USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=10 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 -32:sc= 0.421 USER MOD Single : A 366 LYS NZ :NH3+ 170:sc= -0.0274 (180deg=-0.166) USER MOD Single : A 368 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 369 MET CE :methyl 160:sc= -0.102 (180deg=-0.635) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0.00258 USER MOD Single : A 374 THR OG1 : rot 180:sc= 0.00404 USER MOD Single : A 378 THR OG1 : rot 180:sc= 0.0036 USER MOD Single : A 384 TYR OH : rot 180:sc= -0.0396 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 395 THR OG1 : rot 180:sc= 0.00852 USER MOD Single : A 400 THR OG1 : rot 180:sc= 0.0215 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 -3.794 -5.167 17.274 1.00 10.97 N ATOM 2 CA GLY A 364 -4.299 -6.395 17.933 1.00 10.49 C ATOM 3 C GLY A 364 -5.464 -6.994 17.176 1.00 9.66 C ATOM 4 O GLY A 364 -5.772 -6.563 16.065 1.00 9.60 O ATOM 0 HA2 GLY A 364 -3.495 -7.128 18.004 1.00 10.49 H new ATOM 0 HA3 GLY A 364 -4.608 -6.161 18.952 1.00 10.49 H new ATOM 10 N SER A 365 -6.114 -7.982 17.771 1.00 9.23 N ATOM 11 CA SER A 365 -7.260 -8.627 17.149 1.00 8.58 C ATOM 12 C SER A 365 -8.555 -7.942 17.587 1.00 8.19 C ATOM 13 O SER A 365 -9.655 -8.349 17.205 1.00 8.25 O ATOM 14 CB SER A 365 -7.283 -10.119 17.509 1.00 8.72 C ATOM 15 OG SER A 365 -8.300 -10.812 16.801 1.00 9.06 O ATOM 0 H SER A 365 -5.866 -8.356 18.687 1.00 9.23 H new ATOM 0 HA SER A 365 -7.175 -8.535 16.066 1.00 8.58 H new ATOM 0 HB2 SER A 365 -6.314 -10.563 17.283 1.00 8.72 H new ATOM 0 HB3 SER A 365 -7.443 -10.233 18.581 1.00 8.72 H new ATOM 0 HG SER A 365 -9.058 -10.211 16.645 1.00 9.06 H new ATOM 21 N LYS A 366 -8.415 -6.898 18.390 1.00 8.06 N ATOM 22 CA LYS A 366 -9.559 -6.146 18.876 1.00 8.04 C ATOM 23 C LYS A 366 -9.255 -4.652 18.820 1.00 7.21 C ATOM 24 O LYS A 366 -8.117 -4.246 19.063 1.00 7.19 O ATOM 25 CB LYS A 366 -9.882 -6.566 20.313 1.00 9.14 C ATOM 26 CG LYS A 366 -11.222 -6.059 20.829 1.00 9.84 C ATOM 27 CD LYS A 366 -12.395 -6.683 20.080 1.00 10.55 C ATOM 28 CE LYS A 366 -12.450 -8.196 20.258 1.00 11.43 C ATOM 29 NZ LYS A 366 -12.607 -8.592 21.684 1.00 12.01 N ATOM 0 H LYS A 366 -7.514 -6.552 18.720 1.00 8.06 H new ATOM 0 HA LYS A 366 -10.423 -6.355 18.245 1.00 8.04 H new ATOM 0 HB2 LYS A 366 -9.872 -7.654 20.372 1.00 9.14 H new ATOM 0 HB3 LYS A 366 -9.092 -6.204 20.971 1.00 9.14 H new ATOM 0 HG2 LYS A 366 -11.310 -6.284 21.892 1.00 9.84 H new ATOM 0 HG3 LYS A 366 -11.263 -4.974 20.728 1.00 9.84 H new ATOM 0 HD2 LYS A 366 -13.327 -6.243 20.435 1.00 10.55 H new ATOM 0 HD3 LYS A 366 -12.314 -6.446 19.019 1.00 10.55 H new ATOM 0 HE2 LYS A 366 -13.281 -8.598 19.678 1.00 11.43 H new ATOM 0 HE3 LYS A 366 -11.538 -8.640 19.858 1.00 11.43 H new ATOM 0 HZ1 LYS A 366 -12.809 -9.611 21.741 1.00 12.01 H new ATOM 0 HZ2 LYS A 366 -11.729 -8.383 22.201 1.00 12.01 H new ATOM 0 HZ3 LYS A 366 -13.393 -8.059 22.108 1.00 12.01 H new ATOM 43 N GLU A 367 -10.271 -3.855 18.482 1.00 6.82 N ATOM 44 CA GLU A 367 -10.157 -2.396 18.407 1.00 6.33 C ATOM 45 C GLU A 367 -9.357 -1.947 17.185 1.00 5.49 C ATOM 46 O GLU A 367 -9.927 -1.420 16.229 1.00 5.33 O ATOM 47 CB GLU A 367 -9.546 -1.814 19.687 1.00 6.67 C ATOM 48 CG GLU A 367 -10.498 -1.814 20.869 1.00 7.76 C ATOM 49 CD GLU A 367 -11.702 -0.931 20.634 1.00 8.29 C ATOM 50 OE1 GLU A 367 -11.552 0.310 20.687 1.00 8.52 O ATOM 51 OE2 GLU A 367 -12.803 -1.467 20.395 1.00 8.69 O ATOM 0 H GLU A 367 -11.201 -4.205 18.251 1.00 6.82 H new ATOM 0 HA GLU A 367 -11.171 -2.009 18.303 1.00 6.33 H new ATOM 0 HB2 GLU A 367 -8.656 -2.387 19.948 1.00 6.67 H new ATOM 0 HB3 GLU A 367 -9.221 -0.792 19.493 1.00 6.67 H new ATOM 0 HG2 GLU A 367 -10.830 -2.833 21.065 1.00 7.76 H new ATOM 0 HG3 GLU A 367 -9.969 -1.474 21.759 1.00 7.76 H new ATOM 58 N ASN A 368 -8.049 -2.155 17.212 1.00 5.31 N ATOM 59 CA ASN A 368 -7.189 -1.719 16.123 1.00 4.94 C ATOM 60 C ASN A 368 -6.616 -2.913 15.374 1.00 4.43 C ATOM 61 O ASN A 368 -5.678 -3.564 15.839 1.00 4.57 O ATOM 62 CB ASN A 368 -6.058 -0.830 16.648 1.00 5.52 C ATOM 63 CG ASN A 368 -5.110 -0.380 15.549 1.00 5.70 C ATOM 64 OD1 ASN A 368 -4.082 -1.011 15.298 