USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 297 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= 0.522 K(o=1.3,f=-0.65) USER MOD Set 1.2: A 24 THR OG1 : rot 125:sc= 0.787 USER MOD Set 2.1: A 1 LYS N :NH3+ 166:sc= 1.27 (180deg=0) USER MOD Set 2.2: A 28 GLN : amide:sc= 0.521 K(o=1.8,f=-9.9!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -102:sc= 0.12 (180deg=-1.57!) USER MOD Single : A 10 MET CE :methyl -172:sc= 0 (180deg=-0.147) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 28:sc= 1.24 USER MOD Single : A 18 TYR OH : rot 180:sc= 0.586 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= -0.0741 K(o=-0.074,f=-3.4!) USER MOD Single : A 25 ASN : amide:sc= 0.226 K(o=0.23,f=-1.8) USER MOD Single : A 27 SER OG : rot 43:sc= 0.0578 USER MOD Single : A 33 SER OG : rot 172:sc= 1.26 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -119:sc= 1.17 USER MOD Single : A 37 SER OG : rot -64:sc= 1.27 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -46.321 9.510 46.634 1.00 0.00 N ATOM 2 CA LYS A 1 -45.604 10.521 45.811 1.00 0.00 C ATOM 3 C LYS A 1 -44.048 10.329 45.896 1.00 0.00 C ATOM 4 O LYS A 1 -43.512 10.317 47.005 1.00 0.00 O ATOM 5 CB LYS A 1 -46.079 11.965 46.181 1.00 0.00 C ATOM 6 CG LYS A 1 -45.718 12.557 47.580 1.00 0.00 C ATOM 7 CD LYS A 1 -46.140 14.040 47.738 1.00 0.00 C ATOM 8 CE LYS A 1 -45.711 14.643 49.095 1.00 0.00 C ATOM 9 NZ LYS A 1 -46.095 16.087 49.170 1.00 0.00 N ATOM 0 H1 LYS A 1 -47.313 9.798 46.751 1.00 0.00 H new ATOM 0 H2 LYS A 1 -46.283 8.586 46.159 1.00 0.00 H new ATOM 0 H3 LYS A 1 -45.869 9.438 47.568 1.00 0.00 H new ATOM 0 HA LYS A 1 -45.859 10.370 44.762 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -45.681 12.643 45.426 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -47.165 11.986 46.087 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -46.202 11.963 48.355 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -44.643 12.472 47.738 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -45.701 14.626 46.930 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -47.223 14.118 47.637 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -46.182 14.092 49.910 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -44.633 14.540 49.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -45.800 16.477 50.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -45.626 16.611 48.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -47.126 16.178 49.071 1.00 0.00 H new ATOM 25 N LEU A 2 -43.332 10.197 44.764 1.00 0.00 N ATOM 26 CA LEU A 2 -41.842 10.024 44.764 1.00 0.00 C ATOM 27 C LEU A 2 -40.959 11.331 44.924 1.00 0.00 C ATOM 28 O LEU A 2 -40.132 11.348 45.828 1.00 0.00 O ATOM 29 CB LEU A 2 -41.296 9.177 43.560 1.00 0.00 C ATOM 30 CG LEU A 2 -42.138 8.824 42.312 1.00 0.00 C ATOM 31 CD1 LEU A 2 -41.228 8.579 41.090 1.00 0.00 C ATOM 32 CD2 LEU A 2 -42.998 7.596 42.585 1.00 0.00 C ATOM 0 H LEU A 2 -43.747 10.205 43.832 1.00 0.00 H new ATOM 0 HA LEU A 2 -41.718 9.466 45.692 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -40.411 9.698 43.195 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -40.958 8.230 43.980 1.00 0.00 H new ATOM 0 HG LEU A 2 -42.791 9.668 42.089 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -41.841 8.332 40.223 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -40.650 9.479 40.881 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -40.549 7.753 41.302 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -43.586 7.359 41.698 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -42.356 6.750 42.832 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -43.668 7.799 43.420 1.00 0.00 H new ATOM 44 N PRO A 3 -40.922 12.337 44.004 1.00 0.00 N ATOM 45 CA PRO A 3 -39.693 12.529 43.161 1.00 0.00 C ATOM 46 C PRO A 3 -38.272 13.052 43.602 1.00 0.00 C ATOM 47 O PRO A 3 -37.346 12.646 42.887 1.00 0.00 O ATOM 48 CB PRO A 3 -40.254 13.158 41.868 1.00 0.00 C ATOM 49 CG PRO A 3 -41.569 13.780 42.286 1.00 0.00 C ATOM 50 CD PRO A 3 -42.071 12.620 43.132 1.00 0.00 C ATOM 0 HA PRO A 3 -39.239 11.538 43.156 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -39.573 13.906 41.463 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -40.400 12.406 41.092 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -41.445 14.702 42.854 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -42.221 14.009 41.443 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -42.958 12.891 43.705 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -42.338 11.758 42.520 1.00 0.00 H new ATOM 58 N PRO A 4 -37.955 13.880 44.644 1.00 0.00 N ATOM 59 CA PRO A 4 -36.554 14.329 44.923 1.00 0.00 C ATOM 60 C PRO A 4 -35.477 13.204 45.117 1.00 0.00 C ATOM 61 O PRO A 4 -35.310 12.603 46.184 1.00 0.00 O ATOM 62 CB PRO A 4 -36.711 15.221 46.160 1.00 0.00 C ATOM 63 CG PRO A 4 -38.038 14.785 46.790 1.00 0.00 C ATOM 64 CD PRO A 4 -38.931 14.432 45.597 1.00 0.00 C ATOM 0 HA PRO A 4 -36.142 14.838 44.052 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -35.881 15.086 46.853 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -36.730 16.276 45.887 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -37.901 13.929 47.451 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -38.474 15.584 47.390 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -39.699 13.706 45.862 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -39.444 15.307 45.197 1.00 0.00 H new ATOM 72 N GLY A 5 -34.773 12.931 44.018 1.00 0.00 N ATOM 73 CA GLY A 5 -33.950 11.712 43.882 1.00 0.00 C ATOM 74 C GLY A 5 -34.697 10.418 43.467 1.00 0.00 C ATOM 75 O GLY A 5 -34.640 9.458 44.239 1.00 0.00 O ATOM 0 H GLY A 5 -34.752 13.538 43.199 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -33.170 11.907 43.146 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -33.452 11.528 44.834 1.00 0.00 H new ATOM 79 N TRP A 6 -35.363 10.328 42.291 1.00 0.00 N ATOM 80 CA TRP A 6 -36.140 9.138 41.897 1.00 0.00 C ATOM 81 C TRP A 6 -35.509 8.294 40.767 1.00 0.00 C ATOM 82 O TRP A 6 -34.509 8.688 40.161 1.00 0.00 O ATOM 83 CB TRP A 6 -37.574 9.651 41.609 1.00 0.00 C ATOM 84 CG TRP A 6 -37.890 10.363 40.271 1.00 0.00 C ATOM 85 CD1 TRP A 6 -37.887 11.749 39.988 1.00 0.00 C ATOM 86 CD2 TRP A 6 -38.519 9.787 39.190 1.00 0.00 C ATOM 87 NE1 TRP A 6 -38.605 12.059 38.822 1.00 0.00 N ATOM 88 CE2 TRP A 6 -38.984 10.829 38.342 1.00 0.00 C ATOM 89 CE3 TRP A 6 -38.894 8.442 38.951 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -39.868 10.540 37.286 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -39.690 8.176 37.840 1.00 0.00 C ATOM 92 CH2 TRP A 6 -40.171 9.206 37.019 1.00 0.00 C ATOM 0 H TRP A 6 -35.374 11.075 41.596 1.00 0.00 H new ATOM 0 HA TRP A 6 -36.152 8.404 42.703 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -38.245 8.796 41.687 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -37.839 10.339 42.412 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -37.388 12.486 40.600 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -38.799 12.979 38.426 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -38.573 7.648 39.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -40.302 11.334 36.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -39.943 7.153 37.605 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -40.786 8.962 36.166 1.00 0.00 H new ATOM 103 N GLU A 7 -36.106 7.121 40.484 1.00 0.00 N ATOM 104 CA GLU A 7 -35.900 6.436 39.202 1.00 0.00 C ATOM 105 C GLU A 7 -36.972 5.288 39.158 1.00 0.00 C ATOM 106 O GLU A 7 -37.211 4.539 40.112 1.00 0.00 O ATOM 107 CB GLU A 7 -34.432 5.942 38.973 1.00 0.00 C ATOM 108 CG GLU A 7 -34.091 4.820 37.953 1.00 0.00 C ATOM 109 CD GLU A 7 -34.380 4.913 36.468 1.00 0.00 C ATOM 110 OE1 GLU A 7 -35.386 5.505 36.029 1.00 0.00 O ATOM 111 OE2 GLU A 7 -33.652 4.235 35.715 1.00 0.00 O ATOM 0 H GLU A 7 -36.731 6.633 41.125 1.00 0.00 H new ATOM 0 HA GLU A 7 -36.037 7.126 38.370 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -33.847 6.816 38.686 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -34.057 5.611 39.941 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -33.020 4.639 38.045 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -34.597 3.922 38.307 1.00 0.00 H new ATOM 118 N LYS A 8 -37.604 5.128 38.005 1.00 0.00 N ATOM 119 CA LYS A 8 -38.134 3.822 37.508 1.00 0.00 C ATOM 120 C LYS A 8 -37.203 2.550 37.691 1.00 0.00 C ATOM 121 O LYS A 8 -36.186 2.367 37.014 1.00 0.00 O ATOM 122 CB LYS A 8 -38.516 4.218 36.051 1.00 0.00 C ATOM 123 CG LYS A 8 -39.136 3.157 35.118 1.00 0.00 C ATOM 124 CD LYS A 8 -38.123 2.278 34.348 1.00 0.00 C ATOM 125 CE LYS A 8 -37.146 3.033 33.405 1.00 0.00 C ATOM 126 NZ LYS A 8 -35.901 3.413 34.157 1.00 0.00 N ATOM 0 H LYS A 8 -37.777 5.901 37.362 1.00 0.00 H new ATOM 0 HA LYS A 8 -38.967 3.431 38.092 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -39.216 5.051 36.111 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -37.615 4.594 35.567 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -39.778 2.506 35.712 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -39.776 3.663 34.395 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -37.535 1.716 35.073 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -38.679 1.551 33.756 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -36.889 2.403 32.553 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -37.628 3.926 33.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -35.943 4.421 34.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -35.830 2.841 35.