USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=11 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 -58:sc= 0.0183 USER MOD Single : A 366 LYS NZ :NH3+ -170:sc= -0.0175 (180deg=-0.162) USER MOD Single : A 368 ASN :FLIP amide:sc=-0.00737 F(o=-0.85,f=-0.0074) USER MOD Single : A 369 MET CE :methyl 166:sc= -0.0823 (180deg=-0.499) USER MOD Single : A 371 THR OG1 : rot 57:sc= 0.185 USER MOD Single : A 374 THR OG1 : rot 180:sc= -0.0733 USER MOD Single : A 378 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : A 384 TYR OH : rot 30:sc= 1.15 USER MOD Single : A 386 SER OG : rot -112:sc= 0.109 USER MOD Single : A 395 THR OG1 : rot 180:sc= 0 USER MOD Single : A 400 THR OG1 : rot -80:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 -0.960 -21.550 22.154 1.00 10.97 N ATOM 2 CA GLY A 364 -2.034 -20.634 21.703 1.00 10.49 C ATOM 3 C GLY A 364 -1.479 -19.342 21.146 1.00 9.66 C ATOM 4 O GLY A 364 -0.322 -19.295 20.718 1.00 9.60 O ATOM 0 HA2 GLY A 364 -2.636 -21.129 20.941 1.00 10.49 H new ATOM 0 HA3 GLY A 364 -2.697 -20.413 22.539 1.00 10.49 H new ATOM 10 N SER A 365 -2.310 -18.302 21.149 1.00 9.23 N ATOM 11 CA SER A 365 -1.928 -16.980 20.666 1.00 8.58 C ATOM 12 C SER A 365 -1.447 -17.054 19.217 1.00 8.19 C ATOM 13 O SER A 365 -0.337 -16.625 18.891 1.00 8.25 O ATOM 14 CB SER A 365 -0.850 -16.368 21.574 1.00 8.72 C ATOM 15 OG SER A 365 -0.688 -14.981 21.322 1.00 9.06 O ATOM 0 H SER A 365 -3.271 -18.354 21.488 1.00 9.23 H new ATOM 0 HA SER A 365 -2.805 -16.333 20.696 1.00 8.58 H new ATOM 0 HB2 SER A 365 -1.122 -16.520 22.618 1.00 8.72 H new ATOM 0 HB3 SER A 365 0.098 -16.882 21.413 1.00 8.72 H new ATOM 0 HG SER A 365 -0.455 -14.845 20.380 1.00 9.06 H new ATOM 21 N LYS A 366 -2.285 -17.610 18.351 1.00 8.06 N ATOM 22 CA LYS A 366 -1.932 -17.774 16.947 1.00 8.04 C ATOM 23 C LYS A 366 -3.167 -17.689 16.051 1.00 7.21 C ATOM 24 O LYS A 366 -3.309 -18.451 15.093 1.00 7.19 O ATOM 25 CB LYS A 366 -1.214 -19.112 16.738 1.00 9.14 C ATOM 26 CG LYS A 366 -1.994 -20.314 17.257 1.00 9.84 C ATOM 27 CD LYS A 366 -1.231 -21.615 17.048 1.00 10.55 C ATOM 28 CE LYS A 366 -0.979 -21.896 15.572 1.00 11.43 C ATOM 29 NZ LYS A 366 -2.244 -22.013 14.797 1.00 12.01 N ATOM 0 H LYS A 366 -3.213 -17.955 18.596 1.00 8.06 H new ATOM 0 HA LYS A 366 -1.261 -16.961 16.669 1.00 8.04 H new ATOM 0 HB2 LYS A 366 -1.020 -19.248 15.674 1.00 9.14 H new ATOM 0 HB3 LYS A 366 -0.245 -19.076 17.236 1.00 9.14 H new ATOM 0 HG2 LYS A 366 -2.203 -20.181 18.319 1.00 9.84 H new ATOM 0 HG3 LYS A 366 -2.956 -20.371 16.748 1.00 9.84 H new ATOM 0 HD2 LYS A 366 -0.279 -21.566 17.576 1.00 10.55 H new ATOM 0 HD3 LYS A 366 -1.795 -22.440 17.483 1.00 10.55 H new ATOM 0 HE2 LYS A 366 -0.370 -21.096 15.151 1.00 11.43 H new ATOM 0 HE3 LYS A 366 -0.407 -22.819 15.472 1.00 11.43 H new ATOM 0 HZ1 LYS A 366 -2.035 -22.369 13.843 1.00 12.01 H new ATOM 0 HZ2 LYS A 366 -2.887 -22.673 15.279 1.00 12.01 H new ATOM 0 HZ3 LYS A 366 -2.696 -21.079 14.727 1.00 12.01 H new ATOM 43 N GLU A 367 -4.056 -16.756 16.360 1.00 6.82 N ATOM 44 CA GLU A 367 -5.284 -16.600 15.590 1.00 6.33 C ATOM 45 C GLU A 367 -5.218 -15.372 14.693 1.00 5.49 C ATOM 46 O GLU A 367 -5.404 -14.242 15.148 1.00 5.33 O ATOM 47 CB GLU A 367 -6.495 -16.502 16.519 1.00 6.67 C ATOM 48 CG GLU A 367 -6.718 -17.752 17.350 1.00 7.76 C ATOM 49 CD GLU A 367 -7.926 -17.645 18.256 1.00 8.29 C ATOM 50 OE1 GLU A 367 -7.847 -16.929 19.278 1.00 8.52 O ATOM 51 OE2 GLU A 367 -8.957 -18.283 17.959 1.00 8.69 O ATOM 0 H GLU A 367 -3.952 -16.099 17.133 1.00 6.82 H new ATOM 0 HA GLU A 367 -5.392 -17.482 14.959 1.00 6.33 H new ATOM 0 HB2 GLU A 367 -6.364 -15.650 17.186 1.00 6.67 H new ATOM 0 HB3 GLU A 367 -7.386 -16.307 15.923 1.00 6.67 H new ATOM 0 HG2 GLU A 367 -6.842 -18.607 16.686 1.00 7.76 H new ATOM 0 HG3 GLU A 367 -5.832 -17.944 17.955 1.00 7.76 H new ATOM 58 N ASN A 368 -4.949 -15.599 13.417 1.00 5.31 N ATOM 59 CA ASN A 368 -4.931 -14.523 12.435 1.00 4.94 C ATOM 60 C ASN A 368 -6.353 -14.223 11.979 1.00 4.43 C ATOM 61 O ASN A 368 -6.799 -14.705 10.938 1.00 4.57 O ATOM 62 CB ASN A 368 -4.063 -14.900 11.226 1.00 5.52 C ATOM 63 CG ASN A 368 -2.591 -15.062 11.562 1.00 5.70 