VAL A 394 -2.359 7.509 0.912 1.00 4.46 C ATOM 449 CG2 VAL A 394 -4.275 8.755 1.951 1.00 4.69 C ATOM 0 H VAL A 394 -2.682 7.990 -1.996 1.00 3.51 H new ATOM 0 HA VAL A 394 -4.886 9.325 -0.567 1.00 3.72 H new ATOM 0 HB VAL A 394 -4.427 7.152 0.564 1.00 4.22 H new ATOM 0 HG11 VAL A 394 -2.316 6.890 1.808 1.00 4.46 H new ATOM 0 HG12 VAL A 394 -2.059 6.917 0.047 1.00 4.46 H new ATOM 0 HG13 VAL A 394 -1.682 8.356 1.024 1.00 4.46 H new ATOM 0 HG21 VAL A 394 -4.190 8.105 2.822 1.00 4.69 H new ATOM 0 HG22 VAL A 394 -3.673 9.650 2.106 1.00 4.69 H new ATOM 0 HG23 VAL A 394 -5.318 9.039 1.811 1.00 4.69 H new ATOM 459 N THR A 395 -2.116 10.129 -1.622 1.00 3.71 N ATOM 460 CA THR A 395 -1.069 11.114 -1.793 1.00 4.37 C ATOM 461 C THR A 395 -0.694 11.170 -3.272 1.00 4.14 C ATOM 462 O THR A 395 -0.779 10.152 -3.962 1.00 4.55 O ATOM 463 CB THR A 395 0.176 10.779 -0.931 1.00 4.99 C ATOM 464 OG1 THR A 395 1.220 11.730 -1.168 1.00 5.13 O ATOM 465 CG2 THR A 395 0.687 9.374 -1.219 1.00 5.72 C ATOM 0 H THR A 395 -2.239 9.519 -2.430 1.00 3.71 H new ATOM 0 HA THR A 395 -1.436 12.085 -1.460 1.00 4.37 H new ATOM 0 HB THR A 395 -0.125 10.828 0.115 1.00 4.99 H new ATOM 0 HG1 THR A 395 1.998 11.506 -0.616 1.00 5.13 H new ATOM 0 HG21 THR A 395 1.560 9.170 -0.599 1.00 5.72 H new ATOM 0 HG22 THR A 395 -0.095 8.649 -0.994 1.00 5.72 H new ATOM 0 HG23 THR A 395 0.963 9.296 -2.271 1.00 5.72 H new ATOM 473 N PHE A 396 -0.318 12.364 -3.749 1.00 3.97 N ATOM 474 CA PHE A 396 0.007 12.619 -5.167 1.00 4.15 C ATOM 475 C PHE A 396 -1.041 12.021 -6.120 1.00 4.04 C ATOM 476 O PHE A 396 -2.148 11.665 -5.709 1.00 4.16 O ATOM 477 CB PHE A 396 1.440 12.146 -5.525 1.00 4.81 C ATOM 478 CG PHE A 396 1.715 10.666 -5.385 1.00 5.16 C ATOM 479 CD1 PHE A 396 1.322 9.780 -6.376 1.00 5.38 C ATOM 480 CD2 PHE A 396 2.343 10.162 -4.255 1.00 5.72 C ATOM 481 CE1 PHE A 396 1.559 8.423 -6.247 1.00 6.07 C ATOM 482 CE2 PHE A 396 2.578 8.808 -4.121 1.00 6.40 C ATOM 483 CZ PHE A 396 2.256 7.948 -5.135 1.00 6.54 C ATOM 0 H PHE A 396 -0.229 13.191 -3.159 1.00 3.97 H new ATOM 0 HA PHE A 396 -0.021 13.700 -5.304 1.00 4.15 H new ATOM 0 HB2 PHE A 396 1.648 12.436 -6.555 1.00 4.81 H new ATOM 0 HB3 PHE A 396 2.146 12.686 -4.893 1.00 4.81 H new ATOM 0 HD1 PHE A 396 0.825 10.153 -7.259 1.00 5.38 H new ATOM 0 HD2 PHE A 396 2.652 10.837 -3.471 1.00 5.72 H new ATOM 0 HE1 PHE A 396 1.207 7.736 -7.002 1.00 6.07 H new ATOM 0 HE2 PHE A 396 3.018 8.426 -3.212 1.00 6.40 H new ATOM 0 HZ PHE A 396 2.539 6.908 -5.075 1.00 6.54 H new ATOM 493 N VAL A 397 -0.714 11.972 -7.404 1.00 4.36 N ATOM 494 