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -35.068 3.241 33.559 1.00 0.00 H new ATOM 140 N ARG A 9 -37.556 1.679 38.649 1.00 0.00 N ATOM 141 CA ARG A 9 -36.724 0.582 39.167 1.00 0.00 C ATOM 142 C ARG A 9 -37.553 -0.728 39.044 1.00 0.00 C ATOM 143 O ARG A 9 -38.751 -0.798 39.312 1.00 0.00 O ATOM 144 CB ARG A 9 -36.402 0.863 40.665 1.00 0.00 C ATOM 145 CG ARG A 9 -35.268 1.875 40.942 1.00 0.00 C ATOM 146 CD ARG A 9 -33.867 1.313 40.646 1.00 0.00 C ATOM 147 NE ARG A 9 -32.807 2.293 41.007 1.00 0.00 N ATOM 148 CZ ARG A 9 -31.959 2.866 40.153 1.00 0.00 C ATOM 149 NH1 ARG A 9 -31.764 2.461 38.927 1.00 0.00 N ATOM 150 NH2 ARG A 9 -31.294 3.898 40.557 1.00 0.00 N ATOM 0 H ARG A 9 -38.468 1.722 39.103 1.00 0.00 H new ATOM 0 HA ARG A 9 -35.790 0.494 38.612 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -37.310 1.225 41.148 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -36.142 -0.082 41.142 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -35.430 2.767 40.336 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -35.314 2.186 41.986 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -33.717 0.389 41.205 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -33.789 1.062 39.588 1.00 0.00 H new ATOM 0 HE ARG A 9 -32.722 2.548 41.991 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -32.278 1.657 38.568 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -31.098 2.949 38.329 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -31.426 4.251 41.505 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -30.637 4.360 39.928 1.00 0.00 H new ATOM 164 N MET A 10 -36.867 -1.790 38.671 1.00 0.00 N ATOM 165 CA MET A 10 -37.445 -3.168 38.642 1.00 0.00 C ATOM 166 C MET A 10 -37.856 -3.738 40.040 1.00 0.00 C ATOM 167 O MET A 10 -37.112 -3.582 41.016 1.00 0.00 O ATOM 168 CB MET A 10 -36.465 -4.127 37.907 1.00 0.00 C ATOM 169 CG MET A 10 -36.741 -4.249 36.399 1.00 0.00 C ATOM 170 SD MET A 10 -38.362 -5.008 36.157 1.00 0.00 S ATOM 171 CE MET A 10 -38.884 -4.173 34.656 1.00 0.00 C ATOM 0 H MET A 10 -35.892 -1.749 38.375 1.00 0.00 H new ATOM 0 HA MET A 10 -38.384 -3.095 38.093 1.00 0.00 H new ATOM 0 HB2 MET A 10 -35.445 -3.773 38.054 1.00 0.00 H new ATOM 0 HB3 MET A 10 -36.528 -5.116 38.361 1.00 0.00 H new ATOM 0 HG2 MET A 10 -36.712 -3.265 35.930 1.00 0.00 H new ATOM 0 HG3 MET A 10 -35.968 -4.852 35.922 1.00 0.00 H new ATOM 0 HE1 MET A 10 -39.924 -4.420 34.445 1.00 0.00 H new ATOM 0 HE2 MET A 10 -38.786 -3.095 34.786 1.00 0.00 H new ATOM 0 HE3 MET A 10 -38.259 -4.496 33.824 1.00 0.00 H new ATOM 181 N SER A 11 -39.018 -4.427 40.111 1.00 0.00 N ATOM 182 CA SER A 11 -39.421 -5.256 41.305 1.00 0.00 C ATOM 183 C SER A 11 -38.301 -6.064 42.061 1.00 0.00 C ATOM 184 O SER A 11 -37.374 -6.604 41.452 1.00 0.00 O ATOM 185 CB SER A 11 -40.573 -6.199 40.902 1.00 0.00 C ATOM 186 OG SER A 11 -41.112 -6.872 42.045 1.00 0.00 O ATOM 0 H SER A 11 -39.707 -4.434 39.359 1.00 0.00 H new ATOM 0 HA SER A 11 -39.720 -4.513 42.045 1.00 0.00 H new ATOM 0 HB2 SER A 11 -41.359 -5.628 40.408 1.00 0.00 H new ATOM 0 HB3 SER A 11 -40.212 -6.932 40.181 1.00 0.00 H new ATOM 0 HG SER A 11 -41.842 -7.462 41.763 1.00 0.00 H new ATOM 192 N ARG A 12 -38.397 -6.158 43.402 1.00 0.00 N ATOM 193 CA ARG A 12 -37.327 -6.762 44.265 1.00 0.00 C ATOM 194 C ARG A 12 -37.236 -8.339 44.317 1.00 0.00 C ATOM 195 O ARG A 12 -36.847 -8.926 45.329 1.00 0.00 O ATOM 196 CB ARG A 12 -37.453 -6.117 45.680 1.00 0.00 C ATOM 197 CG ARG A 12 -37.274 -4.580 45.723 1.00 0.00 C ATOM 198 CD ARG A 12 -37.266 -3.994 47.147 1.00 0.00 C ATOM 199 NE ARG A 12 -37.244 -2.511 47.024 1.00 0.00 N ATOM 200 CZ ARG A 12 -37.166 -1.638 48.021 1.00 0.00 C ATOM 201 NH1 ARG A 12 -37.080 -1.970 49.276 1.00 0.00 N ATOM 202 NH2 ARG A 12 -37.172 -0.381 47.727 1.00 0.00 N ATOM 0 H ARG A 12 -39.205 -5.825 43.927 1.00 0.00 H new ATOM 0 HA ARG A 12 -36.374 -6.526 43.792 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -38.433 -6.364 46.088 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -36.711 -6.572 46.336 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -36.339 -4.319 45.228 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -38.078 -4.114 45.153 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -38.147 -4.319 47.700 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -36.395 -4.345 47.701 1.00 0.00 H new ATOM 0 HE ARG A 12 -37.294 -2.127 46.080 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -37.069 -2.954 49.544 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -37.023 -1.246 49.992 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -37.235 -0.085 46.753 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -37.113 0.317 48.469 1.00 0.00 H new ATOM 216 N SER A 13 -37.548 -8.995 43.195 1.00 0.00 N ATOM 217 CA SER A 13 -37.341 -10.453 42.959 1.00 0.00 