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 Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 366 LYS NZ :NH3+ -138:sc= -0.672 (180deg=-3.68!) USER MOD Single : A 368 ASN : amide:sc= -0.458 K(o=-0.46,f=-3.5!) USER MOD Single : A 369 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 49:sc= 0.309 USER MOD Single : A 374 THR OG1 : rot 180:sc= 0.0525 USER MOD Single : A 378 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 384 TYR OH : rot 27:sc= 0.911 USER MOD Single : A 386 SER OG : rot 180:sc= 0.363 USER MOD Single : A 395 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 400 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 -7.851 -23.732 9.070 1.00 10.97 N ATOM 2 CA GLY A 364 -6.999 -24.184 10.194 1.00 10.49 C ATOM 3 C GLY A 364 -6.235 -23.040 10.818 1.00 9.66 C ATOM 4 O GLY A 364 -6.839 -22.064 11.259 1.00 9.60 O ATOM 0 HA2 GLY A 364 -7.621 -24.661 10.952 1.00 10.49 H new ATOM 0 HA3 GLY A 364 -6.297 -24.937 9.837 1.00 10.49 H new ATOM 10 N SER A 365 -4.909 -23.160 10.846 1.00 9.23 N ATOM 11 CA SER A 365 -4.028 -22.135 11.409 1.00 8.58 C ATOM 12 C SER A 365 -4.234 -21.992 12.921 1.00 8.19 C ATOM 13 O SER A 365 -5.096 -22.642 13.512 1.00 8.25 O ATOM 14 CB SER A 365 -4.250 -20.789 10.710 1.00 8.72 C ATOM 15 OG SER A 365 -4.068 -20.907 9.307 1.00 9.06 O ATOM 0 H SER A 365 -4.413 -23.972 10.478 1.00 9.23 H new ATOM 0 HA SER A 365 -2.999 -22.452 11.238 1.00 8.58 H new ATOM 0 HB2 SER A 365 -5.257 -20.428 10.920 1.00 8.72 H new ATOM 0 HB3 SER A 365 -3.556 -20.049 11.109 1.00 8.72 H new ATOM 0 HG SER A 365 -4.217 -20.036 8.883 1.00 9.06 H new ATOM 21 N LYS A 366 -3.415 -21.159 13.542 1.00 8.06 N ATOM 22 CA LYS A 366 -3.518 -20.902 14.972 1.00 8.04 C ATOM 23 C LYS A 366 -3.093 -19.466 15.257 1.00 7.21 C ATOM 24 O LYS A 366 -2.552 -19.150 16.314 1.00 7.19 O ATOM 25 CB LYS A 366 -2.641 -21.901 15.742 1.00 9.14 C ATOM 26 CG LYS A 366 -2.872 -21.924 17.250 1.00 9.84 C ATOM 27 CD LYS A 366 -4.310 -22.276 17.625 1.00 10.55 C ATOM 28 CE LYS A 366 -4.645 -23.750 17.396 1.00 11.43 C ATOM 29 NZ LYS A 366 -4.767 -24.106 15.955 1.00 12.01 N ATOM 0 H LYS A 366 -2.667 -20.646 13.076 1.00 8.06 H new ATOM 0 HA LYS A 366 -4.549 -21.031 15.301 1.00 8.04 H new ATOM 0 HB2 LYS A 366 -2.820 -22.901 15.346 1.00 9.14 H new ATOM 0 HB3 LYS A 366 -1.594 -21.665 15.552 1.00 9.14 H new ATOM 0 HG2 LYS A 366 -2.196 -22.647 17.705 1.00 9.84 H new ATOM 0 HG3 LYS A 366 -2.622 -20.948 17.666 1.00 9.84 H new ATOM 0 HD2 LYS A 366 -4.476 -22.030 18.674 1.00 10.55 H new ATOM 0 HD3 LYS A 366 -4.993 -21.659 17.041 1.00 10.55 H new ATOM 0 HE2 LYS A 366 -3.871 -24.367 17.852 1.00 11.43 H new ATOM 0 HE3 LYS A 366 -5.581 -23.986 17.903 1.00 11.43 H new ATOM 0 HZ1 LYS A 366 -5.584 -24.736 15.821 1.00 12.01 H new ATOM 0 HZ2 LYS A 366 -4.901 -23.241 15.394 1.00 12.01 H new ATOM 0 HZ3 LYS A 366 -3.901 -24.590 15.643 1.00 12.01 H new ATOM 43 N GLU A 367 -3.354 -18.598 14.297 1.00 6.82 N ATOM 44 CA GLU A 367 -2.915 -17.216 14.379 1.00 6.33 C ATOM 45 C GLU A 367 -4.105 -16.279 14.547 1.00 5.49 C ATOM 46 O GLU A 367 -4.715 -15.849 13.565 1.00 5.33 O ATOM 47 CB GLU A 367 -2.127 -16.843 13.122 1.00 6.67 C ATOM 48 CG GLU A 367 -0.861 -17.665 12.929 1.00 7.76 C ATOM 49 CD GLU A 367 0.134 -17.470 14.052 1.00 8.29 C ATOM 50 OE1 GLU A 367 0.734 -16.377 14.147 1.00 8.69 O ATOM 51 OE2 GLU A 367 0.320 -18.409 14.853 1.00 8.52 O ATOM 0 H GLU A 367 -3.870 -18.827 13.447 1.00 6.82 H new ATOM 0 HA GLU A 367 -2.270 -17.111 15.251 1.00 6.33 H new ATOM 0 HB2 GLU A 367 -2.769 -16.970 12.250 1.00 6.67 H new ATOM 0 HB3 GLU A 367 -1.861 -15.787 13.171 1.00 6.67 H new ATOM 0 HG2 GLU A 367 -1.124 -18.721 12.860 1.00 7.76 H new ATOM 0 HG3 GLU A 367 -0.394 -17.391 11.983 1.00 7.76 H new ATOM 58 N ASN A 368 -4.437 -15.979 15.793 1.00 5.31 N ATOM 59 CA ASN A 368 -5.513 -15.041 16.089 1.00 4.94 C ATOM 60 C ASN A 368 -4.961 -13.623 16.063 1.00 4.43 C ATOM 61 O ASN A 368 -4.498 -13.102 17.079 1.00 4.57 O ATOM 62 CB ASN A 368 -6.143 -15.347 17.456 1.00 5.52 C ATOM 63 CG ASN A 368 -7.405 -14.535 17.734 1.00 5.70 C ATOM 64 OD1 ASN A 368 -7.556 -13.402 17.276 1.00 5.80 O ATOM 65 