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 Single : A 1 TRP N :NH3+ 161:sc= 0.0158 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.378 X(o=0.38,f=-0.0068) 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 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HYP OD1 : rot -160:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.092) 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= -0.209 K(o=-0.21,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 32.721 2.673 -0.038 1.00 0.00 N ATOM 2 CA TRP A 1 32.633 4.005 -0.609 1.00 0.00 C ATOM 3 C TRP A 1 31.404 4.696 -0.013 1.00 0.00 C ATOM 4 O TRP A 1 30.434 4.036 0.353 1.00 0.00 O ATOM 5 CB TRP A 1 32.602 3.947 -2.138 1.00 0.00 C ATOM 6 CG TRP A 1 33.456 5.018 -2.820 1.00 0.00 C ATOM 7 CD1 TRP A 1 33.307 6.349 -2.767 1.00 0.00 C ATOM 8 CD2 TRP A 1 34.605 4.794 -3.664 1.00 0.00 C ATOM 9 NE1 TRP A 1 34.271 6.995 -3.513 1.00 0.00 N ATOM 10 CE2 TRP A 1 35.085 6.020 -4.075 1.00 0.00 C ATOM 11 CE3 TRP A 1 35.217 3.594 -4.066 1.00 0.00 C ATOM 12 CZ2 TRP A 1 36.199 6.166 -4.910 1.00 0.00 C ATOM 13 CZ3 TRP A 1 36.329 3.756 -4.901 1.00 0.00 C ATOM 14 CH2 TRP A 1 36.826 4.983 -5.324 1.00 0.00 C ATOM 0 H1 TRP A 1 33.327 2.077 -0.638 1.00 0.00 H new ATOM 0 H2 TRP A 1 33.129 2.731 0.917 1.00 0.00 H new ATOM 0 H3 TRP A 1 31.770 2.255 0.016 1.00 0.00 H new ATOM 0 HA TRP A 1 33.518 4.590 -0.358 1.00 0.00 H new ATOM 0 HB2 TRP A 1 32.945 2.964 -2.461 1.00 0.00 H new ATOM 0 HB3 TRP A 1 31.570 4.051 -2.474 1.00 0.00 H new ATOM 0 HD1 TRP A 1 32.530 6.852 -2.210 1.00 0.00 H new ATOM 0 HE1 TRP A 1 34.368 8.004 -3.630 1.00 0.00 H new ATOM 0 HE3 TRP A 1 34.858 2.624 -3.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 36.556 7.138 -5.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 36.836 2.865 -5.240 1.00 0.00 H new ATOM 0 HH2 TRP A 1 37.691 5.025 -5.969 1.00 0.00 H new ATOM 25 N GLU A 2 31.487 6.016 0.065 1.00 0.00 N ATOM 26 CA GLU A 2 30.395 6.803 0.611 1.00 0.00 C ATOM 27 C GLU A 2 29.531 7.368 -0.519 1.00 0.00 C ATOM 28 O GLU A 2 30.054 7.871 -1.512 1.00 0.00 O ATOM 29 CB GLU A 2 30.921 7.923 1.512 1.00 0.00 C ATOM 30 CG GLU A 2 31.713 8.951 0.701 1.00 0.00 C ATOM 31 CD GLU A 2 32.246 10.067 1.601 1.00 0.00 C ATOM 32 OE1 GLU A 2 31.404 10.713 2.262 1.00 0.00 O ATOM 33 OE2 GLU A 2 33.482 10.248 1.610 1.00 0.00 O ATOM 0 H GLU A 2 32.294 6.560 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 2 29.775 6.150 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 2 30.087 8.414 2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 2 31.556 7.501 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 2 32.544 8.459 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.076 9.377 -0.074 1.00 0.00 H new ATOM 40 N TRP A 3 28.224 7.265 -0.330 1.00 0.00 N ATOM 41 CA TRP A 3 27.283 7.759 -1.321 1.00 0.00 C ATOM 42 C TRP A 3 26.015 8.203 -0.589 1.00 0.00 C ATOM 43 O TRP A 3 24.890 7.780 -0.862 1.00 0.00 O ATOM 44 CB TRP A 3 27.015 6.704 -2.396 1.00 0.00 C ATOM 45 CG TRP A 3 26.150 5.536 -1.919 1.00 0.00 C ATOM 46 CD1 TRP A 3 24.895 5.237 -2.282 1.00 0.00 C ATOM 47 CD2 TRP A 3 26.528 4.517 -0.971 1.00 0.00 C ATOM 48 NE1 TRP A 3 24.438 4.105 -1.640 1.00 0.00 N ATOM 49 CE2 TRP A 3 25.463 3.651 -0.817 1.00 0.00 C ATOM 50 CE3 TRP A 3 27.730 4.331 -0.266 1.00 0.00 C ATOM 51 CZ2 TRP A 3 25.494 2.542 0.036 1.00 0.00 C ATOM 52 CZ3 TRP A 3 27.745 3.217 0.582 1.00 0.00 C ATOM 53 CH2 TRP A 3 26.682 2.337 0.748 1.00 0.00 C ATOM 0 H TRP A 3 27.794 6.847 0.495 1.00 0.00 H new ATOM 0 HA TRP A 3 27.696 8.617 -1.852 1.00 0.00 H new ATOM 0 HB2 TRP A 3 26.526 7.181 -3.245 1.00 0.00 H new ATOM 0 HB3 TRP A 3 27.968 6.315 -2.754 1.00 0.00 H new ATOM 0 HD1 TRP A 3 24.314 5.811 -2.989 1.00 0.00 H new ATOM 0 HE1 TRP A 3 23.518 3.679 -1.749 1.00 0.00 H new ATOM 0 HE3 TRP A 3 28.575 4.995 -0.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 24.647 1.880 0.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 28.646 3.028 1.147 1.00 0.00 H new ATOM 0 HH2 TRP A 3 26.772 1.499 1.423 1.00 0.00 H new ATOM 64 N PRO A 4 26.210 9.104 0.393 1.00 0.00 N ATOM 65 CA PRO A 4 25.115 9.523 1.307 1.00 0.00 C ATOM 66 C PRO A 4 23.866 10.223 0.671 1.00 0.00 C ATOM 67 O PRO A 4 23.797 11.428 0.908 1.00 0.00 O ATOM 68 CB PRO A 4 25.898 10.389 2.320 1.00 0.00 C ATOM 69 CG PRO A 4 27.123 10.918 1.562 1.00 0.00 C ATOM 70 CD PRO A 4 27.500 9.785 0.607 1.00 0.00 C ATOM 0 HA PRO A 4 24.590 8.670 1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 4 25.283 11.210 2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 4 26.199 9.800 3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.889 