USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=16 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 1 LYS N :NH3+ -143:sc= 0.895 (180deg=-0.606) USER MOD Set 1.2: A 28 GLN : amide:sc= -1.01 K(o=-0.11,f=-3.4!) USER MOD Single : A 1 LYS NZ :NH3+ -177:sc= 1.79 (180deg=1.77) USER MOD Single : A 8 LYS NZ :NH3+ -139:sc= 0.871 (180deg=-0.461) USER MOD Single : A 10 MET CE :methyl 179:sc= 0 (180deg=-0.00094) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -29:sc= 0.705 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.262 K(o=0.26,f=-1.5) USER MOD Single : A 22 HIS : no HE2:sc= 0.514 K(o=0.51,f=-1.9!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 41:sc= 0.00165 USER MOD Single : A 33 SER OG : rot 91:sc= 1.07 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -76:sc= 1.07 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -46.119 11.317 43.947 1.00 0.00 N ATOM 2 CA LYS A 1 -45.183 12.143 43.141 1.00 0.00 C ATOM 3 C LYS A 1 -43.689 11.981 43.596 1.00 0.00 C ATOM 4 O LYS A 1 -43.406 12.102 44.788 1.00 0.00 O ATOM 5 CB LYS A 1 -45.641 13.635 43.157 1.00 0.00 C ATOM 6 CG LYS A 1 -47.012 14.007 42.522 1.00 0.00 C ATOM 7 CD LYS A 1 -47.085 13.710 41.010 1.00 0.00 C ATOM 8 CE LYS A 1 -48.447 14.040 40.369 1.00 0.00 C ATOM 9 NZ LYS A 1 -48.508 13.284 39.073 1.00 0.00 N ATOM 0 H1 LYS A 1 -46.872 10.946 43.333 1.00 0.00 H new ATOM 0 H2 LYS A 1 -45.601 10.524 44.376 1.00 0.00 H new ATOM 0 H3 LYS A 1 -46.540 11.902 44.697 1.00 0.00 H new ATOM 0 HA LYS A 1 -45.217 11.781 42.113 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -45.659 13.963 44.196 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -44.874 14.221 42.651 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -47.802 13.456 43.032 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -47.205 15.067 42.687 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -46.308 14.280 40.501 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -46.865 12.655 40.847 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -49.265 13.747 41.027 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -48.544 15.112 40.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -49.392 13.516 38.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -47.697 13.549 38.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -48.477 12.262 39.265 1.00 0.00 H new ATOM 25 N LEU A 2 -42.745 11.721 42.667 1.00 0.00 N ATOM 26 CA LEU A 2 -41.337 11.358 43.033 1.00 0.00 C ATOM 27 C LEU A 2 -40.363 12.551 43.431 1.00 0.00 C ATOM 28 O LEU A 2 -40.004 12.626 44.605 1.00 0.00 O ATOM 29 CB LEU A 2 -40.681 10.463 41.935 1.00 0.00 C ATOM 30 CG LEU A 2 -41.432 9.357 41.167 1.00 0.00 C ATOM 31 CD1 LEU A 2 -40.451 8.783 40.127 1.00 0.00 C ATOM 32 CD2 LEU A 2 -41.966 8.255 42.078 1.00 0.00 C ATOM 0 H LEU A 2 -42.919 11.752 41.662 1.00 0.00 H new ATOM 0 HA LEU A 2 -41.461 10.800 43.961 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -40.287 11.144 41.181 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -39.825 9.980 42.406 1.00 0.00 H new ATOM 0 HG LEU A 2 -42.313 9.786 40.689 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -40.944 7.994 39.559 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -40.135 9.576 39.449 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -39.579 8.373 40.637 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -42.484 7.507 41.479 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -41.136 7.786 42.606 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -42.659 8.685 42.801 1.00 0.00 H new ATOM 44 N PRO A 3 -39.787 13.412 42.531 1.00 0.00 N ATOM 45 CA PRO A 3 -38.459 13.021 41.922 1.00 0.00 C ATOM 46 C PRO A 3 -37.009 13.370 42.428 1.00 0.00 C ATOM 47 O PRO A 3 -36.115 