USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=8 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 Set 1.1: A 16 SER OG : rot 180:sc= 0.101 USER MOD Set 1.2: A 17 HYP OD1 : rot 101:sc= 0.101 USER MOD Single : A 1 TRP N :NH3+ 173:sc= 1.27 (180deg=1.22) USER MOD Single : A 6 ASN : amide:sc= -0.3 K(o=-0.3,f=-2.1!) 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 180:sc= 0 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 18 ASN : amide:sc= -0.118 K(o=-0.12,f=-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= -0.166 K(o=-0.17,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 25.107 6.832 -23.187 1.00 0.00 N ATOM 2 CA TRP A 1 23.699 6.783 -23.538 1.00 0.00 C ATOM 3 C TRP A 1 22.930 6.230 -22.336 1.00 0.00 C ATOM 4 O TRP A 1 22.092 6.922 -21.760 1.00 0.00 O ATOM 5 CB TRP A 1 23.480 5.967 -24.814 1.00 0.00 C ATOM 6 CG TRP A 1 22.025 5.933 -25.289 1.00 0.00 C ATOM 7 CD1 TRP A 1 21.221 6.970 -25.560 1.00 0.00 C ATOM 8 CD2 TRP A 1 21.229 4.755 -25.539 1.00 0.00 C ATOM 9 NE1 TRP A 1 19.971 6.549 -25.966 1.00 0.00 N ATOM 10 CE2 TRP A 1 19.976 5.159 -25.952 1.00 0.00 C ATOM 11 CE3 TRP A 1 21.559 3.393 -25.420 1.00 0.00 C ATOM 12 CZ2 TRP A 1 18.951 4.263 -26.280 1.00 0.00 C ATOM 13 CZ3 TRP A 1 20.523 2.511 -25.751 1.00 0.00 C ATOM 14 CH2 TRP A 1 19.256 2.901 -26.169 1.00 0.00 C ATOM 0 H1 TRP A 1 25.665 7.092 -24.025 1.00 0.00 H new ATOM 0 H2 TRP A 1 25.254 7.540 -22.440 1.00 0.00 H new ATOM 0 H3 TRP A 1 25.412 5.899 -22.844 1.00 0.00 H new ATOM 0 HA TRP A 1 23.323 7.781 -23.762 1.00 0.00 H new ATOM 0 HB2 TRP A 1 24.101 6.380 -25.609 1.00 0.00 H new ATOM 0 HB3 TRP A 1 23.820 4.946 -24.643 1.00 0.00 H new ATOM 0 HD1 TRP A 1 21.514 8.006 -25.472 1.00 0.00 H new ATOM 0 HE1 TRP A 1 19.188 7.148 -26.228 1.00 0.00 H new ATOM 0 HE3 TRP A 1 22.533 3.055 -25.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 17.978 4.604 -26.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 20.723 1.452 -25.676 1.00 0.00 H new ATOM 0 HH2 TRP A 1 18.510 2.157 -26.407 1.00 0.00 H new ATOM 25 N GLU A 2 23.243 4.989 -21.994 1.00 0.00 N ATOM 26 CA GLU A 2 22.593 4.336 -20.871 1.00 0.00 C ATOM 27 C GLU A 2 23.146 4.876 -19.550 1.00 0.00 C ATOM 28 O GLU A 2 23.678 4.119 -18.740 1.00 0.00 O ATOM 29 CB GLU A 2 22.754 2.817 -20.952 1.00 0.00 C ATOM 30 CG GLU A 2 24.223 2.413 -20.813 1.00 0.00 C ATOM 31 CD GLU A 2 24.383 1.265 -19.815 1.00 0.00 C ATOM 32 OE1 GLU A 2 24.011 0.131 -20.187 1.00 0.00 O ATOM 33 OE2 GLU A 2 24.877 1.547 -18.701 1.00 0.00 O ATOM 0 H GLU A 2 23.938 4.418 -22.475 1.00 0.00 H new ATOM 0 HA GLU A 2 21.527 4.558 -20.914 1.00 0.00 H new ATOM 0 HB2 GLU A 2 22.167 2.343 -20.165 1.00 0.00 H new ATOM 0 HB3 GLU A 2 22.362 2.456 -21.903 1.00 0.00 H new ATOM 0 HG2 GLU A 2 24.615 2.112 -21.785 1.00 0.00 H new ATOM 0 HG3 GLU A 2 24.810 3.270 -20.484 1.00 0.00 H new ATOM 40 N TRP A 3 23.001 6.182 -19.375 1.00 0.00 N ATOM 41 CA TRP A 3 23.479 6.831 -18.166 1.00 0.00 C ATOM 42 C TRP A 3 22.431 6.624 -17.071 1.00 0.00 C ATOM 43 O TRP A 3 21.219 6.573 -17.292 1.00 0.00 O ATOM 44 CB TRP A 3 23.790 8.307 -18.424 1.00 0.00 C ATOM 45 CG TRP A 3 24.923 8.538 -19.426 1.00 0.00 C ATOM 46 CD1 TRP A 3 24.829 8.959 -20.694 1.00 0.00 C ATOM 47 CD2 TRP A 3 26.333 8.342 -19.190 1.00 0.00 C ATOM 48 NE1 TRP A 3 26.070 9.049 -21.292 1.00 0.00 N ATOM 49 CE2 TRP A 3 27.014 8.661 -20.347 1.00 0.00 C ATOM 50 CE3 TRP A 3 27.012 7.909 -18.037 1.00 0.00 C ATOM 51 CZ2 TRP A 3 28.407 8.582 -20.464 1.00 0.00 C ATOM 52 CZ3 TRP A 3 28.403 7.835 -18.170 1.00 0.00 C ATOM 53 CH2 TRP A 3 29.103 8.153 -19.328 1.00 0.00 C ATOM 0 H TRP A 3 22.560 6.807 -20.050 1.00 0.00 H new ATOM 0 HA TRP A 3 24.419 6.388 -17.836 1.00 0.00 H new ATOM 0 HB2 TRP A 3 22.889 8.799 -18.790 1.00 0.00 H new ATOM 0 HB3 TRP A 3 24.052 8.783 -17.479 1.00 0.00 H new ATOM 0 HD1 TRP A 3 23.898 9.198 -21.187 1.00 0.00 H new ATOM 0 HE1 TRP A 3 26.260 9.345 -22.249 1.00 0.00 H new ATOM 0 HE3 TRP A 3 26.500 7.654 -17.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 28.917 8.838 -21.