11.834 1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.941 11.152 2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.919 10.163 -0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.244 9.118 1.043 1.00 0.00 H new ATOM 78 N TRP A 5 22.980 9.548 -0.047 1.00 0.00 N ATOM 79 CA TRP A 5 21.823 10.211 -0.624 1.00 0.00 C ATOM 80 C TRP A 5 20.957 9.147 -1.303 1.00 0.00 C ATOM 81 O TRP A 5 20.415 9.379 -2.382 1.00 0.00 O ATOM 82 CB TRP A 5 22.251 11.330 -1.576 1.00 0.00 C ATOM 83 CG TRP A 5 22.906 10.833 -2.867 1.00 0.00 C ATOM 84 CD1 TRP A 5 22.306 10.465 -4.007 1.00 0.00 C ATOM 85 CD2 TRP A 5 24.319 10.663 -3.103 1.00 0.00 C ATOM 86 NE1 TRP A 5 23.227 10.073 -4.958 1.00 0.00 N ATOM 87 CE2 TRP A 5 24.489 10.197 -4.390 1.00 0.00 C ATOM 88 CE3 TRP A 5 25.418 10.897 -2.257 1.00 0.00 C ATOM 89 CZ2 TRP A 5 25.745 9.924 -4.948 1.00 0.00 C ATOM 90 CZ3 TRP A 5 26.665 10.619 -2.828 1.00 0.00 C ATOM 91 CH2 TRP A 5 26.853 10.149 -4.123 1.00 0.00 C ATOM 0 H TRP A 5 23.040 8.549 -0.242 1.00 0.00 H new ATOM 0 HA TRP A 5 21.231 10.698 0.151 1.00 0.00 H new ATOM 0 HB2 TRP A 5 21.377 11.930 -1.832 1.00 0.00 H new ATOM 0 HB3 TRP A 5 22.948 11.988 -1.057 1.00 0.00 H new ATOM 0 HD1 TRP A 5 21.237 10.474 -4.162 1.00 0.00 H new ATOM 0 HE1 TRP A 5 23.019 9.752 -5.903 1.00 0.00 H new ATOM 0 HE3 TRP A 5 25.308 11.262 -1.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 25.852 9.560 -5.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 27.543 10.781 -2.220 1.00 0.00 H new ATOM 0 HH2 TRP A 5 27.850 9.958 -4.491 1.00 0.00 H new ATOM 102 N ASN A 6 20.855 8.004 -0.643 1.00 0.00 N ATOM 103 CA ASN A 6 20.065 6.903 -1.168 1.00 0.00 C ATOM 104 C ASN A 6 20.083 5.745 -0.169 1.00 0.00 C ATOM 105 O ASN A 6 20.411 4.615 -0.529 1.00 0.00 O ATOM 106 CB ASN A 6 20.641 6.395 -2.492 1.00 0.00 C ATOM 107 CG ASN A 6 19.554 5.743 -3.348 1.00 0.00 C ATOM 108 OD1 ASN A 6 18.924 6.371 -4.183 1.00 0.00 O ATOM 109 ND2 ASN A 6 19.369 4.451 -3.095 1.00 0.00 N ATOM 0 H ASN A 6 21.307 7.816 0.252 1.00 0.00 H new ATOM 0 HA ASN A 6 19.050 7.264 -1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 6 21.091 7.224 -3.039 1.00 0.00 H new ATOM 0 HB3 ASN A 6 21.435 5.674 -2.295 1.00 0.00 H new ATOM 0 HD21 ASN A 6 18.665 3.925 -3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 6 19.931 3.985 -2.382 1.00 0.00 H new ATOM 116 N ARG A 7 19.726 6.065 1.065 1.00 0.00 N ATOM 117 CA ARG A 7 19.696 5.065 2.119 1.00 0.00 C ATOM 118 C ARG A 7 18.496 5.297 3.039 1.00 0.00 C ATOM 119 O ARG A 7 18.660 5.483 4.244 1.00 0.00 O ATOM 120 CB ARG A 7 20.981 5.102 2.950 1.00 0.00 C ATOM 121 CG ARG A 7 22.051 4.191 2.343 1.00 0.00 C ATOM 122 CD ARG A 7 22.749 3.368 3.429 1.00 0.00 C ATOM 123 NE ARG A 7 24.200 3.660 3.430 1.00 0.00 N ATOM 124 CZ ARG A 7 24.750 4.740 4.004 1.00 0.00 C ATOM 125 NH1 ARG A 7 23.971 5.637 4.625 1.00 0.00 N ATOM 126 NH2 ARG A 7 26.075 4.923 3.956 1.00 0.00 N ATOM 0 H ARG A 7 19.455 7.003 1.359 1.00 0.00 H new ATOM 0 HA ARG A 7 19.610 4.087 1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 7 21.355 6.124 3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 7 20.767 4.788 3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 7 21.594 3.523 1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 7 22.786 4.793 1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 7 22.322 3.601 4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 7 22.584 2.305 3.254 1.00 0.00 H new ATOM 0 HE ARG A 7 24.821 2.998 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 7 22.961 5.498 4.661 1.00 0.00 H new ATOM 0 HH12 ARG A 7 24.388 6.459 5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 7 26.667 4.241 3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 7 26.492 5.745 4.393 1.00 0.00 H new ATOM 140 N LYS A 8 17.316 5.280 2.437 1.00 0.00 N ATOM 141 CA LYS A 8 16.090 5.487 3.187 1.00 0.00 C ATOM 142 C LYS A 8 15.094 4.377 2.844 1.00 0.00 C ATOM 143 O LYS A 8 14.219 4.504 1.985 1.00 0.00 O ATOM 144 CB LYS A 8 15.545 6.896 2.946 1.00 0.00 C ATOM 145 CG LYS A 8 15.326 7.633 4.268 1.00 0.00 C ATOM 146 CD LYS A 8 14.175 8.634 4.155 1.00 0.00 C ATOM 147 CE LYS A 8 14.088 9.516 5.402 1.00 0.00 C ATOM 148 NZ LYS A 8 13.486 8.765 6.526 1.00 0.00 N ATOM 0 H LYS A 8 17.183 5.126 1.437 1.00 0.00 H new ATOM 0 HA LYS A 8 16.284 5.424 4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.242 7.458 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.604 6.837 2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.110 6.913 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 8 16.240 8.155 4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.317 9.259 