C ATOM 64 OD1 ASN A 368 -2.080 -14.233 12.458 1.00 5.80 O flip ATOM 65 ND2 ASN A 368 -1.910 -15.917 10.995 1.00 6.18 N flip ATOM 0 H ASN A 368 -4.739 -16.521 13.035 1.00 5.31 H new ATOM 0 HA ASN A 368 -4.502 -13.636 12.900 1.00 4.94 H new ATOM 0 HB2 ASN A 368 -4.434 -15.832 10.799 1.00 5.52 H new ATOM 0 HB3 ASN A 368 -4.170 -14.133 10.459 1.00 5.52 H new ATOM 0 HD21 ASN A 368 -2.339 -16.539 10.310 1.00 6.18 H new ATOM 0 HD22 ASN A 368 -0.917 -16.004 11.211 1.00 6.18 H new ATOM 72 N MET A 369 -7.069 -13.447 12.778 1.00 4.24 N ATOM 73 CA MET A 369 -8.468 -13.147 12.500 1.00 4.21 C ATOM 74 C MET A 369 -8.634 -11.715 12.016 1.00 3.73 C ATOM 75 O MET A 369 -9.196 -11.471 10.949 1.00 3.81 O ATOM 76 CB MET A 369 -9.316 -13.374 13.751 1.00 4.95 C ATOM 77 CG MET A 369 -9.351 -14.823 14.207 1.00 5.74 C ATOM 78 SD MET A 369 -10.174 -15.032 15.797 1.00 6.64 S ATOM 79 CE MET A 369 -11.788 -14.340 15.442 1.00 6.99 C ATOM 0 H MET A 369 -6.705 -13.012 13.626 1.00 4.24 H new ATOM 0 HA MET A 369 -8.806 -13.818 11.710 1.00 4.21 H new ATOM 0 HB2 MET A 369 -8.927 -12.756 14.560 1.00 4.95 H new ATOM 0 HB3 MET A 369 -10.334 -13.039 13.555 1.00 4.95 H new ATOM 0 HG2 MET A 369 -9.863 -15.424 13.456 1.00 5.74 H new ATOM 0 HG3 MET A 369 -8.332 -15.202 14.278 1.00 5.74 H new ATOM 0 HE1 MET A 369 -12.485 -14.617 16.233 1.00 6.99 H new ATOM 0 HE2 MET A 369 -11.714 -13.254 15.387 1.00 6.99 H new ATOM 0 HE3 MET A 369 -12.149 -14.728 14.489 1.00 6.99 H new ATOM 89 N ALA A 370 -8.133 -10.768 12.799 1.00 3.73 N ATOM 90 CA ALA A 370 -8.215 -9.361 12.438 1.00 3.72 C ATOM 91 C ALA A 370 -7.104 -9.000 11.461 1.00 2.82 C ATOM 92 O ALA A 370 -6.256 -8.152 11.743 1.00 3.04 O ATOM 93 CB ALA A 370 -8.145 -8.483 13.678 1.00 4.68 C ATOM 0 H ALA A 370 -7.666 -10.950 13.687 1.00 3.73 H new ATOM 0 HA ALA A 370 -9.174 -9.185 11.952 1.00 3.72 H new ATOM 0 HB1 ALA A 370 -8.208 -7.435 13.386 1.00 4.68 H new ATOM 0 HB2 ALA A 370 -8.975 -8.725 14.342 1.00 4.68 H new ATOM 0 HB3 ALA A 370 -7.202 -8.659 14.196 1.00 4.68 H new ATOM 99 N THR A 371 -7.111 -9.661 10.315 1.00 2.51 N ATOM 100 CA THR A 371 -6.118 -9.421 9.287 1.00 2.38 C ATOM 101 C THR A 371 -6.480 -8.187 8.472 1.00 2.34 C ATOM 102 O THR A 371 -6.883 -8.287 7.310 1.00 2.92 O ATOM 103 CB THR A 371 -5.982 -10.639 8.359 1.00 3.20 C ATOM 104 OG1 THR A 371 -7.274 -11.043 7.882 1.00 3.73 O ATOM 105 CG2 THR A 371 -5.316 -11.801 9.083 1.00 3.91 C ATOM 0 H THR A 371 -7.800 -10.373 10.074 1.00 2.51 H new ATOM 0 HA THR A 371 -5.161 -9.252 9.780 1.00 2.38 H new ATOM 0 HB THR A 371 -5.357 -10.353 7.513 1.00 3.20 H new ATOM 0 HG1 THR A 371 -7.706 -10.289 7.428 1.00 3.73 H new ATOM 0 HG21 THR A 371 -5.231 -12.651 8.406 1.00 3.91 H new ATOM 0 HG22 THR A 371 -4.322 -11.501 9.415 1.00 3.91 H new ATOM 0 HG23 THR A 371 -5.917 -12.084 9.947 1.00 3.91 H new ATOM 113 N LEU A 372 -6.337 -7.020 9.089 1.00 2.45 N ATOM 114 CA LEU A 372 -6.657 -5.763 8.434 1.00 3.23 C ATOM 115 C LEU A 372 -5.530 -5.362 7.484 1.00 3.17 C ATOM 116 O LEU A 372 -4.922 -4.304 7.614 1.00 3.84 O ATOM 117 CB LEU A 372 -6.911 -4.668 9.474 1.00 4.21 C ATOM 118 CG LEU A 372 -7.493 -3.364 8.920 1.00 5.23 C ATOM 119 CD1 LEU A 372 -8.838 -3.612 8.258 1.00 5.79 C ATOM 120 CD2 LEU A 372 -7.621 -2.326 10.022 1.00 5.95 C ATOM 0 H LEU A 372 -6.000 -6.921 10.047 1.00 2.45 H new ATOM 0 HA LEU A 372 -7.568 -5.892 7.850 1.00 3.23 H new ATOM 0 HB2 LEU A 372 -7.592 -5.059 10.230 1.00 4.21 H new ATOM 0 HB3 LEU A 372 -5.971 -4.442 9.978 1.00 4.21 H new ATOM 0 HG LEU A 372 -6.809 -2.979 8.164 1.00 5.23 H new ATOM 0 HD11 LEU A 372 -9.232 -2.672 7.872 1.00 5.79 H new ATOM 0 HD12 LEU A 372 -8.715 -4.318 7.437 1.00 5.79 H new ATOM 0 HD13 LEU A 372 -9.533 -4.024 8.990 1.00 5.79 H new ATOM 0 HD21 LEU A 372 -8.036 -1.407 9.609 1.00 5.95 H new ATOM 0 HD22 LEU A 372 -8.281 -2.704 10.803 1.00 5.95 H new ATOM 0 HD23 LEU A 372 -6.638 -2.122 10.446 1.00 5.95 H new ATOM 132 N PHE A 373 -5.250 -6.246 6.544 1.00 2.73 N ATOM 133 CA PHE A 373 -4.246 -6.018 5.523 1.00 2.88 C ATOM 134 C PHE A 373 -4.815 -6.448 4.183 1.00 3.00 C ATOM 135 O PHE A 373 -4.673 -7.600 3.770 1.00 3.30 O ATOM 136 CB PHE A 373 -2.966 -6.793 5.840 1.00 3.13 