ND2 ASN A 368 -8.325 -15.112 18.491 1.00 6.18 N ATOM 0 H ASN A 368 -3.978 -16.370 16.616 1.00 5.31 H new ATOM 0 HA ASN A 368 -6.292 -15.142 15.333 1.00 4.94 H new ATOM 0 HB2 ASN A 368 -6.384 -16.409 17.508 1.00 5.52 H new ATOM 0 HB3 ASN A 368 -5.411 -15.147 18.239 1.00 5.52 H new ATOM 0 HD21 ASN A 368 -9.189 -14.617 18.710 1.00 6.18 H new ATOM 0 HD22 ASN A 368 -8.170 -16.052 18.855 1.00 6.18 H new ATOM 72 N MET A 369 -4.988 -13.017 14.889 1.00 4.24 N ATOM 73 CA MET A 369 -4.451 -11.679 14.704 1.00 4.21 C ATOM 74 C MET A 369 -5.455 -10.802 13.979 1.00 3.73 C ATOM 75 O MET A 369 -6.226 -11.285 13.148 1.00 3.81 O ATOM 76 CB MET A 369 -3.147 -11.729 13.904 1.00 4.95 C ATOM 77 CG MET A 369 -1.981 -12.355 14.655 1.00 5.74 C ATOM 78 SD MET A 369 -1.538 -11.427 16.137 1.00 6.64 S ATOM 79 CE MET A 369 -0.084 -12.323 16.671 1.00 6.99 C ATOM 0 H MET A 369 -5.379 -13.433 14.044 1.00 4.24 H new ATOM 0 HA MET A 369 -4.249 -11.256 15.688 1.00 4.21 H new ATOM 0 HB2 MET A 369 -3.318 -12.291 12.986 1.00 4.95 H new ATOM 0 HB3 MET A 369 -2.874 -10.715 13.611 1.00 4.95 H new ATOM 0 HG2 MET A 369 -2.239 -13.377 14.933 1.00 5.74 H new ATOM 0 HG3 MET A 369 -1.116 -12.413 13.994 1.00 5.74 H new ATOM 0 HE1 MET A 369 0.309 -11.869 17.581 1.00 6.99 H new ATOM 0 HE2 MET A 369 -0.349 -13.362 16.869 1.00 6.99 H new ATOM 0 HE3 MET A 369 0.674 -12.285 15.889 1.00 6.99 H new ATOM 89 N ALA A 370 -5.444 -9.516 14.298 1.00 3.73 N ATOM 90 CA ALA A 370 -6.289 -8.553 13.617 1.00 3.72 C ATOM 91 C ALA A 370 -5.689 -8.215 12.261 1.00 2.82 C ATOM 92 O ALA A 370 -5.095 -7.151 12.072 1.00 3.04 O ATOM 93 CB ALA A 370 -6.458 -7.298 14.461 1.00 4.68 C ATOM 0 H ALA A 370 -4.855 -9.116 15.029 1.00 3.73 H new ATOM 0 HA ALA A 370 -7.276 -8.990 13.466 1.00 3.72 H new ATOM 0 HB1 ALA A 370 -7.095 -6.588 13.933 1.00 4.68 H new ATOM 0 HB2 ALA A 370 -6.918 -7.560 15.414 1.00 4.68 H new ATOM 0 HB3 ALA A 370 -5.482 -6.846 14.641 1.00 4.68 H new ATOM 99 N THR A 371 -5.827 -9.139 11.330 1.00 2.51 N ATOM 100 CA THR A 371 -5.247 -8.996 10.015 1.00 2.38 C ATOM 101 C THR A 371 -6.136 -8.169 9.092 1.00 2.34 C ATOM 102 O THR A 371 -7.036 -8.694 8.441 1.00 2.92 O ATOM 103 CB THR A 371 -4.982 -10.374 9.393 1.00 3.20 C ATOM 104 OG1 THR A 371 -6.166 -11.183 9.473 1.00 3.73 O ATOM 105 CG2 THR A 371 -3.835 -11.078 10.100 1.00 3.91 C ATOM 0 H THR A 371 -6.344 -10.008 11.467 1.00 2.51 H new ATOM 0 HA THR A 371 -4.301 -8.467 10.131 1.00 2.38 H new ATOM 0 HB THR A 371 -4.708 -10.229 8.348 1.00 3.20 H new ATOM 0 HG1 THR A 371 -6.934 -10.672 9.143 1.00 3.73 H new ATOM 0 HG21 THR A 371 -3.667 -12.052 9.640 1.00 3.91 H new ATOM 0 HG22 THR A 371 -2.930 -10.476 10.014 1.00 3.91 H new ATOM 0 HG23 THR A 371 -4.084 -11.212 11.153 1.00 3.91 H new ATOM 113 N LEU A 372 -5.892 -6.867 9.051 1.00 2.45 N ATOM 114 CA LEU A 372 -6.602 -5.982 8.134 1.00 3.23 C ATOM 115 C LEU A 372 -5.743 -5.711 6.906 1.00 3.17 C ATOM 116 O LEU A 372 -5.894 -4.692 6.232 1.00 3.84 O ATOM 117 CB LEU A 372 -6.978 -4.658 8.817 1.00 4.21 C ATOM 118 CG LEU A 372 -8.207 -4.696 9.739 1.00 5.23 C ATOM 119 CD1 LEU A 372 -9.430 -5.199 8.984 1.00 5.79 C ATOM 120 CD2 LEU A 372 -7.947 -5.546 10.973 1.00 5.95 C ATOM 0 H LEU A 372 -5.207 -6.398 9.643 1.00 2.45 H new ATOM 0 HA LEU A 372 -7.524 -6.477 7.829 1.00 3.23 H new ATOM 0 HB2 LEU A 372 -6.122 -4.318 9.400 1.00 4.21 H new ATOM 0 HB3 LEU A 372 -7.153 -3.911 8.043 1.00 4.21 H new ATOM 0 HG LEU A 372 -8.404 -3.678 10.074 1.00 5.23 H new ATOM 0 HD11 LEU A 372 -10.289 -5.218 9.655 1.00 5.79 H new ATOM 0 HD12 LEU A 372 -9.639 -4.534 8.146 1.00 5.79 H new ATOM 0 HD13 LEU A 372 -9.239 -6.205 8.610 1.00 5.79 H new ATOM 0 HD21 LEU A 372 -8.836 -5.552 11.604 1.00 5.95 H new ATOM 0 HD22 LEU A 372 -7.711 -6.566 10.669 1.00 5.95 H new ATOM 0 HD23 LEU A 372 -7.108 -5.130 11.531 1.00 5.95 H new ATOM 132 N PHE A 373 -4.841 -6.642 6.627 1.00 2.73 N ATOM 133 CA PHE A 373 -3.930 -6.535 5.499 1.00 2.88 C ATOM 134 C PHE A 373 -4.683 -6.771 4.192 1.00 3.00 C ATOM 135 O PHE A 373 -4.767 -7.901 3.707 1.00 3.30 O ATOM 136 CB PHE A 373 -2.798 -7.557 5.648 1.00 3.13 C ATOM 137 CG PHE A 373 -1.954 -7.373 6.882 1.00 