C ATOM 218 C SER A 13 -37.464 -10.734 41.420 1.00 0.00 C ATOM 219 O SER A 13 -36.447 -10.880 40.739 1.00 0.00 O ATOM 220 CB SER A 13 -38.258 -11.328 43.862 1.00 0.00 C ATOM 221 OG SER A 13 -38.033 -12.718 43.618 1.00 0.00 O ATOM 0 H SER A 13 -37.965 -8.524 42.392 1.00 0.00 H new ATOM 0 HA SER A 13 -36.336 -10.748 43.261 1.00 0.00 H new ATOM 0 HB2 SER A 13 -38.065 -11.102 44.911 1.00 0.00 H new ATOM 0 HB3 SER A 13 -39.303 -11.085 43.671 1.00 0.00 H new ATOM 0 HG SER A 13 -38.618 -13.251 44.197 1.00 0.00 H new ATOM 227 N SER A 14 -38.692 -10.791 40.862 1.00 0.00 N ATOM 228 CA SER A 14 -38.960 -11.010 39.409 1.00 0.00 C ATOM 229 C SER A 14 -40.490 -10.817 39.146 1.00 0.00 C ATOM 230 O SER A 14 -41.321 -11.509 39.745 1.00 0.00 O ATOM 231 CB SER A 14 -38.515 -12.416 38.921 1.00 0.00 C ATOM 232 OG SER A 14 -37.096 -12.485 38.780 1.00 0.00 O ATOM 0 H SER A 14 -39.545 -10.685 41.411 1.00 0.00 H new ATOM 0 HA SER A 14 -38.374 -10.283 38.847 1.00 0.00 H new ATOM 0 HB2 SER A 14 -38.851 -13.173 39.629 1.00 0.00 H new ATOM 0 HB3 SER A 14 -38.990 -12.640 37.966 1.00 0.00 H new ATOM 0 HG SER A 14 -36.674 -11.860 39.406 1.00 0.00 H new ATOM 238 N GLY A 15 -40.885 -9.888 38.256 1.00 0.00 N ATOM 239 CA GLY A 15 -42.312 -9.746 37.860 1.00 0.00 C ATOM 240 C GLY A 15 -42.753 -8.421 37.211 1.00 0.00 C ATOM 241 O GLY A 15 -43.229 -8.419 36.075 1.00 0.00 O ATOM 0 H GLY A 15 -40.253 -9.230 37.800 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -42.548 -10.553 37.166 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -42.923 -9.902 38.749 1.00 0.00 H new ATOM 245 N ARG A 16 -42.699 -7.321 37.974 1.00 0.00 N ATOM 246 CA ARG A 16 -43.119 -5.967 37.516 1.00 0.00 C ATOM 247 C ARG A 16 -41.939 -4.931 37.562 1.00 0.00 C ATOM 248 O ARG A 16 -40.825 -5.191 38.012 1.00 0.00 O ATOM 249 CB ARG A 16 -44.373 -5.538 38.367 1.00 0.00 C ATOM 250 CG ARG A 16 -45.768 -5.719 37.714 1.00 0.00 C ATOM 251 CD ARG A 16 -46.137 -7.168 37.369 1.00 0.00 C ATOM 252 NE ARG A 16 -47.535 -7.216 36.858 1.00 0.00 N ATOM 253 CZ ARG A 16 -48.061 -8.208 36.146 1.00 0.00 C ATOM 254 NH1 ARG A 16 -47.391 -9.263 35.771 1.00 0.00 N ATOM 255 NH2 ARG A 16 -49.306 -8.121 35.803 1.00 0.00 N ATOM 0 H ARG A 16 -42.361 -7.334 38.936 1.00 0.00 H new ATOM 0 HA ARG A 16 -43.403 -5.995 36.464 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -44.360 -6.105 39.298 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -44.258 -4.487 38.632 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -46.524 -5.318 38.389 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -45.806 -5.123 36.802 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -45.451 -7.561 36.619 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -46.039 -7.800 38.252 1.00 0.00 H new ATOM 0 HE ARG A 16 -48.139 -6.422 37.072 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -46.407 -9.359 36.024 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -47.851 -9.992 35.225 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -49.855 -7.307 36.079 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -49.738 -8.866 35.257 1.00 0.00 H new ATOM 269 N VAL A 17 -42.216 -3.720 37.089 1.00 0.00 N ATOM 270 CA VAL A 17 -41.512 -2.469 37.494 1.00 0.00 C ATOM 271 C VAL A 17 -42.212 -1.791 38.730 1.00 0.00 C ATOM 272 O VAL A 17 -43.368 -2.061 39.063 1.00 0.00 O ATOM 273 CB VAL A 17 -41.409 -1.542 36.227 1.00 0.00 C ATOM 274 CG1 VAL A 17 -42.764 -1.257 35.560 1.00 0.00 C ATOM 275 CG2 VAL A 17 -40.752 -0.160 36.454 1.00 0.00 C ATOM 0 H VAL A 17 -42.949 -3.558 36.398 1.00 0.00 H new ATOM 0 HA VAL A 17 -40.501 -2.684 37.840 1.00 0.00 H new ATOM 0 HB VAL A 17 -40.765 -2.146 35.588 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -42.615 -0.612 34.694 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -43.216 -2.196 35.240 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -43.423 -0.761 36.273 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -40.734 0.393 35.515 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -41.326 0.399 37.193 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -39.732 -0.297 36.814 1.00 0.00 H new ATOM 285 N TYR A 18 -41.517 -0.856 39.381 1.00 0.00 N ATOM 286 CA TYR A 18 -42.126 0.212 40.202 1.00 0.00 C ATOM 287 C TYR A 18 -41.409 1.592 39.935 1.00 0.00 C ATOM 288 O TYR A 18 -40.305 1.676 39.390 1.00 0.00 O ATOM 289 CB TYR A 18 -42.189 -0.287 41.676 1.00 0.00 C ATOM 290 CG TYR A 18 -40.876 -0.554 42.427 1.00 0.00 C ATOM 291 CD1 TYR A 18 -40.269 -1.804 42.319 1.00 0.00 C ATOM 292 CD2 TYR A 18 -40.284 0.429 43.221 1.00 0.00 C ATOM 293 CE1 TYR A 18 -39.067 -2.061 42.974 1.00 0.00 C ATOM 294 CE2 TYR A 18 -39.086 0.165 43.879 1.00 0.00 C ATOM 295 CZ TYR A 18 -38.468 -1.073 43.744 1.00 0.00 C ATOM 296 OH TYR A 18 -37.242 -1.314 44.302 1.00 0.00 O