USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 294 hydrogens (35 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 9 HYP H : A 9 HYP N : A 8 LYS C :(H bumps) USER MOD NoAdj-H: A 13 HYP H : A 13 HYP N : A 12 PHE C :(H bumps) USER MOD NoAdj-H: A 15 HYP H : A 15 HYP N : A 14 ILE C :(H bumps) USER MOD NoAdj-H: A 17 HYP H : A 17 HYP N : A 16 SER C :(H bumps) USER MOD NoAdj-H: A 19 HYP H : A 19 HYP N : A 18 ASN C :(H bumps) USER MOD Single : A 1 TRP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.151 K(o=-0.15,f=-3.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 151:sc= -0.794! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 15 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HYP OD1 : rot 134:sc= 1.06 USER MOD Single : A 18 ASN : amide:sc= -4.53! C(o=-4.5!,f=-7.2!) USER MOD Single : A 19 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.979 K(o=-0.98,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 29.625 -8.577 7.565 1.00 0.00 N ATOM 2 CA TRP A 1 29.787 -7.411 6.714 1.00 0.00 C ATOM 3 C TRP A 1 28.783 -6.350 7.169 1.00 0.00 C ATOM 4 O TRP A 1 29.167 -5.338 7.754 1.00 0.00 O ATOM 5 CB TRP A 1 29.635 -7.783 5.238 1.00 0.00 C ATOM 6 CG TRP A 1 30.914 -8.328 4.599 1.00 0.00 C ATOM 7 CD1 TRP A 1 32.019 -7.651 4.256 1.00 0.00 C ATOM 8 CD2 TRP A 1 31.177 -9.701 4.238 1.00 0.00 C ATOM 9 NE1 TRP A 1 32.970 -8.484 3.702 1.00 0.00 N ATOM 10 CE2 TRP A 1 32.442 -9.770 3.691 1.00 0.00 C ATOM 11 CE3 TRP A 1 30.372 -10.847 4.368 1.00 0.00 C ATOM 12 CZ2 TRP A 1 33.015 -10.962 3.232 1.00 0.00 C ATOM 13 CZ3 TRP A 1 30.959 -12.029 3.904 1.00 0.00 C ATOM 14 CH2 TRP A 1 32.232 -12.116 3.352 1.00 0.00 C ATOM 0 H1 TRP A 1 30.298 -9.315 7.275 1.00 0.00 H new ATOM 0 H2 TRP A 1 29.806 -8.313 8.554 1.00 0.00 H new ATOM 0 H3 TRP A 1 28.654 -8.940 7.476 1.00 0.00 H new ATOM 0 HA TRP A 1 30.793 -7.002 6.809 1.00 0.00 H new ATOM 0 HB2 TRP A 1 28.846 -8.529 5.141 1.00 0.00 H new ATOM 0 HB3 TRP A 1 29.311 -6.902 4.683 1.00 0.00 H new ATOM 0 HD1 TRP A 1 32.149 -6.588 4.396 1.00 0.00 H new ATOM 0 HE1 TRP A 1 33.891 -8.207 3.363 1.00 0.00 H new ATOM 0 HE3 TRP A 1 29.379 -10.817 4.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 34.008 -10.990 2.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 30.382 -12.939 3.980 1.00 0.00 H new ATOM 0 HH2 TRP A 1 32.615 -13.069 3.018 1.00 0.00 H new ATOM 25 N GLU A 2 27.518 -6.618 6.885 1.00 0.00 N ATOM 26 CA GLU A 2 26.455 -5.700 7.258 1.00 0.00 C ATOM 27 C GLU A 2 26.880 -4.256 6.978 1.00 0.00 C ATOM 28 O GLU A 2 26.838 -3.410 7.870 1.00 0.00 O ATOM 29 CB GLU A 2 26.063 -5.882 8.726 1.00 0.00 C ATOM 30 CG GLU A 2 27.282 -5.735 9.640 1.00 0.00 C ATOM 31 CD GLU A 2 26.864 -5.728 11.113 1.00 0.00 C ATOM 32 OE1 GLU A 2 26.387 -6.788 11.572 1.00 0.00 O ATOM 33 OE2 GLU A 2 27.031 -4.662 11.745 1.00 0.00 O ATOM 0 H GLU A 2 27.204 -7.459 6.400 1.00 0.00 H new ATOM 0 HA GLU A 2 25.577 -5.924 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 2 25.308 -5.145 8.999 1.00 0.00 H new ATOM 0 HB3 GLU A 2 25.614 -6.865 8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 2 27.978 -6.554 9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 2 27.809 -4.811 9.403 1.00 0.00 H new ATOM 40 N TRP A 3 27.278 -4.020 5.737 1.00 0.00 N ATOM 41 CA TRP A 3 27.709 -2.694 5.328 1.00 0.00 C ATOM 42 C TRP A 3 26.941 -2.316 4.061 1.00 0.00 C ATOM 43 O TRP A 3 27.477 -2.151 2.964 1.00 0.00 O ATOM 44 CB TRP A 3 29.227 -2.644 5.145 1.00 0.00 C ATOM 45 CG TRP A 3 30.017 -2.800 6.446 1.00 0.00 C ATOM 46 CD1 TRP A 3 30.936 -3.728 6.746 1.00 0.00 C ATOM 47 CD2 TRP A 3 29.921 -1.962 7.617 1.00 0.00 C ATOM 48 NE1 TRP A 3 31.436 -3.551 8.020 1.00 0.00 N ATOM 49 CE2 TRP A 3 30.800 -2.442 8.566 1.00 0.00 C ATOM 50 CE3 TRP A 3 29.117 -0.835 7.865 1.00 0.00 C ATOM 51 CZ2 TRP A 3 30.959 -1.858 9.828 1.00 0.00 C ATOM 52 CZ3 TRP A 3 29.288 -0.263 9.131 1.00 0.00 C ATOM 53 CH2 TRP A 3 30.169 -0.734 10.098 1.00 0.00 C ATOM 0 H TRP A 3 27.311 -4.725 5.001 1.00 0.00 H new ATOM 0 HA TRP A 3 27.485 -1.960 6.102 1.00 0.00 H new ATOM 0 HB2 TRP A 3 29.525 -3.433 4.454 1.00 0.00 H new ATOM 0 HB3 TRP A 3 29.495 -1.695 4.681 1.00 0.00 H new ATOM 0 HD1 TRP A 3 31.246 -4.515 6.075 1.00 0.00 H new ATOM 0 HE1 TRP A 3 32.142 -4.128 8.477 1.00 0.00 H new ATOM 0 HE3 TRP A 3 28.423 -0.442 7.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 31.654 -2.253 10.