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.235 8.099 4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.083 9.862 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.491 10.402 5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.434 9.378 7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.528 8.456 6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.072 7.933 6.741 1.00 0.00 H new HETATM 162 N HYP A 9 15.245 3.215 3.569 1.00 0.00 N HETATM 163 CA HYP A 9 14.452 1.994 3.326 1.00 0.00 C HETATM 164 C HYP A 9 12.922 2.125 3.514 1.00 0.00 C HETATM 165 O HYP A 9 12.462 2.593 4.555 1.00 0.00 O HETATM 166 CB HYP A 9 15.028 0.968 4.322 1.00 0.00 C HETATM 167 CG HYP A 9 16.430 1.495 4.637 1.00 0.00 C HETATM 168 CD HYP A 9 16.190 3.007 4.661 1.00 0.00 C HETATM 169 OD1 HYP A 9 17.276 1.163 3.549 1.00 0.00 O HETATM 0 HD23 HYP A 9 17.114 3.563 4.504 1.00 0.00 H new HETATM 0 HD22 HYP A 9 15.779 3.334 5.616 1.00 0.00 H new HETATM 0 HG HYP A 9 16.883 1.106 5.549 1.00 0.00 H new HETATM 0 HD1 HYP A 9 18.182 1.492 3.727 1.00 0.00 H new HETATM 0 HB3 HYP A 9 14.417 0.900 5.222 1.00 0.00 H new HETATM 0 HB2 HYP A 9 15.067 -0.031 3.887 1.00 0.00 H new HETATM 0 HA HYP A 9 14.540 1.716 2.276 1.00 0.00 H new ATOM 177 N THR A 10 12.196 1.563 2.560 1.00 0.00 N ATOM 178 CA THR A 10 10.753 1.455 2.682 1.00 0.00 C ATOM 179 C THR A 10 10.334 -0.013 2.799 1.00 0.00 C ATOM 180 O THR A 10 11.178 -0.906 2.762 1.00 0.00 O ATOM 181 CB THR A 10 10.122 2.173 1.487 1.00 0.00 C ATOM 182 OG1 THR A 10 10.804 3.423 1.435 1.00 0.00 O ATOM 183 CG2 THR A 10 8.662 2.556 1.739 1.00 0.00 C ATOM 0 H THR A 10 12.581 1.177 1.698 1.00 0.00 H new ATOM 0 HA THR A 10 10.397 1.935 3.594 1.00 0.00 H new ATOM 0 HB THR A 10 10.183 1.535 0.606 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.458 3.953 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.262 3.062 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.079 1.657 1.936 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.604 3.222 2.600 1.00 0.00 H new ATOM 191 N LYS A 11 9.033 -0.215 2.936 1.00 0.00 N ATOM 192 CA LYS A 11 8.493 -1.558 3.057 1.00 0.00 C ATOM 193 C LYS A 11 7.215 -1.667 2.224 1.00 0.00 C ATOM 194 O LYS A 11 6.113 -1.707 2.770 1.00 0.00 O ATOM 195 CB LYS A 11 8.299 -1.927 4.530 1.00 0.00 C ATOM 196 CG LYS A 11 7.946 -3.407 4.683 1.00 0.00 C ATOM 197 CD LYS A 11 6.700 -3.588 5.552 1.00 0.00 C ATOM 198 CE LYS A 11 6.187 -5.027 5.483 1.00 0.00 C ATOM 199 NZ LYS A 11 5.330 -5.329 6.652 1.00 0.00 N ATOM 0 H LYS A 11 8.336 0.529 2.966 1.00 0.00 H new ATOM 0 HA LYS A 11 9.197 -2.288 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.210 -1.708 5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.507 -1.314 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.775 -3.847 3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.785 -3.940 5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.933 -3.330 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.919 -2.904 5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.622 -5.174 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.029 -5.718 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.990 -6.310 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.880 -5.208 7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.517 -4.681 6.663 1.00 0.00 H new ATOM 213 N PHE A 12 7.404 -1.714 0.913 1.00 0.00 N ATOM 214 CA PHE A 12 6.280 -1.818 -0.002 1.00 0.00 C ATOM 215 C PHE A 12 5.171 -0.834 0.377 1.00 0.00 C ATOM 216 O PHE A 12 5.271 -0.044 1.320 1.00 0.00 O ATOM 217 CB PHE A 12 5.740 -3.244 0.114 1.00 0.00 C ATOM 218 CG PHE A 12 6.793 -4.279 0.511 1.00 0.00 C ATOM 219 CD1 PHE A 12 7.864 -4.505 -0.298 1.00 0.00 C ATOM 220 CD2 PHE A 12 6.662 -4.973 1.673 1.00 0.00 C ATOM 221 CE1 PHE A 12 8.842 -5.465 0.070 1.00 0.00 C ATOM 222 CE2 PHE A 12 7.641 -5.934 2.041 1.00 0.00 C ATOM 223 CZ PHE A 12 8.711 -6.159 1.233 1.00 0.00 C ATOM 0 H PHE A 12 8.319 -1.682 0.463 1.00 0.00 H new ATOM 0 HA PHE A 12 6.604 -1.586 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.936 -3.258 0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.302 -3.534 -0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.970 -3.953 -1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.813 -4.793 2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 12 9.691 -5.645 -0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.535 -6.486 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.457 -6.888 1.514 1.00 0.00 H new HETATM 233 N HYP A 13 4.046 -0.889 -0.417 1.00 0.00 N HETATM 234 CA HYP A 13 2.907 0.038 -0.281 1.00 0.00 C HETATM 