C ATOM 137 CG PHE A 373 -2.240 -6.284 7.050 1.00 3.28 C ATOM 138 CD1 PHE A 373 -1.544 -5.088 7.009 1.00 3.36 C ATOM 139 CD2 PHE A 373 -2.256 -7.007 8.229 1.00 3.81 C ATOM 140 CE1 PHE A 373 -0.880 -4.623 8.127 1.00 3.64 C ATOM 141 CE2 PHE A 373 -1.594 -6.549 9.347 1.00 4.26 C ATOM 142 CZ PHE A 373 -0.886 -5.331 9.277 1.00 4.05 C ATOM 0 H PHE A 373 -5.717 -7.149 6.468 1.00 2.73 H new ATOM 0 HA PHE A 373 -3.988 -4.959 5.491 1.00 2.88 H new ATOM 0 HB2 PHE A 373 -3.215 -7.843 5.991 1.00 3.13 H new ATOM 0 HB3 PHE A 373 -2.299 -6.744 4.979 1.00 3.13 H new ATOM 0 HD1 PHE A 373 -1.520 -4.514 6.095 1.00 3.36 H new ATOM 0 HD2 PHE A 373 -2.794 -7.942 8.274 1.00 3.81 H new ATOM 0 HE1 PHE A 373 -0.350 -3.683 8.081 1.00 3.64 H new ATOM 0 HE2 PHE A 373 -1.617 -7.116 10.266 1.00 4.26 H new ATOM 0 HZ PHE A 373 -0.350 -4.966 10.141 1.00 4.05 H new ATOM 152 N THR A 374 -5.476 -5.519 3.520 1.00 3.03 N ATOM 153 CA THR A 374 -6.252 -5.833 2.337 1.00 3.49 C ATOM 154 C THR A 374 -5.571 -5.355 1.065 1.00 3.30 C ATOM 155 O THR A 374 -5.279 -6.148 0.168 1.00 3.66 O ATOM 156 CB THR A 374 -7.649 -5.205 2.451 1.00 3.95 C ATOM 157 OG1 THR A 374 -7.530 -3.803 2.740 1.00 3.66 O ATOM 158 CG2 THR A 374 -8.441 -5.885 3.552 1.00 4.50 C ATOM 0 H THR A 374 -5.490 -4.534 3.783 1.00 3.03 H new ATOM 0 HA THR A 374 -6.337 -6.918 2.275 1.00 3.49 H new ATOM 0 HB THR A 374 -8.172 -5.337 1.504 1.00 3.95 H new ATOM 0 HG1 THR A 374 -8.423 -3.406 2.810 1.00 3.66 H new ATOM 0 HG21 THR A 374 -9.429 -5.431 3.623 1.00 4.50 H new ATOM 0 HG22 THR A 374 -8.545 -6.946 3.324 1.00 4.50 H new ATOM 0 HG23 THR A 374 -7.919 -5.768 4.502 1.00 4.50 H new ATOM 166 N ILE A 375 -5.304 -4.064 1.000 1.00 2.90 N ATOM 167 CA ILE A 375 -4.681 -3.474 -0.170 1.00 2.78 C ATOM 168 C ILE A 375 -3.181 -3.735 -0.155 1.00 2.33 C ATOM 169 O ILE A 375 -2.440 -3.178 0.661 1.00 1.93 O ATOM 170 CB ILE A 375 -4.966 -1.960 -0.256 1.00 2.85 C ATOM 171 CG1 ILE A 375 -6.478 -1.722 -0.347 1.00 3.47 C ATOM 172 CG2 ILE A 375 -4.254 -1.349 -1.456 1.00 2.84 C ATOM 173 CD1 ILE A 375 -6.871 -0.261 -0.427 1.00 3.98 C ATOM 0 H ILE A 375 -5.510 -3.401 1.747 1.00 2.90 H new ATOM 0 HA ILE A 375 -5.112 -3.943 -1.054 1.00 2.78 H new ATOM 0 HB ILE A 375 -4.586 -1.477 0.644 1.00 2.85 H new ATOM 0 HG12 ILE A 375 -6.864 -2.240 -1.225 1.00 3.47 H new ATOM 0 HG13 ILE A 375 -6.958 -2.169 0.523 1.00 3.47 H new ATOM 0 HG21 ILE A 375 -4.467 -0.281 -1.500 1.00 2.84 H new ATOM 0 HG22 ILE A 375 -3.179 -1.501 -1.358 1.00 2.84 H new ATOM 0 HG23 ILE A 375 -4.606 -1.827 -2.370 1.00 2.84 H new ATOM 0 HD11 ILE A 375 -7.956 -0.179 -0.489 1.00 3.98 H new ATOM 0 HD12 ILE A 375 -6.518 0.260 0.463 1.00 3.98 H new ATOM 0 HD13 ILE A 375 -6.422 0.189 -1.313 1.00 3.98 H new ATOM 185 N TRP A 376 -2.749 -4.616 -1.043 1.00 2.60 N ATOM 186 CA TRP A 376 -1.357 -5.006 -1.122 1.00 2.50 C ATOM 187 C TRP A 376 -0.541 -3.941 -1.836 1.00 2.39 C ATOM 188 O TRP A 376 -0.690 -3.738 -3.043 1.00 2.84 O ATOM 189 CB TRP A 376 -1.219 -6.344 -1.851 1.00 3.11 C ATOM 190 CG TRP A 376 0.148 -6.951 -1.740 1.00 3.27 C ATOM 191 CD1 TRP A 376 1.222 -6.721 -2.553 1.00 3.53 C ATOM 192 CD2 TRP A 376 0.584 -7.892 -0.755 1.00 3.38 C ATOM 193 NE1 TRP A 376 2.300 -7.460 -2.129 1.00 3.79 N ATOM 194 CE2 TRP A 376 1.932 -8.187 -1.026 1.00 3.72 C ATOM 195 CE3 TRP A 376 -0.035 -8.512 0.336 1.00 3.35 C ATOM 196 CZ2 TRP A 376 2.670 -9.078 -0.252 1.00 4.05 C ATOM 197 CZ3 TRP A 376 0.701 -9.397 1.103 1.00 3.67 C ATOM 198 CH2 TRP A 376 2.040 -9.669 0.809 1.00 4.01 C ATOM 0 H TRP A 376 -3.352 -5.077 -1.724 1.00 2.60 H new ATOM 0 HA TRP A 376 -0.976 -5.115 -0.106 1.00 2.50 H new ATOM 0 HB2 TRP A 376 -1.952 -7.044 -1.450 1.00 3.11 H new ATOM 0 HB3 TRP A 376 -1.459 -6.201 -2.905 1.00 3.11 H new ATOM 0 HD1 TRP A 376 1.223 -6.056 -3.404 1.00 3.53 H new ATOM 0 HE1 TRP A 376 3.223 -7.467 -2.563 1.00 3.79 H new ATOM 0 HE3 TRP A 376 -1.067 -8.304 0.575 1.00 3.35 H new ATOM 0 HZ2 TRP A 376 3.703 -9.295 -0.481 1.00 4.05 H new ATOM 0 HZ3 TRP A 376 0.233 -9.887 1.944 1.00 3.67 H new ATOM 0 HH2 TRP A 376 2.589 -10.360 1.432 1.00 4.01 H new ATOM 209 N CYS A 377 0.302 -3.248 -1.089 1.00 1.89 N ATOM 210 CA CYS A 377 1.239 -2.327 -1.695 