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 28.973 7.508 -17.313 1.00 0.00 H new ATOM 0 HH2 TRP A 3 30.180 8.069 -19.351 1.00 0.00 H new ATOM 64 N PRO A 4 22.926 6.499 -15.824 1.00 0.00 N ATOM 65 CA PRO A 4 22.065 6.136 -14.667 1.00 0.00 C ATOM 66 C PRO A 4 20.936 7.142 -14.258 1.00 0.00 C ATOM 67 O PRO A 4 21.276 7.941 -13.387 1.00 0.00 O ATOM 68 CB PRO A 4 23.133 5.880 -13.580 1.00 0.00 C ATOM 69 CG PRO A 4 24.348 6.731 -13.978 1.00 0.00 C ATOM 70 CD PRO A 4 24.350 6.704 -15.508 1.00 0.00 C ATOM 0 HA PRO A 4 21.418 5.287 -14.887 1.00 0.00 H new ATOM 0 HB2 PRO A 4 22.763 6.163 -12.594 1.00 0.00 H new ATOM 0 HB3 PRO A 4 23.395 4.823 -13.531 1.00 0.00 H new ATOM 0 HG2 PRO A 4 24.261 7.749 -13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 4 25.272 6.318 -13.573 1.00 0.00 H new ATOM 0 HD2 PRO A 4 24.730 7.635 -15.930 1.00 0.00 H new ATOM 0 HD3 PRO A 4 24.973 5.899 -15.899 1.00 0.00 H new ATOM 78 N TRP A 5 19.734 7.104 -14.814 1.00 0.00 N ATOM 79 CA TRP A 5 18.697 8.041 -14.418 1.00 0.00 C ATOM 80 C TRP A 5 17.433 7.239 -14.098 1.00 0.00 C ATOM 81 O TRP A 5 17.411 6.462 -13.146 1.00 0.00 O ATOM 82 CB TRP A 5 18.474 9.102 -15.497 1.00 0.00 C ATOM 83 CG TRP A 5 18.396 8.539 -16.917 1.00 0.00 C ATOM 84 CD1 TRP A 5 17.994 7.320 -17.300 1.00 0.00 C ATOM 85 CD2 TRP A 5 18.749 9.228 -18.135 1.00 0.00 C ATOM 86 NE1 TRP A 5 18.062 7.172 -18.671 1.00 0.00 N ATOM 87 CE2 TRP A 5 18.535 8.370 -19.195 1.00 0.00 C ATOM 88 CE3 TRP A 5 19.233 10.533 -18.335 1.00 0.00 C ATOM 89 CZ2 TRP A 5 18.778 8.722 -20.528 1.00 0.00 C ATOM 90 CZ3 TRP A 5 19.470 10.870 -19.674 1.00 0.00 C ATOM 91 CH2 TRP A 5 19.260 10.017 -20.751 1.00 0.00 C ATOM 0 H TRP A 5 19.455 6.439 -15.535 1.00 0.00 H new ATOM 0 HA TRP A 5 18.996 8.592 -13.526 1.00 0.00 H new ATOM 0 HB2 TRP A 5 17.551 9.639 -15.279 1.00 0.00 H new ATOM 0 HB3 TRP A 5 19.284 9.829 -15.450 1.00 0.00 H new ATOM 0 HD1 TRP A 5 17.659 6.550 -16.621 1.00 0.00 H new ATOM 0 HE1 TRP A 5 17.811 6.338 -19.202 1.00 0.00 H new ATOM 0 HE3 TRP A 5 19.408 11.221 -17.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 18.603 8.032 -21.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 19.842 11.862 -19.884 1.00 0.00 H new ATOM 0 HH2 TRP A 5 19.468 10.352 -21.756 1.00 0.00 H new ATOM 102 N ASN A 6 16.411 7.457 -14.913 1.00 0.00 N ATOM 103 CA ASN A 6 15.146 6.764 -14.728 1.00 0.00 C ATOM 104 C ASN A 6 14.611 7.053 -13.324 1.00 0.00 C ATOM 105 O ASN A 6 15.152 6.559 -12.337 1.00 0.00 O ATOM 106 CB ASN A 6 15.323 5.250 -14.865 1.00 0.00 C ATOM 107 CG ASN A 6 14.465 4.699 -16.006 1.00 0.00 C ATOM 108 OD1 ASN A 6 13.526 5.327 -16.470 1.00 0.00 O ATOM 109 ND2 ASN A 6 14.837 3.495 -16.430 1.00 0.00 N ATOM 0 H ASN A 6 16.433 8.103 -15.702 1.00 0.00 H new ATOM 0 HA ASN A 6 14.453 7.117 -15.492 1.00 0.00 H new ATOM 0 HB2 ASN A 6 16.372 5.018 -15.049 1.00 0.00 H new ATOM 0 HB3 ASN A 6 15.048 4.762 -13.930 1.00 0.00 H new ATOM 0 HD21 ASN A 6 14.327 3.041 -17.188 1.00 0.00 H new ATOM 0 HD22 ASN A 6 15.632 3.025 -15.997 1.00 0.00 H new ATOM 116 N ARG A 7 13.556 7.853 -13.281 1.00 0.00 N ATOM 117 CA ARG A 7 12.942 8.215 -12.014 1.00 0.00 C ATOM 118 C ARG A 7 11.509 7.682 -11.948 1.00 0.00 C ATOM 119 O ARG A 7 10.555 8.458 -11.924 1.00 0.00 O ATOM 120 CB ARG A 7 12.924 9.732 -11.824 1.00 0.00 C ATOM 121 CG ARG A 7 14.319 10.259 -11.483 1.00 0.00 C ATOM 122 CD ARG A 7 14.503 11.692 -11.986 1.00 0.00 C ATOM 123 NE ARG A 7 15.473 12.409 -11.128 1.00 0.00 N ATOM 124 CZ ARG A 7 16.801 12.367 -11.299 1.00 0.00 C ATOM 125 NH1 ARG A 7 17.326 11.642 -12.296 1.00 0.00 N ATOM 126 NH2 ARG A 7 17.605 13.050 -10.472 1.00 0.00 N ATOM 0 H ARG A 7 13.110 8.261 -14.103 1.00 0.00 H new ATOM 0 HA ARG A 7 13.537 7.768 -11.217 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.563 10.212 -12.734 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.228 9.994 -11.027 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.470 10.227 -10.404 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.075 9.613 -11.930 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.855 11.682 -13.017 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.546 12.214 -11.981 1.00 0.00 H new ATOM 0 HE ARG A 7 15.107 12.970 -10.359 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.714 11.122 -12.925 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.337 11.610 -12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.206 13.602 -9.713 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.616 13.018 -10.602 1.00 0.00 H new ATOM 140 N LYS A 8 11.404 6.361 -11.922 1.00 0.00 N ATOM 141 CA LYS A 8 10.103 5.715 -11.859 1.00 0.00 C ATOM 142 C LYS A 8 10.063 4.774 -10.654 1.00 0.00 C ATOM 143 O LYS A 8 10.250 3.559 -10.749 1.00 0.00 O ATOM 144 CB LYS A 8 9.782 5.028 -13.188 1.00 0.00 C ATOM 145 CG LYS A 8 8.442 5.512 -13.746 1.00 0.00 C ATOM 146 CD LYS A 8 7.642 4.349 -14.337 1.00 0.00 C ATOM 147 CE LYS A 8 6.242 4.804 -14.755 1.00 0.00 C ATOM 148 NZ LYS A 8 6.305 5.587 -16.009 1.00 0.00 N ATOM 0 H LYS A 8 12.198 5.721 -11.943 1.00 0.00 H new ATOM 0 HA LYS A 8 9.317 6.455 -11.711 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.575 5.232 -13.908 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.752 3.948 -13.045 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.865 5.989 -12.954 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.615 6.266 -14.514 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.169 3.942 -15.200 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.564 3.547 -13.603 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.597 3.936 -14.893 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.798 5.408 -13.