1.00 5.80 O ATOM 65 ND2 ASN A 368 -5.453 0.710 14.881 1.00 6.18 N ATOM 0 H ASN A 368 -7.561 -2.623 17.976 1.00 5.31 H new ATOM 0 HA ASN A 368 -7.795 -1.136 15.430 1.00 4.94 H new ATOM 0 HB2 ASN A 368 -6.486 0.046 17.135 1.00 5.52 H new ATOM 0 HB3 ASN A 368 -5.496 -1.374 17.407 1.00 5.52 H new ATOM 0 HD21 ASN A 368 -4.858 1.055 14.128 1.00 6.18 H new ATOM 0 HD22 ASN A 368 -6.313 1.205 15.119 1.00 6.18 H new ATOM 72 N MET A 369 -7.196 -3.204 14.222 1.00 4.24 N ATOM 73 CA MET A 369 -6.737 -4.304 13.389 1.00 4.21 C ATOM 74 C MET A 369 -5.966 -3.764 12.190 1.00 3.73 C ATOM 75 O MET A 369 -6.538 -3.481 11.136 1.00 3.81 O ATOM 76 CB MET A 369 -7.913 -5.170 12.920 1.00 4.95 C ATOM 77 CG MET A 369 -8.546 -6.016 14.020 1.00 5.74 C ATOM 78 SD MET A 369 -9.435 -5.049 15.259 1.00 6.64 S ATOM 79 CE MET A 369 -10.739 -4.329 14.264 1.00 6.99 C ATOM 0 H MET A 369 -7.990 -2.691 13.840 1.00 4.24 H new ATOM 0 HA MET A 369 -6.075 -4.931 13.986 1.00 4.21 H new ATOM 0 HB2 MET A 369 -8.677 -4.523 12.490 1.00 4.95 H new ATOM 0 HB3 MET A 369 -7.569 -5.829 12.123 1.00 4.95 H new ATOM 0 HG2 MET A 369 -9.234 -6.730 13.567 1.00 5.74 H new ATOM 0 HG3 MET A 369 -7.766 -6.595 14.515 1.00 5.74 H new ATOM 0 HE1 MET A 369 -11.556 -4.009 14.911 1.00 6.99 H new ATOM 0 HE2 MET A 369 -10.349 -3.469 13.720 1.00 6.99 H new ATOM 0 HE3 MET A 369 -11.107 -5.070 13.555 1.00 6.99 H new ATOM 89 N ALA A 370 -4.664 -3.609 12.366 1.00 3.73 N ATOM 90 CA ALA A 370 -3.803 -3.081 11.319 1.00 3.72 C ATOM 91 C ALA A 370 -3.268 -4.203 10.437 1.00 2.82 C ATOM 92 O ALA A 370 -2.632 -3.956 9.414 1.00 3.04 O ATOM 93 CB ALA A 370 -2.652 -2.297 11.933 1.00 4.68 C ATOM 0 H ALA A 370 -4.177 -3.843 13.231 1.00 3.73 H new ATOM 0 HA ALA A 370 -4.394 -2.411 10.695 1.00 3.72 H new ATOM 0 HB1 ALA A 370 -2.014 -1.906 11.140 1.00 4.68 H new ATOM 0 HB2 ALA A 370 -3.048 -1.469 12.521 1.00 4.68 H new ATOM 0 HB3 ALA A 370 -2.068 -2.953 12.578 1.00 4.68 H new ATOM 99 N THR A 371 -3.529 -5.437 10.842 1.00 2.51 N ATOM 100 CA THR A 371 -3.090 -6.594 10.084 1.00 2.38 C ATOM 101 C THR A 371 -4.142 -7.026 9.065 1.00 2.34 C ATOM 102 O THR A 371 -4.078 -8.130 8.519 1.00 2.92 O ATOM 103 CB THR A 371 -2.744 -7.766 11.012 1.00 3.20 C ATOM 104 OG1 THR A 371 -3.828 -8.017 11.912 1.00 3.73 O ATOM 105 CG2 THR A 371 -1.476 -7.477 11.801 1.00 3.91 C ATOM 0 H THR A 371 -4.044 -5.661 11.694 1.00 2.51 H new ATOM 0 HA THR A 371 -2.190 -6.301 9.544 1.00 2.38 H new ATOM 0 HB THR A 371 -2.575 -8.649 10.396 1.00 3.20 H new ATOM 0 HG1 THR A 371 -3.599 -8.768 12.499 1.00 3.73 H new ATOM 0 HG21 THR A 371 -1.252 -8.322 12.451 1.00 3.91 H new ATOM 0 HG22 THR A 371 -0.647 -7.319 11.112 1.00 3.91 H new ATOM 0 HG23 THR A 371 -1.620 -6.582 12.406 1.00 3.91 H new ATOM 113 N LEU A 372 -5.114 -6.152 8.818 1.00 2.45 N ATOM 114 CA LEU A 372 -6.098 -6.380 7.771 1.00 3.23 C ATOM 115 C LEU A 372 -5.467 -6.087 6.419 1.00 3.17 C ATOM 116 O LEU A 372 -5.590 -4.987 5.882 1.00 3.84 O ATOM 117 CB LEU A 372 -7.335 -5.503 7.978 1.00 4.21 C ATOM 118 CG LEU A 372 -8.145 -5.798 9.242 1.00 5.23 C ATOM 119 CD1 LEU A 372 -9.318 -4.839 9.355 1.00 5.79 C ATOM 120 CD2 LEU A 372 -8.637 -7.239 9.241 1.00 5.95 C ATOM 0 H LEU A 372 -5.239 -5.279 9.331 1.00 2.45 H new ATOM 0 HA LEU A 372 -6.418 -7.421 7.810 1.00 3.23 H new ATOM 0 HB2 LEU A 372 -7.020 -4.460 8.004 1.00 4.21 H new ATOM 0 HB3 LEU A 372 -7.989 -5.617 7.113 1.00 4.21 H new ATOM 0 HG LEU A 372 -7.495 -5.658 10.106 1.00 5.23 H new ATOM 0 HD11 LEU A 372 -9.884 -5.062 10.259 1.00 5.79 H new ATOM 0 HD12 LEU A 372 -8.948 -3.815 9.402 1.00 5.79 H new ATOM 0 HD13 LEU A 372 -9.965 -4.951 8.485 1.00 5.79 H new ATOM 0 HD21 LEU A 372 -9.211 -7.428 10.148 1.00 5.95 H new ATOM 0 HD22 LEU A 372 -9.270 -7.407 8.370 1.00 5.95 H new ATOM 0 HD23 LEU A 372 -7.783 -7.915 9.204 1.00 5.95 H new ATOM 132 N PHE A 373 -4.780 -7.080 5.885 1.00 2.73 N ATOM 133 CA PHE A 373 -4.008 -6.917 4.668 1.00 2.88 C ATOM 134 C PHE A 373 -4.902 -6.973 3.436 1.00 3.00 C ATOM 135 O PHE A 373 -5.035 -8.013 2.792 1.00 3.30 O ATOM 136 CB PHE A 373 -2.921 -7.991 4.599 1.00 3.13 C ATOM 137 CG PHE A 373 -1.923 -7.896 5.722 1.00 3.28 C ATOM 138 CD1 PHE A 373 -1.300 -6.696 6.013 1.00 3.36 C ATOM 139 CD2 PHE A 373 -1.605 -9.010 6.482 1.00 3.81 C ATOM 140 CE1 PHE A 373 -0.380 -6.607 7.038 1.00 3.64 C ATOM 141 CE2 PHE A 373 -0.686 -8.927 7.508 1.00 4.26 C ATOM 142 CZ PHE A 373 -0.093 -7.718 7.805 1.00 4.05 C ATOM 0 H PHE A 373 -4.742 -8.019 6.281 1.00 2.73 H new ATOM 0 HA PHE A 373 -3.536 -5.934 4.685 1.00 2.88 H new ATOM 0 HB2 PHE A 373 -3.389 -8.975 4.620 1.00 3.13 H new ATOM 0 HB3 PHE A 373 -2.397 -7.908 3.647 1.00 3.13 H new ATOM 0 HD1 PHE A 373 -1.536 -5.818 5.431 1.00 3.36 H new ATOM 0 HD2 PHE A 373 -2.082 -9.955 6.269 1.00 3.81 H new ATOM 0 HE1 PHE A 373 0.115 -5.669 7.240 1.00 3.64 H new ATOM 0 HE2 PHE A 373 -0.431 -9.808 8.078 1.00 4.26 H new ATOM 0 HZ PHE A 373 0.594 -7.641 8.635 1.00 4.05 H new ATOM 152 N THR A 374 -5.520 -5.845 3.124 1.00 3.03 N ATOM 153 CA THR A 374 -6.392 -5.745 1.968 1.00 3.49 C ATOM 154 C THR A 374 -5.678 -5.072 0.804 1.00 3.30 C ATOM 155 O THR A 374 -5.624 -5.608 -0.306 1.00 3.66 O ATOM 156 CB THR A 374 -7.674 -4.970 2.320 1.00 3.95 C ATOM 157 OG1 THR A 374 -7.344 -3.787 3.064 1.00 3.66 O ATOM 158 CG2 THR A 374 -8.618 -5.839 3.136 1.00 4.50 C ATOM 0 H THR A 374 -5.432 -4.982 3.660 1.00 3.03 H new ATOM 0 HA THR A 374 -6.665 -6.757 1.667 1.00 3.49 H new ATOM 0 HB THR A 374 -8.171 -4.688 1.392 1.00 3.95 H new ATOM 0 HG1 THR A 374 -8.165 -3.299 3.283 1.00 3.66 H new ATOM 0 HG21 THR A 374 -9.518 -5.273 3.375 1.00 4.50 H new ATOM 0 HG22 THR A 374 -8.888 -6.724 2.560 1.00 4.50 H new ATOM 0 HG23 THR A 374 -8.125 -6.144 4.059 1.00 4.50 H new ATOM 166 N ILE A 375 -5.119 -3.903 1.066 1.00 2.90 N ATOM 167 CA ILE A 375 -4.384 -3.163 0.052 1.00 2.78 C ATOM 168 C ILE A 375 -2.926 -3.599 0.042 1.00 2.33 C ATOM 169 O ILE A 375 -2.108 -3.080 0.804 1.00 1.93 O ATOM 170 CB ILE A 375 -4.451 -1.644 0.294 1.00 2.85 C ATOM 171 CG1 ILE A 375 -5.906 -1.175 0.387 1.00 3.47 C ATOM 172 CG2 ILE A 375 -3.714 -0.900 -0.814 1.00 2.84 C ATOM 173 CD1 ILE A 375 -6.669 -1.269 -0.914 1.00 3.98 C ATOM 0 H ILE A 375 -5.160 -3.444 1.976 1.00 2.90 H new ATOM 0 HA ILE A 375 -4.848 -3.380 -0.910 1.00 2.78 H new ATOM 0 HB ILE A 375 -3.963 -1.422 1.243 1.00 2.85 H new ATOM 0 HG12 ILE A 375 -6.421 -1.770 1.141 1.00 3.47 H new ATOM 0 HG13 ILE A 375 -5.922 -0.141 0.731 1.00 3.47 H new ATOM 0 HG21 ILE A 375 -3.769 0.173 -0.631 1.00 2.84 H new ATOM 0 HG22 ILE A 375 -2.670 -1.212 -0.830 1.00 2.84 H new ATOM 0 HG23 ILE A 375 -4.175 -1.128 -1.775 1.00 2.84 H new ATOM 0 HD11 ILE A 375 -7.690 -0.918 -0.763 1.00 3.98 H new ATOM 0 HD12 ILE A 375 -6.181 -0.651 -1.668 1.00 3.98 H new ATOM 0 HD13 ILE A 375 -6.687 -2.305 -1.251 1.00 3.98 H new ATOM 185 N TRP A 376 -2.608 -4.562 -0.806 1.00 2.60 N ATOM 186 CA TRP A 376 -1.252 -5.066 -0.890 1.00 2.50 C ATOM 187 C TRP A 376 -0.418 -4.176 -1.796 1.00 2.39 C ATOM 188 O TRP A 376 -0.570 -4.199 -3.018 1.00 2.84 O ATOM 189 CB TRP A 376 -1.226 -6.510 -1.406 1.00 3.11 C ATOM 190 CG TRP A 376 0.134 -7.139 -1.318 1.00 3.27 C ATOM 191 CD1 TRP A 376 1.164 -6.998 -2.205 1.00 3.53 C ATOM 192 CD2 TRP A 376 0.612 -8.003 -0.283 1.00 3.38 C ATOM 193 NE1 TRP A 376 2.254 -7.713 -1.781 1.00 3.79 N ATOM 194 CE2 TRP A 376 1.941 -8.341 -0.604 1.00 3.72 C ATOM 195 CE3 TRP A 376 0.049 -8.523 0.885 1.00 3.35 C ATOM 196 CZ2 TRP A 376 2.712 -9.174 0.201 1.00 4.05 C ATOM 197 CZ3 TRP A 376 0.816 -9.350 1.682 1.00 3.67 C ATOM 198 CH2 TRP A 376 2.135 -9.667 1.337 1.00 4.01 C ATOM 0 H TRP A 376 -3.269 -5.008 -1.443 1.00 2.60 H new ATOM 0 HA TRP A 376 -0.827 -5.057 0.114 1.00 2.50 H new ATOM 0 HB2 TRP A 376 -1.935 -7.108 -0.833 1.00 3.11 H new ATOM 0 HB3 TRP A 376 -1.561 -6.526 -2.443 1.00 3.11 H new ATOM 0 HD1 TRP A 376 1.125 -6.409 -3.109 1.00 3.53 H new ATOM 0 HE1 TRP A 376 3.151 -7.768 -2.263 1.00 3.79 H new ATOM 0 HE3 TRP A 376 -0.967 -8.283 1.160 1.00 3.35 H new ATOM 0 HZ2 TRP A 376 3.730 -9.422 -0.063 1.00 4.05 H new ATOM 0 HZ3 TRP A 376 0.391 -9.759 2.587 1.00 3.67 H new ATOM 0 HH2 TRP A 376 2.709 -10.315 1.983 1.00 4.01 H new ATOM 209 N CYS A 377 0.456 -3.387 -1.199 1.00 1.89 N ATOM 210 CA CYS A 377 1.355 -2.563 -1.974 1.00 1.87 C ATOM 211 C CYS A 377 2.555 -3.390 -2.402 1.00 2.35 C ATOM 212 O CYS A 377 3.423 -3.700 -1.588 1.00 2.34 O ATOM 213 CB CYS A 377 1.824 -1.346 -1.178 1.00 1.27 C ATOM 214 SG CYS A 377 2.900 -0.262 -2.141 1.00 1.50 S ATOM 0 H CYS A 377 0.560 -3.302 -0.188 1.00 1.89 H new ATOM 0 HA CYS A 377 0.818 -2.203 -2.851 1.00 1.87 H new ATOM 0 HB2 CYS A 377 0.956 -0.782 -0.838 1.00 1.27 H new ATOM 0 HB3 CYS A 377 2.355 -1.681 -0.287 1.00 1.27 H new ATOM 219 N THR A 378 2.591 -3.747 -3.678 1.00 2.94 N ATOM 220 CA THR A 378 3.673 -4.556 -4.217 1.00 3.52 C ATOM 221 C THR A 378 5.017 -3.847 -4.074 1.00 3.48 C ATOM 222 O THR A 378 6.035 -4.480 -3.805 1.00 3.86 O ATOM 223 CB THR A 378 3.422 -4.899 -5.697 1.00 4.16 C ATOM 224 OG1 THR A 378 3.040 -3.717 -6.412 1.00 4.33 O ATOM 225 CG2 THR A 378 2.333 -5.954 -5.831 1.00 4.41 C ATOM 0 H THR A 378 1.880 -3.487 -4.361 1.00 2.94 H new ATOM 0 HA THR A 378 3.703 -5.481 -3.641 1.00 3.52 H new ATOM 0 HB THR A 378 4.345 -5.298 -6.119 1.00 4.16 H new ATOM 0 HG1 THR A 378 2.883 -3.940 -7.353 1.00 4.33 H new ATOM 0 HG21 THR A 378 2.173 -6.180 -6.885 1.00 4.41 H new ATOM 0 HG22 THR A 378 2.638 -6.860 -5.308 1.00 4.41 H new ATOM 0 HG23 THR A 378 1.407 -5.578 -5.396 1.00 4.41 H new ATOM 233 N LEU A 379 5.004 -2.524 -4.224 1.00 3.11 N ATOM 234 CA LEU A 379 6.205 -1.721 -4.095 1.00 3.12 C ATOM 235 C LEU A 379 6.780 -1.811 -2.685 1.00 2.90 C ATOM 236 O LEU A 379 7.977 -1.633 -2.478 1.00 3.23 O ATOM 237 CB LEU A 379 5.894 -0.265 -4.430 1.00 2.85 C ATOM 238 CG LEU A 379 5.290 -0.009 -5.816 1.00 3.33 C ATOM 239 CD1 LEU A 379 5.946 -0.875 -6.876 1.00 3.73 C ATOM 240 CD2 LEU A 379 3.781 -0.196 -5.821 1.00 3.32 C ATOM 0 H LEU A 379 4.163 -1.987 -4.437 1.00 3.11 H new ATOM 0 HA LEU A 379 6.947 -2.108 -4.793 1.00 3.12 H new ATOM 0 HB2 LEU A 379 5.205 0.121 -3.678 1.00 2.85 H new ATOM 0 HB3 LEU A 379 6.815 0.312 -4.345 1.00 2.85 H new ATOM 0 HG LEU A 379 5.492 1.034 -6.061 1.00 3.33 H new ATOM 0 HD11 LEU A 379 5.494 -0.668 -7.846 1.00 3.73 H new ATOM 0 HD12 LEU A 379 7.012 -0.653 -6.918 1.00 3.73 H new ATOM 0 HD13 LEU A 379 5.803 -1.926 -6.626 1.00 3.73 H new ATOM 0 HD21 LEU A 379 3.394 -0.005 -6.822 1.00 3.32 H new ATOM 0 HD22 LEU A 379 3.540 -1.218 -5.528 1.00 3.32 H new ATOM 0 HD23 LEU A 379 3.326 0.501 -5.117 1.00 3.32 H new ATOM 252 N CYS A 380 5.920 -2.091 -1.718 1.00 2.49 N ATOM 253 CA CYS A 380 6.345 -2.187 -0.331 1.00 2.51 C ATOM 254 C CYS A 380 6.388 -3.640 0.139 1.00 2.94 C ATOM 255 O CYS A 380 6.818 -3.928 1.256 1.00 3.19 O ATOM 256 CB CYS A 380 5.413 -1.357 0.556 1.00 1.96 C ATOM 257 SG CYS A 380 5.639 0.425 0.379 1.00 1.82 S ATOM 0 H CYS A 380 4.925 -2.256 -1.868 1.00 2.49 H new ATOM 0 HA CYS A 380 7.357 -1.789 -0.253 1.00 2.51 H new ATOM 0 HB2 CYS A 380 4.380 -1.609 0.317 1.00 1.96 H new ATOM 0 HB3 CYS A 380 5.576 -1.633 1.598 1.00 1.96 H new ATOM 262 N ASP A 381 5.937 -4.543 -0.736 1.00 3.16 N ATOM 263 CA ASP A 381 5.872 -5.982 -0.453 1.00 3.64 C ATOM 264 C ASP A 381 5.089 -6.255 0.832 1.00 3.40 C ATOM 265 O ASP A 381 5.287 -7.266 1.505 1.00 3.81 O ATOM 266 CB ASP A 381 7.282 -6.586 -0.372 1.00 4.29 C ATOM 267 CG ASP A 381 7.273 -8.103 -0.423 1.00 4.85 C ATOM 268 OD1 ASP A 381 6.940 -8.662 -1.490 1.00 5.79 O ATOM 269 OD2 ASP A 381 7.596 -8.746 0.599 1.00 4.47 O ATOM 0 H ASP A 381 5.604 -4.296 -1.668 1.00 3.16 H new ATOM 0 HA ASP A 381 5.343 -6.462 -1.276 1.00 3.64 H new ATOM 0 HB2 ASP A 381 7.885 -6.202 -1.195 1.00 4.29 H new ATOM 0 HB3 ASP A 381 7.760 -6.260 0.552 1.00 4.29 H new ATOM 274 N ARG A 382 4.180 -5.348 1.152 1.00 2.80 N ATOM 275 CA ARG A 382 3.376 -5.458 2.356 1.00 2.63 C ATOM 276 C ARG A 382 2.043 -4.766 2.137 1.00 2.07 C ATOM 277 O ARG A 382 1.928 -3.870 1.296 1.00 1.71 O ATOM 278 CB ARG A 382 4.111 -4.849 3.557 1.00 2.81 C ATOM 279 CG ARG A 382 4.323 -3.347 3.457 1.00 2.50 C ATOM 280 CD ARG A 382 5.231 -2.831 4.562 1.00 2.97 C ATOM 281 NE ARG A 382 6.581 -3.382 4.458 1.00 3.24 N ATOM 282 CZ ARG A 382 7.635 -2.917 5.125 1.00 3.71 C ATOM 283 NH1 ARG A 382 7.501 -1.904 5.975 1.00 3.88 N ATOM 284 NH2 ARG A 382 8.823 -3.481 4.951 1.00 4.27 N ATOM 0 H ARG A 382 3.980 -4.521 0.589 1.00 2.80 H new ATOM 0 HA ARG A 382 3.201 -6.512 2.572 1.00 2.63 H new ATOM 0 HB2 ARG A 382 3.546 -5.066 4.464 1.00 2.81 