ATOM 0 H TYR A 18 -40.498 -0.812 39.357 1.00 0.00 H new ATOM 0 HA TYR A 18 -43.159 0.422 39.925 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -42.752 0.449 42.249 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -42.768 -1.210 41.687 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -40.733 -2.577 41.724 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -40.755 1.395 43.325 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -38.600 -3.031 42.883 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -38.634 0.926 44.498 1.00 0.00 H new ATOM 0 HH TYR A 18 -36.954 -0.528 44.811 1.00 0.00 H new ATOM 306 N TYR A 19 -42.056 2.704 40.295 1.00 0.00 N ATOM 307 CA TYR A 19 -41.368 4.010 40.508 1.00 0.00 C ATOM 308 C TYR A 19 -40.924 4.187 41.996 1.00 0.00 C ATOM 309 O TYR A 19 -41.589 3.757 42.946 1.00 0.00 O ATOM 310 CB TYR A 19 -42.328 5.165 40.120 1.00 0.00 C ATOM 311 CG TYR A 19 -42.471 5.693 38.684 1.00 0.00 C ATOM 312 CD1 TYR A 19 -41.762 5.182 37.606 1.00 0.00 C ATOM 313 CD2 TYR A 19 -43.203 6.863 38.499 1.00 0.00 C ATOM 314 CE1 TYR A 19 -41.874 5.756 36.342 1.00 0.00 C ATOM 315 CE2 TYR A 19 -43.262 7.480 37.250 1.00 0.00 C ATOM 316 CZ TYR A 19 -42.648 6.891 36.158 1.00 0.00 C ATOM 317 OH TYR A 19 -42.697 7.507 34.937 1.00 0.00 O ATOM 0 H TYR A 19 -43.064 2.740 40.450 1.00 0.00 H new ATOM 0 HA TYR A 19 -40.476 4.030 39.882 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -43.325 4.857 40.436 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -42.048 6.019 40.736 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -41.115 4.329 37.749 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -43.732 7.298 39.334 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -41.356 5.315 35.503 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -43.786 8.417 37.135 1.00 0.00 H new ATOM 0 HH TYR A 19 -43.288 8.287 34.987 1.00 0.00 H new ATOM 327 N PHE A 20 -39.786 4.868 42.178 1.00 0.00 N ATOM 328 CA PHE A 20 -39.076 4.904 43.482 1.00 0.00 C ATOM 329 C PHE A 20 -38.392 6.247 43.862 1.00 0.00 C ATOM 330 O PHE A 20 -37.715 6.824 43.022 1.00 0.00 O ATOM 331 CB PHE A 20 -38.047 3.731 43.478 1.00 0.00 C ATOM 332 CG PHE A 20 -37.382 3.409 44.832 1.00 0.00 C ATOM 333 CD1 PHE A 20 -38.149 3.141 45.953 1.00 0.00 C ATOM 334 CD2 PHE A 20 -36.005 3.438 44.948 1.00 0.00 C ATOM 335 CE1 PHE A 20 -37.551 2.908 47.183 1.00 0.00 C ATOM 336 CE2 PHE A 20 -35.393 3.206 46.174 1.00 0.00 C ATOM 337 CZ PHE A 20 -36.135 2.909 47.350 1.00 0.00 C ATOM 0 H PHE A 20 -39.329 5.406 41.442 1.00 0.00 H new ATOM 0 HA PHE A 20 -39.834 4.797 44.258 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -38.551 2.833 43.121 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -37.263 3.964 42.757 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -39.225 3.113 45.869 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -35.399 3.643 44.078 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -38.178 2.720 48.042 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -34.316 3.253 46.236 1.00 0.00 H new ATOM 0 HZ PHE A 20 -35.662 2.700 48.298 1.00 0.00 H new ATOM 347 N ASN A 21 -38.468 6.669 45.139 1.00 0.00 N ATOM 348 CA ASN A 21 -37.525 7.641 45.755 1.00 0.00 C ATOM 349 C ASN A 21 -36.354 6.910 46.516 1.00 0.00 C ATOM 350 O ASN A 21 -36.612 6.198 47.489 1.00 0.00 O ATOM 351 CB ASN A 21 -38.363 8.526 46.735 1.00 0.00 C ATOM 352 CG ASN A 21 -37.827 9.803 47.386 1.00 0.00 C ATOM 353 OD1 ASN A 21 -38.544 10.548 48.041 1.00 0.00 O ATOM 354 ND2 ASN A 21 -36.558 10.051 47.341 1.00 0.00 N ATOM 0 H ASN A 21 -39.190 6.346 45.783 1.00 0.00 H new ATOM 0 HA ASN A 21 -37.053 8.251 44.985 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -39.266 8.812 46.195 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -38.673 7.872 47.550 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -36.177 10.852 47.844 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -35.939 9.445 46.802 1.00 0.00 H new ATOM 361 N HIS A 22 -35.079 7.154 46.155 1.00 0.00 N ATOM 362 CA HIS A 22 -33.889 6.599 46.879 1.00 0.00 C ATOM 363 C HIS A 22 -33.660 7.059 48.358 1.00 0.00 C ATOM 364 O HIS A 22 -33.309 6.251 49.217 1.00 0.00 O ATOM 365 CB HIS A 22 -32.604 6.925 46.054 1.00 0.00 C ATOM 366 CG HIS A 22 -32.551 6.375 44.640 1.00 0.00 C ATOM 367 ND1 HIS A 22 -32.958 7.098 43.549 1.00 0.00 N ATOM 368 CD2 HIS A 22 -32.575 5.013 44.350 1.00 0.00 C ATOM 369 CE1 HIS A 22 -33.313 6.078 42.723 1.00 0.00 C ATOM 370 NE2 HIS A 22 -33.060 4.778 43.076 1.00 0.00 N ATOM 0 H HIS A 22 -34.832 7.739 45.357 1.00 0.00 H new ATOM 0 HA HIS A 22 -34.103 5.533 46.960 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -32.497 8.009 46.003 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -31.741 6.544 46.601 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -32.986 