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.347 5.888 -16.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.904 6.425 -15.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.709 4.999 -16.766 1.00 0.00 H new HETATM 162 N HYP A 9 9.804 5.384 -9.447 1.00 0.00 N HETATM 163 CA HYP A 9 9.818 4.672 -8.154 1.00 0.00 C HETATM 164 C HYP A 9 8.798 3.518 -7.999 1.00 0.00 C HETATM 165 O HYP A 9 7.777 3.495 -8.684 1.00 0.00 O HETATM 166 CB HYP A 9 9.539 5.776 -7.114 1.00 0.00 C HETATM 167 CG HYP A 9 9.943 7.071 -7.822 1.00 0.00 C HETATM 168 CD HYP A 9 9.480 6.793 -9.255 1.00 0.00 C HETATM 169 OD1 HYP A 9 11.358 7.165 -7.788 1.00 0.00 O HETATM 0 HD23 HYP A 9 9.998 7.426 -9.975 1.00 0.00 H new HETATM 0 HD22 HYP A 9 8.413 6.980 -9.376 1.00 0.00 H new HETATM 0 HG HYP A 9 9.533 7.986 -7.395 1.00 0.00 H new HETATM 0 HD1 HYP A 9 11.642 7.988 -8.238 1.00 0.00 H new HETATM 0 HB3 HYP A 9 8.489 5.792 -6.823 1.00 0.00 H new HETATM 0 HB2 HYP A 9 10.119 5.622 -6.204 1.00 0.00 H new HETATM 0 HA HYP A 9 10.775 4.162 -8.040 1.00 0.00 H new ATOM 177 N THR A 10 9.045 2.692 -6.993 1.00 0.00 N ATOM 178 CA THR A 10 8.091 1.664 -6.617 1.00 0.00 C ATOM 179 C THR A 10 7.123 2.196 -5.558 1.00 0.00 C ATOM 180 O THR A 10 7.226 3.348 -5.142 1.00 0.00 O ATOM 181 CB THR A 10 8.876 0.433 -6.158 1.00 0.00 C ATOM 182 OG1 THR A 10 9.961 0.351 -7.079 1.00 0.00 O ATOM 183 CG2 THR A 10 8.104 -0.869 -6.374 1.00 0.00 C ATOM 0 H THR A 10 9.893 2.714 -6.427 1.00 0.00 H new ATOM 0 HA THR A 10 7.470 1.374 -7.464 1.00 0.00 H new ATOM 0 HB THR A 10 9.125 0.535 -5.102 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.523 -0.419 -6.854 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.706 -1.710 -6.031 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.172 -0.837 -5.810 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.883 -0.989 -7.435 1.00 0.00 H new ATOM 191 N LYS A 11 6.205 1.331 -5.153 1.00 0.00 N ATOM 192 CA LYS A 11 5.219 1.700 -4.152 1.00 0.00 C ATOM 193 C LYS A 11 5.000 0.522 -3.200 1.00 0.00 C ATOM 194 O LYS A 11 3.970 -0.147 -3.262 1.00 0.00 O ATOM 195 CB LYS A 11 3.936 2.197 -4.820 1.00 0.00 C ATOM 196 CG LYS A 11 3.232 3.239 -3.949 1.00 0.00 C ATOM 197 CD LYS A 11 2.615 4.345 -4.807 1.00 0.00 C ATOM 198 CE LYS A 11 1.329 4.879 -4.172 1.00 0.00 C ATOM 199 NZ LYS A 11 1.612 6.091 -3.371 1.00 0.00 N ATOM 0 H LYS A 11 6.123 0.375 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 11 5.581 2.534 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.172 2.630 -5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.266 1.356 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.454 2.757 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.945 3.673 -3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.330 5.159 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.400 3.960 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.602 5.111 -4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.884 4.112 -3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.729 6.441 -2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.290 5.859 -2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.016 6.827 -3.985 1.00 0.00 H new ATOM 213 N PHE A 12 5.986 0.304 -2.342 1.00 0.00 N ATOM 214 CA PHE A 12 5.913 -0.781 -1.379 1.00 0.00 C ATOM 215 C PHE A 12 4.534 -0.840 -0.721 1.00 0.00 C ATOM 216 O PHE A 12 3.691 0.053 -0.852 1.00 0.00 O ATOM 217 CB PHE A 12 6.966 -0.497 -0.305 1.00 0.00 C ATOM 218 CG PHE A 12 7.128 0.987 0.030 1.00 0.00 C ATOM 219 CD1 PHE A 12 6.141 1.647 0.692 1.00 0.00 C ATOM 220 CD2 PHE A 12 8.261 1.647 -0.335 1.00 0.00 C ATOM 221 CE1 PHE A 12 6.291 3.024 1.003 1.00 0.00 C ATOM 222 CE2 PHE A 12 8.411 3.024 -0.025 1.00 0.00 C ATOM 223 CZ PHE A 12 7.424 3.683 0.638 1.00 0.00 C ATOM 0 H PHE A 12 6.840 0.860 -2.294 1.00 0.00 H new ATOM 0 HA PHE A 12 6.087 -1.734 -1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 12 6.699 -1.037 0.603 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.926 -0.891 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.242 1.123 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.046 1.123 -0.860 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.507 