1.00 1.87 C ATOM 211 C CYS A 377 2.429 -3.110 -2.218 1.00 2.35 C ATOM 212 O CYS A 377 3.268 -3.573 -1.444 1.00 2.34 O ATOM 213 CB CYS A 377 1.715 -1.263 -0.707 1.00 1.27 C ATOM 214 SG CYS A 377 2.960 -0.157 -1.416 1.00 1.50 S ATOM 0 H CYS A 377 0.355 -3.307 -0.072 1.00 1.89 H new ATOM 0 HA CYS A 377 0.732 -1.811 -2.510 1.00 1.87 H new ATOM 0 HB2 CYS A 377 0.860 -0.675 -0.374 1.00 1.27 H new ATOM 0 HB3 CYS A 377 2.129 -1.752 0.175 1.00 1.27 H new ATOM 219 N THR A 378 2.490 -3.261 -3.528 1.00 2.94 N ATOM 220 CA THR A 378 3.542 -4.029 -4.160 1.00 3.52 C ATOM 221 C THR A 378 4.913 -3.404 -3.892 1.00 3.48 C ATOM 222 O THR A 378 5.915 -4.107 -3.776 1.00 3.86 O ATOM 223 CB THR A 378 3.296 -4.131 -5.674 1.00 4.16 C ATOM 224 OG1 THR A 378 1.885 -4.234 -5.918 1.00 4.33 O ATOM 225 CG2 THR A 378 3.994 -5.351 -6.255 1.00 4.41 C ATOM 0 H THR A 378 1.816 -2.857 -4.178 1.00 2.94 H new ATOM 0 HA THR A 378 3.531 -5.031 -3.731 1.00 3.52 H new ATOM 0 HB THR A 378 3.698 -3.238 -6.153 1.00 4.16 H new ATOM 0 HG1 THR A 378 1.724 -4.298 -6.883 1.00 4.33 H new ATOM 0 HG21 THR A 378 3.805 -5.402 -7.327 1.00 4.41 H new ATOM 0 HG22 THR A 378 5.067 -5.275 -6.078 1.00 4.41 H new ATOM 0 HG23 THR A 378 3.611 -6.252 -5.776 1.00 4.41 H new ATOM 233 N LEU A 379 4.939 -2.081 -3.755 1.00 3.11 N ATOM 234 CA LEU A 379 6.175 -1.357 -3.485 1.00 3.12 C ATOM 235 C LEU A 379 6.664 -1.605 -2.059 1.00 2.90 C ATOM 236 O LEU A 379 7.835 -1.393 -1.749 1.00 3.23 O ATOM 237 CB LEU A 379 5.994 0.144 -3.723 1.00 2.85 C ATOM 238 CG LEU A 379 5.846 0.551 -5.189 1.00 3.33 C ATOM 239 CD1 LEU A 379 4.509 0.100 -5.740 1.00 3.73 C ATOM 240 CD2 LEU A 379 6.022 2.052 -5.357 1.00 3.32 C ATOM 0 H LEU A 379 4.113 -1.487 -3.827 1.00 3.11 H new ATOM 0 HA LEU A 379 6.929 -1.732 -4.177 1.00 3.12 H new ATOM 0 HB2 LEU A 379 5.112 0.480 -3.177 1.00 2.85 H new ATOM 0 HB3 LEU A 379 6.850 0.670 -3.300 1.00 2.85 H new ATOM 0 HG LEU A 379 6.632 0.055 -5.758 1.00 3.33 H new ATOM 0 HD11 LEU A 379 4.426 0.401 -6.784 1.00 3.73 H new ATOM 0 HD12 LEU A 379 4.433 -0.985 -5.667 1.00 3.73 H new ATOM 0 HD13 LEU A 379 3.705 0.559 -5.165 1.00 3.73 H new ATOM 0 HD21 LEU A 379 5.912 2.316 -6.409 1.00 3.32 H new ATOM 0 HD22 LEU A 379 5.266 2.575 -4.771 1.00 3.32 H new ATOM 0 HD23 LEU A 379 7.014 2.343 -5.012 1.00 3.32 H new ATOM 252 N CYS A 380 5.758 -2.040 -1.193 1.00 2.49 N ATOM 253 CA CYS A 380 6.114 -2.389 0.178 1.00 2.51 C ATOM 254 C CYS A 380 6.275 -3.900 0.325 1.00 2.94 C ATOM 255 O CYS A 380 6.789 -4.388 1.333 1.00 3.19 O ATOM 256 CB CYS A 380 5.047 -1.890 1.162 1.00 1.96 C ATOM 257 SG CYS A 380 5.191 -0.147 1.624 1.00 1.82 S ATOM 0 H CYS A 380 4.770 -2.160 -1.415 1.00 2.49 H new ATOM 0 HA CYS A 380 7.063 -1.905 0.408 1.00 2.51 H new ATOM 0 HB2 CYS A 380 4.063 -2.054 0.722 1.00 1.96 H new ATOM 0 HB3 CYS A 380 5.097 -2.496 2.067 1.00 1.96 H new ATOM 262 N ASP A 381 5.827 -4.621 -0.704 1.00 3.16 N ATOM 263 CA ASP A 381 5.798 -6.086 -0.710 1.00 3.64 C ATOM 264 C ASP A 381 5.004 -6.606 0.485 1.00 3.40 C ATOM 265 O ASP A 381 5.263 -7.686 1.015 1.00 3.81 O ATOM 266 CB ASP A 381 7.215 -6.674 -0.725 1.00 4.29 C ATOM 267 CG ASP A 381 7.227 -8.165 -1.011 1.00 4.85 C ATOM 268 OD1 ASP A 381 6.711 -8.579 -2.073 1.00 4.47 O ATOM 269 OD2 ASP A 381 7.756 -8.933 -0.179 1.00 5.79 O ATOM 0 H ASP A 381 5.471 -4.202 -1.563 1.00 3.16 H new ATOM 0 HA ASP A 381 5.301 -6.410 -1.624 1.00 3.64 H new ATOM 0 HB2 ASP A 381 7.810 -6.159 -1.479 1.00 4.29 H new ATOM 0 HB3 ASP A 381 7.691 -6.489 0.238 1.00 4.29 H new ATOM 274 N ARG A 382 4.022 -5.822 0.899 1.00 2.80 N ATOM 275 CA ARG A 382 3.159 -6.177 2.010 1.00 2.63 C ATOM 276 C ARG A 382 1.888 -5.350 1.945 1.00 2.07 C ATOM 277 O ARG A 382 1.858 -4.294 1.306 1.00 1.71 O ATOM 278 CB ARG A 382 3.872 -5.972 3.354 1.00 2.81 C ATOM 279 CG ARG A 382 4.295 -4.541 3.636 1.00 2.50 C ATOM 280 CD ARG A 382 5.031 -4.446 4.960 1.00 2.97 C ATOM 281 NE ARG A 382 5.555 -3.109 5.222 1.00 3.24 N ATOM 282 CZ ARG A 382 5.805 -2.639 6.442 1.00 3.71 C ATOM 283 NH1 ARG A 382 5.547 -3.384 7.512 1.00 3.88 N ATOM 284 NH2 ARG A 382 6.321 -1.425 6.589 1.00 4.27 N ATOM 0 H ARG A 382 3.802 -4.922 0.473 1.00 2.80 H new ATOM 0 HA ARG A 382 