8.107 43.400 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -32.256 4.239 45.033 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -33.798 6.294 41.782 1.00 0.00 H new ATOM 378 N ILE A 23 -33.790 8.366 48.613 1.00 0.00 N ATOM 379 CA ILE A 23 -33.418 9.020 49.908 1.00 0.00 C ATOM 380 C ILE A 23 -34.456 8.714 51.051 1.00 0.00 C ATOM 381 O ILE A 23 -34.091 8.265 52.138 1.00 0.00 O ATOM 382 CB ILE A 23 -33.182 10.561 49.650 1.00 0.00 C ATOM 383 CG1 ILE A 23 -32.349 10.954 48.385 1.00 0.00 C ATOM 384 CG2 ILE A 23 -32.608 11.289 50.891 1.00 0.00 C ATOM 385 CD1 ILE A 23 -30.909 10.410 48.311 1.00 0.00 C ATOM 0 H ILE A 23 -34.160 9.023 47.926 1.00 0.00 H new ATOM 0 HA ILE A 23 -32.485 8.597 50.279 1.00 0.00 H new ATOM 0 HB ILE A 23 -34.196 10.903 49.440 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -32.888 10.611 47.502 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -32.306 12.042 48.330 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -32.465 12.345 50.660 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -33.304 11.191 51.724 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -31.651 10.844 51.163 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -30.438 10.752 47.389 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -30.339 10.773 49.166 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -30.931 9.320 48.325 1.00 0.00 H new ATOM 397 N THR A 24 -35.748 8.936 50.772 1.00 0.00 N ATOM 398 CA THR A 24 -36.892 8.457 51.603 1.00 0.00 C ATOM 399 C THR A 24 -37.040 6.893 51.768 1.00 0.00 C ATOM 400 O THR A 24 -37.342 6.404 52.857 1.00 0.00 O ATOM 401 CB THR A 24 -38.156 9.082 50.940 1.00 0.00 C ATOM 402 OG1 THR A 24 -38.087 10.504 50.843 1.00 0.00 O ATOM 403 CG2 THR A 24 -39.489 8.770 51.613 1.00 0.00 C ATOM 0 H THR A 24 -36.046 9.462 49.950 1.00 0.00 H new ATOM 0 HA THR A 24 -36.729 8.772 52.634 1.00 0.00 H new ATOM 0 HB THR A 24 -38.139 8.603 49.961 1.00 0.00 H new ATOM 0 HG1 THR A 24 -38.222 10.775 49.911 1.00 0.00 H new ATOM 0 HG21 THR A 24 -40.296 9.257 51.065 1.00 0.00 H new ATOM 0 HG22 THR A 24 -39.652 7.692 51.616 1.00 0.00 H new ATOM 0 HG23 THR A 24 -39.473 9.138 52.639 1.00 0.00 H new ATOM 411 N ASN A 25 -36.965 6.159 50.642 1.00 0.00 N ATOM 412 CA ASN A 25 -37.620 4.832 50.434 1.00 0.00 C ATOM 413 C ASN A 25 -39.177 4.985 50.275 1.00 0.00 C ATOM 414 O ASN A 25 -39.950 4.667 51.181 1.00 0.00 O ATOM 415 CB ASN A 25 -37.107 3.698 51.375 1.00 0.00 C ATOM 416 CG ASN A 25 -37.644 2.286 51.084 1.00 0.00 C ATOM 417 OD1 ASN A 25 -37.187 1.544 50.215 1.00 0.00 O ATOM 418 ND2 ASN A 25 -38.662 1.871 51.793 1.00 0.00 N ATOM 0 H ASN A 25 -36.438 6.470 49.826 1.00 0.00 H new ATOM 0 HA ASN A 25 -37.285 4.444 49.472 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -36.019 3.670 51.318 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -37.366 3.959 52.401 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -39.061 0.948 51.620 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -39.056 2.470 52.518 1.00 0.00 H new ATOM 425 N ALA A 26 -39.623 5.460 49.096 1.00 0.00 N ATOM 426 CA ALA A 26 -41.055 5.565 48.742 1.00 0.00 C ATOM 427 C ALA A 26 -41.360 4.778 47.431 1.00 0.00 C ATOM 428 O ALA A 26 -41.191 5.293 46.320 1.00 0.00 O ATOM 429 CB ALA A 26 -41.436 7.057 48.667 1.00 0.00 C ATOM 0 H ALA A 26 -38.998 5.784 48.358 1.00 0.00 H new ATOM 0 HA ALA A 26 -41.675 5.102 49.509 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -42.490 7.151 48.407 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -41.258 7.527 49.634 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -40.829 7.550 47.907 1.00 0.00 H new ATOM 435 N SER A 27 -41.790 3.513 47.573 1.00 0.00 N ATOM 436 CA SER A 27 -42.145 2.637 46.428 1.00 0.00 C ATOM 437 C SER A 27 -43.669 2.618 46.103 1.00 0.00 C ATOM 438 O SER A 27 -44.516 2.221 46.908 1.00 0.00 O ATOM 439 CB SER A 27 -41.622 1.209 46.679 1.00 0.00 C ATOM 440 OG SER A 27 -42.129 0.639 47.890 1.00 0.00 O ATOM 0 H SER A 27 -41.903 3.063 48.481 1.00 0.00 H new ATOM 0 HA SER A 27 -41.660 3.060 45.548 1.00 0.00 H new ATOM 0 HB2 SER A 27 -41.899 0.572 45.839 1.00 0.00 H new ATOM 0 HB3 SER A 27 -40.533 1.227 46.719 1.00 0.00 H new ATOM 0 HG SER A 27 -43.086 0.834 47.968 1.00 0.00 H new ATOM 446 N GLN A 28 -43.968 3.003 44.869 1.00 0.00 N ATOM 447 CA GLN A 28 -45.312 2.850 44.231 1.00 0.00 C ATOM 448 C GLN A 28 -45.099 2.353 42.758 1.00 0.00 C ATOM 449 O GLN A 28 -44.009 2.402 42.198 1.00 0.00 O ATOM 450 CB GLN A 28 -46.106 4.199 44.377 1.00 0.00 C ATOM 451 CG GLN A 28 -45.475 5.391 43.647 1.00 0.00 C ATOM 452 CD GLN A 28 -46.067 6.723 44.087 1.00 0.00 C ATOM 453 OE1 GLN A 28 -45.970 7.170 45.226 1.00 0.00 O ATOM 454 NE2 GLN A 28 -46.765 7.359 43.199 1.00 0.00 N ATOM 0 H GLN A 28 -43.283 3.442 44.253 