235 C HYP A 13 2.087 -0.073 1.027 1.00 0.00 C HETATM 236 O HYP A 13 2.164 -1.085 1.724 1.00 0.00 O HETATM 237 CB HYP A 13 2.016 -0.279 -1.498 1.00 0.00 C HETATM 238 CG HYP A 13 2.970 -0.937 -2.500 1.00 0.00 C HETATM 239 CD HYP A 13 3.866 -1.761 -1.572 1.00 0.00 C HETATM 240 OD1 HYP A 13 3.732 0.088 -3.116 1.00 0.00 O HETATM 0 HD23 HYP A 13 4.818 -2.005 -2.044 1.00 0.00 H new HETATM 0 HD22 HYP A 13 3.397 -2.705 -1.294 1.00 0.00 H new HETATM 0 HG HYP A 13 2.494 -1.522 -3.287 1.00 0.00 H new HETATM 0 HD1 HYP A 13 4.353 -0.309 -3.762 1.00 0.00 H new HETATM 0 HB3 HYP A 13 1.198 -0.947 -1.229 1.00 0.00 H new HETATM 0 HB2 HYP A 13 1.567 0.625 -1.910 1.00 0.00 H new HETATM 0 HA HYP A 13 3.285 1.059 -0.240 1.00 0.00 H new ATOM 248 N ILE A 14 1.220 0.908 1.223 1.00 0.00 N ATOM 249 CA ILE A 14 0.263 0.855 2.315 1.00 0.00 C ATOM 250 C ILE A 14 -0.945 0.017 1.889 1.00 0.00 C ATOM 251 O ILE A 14 -1.505 0.157 0.800 1.00 0.00 O ATOM 252 CB ILE A 14 -0.101 2.267 2.778 1.00 0.00 C ATOM 253 CG1 ILE A 14 -0.915 2.227 4.074 1.00 0.00 C ATOM 254 CG2 ILE A 14 -0.824 3.038 1.672 1.00 0.00 C ATOM 255 CD1 ILE A 14 -1.036 3.622 4.689 1.00 0.00 C ATOM 0 H ILE A 14 1.160 1.745 0.644 1.00 0.00 H new ATOM 0 HA ILE A 14 0.703 0.363 3.183 1.00 0.00 H new ATOM 0 HB ILE A 14 0.823 2.804 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.909 1.828 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.439 1.552 4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.071 4.038 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.177 3.113 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.740 2.513 1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.619 3.565 5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.042 4.008 4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.534 4.288 3.985 1.00 0.00 H new HETATM 267 N HYP A 15 -1.366 -0.911 2.817 1.00 0.00 N HETATM 268 CA HYP A 15 -2.448 -1.882 2.563 1.00 0.00 C HETATM 269 C HYP A 15 -3.727 -1.320 1.897 1.00 0.00 C HETATM 270 O HYP A 15 -3.850 -0.110 1.711 1.00 0.00 O HETATM 271 CB HYP A 15 -2.778 -2.449 3.958 1.00 0.00 C HETATM 272 CG HYP A 15 -1.513 -2.187 4.779 1.00 0.00 C HETATM 273 CD HYP A 15 -1.079 -0.819 4.243 1.00 0.00 C HETATM 274 OD1 HYP A 15 -0.550 -3.166 4.425 1.00 0.00 O HETATM 0 HD23 HYP A 15 -0.022 -0.631 4.429 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -1.635 -0.008 4.714 1.00 0.00 H new HETATM 0 HG HYP A 15 -1.642 -2.217 5.861 1.00 0.00 H new HETATM 0 HD1 HYP A 15 0.272 -3.017 4.938 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -3.645 -1.954 4.394 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -3.009 -3.513 3.911 1.00 0.00 H new HETATM 0 HA HYP A 15 -2.102 -2.617 1.836 1.00 0.00 H new ATOM 282 N SER A 16 -4.690 -2.211 1.706 1.00 0.00 N ATOM 283 CA SER A 16 -6.007 -1.802 1.249 1.00 0.00 C ATOM 284 C SER A 16 -7.085 -2.630 1.951 1.00 0.00 C ATOM 285 O SER A 16 -7.610 -3.620 1.436 1.00 0.00 O ATOM 286 CB SER A 16 -6.132 -1.947 -0.270 1.00 0.00 C ATOM 287 OG SER A 16 -7.317 -1.333 -0.769 1.00 0.00 O ATOM 0 H SER A 16 -4.584 -3.214 1.859 1.00 0.00 H new ATOM 0 HA SER A 16 -6.145 -0.750 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.262 -1.499 -0.750 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.133 -3.004 -0.534 1.00 0.00 H new ATOM 0 HG SER A 16 -7.359 -1.446 -1.742 1.00 0.00 H new HETATM 293 N HYP A 17 -7.430 -2.188 3.210 1.00 0.00 N HETATM 294 CA HYP A 17 -8.376 -2.900 4.092 1.00 0.00 C HETATM 295 C HYP A 17 -9.821 -3.056 3.559 1.00 0.00 C HETATM 296 O HYP A 17 -10.153 -2.525 2.500 1.00 0.00 O HETATM 297 CB HYP A 17 -8.373 -2.071 5.391 1.00 0.00 C HETATM 298 CG HYP A 17 -7.044 -1.314 5.351 1.00 0.00 C HETATM 299 CD HYP A 17 -6.924 -0.985 3.861 1.00 0.00 C HETATM 300 OD1 HYP A 17 -6.015 -2.214 5.726 1.00 0.00 O HETATM 0 HD23 HYP A 17 -5.892 -0.777 3.577 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -7.511 -0.106 3.595 1.00 0.00 H new HETATM 0 HG HYP A 17 -6.983 -0.442 6.002 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -5.227 -1.708 6.015 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -9.220 -1.386 5.428 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -8.441 -2.710 6.271 1.00 0.00 H new HETATM 0 HA HYP A 17 -8.049 -3.934 4.203 1.00 0.00 H new ATOM 308 N ASN A 18 -10.658 -3.653 4.395 1.00 0.00 N ATOM 309 CA ASN A 18 -12.081 -3.721 4.107 1.00 0.00 C ATOM 310 C ASN A 18 -12.855 -3.863 5.420 1.00 0.00 C ATOM 311 O ASN A 18 -12.303 -4.058 6.505 1.00 0.00 O ATOM 312 CB ASN A 18 -12.408 -4.931 3.231 1.00 0.00 C ATOM 313 CG ASN A 18 -12.964 -4.491 1.875 1.00 0.00 C ATOM 314 OD1 ASN A 18 -12.432 -3.617 