3.548 1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 12 9.309 3.548 -0.316 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.539 4.730 0.875 1.00 0.00 H new HETATM 233 N HYP A 13 4.296 -1.967 0.034 1.00 0.00 N HETATM 234 CA HYP A 13 2.997 -2.262 0.671 1.00 0.00 C HETATM 235 C HYP A 13 2.500 -1.235 1.716 1.00 0.00 C HETATM 236 O HYP A 13 3.203 -0.944 2.684 1.00 0.00 O HETATM 237 CB HYP A 13 3.207 -3.639 1.331 1.00 0.00 C HETATM 238 CG HYP A 13 4.379 -4.251 0.560 1.00 0.00 C HETATM 239 CD HYP A 13 5.261 -3.024 0.318 1.00 0.00 C HETATM 240 OD1 HYP A 13 3.884 -4.735 -0.677 1.00 0.00 O HETATM 0 HD23 HYP A 13 5.945 -3.179 -0.516 1.00 0.00 H new HETATM 0 HD22 HYP A 13 5.870 -2.788 1.190 1.00 0.00 H new HETATM 0 HG HYP A 13 4.892 -5.071 1.062 1.00 0.00 H new HETATM 0 HD1 HYP A 13 4.619 -5.131 -1.191 1.00 0.00 H new HETATM 0 HB3 HYP A 13 3.436 -3.541 2.392 1.00 0.00 H new HETATM 0 HB2 HYP A 13 2.313 -4.258 1.254 1.00 0.00 H new HETATM 0 HA HYP A 13 2.214 -2.228 -0.087 1.00 0.00 H new ATOM 248 N ILE A 14 1.244 -0.847 1.558 1.00 0.00 N ATOM 249 CA ILE A 14 0.585 -0.020 2.554 1.00 0.00 C ATOM 250 C ILE A 14 -0.907 -0.359 2.585 1.00 0.00 C ATOM 251 O ILE A 14 -1.585 -0.491 1.564 1.00 0.00 O ATOM 252 CB ILE A 14 0.874 1.460 2.298 1.00 0.00 C ATOM 253 CG1 ILE A 14 2.231 1.644 1.617 1.00 0.00 C ATOM 254 CG2 ILE A 14 0.767 2.271 3.591 1.00 0.00 C ATOM 255 CD1 ILE A 14 2.468 3.111 1.253 1.00 0.00 C ATOM 0 H ILE A 14 0.664 -1.090 0.755 1.00 0.00 H new ATOM 0 HA ILE A 14 0.981 -0.231 3.547 1.00 0.00 H new ATOM 0 HB ILE A 14 0.116 1.843 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.024 1.297 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.276 1.031 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.977 3.320 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.240 2.177 3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.488 1.895 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.440 3.214 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.687 3.448 0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.446 3.718 2.158 1.00 0.00 H new HETATM 267 N HYP A 15 -1.445 -0.507 3.845 1.00 0.00 N HETATM 268 CA HYP A 15 -2.838 -0.928 4.093 1.00 0.00 C HETATM 269 C HYP A 15 -3.922 -0.239 3.229 1.00 0.00 C HETATM 270 O HYP A 15 -3.669 0.805 2.631 1.00 0.00 O HETATM 271 CB HYP A 15 -3.065 -0.615 5.585 1.00 0.00 C HETATM 272 CG HYP A 15 -1.655 -0.578 6.181 1.00 0.00 C HETATM 273 CD HYP A 15 -0.862 0.079 5.048 1.00 0.00 C HETATM 274 OD1 HYP A 15 -1.219 -1.915 6.356 1.00 0.00 O HETATM 0 HD23 HYP A 15 0.204 -0.137 5.125 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -0.969 1.164 5.059 1.00 0.00 H new HETATM 0 HG HYP A 15 -1.564 -0.065 7.139 1.00 0.00 H new HETATM 0 HD1 HYP A 15 -0.316 -1.917 6.736 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -3.579 0.337 5.718 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -3.679 -1.378 6.063 1.00 0.00 H new HETATM 0 HA HYP A 15 -2.946 -1.978 3.821 1.00 0.00 H new ATOM 282 N SER A 16 -5.130 -0.774 3.329 1.00 0.00 N ATOM 283 CA SER A 16 -6.283 -0.139 2.713 1.00 0.00 C ATOM 284 C SER A 16 -7.478 -1.093 2.730 1.00 0.00 C ATOM 285 O SER A 16 -8.584 -0.774 3.174 1.00 0.00 O ATOM 286 CB SER A 16 -5.972 0.297 1.280 1.00 0.00 C ATOM 287 OG SER A 16 -6.940 -0.186 0.353 1.00 0.00 O ATOM 0 H SER A 16 -5.335 -1.640 3.827 1.00 0.00 H new ATOM 0 HA SER A 16 -6.530 0.752 3.290 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.936 1.385 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.985 -0.068 0.996 1.00 0.00 H new ATOM 0 HG SER A 16 -6.707 0.115 -0.550 1.00 0.00 H new HETATM 293 N HYP A 17 -7.231 -2.345 2.210 1.00 0.00 N HETATM 294 CA HYP A 17 -8.271 -3.378 2.044 1.00 0.00 C HETATM 295 C HYP A 17 -8.968 -3.859 3.341 1.00 0.00 C HETATM 296 O HYP A 17 -8.368 -4.578 4.139 1.00 0.00 O HETATM 297 CB HYP A 17 -7.533 -4.550 1.368 1.00 0.00 C HETATM 298 CG HYP A 17 -6.317 -3.898 0.707 1.00 0.00 C HETATM 299 CD HYP A 17 -5.939 -2.836 1.744 1.00 0.00 C HETATM 300 OD1 HYP A 17 -6.753 -3.266 -0.485 1.00 0.00 O HETATM 0 HD23 HYP A 17 -5.341 -2.038 1.303 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -5.353 -3.261 2.559 1.00 0.00 H new HETATM 0 HG HYP A 17 -5.503 -4.576 0.452 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -6.844 -2.303 -0.330 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -7.234 -5.305 2.095 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -8.166 -5.048 0.634 1.00 0.00 H new HETATM 0 HA HYP A 17 -9.097 -2.961 1.468 1.00 0.00 H new ATOM 308 N ASN A 18 -10.258 -3.567 3.417 1.00 0.00 N ATOM 309 