H new ATOM 0 HB3 ARG A 382 5.081 -5.336 3.661 1.00 2.81 H new ATOM 0 HG2 ARG A 382 4.757 -3.105 2.487 1.00 2.50 H new ATOM 0 HG3 ARG A 382 3.360 -2.839 3.511 1.00 2.50 H new ATOM 0 HD2 ARG A 382 5.278 -1.743 4.515 1.00 2.97 H new ATOM 0 HD3 ARG A 382 4.806 -3.090 5.532 1.00 2.97 H new ATOM 0 HE ARG A 382 6.725 -4.175 3.833 1.00 3.24 H new ATOM 0 HH11 ARG A 382 6.586 -1.477 6.120 1.00 3.88 H new ATOM 0 HH12 ARG A 382 8.313 -1.553 6.482 1.00 3.88 H new ATOM 0 HH21 ARG A 382 8.925 -4.267 4.309 1.00 4.27 H new ATOM 0 HH22 ARG A 382 9.634 -3.129 5.459 1.00 4.27 H new ATOM 298 N ALA A 383 1.041 -5.184 2.883 1.00 2.12 N ATOM 299 CA ALA A 383 -0.297 -4.658 2.706 1.00 1.86 C ATOM 300 C ALA A 383 -0.713 -3.796 3.881 1.00 1.87 C ATOM 301 O ALA A 383 -0.149 -3.889 4.971 1.00 2.20 O ATOM 302 CB ALA A 383 -1.280 -5.792 2.513 1.00 2.24 C ATOM 0 H ALA A 383 1.128 -5.886 3.618 1.00 2.12 H new ATOM 0 HA ALA A 383 -0.296 -4.029 1.816 1.00 1.86 H new ATOM 0 HB1 ALA A 383 -2.283 -5.386 2.381 1.00 2.24 H new ATOM 0 HB2 ALA A 383 -1.002 -6.368 1.630 1.00 2.24 H new ATOM 0 HB3 ALA A 383 -1.264 -6.441 3.389 1.00 2.24 H new ATOM 308 N TYR A 384 -1.699 -2.955 3.642 1.00 1.86 N ATOM 309 CA TYR A 384 -2.242 -2.088 4.669 1.00 2.28 C ATOM 310 C TYR A 384 -3.762 -2.184 4.659 1.00 2.69 C ATOM 311 O TYR A 384 -4.346 -2.623 3.664 1.00 2.63 O ATOM 312 CB TYR A 384 -1.792 -0.639 4.434 1.00 2.27 C ATOM 313 CG TYR A 384 -0.305 -0.424 4.621 1.00 2.04 C ATOM 314 CD1 TYR A 384 0.583 -0.576 3.560 1.00 2.15 C ATOM 315 CD2 TYR A 384 0.209 -0.073 5.862 1.00 2.37 C ATOM 316 CE1 TYR A 384 1.941 -0.384 3.734 1.00 2.34 C ATOM 317 CE2 TYR A 384 1.563 0.121 6.042 1.00 2.31 C ATOM 318 CZ TYR A 384 2.424 -0.037 4.978 1.00 2.17 C ATOM 319 OH TYR A 384 3.776 0.154 5.158 1.00 2.46 O ATOM 0 H TYR A 384 -2.146 -2.853 2.731 1.00 1.86 H new ATOM 0 HA TYR A 384 -1.871 -2.405 5.644 1.00 2.28 H new ATOM 0 HB2 TYR A 384 -2.068 -0.342 3.422 1.00 2.27 H new ATOM 0 HB3 TYR A 384 -2.333 0.015 5.117 1.00 2.27 H new ATOM 0 HD1 TYR A 384 0.205 -0.848 2.586 1.00 2.15 H new ATOM 0 HD2 TYR A 384 -0.462 0.050 6.700 1.00 2.37 H new ATOM 0 HE1 TYR A 384 2.619 -0.505 2.902 1.00 2.34 H new ATOM 0 HE2 TYR A 384 1.947 0.396 7.013 1.00 2.31 H new ATOM 0 HH TYR A 384 3.951 0.395 6.092 1.00 2.46 H new ATOM 329 N PRO A 385 -4.427 -1.804 5.766 1.00 3.25 N ATOM 330 CA PRO A 385 -5.893 -1.803 5.844 1.00 3.72 C ATOM 331 C PRO A 385 -6.520 -0.879 4.802 1.00 3.86 C ATOM 332 O PRO A 385 -7.676 -1.048 4.416 1.00 4.19 O ATOM 333 CB PRO A 385 -6.186 -1.289 7.258 1.00 4.33 C ATOM 334 CG PRO A 385 -4.929 -1.520 8.024 1.00 4.36 C ATOM 335 CD PRO A 385 -3.811 -1.372 7.033 1.00 3.62 C ATOM 0 HA PRO A 385 -6.310 -2.791 5.647 1.00 3.72 H new ATOM 0 HB2 PRO A 385 -6.452 -0.232 7.246 1.00 4.33 H new ATOM 0 HB3 PRO A 385 -7.024 -1.823 7.706 1.00 4.33 H new ATOM 0 HG2 PRO A 385 -4.829 -0.800 8.836 1.00 4.36 H new ATOM 0 HG3 PRO A 385 -4.923 -2.512 8.475 1.00 4.36 H new ATOM 0 HD2 PRO A 385 -3.455 -0.343 6.978 1.00 3.62 H new ATOM 0 HD3 PRO A 385 -2.954 -1.992 7.297 1.00 3.62 H new ATOM 343 N SER A 386 -5.745 0.100 4.364 1.00 3.73 N ATOM 344 CA SER A 386 -6.170 1.020 3.325 1.00 3.96 C ATOM 345 C SER A 386 -4.997 1.318 2.399 1.00 3.45 C ATOM 346 O SER A 386 -3.975 0.630 2.462 1.00 2.87 O ATOM 347 CB SER A 386 -6.713 2.305 3.952 1.00 4.60 C ATOM 348 OG SER A 386 -7.768 2.011 4.849 1.00 5.22 O ATOM 0 H SER A 386 -4.805 0.278 4.719 1.00 3.73 H new ATOM 0 HA SER A 386 -6.969 0.566 2.740 1.00 3.96 H new ATOM 0 HB2 SER A 386 -5.914 2.825 4.479 1.00 4.60 H new ATOM 0 HB3 SER A 386 -7.069 2.976 3.170 1.00 4.60 H new ATOM 0 HG SER A 386 -8.104 2.843 5.243 1.00 5.22 H new ATOM 354 N ASP A 387 -5.149 2.320 1.539 1.00 3.74 N ATOM 355 CA ASP A 387 -4.104 2.700 0.590 1.00 3.41 C ATOM 356 C ASP A 387 -2.751 2.851 1.273 1.00 3.00 C ATOM 357 O ASP A 387 -2.660 3.391 2.376 1.00 3.29 O ATOM 358 CB ASP A 387 -4.470 4.010 -0.103 1.00 3.99 C ATOM 359 CG ASP A 387 -5.513 3.821 -1.177 1.00 4.53 C ATOM 360 OD1 ASP A 387 -5.141 3.465 -2.312 1.00 5.09 O ATOM 361 OD2 ASP A 387 -6.715 4.026 -0.895 1.00 4.59 O ATOM 0 H ASP A 387 -5.993 2.889 1.479 1.00 3.74 H new ATOM 0 HA ASP