1.211 1.00 0.00 O ATOM 315 ND2 ASN A 18 -14.060 -5.145 1.502 1.00 0.00 N ATOM 0 H ASN A 18 -10.378 -4.094 5.271 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.364 -2.809 3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.510 -5.531 3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.135 -5.566 3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.507 -4.925 0.612 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -14.454 -5.866 2.106 1.00 0.00 H new HETATM 322 N HYP A 19 -14.224 -3.759 5.301 1.00 0.00 N HETATM 323 CA HYP A 19 -15.144 -3.771 6.456 1.00 0.00 C HETATM 324 C HYP A 19 -15.308 -5.126 7.184 1.00 0.00 C HETATM 325 O HYP A 19 -16.181 -5.270 8.039 1.00 0.00 O HETATM 326 CB HYP A 19 -16.492 -3.313 5.866 1.00 0.00 C HETATM 327 CG HYP A 19 -16.108 -2.555 4.593 1.00 0.00 C HETATM 328 CD HYP A 19 -14.934 -3.393 4.081 1.00 0.00 C HETATM 329 OD1 HYP A 19 -15.648 -1.269 4.971 1.00 0.00 O HETATM 0 HD23 HYP A 19 -14.299 -2.823 3.402 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -15.276 -4.273 3.535 1.00 0.00 H new HETATM 0 HG HYP A 19 -16.909 -2.426 3.865 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -15.394 -0.764 4.170 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -17.138 -4.162 5.644 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -17.034 -2.673 6.562 1.00 0.00 H new HETATM 0 HA HYP A 19 -14.741 -3.128 7.238 1.00 0.00 H new ATOM 337 N ARG A 20 -14.360 -6.014 6.921 1.00 0.00 N ATOM 338 CA ARG A 20 -14.284 -7.266 7.655 1.00 0.00 C ATOM 339 C ARG A 20 -13.107 -7.237 8.633 1.00 0.00 C ATOM 340 O ARG A 20 -12.553 -8.281 8.974 1.00 0.00 O ATOM 341 CB ARG A 20 -14.119 -8.453 6.704 1.00 0.00 C ATOM 342 CG ARG A 20 -13.483 -8.013 5.384 1.00 0.00 C ATOM 343 CD ARG A 20 -13.087 -9.223 4.536 1.00 0.00 C ATOM 344 NE ARG A 20 -11.686 -9.084 4.078 1.00 0.00 N ATOM 345 CZ ARG A 20 -11.007 -10.045 3.436 1.00 0.00 C ATOM 346 NH1 ARG A 20 -11.596 -11.219 3.172 1.00 0.00 N ATOM 347 NH2 ARG A 20 -9.740 -9.830 3.058 1.00 0.00 N ATOM 0 H ARG A 20 -13.639 -5.891 6.210 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.217 -7.384 8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.499 -9.217 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.091 -8.906 6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.183 -7.389 4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.603 -7.402 5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.199 -10.138 5.118 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.752 -9.309 3.677 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.208 -8.202 4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.561 -11.381 3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.079 -11.950 2.683 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.293 -8.936 3.259 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.223 -10.561 2.569 1.00 0.00 H new ATOM 361 N ASP A 21 -12.760 -6.030 9.056 1.00 0.00 N ATOM 362 CA ASP A 21 -11.659 -5.852 9.987 1.00 0.00 C ATOM 363 C ASP A 21 -12.166 -6.060 11.416 1.00 0.00 C ATOM 364 O ASP A 21 -12.699 -5.137 12.030 1.00 0.00 O ATOM 365 CB ASP A 21 -11.081 -4.439 9.892 1.00 0.00 C ATOM 366 CG ASP A 21 -10.610 -4.026 8.497 1.00 0.00 C ATOM 367 OD1 ASP A 21 -10.100 -4.916 7.783 1.00 0.00 O ATOM 368 OD2 ASP A 21 -10.769 -2.828 8.176 1.00 0.00 O ATOM 0 H ASP A 21 -13.222 -5.166 8.771 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.884 -6.577 9.736 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.837 -3.730 10.228 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.240 -4.359 10.581 1.00 0.00 H new ATOM 373 N LYS A 22 -11.983 -7.279 11.903 1.00 0.00 N ATOM 374 CA LYS A 22 -12.416 -7.620 13.248 1.00 0.00 C ATOM 375 C LYS A 22 -13.841 -7.109 13.466 1.00 0.00 C ATOM 376 O LYS A 22 -14.246 -6.853 14.599 1.00 0.00 O ATOM 377 CB LYS A 22 -11.412 -7.102 14.281 1.00 0.00 C ATOM 378 CG LYS A 22 -10.453 -8.212 14.717 1.00 0.00 C ATOM 379 CD LYS A 22 -8.996 -7.776 14.549 1.00 0.00 C ATOM 380 CE LYS A 22 -8.634 -6.676 15.549 1.00 0.00 C ATOM 381 NZ LYS A 22 -8.214 -5.448 14.840 1.00 0.00 N ATOM 0 H LYS A 22 -11.541 -8.042 11.391 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.442 -8.702 13.377 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.846 -6.272 13.859 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.945 -6.715 15.149 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.641 -8.471 15.759 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.638 -9.110 14.127 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.338 -8.633 14.691 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.835 -7.416 13.533 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.491 -6.460 16.186 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.831 -7.019 16.