2.905 -7.234 1.933 1.00 2.63 H new ATOM 0 HB2 ARG A 382 3.212 -6.306 4.155 1.00 2.81 H new ATOM 0 HB3 ARG A 382 4.755 -6.610 3.382 1.00 2.81 H new ATOM 0 HG2 ARG A 382 4.937 -4.182 2.832 1.00 2.50 H new ATOM 0 HG3 ARG A 382 3.417 -3.895 3.656 1.00 2.50 H new ATOM 0 HD2 ARG A 382 4.356 -4.731 5.767 1.00 2.97 H new ATOM 0 HD3 ARG A 382 5.854 -5.161 4.965 1.00 2.97 H new ATOM 0 HE ARG A 382 5.740 -2.500 4.425 1.00 3.24 H new ATOM 0 HH11 ARG A 382 5.156 -4.319 7.400 1.00 3.88 H new ATOM 0 HH12 ARG A 382 5.740 -3.020 8.445 1.00 3.88 H new ATOM 0 HH21 ARG A 382 6.525 -0.855 5.768 1.00 4.27 H new ATOM 0 HH22 ARG A 382 6.514 -1.062 7.523 1.00 4.27 H new ATOM 298 N ALA A 383 0.842 -5.832 2.588 1.00 2.12 N ATOM 299 CA ALA A 383 -0.455 -5.192 2.502 1.00 1.86 C ATOM 300 C ALA A 383 -0.649 -4.177 3.611 1.00 1.87 C ATOM 301 O ALA A 383 0.056 -4.191 4.620 1.00 2.20 O ATOM 302 CB ALA A 383 -1.560 -6.234 2.534 1.00 2.24 C ATOM 0 H ALA A 383 0.866 -6.665 3.176 1.00 2.12 H new ATOM 0 HA ALA A 383 -0.502 -4.657 1.553 1.00 1.86 H new ATOM 0 HB1 ALA A 383 -2.529 -5.739 2.469 1.00 2.24 H new ATOM 0 HB2 ALA A 383 -1.443 -6.915 1.691 1.00 2.24 H new ATOM 0 HB3 ALA A 383 -1.502 -6.797 3.466 1.00 2.24 H new ATOM 308 N TYR A 384 -1.600 -3.289 3.390 1.00 1.86 N ATOM 309 CA TYR A 384 -1.936 -2.246 4.339 1.00 2.28 C ATOM 310 C TYR A 384 -3.431 -2.281 4.636 1.00 2.69 C ATOM 311 O TYR A 384 -4.213 -2.836 3.858 1.00 2.63 O ATOM 312 CB TYR A 384 -1.543 -0.881 3.765 1.00 2.27 C ATOM 313 CG TYR A 384 -0.084 -0.527 3.956 1.00 2.04 C ATOM 314 CD1 TYR A 384 0.917 -1.164 3.230 1.00 2.37 C ATOM 315 CD2 TYR A 384 0.290 0.451 4.865 1.00 2.15 C ATOM 316 CE1 TYR A 384 2.247 -0.836 3.411 1.00 2.31 C ATOM 317 CE2 TYR A 384 1.616 0.785 5.050 1.00 2.34 C ATOM 318 CZ TYR A 384 2.591 0.140 4.323 1.00 2.17 C ATOM 319 OH TYR A 384 3.917 0.475 4.504 1.00 2.46 O ATOM 0 H TYR A 384 -2.165 -3.272 2.541 1.00 1.86 H new ATOM 0 HA TYR A 384 -1.389 -2.411 5.267 1.00 2.28 H new ATOM 0 HB2 TYR A 384 -1.773 -0.867 2.700 1.00 2.27 H new ATOM 0 HB3 TYR A 384 -2.157 -0.112 4.233 1.00 2.27 H new ATOM 0 HD1 TYR A 384 0.650 -1.927 2.514 1.00 2.37 H new ATOM 0 HD2 TYR A 384 -0.470 0.960 5.439 1.00 2.15 H new ATOM 0 HE1 TYR A 384 3.013 -1.341 2.841 1.00 2.31 H new ATOM 0 HE2 TYR A 384 1.888 1.550 5.763 1.00 2.34 H new ATOM 0 HH TYR A 384 4.407 0.333 3.667 1.00 2.46 H new ATOM 329 N PRO A 385 -3.846 -1.698 5.777 1.00 3.25 N ATOM 330 CA PRO A 385 -5.264 -1.611 6.171 1.00 3.72 C ATOM 331 C PRO A 385 -6.062 -0.664 5.277 1.00 3.86 C ATOM 332 O PRO A 385 -7.263 -0.472 5.466 1.00 4.19 O ATOM 333 CB PRO A 385 -5.200 -1.059 7.599 1.00 4.33 C ATOM 334 CG PRO A 385 -3.909 -0.324 7.665 1.00 4.36 C ATOM 335 CD PRO A 385 -2.960 -1.096 6.794 1.00 3.62 C ATOM 0 HA PRO A 385 -5.767 -2.574 6.088 1.00 3.72 H new ATOM 0 HB2 PRO A 385 -6.042 -0.399 7.806 1.00 4.33 H new ATOM 0 HB3 PRO A 385 -5.236 -1.862 8.335 1.00 4.33 H new ATOM 0 HG2 PRO A 385 -4.022 0.700 7.310 1.00 4.36 H new ATOM 0 HG3 PRO A 385 -3.542 -0.267 8.690 1.00 4.36 H new ATOM 0 HD2 PRO A 385 -2.211 -0.447 6.341 1.00 3.62 H new ATOM 0 HD3 PRO A 385 -2.422 -1.857 7.360 1.00 3.62 H new ATOM 343 N SER A 386 -5.373 -0.076 4.314 1.00 3.73 N ATOM 344 CA SER A 386 -5.965 0.840 3.357 1.00 3.96 C ATOM 345 C SER A 386 -4.938 1.090 2.259 1.00 3.45 C ATOM 346 O SER A 386 -3.964 0.344 2.158 1.00 2.87 O ATOM 347 CB SER A 386 -6.363 2.151 4.048 1.00 4.60 C ATOM 348 OG SER A 386 -7.137 2.977 3.194 1.00 5.22 O ATOM 0 H SER A 386 -4.374 -0.224 4.174 1.00 3.73 H new ATOM 0 HA SER A 386 -6.872 0.413 2.928 1.00 3.96 H new ATOM 0 HB2 SER A 386 -6.930 1.929 4.952 1.00 4.60 H new ATOM 0 HB3 SER A 386 -5.466 2.687 4.358 1.00 4.60 H new ATOM 0 HG SER A 386 -6.622 3.777 2.958 1.00 5.22 H new ATOM 354 N ASP A 387 -5.139 2.111 1.442 1.00 3.74 N ATOM 355 CA ASP A 387 -4.138 2.479 0.448 1.00 3.41 C ATOM 356 C ASP A 387 -2.864 2.903 1.158 1.00 3.00 C ATOM 357 O ASP A 387 -2.919 3.579 2.188 1.00 3.29 O ATOM 358 CB ASP A 387 -4.631 3.616 -0.451 1.00 3.99 C ATOM 359 CG ASP A 387 -5.778 3.201 -1.347 1.00 4.53 C ATOM 360 OD1 ASP A 387 -5.531 2.505 -2.353 1.00 5.09 O ATOM 361 OD2 ASP A 387 -6.931 3.588 -1.063 1.00 