CA ASN A 18 -11.083 -4.097 4.489 1.00 0.00 C ATOM 310 C ASN A 18 -12.351 -4.714 3.895 1.00 0.00 C ATOM 311 O ASN A 18 -13.381 -4.064 3.697 1.00 0.00 O ATOM 312 CB ASN A 18 -11.505 -2.990 5.458 1.00 0.00 C ATOM 313 CG ASN A 18 -11.776 -1.682 4.712 1.00 0.00 C ATOM 314 OD1 ASN A 18 -12.206 -1.666 3.570 1.00 0.00 O ATOM 315 ND2 ASN A 18 -11.502 -0.589 5.419 1.00 0.00 N ATOM 0 H ASN A 18 -10.752 -2.970 2.754 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.498 -4.844 5.026 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.400 -3.297 5.998 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.722 -2.834 6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.650 0.334 5.010 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.144 -0.673 6.370 1.00 0.00 H new HETATM 322 N HYP A 19 -12.261 -6.055 3.593 1.00 0.00 N HETATM 323 CA HYP A 19 -13.336 -6.813 2.925 1.00 0.00 C HETATM 324 C HYP A 19 -14.624 -7.045 3.752 1.00 0.00 C HETATM 325 O HYP A 19 -15.524 -7.761 3.313 1.00 0.00 O HETATM 326 CB HYP A 19 -12.679 -8.161 2.571 1.00 0.00 C HETATM 327 CG HYP A 19 -11.179 -7.856 2.552 1.00 0.00 C HETATM 328 CD HYP A 19 -11.054 -6.866 3.714 1.00 0.00 C HETATM 329 OD1 HYP A 19 -10.881 -7.200 1.331 1.00 0.00 O HETATM 0 HD23 HYP A 19 -10.152 -6.260 3.631 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -11.007 -7.377 4.675 1.00 0.00 H new HETATM 0 HG HYP A 19 -10.524 -8.723 2.638 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -9.924 -6.992 1.296 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -12.920 -8.927 3.308 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -13.022 -8.529 1.604 1.00 0.00 H new HETATM 0 HA HYP A 19 -13.699 -6.238 2.073 1.00 0.00 H new ATOM 337 N ARG A 20 -14.721 -6.302 4.845 1.00 0.00 N ATOM 338 CA ARG A 20 -15.944 -6.282 5.629 1.00 0.00 C ATOM 339 C ARG A 20 -16.674 -4.950 5.442 1.00 0.00 C ATOM 340 O ARG A 20 -17.404 -4.509 6.328 1.00 0.00 O ATOM 341 CB ARG A 20 -15.647 -6.488 7.117 1.00 0.00 C ATOM 342 CG ARG A 20 -14.219 -6.057 7.456 1.00 0.00 C ATOM 343 CD ARG A 20 -13.922 -6.266 8.942 1.00 0.00 C ATOM 344 NE ARG A 20 -12.816 -7.236 9.104 1.00 0.00 N ATOM 345 CZ ARG A 20 -12.077 -7.353 10.217 1.00 0.00 C ATOM 346 NH1 ARG A 20 -12.323 -6.563 11.270 1.00 0.00 N ATOM 347 NH2 ARG A 20 -11.094 -8.262 10.275 1.00 0.00 N ATOM 0 H ARG A 20 -13.973 -5.710 5.206 1.00 0.00 H new ATOM 0 HA ARG A 20 -16.576 -7.098 5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -16.355 -5.915 7.716 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.785 -7.537 7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.511 -6.628 6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.081 -5.007 7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.655 -5.316 9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.814 -6.630 9.452 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.603 -7.854 8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.072 -5.872 11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.761 -6.652 12.117 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.908 -8.864 9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.531 -8.352 11.121 1.00 0.00 H new ATOM 361 N ASP A 21 -16.450 -4.348 4.284 1.00 0.00 N ATOM 362 CA ASP A 21 -17.076 -3.076 3.969 1.00 0.00 C ATOM 363 C ASP A 21 -18.374 -3.329 3.198 1.00 0.00 C ATOM 364 O ASP A 21 -18.345 -3.600 1.999 1.00 0.00 O ATOM 365 CB ASP A 21 -16.166 -2.215 3.092 1.00 0.00 C ATOM 366 CG ASP A 21 -15.846 -2.805 1.717 1.00 0.00 C ATOM 367 OD1 ASP A 21 -15.523 -4.012 1.678 1.00 0.00 O ATOM 368 OD2 ASP A 21 -15.931 -2.036 0.735 1.00 0.00 O ATOM 0 H ASP A 21 -15.843 -4.718 3.552 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.270 -2.555 4.906 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.636 -1.242 2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.230 -2.044 3.624 1.00 0.00 H new ATOM 373 N LYS A 22 -19.481 -3.229 3.919 1.00 0.00 N ATOM 374 CA LYS A 22 -20.787 -3.443 3.317 1.00 0.00 C ATOM 375 C LYS A 22 -20.868 -4.874 2.783 1.00 0.00 C ATOM 376 O LYS A 22 -21.765 -5.201 2.007 1.00 0.00 O ATOM 377 CB LYS A 22 -21.072 -2.375 2.261 1.00 0.00 C ATOM 378 CG LYS A 22 -22.197 -1.441 2.714 1.00 0.00 C ATOM 379 CD LYS A 22 -22.295 -0.217 1.801 1.00 0.00 C ATOM 380 CE LYS A 22 -23.749 0.069 1.422 1.00 0.00 C ATOM 381 NZ LYS A 22 -23.812 1.012 0.284 1.00 0.00 N ATOM 0 H LYS A 22 -19.501 -3.003 4.913 1.00 0.00 H new ATOM 0 HA LYS A 22 -21.573 -3.336 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -20.168 -1.796 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -21.348 -2.853 1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -23.145 -1.979 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -22.017 -1.120 3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -21.869 0.651 2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -21.706 -0.384 0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -24.252 -0.861 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -24.279 0.487 2.