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 28.694 0.605 9.374 1.00 0.00 H new ATOM 0 HH2 TRP A 3 30.244 -0.235 11.053 1.00 0.00 H new ATOM 64 N PRO A 4 25.610 -2.172 4.224 1.00 0.00 N ATOM 65 CA PRO A 4 24.694 -1.964 3.071 1.00 0.00 C ATOM 66 C PRO A 4 24.868 -0.652 2.232 1.00 0.00 C ATOM 67 O PRO A 4 24.210 0.297 2.655 1.00 0.00 O ATOM 68 CB PRO A 4 23.320 -2.116 3.761 1.00 0.00 C ATOM 69 CG PRO A 4 23.543 -1.726 5.230 1.00 0.00 C ATOM 70 CD PRO A 4 24.959 -2.211 5.544 1.00 0.00 C ATOM 0 HA PRO A 4 24.885 -2.670 2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 4 22.575 -1.472 3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 4 22.953 -3.139 3.680 1.00 0.00 H new ATOM 0 HG2 PRO A 4 23.451 -0.649 5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 4 22.808 -2.198 5.882 1.00 0.00 H new ATOM 0 HD2 PRO A 4 25.460 -1.562 6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 4 24.959 -3.216 5.967 1.00 0.00 H new ATOM 78 N TRP A 5 25.656 -0.603 1.169 1.00 0.00 N ATOM 79 CA TRP A 5 25.801 0.621 0.399 1.00 0.00 C ATOM 80 C TRP A 5 24.746 0.610 -0.708 1.00 0.00 C ATOM 81 O TRP A 5 25.048 0.911 -1.862 1.00 0.00 O ATOM 82 CB TRP A 5 27.227 0.767 -0.135 1.00 0.00 C ATOM 83 CG TRP A 5 27.718 -0.440 -0.937 1.00 0.00 C ATOM 84 CD1 TRP A 5 28.170 -1.612 -0.469 1.00 0.00 C ATOM 85 CD2 TRP A 5 27.790 -0.546 -2.374 1.00 0.00 C ATOM 86 NE1 TRP A 5 28.526 -2.462 -1.497 1.00 0.00 N ATOM 87 CE2 TRP A 5 28.287 -1.794 -2.692 1.00 0.00 C ATOM 88 CE3 TRP A 5 27.445 0.382 -3.374 1.00 0.00 C ATOM 89 CZ2 TRP A 5 28.485 -2.228 -4.008 1.00 0.00 C ATOM 90 CZ3 TRP A 5 27.649 -0.068 -4.684 1.00 0.00 C ATOM 91 CH2 TRP A 5 28.149 -1.321 -5.020 1.00 0.00 C ATOM 0 H TRP A 5 26.202 -1.392 0.822 1.00 0.00 H new ATOM 0 HA TRP A 5 25.636 1.495 1.029 1.00 0.00 H new ATOM 0 HB2 TRP A 5 27.279 1.655 -0.766 1.00 0.00 H new ATOM 0 HB3 TRP A 5 27.903 0.932 0.704 1.00 0.00 H new ATOM 0 HD1 TRP A 5 28.246 -1.860 0.579 1.00 0.00 H new ATOM 0 HE1 TRP A 5 28.897 -3.407 -1.398 1.00 0.00 H new ATOM 0 HE3 TRP A 5 27.054 1.363 -3.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 28.876 -3.210 -4.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 27.400 0.606 -5.491 1.00 0.00 H new ATOM 0 HH2 TRP A 5 28.278 -1.593 -6.057 1.00 0.00 H new ATOM 102 N ASN A 6 23.528 0.260 -0.319 1.00 0.00 N ATOM 103 CA ASN A 6 22.427 0.207 -1.264 1.00 0.00 C ATOM 104 C ASN A 6 21.274 1.070 -0.748 1.00 0.00 C ATOM 105 O ASN A 6 20.739 0.817 0.331 1.00 0.00 O ATOM 106 CB ASN A 6 21.909 -1.224 -1.427 1.00 0.00 C ATOM 107 CG ASN A 6 20.928 -1.323 -2.597 1.00 0.00 C ATOM 108 OD1 ASN A 6 20.561 -0.339 -3.218 1.00 0.00 O ATOM 109 ND2 ASN A 6 20.525 -2.562 -2.862 1.00 0.00 N ATOM 0 H ASN A 6 23.280 0.010 0.638 1.00 0.00 H new ATOM 0 HA ASN A 6 22.791 0.571 -2.225 1.00 0.00 H new ATOM 0 HB2 ASN A 6 22.747 -1.901 -1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 6 21.418 -1.543 -0.508 1.00 0.00 H new ATOM 0 HD21 ASN A 6 19.870 -2.733 -3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 6 20.871 -3.342 -2.303 1.00 0.00 H new ATOM 116 N ARG A 7 20.926 2.073 -1.542 1.00 0.00 N ATOM 117 CA ARG A 7 19.847 2.975 -1.178 1.00 0.00 C ATOM 118 C ARG A 7 18.898 3.173 -2.362 1.00 0.00 C ATOM 119 O ARG A 7 19.017 4.149 -3.101 1.00 0.00 O ATOM 120 CB ARG A 7 20.391 4.335 -0.737 1.00 0.00 C ATOM 121 CG ARG A 7 20.215 4.533 0.770 1.00 0.00 C ATOM 122 CD ARG A 7 19.788 5.968 1.088 1.00 0.00 C ATOM 123 NE ARG A 7 20.736 6.577 2.049 1.00 0.00 N ATOM 124 CZ ARG A 7 20.871 7.897 2.237 1.00 0.00 C ATOM 125 NH1 ARG A 7 20.119 8.754 1.534 1.00 0.00 N ATOM 126 NH2 ARG A 7 21.756 8.359 3.131 1.00 0.00 N ATOM 0 H ARG A 7 21.372 2.280 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 7 19.306 2.525 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 7 21.447 4.410 -0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 7 19.874 5.129 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 7 19.467 3.835 1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 7 21.150 4.306 1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 7 19.756 6.558 0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 7 18.781 5.973 1.505 1.00 0.00 H new ATOM 0 HE ARG A 7 21.323 5.953 2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 7 19.444 8.402 0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 7 20.222 9.759 1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 7 22.327 7.706 3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 7 21.859 9.364 3.274 1.00 0.00 H new ATOM 140 N LYS A 8 17.978 2.230 -2.506 1.00 0.00 N ATOM 141 CA LYS A 8 17.010 2.289 -3.588 1.00 0.00 C ATOM 142 C LYS A 8 15.632 1.892 -3.055 1.00 0.00 C ATOM 143 O LYS A 8 15.050 0.862 -3.403 1.00 0.00 O ATOM 144 CB LYS A 8 17.478 1.441 -4.772 1.00 0.00 C ATOM 145 CG LYS A 8 17.399 2.234 -6.079 1.00 0.00 C ATOM 146 CD LYS A 8 15.964 2.270 -6.611 1.00 0.00 C ATOM 147 CE LYS A 8 15.671 3.603 -7.304 1.00 0.00 C ATOM 148 NZ LYS A 