1.00 0.00 H new ATOM 0 HA GLN A 28 -45.930 2.098 44.721 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -47.118 4.053 44.000 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -46.192 4.442 45.436 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -44.400 5.397 43.829 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -45.616 5.271 42.573 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -46.846 6.988 42.252 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -47.233 8.231 43.447 1.00 0.00 H new ATOM 463 N TRP A 29 -46.163 1.943 42.083 1.00 0.00 N ATOM 464 CA TRP A 29 -46.118 1.583 40.625 1.00 0.00 C ATOM 465 C TRP A 29 -46.258 2.812 39.628 1.00 0.00 C ATOM 466 O TRP A 29 -46.369 2.641 38.414 1.00 0.00 O ATOM 467 CB TRP A 29 -47.160 0.411 40.547 1.00 0.00 C ATOM 468 CG TRP A 29 -47.833 0.114 39.207 1.00 0.00 C ATOM 469 CD1 TRP A 29 -48.953 0.824 38.741 1.00 0.00 C ATOM 470 CD2 TRP A 29 -47.462 -0.724 38.174 1.00 0.00 C ATOM 471 NE1 TRP A 29 -49.304 0.447 37.429 1.00 0.00 N ATOM 472 CE2 TRP A 29 -48.347 -0.491 37.090 1.00 0.00 C ATOM 473 CE3 TRP A 29 -46.364 -1.606 38.027 1.00 0.00 C ATOM 474 CZ2 TRP A 29 -48.115 -1.108 35.841 1.00 0.00 C ATOM 475 CZ3 TRP A 29 -46.155 -2.204 36.783 1.00 0.00 C ATOM 476 CH2 TRP A 29 -47.017 -1.960 35.706 1.00 0.00 C ATOM 0 H TRP A 29 -47.087 1.842 42.503 1.00 0.00 H new ATOM 0 HA TRP A 29 -45.146 1.251 40.260 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -46.658 -0.500 40.874 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -47.946 0.619 41.273 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -49.481 1.568 39.318 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -50.081 0.787 36.863 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -45.704 -1.811 38.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -48.775 -0.924 35.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -45.313 -2.867 36.648 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -46.829 -2.438 34.756 1.00 0.00 H new ATOM 487 N GLU A 30 -46.259 4.056 40.133 1.00 0.00 N ATOM 488 CA GLU A 30 -47.104 5.146 39.595 1.00 0.00 C ATOM 489 C GLU A 30 -46.532 6.546 39.911 1.00 0.00 C ATOM 490 O GLU A 30 -45.596 6.753 40.683 1.00 0.00 O ATOM 491 CB GLU A 30 -48.559 4.865 40.122 1.00 0.00 C ATOM 492 CG GLU A 30 -49.705 5.874 39.853 1.00 0.00 C ATOM 493 CD GLU A 30 -49.959 6.242 38.409 1.00 0.00 C ATOM 494 OE1 GLU A 30 -50.365 5.396 37.595 1.00 0.00 O ATOM 495 OE2 GLU A 30 -49.731 7.420 38.070 1.00 0.00 O ATOM 0 H GLU A 30 -45.678 4.339 40.922 1.00 0.00 H new ATOM 0 HA GLU A 30 -47.123 5.157 38.505 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -48.871 3.907 39.707 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -48.490 4.738 41.202 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -50.626 5.462 40.266 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -49.490 6.789 40.405 1.00 0.00 H new ATOM 502 N ARG A 31 -47.055 7.530 39.204 1.00 0.00 N ATOM 503 CA ARG A 31 -46.292 8.710 38.783 1.00 0.00 C ATOM 504 C ARG A 31 -46.517 9.948 39.699 1.00 0.00 C ATOM 505 O ARG A 31 -47.635 10.124 40.200 1.00 0.00 O ATOM 506 CB ARG A 31 -46.709 8.940 37.308 1.00 0.00 C ATOM 507 CG ARG A 31 -46.377 7.842 36.242 1.00 0.00 C ATOM 508 CD ARG A 31 -47.607 7.284 35.488 1.00 0.00 C ATOM 509 NE ARG A 31 -48.216 8.298 34.587 1.00 0.00 N ATOM 510 CZ ARG A 31 -49.316 9.013 34.817 1.00 0.00 C ATOM 511 NH1 ARG A 31 -50.111 8.860 35.828 1.00 0.00 N ATOM 512 NH2 ARG A 31 -49.621 9.945 33.976 1.00 0.00 N ATOM 0 H ARG A 31 -48.028 7.541 38.899 1.00 0.00 H new ATOM 0 HA ARG A 31 -45.217 8.550 38.871 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -47.787 9.098 37.292 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -46.246 9.870 36.977 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -45.680 8.259 35.515 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -45.865 7.017 36.737 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -47.310 6.413 34.905 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -48.351 6.946 36.209 1.00 0.00 H new ATOM 0 HE ARG A 31 -47.741 8.463 33.699 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -49.914 8.145 36.528 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -50.934 9.455 35.924 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -49.026 10.115 33.165 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -50.457 10.511 34.123 1.00 0.00 H new ATOM 526 N PRO A 32 -45.552 10.900 39.899 1.00 0.00 N ATOM 527 CA PRO A 32 -45.948 12.261 40.353 1.00 0.00 C ATOM 528 C PRO A 32 -46.803 13.128 39.336 1.00 0.00 C ATOM 529 O PRO A 32 -47.524 14.036 39.751 1.00 0.00 O ATOM 530 CB PRO A 32 -44.564 12.878 40.619 1.00 0.00 C ATOM 531 CG PRO A 32 -43.592 12.218 39.633 1.00 0.00 C ATOM 532 CD PRO A 32 -44.139 10.808 