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.972 -4.712 15.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.383 -5.655 14.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.992 -5.112 14.236 1.00 0.00 H new ATOM 395 N TRP A 23 -14.562 -6.973 12.362 1.00 0.00 N ATOM 396 CA TRP A 23 -15.933 -6.496 12.418 1.00 0.00 C ATOM 397 C TRP A 23 -16.712 -7.408 13.369 1.00 0.00 C ATOM 398 O TRP A 23 -16.123 -8.238 14.059 1.00 0.00 O ATOM 399 CB TRP A 23 -16.547 -6.427 11.018 1.00 0.00 C ATOM 400 CG TRP A 23 -17.716 -7.391 10.804 1.00 0.00 C ATOM 401 CD1 TRP A 23 -17.697 -8.730 10.832 1.00 0.00 C ATOM 402 CD2 TRP A 23 -19.085 -7.033 10.523 1.00 0.00 C ATOM 403 NE1 TRP A 23 -18.948 -9.260 10.592 1.00 0.00 N ATOM 404 CE2 TRP A 23 -19.819 -8.194 10.399 1.00 0.00 C ATOM 405 CE3 TRP A 23 -19.684 -5.769 10.381 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -21.192 -8.208 10.125 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -21.057 -5.800 10.107 1.00 0.00 C ATOM 408 CH2 TRP A 23 -21.811 -6.961 9.979 1.00 0.00 C ATOM 0 H TRP A 23 -14.222 -7.185 11.424 1.00 0.00 H new ATOM 0 HA TRP A 23 -15.972 -5.477 12.803 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.890 -5.409 10.832 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.773 -6.642 10.282 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.813 -9.321 11.019 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -19.189 -10.251 10.562 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -19.129 -4.847 10.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -21.744 -9.132 10.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -21.566 -4.855 9.987 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -22.869 -6.901 9.768 1.00 0.00 H new ATOM 419 N CYS A 24 -18.024 -7.223 13.372 1.00 0.00 N ATOM 420 CA CYS A 24 -18.889 -8.019 14.226 1.00 0.00 C ATOM 421 C CYS A 24 -18.250 -8.103 15.613 1.00 0.00 C ATOM 422 O CYS A 24 -17.707 -9.141 15.989 1.00 0.00 O ATOM 423 CB CYS A 24 -19.150 -9.405 13.633 1.00 0.00 C ATOM 424 SG CYS A 24 -17.644 -10.374 13.257 1.00 0.00 S ATOM 0 H CYS A 24 -18.509 -6.534 12.797 1.00 0.00 H new ATOM 0 HA CYS A 24 -19.865 -7.541 14.305 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -19.766 -9.973 14.330 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -19.729 -9.290 12.717 1.00 0.00 H new ATOM 429 N ARG A 25 -18.335 -6.996 16.338 1.00 0.00 N ATOM 430 CA ARG A 25 -17.771 -6.932 17.675 1.00 0.00 C ATOM 431 C ARG A 25 -18.884 -6.992 18.724 1.00 0.00 C ATOM 432 O ARG A 25 -18.635 -7.326 19.881 1.00 0.00 O ATOM 433 CB ARG A 25 -16.965 -5.646 17.872 1.00 0.00 C ATOM 434 CG ARG A 25 -15.738 -5.898 18.751 1.00 0.00 C ATOM 435 CD ARG A 25 -14.624 -4.897 18.438 1.00 0.00 C ATOM 436 NE ARG A 25 -13.321 -5.431 18.892 1.00 0.00 N ATOM 437 CZ ARG A 25 -12.134 -4.931 18.523 1.00 0.00 C ATOM 438 NH1 ARG A 25 -12.079 -3.882 17.692 1.00 0.00 N ATOM 439 NH2 ARG A 25 -11.002 -5.480 18.986 1.00 0.00 N ATOM 0 H ARG A 25 -18.786 -6.137 16.024 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.106 -7.787 17.795 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -16.650 -5.258 16.903 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -17.595 -4.884 18.331 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -16.017 -5.820 19.802 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.375 -6.913 18.592 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -14.592 -4.700 17.367 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -14.829 -3.947 18.931 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.327 -6.230 19.526 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.941 -3.464 17.340 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.176 -3.501 17.411 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.044 -6.278 19.619 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.098 -5.099 18.705 1.00 0.00 H new ATOM 453 N LEU A 26 -20.089 -6.665 18.281 1.00 0.00 N ATOM 454 CA LEU A 26 -21.241 -6.677 19.167 1.00 0.00 C ATOM 455 C LEU A 26 -22.086 -7.919 18.878 1.00 0.00 C ATOM 456 O LEU A 26 -21.643 -8.828 18.177 1.00 0.00 O ATOM 457 CB LEU A 26 -22.018 -5.364 19.054 1.00 0.00 C ATOM 458 CG LEU A 26 -21.210 -4.085 19.280 1.00 0.00 C ATOM 459 CD1 LEU A 26 -21.085 -3.279 17.985 1.00 0.00 C ATOM 460 CD2 LEU A 26 -21.808 -3.253 20.416 1.00 0.00 C ATOM 0 H LEU A 26 -20.293 -6.390 17.320 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.922 -6.742 20.207 