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -24.806 1.195 0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -23.350 1.906 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -23.324 0.599 -0.536 1.00 0.00 H new ATOM 395 N TRP A 23 -19.920 -5.691 3.219 1.00 0.00 N ATOM 396 CA TRP A 23 -19.874 -7.078 2.794 1.00 0.00 C ATOM 397 C TRP A 23 -21.239 -7.707 3.080 1.00 0.00 C ATOM 398 O TRP A 23 -22.161 -7.022 3.520 1.00 0.00 O ATOM 399 CB TRP A 23 -18.721 -7.822 3.472 1.00 0.00 C ATOM 400 CG TRP A 23 -19.168 -8.967 4.383 1.00 0.00 C ATOM 401 CD1 TRP A 23 -19.875 -8.890 5.520 1.00 0.00 C ATOM 402 CD2 TRP A 23 -18.911 -10.373 4.185 1.00 0.00 C ATOM 403 NE1 TRP A 23 -20.090 -10.139 6.067 1.00 0.00 N ATOM 404 CE2 TRP A 23 -19.484 -11.069 5.230 1.00 0.00 C ATOM 405 CE3 TRP A 23 -18.215 -11.035 3.158 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -19.422 -12.463 5.348 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -18.162 -12.428 3.291 1.00 0.00 C ATOM 408 CH2 TRP A 23 -18.734 -13.143 4.337 1.00 0.00 C ATOM 0 H TRP A 23 -19.178 -5.418 3.863 1.00 0.00 H new ATOM 0 HA TRP A 23 -19.676 -7.146 1.724 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -18.058 -8.220 2.704 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -18.139 -7.111 4.058 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -20.231 -7.967 5.953 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -20.600 -10.342 6.927 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -17.758 -10.511 2.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.881 -12.985 6.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -17.640 -12.986 2.528 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -18.648 -14.219 4.369 1.00 0.00 H new ATOM 419 N CYS A 24 -21.325 -9.002 2.816 1.00 0.00 N ATOM 420 CA CYS A 24 -22.564 -9.730 3.039 1.00 0.00 C ATOM 421 C CYS A 24 -23.583 -9.276 1.992 1.00 0.00 C ATOM 422 O CYS A 24 -24.198 -8.220 2.136 1.00 0.00 O ATOM 423 CB CYS A 24 -23.085 -9.537 4.465 1.00 0.00 C ATOM 424 SG CYS A 24 -24.898 -9.330 4.597 1.00 0.00 S ATOM 0 H CYS A 24 -20.558 -9.566 2.450 1.00 0.00 H new ATOM 0 HA CYS A 24 -22.385 -10.800 2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -22.787 -10.397 5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -22.601 -8.662 4.899 1.00 0.00 H new ATOM 429 N ARG A 25 -23.731 -10.096 0.962 1.00 0.00 N ATOM 430 CA ARG A 25 -24.666 -9.792 -0.108 1.00 0.00 C ATOM 431 C ARG A 25 -25.807 -10.811 -0.122 1.00 0.00 C ATOM 432 O ARG A 25 -26.865 -10.555 -0.693 1.00 0.00 O ATOM 433 CB ARG A 25 -23.966 -9.802 -1.469 1.00 0.00 C ATOM 434 CG ARG A 25 -24.543 -8.725 -2.390 1.00 0.00 C ATOM 435 CD ARG A 25 -24.783 -9.276 -3.796 1.00 0.00 C ATOM 436 NE ARG A 25 -24.604 -8.202 -4.799 1.00 0.00 N ATOM 437 CZ ARG A 25 -24.888 -8.335 -6.101 1.00 0.00 C ATOM 438 NH1 ARG A 25 -25.365 -9.497 -6.568 1.00 0.00 N ATOM 439 NH2 ARG A 25 -24.695 -7.306 -6.938 1.00 0.00 N ATOM 0 H ARG A 25 -23.219 -10.971 0.846 1.00 0.00 H new ATOM 0 HA ARG A 25 -25.067 -8.795 0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -22.897 -9.635 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -24.080 -10.782 -1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -25.480 -8.352 -1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -23.858 -7.879 -2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -24.090 -10.093 -3.998 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -25.790 -9.687 -3.867 1.00 0.00 H new ATOM 0 HE ARG A 25 -24.242 -7.304 -4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -25.512 -10.281 -5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -25.581 -9.598 -7.560 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -24.332 -6.421 -6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -24.911 -7.408 -7.930 1.00 0.00 H new ATOM 453 N LEU A 26 -25.553 -11.945 0.513 1.00 0.00 N ATOM 454 CA LEU A 26 -26.546 -13.004 0.582 1.00 0.00 C ATOM 455 C LEU A 26 -26.723 -13.437 2.039 1.00 0.00 C ATOM 456 O LEU A 26 -26.193 -12.802 2.949 1.00 0.00 O ATOM 457 CB LEU A 26 -26.173 -14.150 -0.360 1.00 0.00 C ATOM 458 CG LEU A 26 -24.679 -14.325 -0.646 1.00 0.00 C ATOM 459 CD1 LEU A 26 -23.905 -14.613 0.641 1.00 0.00 C ATOM 460 CD2 LEU A 26 -24.447 -15.400 -1.709 1.00 0.00 C ATOM 0 H LEU A 26 -24.673 -12.154 0.985 1.00 0.00 H new ATOM 0 HA LEU A 26 -27.515 -12.642 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -26.553 -15.080 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -26.689 -13.997 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 26 -24.295 -13.387 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -22.847 -14.733 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -24.033 -13.783 1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -24.283 -15.529 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -23.378 -15.504 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -24.849 -16.351 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -24.948 -15.112 -2.633 1.00 0.00 H new ATOM 472 N ASN A 27 -27.470 -14.518 2.213 1.00 0.00 N ATOM 473 CA ASN A 27 -27.723 -15.044 3.544 1.00 0.00 C ATOM 474 C ASN A 27 -26.403 -15.501 4.167 1.00 0.00 C ATOM 475 O ASN A 27 -25.702 -16.338 3.601 1.00 0.00 O ATOM 476 CB ASN A 27 -28.662 -16.251 3.489 1.00 0.00 C ATOM 477 CG ASN A 27 -29.551 -16.311 4.731 1.00 0.00 C ATOM 478 OD1 ASN A 27 -29.564 -15.417 5.562 1.00 0.00 O ATOM 479 ND2 ASN A 27 -30.294 -17.411 4.814 1.00 0.00 N ATOM 0 H ASN A 27 -27.907 -15.043 1.456 1.00 0.00 H new ATOM 0 HA ASN A 27 -28.184 -14.254 4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -29.283 -16.192 2.595 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -28.077 -17.168 3.411 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -30.921 -17.544 5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -30.236 -18.122 4.085 1.00 0.00 H new ATOM 486 N LEU A 28 -26.104 -14.931 5.325 1.00 0.00 N ATOM 487 CA LEU A 28 -24.879 -15.268 6.032 1.00 0.00 C ATOM 488 C LEU A 28 -25.166 -16.386 7.035 1.00 0.00 C ATOM 489 O LEU A 28 -26.197 -17.051 6.950 1.00 0.00 O ATOM 490 CB LEU A 28 -24.263 -14.018 6.663 1.00 0.00 C ATOM 491 CG LEU A 28 -22.736 -13.938 6.639 1.00 0.00 C ATOM 492 CD1 LEU A 28 -22.245 -13.196 5.394 1.00 0.00 C ATOM 493 CD2 LEU A 28 -22.198 -13.312 7.928 1.00 0.00 C ATOM 0 H LEU A 28 -26.689 -14.238 5.792 1.00 0.00 H new ATOM 0 HA LEU A 28 -24.130 -15.647 5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -24.661 -13.142 6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -24.594 -13.958 7.700 1.00 0.00 H new ATOM 0 HG LEU A 28 -22.343 -14.953 6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -21.156 -13.153 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -22.581 -13.722 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -22.648 -12.183 5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -21.110 -13.267 7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -22.598 -12.304 8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -22.502 -13.918 8.781 1.00 0.00 H new ATOM 505 N GLY A 29 -24.236 -16.559 7.963 1.00 0.00 N ATOM 506 CA GLY A 29 -24.377 -17.586 8.982 1.00 0.00 C ATOM 507 C GLY A 29 -23.531 -17.256 10.212 1.00 0.00 C ATOM 508 O GLY A 29 -23.879 -16.455 11.082 1.00 0.00 O ATOM 0 H GLY A 29 -23.382 -16.005 8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -25.424 -17.676 9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -24.074 -18.551 8.576 1.00 0.00 H new ATOM 512 N PRO A 30 -22.355 -17.909 10.288 1.00 0.00 N ATOM 513 CA PRO A 30 -21.484 -17.829 11.490 1.00 0.00 C ATOM 514 C PRO A 30 -21.001 -16.409 11.943 1.00 0.00 C ATOM 515 O PRO A 30 -19.779 -16.275 11.933 1.00 0.00 O ATOM 516 CB PRO A 30 -20.352 -18.804 11.094 1.00 0.00 C ATOM 517 CG PRO A 30 -20.317 -18.805 9.560 1.00 0.00 C ATOM 518 CD PRO A 30 -21.779 -18.635 9.143 1.00 0.00 C ATOM 0 HA PRO A 30 -22.019 -18.090 12.403 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -19.396 -18.481 11.506 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -20.545 -19.805 11.481 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -19.698 -17.994 9.177 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.900 -19.735 9.173 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.873 -18.070 8.215 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -22.270 -19.595 8.983 1.00 0.00 H new ATOM 526 N ALA A 31 -21.857 -15.464 12.305 1.00 0.00 N ATOM 527 CA ALA A 31 -21.391 -14.155 12.729 1.00 0.00 C ATOM 528 C ALA A 31 -22.499 -13.124 12.495 1.00 0.00 C ATOM 529 O ALA A 31 -22.499 -12.058 13.109 1.00 0.00 O ATOM 530 CB ALA A 31 -20.102 -13.805 11.982 1.00 0.00 C ATOM 0 H ALA A 31 -22.870 -15.579 12.313 1.00 0.00 H new ATOM 0 HA ALA A 31 -21.160 -14.156 13.794 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.752 -12.823 12.300 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.339 -14.551 12.204 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -20.295 -13.791 10.909 1.00 0.00 H new ATOM 536 N TRP A 32 -23.415 -13.478 11.606 1.00 0.00 N ATOM 537 CA TRP A 32 -24.524 -12.597 11.284 1.00 0.00 C ATOM 538 C TRP A 32 -25.794 -13.448 11.197 1.00 0.00 C ATOM 539 O TRP A 32 -25.923 -14.450 11.899 1.00 0.00 O ATOM 540 CB TRP A 32 -24.245 -11.809 10.004 1.00 0.00 C ATOM 541 CG TRP A 32 -24.673 -10.342 10.071 1.00 0.00 C ATOM 542 CD1 TRP A 32 -25.825 -9.799 9.652 1.00 0.00 C ATOM 543 CD2 TRP A 32 -23.904 -9.244 10.607 1.00 0.00 C ATOM 544 NE1 TRP A 32 -25.854 -8.438 9.879 1.00 0.00 N ATOM 545 CE2 TRP A 32 -24.649 -8.090 10.478 1.00 0.00 C ATOM 546 CE3 TRP A 32 -22.621 -9.228 11.182 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -24.196 -6.834 10.901 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -22.183 -7.966 11.599 1.00 0.00 C ATOM 549 CH2 TRP A 32 -22.921 -6.794 11.476 1.00 0.00 C ATOM 0 H TRP A 32 -23.412 -14.363 11.099 1.00 0.00 H new ATOM 0 HA TRP A 32 -24.659 -11.847 12.063 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -23.178 -11.856 9.786 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -24.762 -12.290 9.173 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -26.629 -10.356 9.194 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -26.619 -7.804 9.649 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -22.021 -10.119 11.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -24.798 -5.944 10.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -21.203 -7.898 12.048 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -22.512 -5.857 11.823 1.00 0.00 H new ATOM 560 N GLY A 33 -26.697 -13.019 10.327 1.00 0.00 N ATOM 561 CA GLY A 33 -27.951 -13.728 10.139 1.00 0.00 C ATOM 562 C GLY A 33 -29.137 -12.763 10.171 1.00 0.00 C ATOM 563 O GLY A 33 -29.254 -11.948 11.085 1.00 0.00 O ATOM 0 H GLY A 33 -26.585 -12.189 9.745 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -27.934 -14.257 9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -28.068 -14.480 10.919 1.00 0.00 H new ATOM 567 N GLY A 34 -29.987 -12.887 9.163 1.00 0.00 N ATOM 568 CA GLY A 34 -31.161 -12.036 9.065 1.00 0.00 C ATOM 569 C GLY A 34 -31.003 -11.013 7.939 1.00 0.00 C ATOM 570 O GLY A 34 -30.712 -11.377 6.800 1.00 0.00 O ATOM 0 H GLY A 34 -29.887 -13.564 8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -32.044 -12.648 8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -31.320 -11.519 10.011 1.00 0.00 H new ATOM 574 N ARG A 35 -31.201 -9.753 8.296 1.00 0.00 N ATOM 575 CA ARG A 35 -31.084 -8.673 7.330 1.00 0.00 C ATOM 576 C ARG A 35 -29.640 -8.556 6.838 1.00 0.00 C ATOM 577 O ARG A 35 -28.856 -7.780 7.382 1.00 0.00 O ATOM 578 CB ARG A 35 -31.517 -7.339 7.939 1.00 0.00 C ATOM 579 CG ARG A 35 -30.932 -7.160 9.341 1.00 0.00 C ATOM 580 CD ARG A 35 -31.997 -7.393 10.415 1.00 0.00 C ATOM 581 NE ARG A 35 -32.087 -6.213 11.303 1.00 0.00 N ATOM 582 CZ ARG A 35 -32.481 -4.997 10.899 1.00 0.00 C ATOM 583 NH1 ARG A 35 -32.823 -4.794 9.619 1.00 0.00 N ATOM 584 NH2 ARG A 35 -32.533 -3.984 11.775 1.00 0.00 N ATOM 0 H ARG A 35 -31.442 -9.455 9.241 1.00 0.00 H new ATOM 0 HA ARG A 35 -31.740 -8.906 6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -31.191 -6.520 7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -32.605 -7.293 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -30.106 -7.857 9.486 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -30.523 -6.155 9.442 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -32.963 -7.580 9.946 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -31.749 -8.280 10.999 1.00 0.00 H new ATOM 0 HE ARG A 35 -31.833 -6.332 12.284 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -32.784 -5.565 8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -33.123 -3.869 9.312 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -32.273 -4.138 12.749 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -32.833 -3.059 11.468 1.00 0.00 H new ATOM 598 N CYS A 36 -29.332 -9.338 5.814 1.00 0.00 N ATOM 599 CA CYS A 36 -27.996 -9.332 5.242 1.00 0.00 C ATOM 600 C CYS A 36 -27.995 -8.390 4.036 1.00 0.00 C ATOM 601 O CYS A 36 -28.849 -7.512 3.929 1.00 0.00 O ATOM 602 CB CYS A 36 -27.535 -10.741 4.865 1.00 0.00 C ATOM 603 SG CYS A 36 -25.743 -11.045 5.079 1.00 0.00 S ATOM 0 H CYS A 36 -29.985 -9.980 5.365 1.00 0.00 H new ATOM 0 HA CYS A 36 -27.282 -8.974 5.984 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -28.086 -11.462 5.469 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -27.799 -10.928 3.824 1.00 0.00 H new TER 608 CYS A 36