8 14.662 4.372 -6.541 1.00 0.00 N ATOM 0 H LYS A 8 17.883 1.421 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 8 16.925 3.307 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.503 1.110 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 8 16.862 0.545 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.755 3.251 -5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.056 1.783 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.811 1.450 -7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.264 2.121 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.589 4.184 -7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.310 3.422 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.474 5.274 -7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.781 3.823 -6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.021 4.561 -5.583 1.00 0.00 H new HETATM 162 N HYP A 9 15.081 2.774 -2.151 1.00 0.00 N HETATM 163 CA HYP A 9 13.807 2.530 -1.447 1.00 0.00 C HETATM 164 C HYP A 9 12.552 2.378 -2.341 1.00 0.00 C HETATM 165 O HYP A 9 12.341 3.173 -3.255 1.00 0.00 O HETATM 166 CB HYP A 9 13.654 3.747 -0.513 1.00 0.00 C HETATM 167 CG HYP A 9 15.081 4.276 -0.349 1.00 0.00 C HETATM 168 CD HYP A 9 15.652 4.056 -1.753 1.00 0.00 C HETATM 169 OD1 HYP A 9 15.754 3.439 0.577 1.00 0.00 O HETATM 0 HD23 HYP A 9 16.742 4.025 -1.744 1.00 0.00 H new HETATM 0 HD22 HYP A 9 15.361 4.855 -2.435 1.00 0.00 H new HETATM 0 HG HYP A 9 15.162 5.304 0.004 1.00 0.00 H new HETATM 0 HD1 HYP A 9 16.673 3.757 0.698 1.00 0.00 H new HETATM 0 HB3 HYP A 9 12.997 4.501 -0.946 1.00 0.00 H new HETATM 0 HB2 HYP A 9 13.222 3.461 0.446 1.00 0.00 H new HETATM 0 HA HYP A 9 13.859 1.566 -0.942 1.00 0.00 H new ATOM 177 N THR A 10 11.693 1.453 -1.936 1.00 0.00 N ATOM 178 CA THR A 10 10.394 1.310 -2.570 1.00 0.00 C ATOM 179 C THR A 10 9.277 1.639 -1.579 1.00 0.00 C ATOM 180 O THR A 10 9.535 1.849 -0.395 1.00 0.00 O ATOM 181 CB THR A 10 10.301 -0.106 -3.142 1.00 0.00 C ATOM 182 OG1 THR A 10 8.952 -0.493 -2.895 1.00 0.00 O ATOM 183 CG2 THR A 10 11.129 -1.116 -2.345 1.00 0.00 C ATOM 0 H THR A 10 11.872 0.796 -1.177 1.00 0.00 H new ATOM 0 HA THR A 10 10.275 2.017 -3.391 1.00 0.00 H new ATOM 0 HB THR A 10 10.636 -0.100 -4.179 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.664 -1.132 -3.580 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.028 -2.104 -2.793 1.00 0.00 H new ATOM 0 HG22 THR A 10 12.177 -0.818 -2.358 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.773 -1.147 -1.315 1.00 0.00 H new ATOM 191 N LYS A 11 8.058 1.675 -2.098 1.00 0.00 N ATOM 192 CA LYS A 11 6.901 1.976 -1.273 1.00 0.00 C ATOM 193 C LYS A 11 5.736 1.076 -1.690 1.00 0.00 C ATOM 194 O LYS A 11 4.663 1.565 -2.039 1.00 0.00 O ATOM 195 CB LYS A 11 6.575 3.469 -1.331 1.00 0.00 C ATOM 196 CG LYS A 11 5.613 3.864 -0.209 1.00 0.00 C ATOM 197 CD LYS A 11 4.346 4.510 -0.775 1.00 0.00 C ATOM 198 CE LYS A 11 3.535 5.188 0.330 1.00 0.00 C ATOM 199 NZ LYS A 11 2.191 4.576 0.435 1.00 0.00 N ATOM 0 H LYS A 11 7.847 1.500 -3.081 1.00 0.00 H new ATOM 0 HA LYS A 11 7.113 1.760 -0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.494 4.049 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.132 3.711 -2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.347 2.982 0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.107 4.558 0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.616 5.243 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.736 3.752 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.058 5.097 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.441 6.253 0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.653 5.048 1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.688 4.685 -0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.287 3.565 0.658 1.00 0.00 H new ATOM 213 N PHE A 12 5.986 -0.224 -1.640 1.00 0.00 N ATOM 214 CA PHE A 12 4.972 -1.197 -2.008 1.00 0.00 C ATOM 215 C PHE A 12 3.734 -1.061 -1.118 1.00 0.00 C ATOM 216 O PHE A 12 2.665 -0.595 -1.524 1.00 0.00 O ATOM 217 CB PHE A 12 5.584 -2.583 -1.800 1.00 0.00 C ATOM 218 CG PHE A 12 6.064 -3.251 -3.090 1.00 0.00 C ATOM 219 CD1 PHE A 12 6.477 -2.488 -4.138 1.00 0.00 C ATOM 220 CD2 PHE A 12 6.076 -4.607 -3.190 1.00 0.00 C ATOM 221 CE1 PHE A 12 6.923 -3.108 -5.335 1.00 0.00 C ATOM 222 CE2 PHE A 12 6.520 -5.227 -4.388 1.00 0.00 C ATOM 223 CZ PHE A 12 6.934 -4.465 -5.435 1.00 0.00 C ATOM 0 H PHE A 12 6.877 -0.626 -1.350 1.00 0.00 H new ATOM 0 HA PHE A 12 4.664 -1.040 -3.042 1.00 0.00 H new ATOM 0 HB2 PHE A 12 6.425 -2.498 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.846 -3.227 -1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.466 -1.411 -4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.748 -5.213 -2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.253 -2.503 -6.166 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.529 -6.304 -4.467 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.272 -4.937 -6.346 1.00 0.00 H new HETATM 233 N HYP A 13 3.898 -1.498 0.179 1.00 0.00 N HETATM 234 CA HYP A 13 2.803 -1.543 1.168 1.00 0.00 C HETATM 235 C HYP A 13 1.481 -0.853 0.755 1.00 0.00 C HETATM 236 O HYP A 13 1.485 0.312 0.360 1.00 0.00 O HETATM 237 CB HYP A 13 3.396 -0.862 2.416 1.00 0.00 C HETATM 238 CG HYP A 13 4.911 -0.994 2.233 1.00 0.00 C HETATM 239 CD HYP A 13 5.054 -0.795 0.722 1.00 0.00 C HETATM 240 OD1 HYP A 13 5.278 -2.319 2.578 1.00 0.00 O HETATM 0 HD23 HYP A 13 5.990 -1.211 0.348 1.00 0.00 H new HETATM 0 HD22 HYP A 13 5.045 0.261 0.453 1.00 0.00 H new HETATM 0 HG HYP A 13 5.517 -0.310 2.827 1.00 0.00 H new HETATM 0 HD1 HYP A 13 6.245 -2.430 2.467 1.00 0.00 H new HETATM 0 HB3 HYP A 13 3.092 0.183 2.481 1.00 0.00 H new HETATM 0 HB2 HYP A 13 3.062 -1.349 3.332 1.00 0.00 H new HETATM 0 HA HYP A 13 2.496 -2.579 1.311 1.00 0.00 H new ATOM 248 N ILE A 14 0.386 -1.553 1.012 1.00 0.00 N ATOM 249 CA ILE A 14 -0.933 -0.969 0.840 1.00 0.00 C ATOM 250 C ILE A 14 -1.689 -1.025 2.169 1.00 0.00 C ATOM 251 O ILE A 14 -1.712 -2.029 2.884 1.00 0.00 O ATOM 252 CB ILE A 14 -1.671 -1.648 -0.317 1.00 0.00 C ATOM 253 CG1 ILE A 14 -0.686 -2.178 -1.361 1.00 0.00 C ATOM 254 CG2 ILE A 14 -2.709 -0.708 -0.932 1.00 0.00 C ATOM 255 CD1 ILE A 14 -0.115 -3.533 -0.938 1.00 0.00 C ATOM 0 H ILE A 14 0.385 -2.519 1.338 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.852 0.082 0.564 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.211 -2.508 0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.188 -2.275 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.126 -1.463 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.219 -1.215 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.437 -0.423 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.212 0.185 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.582 -3.887 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.407 -3.427 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.927 -4.252 -0.828 1.00 0.00 H new HETATM 267 N HYP A 15 -2.348 0.135 2.512 1.00 0.00 N HETATM 268 CA HYP A 15 -3.054 0.322 3.796 1.00 0.00 C HETATM 269 C HYP A 15 -3.951 -0.851 4.257 1.00 0.00 C HETATM 270 O HYP A 15 -4.155 -1.808 3.513 1.00 0.00 O HETATM 271 CB HYP A 15 -3.900 1.591 3.577 1.00 0.00 C HETATM 272 CG HYP A 15 -3.196 2.320 2.430 1.00 0.00 C HETATM 273 CD HYP A 15 -2.758 1.149 1.548 1.00 0.00 C HETATM 274 OD1 HYP A 15 -2.054 2.971 2.962 1.00 0.00 O HETATM 0 HD23 HYP A 15 -1.938 1.429 0.886 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -3.572 0.796 0.915 1.00 0.00 H new HETATM 0 HG HYP A 15 -3.797 3.065 1.908 1.00 0.00 H new HETATM 0 HD1 HYP A 15 -1.584 3.445 2.245 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -4.930 1.343 3.319 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -3.936 2.205 4.477 1.00 0.00 H new HETATM 0 HA HYP A 15 -2.321 0.391 4.600 1.00 0.00 H new ATOM 282 N SER A 16 -4.576 -0.650 5.409 1.00 0.00 N ATOM 283 CA SER A 16 -5.581 -1.583 5.888 1.00 0.00 C ATOM 284 C SER A 16 -6.531 -1.960 4.749 1.00 0.00 C ATOM 285 O SER A 16 -7.531 -1.296 4.465 1.00 0.00 O ATOM 286 CB SER A 16 -6.366 -0.993 7.061 1.00 0.00 C ATOM 287 OG SER A 16 -6.298 -1.820 8.219 1.00 0.00 O ATOM 0 H SER A 16 -4.405 0.146 6.024 1.00 0.00 H new ATOM 0 HA SER A 16 -5.073 -2.481 6.241 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.974 -0.004 7.298 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.408 -0.862 6.770 1.00 0.00 H new ATOM 0 HG SER A 16 -6.810 -1.408 8.946 1.00 0.00 H new HETATM 293 N HYP A 17 -6.188 -3.101 4.058 1.00 0.00 N HETATM 294 CA HYP A 17 -6.916 -3.581 2.866 1.00 0.00 C HETATM 295 C HYP A 17 -8.426 -3.857 3.055 1.00 0.00 C HETATM 296 O HYP A 17 -8.805 -4.858 3.662 1.00 0.00 O HETATM 297 CB HYP A 17 -6.179 -4.877 2.475 1.00 0.00 C HETATM 298 CG HYP A 17 -4.793 -4.729 3.106 1.00 0.00 C HETATM 299 CD HYP A 17 -5.132 -4.037 4.429 1.00 0.00 C HETATM 300 OD1 HYP A 17 -4.033 -3.854 2.290 1.00 0.00 O HETATM 0 HD23 HYP A 17 -4.267 -3.522 4.847 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -5.472 -4.750 5.180 1.00 0.00 H new HETATM 0 HG HYP A 17 -4.230 -5.655 3.224 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -3.571 -3.199 2.854 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -6.696 -5.758 2.854 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -6.114 -4.986 1.392 1.00 0.00 H new HETATM 0 HA HYP A 17 -6.910 -2.800 2.106 1.00 0.00 H new ATOM 308 N ASN A 18 -9.226 -3.036 2.390 1.00 0.00 N ATOM 309 CA ASN A 18 -10.659 -3.272 2.331 1.00 0.00 C ATOM 310 C ASN A 18 -11.292 -2.289 1.345 1.00 0.00 C ATOM 311 O ASN A 18 -10.939 -1.111 1.254 1.00 0.00 O ATOM 312 CB ASN A 18 -11.310 -3.055 3.699 1.00 0.00 C ATOM 313 CG ASN A 18 -12.827 -2.910 3.567 1.00 0.00 C ATOM 314 OD1 ASN A 18 -13.338 -1.973 2.976 1.00 0.00 O ATOM 315 ND2 ASN A 18 -13.516 -3.887 4.149 1.00 0.00 N ATOM 0 H ASN A 18 -8.909 -2.207 1.888 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.819 -4.303 2.015 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.077 -3.895 4.354 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.895 -2.162 4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.535 -3.881 4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.025 -4.642 4.628 1.00 0.00 H new HETATM 322 N HYP A 19 -12.294 -2.815 0.559 1.00 0.00 N HETATM 323 CA HYP A 19 -12.966 -2.063 -0.518 1.00 0.00 C HETATM 324 C HYP A 19 -13.536 -0.677 -0.131 1.00 0.00 C HETATM 325 O HYP A 19 -14.697 -0.571 0.261 1.00 0.00 O HETATM 326 CB HYP A 19 -14.101 -2.999 -0.979 1.00 0.00 C HETATM 327 CG HYP A 19 -13.644 -4.391 -0.535 1.00 0.00 C HETATM 328 CD HYP A 19 -12.977 -4.080 0.807 1.00 0.00 C HETATM 329 OD1 HYP A 19 -12.669 -4.846 -1.459 1.00 0.00 O HETATM 0 HD23 HYP A 19 -12.278 -4.864 1.100 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -13.710 -3.991 1.609 1.00 0.00 H new HETATM 0 HG HYP A 19 -14.429 -5.145 -0.473 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -12.359 -5.737 -1.195 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -15.052 -2.727 -0.521 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -14.242 -2.952 -2.059 1.00 0.00 H new HETATM 0 HA HYP A 19 -12.234 -1.813 -1.286 1.00 0.00 H new ATOM 337 N ARG A 20 -12.739 0.345 -0.405 1.00 0.00 N ATOM 338 CA ARG A 20 -13.202 1.715 -0.257 1.00 0.00 C ATOM 339 C ARG A 20 -12.075 2.695 -0.590 1.00 0.00 C ATOM 340 O ARG A 20 -11.950 3.742 0.043 1.00 0.00 O ATOM 341 CB ARG A 20 -13.693 1.979 1.168 1.00 0.00 C ATOM 342 CG ARG A 20 -14.741 3.093 1.189 1.00 0.00 C ATOM 343 CD ARG A 20 -16.107 2.555 1.615 1.00 0.00 C ATOM 344 NE ARG A 20 -16.386 2.932 3.018 1.00 0.00 N ATOM 345 CZ ARG A 20 -17.591 2.840 3.597 1.00 0.00 C ATOM 346 NH1 ARG A 20 -18.637 2.382 2.895 1.00 0.00 N ATOM 347 NH2 ARG A 20 -17.750 3.206 4.875 1.00 0.00 N ATOM 0 H ARG A 20 -11.776 0.252 -0.728 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.032 1.861 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.119 1.066 1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.850 2.256 1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.426 3.880 1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.817 3.544 0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.883 2.953 0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.128 1.470 1.511 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.612 3.285 3.581 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.515 2.104 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.555 2.311 3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.954 3.555 5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.667 3.136 5.315 1.00 0.00 H new ATOM 361 N ASP A 21 -11.281 2.319 -1.582 1.00 0.00 N ATOM 362 CA ASP A 21 -10.168 3.152 -2.007 1.00 0.00 C ATOM 363 C ASP A 21 -9.878 2.892 -3.486 1.00 0.00 C ATOM 364 O ASP A 21 -9.466 1.795 -3.858 1.00 0.00 O ATOM 365 CB ASP A 21 -8.903 2.826 -1.212 1.00 0.00 C ATOM 366 CG ASP A 21 -8.301 4.004 -0.444 1.00 0.00 C ATOM 367 OD1 ASP A 21 -9.033 5.001 -0.268 1.00 0.00 O ATOM 368 OD2 ASP A 21 -7.121 3.881 -0.049 1.00 0.00 O ATOM 0 H ASP A 21 -11.386 1.449 -2.104 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.442 4.194 -1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.132 2.029 -0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.151 2.437 -1.898 1.00 0.00 H new ATOM 373 N LYS A 22 -10.106 3.920 -4.290 1.00 0.00 N ATOM 374 CA LYS A 22 -9.874 3.817 -5.722 1.00 0.00 C ATOM 375 C LYS A 22 -10.900 2.861 -6.332 1.00 0.00 C ATOM 376 O LYS A 22 -10.802 2.508 -7.506 1.00 0.00 O ATOM 377 CB LYS A 22 -8.422 3.421 -6.001 1.00 0.00 C ATOM 378 CG LYS A 22 -7.916 4.070 -7.291 1.00 0.00 C ATOM 379 CD LYS A 22 -7.775 3.033 -8.407 1.00 0.00 C ATOM 380 CE LYS A 22 -6.940 3.584 -9.565 1.00 0.00 C ATOM 381 NZ LYS A 22 -5.532 3.143 -9.444 1.00 0.00 N ATOM 0 H LYS A 22 -10.449 4.828 -3.978 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.015 4.785 -6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.791 3.724 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.346 2.337 -6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.606 4.854 -7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.953 4.547 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.307 2.131 -8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.762 2.747 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.354 3.243 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.987 4.673 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.979 3.525 -10.