4.59 O ATOM 0 H ASP A 387 -5.975 2.695 1.444 1.00 3.74 H new ATOM 0 HA ASP A 387 -3.947 1.613 -0.185 1.00 3.41 H new ATOM 0 HB2 ASP A 387 -4.947 4.454 0.171 1.00 3.99 H new ATOM 0 HB3 ASP A 387 -3.805 3.970 -1.067 1.00 3.99 H new ATOM 366 N CYS A 388 -1.721 2.493 0.630 1.00 2.47 N ATOM 367 CA CYS A 388 -0.451 2.817 1.250 1.00 2.15 C ATOM 368 C CYS A 388 -0.242 4.327 1.244 1.00 2.66 C ATOM 369 O CYS A 388 -0.315 4.966 0.197 1.00 2.92 O ATOM 370 CB CYS A 388 0.702 2.113 0.530 1.00 1.60 C ATOM 371 SG CYS A 388 2.287 2.258 1.385 1.00 1.51 S ATOM 0 H CYS A 388 -1.649 1.938 -0.223 1.00 2.47 H new ATOM 0 HA CYS A 388 -0.467 2.466 2.282 1.00 2.15 H new ATOM 0 HB2 CYS A 388 0.456 1.057 0.415 1.00 1.60 H new ATOM 0 HB3 CYS A 388 0.801 2.529 -0.473 1.00 1.60 H new ATOM 376 N PRO A 389 0.035 4.911 2.418 1.00 2.96 N ATOM 377 CA PRO A 389 0.135 6.368 2.587 1.00 3.57 C ATOM 378 C PRO A 389 1.307 6.984 1.823 1.00 3.52 C ATOM 379 O PRO A 389 1.464 8.205 1.790 1.00 4.04 O ATOM 380 CB PRO A 389 0.336 6.536 4.096 1.00 3.90 C ATOM 381 CG PRO A 389 0.907 5.240 4.551 1.00 3.60 C ATOM 382 CD PRO A 389 0.274 4.194 3.684 1.00 2.92 C ATOM 0 HA PRO A 389 -0.746 6.876 2.194 1.00 3.57 H new ATOM 0 HB2 PRO A 389 1.010 7.364 4.315 1.00 3.90 H new ATOM 0 HB3 PRO A 389 -0.607 6.751 4.599 1.00 3.90 H new ATOM 0 HG2 PRO A 389 1.992 5.232 4.447 1.00 3.60 H new ATOM 0 HG3 PRO A 389 0.687 5.063 5.604 1.00 3.60 H new ATOM 0 HD2 PRO A 389 0.930 3.335 3.543 1.00 2.92 H new ATOM 0 HD3 PRO A 389 -0.654 3.819 4.116 1.00 2.92 H new ATOM 390 N GLU A 390 2.131 6.143 1.214 1.00 3.00 N ATOM 391 CA GLU A 390 3.289 6.626 0.479 1.00 3.02 C ATOM 392 C GLU A 390 3.261 6.174 -0.979 1.00 2.79 C ATOM 393 O GLU A 390 3.722 6.893 -1.862 1.00 3.12 O ATOM 394 CB GLU A 390 4.574 6.145 1.148 1.00 2.87 C ATOM 395 CG GLU A 390 4.673 6.541 2.611 1.00 3.42 C ATOM 396 CD GLU A 390 5.983 6.130 3.241 1.00 3.53 C ATOM 397 OE1 GLU A 390 6.159 4.930 3.532 1.00 3.63 O ATOM 398 OE2 GLU A 390 6.839 7.007 3.461 1.00 3.98 O ATOM 0 H GLU A 390 2.020 5.129 1.214 1.00 3.00 H new ATOM 0 HA GLU A 390 3.258 7.715 0.492 1.00 3.02 H new ATOM 0 HB2 GLU A 390 4.633 5.060 1.068 1.00 2.87 H new ATOM 0 HB3 GLU A 390 5.430 6.552 0.610 1.00 2.87 H new ATOM 0 HG2 GLU A 390 4.556 7.621 2.699 1.00 3.42 H new ATOM 0 HG3 GLU A 390 3.851 6.085 3.163 1.00 3.42 H new ATOM 405 N HIS A 391 2.706 4.996 -1.235 1.00 2.46 N ATOM 406 CA HIS A 391 2.779 4.404 -2.570 1.00 2.55 C ATOM 407 C HIS A 391 1.396 4.208 -3.177 1.00 2.98 C ATOM 408 O HIS A 391 1.265 3.738 -4.307 1.00 3.51 O ATOM 409 CB HIS A 391 3.505 3.060 -2.514 1.00 2.20 C ATOM 410 CG HIS A 391 4.856 3.126 -1.868 1.00 2.05 C ATOM 411 ND1 HIS A 391 5.108 2.489 -0.681 1.00 1.77 N ATOM 412 CD2 HIS A 391 5.987 3.744 -2.286 1.00 2.40 C ATOM 413 CE1 HIS A 391 6.376 2.727 -0.400 1.00 2.10 C ATOM 414 NE2 HIS A 391 6.950 3.485 -1.346 1.00 2.43 N ATOM 0 H HIS A 391 2.205 4.435 -0.546 1.00 2.46 H new ATOM 0 HA HIS A 391 3.334 5.097 -3.203 1.00 2.55 H new ATOM 0 HB2 HIS A 391 2.887 2.347 -1.969 1.00 2.20 H new ATOM 0 HB3 HIS A 391 3.616 2.676 -3.528 1.00 2.20 H new ATOM 0 HD2 HIS A 391 6.107 4.328 -3.186 1.00 2.40 H new ATOM 0 HE1 HIS A 391 6.885 2.359 0.478 1.00 2.10 H new ATOM 0 HE2 HIS A 391 7.918 3.807 -1.363 1.00 2.43 H new ATOM 422 N GLY A 392 0.367 4.562 -2.429 1.00 2.94 N ATOM 423 CA GLY A 392 -0.988 4.395 -2.911 1.00 3.41 C ATOM 424 C GLY A 392 -1.575 5.698 -3.402 1.00 3.36 C ATOM 425 O GLY A 392 -0.876 6.714 -3.444 1.00 3.30 O ATOM 0 H GLY A 392 0.444 4.963 -1.494 1.00 2.94 H new ATOM 0 HA2 GLY A 392 -0.998 3.664 -3.720 1.00 3.41 H new ATOM 0 HA3 GLY A 392 -1.611 3.994 -2.111 1.00 3.41 H new ATOM 429 N PRO A 393 -2.850 5.696 -3.809 1.00 3.77 N ATOM 430 CA PRO A 393 -3.569 6.916 -4.173 1.00 4.00 C ATOM 431 C PRO A 393 -3.846 7.779 -2.946 1.00 3.65 C ATOM 432 O PRO A 393 -4.943 7.760 -2.387 1.00 3.97 O ATOM 433 CB PRO A 393 -4.885 6.406 -4.783 1.00 4.78 C ATOM 434 CG PRO A 393 -4.682 4.944 -5.005 1.00 5.05 C ATOM 435 CD PRO A 393 -3.688 4.504 -3.975 1.00 4.39 C ATOM 0 HA PRO A 393 -2.999 7.543 -4.859 1.00 4.00 H new ATOM 0 HB2 PRO A 393 -5.725 6.588 -4.112 1.00 4.78 H new ATOM 0 HB3 PRO A 393 -5.108 6.918 -5.719 1.00 4.78 H new ATOM 0 HG2 PRO A 393 -5.620 4.399 -4.899 1.00 5.05 H new ATOM 0 HG3 PRO A 393 -4.312 4.750 -6.012 1.00 5.05 H new ATOM 0 HD2 PRO A 393 -4.172 4.216 -3.042 1.00 4.39 H new ATOM 0 HD3 PRO A 393 -3.108 3.645 -4.312 1.00 4.39 H new ATOM 443 N VAL A 394 -2.833 8.524 -2.530 1.00 3.51 N ATOM 444 CA VAL A 394 -2.919 9.349 -1.337 1.00 3.72 C ATOM 445 C VAL A 394 -3.774 10.581 -1.598 1.00 3.98 C ATOM 446 O VAL A 394 -3.275 11.622 -2.027 1.00 4.76 O ATOM 447 CB VAL A 394 -1.518 9.787 -0.854 1.00 4.22 C ATOM 448 CG1 VAL A 394 -1.607 10.512 0.479 1.00 4.46 C ATOM 449 CG2 VAL A 394 -0.587 8.590 -0.754 1.00 4.69 C ATOM 0 H VAL A 394 -1.933 8.573 -3.008 1.00 3.51 H new ATOM 0 HA VAL A 394 -3.383 8.746 -0.556 1.00 3.72 H new ATOM 0 HB VAL A 394 -1.107 10.480 -1.589 1.00 4.22 H new ATOM 0 HG11 VAL A 394 -0.608 10.810 0.798 1.00 4.46 H new ATOM 0 HG12 VAL A 394 -2.233 11.398 0.370 1.00 4.46 H new ATOM 0 HG13 VAL A 394 -2.043 9.849 1.226 1.00 4.46 H new ATOM 0 HG21 VAL A 394 0.394 8.920 -0.412 1.00 4.69 H new ATOM 0 HG22 VAL A 394 -0.995 7.870 -0.045 1.00 4.69 H new ATOM 0 HG23 VAL A 394 -0.491 8.121 -1.733 1.00 4.69 H new ATOM 459 N THR A 395 -5.067 10.453 -1.361 1.00 3.71 N ATOM 460 CA THR A 395 -5.984 11.561 -1.539 1.00 4.37 C ATOM 461 C THR A 395 -6.034 12.407 -0.271 1.00 4.14 C ATOM 462 O THR A 395 -6.318 11.892 0.813 1.00 4.55 O ATOM 463 CB THR A 395 -7.395 11.049 -1.884 1.00 4.99 C ATOM 464 OG1 THR A 395 -7.309 10.090 -2.949 1.00 5.13 O ATOM 465 CG2 THR A 395 -8.305 12.195 -2.304 1.00 5.72 C ATOM 0 H THR A 395 -5.506 9.589 -1.044 1.00 3.71 H new ATOM 0 HA THR A 395 -5.626 12.175 -2.366 1.00 4.37 H new ATOM 0 HB THR A 395 -7.819 10.582 -0.995 1.00 4.99 H new ATOM 0 HG1 THR A 395 -8.206 9.763 -3.168 1.00 5.13 H new ATOM 0 HG21 THR A 395 -9.295 11.805 -2.542 1.00 5.72 H new ATOM 0 HG22 THR A 395 -8.385 12.914 -1.489 1.00 5.72 H new ATOM 0 HG23 THR A 395 -7.888 12.687 -3.183 1.00 5.72 H new ATOM 473 N PHE A 396 -5.722 13.692 -0.402 1.00 3.97 N ATOM 474 CA PHE A 396 -5.749 14.594 0.739 1.00 4.15 C ATOM 475 C PHE A 396 -7.181 14.783 1.225 1.00 4.04 C ATOM 476 O PHE A 396 -8.128 14.709 0.439 1.00 4.16 O ATOM 477 CB PHE A 396 -5.118 15.948 0.383 1.00 4.81 C ATOM 478 CG PHE A 396 -5.918 16.767 -0.593 1.00 5.16 C ATOM 479 CD1 PHE A 396 -5.761 16.599 -1.958 1.00 5.72 C ATOM 480 CD2 PHE A 396 -6.826 17.711 -0.139 1.00 5.38 C ATOM 481 CE1 PHE A 396 -6.495 17.353 -2.853 1.00 6.40 C ATOM 482 CE2 PHE A 396 -7.563 18.467 -1.026 1.00 6.07 C ATOM 483 CZ PHE A 396 -7.398 18.288 -2.384 1.00 6.54 C ATOM 0 H PHE A 396 -5.449 14.129 -1.283 1.00 3.97 H new ATOM 0 HA PHE A 396 -5.161 14.150 1.542 1.00 4.15 H new ATOM 0 HB2 PHE A 396 -4.983 16.525 1.298 1.00 4.81 H new ATOM 0 HB3 PHE A 396 -4.126 15.775 -0.034 1.00 4.81 H new ATOM 0 HD1 PHE A 396 -5.056 15.869 -2.328 1.00 5.72 H new ATOM 0 HD2 PHE A 396 -6.958 17.856 0.923 1.00 5.38 H new ATOM 0 HE1 PHE A 396 -6.364 17.212 -3.916 1.00 6.40 H new ATOM 0 HE2 PHE A 396 -8.268 19.198 -0.658 1.00 6.07 H new ATOM 0 HZ PHE A 396 -7.975 18.879 -3.081 1.00 6.54 H new ATOM 493 N VAL A 397 -7.333 15.018 2.517 1.00 4.36 N ATOM 494 CA VAL A 397 -8.646 15.168 3.121 1.00 4.90 C ATOM 495 C VAL A 397 -8.896 16.624 3.507 1.00 5.50 C ATOM 496 O VAL A 397 -8.471 17.069 4.574 1.00 5.82 O ATOM 497 CB VAL A 397 -8.781 14.277 4.379 1.00 5.50 C ATOM 498 CG1 VAL A 397 -10.176 14.380 4.976 1.00 5.77 C ATOM 499 CG2 VAL A 397 -8.445 12.830 4.050 1.00 6.17 C ATOM 0 H VAL A 397 -6.557 15.110 3.172 1.00 4.36 H new ATOM 0 HA VAL A 397 -9.386 14.857 2.384 1.00 4.90 H new ATOM 0 HB VAL A 397 -8.070 14.636 5.123 1.00 5.50 H new ATOM 0 HG11 VAL A 397 -10.242 13.744 5.858 1.00 5.77 H new ATOM 0 HG12 VAL A 397 -10.376 15.414 5.258 1.00 5.77 H new ATOM 0 HG13 VAL A 397 -10.912 14.057 4.240 1.00 5.77 H new ATOM 0 HG21 VAL A 397 -8.546 12.220 4.948 1.00 6.17 H new ATOM 0 HG22 VAL A 397 -9.128 12.463 3.283 1.00 6.17 H new ATOM 0 HG23 VAL A 397 -7.420 12.769 3.683 1.00 6.17 H new ATOM 509 N PRO A 398 -9.579 17.395 2.643 1.00 5.97 N ATOM 510 CA PRO A 398 -9.905 18.791 2.936 1.00 6.86 C ATOM 511 C PRO A 398 -10.991 18.896 3.999 1.00 7.67 C ATOM 