3.28 C ATOM 138 CD1 PHE A 373 -2.366 -7.887 8.100 1.00 3.81 C ATOM 139 CD2 PHE A 373 -0.756 -6.679 6.825 1.00 3.36 C ATOM 140 CE1 PHE A 373 -1.600 -7.716 9.236 1.00 4.26 C ATOM 141 CE2 PHE A 373 0.015 -6.503 7.959 1.00 3.64 C ATOM 142 CZ PHE A 373 -0.389 -7.041 9.155 1.00 4.05 C ATOM 0 H PHE A 373 -4.721 -7.492 7.177 1.00 2.73 H new ATOM 0 HA PHE A 373 -3.503 -5.532 5.480 1.00 2.88 H new ATOM 0 HB2 PHE A 373 -3.228 -8.558 5.663 1.00 3.13 H new ATOM 0 HB3 PHE A 373 -2.154 -7.499 4.770 1.00 3.13 H new ATOM 0 HD1 PHE A 373 -3.298 -8.429 8.162 1.00 3.81 H new ATOM 0 HD2 PHE A 373 -0.420 -6.271 5.883 1.00 3.36 H new ATOM 0 HE1 PHE A 373 -1.941 -8.106 10.184 1.00 4.26 H new ATOM 0 HE2 PHE A 373 0.936 -5.942 7.904 1.00 3.64 H new ATOM 0 HZ PHE A 373 0.234 -6.940 10.032 1.00 4.05 H new ATOM 152 N THR A 374 -5.224 -5.705 3.621 1.00 3.03 N ATOM 153 CA THR A 374 -6.076 -5.825 2.451 1.00 3.49 C ATOM 154 C THR A 374 -5.381 -5.357 1.179 1.00 3.30 C ATOM 155 O THR A 374 -5.073 -6.162 0.300 1.00 3.66 O ATOM 156 CB THR A 374 -7.384 -5.041 2.652 1.00 3.95 C ATOM 157 OG1 THR A 374 -7.103 -3.735 3.176 1.00 3.66 O ATOM 158 CG2 THR A 374 -8.308 -5.785 3.600 1.00 4.50 C ATOM 0 H THR A 374 -5.087 -4.749 3.950 1.00 3.03 H new ATOM 0 HA THR A 374 -6.303 -6.884 2.332 1.00 3.49 H new ATOM 0 HB THR A 374 -7.877 -4.940 1.685 1.00 3.95 H new ATOM 0 HG1 THR A 374 -7.942 -3.244 3.299 1.00 3.66 H new ATOM 0 HG21 THR A 374 -9.229 -5.217 3.731 1.00 4.50 H new ATOM 0 HG22 THR A 374 -8.543 -6.765 3.185 1.00 4.50 H new ATOM 0 HG23 THR A 374 -7.817 -5.908 4.565 1.00 4.50 H new ATOM 166 N ILE A 375 -5.121 -4.064 1.089 1.00 2.90 N ATOM 167 CA ILE A 375 -4.529 -3.492 -0.110 1.00 2.78 C ATOM 168 C ILE A 375 -3.032 -3.754 -0.138 1.00 2.33 C ATOM 169 O ILE A 375 -2.271 -3.196 0.657 1.00 1.93 O ATOM 170 CB ILE A 375 -4.808 -1.977 -0.216 1.00 2.85 C ATOM 171 CG1 ILE A 375 -6.321 -1.727 -0.254 1.00 3.47 C ATOM 172 CG2 ILE A 375 -4.134 -1.396 -1.456 1.00 2.84 C ATOM 173 CD1 ILE A 375 -6.699 -0.268 -0.382 1.00 3.98 C ATOM 0 H ILE A 375 -5.310 -3.390 1.831 1.00 2.90 H new ATOM 0 HA ILE A 375 -4.992 -3.976 -0.970 1.00 2.78 H new ATOM 0 HB ILE A 375 -4.393 -1.478 0.660 1.00 2.85 H new ATOM 0 HG12 ILE A 375 -6.749 -2.278 -1.091 1.00 3.47 H new ATOM 0 HG13 ILE A 375 -6.769 -2.130 0.655 1.00 3.47 H new ATOM 0 HG21 ILE A 375 -4.341 -0.327 -1.516 1.00 2.84 H new ATOM 0 HG22 ILE A 375 -3.057 -1.554 -1.393 1.00 2.84 H new ATOM 0 HG23 ILE A 375 -4.522 -1.891 -2.346 1.00 2.84 H new ATOM 0 HD11 ILE A 375 -7.785 -0.174 -0.402 1.00 3.98 H new ATOM 0 HD12 ILE A 375 -6.302 0.287 0.468 1.00 3.98 H new ATOM 0 HD13 ILE A 375 -6.283 0.136 -1.305 1.00 3.98 H new ATOM 185 N TRP A 376 -2.622 -4.621 -1.050 1.00 2.60 N ATOM 186 CA TRP A 376 -1.244 -5.064 -1.125 1.00 2.50 C ATOM 187 C TRP A 376 -0.394 -4.077 -1.913 1.00 2.39 C ATOM 188 O TRP A 376 -0.479 -4.011 -3.138 1.00 2.84 O ATOM 189 CB TRP A 376 -1.172 -6.450 -1.771 1.00 3.11 C ATOM 190 CG TRP A 376 0.177 -7.090 -1.658 1.00 3.27 C ATOM 191 CD1 TRP A 376 1.248 -6.905 -2.485 1.00 3.53 C ATOM 192 CD2 TRP A 376 0.599 -8.023 -0.657 1.00 3.38 C ATOM 193 NE1 TRP A 376 2.310 -7.660 -2.056 1.00 3.79 N ATOM 194 CE2 TRP A 376 1.937 -8.356 -0.936 1.00 3.72 C ATOM 195 CE3 TRP A 376 -0.024 -8.609 0.451 1.00 3.35 C ATOM 196 CZ2 TRP A 376 2.662 -9.246 -0.149 1.00 4.05 C ATOM 197 CZ3 TRP A 376 0.697 -9.492 1.233 1.00 3.67 C ATOM 198 CH2 TRP A 376 2.029 -9.802 0.929 1.00 4.01 C ATOM 0 H TRP A 376 -3.233 -5.034 -1.754 1.00 2.60 H new ATOM 0 HA TRP A 376 -0.849 -5.120 -0.110 1.00 2.50 H new ATOM 0 HB2 TRP A 376 -1.914 -7.099 -1.305 1.00 3.11 H new ATOM 0 HB3 TRP A 376 -1.439 -6.366 -2.824 1.00 3.11 H new ATOM 0 HD1 TRP A 376 1.257 -6.259 -3.350 1.00 3.53 H new ATOM 0 HE1 TRP A 376 3.228 -7.697 -2.499 1.00 3.79 H new ATOM 0 HE3 TRP A 376 -1.051 -8.375 0.691 1.00 3.35 H new ATOM 0 HZ2 TRP A 376 3.688 -9.489 -0.381 1.00 4.05 H new ATOM 0 HZ3 TRP A 376 0.227 -9.950 2.091 1.00 3.67 H new ATOM 0 HH2 TRP A 376 2.568 -10.495 1.559 1.00 4.01 H new ATOM 209 N CYS A 377 0.425 -3.311 -1.207 1.00 1.89 N ATOM 210 CA CYS A 377 1.374 -2.432 -1.859 1.00 1.87 C ATOM 211 C CYS