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -22.468 -5.315 18.062 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -22.836 -5.386 19.774 1.00 0.00 H new ATOM 0 HG LEU A 26 -20.202 -4.367 19.583 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.506 -2.375 18.174 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.581 -3.881 17.229 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -22.078 -3.006 17.629 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -21.215 -2.349 20.556 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -22.833 -2.979 20.166 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -21.803 -3.837 21.336 1.00 0.00 H new ATOM 472 N ASN A 27 -23.290 -7.919 19.434 1.00 0.00 N ATOM 473 CA ASN A 27 -24.202 -9.034 19.245 1.00 0.00 C ATOM 474 C ASN A 27 -24.829 -8.944 17.853 1.00 0.00 C ATOM 475 O ASN A 27 -26.008 -8.619 17.720 1.00 0.00 O ATOM 476 CB ASN A 27 -25.331 -9.002 20.276 1.00 0.00 C ATOM 477 CG ASN A 27 -24.941 -9.769 21.541 1.00 0.00 C ATOM 478 OD1 ASN A 27 -24.058 -10.611 21.540 1.00 0.00 O ATOM 479 ND2 ASN A 27 -25.646 -9.432 22.617 1.00 0.00 N ATOM 0 H ASN A 27 -23.654 -7.164 20.015 1.00 0.00 H new ATOM 0 HA ASN A 27 -23.635 -9.958 19.360 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -25.566 -7.969 20.531 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -26.233 -9.437 19.846 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -25.461 -9.887 23.511 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -26.372 -8.718 22.548 1.00 0.00 H new ATOM 486 N LEU A 28 -24.014 -9.239 16.851 1.00 0.00 N ATOM 487 CA LEU A 28 -24.474 -9.195 15.473 1.00 0.00 C ATOM 488 C LEU A 28 -25.715 -10.079 15.327 1.00 0.00 C ATOM 489 O LEU A 28 -26.258 -10.561 16.319 1.00 0.00 O ATOM 490 CB LEU A 28 -23.339 -9.566 14.517 1.00 0.00 C ATOM 491 CG LEU A 28 -23.267 -8.759 13.219 1.00 0.00 C ATOM 492 CD1 LEU A 28 -22.186 -7.677 13.305 1.00 0.00 C ATOM 493 CD2 LEU A 28 -23.063 -9.677 12.012 1.00 0.00 C ATOM 0 H LEU A 28 -23.037 -9.510 16.966 1.00 0.00 H new ATOM 0 HA LEU A 28 -24.769 -8.181 15.202 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -22.393 -9.452 15.046 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -23.436 -10.621 14.261 1.00 0.00 H new ATOM 0 HG LEU A 28 -24.222 -8.251 13.080 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -22.156 -7.118 12.370 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -22.415 -6.998 14.126 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -21.217 -8.144 13.480 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -23.015 -9.078 11.103 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -22.132 -10.232 12.130 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -23.896 -10.377 11.942 1.00 0.00 H new ATOM 505 N GLY A 29 -26.126 -10.265 14.081 1.00 0.00 N ATOM 506 CA GLY A 29 -27.292 -11.082 13.793 1.00 0.00 C ATOM 507 C GLY A 29 -27.063 -11.944 12.548 1.00 0.00 C ATOM 508 O GLY A 29 -25.970 -12.425 12.247 1.00 0.00 O ATOM 0 H GLY A 29 -25.672 -9.864 13.260 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -27.512 -11.722 14.647 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -28.161 -10.442 13.642 1.00 0.00 H new ATOM 512 N PRO A 30 -28.156 -12.146 11.787 1.00 0.00 N ATOM 513 CA PRO A 30 -28.150 -13.086 10.634 1.00 0.00 C ATOM 514 C PRO A 30 -26.982 -12.955 9.599 1.00 0.00 C ATOM 515 O PRO A 30 -27.086 -13.712 8.635 1.00 0.00 O ATOM 516 CB PRO A 30 -29.562 -12.842 10.055 1.00 0.00 C ATOM 517 CG PRO A 30 -29.942 -11.413 10.462 1.00 0.00 C ATOM 518 CD PRO A 30 -29.303 -11.222 11.838 1.00 0.00 C ATOM 0 HA PRO A 30 -27.948 -14.112 10.940 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -29.564 -12.953 8.971 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -30.276 -13.564 10.451 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -29.566 -10.683 9.745 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -31.024 -11.288 10.506 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -28.987 -10.191 11.999 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -29.992 -11.474 12.644 1.00 0.00 H new ATOM 526 N ALA A 31 -25.984 -12.101 9.776 1.00 0.00 N ATOM 527 CA ALA A 31 -24.905 -11.998 8.809 1.00 0.00 C ATOM 528 C ALA A 31 -23.563 -12.008 9.544 1.00 0.00 C ATOM 529 O ALA A 31 -22.905 -10.976 9.655 1.00 0.00 O ATOM 530 CB ALA A 31 -25.097 -10.738 7.963 1.00 0.00 C ATOM 0 H ALA A 31 -25.900 -11.474 10.576 1.00 0.00 H new ATOM 0 HA ALA A 31 -24.915 -12.851 8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.288 -10.660 7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -26.051 -10.794 