A 387 -4.028 1.901 -0.147 1.00 3.41 H new ATOM 0 HB2 ASP A 387 -4.840 4.719 0.638 1.00 3.99 H new ATOM 0 HB3 ASP A 387 -3.574 4.448 -0.543 1.00 3.99 H new ATOM 366 N CYS A 388 -1.703 2.350 0.618 1.00 2.47 N ATOM 367 CA CYS A 388 -0.347 2.496 1.130 1.00 2.15 C ATOM 368 C CYS A 388 -0.030 3.966 1.361 1.00 2.66 C ATOM 369 O CYS A 388 -0.145 4.777 0.443 1.00 2.92 O ATOM 370 CB CYS A 388 0.682 1.898 0.162 1.00 1.60 C ATOM 371 SG CYS A 388 2.389 2.289 0.620 1.00 1.51 S ATOM 0 H CYS A 388 -1.770 1.842 -0.264 1.00 2.47 H new ATOM 0 HA CYS A 388 -0.288 1.955 2.074 1.00 2.15 H new ATOM 0 HB2 CYS A 388 0.558 0.815 0.131 1.00 1.60 H new ATOM 0 HB3 CYS A 388 0.487 2.270 -0.844 1.00 1.60 H new ATOM 376 N PRO A 389 0.391 4.321 2.582 1.00 2.96 N ATOM 377 CA PRO A 389 0.653 5.714 2.962 1.00 3.57 C ATOM 378 C PRO A 389 1.855 6.315 2.238 1.00 3.52 C ATOM 379 O PRO A 389 2.144 7.502 2.380 1.00 4.04 O ATOM 380 CB PRO A 389 0.926 5.626 4.465 1.00 3.90 C ATOM 381 CG PRO A 389 1.395 4.232 4.687 1.00 3.60 C ATOM 382 CD PRO A 389 0.645 3.388 3.696 1.00 2.92 C ATOM 0 HA PRO A 389 -0.181 6.364 2.698 1.00 3.57 H new ATOM 0 HB2 PRO A 389 1.680 6.350 4.773 1.00 3.90 H new ATOM 0 HB3 PRO A 389 0.026 5.837 5.043 1.00 3.90 H new ATOM 0 HG2 PRO A 389 2.471 4.152 4.534 1.00 3.60 H new ATOM 0 HG3 PRO A 389 1.193 3.909 5.708 1.00 3.60 H new ATOM 0 HD2 PRO A 389 1.232 2.527 3.375 1.00 2.92 H new ATOM 0 HD3 PRO A 389 -0.283 3.002 4.117 1.00 2.92 H new ATOM 390 N GLU A 390 2.557 5.493 1.473 1.00 3.00 N ATOM 391 CA GLU A 390 3.734 5.945 0.746 1.00 3.02 C ATOM 392 C GLU A 390 3.491 5.896 -0.763 1.00 2.79 C ATOM 393 O GLU A 390 4.318 6.352 -1.549 1.00 3.12 O ATOM 394 CB GLU A 390 4.933 5.062 1.116 1.00 2.87 C ATOM 395 CG GLU A 390 6.270 5.558 0.584 1.00 3.42 C ATOM 396 CD GLU A 390 6.640 6.928 1.116 1.00 3.53 C ATOM 397 OE1 GLU A 390 7.277 7.004 2.184 1.00 3.98 O ATOM 398 OE2 GLU A 390 6.284 7.936 0.469 1.00 3.63 O ATOM 0 H GLU A 390 2.332 4.507 1.339 1.00 3.00 H new ATOM 0 HA GLU A 390 3.944 6.978 1.023 1.00 3.02 H new ATOM 0 HB2 GLU A 390 4.993 4.989 2.202 1.00 2.87 H new ATOM 0 HB3 GLU A 390 4.757 4.055 0.738 1.00 2.87 H new ATOM 0 HG2 GLU A 390 7.050 4.846 0.853 1.00 3.42 H new ATOM 0 HG3 GLU A 390 6.232 5.594 -0.505 1.00 3.42 H new ATOM 405 N HIS A 391 2.346 5.366 -1.173 1.00 2.46 N ATOM 406 CA HIS A 391 2.121 5.090 -2.590 1.00 2.55 C ATOM 407 C HIS A 391 0.694 5.387 -3.033 1.00 2.98 C ATOM 408 O HIS A 391 0.490 6.073 -4.035 1.00 3.51 O ATOM 409 CB HIS A 391 2.476 3.631 -2.906 1.00 2.20 C ATOM 410 CG HIS A 391 3.950 3.394 -3.014 1.00 2.05 C ATOM 411 ND1 HIS A 391 4.656 2.734 -2.030 1.00 1.77 N ATOM 412 CD2 HIS A 391 4.797 3.779 -3.992 1.00 2.40 C ATOM 413 CE1 HIS A 391 5.913 2.748 -2.440 1.00 2.10 C ATOM 414 NE2 HIS A 391 6.043 3.366 -3.619 1.00 2.43 N ATOM 0 H HIS A 391 1.569 5.121 -0.559 1.00 2.46 H new ATOM 0 HA HIS A 391 2.773 5.761 -3.150 1.00 2.55 H new ATOM 0 HB2 HIS A 391 2.067 2.987 -2.127 1.00 2.20 H new ATOM 0 HB3 HIS A 391 1.998 3.342 -3.842 1.00 2.20 H new ATOM 0 HD2 HIS A 391 4.538 4.311 -4.895 1.00 2.40 H new ATOM 0 HE1 HIS A 391 6.735 2.313 -1.890 1.00 2.10 H new ATOM 0 HE2 HIS A 391 6.909 3.503 -4.140 1.00 2.43 H new ATOM 422 N GLY A 392 -0.286 4.893 -2.291 1.00 2.94 N ATOM 423 CA GLY A 392 -1.662 4.977 -2.747 1.00 3.41 C ATOM 424 C GLY A 392 -1.840 4.287 -4.087 1.00 3.36 C ATOM 425 O GLY A 392 -1.953 4.954 -5.119 1.00 3.30 O ATOM 0 H GLY A 392 -0.157 4.438 -1.387 1.00 2.94 H new ATOM 0 HA2 GLY A 392 -2.321 4.519 -2.009 1.00 3.41 H new ATOM 0 HA3 GLY A 392 -1.956 6.023 -2.832 1.00 3.41 H new ATOM 429 N PRO A 393 -1.846 2.944 -4.099 1.00 3.77 N ATOM 430 CA PRO A 393 -1.867 2.152 -5.331 1.00 4.00 C ATOM 431 C PRO A 393 -3.213 2.202 -6.041 1.00 3.65 C ATOM 432 O PRO A 393 -4.204 1.651 -5.562 1.00 3.97 O ATOM 433 CB PRO A 393 -1.575 0.717 -4.856 1.00 4.78 C ATOM 434 CG PRO A 393 -1.186 0.838 -3.419 1.00 5.05 C ATOM 435 CD PRO A 393 -1.855 2.081 -2.915 1.00 4.39 C ATOM 0 HA PRO A 393 -1.146 2.532 -6.055 1.00 4.00 H new ATOM 0 HB2 PRO A 393 -2.452 0.080 -4.972 1.00 4.78 H new ATOM 0 HB3 PRO A 393 -0.774 0.266 -5.442 1.00 4.78 H new ATOM 0 HG2 PRO A 393 -1.508 -0.036 -2.852 1.00 5.05 H new ATOM 0 HG3 PRO A 393 -0.103 0.906 -3.312 1.00 5.05 H new ATOM 0 HD2 PRO A 393 -2.868 1.884 -2.564 1.00 4.39 H new ATOM 0 HD3 PRO A 393 -1.310 2.527 -2.083 1.00 4.39 H new ATOM 443 N VAL A 394 -3.250 2.867 -7.186 1.00 3.51 N ATOM 444 CA VAL A 394 -4.452 2.888 -8.005 1.00 3.72 C ATOM 445 C VAL A 394 -4.504 1.652 -8.898 1.00 3.98 C ATOM 446 O VAL A 394 -4.531 1.743 -10.124 1.00 4.76 O ATOM 447 CB VAL A 394 -4.556 4.172 -8.862 1.00 4.22 C ATOM 448 CG1 VAL A 394 -4.853 5.375 -7.980 1.00 4.46 C ATOM 449 CG2 VAL A 394 -3.285 4.410 -9.666 1.00 4.69 C ATOM 0 H VAL A 394 -2.466 3.396 -7.567 1.00 3.51 H new ATOM 0 HA VAL A 394 -5.305 2.882 -7.327 1.00 3.72 H new ATOM 0 HB VAL A 394 -5.377 4.036 -9.566 1.00 4.22 H new ATOM 0 HG11 VAL A 394 -4.923 6.270 -8.598 1.00 4.46 H new ATOM 0 HG12 VAL A 394 -5.797 5.219 -7.458 1.00 4.46 H new ATOM 0 HG13 VAL A 394 -4.052 5.499 -7.251 1.00 4.46 H new ATOM 0 HG21 VAL A 394 -3.393 5.320 -10.256 1.00 4.69 H new ATOM 0 HG22 VAL A 394 -2.439 4.516 -8.987 1.00 4.69 H new ATOM 0 HG23 VAL A 394 -3.112 3.564 -10.331 1.00 4.69 H new ATOM 459 N THR A 395 -4.515 0.486 -8.266 1.00 3.71 N ATOM 460 CA THR A 395 -4.572 -0.773 -8.985 1.00 4.37 C ATOM 461 C THR A 395 -5.929 -0.928 -9.652 1.00 4.14 C ATOM 462 O THR A 395 -6.030 -1.350 -10.804 1.00 4.55 O ATOM 463 CB THR A 395 -4.306 -1.958 -8.039 1.00 4.99 C ATOM 464 OG1 THR A 395 -5.080 -1.807 -6.840 1.00 5.13 O ATOM 465 CG2 THR A 395 -2.828 -2.049 -7.686 1.00 5.72 C ATOM 0 H THR A 395 -4.485 0.389 -7.251 1.00 3.71 H new ATOM 0 HA THR A 395 -3.796 -0.768 -9.750 1.00 4.37 H new ATOM 0 HB THR A 395 -4.597 -2.876 -8.549 1.00 4.99 H new ATOM 0 HG1 THR A 395 -4.908 -2.564 -6.242 1.00 5.13 H new ATOM 0 HG21 THR A 395 -2.665 -2.894 -7.017 1.00 5.72 H new ATOM 0 HG22 THR A 395 -2.245 -2.189 -8.596 1.00 5.72 H new ATOM 0 HG23 THR A 395 -2.515 -1.129 -7.192 1.00 5.72 H new ATOM 473 N PHE A 396 -6.966 -0.568 -8.917 1.00 3.97 N ATOM 474 CA PHE A 396 -8.308 -0.501 -9.462 1.00 4.15 C ATOM 475 C PHE A 396 -8.703 0.960 -9.610 1.00 4.04 C ATOM 476 O PHE A 396 -8.189 1.821 -8.894 1.00 4.16 O ATOM 477 CB PHE A 396 -9.306 -1.240 -8.559 1.00 4.81 C ATOM 478 CG PHE A 396 -9.460 -0.641 -7.185 1.00 5.16 C ATOM 479 CD1 PHE A 396 -8.608 -1.008 -6.155 1.00 5.72 C ATOM 480 CD2 PHE A 396 -10.453 0.292 -6.927 1.00 5.38 C ATOM 481 CE1 PHE A 396 -8.745 -0.460 -4.894 1.00 6.40 C ATOM 482 CE2 PHE A 396 -10.593 0.844 -5.668 1.00 6.07 C ATOM 483 CZ PHE A 396 -9.751 0.464 -4.649 1.00 6.54 C ATOM 0 H PHE A 396 -6.901 -0.315 -7.931 1.00 3.97 H new ATOM 0 HA PHE A 396 -8.326 -0.988 -10.437 1.00 4.15 H new ATOM 0 HB2 PHE A 396 -10.280 -1.253 -9.048 1.00 4.81 H new ATOM 0 HB3 PHE A 396 -8.987 -2.277 -8.457 1.00 4.81 H new ATOM 0 HD1 PHE A 396 -7.828 -1.731 -6.340 1.00 5.72 H new ATOM 0 HD2 PHE A 396 -11.124 0.590 -7.719 1.00 5.38 H new ATOM 0 HE1 PHE A 396 -8.071 -0.750 -4.101 1.00 6.40 H new ATOM 0 HE2 PHE A 396 -11.366 1.576 -5.484 1.00 6.07 H new ATOM 0 HZ PHE A 396 -9.872 0.883 -3.661 1.00 6.54 H new ATOM 493 N VAL A 397 -9.595 1.248 -10.542 1.00 4.36 N ATOM 494 CA VAL A 397 -10.044 2.613 -10.755 1.00 4.90 C ATOM 495 C VAL A 397 -11.450 2.809 -10.196 1.00 5.50 C ATOM 496 O VAL A 397 -12.429 2.339 -10.784 1.00 5.82 O ATOM 497 CB VAL A 397 -10.033 2.986 -12.252 1.00 5.50 C ATOM 498 CG1 VAL A 397 -10.427 4.442 -12.446 1.00 5.77 C ATOM 499 CG2 VAL A 397 -8.665 2.715 -12.862 1.00 6.17 C ATOM 0 H VAL A 397 -10.021 0.558 -11.161 1.00 4.36 H new ATOM 0 HA VAL A 397 -9.348 3.267 -10.230 1.00 4.90 H new ATOM 0 HB VAL A 397 -10.766 2.363 -12.764 1.00 5.50 H new ATOM 0 HG11 VAL A 397 -10.413 4.684 -13.509 1.00 5.77 H new ATOM 0 HG12 VAL A 397 -11.430 4.603 -12.050 1.00 5.77 H new ATOM 0 HG13 VAL A 397 -9.721 5.083 -11.918 1.00 5.77 H new ATOM 0 HG21 VAL A 397 -8.678 2.984 -13.918 1.00 6.17 H new ATOM 0 HG22 VAL A 397 -7.912 3.309 -12.345 1.00 6.17 H new ATOM 0 HG23 VAL A 397 -8.425 1.657 -12.760 1.00 6.17 H new ATOM 509 N PRO A 398 -11.571 3.482 -9.041 1.00 5.97 N ATOM 510 CA PRO A 398 -12.871 3.792 -8.449 1.00 6.86 C ATOM 511 C PRO A 398 -13.606 4.850 -9.263 1.00 7.67 C ATOM 512 O PRO A 398 -13.105 5.959 -9.453 