A 377 2.574 -3.247 -2.309 1.00 2.35 C ATOM 212 O CYS A 377 3.396 -3.653 -1.489 1.00 2.34 O ATOM 213 CB CYS A 377 1.834 -1.301 -0.927 1.00 1.27 C ATOM 214 SG CYS A 377 3.052 -0.200 -1.694 1.00 1.50 S ATOM 0 H CYS A 377 0.449 -3.283 -0.188 1.00 1.89 H new ATOM 0 HA CYS A 377 0.884 -1.973 -2.717 1.00 1.87 H new ATOM 0 HB2 CYS A 377 0.967 -0.716 -0.620 1.00 1.27 H new ATOM 0 HB3 CYS A 377 2.263 -1.734 -0.023 1.00 1.27 H new ATOM 219 N THR A 378 2.658 -3.494 -3.608 1.00 2.94 N ATOM 220 CA THR A 378 3.741 -4.282 -4.175 1.00 3.52 C ATOM 221 C THR A 378 5.091 -3.616 -3.925 1.00 3.48 C ATOM 222 O THR A 378 6.108 -4.288 -3.753 1.00 3.86 O ATOM 223 CB THR A 378 3.533 -4.487 -5.685 1.00 4.16 C ATOM 224 OG1 THR A 378 3.252 -3.227 -6.311 1.00 4.33 O ATOM 225 CG2 THR A 378 2.390 -5.453 -5.949 1.00 4.41 C ATOM 0 H THR A 378 1.983 -3.156 -4.294 1.00 2.94 H new ATOM 0 HA THR A 378 3.735 -5.254 -3.682 1.00 3.52 H new ATOM 0 HB THR A 378 4.447 -4.910 -6.103 1.00 4.16 H new ATOM 0 HG1 THR A 378 3.122 -3.361 -7.273 1.00 4.33 H new ATOM 0 HG21 THR A 378 2.263 -5.581 -7.024 1.00 4.41 H new ATOM 0 HG22 THR A 378 2.615 -6.417 -5.493 1.00 4.41 H new ATOM 0 HG23 THR A 378 1.471 -5.055 -5.520 1.00 4.41 H new ATOM 233 N LEU A 379 5.086 -2.285 -3.874 1.00 3.11 N ATOM 234 CA LEU A 379 6.294 -1.517 -3.618 1.00 3.12 C ATOM 235 C LEU A 379 6.785 -1.722 -2.188 1.00 2.90 C ATOM 236 O LEU A 379 7.948 -1.480 -1.881 1.00 3.23 O ATOM 237 CB LEU A 379 6.067 -0.025 -3.885 1.00 2.85 C ATOM 238 CG LEU A 379 5.911 0.352 -5.358 1.00 3.33 C ATOM 239 CD1 LEU A 379 4.605 -0.177 -5.910 1.00 3.73 C ATOM 240 CD2 LEU A 379 6.000 1.855 -5.545 1.00 3.32 C ATOM 0 H LEU A 379 4.250 -1.716 -4.008 1.00 3.11 H new ATOM 0 HA LEU A 379 7.061 -1.880 -4.303 1.00 3.12 H new ATOM 0 HB2 LEU A 379 5.173 0.293 -3.348 1.00 2.85 H new ATOM 0 HB3 LEU A 379 6.905 0.535 -3.469 1.00 2.85 H new ATOM 0 HG LEU A 379 6.729 -0.108 -5.912 1.00 3.33 H new ATOM 0 HD11 LEU A 379 4.514 0.102 -6.960 1.00 3.73 H new ATOM 0 HD12 LEU A 379 4.586 -1.263 -5.821 1.00 3.73 H new ATOM 0 HD13 LEU A 379 3.774 0.248 -5.348 1.00 3.73 H new ATOM 0 HD21 LEU A 379 5.886 2.098 -6.602 1.00 3.32 H new ATOM 0 HD22 LEU A 379 5.209 2.340 -4.974 1.00 3.32 H new ATOM 0 HD23 LEU A 379 6.970 2.209 -5.194 1.00 3.32 H new ATOM 252 N CYS A 380 5.889 -2.165 -1.319 1.00 2.49 N ATOM 253 CA CYS A 380 6.240 -2.438 0.066 1.00 2.51 C ATOM 254 C CYS A 380 6.230 -3.939 0.345 1.00 2.94 C ATOM 255 O CYS A 380 6.592 -4.382 1.437 1.00 3.19 O ATOM 256 CB CYS A 380 5.278 -1.716 1.009 1.00 1.96 C ATOM 257 SG CYS A 380 5.568 0.062 1.122 1.00 1.82 S ATOM 0 H CYS A 380 4.911 -2.343 -1.549 1.00 2.49 H new ATOM 0 HA CYS A 380 7.250 -2.066 0.241 1.00 2.51 H new ATOM 0 HB2 CYS A 380 4.256 -1.887 0.672 1.00 1.96 H new ATOM 0 HB3 CYS A 380 5.363 -2.153 2.004 1.00 1.96 H new ATOM 262 N ASP A 381 5.806 -4.702 -0.663 1.00 3.16 N ATOM 263 CA ASP A 381 5.715 -6.164 -0.587 1.00 3.64 C ATOM 264 C ASP A 381 4.857 -6.592 0.600 1.00 3.40 C ATOM 265 O ASP A 381 5.074 -7.643 1.199 1.00 3.81 O ATOM 266 CB ASP A 381 7.112 -6.790 -0.492 1.00 4.29 C ATOM 267 CG ASP A 381 7.142 -8.231 -0.969 1.00 4.85 C ATOM 268 OD1 ASP A 381 7.225 -8.450 -2.196 1.00 4.47 O ATOM 269 OD2 ASP A 381 7.102 -9.151 -0.126 1.00 5.79 O ATOM 0 H ASP A 381 5.513 -4.322 -1.563 1.00 3.16 H new ATOM 0 HA ASP A 381 5.239 -6.521 -1.500 1.00 3.64 H new ATOM 0 HB2 ASP A 381 7.811 -6.201 -1.085 1.00 4.29 H new ATOM 0 HB3 ASP A 381 7.456 -6.746 0.541 1.00 4.29 H new ATOM 274 N ARG A 382 3.870 -5.771 0.926 1.00 2.80 N ATOM 275 CA ARG A 382 3.020 -6.012 2.080 1.00 2.63 C ATOM 276 C ARG A 382 1.686 -5.308 1.886 1.00 2.07 C ATOM 277 O ARG A 382 1.579 -4.382 1.080 1.00 1.71 O ATOM 278 CB ARG A 382 3.700 -5.501 3.354 1.00 2.81 C ATOM 279 CG ARG A 382 3.684 -3.987 3.489 1.00 2.50 C ATOM 280 CD ARG A 382 4.633 -3.503 4.571 1.00 2.97 C ATOM 281 NE ARG A 382 6.032 -3.597 4.150 1.00 3.24 N ATOM 282 CZ ARG A 382 7.001 -2.807 4.608 1.00 3.71 C ATOM 283 NH1 ARG A 382 6.729 -1.873 5.514 1.00 3.88 N ATOM 284 NH2 ARG A 382 8.241 -2.947 4.160 1.00 4.27 N ATOM 0 H ARG A 382 3.638 -4.927 0.403 1.00 2.80 H new ATOM 0 HA ARG