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.136 3.489 -8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.491 2.104 -9.462 1.00 0.00 H new ATOM 395 N TRP A 23 -11.862 2.472 -5.508 1.00 0.00 N ATOM 396 CA TRP A 23 -12.906 1.564 -5.953 1.00 0.00 C ATOM 397 C TRP A 23 -13.772 2.303 -6.976 1.00 0.00 C ATOM 398 O TRP A 23 -13.475 3.442 -7.336 1.00 0.00 O ATOM 399 CB TRP A 23 -13.709 1.028 -4.767 1.00 0.00 C ATOM 400 CG TRP A 23 -15.188 1.422 -4.787 1.00 0.00 C ATOM 401 CD1 TRP A 23 -15.718 2.647 -4.670 1.00 0.00 C ATOM 402 CD2 TRP A 23 -16.313 0.530 -4.941 1.00 0.00 C ATOM 403 NE1 TRP A 23 -17.096 2.611 -4.736 1.00 0.00 N ATOM 404 CE2 TRP A 23 -17.469 1.283 -4.906 1.00 0.00 C ATOM 405 CE3 TRP A 23 -16.351 -0.866 -5.104 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -18.749 0.729 -5.028 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -17.638 -1.405 -5.224 1.00 0.00 C ATOM 408 CH2 TRP A 23 -18.811 -0.661 -5.191 1.00 0.00 C ATOM 0 H TRP A 23 -11.941 2.769 -4.535 1.00 0.00 H new ATOM 0 HA TRP A 23 -12.474 0.686 -6.432 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -13.633 -0.059 -4.752 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -13.259 1.391 -3.843 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -15.139 3.550 -4.540 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -17.725 3.412 -4.672 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -15.459 -1.474 -5.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.639 1.340 -4.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -17.725 -2.474 -5.351 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -19.767 -1.153 -5.291 1.00 0.00 H new ATOM 419 N CYS A 24 -14.823 1.627 -7.414 1.00 0.00 N ATOM 420 CA CYS A 24 -15.732 2.205 -8.387 1.00 0.00 C ATOM 421 C CYS A 24 -14.989 2.341 -9.718 1.00 0.00 C ATOM 422 O CYS A 24 -14.273 3.317 -9.936 1.00 0.00 O ATOM 423 CB CYS A 24 -16.296 3.545 -7.908 1.00 0.00 C ATOM 424 SG CYS A 24 -16.633 4.755 -9.239 1.00 0.00 S ATOM 0 H CYS A 24 -15.065 0.683 -7.112 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.593 1.549 -8.518 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -17.221 3.360 -7.362 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.593 3.988 -7.203 1.00 0.00 H new ATOM 429 N ARG A 25 -15.185 1.348 -10.572 1.00 0.00 N ATOM 430 CA ARG A 25 -14.543 1.345 -11.875 1.00 0.00 C ATOM 431 C ARG A 25 -15.439 2.027 -12.911 1.00 0.00 C ATOM 432 O ARG A 25 -14.961 2.471 -13.954 1.00 0.00 O ATOM 433 CB ARG A 25 -14.239 -0.082 -12.336 1.00 0.00 C ATOM 434 CG ARG A 25 -12.920 -0.141 -13.108 1.00 0.00 C ATOM 435 CD ARG A 25 -13.107 -0.830 -14.462 1.00 0.00 C ATOM 436 NE ARG A 25 -12.075 -0.360 -15.415 1.00 0.00 N ATOM 437 CZ ARG A 25 -11.973 -0.787 -16.681 1.00 0.00 C ATOM 438 NH1 ARG A 25 -12.838 -1.695 -17.153 1.00 0.00 N ATOM 439 NH2 ARG A 25 -11.006 -0.306 -17.474 1.00 0.00 N ATOM 0 H ARG A 25 -15.779 0.540 -10.387 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.605 1.893 -11.783 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -14.188 -0.744 -11.471 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.050 -0.444 -12.967 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -12.538 0.868 -13.259 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -12.175 -0.679 -12.522 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -13.038 -1.911 -14.342 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -14.101 -0.616 -14.854 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.400 0.331 -15.087 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.574 -2.061 -16.549 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.761 -2.020 -18.117 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.348 0.385 -17.114 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.928 -0.631 -18.438 1.00 0.00 H new ATOM 453 N LEU A 26 -16.722 2.090 -12.587 1.00 0.00 N ATOM 454 CA LEU A 26 -17.688 2.712 -13.476 1.00 0.00 C ATOM 455 C LEU A 26 -18.260 3.962 -12.806 1.00 0.00 C ATOM 456 O LEU A 26 -17.754 4.406 -11.776 1.00 0.00 O ATOM 457 CB LEU A 26 -18.754 1.700 -13.900 1.00 0.00 C ATOM 458 CG LEU A 26 -18.248 0.474 -14.664 1.00 0.00 C ATOM 459 CD1 LEU A 26 -19.130 -0.746 -14.390 1.00 0.00 C ATOM 460 CD2 LEU A 26 -18.131 0.771 -16.161 1.00 0.00 C ATOM 0 H LEU A 26 -17.115 1.721 -11.721 1.00 0.00 H new ATOM 0 HA LEU A 26 -17.204 3.037 -14.397 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.277 1.357 -13.007 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -19.488 2.214 -14.521 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.248 0.236 -14.303 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.748 -1.603 -14.945 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.119 -0.970 -13.323 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.152 -0.535 -14.706 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.769 -0.116 -16.681 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.109 1.049 -16.554 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.431 1.592 -16.315 1.00 0.00 H new ATOM 472 N ASN A 27 -19.308 4.496 -13.417 1.00 0.00 N ATOM 473 CA ASN A 27 -19.955 5.687 -12.893 1.00 0.00 C ATOM 474 C ASN A 27 -20.752 5.318 -11.640 1.00 0.00 C ATOM 475 O ASN A 27 -21.632 4.460 -11.689 1.00 0.00 O ATOM 476 CB ASN A 27 -20.927 6.281 -13.914 1.00 0.00 C ATOM 477 CG ASN A 27 -20.487 7.684 -14.336 1.00 0.00 C ATOM 478 OD1 ASN A 27 -20.776 8.676 -13.687 1.00 0.00 O ATOM 479 ND2 ASN A 27 -19.774 7.713 -15.459 1.00 0.00 N ATOM 0 H ASN A 27 -19.725 4.125 -14.271 1.00 0.00 H new ATOM 0 HA ASN A 27 -19.181 6.419 -12.665 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -20.981 5.634 -14.790 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -21.929 6.323 -13.486 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -19.434 8.603 -15.825 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -19.567 6.846 -15.954 1.00 0.00 H new ATOM 486 N LEU A 28 -20.417 5.987 -10.546 1.00 0.00 N ATOM 487 CA LEU A 28 -21.091 5.741 -9.283 1.00 0.00 C ATOM 488 C LEU A 28 -22.393 6.543 -9.239 1.00 0.00 C ATOM 489 O LEU A 28 -22.864 7.026 -10.269 1.00 0.00 O ATOM 490 CB LEU A 28 -20.152 6.030 -8.109 1.00 0.00 C ATOM 491 CG LEU A 28 -20.233 5.058 -6.931 1.00 0.00 C ATOM 492 CD1 LEU A 28 -19.631 3.700 -7.297 1.00 0.00 C ATOM 493 CD2 LEU A 28 -19.581 5.656 -5.682 1.00 0.00 C ATOM 0 H LEU A 28 -19.688 6.699 -10.509 1.00 0.00 H new ATOM 0 HA LEU A 28 -21.361 4.689 -9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -19.128 6.034 -8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -20.361 7.034 -7.741 1.00 0.00 H new ATOM 0 HG LEU A 28 -21.285 4.891 -6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -19.702 3.028 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -20.178 3.275 -8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -18.584 3.828 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -19.652 4.945 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -18.532 5.871 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -20.094 6.578 -5.410 1.00 0.00 H new ATOM 505 N GLY A 29 -22.939 6.661 -8.038 1.00 0.00 N ATOM 506 CA GLY A 29 -24.178 7.395 -7.848 1.00 0.00 C ATOM 507 C GLY A 29 -24.257 7.980 -6.436 1.00 0.00 C ATOM 508 O GLY A 29 -23.629 8.977 -6.076 1.00 0.00 O ATOM 0 H GLY A 29 -22.546 6.260 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -24.246 8.198 -8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -25.027 6.733 -8.020 1.00 0.00 H new ATOM 512 N PRO A 30 -25.076 7.321 -5.592 1.00 0.00 N ATOM 513 CA PRO A 30 -25.393 7.842 -4.236 1.00 0.00 C ATOM 514 C PRO A 30 -24.194 8.128 -3.269 1.00 0.00 C ATOM 515 O PRO A 30 -24.238 7.487 -2.220 1.00 0.00 O ATOM 516 CB PRO A 30 -26.385 6.766 -3.738 1.00 0.00 C ATOM 517 CG PRO A 30 -26.030 5.482 -4.500 1.00 0.00 C ATOM 518 CD PRO A 30 -25.582 5.968 -5.880 1.00 0.00 C ATOM 0 HA PRO A 30 -25.789 8.857 -4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -26.294 6.619 -2.662 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -27.415 7.064 -3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -25.237 4.928 -3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -26.888 4.814 -4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -24.809 5.327 -6.305 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -26.407 5.986 -6.592 1.00 0.00 H new ATOM 526 N ALA A 31 -23.239 8.992 -3.581 1.00 0.00 N ATOM 527 CA ALA A 31 -22.137 9.250 -2.669 1.00 0.00 C ATOM 528 C ALA A 31 -20.922 9.727 -3.467 1.00 0.00 C ATOM 529 O ALA A 31 -20.011 10.340 -2.911 1.00 0.00 O ATOM 530 CB ALA A 31 -21.841 7.990 -1.854 1.00 0.00 C ATOM 0 H ALA A 31 -23.205 9.522 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.400 10.039 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -21.015 8.185 