CA VAL A 397 -1.594 11.357 -8.385 1.00 4.90 C ATOM 495 C VAL A 397 -1.005 10.032 -8.866 1.00 5.50 C ATOM 496 O VAL A 397 0.015 10.001 -9.558 1.00 5.82 O ATOM 497 CB VAL A 397 -1.880 12.296 -9.582 1.00 5.50 C ATOM 498 CG1 VAL A 397 -0.593 12.842 -10.183 1.00 5.77 C ATOM 499 CG2 VAL A 397 -2.703 11.579 -10.641 1.00 6.17 C ATOM 0 H VAL A 397 0.152 12.350 -7.789 1.00 4.36 H new ATOM 0 HA VAL A 397 -2.549 11.165 -7.895 1.00 4.90 H new ATOM 0 HB VAL A 397 -2.456 13.142 -9.208 1.00 5.50 H new ATOM 0 HG11 VAL A 397 -0.832 13.497 -11.021 1.00 5.77 H new ATOM 0 HG12 VAL A 397 -0.048 13.406 -9.426 1.00 5.77 H new ATOM 0 HG13 VAL A 397 0.024 12.015 -10.534 1.00 5.77 H new ATOM 0 HG21 VAL A 397 -2.893 12.256 -11.474 1.00 6.17 H new ATOM 0 HG22 VAL A 397 -2.155 10.708 -11.000 1.00 6.17 H new ATOM 0 HG23 VAL A 397 -3.651 11.259 -10.210 1.00 6.17 H new ATOM 509 N PRO A 398 -1.628 8.913 -8.468 1.00 5.97 N ATOM 510 CA PRO A 398 -1.165 7.579 -8.833 1.00 6.86 C ATOM 511 C PRO A 398 -1.674 7.141 -10.204 1.00 7.67 C ATOM 512 O PRO A 398 -2.374 6.133 -10.332 1.00 8.36 O ATOM 513 CB PRO A 398 -1.754 6.709 -7.728 1.00 7.35 C ATOM 514 CG PRO A 398 -3.031 7.387 -7.355 1.00 6.95 C ATOM 515 CD PRO A 398 -2.833 8.859 -7.617 1.00 6.01 C ATOM 0 HA PRO A 398 -0.080 7.519 -8.913 1.00 6.86 H new ATOM 0 HB2 PRO A 398 -1.932 5.692 -8.077 1.00 7.35 H new ATOM 0 HB3 PRO A 398 -1.078 6.640 -6.876 1.00 7.35 H new ATOM 0 HG2 PRO A 398 -3.862 6.998 -7.943 1.00 6.95 H new ATOM 0 HG3 PRO A 398 -3.272 7.209 -6.307 1.00 6.95 H new ATOM 0 HD2 PRO A 398 -3.696 9.294 -8.120 1.00 6.01 H new ATOM 0 HD3 PRO A 398 -2.691 9.414 -6.689 1.00 6.01 H new ATOM 523 N ASP A 399 -1.314 7.905 -11.227 1.00 7.83 N ATOM 524 CA ASP A 399 -1.710 7.594 -12.597 1.00 8.78 C ATOM 525 C ASP A 399 -0.692 6.656 -13.238 1.00 9.15 C ATOM 526 O ASP A 399 -0.742 6.389 -14.440 1.00 9.38 O ATOM 527 CB ASP A 399 -1.846 8.873 -13.434 1.00 9.18 C ATOM 528 CG ASP A 399 -0.520 9.570 -13.679 1.00 9.69 C ATOM 529 OD1 ASP A 399 -0.055 10.314 -12.789 1.00 9.49 O ATOM 530 OD2 ASP A 399 0.064 9.386 -14.769 1.00 10.47 O ATOM 0 H ASP A 399 -0.747 8.748 -11.135 1.00 7.83 H new ATOM 0 HA ASP A 399 -2.681 7.101 -12.566 1.00 8.78 H new ATOM 0 HB2 ASP A 399 -2.302 8.626 -14.393 1.00 9.18 H new ATOM 0 HB3 ASP A 399 -2.523 9.561 -12.927 1.00 9.18 H new ATOM 535 N THR A 400 0.224 6.163 -12.415 1.00 9.46 N ATOM 536 CA THR A 400 1.262 5.249 -12.857 1.00 10.09 C ATOM 537 C THR A 400 0.651 3.966 -13.426 1.00 10.99 C ATOM 538 O THR A 400 -0.224 3.363 -12.800 1.00 11.20 O ATOM 539 CB THR A 400 2.188 4.893 -11.680 1.00 10.16 C ATOM 540 OG1 THR A 400 2.417 6.059 -10.879 1.00 9.95 O ATOM 541 CG2 THR A 400 3.521 4.352 -12.174 1.00 10.17 C ATOM 0 H THR A 400 0.266 6.388 -11.421 1.00 9.46 H new ATOM 0 HA THR A 400 1.837 5.743 -13.640 1.00 10.09 H new ATOM 0 HB THR A 400 1.701 4.120 -11.085 1.00 10.16 H new ATOM 0 HG1 THR A 400 3.005 5.830 -10.129 1.00 9.95 H new ATOM 0 HG21 THR A 400 4.154 4.109 -11.320 1.00 10.17 H new ATOM 0 HG22 THR A 400 3.352 3.453 -12.767 1.00 10.17 H new ATOM 0 HG23 THR A 400 4.014 5.105 -12.789 1.00 10.17 H new ATOM 549 N PRO A 401 1.078 3.543 -14.632 1.00 11.70 N ATOM 550 CA PRO A 401 0.580 2.317 -15.266 1.00 12.73 C ATOM 551 C PRO A 401 1.078 1.046 -14.575 1.00 13.37 C ATOM 552 O PRO A 401 1.891 0.302 -15.131 1.00 13.87 O ATOM 553 CB PRO A 401 1.129 2.387 -16.701 1.00 13.30 C ATOM 554 CG PRO A 401 1.673 3.766 -16.863 1.00 12.82 C ATOM 555 CD PRO A 401 2.055 4.231 -15.488 1.00 11.73 C ATOM 0 HA PRO A 401 -0.507 2.263 -15.214 1.00 12.73 H new ATOM 0 HB2 PRO A 401 1.906 1.639 -16.859 1.00 13.30 H new ATOM 0 HB3 PRO A 401 0.343 2.189 -17.430 1.00 13.30 H new ATOM 0 HG2 PRO A 401 2.536 3.768 -17.528 1.00 12.82 H new ATOM 0 HG3 PRO A 401 0.929 4.428 -17.305 1.00 12.82 H new ATOM 0 HD2 PRO A 401 3.079 3.955 -15.237 1.00 11.73 H new ATOM 0 HD3 PRO A 401 1.985 5.315 -15.393 1.00 11.73 H new ATOM 563 N ILE A 402 0.604 0.809 -13.358 1.00 13.49 N ATOM 564 CA ILE A 402 0.925 -0.408 -12.629 1.00 14.27 C ATOM 565 C ILE A 402 -0.031 -0.590 -11.446 1.00 14.82 C ATOM 566 O ILE A 402 -0.936 -1.443 -11.549 1.00 15.17 O ATOM 567 CB ILE A 402 2.409 -0.438 -12.163 1.00 14.27 C ATOM 568 CG1 ILE A 402 2.708 -1.722 -11.379 1.00 14.67 C ATOM 569 CG2 ILE A 402 2.766 0.793 -11.338 1.00 14.20 C ATOM 570 CD1 ILE A 402 2.564 -2.986 -12.202 1.00 15.06 C ATOM 571 OXT ILE A 402 0.088 0.143 -10.441 1.00 15.02 O ATOM 0 H ILE A 402 -0.008 1.450 -12.854 1.00 13.49 H new ATOM 0 HA ILE A 402 0.794 -1.246 -13.314 1.00 14.27 H new ATOM 0 HB ILE A 402 3.032 -0.426 -13.057 1.00 14.27 H new ATOM 0 HG12 ILE A 402 3.723 -1.669 -10.986 1.00 14.67 H new ATOM 0 HG13 ILE A 402 2.037 -1.779 -10.522 1.00 14.67 H new ATOM 0 HG21 ILE A 402 3.810 0.735 -11.031 1.00 14.20 H new ATOM 0 HG22 ILE A 402 2.613 1.690 -11.938 1.00 14.20 H new ATOM 0 HG23 ILE A 402 2.130 0.835 -10.454 1.00 14.20 H new ATOM 0 HD11 ILE A 402 2.791 -3.852 -11.581 1.00 15.06 H new ATOM 0 HD12 ILE A 402 1.542 -3.064 -12.574 1.00 15.06 H new ATOM 0 HD13 ILE A 402 3.255 -2.952 -13.044 1.00 15.06 H new TER 583 ILE A 402 HETATM 584 ZN ZN A 403 4.052 1.264 -0.350 1.00 1.27 ZN