A 382 2.851 -7.084 2.180 1.00 2.63 H new ATOM 0 HB2 ARG A 382 3.205 -5.940 4.221 1.00 2.81 H new ATOM 0 HB3 ARG A 382 4.733 -5.847 3.368 1.00 2.81 H new ATOM 0 HG2 ARG A 382 3.960 -3.535 2.536 1.00 2.50 H new ATOM 0 HG3 ARG A 382 2.672 -3.654 3.719 1.00 2.50 H new ATOM 0 HD2 ARG A 382 4.398 -2.469 4.824 1.00 2.97 H new ATOM 0 HD3 ARG A 382 4.485 -4.094 5.475 1.00 2.97 H new ATOM 0 HE ARG A 382 6.279 -4.311 3.465 1.00 3.24 H new ATOM 0 HH11 ARG A 382 5.776 -1.760 5.860 1.00 3.88 H new ATOM 0 HH12 ARG A 382 7.473 -1.269 5.863 1.00 3.88 H new ATOM 0 HH21 ARG A 382 8.454 -3.661 3.463 1.00 4.27 H new ATOM 0 HH22 ARG A 382 8.982 -2.341 4.512 1.00 4.27 H new ATOM 298 N ALA A 383 0.677 -5.735 2.623 1.00 2.12 N ATOM 299 CA ALA A 383 -0.646 -5.150 2.496 1.00 1.86 C ATOM 300 C ALA A 383 -0.957 -4.242 3.671 1.00 1.87 C ATOM 301 O ALA A 383 -0.464 -4.441 4.779 1.00 2.20 O ATOM 302 CB ALA A 383 -1.697 -6.238 2.362 1.00 2.24 C ATOM 0 H ALA A 383 0.747 -6.482 3.314 1.00 2.12 H new ATOM 0 HA ALA A 383 -0.662 -4.541 1.592 1.00 1.86 H new ATOM 0 HB1 ALA A 383 -2.683 -5.782 2.268 1.00 2.24 H new ATOM 0 HB2 ALA A 383 -1.489 -6.838 1.476 1.00 2.24 H new ATOM 0 HB3 ALA A 383 -1.675 -6.876 3.246 1.00 2.24 H new ATOM 308 N TYR A 384 -1.765 -3.234 3.405 1.00 1.86 N ATOM 309 CA TYR A 384 -2.151 -2.263 4.408 1.00 2.28 C ATOM 310 C TYR A 384 -3.657 -2.317 4.625 1.00 2.69 C ATOM 311 O TYR A 384 -4.387 -2.851 3.789 1.00 2.63 O ATOM 312 CB TYR A 384 -1.734 -0.858 3.956 1.00 2.27 C ATOM 313 CG TYR A 384 -0.239 -0.642 3.941 1.00 2.04 C ATOM 314 CD1 TYR A 384 0.543 -1.166 2.922 1.00 2.37 C ATOM 315 CD2 TYR A 384 0.389 0.091 4.939 1.00 2.15 C ATOM 316 CE1 TYR A 384 1.907 -0.970 2.899 1.00 2.31 C ATOM 317 CE2 TYR A 384 1.753 0.293 4.922 1.00 2.34 C ATOM 318 CZ TYR A 384 2.508 -0.246 3.926 1.00 2.17 C ATOM 319 OH TYR A 384 3.864 -0.036 3.880 1.00 2.46 O ATOM 0 H TYR A 384 -2.173 -3.066 2.485 1.00 1.86 H new ATOM 0 HA TYR A 384 -1.650 -2.497 5.347 1.00 2.28 H new ATOM 0 HB2 TYR A 384 -2.128 -0.676 2.956 1.00 2.27 H new ATOM 0 HB3 TYR A 384 -2.192 -0.123 4.618 1.00 2.27 H new ATOM 0 HD1 TYR A 384 0.075 -1.737 2.134 1.00 2.37 H new ATOM 0 HD2 TYR A 384 -0.200 0.510 5.741 1.00 2.15 H new ATOM 0 HE1 TYR A 384 2.503 -1.373 2.094 1.00 2.31 H new ATOM 0 HE2 TYR A 384 2.222 0.879 5.699 1.00 2.34 H new ATOM 0 HH TYR A 384 4.166 -0.051 2.948 1.00 2.46 H new ATOM 329 N PRO A 385 -4.137 -1.788 5.763 1.00 3.25 N ATOM 330 CA PRO A 385 -5.576 -1.688 6.051 1.00 3.72 C ATOM 331 C PRO A 385 -6.291 -0.742 5.091 1.00 3.86 C ATOM 332 O PRO A 385 -7.519 -0.676 5.060 1.00 4.19 O ATOM 333 CB PRO A 385 -5.623 -1.135 7.479 1.00 4.33 C ATOM 334 CG PRO A 385 -4.302 -0.478 7.680 1.00 4.36 C ATOM 335 CD PRO A 385 -3.321 -1.277 6.878 1.00 3.62 C ATOM 0 HA PRO A 385 -6.080 -2.648 5.938 1.00 3.72 H new ATOM 0 HB2 PRO A 385 -6.440 -0.424 7.600 1.00 4.33 H new ATOM 0 HB3 PRO A 385 -5.783 -1.931 8.206 1.00 4.33 H new ATOM 0 HG2 PRO A 385 -4.327 0.559 7.346 1.00 4.36 H new ATOM 0 HG3 PRO A 385 -4.027 -0.467 8.735 1.00 4.36 H new ATOM 0 HD2 PRO A 385 -2.494 -0.661 6.523 1.00 3.62 H new ATOM 0 HD3 PRO A 385 -2.887 -2.087 7.464 1.00 3.62 H new ATOM 343 N SER A 386 -5.505 -0.013 4.316 1.00 3.73 N ATOM 344 CA SER A 386 -6.019 0.904 3.320 1.00 3.96 C ATOM 345 C SER A 386 -4.931 1.144 2.279 1.00 3.45 C ATOM 346 O SER A 386 -3.998 0.348 2.171 1.00 2.87 O ATOM 347 CB SER A 386 -6.450 2.218 3.984 1.00 4.60 C ATOM 348 OG SER A 386 -7.099 3.083 3.067 1.00 5.22 O ATOM 0 H SER A 386 -4.487 -0.043 4.363 1.00 3.73 H new ATOM 0 HA SER A 386 -6.897 0.480 2.832 1.00 3.96 H new ATOM 0 HB2 SER A 386 -7.120 2.002 4.816 1.00 4.60 H new ATOM 0 HB3 SER A 386 -5.576 2.719 4.400 1.00 4.60 H new ATOM 0 HG SER A 386 -7.361 3.909 3.525 1.00 5.22 H new ATOM 354 N ASP A 387 -5.045 2.221 1.517 1.00 3.74 N ATOM 355 CA ASP A 387 -4.013 2.582 0.553 1.00 3.41 C ATOM 356 C ASP A 387 -2.712 2.889 1.280 1.00 3.00 C ATOM 357 O ASP A 387 -2.723 3.505 2.352 1.00 3.29 O ATOM 358 CB ASP A 387 -4.438 3.801 -0.274 1.00 3.99 C ATOM 359 CG ASP A 387 -5.567 3.502 -1.233 1.00 4.53 C ATOM 360 OD1 ASP A 387 -5.314 2.853 -2.271 1.00 5.09 O ATOM 