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -22.726 7.710 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -21.571 7.176 -2.527 1.00 0.00 H new ATOM 536 N TRP A 32 -20.946 9.428 -4.757 1.00 0.00 N ATOM 537 CA TRP A 32 -19.858 9.818 -5.637 1.00 0.00 C ATOM 538 C TRP A 32 -20.466 10.303 -6.955 1.00 0.00 C ATOM 539 O TRP A 32 -21.553 10.877 -6.967 1.00 0.00 O ATOM 540 CB TRP A 32 -18.864 8.670 -5.823 1.00 0.00 C ATOM 541 CG TRP A 32 -17.398 9.098 -5.755 1.00 0.00 C ATOM 542 CD1 TRP A 32 -16.681 9.740 -6.689 1.00 0.00 C ATOM 543 CD2 TRP A 32 -16.491 8.890 -4.652 1.00 0.00 C ATOM 544 NE1 TRP A 32 -15.385 9.958 -6.269 1.00 0.00 N ATOM 545 CE2 TRP A 32 -15.265 9.425 -4.991 1.00 0.00 C ATOM 546 CE3 TRP A 32 -16.700 8.269 -3.407 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -14.153 9.393 -4.141 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -15.579 8.245 -2.570 1.00 0.00 C ATOM 549 CH2 TRP A 32 -14.338 8.779 -2.896 1.00 0.00 C ATOM 0 H TRP A 32 -21.703 8.920 -5.215 1.00 0.00 H new ATOM 0 HA TRP A 32 -19.282 10.633 -5.199 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -19.048 7.917 -5.057 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -19.049 8.196 -6.787 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -17.069 10.048 -7.649 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -14.649 10.425 -6.799 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -17.651 7.844 -3.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.204 9.819 -4.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -15.686 7.778 -1.602 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -13.520 8.721 -2.193 1.00 0.00 H new ATOM 560 N GLY A 33 -19.737 10.052 -8.033 1.00 0.00 N ATOM 561 CA GLY A 33 -20.191 10.456 -9.354 1.00 0.00 C ATOM 562 C GLY A 33 -19.567 9.578 -10.440 1.00 0.00 C ATOM 563 O GLY A 33 -19.637 8.352 -10.368 1.00 0.00 O ATOM 0 H GLY A 33 -18.836 9.574 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.278 10.388 -9.406 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -19.929 11.499 -9.529 1.00 0.00 H new ATOM 567 N GLY A 34 -18.970 10.239 -11.420 1.00 0.00 N ATOM 568 CA GLY A 34 -18.333 9.535 -12.520 1.00 0.00 C ATOM 569 C GLY A 34 -16.816 9.728 -12.490 1.00 0.00 C ATOM 570 O GLY A 34 -16.265 10.186 -11.490 1.00 0.00 O ATOM 0 H GLY A 34 -18.914 11.256 -11.476 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.569 8.472 -12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.731 9.898 -13.468 1.00 0.00 H new ATOM 574 N ARG A 35 -16.184 9.369 -13.598 1.00 0.00 N ATOM 575 CA ARG A 35 -14.741 9.497 -13.710 1.00 0.00 C ATOM 576 C ARG A 35 -14.069 9.109 -12.392 1.00 0.00 C ATOM 577 O ARG A 35 -13.629 9.975 -11.637 1.00 0.00 O ATOM 578 CB ARG A 35 -14.341 10.927 -14.078 1.00 0.00 C ATOM 579 CG ARG A 35 -12.825 11.047 -14.244 1.00 0.00 C ATOM 580 CD ARG A 35 -12.359 10.358 -15.528 1.00 0.00 C ATOM 581 NE ARG A 35 -11.113 9.602 -15.272 1.00 0.00 N ATOM 582 CZ ARG A 35 -9.907 10.167 -15.126 1.00 0.00 C ATOM 583 NH1 ARG A 35 -9.776 11.497 -15.210 1.00 0.00 N ATOM 584 NH2 ARG A 35 -8.832 9.401 -14.896 1.00 0.00 N ATOM 0 H ARG A 35 -16.644 8.990 -14.425 1.00 0.00 H new ATOM 0 HA ARG A 35 -14.410 8.825 -14.502 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.836 11.220 -15.004 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -14.681 11.614 -13.303 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.540 12.099 -14.267 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.325 10.600 -13.385 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.135 9.684 -15.891 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.190 11.100 -16.308 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.176 8.586 -15.202 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.594 12.080 -15.385 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.858 11.927 -15.099 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.932 8.388 -14.832 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.914 9.831 -14.785 1.00 0.00 H new ATOM 598 N CYS A 36 -14.010 7.807 -12.155 1.00 0.00 N ATOM 599 CA CYS A 36 -13.399 7.295 -10.940 1.00 0.00 C ATOM 600 C CYS A 36 -11.904 7.094 -11.202 1.00 0.00 C ATOM 601 O CYS A 36 -11.190 6.554 -10.359 1.00 0.00 O ATOM 602 CB CYS A 36 -14.073 6.005 -10.468 1.00 0.00 C ATOM 603 SG CYS A 36 -15.138 6.193 -8.991 1.00 0.00 S ATOM 0 H CYS A 36 -14.375 7.091 -12.783 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.533 8.014 -10.132 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -14.675 5.606 -11.285 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -13.301 5.267 -10.251 1.00 0.00 H new TER 608 CYS A 36