1.00 8.36 O ATOM 513 CB PRO A 398 -12.522 4.317 -7.055 1.00 7.35 C ATOM 514 CG PRO A 398 -11.131 4.836 -7.175 1.00 6.95 C ATOM 515 CD PRO A 398 -10.453 3.998 -8.225 1.00 6.01 C ATOM 0 HA PRO A 398 -13.536 2.928 -8.420 1.00 6.86 H new ATOM 0 HB2 PRO A 398 -13.211 5.103 -6.745 1.00 7.35 H new ATOM 0 HB3 PRO A 398 -12.585 3.526 -6.308 1.00 7.35 H new ATOM 0 HG2 PRO A 398 -11.132 5.888 -7.459 1.00 6.95 H new ATOM 0 HG3 PRO A 398 -10.606 4.764 -6.222 1.00 6.95 H new ATOM 0 HD2 PRO A 398 -9.761 4.590 -8.824 1.00 6.01 H new ATOM 0 HD3 PRO A 398 -9.876 3.188 -7.779 1.00 6.01 H new ATOM 523 N ASP A 399 -14.785 4.505 -9.749 1.00 7.83 N ATOM 524 CA ASP A 399 -15.524 5.385 -10.640 1.00 8.78 C ATOM 525 C ASP A 399 -16.564 6.187 -9.858 1.00 9.15 C ATOM 526 O ASP A 399 -16.567 6.181 -8.628 1.00 9.38 O ATOM 527 CB ASP A 399 -16.196 4.567 -11.749 1.00 9.18 C ATOM 528 CG ASP A 399 -16.547 5.401 -12.965 1.00 9.69 C ATOM 529 OD1 ASP A 399 -15.690 5.532 -13.863 1.00 9.49 O ATOM 530 OD2 ASP A 399 -17.679 5.930 -13.028 1.00 10.47 O ATOM 0 H ASP A 399 -15.252 3.622 -9.542 1.00 7.83 H new ATOM 0 HA ASP A 399 -14.827 6.086 -11.098 1.00 8.78 H new ATOM 0 HB2 ASP A 399 -15.532 3.757 -12.050 1.00 9.18 H new ATOM 0 HB3 ASP A 399 -17.103 4.107 -11.356 1.00 9.18 H new ATOM 535 N THR A 400 -17.439 6.869 -10.575 1.00 9.46 N ATOM 536 CA THR A 400 -18.476 7.675 -9.964 1.00 10.09 C ATOM 537 C THR A 400 -19.617 6.799 -9.447 1.00 10.99 C ATOM 538 O THR A 400 -20.078 5.893 -10.144 1.00 11.20 O ATOM 539 CB THR A 400 -19.022 8.706 -10.972 1.00 10.16 C ATOM 540 OG1 THR A 400 -19.329 8.064 -12.223 1.00 9.95 O ATOM 541 CG2 THR A 400 -18.015 9.820 -11.201 1.00 10.17 C ATOM 0 H THR A 400 -17.449 6.879 -11.595 1.00 9.46 H new ATOM 0 HA THR A 400 -18.035 8.203 -9.119 1.00 10.09 H new ATOM 0 HB THR A 400 -19.933 9.138 -10.557 1.00 10.16 H new ATOM 0 HG1 THR A 400 -19.676 8.728 -12.855 1.00 9.95 H new ATOM 0 HG21 THR A 400 -18.421 10.536 -11.916 1.00 10.17 H new ATOM 0 HG22 THR A 400 -17.811 10.325 -10.257 1.00 10.17 H new ATOM 0 HG23 THR A 400 -17.090 9.399 -11.595 1.00 10.17 H new ATOM 549 N PRO A 401 -20.071 7.047 -8.210 1.00 11.70 N ATOM 550 CA PRO A 401 -21.167 6.292 -7.594 1.00 12.73 C ATOM 551 C PRO A 401 -22.536 6.717 -8.123 1.00 13.37 C ATOM 552 O PRO A 401 -23.418 7.108 -7.356 1.00 13.87 O ATOM 553 CB PRO A 401 -21.034 6.636 -6.112 1.00 13.30 C ATOM 554 CG PRO A 401 -20.428 7.997 -6.091 1.00 12.82 C ATOM 555 CD PRO A 401 -19.536 8.081 -7.301 1.00 11.73 C ATOM 0 HA PRO A 401 -21.103 5.225 -7.808 1.00 12.73 H new ATOM 0 HB2 PRO A 401 -22.004 6.627 -5.615 1.00 13.30 H new ATOM 0 HB3 PRO A 401 -20.403 5.914 -5.593 1.00 13.30 H new ATOM 0 HG2 PRO A 401 -21.199 8.767 -6.122 1.00 12.82 H new ATOM 0 HG3 PRO A 401 -19.858 8.155 -5.176 1.00 12.82 H new ATOM 0 HD2 PRO A 401 -19.573 9.071 -7.756 1.00 11.73 H new ATOM 0 HD3 PRO A 401 -18.495 7.887 -7.044 1.00 11.73 H new ATOM 563 N ILE A 402 -22.702 6.638 -9.435 1.00 13.49 N ATOM 564 CA ILE A 402 -23.946 7.025 -10.078 1.00 14.27 C ATOM 565 C ILE A 402 -24.156 6.213 -11.358 1.00 14.82 C ATOM 566 O ILE A 402 -23.391 6.401 -12.329 1.00 15.17 O ATOM 567 CB ILE A 402 -23.980 8.550 -10.376 1.00 14.27 C ATOM 568 CG1 ILE A 402 -25.238 8.927 -11.162 1.00 14.67 C ATOM 569 CG2 ILE A 402 -22.730 9.004 -11.118 1.00 14.20 C ATOM 570 CD1 ILE A 402 -26.519 8.750 -10.377 1.00 15.06 C ATOM 571 OXT ILE A 402 -25.077 5.370 -11.385 1.00 15.02 O ATOM 0 H ILE A 402 -21.983 6.306 -10.078 1.00 13.49 H new ATOM 0 HA ILE A 402 -24.764 6.809 -9.391 1.00 14.27 H new ATOM 0 HB ILE A 402 -24.005 9.068 -9.417 1.00 14.27 H new ATOM 0 HG12 ILE A 402 -25.159 9.966 -11.482 1.00 14.67 H new ATOM 0 HG13 ILE A 402 -25.288 8.318 -12.065 1.00 14.67 H new ATOM 0 HG21 ILE A 402 -22.789 10.075 -11.309 1.00 14.20 H new ATOM 0 HG22 ILE A 402 -21.850 8.792 -10.511 1.00 14.20 H new ATOM 0 HG23 ILE A 402 -22.655 8.470 -12.065 1.00 14.20 H new ATOM 0 HD11 ILE A 402 -27.368 9.036 -10.997 1.00 15.06 H new ATOM 0 HD12 ILE A 402 -26.622 7.706 -10.080 1.00 15.06 H new ATOM 0 HD13 ILE A 402 -26.491 9.380 -9.488 1.00 15.06 H new TER 583 ILE A 402 HETATM 584 ZN ZN A 403 3.904 1.333 -0.825 1.00 1.27 ZN