361 OD2 ASP A 387 -6.716 3.900 -0.951 1.00 4.59 O ATOM 0 H ASP A 387 -5.839 2.860 1.546 1.00 3.74 H new ATOM 0 HA ASP A 387 -3.866 1.739 -0.122 1.00 3.41 H new ATOM 0 HB2 ASP A 387 -4.744 4.601 0.400 1.00 3.99 H new ATOM 0 HB3 ASP A 387 -3.579 4.169 -0.836 1.00 3.99 H new ATOM 366 N CYS A 388 -1.597 2.449 0.708 1.00 2.47 N ATOM 367 CA CYS A 388 -0.293 2.694 1.301 1.00 2.15 C ATOM 368 C CYS A 388 -0.019 4.193 1.350 1.00 2.66 C ATOM 369 O CYS A 388 -0.148 4.870 0.338 1.00 2.92 O ATOM 370 CB CYS A 388 0.804 1.980 0.506 1.00 1.60 C ATOM 371 SG CYS A 388 2.452 2.146 1.228 1.00 1.51 S ATOM 0 H CYS A 388 -1.573 1.922 -0.165 1.00 2.47 H new ATOM 0 HA CYS A 388 -0.292 2.299 2.317 1.00 2.15 H new ATOM 0 HB2 CYS A 388 0.555 0.921 0.431 1.00 1.60 H new ATOM 0 HB3 CYS A 388 0.821 2.376 -0.509 1.00 1.60 H new ATOM 376 N PRO A 389 0.338 4.726 2.530 1.00 2.96 N ATOM 377 CA PRO A 389 0.524 6.170 2.738 1.00 3.57 C ATOM 378 C PRO A 389 1.262 6.867 1.593 1.00 3.52 C ATOM 379 O PRO A 389 0.742 7.812 0.995 1.00 4.04 O ATOM 380 CB PRO A 389 1.346 6.225 4.017 1.00 3.90 C ATOM 381 CG PRO A 389 0.928 5.018 4.784 1.00 3.60 C ATOM 382 CD PRO A 389 0.592 3.961 3.767 1.00 2.92 C ATOM 0 HA PRO A 389 -0.431 6.692 2.790 1.00 3.57 H new ATOM 0 HB2 PRO A 389 2.415 6.208 3.803 1.00 3.90 H new ATOM 0 HB3 PRO A 389 1.148 7.139 4.577 1.00 3.90 H new ATOM 0 HG2 PRO A 389 1.728 4.681 5.444 1.00 3.60 H new ATOM 0 HG3 PRO A 389 0.066 5.238 5.414 1.00 3.60 H new ATOM 0 HD2 PRO A 389 1.412 3.255 3.639 1.00 2.92 H new ATOM 0 HD3 PRO A 389 -0.282 3.383 4.066 1.00 2.92 H new ATOM 390 N GLU A 390 2.458 6.389 1.277 1.00 3.00 N ATOM 391 CA GLU A 390 3.273 7.003 0.235 1.00 3.02 C ATOM 392 C GLU A 390 2.830 6.571 -1.163 1.00 2.79 C ATOM 393 O GLU A 390 2.659 7.401 -2.055 1.00 3.12 O ATOM 394 CB GLU A 390 4.753 6.644 0.416 1.00 2.87 C ATOM 395 CG GLU A 390 5.290 6.885 1.816 1.00 3.42 C ATOM 396 CD GLU A 390 5.245 5.644 2.685 1.00 3.53 C ATOM 397 OE1 GLU A 390 4.137 5.186 3.030 1.00 3.63 O ATOM 398 OE2 GLU A 390 6.324 5.130 3.046 1.00 3.98 O ATOM 0 H GLU A 390 2.886 5.579 1.726 1.00 3.00 H new ATOM 0 HA GLU A 390 3.139 8.081 0.329 1.00 3.02 H new ATOM 0 HB2 GLU A 390 4.893 5.593 0.162 1.00 2.87 H new ATOM 0 HB3 GLU A 390 5.344 7.225 -0.292 1.00 2.87 H new ATOM 0 HG2 GLU A 390 6.319 7.239 1.749 1.00 3.42 H new ATOM 0 HG3 GLU A 390 4.711 7.677 2.291 1.00 3.42 H new ATOM 405 N HIS A 391 2.633 5.272 -1.339 1.00 2.46 N ATOM 406 CA HIS A 391 2.514 4.689 -2.676 1.00 2.55 C ATOM 407 C HIS A 391 1.072 4.601 -3.160 1.00 2.98 C ATOM 408 O HIS A 391 0.827 4.378 -4.345 1.00 3.51 O ATOM 409 CB HIS A 391 3.149 3.296 -2.684 1.00 2.20 C ATOM 410 CG HIS A 391 4.582 3.303 -2.256 1.00 2.05 C ATOM 411 ND1 HIS A 391 5.002 2.656 -1.116 1.00 1.77 N ATOM 412 CD2 HIS A 391 5.644 3.910 -2.838 1.00 2.40 C ATOM 413 CE1 HIS A 391 6.300 2.888 -1.033 1.00 2.10 C ATOM 414 NE2 HIS A 391 6.731 3.641 -2.053 1.00 2.43 N ATOM 0 H HIS A 391 2.552 4.599 -0.577 1.00 2.46 H new ATOM 0 HA HIS A 391 3.039 5.352 -3.364 1.00 2.55 H new ATOM 0 HB2 HIS A 391 2.582 2.641 -2.023 1.00 2.20 H new ATOM 0 HB3 HIS A 391 3.078 2.876 -3.687 1.00 2.20 H new ATOM 0 HD2 HIS A 391 5.634 4.494 -3.747 1.00 2.40 H new ATOM 0 HE1 HIS A 391 6.934 2.517 -0.242 1.00 2.10 H new ATOM 0 HE2 HIS A 391 7.688 3.954 -2.214 1.00 2.43 H new ATOM 422 N GLY A 392 0.127 4.770 -2.256 1.00 2.94 N ATOM 423 CA GLY A 392 -1.270 4.641 -2.610 1.00 3.41 C ATOM 424 C GLY A 392 -1.801 5.854 -3.342 1.00 3.36 C ATOM 425 O GLY A 392 -1.790 5.892 -4.575 1.00 3.30 O ATOM 0 H GLY A 392 0.301 4.996 -1.277 1.00 2.94 H new ATOM 0 HA2 GLY A 392 -1.402 3.758 -3.235 1.00 3.41 H new ATOM 0 HA3 GLY A 392 -1.857 4.482 -1.705 1.00 3.41 H new ATOM 429 N PRO A 393 -2.269 6.874 -2.610 1.00 3.77 N ATOM 430 CA PRO A 393 -2.831 8.075 -3.209 1.00 4.00 C ATOM 431 C PRO A 393 -1.762 9.066 -3.642 1.00 3.65 C ATOM 432 O PRO A 393 -1.530 10.084 -2.993 1.00 3.97 O ATOM 433 CB PRO A 393 -3.689 8.647 -2.092 1.00 4.78 C ATOM 434 CG PRO A 393 -3.013 8.221 -0.832 1.00 5.05 C ATOM 435 CD PRO A 393 -2.292 6.932 -1.136 1.00 4.39 C ATOM 0 HA PRO A 393 -3.387 7.860 -4.122 1.00 4.00 H new ATOM 