512 O PRO A 398 -11.053 19.866 4.756 1.00 8.36 O ATOM 513 CB PRO A 398 -10.404 19.332 1.597 1.00 7.35 C ATOM 514 CG PRO A 398 -10.924 18.138 0.875 1.00 6.95 C ATOM 515 CD PRO A 398 -10.086 16.973 1.326 1.00 6.01 C ATOM 0 HA PRO A 398 -9.053 19.345 3.331 1.00 6.86 H new ATOM 0 HB2 PRO A 398 -11.184 20.080 1.738 1.00 7.35 H new ATOM 0 HB3 PRO A 398 -9.600 19.812 1.040 1.00 7.35 H new ATOM 0 HG2 PRO A 398 -11.976 17.972 1.106 1.00 6.95 H new ATOM 0 HG3 PRO A 398 -10.852 18.274 -0.204 1.00 6.95 H new ATOM 0 HD2 PRO A 398 -10.676 16.060 1.398 1.00 6.01 H new ATOM 0 HD3 PRO A 398 -9.272 16.772 0.629 1.00 6.01 H new ATOM 523 N ASP A 399 -11.834 17.863 4.032 1.00 7.83 N ATOM 524 CA ASP A 399 -12.899 17.710 5.020 1.00 8.78 C ATOM 525 C ASP A 399 -13.888 18.871 4.980 1.00 9.15 C ATOM 526 O ASP A 399 -14.837 18.853 4.198 1.00 9.38 O ATOM 527 CB ASP A 399 -12.318 17.532 6.428 1.00 9.18 C ATOM 528 CG ASP A 399 -13.365 17.108 7.436 1.00 9.69 C ATOM 529 OD1 ASP A 399 -13.738 15.916 7.443 1.00 9.49 O ATOM 530 OD2 ASP A 399 -13.810 17.962 8.230 1.00 10.47 O ATOM 0 H ASP A 399 -11.794 17.096 3.360 1.00 7.83 H new ATOM 0 HA ASP A 399 -13.452 16.808 4.760 1.00 8.78 H new ATOM 0 HB2 ASP A 399 -11.523 16.786 6.398 1.00 9.18 H new ATOM 0 HB3 ASP A 399 -11.864 18.469 6.752 1.00 9.18 H new ATOM 535 N THR A 400 -13.649 19.886 5.795 1.00 9.46 N ATOM 536 CA THR A 400 -14.545 21.025 5.890 1.00 10.09 C ATOM 537 C THR A 400 -13.750 22.304 6.136 1.00 10.99 C ATOM 538 O THR A 400 -12.747 22.289 6.851 1.00 11.20 O ATOM 539 CB THR A 400 -15.569 20.832 7.029 1.00 10.16 C ATOM 540 OG1 THR A 400 -14.914 20.310 8.191 1.00 9.95 O ATOM 541 CG2 THR A 400 -16.697 19.898 6.614 1.00 10.17 C ATOM 0 H THR A 400 -12.834 19.943 6.405 1.00 9.46 H new ATOM 0 HA THR A 400 -15.083 21.106 4.945 1.00 10.09 H new ATOM 0 HB THR A 400 -16.002 21.806 7.256 1.00 10.16 H new ATOM 0 HG1 THR A 400 -14.781 19.345 8.086 1.00 9.95 H new ATOM 0 HG21 THR A 400 -17.399 19.785 7.440 1.00 10.17 H new ATOM 0 HG22 THR A 400 -17.216 20.315 5.751 1.00 10.17 H new ATOM 0 HG23 THR A 400 -16.285 18.923 6.353 1.00 10.17 H new ATOM 549 N PRO A 401 -14.176 23.426 5.528 1.00 11.70 N ATOM 550 CA PRO A 401 -13.493 24.716 5.673 1.00 12.73 C ATOM 551 C PRO A 401 -13.713 25.347 7.044 1.00 13.37 C ATOM 552 O PRO A 401 -12.997 26.269 7.435 1.00 13.87 O ATOM 553 CB PRO A 401 -14.129 25.579 4.580 1.00 13.30 C ATOM 554 CG PRO A 401 -15.485 24.998 4.385 1.00 12.82 C ATOM 555 CD PRO A 401 -15.344 23.520 4.631 1.00 11.73 C ATOM 0 HA PRO A 401 -12.412 24.613 5.582 1.00 12.73 H new ATOM 0 HB2 PRO A 401 -14.185 26.625 4.883 1.00 13.30 H new ATOM 0 HB3 PRO A 401 -13.547 25.545 3.659 1.00 13.30 H new ATOM 0 HG2 PRO A 401 -16.202 25.442 5.076 1.00 12.82 H new ATOM 0 HG3 PRO A 401 -15.851 25.192 3.377 1.00 12.82 H new ATOM 0 HD2 PRO A 401 -16.239 23.104 5.093 1.00 11.73 H new ATOM 0 HD3 PRO A 401 -15.181 22.973 3.702 1.00 11.73 H new ATOM 563 N ILE A 402 -14.705 24.850 7.768 1.00 13.49 N ATOM 564 CA ILE A 402 -15.013 25.358 9.093 1.00 14.27 C ATOM 565 C ILE A 402 -14.929 24.227 10.109 1.00 14.82 C ATOM 566 O ILE A 402 -13.873 24.078 10.754 1.00 15.17 O ATOM 567 CB ILE A 402 -16.418 25.999 9.154 1.00 14.27 C ATOM 568 CG1 ILE A 402 -16.572 27.062 8.060 1.00 14.67 C ATOM 569 CG2 ILE A 402 -16.664 26.612 10.527 1.00 14.20 C ATOM 570 CD1 ILE A 402 -17.954 27.676 7.998 1.00 15.06 C ATOM 571 OXT ILE A 402 -15.912 23.471 10.238 1.00 15.02 O ATOM 0 H ILE A 402 -15.312 24.092 7.457 1.00 13.49 H new ATOM 0 HA ILE A 402 -14.281 26.131 9.328 1.00 14.27 H new ATOM 0 HB ILE A 402 -17.160 25.219 8.984 1.00 14.27 H new ATOM 0 HG12 ILE A 402 -15.840 27.852 8.228 1.00 14.67 H new ATOM 0 HG13 ILE A 402 -16.340 26.613 7.094 1.00 14.67 H new ATOM 0 HG21 ILE A 402 -17.658 27.059 10.553 1.00 14.20 H new ATOM 0 HG22 ILE A 402 -16.595 25.836 11.290 1.00 14.20 H new ATOM 0 HG23 ILE A 402 -15.915 27.380 10.722 1.00 14.20 H new ATOM 0 HD11 ILE A 402 -17.987 28.419 7.201 1.00 15.06 H new ATOM 0 HD12 ILE A 402 -18.690 26.897 7.799 1.00 15.06 H new ATOM 0 HD13 ILE A 402 -18.182 28.155 8.950 1.00 15.06 H new TER 583 ILE A 402 HETATM 584 ZN ZN A 403 3.925 1.150 0.209 1.00 1.27 ZN