39.441 1.00 0.00 C ATOM 0 HA PRO A 32 -46.634 12.225 41.199 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -44.587 13.958 40.475 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -44.252 12.700 41.648 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -43.555 12.761 38.689 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -42.577 12.199 40.029 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -44.078 10.495 38.399 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -43.577 10.080 40.026 1.00 0.00 H new ATOM 540 N SER A 33 -46.667 12.865 38.018 1.00 0.00 N ATOM 541 CA SER A 33 -47.302 13.617 36.898 1.00 0.00 C ATOM 542 C SER A 33 -46.777 15.077 36.699 1.00 0.00 C ATOM 543 O SER A 33 -46.001 15.317 35.770 1.00 0.00 O ATOM 544 CB SER A 33 -48.836 13.396 36.809 1.00 0.00 C ATOM 545 OG SER A 33 -49.117 12.043 36.435 1.00 0.00 O ATOM 0 H SER A 33 -46.090 12.093 37.685 1.00 0.00 H new ATOM 0 HA SER A 33 -46.936 13.154 35.982 1.00 0.00 H new ATOM 0 HB2 SER A 33 -49.300 13.620 37.770 1.00 0.00 H new ATOM 0 HB3 SER A 33 -49.268 14.081 36.079 1.00 0.00 H new ATOM 0 HG SER A 33 -50.081 11.878 36.502 1.00 0.00 H new ATOM 551 N GLY A 34 -47.152 16.037 37.562 1.00 0.00 N ATOM 552 CA GLY A 34 -46.615 17.433 37.513 1.00 0.00 C ATOM 553 C GLY A 34 -47.116 18.312 36.345 1.00 0.00 C ATOM 554 O GLY A 34 -48.111 19.027 36.477 1.00 0.00 O ATOM 0 H GLY A 34 -47.828 15.883 38.310 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -46.866 17.931 38.450 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -45.527 17.381 37.462 1.00 0.00 H new ATOM 558 N ASN A 35 -46.449 18.207 35.186 1.00 0.00 N ATOM 559 CA ASN A 35 -47.020 18.662 33.892 1.00 0.00 C ATOM 560 C ASN A 35 -47.955 17.542 33.316 1.00 0.00 C ATOM 561 O ASN A 35 -47.520 16.655 32.577 1.00 0.00 O ATOM 562 CB ASN A 35 -45.872 19.052 32.921 1.00 0.00 C ATOM 563 CG ASN A 35 -45.132 20.344 33.268 1.00 0.00 C ATOM 564 OD1 ASN A 35 -45.633 21.446 33.091 1.00 0.00 O ATOM 565 ND2 ASN A 35 -43.925 20.267 33.763 1.00 0.00 N ATOM 0 H ASN A 35 -45.512 17.812 35.110 1.00 0.00 H new ATOM 0 HA ASN A 35 -47.631 19.554 34.033 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -45.150 18.236 32.892 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -46.285 19.148 31.917 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -43.414 21.118 33.996 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -43.494 19.355 33.916 1.00 0.00 H new ATOM 572 N SER A 36 -49.227 17.550 33.746 1.00 0.00 N ATOM 573 CA SER A 36 -50.094 16.340 33.688 1.00 0.00 C ATOM 574 C SER A 36 -50.746 16.039 32.298 1.00 0.00 C ATOM 575 O SER A 36 -51.073 16.940 31.518 1.00 0.00 O ATOM 576 CB SER A 36 -51.136 16.513 34.818 1.00 0.00 C ATOM 577 OG SER A 36 -51.757 15.264 35.111 1.00 0.00 O ATOM 0 H SER A 36 -49.686 18.373 34.138 1.00 0.00 H new ATOM 0 HA SER A 36 -49.478 15.453 33.832 1.00 0.00 H new ATOM 0 HB2 SER A 36 -50.652 16.905 35.712 1.00 0.00 H new ATOM 0 HB3 SER A 36 -51.890 17.241 34.519 1.00 0.00 H new ATOM 0 HG SER A 36 -52.721 15.332 34.948 1.00 0.00 H new ATOM 583 N SER A 37 -50.935 14.741 32.001 1.00 0.00 N ATOM 584 CA SER A 37 -51.529 14.273 30.717 1.00 0.00 C ATOM 585 C SER A 37 -53.086 14.449 30.648 1.00 0.00 C ATOM 586 O SER A 37 -53.615 15.342 29.983 1.00 0.00 O ATOM 587 CB SER A 37 -50.983 12.839 30.463 1.00 0.00 C ATOM 588 OG SER A 37 -51.481 11.849 31.379 1.00 0.00 O ATOM 0 H SER A 37 -50.684 13.983 32.635 1.00 0.00 H new ATOM 0 HA SER A 37 -51.220 14.904 29.884 1.00 0.00 H new ATOM 0 HB2 SER A 37 -51.239 12.539 29.447 1.00 0.00 H new ATOM 0 HB3 SER A 37 -49.895 12.860 30.524 1.00 0.00 H new ATOM 0 HG SER A 37 -51.171 12.056 32.285 1.00 0.00 H new ATOM 594 N SER A 38 -53.825 13.638 31.404 1.00 0.00 N ATOM 595 CA SER A 38 -54.942 14.148 32.246 1.00 0.00 C ATOM 596 C SER A 38 -54.542 14.011 33.754 1.00 0.00 C ATOM 597 O SER A 38 -54.377 15.026 34.437 1.00 0.00 O ATOM 598 CB SER A 38 -56.248 13.435 31.830 1.00 0.00 C ATOM 599 OG SER A 38 -56.611 13.809 30.500 1.00 0.00 O ATOM 0 H SER A 38 -53.683 12.629 31.461 1.00 0.00 H new ATOM 0 HA SER A 38 -55.133 15.210 32.093 1.00 0.00 H new ATOM 0 HB2 SER A 38 -56.116 12.355 31.889 1.00 0.00 H new ATOM 0 HB3 SER A 38 -57.050 13.696 32.521 1.00 0.00 H new ATOM 0 HG SER A 38 -57.439 13.350 30.246 1.00 0.00 H new ATOM 605 N GLY A 39 -54.296 12.778 34.238 1.00 0.00 N ATOM 606 CA GLY A 39 -53.425 12.527 35.406 1.00 0.00 C ATOM 607 C GLY A 39 -52.058 11.908 35.052 1.00 0.00 C ATOM 608 O GLY A 39 -51.508 11.192 35.912 1.00 0.00 O ATOM 609 OXT GLY A 39 -51.498 12.110 33.948 1.00 0.00 O ATOM 0 H GLY A 39 -54.693 11.930 33.833 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -53.260 13.468 35.931 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -53.944 11.863 36.097 1.00 0.00 H new TER 613 GLY A 39