0 HB2 PRO A 393 -3.752 9.733 -2.159 1.00 4.78 H new ATOM 0 HB3 PRO A 393 -4.709 8.265 -2.142 1.00 4.78 H new ATOM 0 HG2 PRO A 393 -2.313 8.984 -0.492 1.00 5.05 H new ATOM 0 HG3 PRO A 393 -3.740 8.077 -0.033 1.00 5.05 H new ATOM 0 HD2 PRO A 393 -1.284 6.931 -0.721 1.00 4.39 H new ATOM 0 HD3 PRO A 393 -2.813 6.074 -0.711 1.00 4.39 H new ATOM 443 N VAL A 394 -1.128 8.762 -4.760 1.00 3.51 N ATOM 444 CA VAL A 394 -0.092 9.628 -5.310 1.00 3.72 C ATOM 445 C VAL A 394 -0.721 10.794 -6.052 1.00 3.98 C ATOM 446 O VAL A 394 -0.065 11.790 -6.366 1.00 4.76 O ATOM 447 CB VAL A 394 0.867 8.863 -6.249 1.00 4.22 C ATOM 448 CG1 VAL A 394 1.632 7.799 -5.478 1.00 4.46 C ATOM 449 CG2 VAL A 394 0.109 8.239 -7.412 1.00 4.69 C ATOM 0 H VAL A 394 -1.310 7.921 -5.308 1.00 3.51 H new ATOM 0 HA VAL A 394 0.495 10.002 -4.472 1.00 3.72 H new ATOM 0 HB VAL A 394 1.582 9.577 -6.657 1.00 4.22 H new ATOM 0 HG11 VAL A 394 2.303 7.270 -6.155 1.00 4.46 H new ATOM 0 HG12 VAL A 394 2.214 8.271 -4.686 1.00 4.46 H new ATOM 0 HG13 VAL A 394 0.929 7.092 -5.039 1.00 4.46 H new ATOM 0 HG21 VAL A 394 0.807 7.707 -8.058 1.00 4.69 H new ATOM 0 HG22 VAL A 394 -0.635 7.541 -7.029 1.00 4.69 H new ATOM 0 HG23 VAL A 394 -0.389 9.022 -7.984 1.00 4.69 H new ATOM 459 N THR A 395 -2.005 10.653 -6.314 1.00 3.71 N ATOM 460 CA THR A 395 -2.791 11.696 -6.948 1.00 4.37 C ATOM 461 C THR A 395 -3.172 12.768 -5.935 1.00 4.14 C ATOM 462 O THR A 395 -3.412 13.923 -6.287 1.00 4.55 O ATOM 463 CB THR A 395 -4.059 11.106 -7.585 1.00 4.99 C ATOM 464 OG1 THR A 395 -4.656 10.154 -6.690 1.00 5.13 O ATOM 465 CG2 THR A 395 -3.735 10.432 -8.908 1.00 5.72 C ATOM 0 H THR A 395 -2.535 9.810 -6.093 1.00 3.71 H new ATOM 0 HA THR A 395 -2.183 12.150 -7.731 1.00 4.37 H new ATOM 0 HB THR A 395 -4.760 11.919 -7.773 1.00 4.99 H new ATOM 0 HG1 THR A 395 -5.465 9.782 -7.100 1.00 5.13 H new ATOM 0 HG21 THR A 395 -4.648 10.022 -9.340 1.00 5.72 H new ATOM 0 HG22 THR A 395 -3.305 11.163 -9.593 1.00 5.72 H new ATOM 0 HG23 THR A 395 -3.019 9.627 -8.741 1.00 5.72 H new ATOM 473 N PHE A 396 -3.203 12.369 -4.673 1.00 3.97 N ATOM 474 CA PHE A 396 -3.518 13.274 -3.583 1.00 4.15 C ATOM 475 C PHE A 396 -2.317 14.168 -3.302 1.00 4.04 C ATOM 476 O PHE A 396 -1.170 13.747 -3.469 1.00 4.16 O ATOM 477 CB PHE A 396 -3.894 12.463 -2.336 1.00 4.81 C ATOM 478 CG PHE A 396 -4.270 13.299 -1.142 1.00 5.16 C ATOM 479 CD1 PHE A 396 -5.538 13.850 -1.037 1.00 5.72 C ATOM 480 CD2 PHE A 396 -3.357 13.527 -0.124 1.00 5.38 C ATOM 481 CE1 PHE A 396 -5.886 14.613 0.061 1.00 6.40 C ATOM 482 CE2 PHE A 396 -3.700 14.290 0.975 1.00 6.07 C ATOM 483 CZ PHE A 396 -4.966 14.833 1.068 1.00 6.54 C ATOM 0 H PHE A 396 -3.011 11.412 -4.378 1.00 3.97 H new ATOM 0 HA PHE A 396 -4.365 13.903 -3.857 1.00 4.15 H new ATOM 0 HB2 PHE A 396 -4.729 11.807 -2.582 1.00 4.81 H new ATOM 0 HB3 PHE A 396 -3.054 11.823 -2.066 1.00 4.81 H new ATOM 0 HD1 PHE A 396 -6.261 13.681 -1.821 1.00 5.72 H new ATOM 0 HD2 PHE A 396 -2.366 13.103 -0.191 1.00 5.38 H new ATOM 0 HE1 PHE A 396 -6.877 15.037 0.132 1.00 6.40 H new ATOM 0 HE2 PHE A 396 -2.979 14.462 1.760 1.00 6.07 H new ATOM 0 HZ PHE A 396 -5.237 15.429 1.927 1.00 6.54 H new ATOM 493 N VAL A 397 -2.576 15.405 -2.907 1.00 4.36 N ATOM 494 CA VAL A 397 -1.506 16.324 -2.557 1.00 4.90 C ATOM 495 C VAL A 397 -1.451 16.532 -1.040 1.00 5.50 C ATOM 496 O VAL A 397 -2.290 17.221 -0.455 1.00 5.82 O ATOM 497 CB VAL A 397 -1.640 17.678 -3.303 1.00 5.50 C ATOM 498 CG1 VAL A 397 -3.020 18.293 -3.109 1.00 5.77 C ATOM 499 CG2 VAL A 397 -0.552 18.649 -2.862 1.00 6.17 C ATOM 0 H VAL A 397 -3.515 15.794 -2.821 1.00 4.36 H new ATOM 0 HA VAL A 397 -0.566 15.875 -2.878 1.00 4.90 H new ATOM 0 HB VAL A 397 -1.515 17.478 -4.367 1.00 5.50 H new ATOM 0 HG11 VAL A 397 -3.075 19.240 -3.646 1.00 5.77 H new ATOM 0 HG12 VAL A 397 -3.779 17.612 -3.494 1.00 5.77 H new ATOM 0 HG13 VAL A 397 -3.195 18.468 -2.047 1.00 5.77 H new ATOM 0 HG21 VAL A 397 -0.666 19.591 -3.398 1.00 6.17 H new ATOM 0 HG22 VAL A 397 -0.637 18.829 -1.790 1.00 6.17 H new ATOM 0 HG23 VAL A 397 0.427 18.223 -3.082 1.00 6.17 H new ATOM 509 N PRO A 398 -0.483 15.889 -0.376 1.00 5.97 N ATOM 