7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -25.090 -9.861 8.610 1.00 0.00 H new ATOM 536 N TRP A 32 -23.199 -13.188 10.027 1.00 0.00 N ATOM 537 CA TRP A 32 -21.947 -13.345 10.749 1.00 0.00 C ATOM 538 C TRP A 32 -20.951 -14.044 9.821 1.00 0.00 C ATOM 539 O TRP A 32 -21.087 -13.981 8.600 1.00 0.00 O ATOM 540 CB TRP A 32 -22.165 -14.095 12.064 1.00 0.00 C ATOM 541 CG TRP A 32 -21.795 -13.286 13.310 1.00 0.00 C ATOM 542 CD1 TRP A 32 -20.593 -12.803 13.652 1.00 0.00 C ATOM 543 CD2 TRP A 32 -22.688 -12.883 14.370 1.00 0.00 C ATOM 544 NE1 TRP A 32 -20.645 -12.121 14.851 1.00 0.00 N ATOM 545 CE2 TRP A 32 -21.960 -12.171 15.301 1.00 0.00 C ATOM 546 CE3 TRP A 32 -24.064 -13.112 14.536 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -22.521 -11.631 16.464 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -24.612 -12.566 15.704 1.00 0.00 C ATOM 549 CH2 TRP A 32 -23.892 -11.847 16.651 1.00 0.00 C ATOM 0 H TRP A 32 -23.748 -14.042 9.933 1.00 0.00 H new ATOM 0 HA TRP A 32 -21.539 -12.374 11.030 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -23.212 -14.391 12.133 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -21.575 -15.012 12.050 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -19.696 -12.931 13.064 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -19.863 -11.664 15.320 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -24.653 -13.665 13.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -21.929 -11.078 17.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -25.667 -12.714 15.881 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -24.388 -11.457 17.527 1.00 0.00 H new ATOM 560 N GLY A 33 -19.974 -14.692 10.435 1.00 0.00 N ATOM 561 CA GLY A 33 -18.956 -15.401 9.680 1.00 0.00 C ATOM 562 C GLY A 33 -18.608 -16.735 10.344 1.00 0.00 C ATOM 563 O GLY A 33 -19.497 -17.521 10.669 1.00 0.00 O ATOM 0 H GLY A 33 -19.865 -14.741 11.448 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.309 -15.578 8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.060 -14.785 9.603 1.00 0.00 H new ATOM 567 N GLY A 34 -17.313 -16.950 10.527 1.00 0.00 N ATOM 568 CA GLY A 34 -16.838 -18.174 11.146 1.00 0.00 C ATOM 569 C GLY A 34 -16.281 -17.900 12.545 1.00 0.00 C ATOM 570 O GLY A 34 -17.014 -17.956 13.531 1.00 0.00 O ATOM 0 H GLY A 34 -16.578 -16.296 10.257 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.654 -18.894 11.210 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -16.064 -18.624 10.524 1.00 0.00 H new ATOM 574 N ARG A 35 -14.988 -17.612 12.586 1.00 0.00 N ATOM 575 CA ARG A 35 -14.324 -17.328 13.847 1.00 0.00 C ATOM 576 C ARG A 35 -14.278 -15.820 14.096 1.00 0.00 C ATOM 577 O ARG A 35 -13.231 -15.193 13.937 1.00 0.00 O ATOM 578 CB ARG A 35 -12.899 -17.884 13.855 1.00 0.00 C ATOM 579 CG ARG A 35 -12.101 -17.365 12.658 1.00 0.00 C ATOM 580 CD ARG A 35 -11.888 -18.470 11.620 1.00 0.00 C ATOM 581 NE ARG A 35 -10.731 -18.138 10.759 1.00 0.00 N ATOM 582 CZ ARG A 35 -10.036 -19.041 10.054 1.00 0.00 C ATOM 583 NH1 ARG A 35 -10.375 -20.336 10.105 1.00 0.00 N ATOM 584 NH2 ARG A 35 -9.001 -18.650 9.299 1.00 0.00 N ATOM 0 H ARG A 35 -14.383 -17.569 11.766 1.00 0.00 H new ATOM 0 HA ARG A 35 -14.895 -17.812 14.639 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.399 -17.599 14.781 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.930 -18.973 13.831 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.628 -16.528 12.200 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.136 -16.988 12.996 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.718 -19.423 12.121 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.784 -18.586 11.011 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.445 -17.161 10.698 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.162 -20.635 10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.846 -21.023 9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.741 -17.664 9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.472 -19.338 8.763 1.00 0.00 H new ATOM 598 N CYS A 36 -15.424 -15.280 14.480 1.00 0.00 N ATOM 599 CA CYS A 36 -15.527 -13.856 14.753 1.00 0.00 C ATOM 600 C CYS A 36 -15.658 -13.664 16.265 1.00 0.00 C ATOM 601 O CYS A 36 -16.457 -14.338 16.913 1.00 0.00 O ATOM 602 CB CYS A 36 -16.693 -13.218 13.994 1.00 0.00 C ATOM 603 SG CYS A 36 -17.337 -11.673 14.734 1.00 0.00 S ATOM 0 H CYS A 36 -16.290 -15.803 14.609 1.00 0.00 H new ATOM 0 HA CYS A 36 -14.628 -13.350 14.400 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -16.373 -13.009 12.973 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -17.506 -13.941 13.932 1.00 0.00 H new TER 608 CYS A 36