510 CA PRO A 398 -0.314 15.997 1.065 1.00 6.86 C ATOM 511 C PRO A 398 0.432 17.266 1.462 1.00 7.67 C ATOM 512 O PRO A 398 1.509 17.559 0.942 1.00 8.36 O ATOM 513 CB PRO A 398 0.503 14.755 1.411 1.00 7.35 C ATOM 514 CG PRO A 398 1.315 14.477 0.191 1.00 6.95 C ATOM 515 CD PRO A 398 0.524 14.997 -0.985 1.00 6.01 C ATOM 0 HA PRO A 398 -1.266 16.055 1.593 1.00 6.86 H new ATOM 0 HB2 PRO A 398 1.140 14.930 2.278 1.00 7.35 H new ATOM 0 HB3 PRO A 398 -0.144 13.912 1.656 1.00 7.35 H new ATOM 0 HG2 PRO A 398 2.286 14.969 0.252 1.00 6.95 H new ATOM 0 HG3 PRO A 398 1.505 13.409 0.088 1.00 6.95 H new ATOM 0 HD2 PRO A 398 1.161 15.535 -1.687 1.00 6.01 H new ATOM 0 HD3 PRO A 398 0.054 14.185 -1.539 1.00 6.01 H new ATOM 523 N ASP A 399 -0.156 18.023 2.377 1.00 7.83 N ATOM 524 CA ASP A 399 0.476 19.229 2.894 1.00 8.78 C ATOM 525 C ASP A 399 1.635 18.852 3.793 1.00 9.15 C ATOM 526 O ASP A 399 2.661 19.527 3.830 1.00 9.38 O ATOM 527 CB ASP A 399 -0.528 20.086 3.665 1.00 9.18 C ATOM 528 CG ASP A 399 -1.498 20.806 2.755 1.00 9.69 C ATOM 529 OD1 ASP A 399 -1.167 21.910 2.272 1.00 10.47 O ATOM 530 OD2 ASP A 399 -2.601 20.269 2.519 1.00 9.49 O ATOM 0 H ASP A 399 -1.072 17.823 2.778 1.00 7.83 H new ATOM 0 HA ASP A 399 0.845 19.814 2.052 1.00 8.78 H new ATOM 0 HB2 ASP A 399 -1.085 19.453 4.356 1.00 9.18 H new ATOM 0 HB3 ASP A 399 0.011 20.818 4.267 1.00 9.18 H new ATOM 535 N THR A 400 1.454 17.765 4.521 1.00 9.46 N ATOM 536 CA THR A 400 2.509 17.215 5.343 1.00 10.09 C ATOM 537 C THR A 400 3.093 15.981 4.658 1.00 10.99 C ATOM 538 O THR A 400 2.380 15.002 4.424 1.00 11.20 O ATOM 539 CB THR A 400 1.975 16.838 6.735 1.00 10.16 C ATOM 540 OG1 THR A 400 1.185 17.920 7.253 1.00 9.95 O ATOM 541 CG2 THR A 400 3.119 16.541 7.695 1.00 10.17 C ATOM 0 H THR A 400 0.578 17.244 4.557 1.00 9.46 H new ATOM 0 HA THR A 400 3.287 17.968 5.468 1.00 10.09 H new ATOM 0 HB THR A 400 1.363 15.941 6.639 1.00 10.16 H new ATOM 0 HG1 THR A 400 0.843 17.680 8.139 1.00 9.95 H new ATOM 0 HG21 THR A 400 2.715 16.277 8.672 1.00 10.17 H new ATOM 0 HG22 THR A 400 3.710 15.710 7.310 1.00 10.17 H new ATOM 0 HG23 THR A 400 3.752 17.423 7.791 1.00 10.17 H new ATOM 549 N PRO A 401 4.387 16.028 4.297 1.00 11.70 N ATOM 550 CA PRO A 401 5.058 14.924 3.596 1.00 12.73 C ATOM 551 C PRO A 401 5.040 13.628 4.398 1.00 13.37 C ATOM 552 O PRO A 401 5.112 13.644 5.629 1.00 13.87 O ATOM 553 CB PRO A 401 6.498 15.416 3.428 1.00 13.30 C ATOM 554 CG PRO A 401 6.429 16.895 3.583 1.00 12.82 C ATOM 555 CD PRO A 401 5.298 17.159 4.533 1.00 11.73 C ATOM 0 HA PRO A 401 4.560 14.690 2.655 1.00 12.73 H new ATOM 0 HB2 PRO A 401 7.155 14.972 4.176 1.00 13.30 H new ATOM 0 HB3 PRO A 401 6.896 15.141 2.451 1.00 13.30 H new ATOM 0 HG2 PRO A 401 7.367 17.291 3.973 1.00 12.82 H new ATOM 0 HG3 PRO A 401 6.253 17.380 2.623 1.00 12.82 H new ATOM 0 HD2 PRO A 401 5.640 17.191 5.567 1.00 11.73 H new ATOM 0 HD3 PRO A 401 4.815 18.114 4.328 1.00 11.73 H new ATOM 563 N ILE A 402 4.942 12.510 3.697 1.00 13.49 N ATOM 564 CA ILE A 402 4.932 11.208 4.338 1.00 14.27 C ATOM 565 C ILE A 402 6.354 10.669 4.435 1.00 14.82 C ATOM 566 O ILE A 402 6.897 10.236 3.397 1.00 15.17 O ATOM 567 CB ILE A 402 4.057 10.196 3.567 1.00 14.27 C ATOM 568 CG1 ILE A 402 2.673 10.784 3.265 1.00 14.67 C ATOM 569 CG2 ILE A 402 3.918 8.907 4.363 1.00 14.20 C ATOM 570 CD1 ILE A 402 1.868 11.133 4.500 1.00 15.06 C ATOM 571 OXT ILE A 402 6.931 10.692 5.541 1.00 15.02 O ATOM 0 H ILE A 402 4.868 12.480 2.680 1.00 13.49 H new ATOM 0 HA ILE A 402 4.508 11.335 5.334 1.00 14.27 H new ATOM 0 HB ILE A 402 4.547 9.976 2.619 1.00 14.27 H new ATOM 0 HG12 ILE A 402 2.795 11.681 2.658 1.00 14.67 H new ATOM 0 HG13 ILE A 402 2.109 10.069 2.666 1.00 14.67 H new ATOM 0 HG21 ILE A 402 3.299 8.202 3.808 1.00 14.20 H new ATOM 0 HG22 ILE A 402 4.904 8.473 4.527 1.00 14.20 H new ATOM 0 HG23 ILE A 402 3.451 9.122 5.324 1.00 14.20 H new ATOM 0 HD11 ILE A 402 0.903 11.543 4.202 1.00 15.06 H new ATOM 0 HD12 ILE A 402 1.712 10.235 5.098 1.00 15.06 H new ATOM 0 HD13 ILE A 402 2.409 11.873 5.090 1.00 15.06 H new TER 583 ILE A 402 HETATM 584 ZN ZN A 403 4.031 1.202 -0.151 1.00 1.27 ZN