12.698 41.893 1.00 0.00 O ATOM 48 CB PRO A 3 -38.625 13.367 40.437 1.00 0.00 C ATOM 49 CG PRO A 3 -39.612 14.505 40.425 1.00 0.00 C ATOM 50 CD PRO A 3 -40.610 13.989 41.443 1.00 0.00 C ATOM 0 HA PRO A 3 -38.364 11.995 42.277 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -37.676 13.660 39.989 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -38.996 12.514 39.869 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -39.162 15.452 40.724 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -40.059 14.660 39.443 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -41.246 14.793 41.814 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -41.267 13.238 41.005 1.00 0.00 H new ATOM 58 N PRO A 4 -36.640 14.307 43.349 1.00 0.00 N ATOM 59 CA PRO A 4 -35.213 14.534 43.737 1.00 0.00 C ATOM 60 C PRO A 4 -34.467 13.292 44.341 1.00 0.00 C ATOM 61 O PRO A 4 -34.520 13.014 45.540 1.00 0.00 O ATOM 62 CB PRO A 4 -35.327 15.718 44.710 1.00 0.00 C ATOM 63 CG PRO A 4 -36.749 15.630 45.278 1.00 0.00 C ATOM 64 CD PRO A 4 -37.596 15.121 44.110 1.00 0.00 C ATOM 0 HA PRO A 4 -34.582 14.731 42.871 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -34.581 15.651 45.502 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -35.165 16.667 44.198 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -36.796 14.950 46.128 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -37.098 16.602 45.628 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -38.446 14.532 44.453 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -37.996 15.940 43.513 1.00 0.00 H new ATOM 72 N GLY A 5 -33.791 12.539 43.470 1.00 0.00 N ATOM 73 CA GLY A 5 -33.270 11.192 43.813 1.00 0.00 C ATOM 74 C GLY A 5 -34.132 9.962 43.429 1.00 0.00 C ATOM 75 O GLY A 5 -34.215 9.059 44.265 1.00 0.00 O ATOM 0 H GLY A 5 -33.585 12.832 42.515 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -32.296 11.079 43.338 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -33.105 11.162 44.890 1.00 0.00 H new ATOM 79 N TRP A 6 -34.757 9.864 42.232 1.00 0.00 N ATOM 80 CA TRP A 6 -35.606 8.715 41.861 1.00 0.00 C ATOM 81 C TRP A 6 -34.896 7.654 40.993 1.00 0.00 C ATOM 82 O TRP A 6 -33.843 7.926 40.403 1.00 0.00 O ATOM 83 CB TRP A 6 -36.894 9.298 41.236 1.00 0.00 C ATOM 84 CG TRP A 6 -36.885 9.724 39.749 1.00 0.00 C ATOM 85 CD1 TRP A 6 -36.641 11.014 39.244 1.00 0.00 C ATOM 86 CD2 TRP A 6 -37.421 9.024 38.688 1.00 0.00 C ATOM 87 NE1 TRP A 6 -37.171 11.195 37.957 1.00 0.00 N ATOM 88 CE2 TRP A 6 -37.658 9.950 37.634 1.00 0.00 C ATOM 89 CE3 TRP A 6 -37.928 7.701 38.613 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -38.495 9.596 36.559 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -38.635 7.340 37.468 1.00 0.00 C ATOM 92 CH2 TRP A 6 -38.933 8.274 36.464 1.00 0.00 C ATOM 0 H TRP A 6 -34.686 10.575 41.504 1.00 0.00 H new ATOM 0 HA TRP A 6 -35.856 8.134 42.748 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -37.684 8.557 41.360 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -37.179 10.169 41.825 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -36.106 11.780 39.786 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -37.190 12.046 37.396 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -37.771 6.997 39.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -38.791 10.330 35.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -38.961 6.317 37.350 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -39.510 7.965 35.605 1.00 0.00 H new ATOM 103 N GLU A 7 -35.515 6.465 40.829 1.00 0.00 N ATOM 104 CA GLU A 7 -35.118 5.569 39.729 1.00 0.00 C ATOM 105 C GLU A 7 -36.325 4.644 39.373 1.00 0.00 C ATOM 106 O GLU A 7 -37.019 4.081 40.230 1.00 0.00 O ATOM 107 CB GLU A 7 -33.811 4.784 40.071 1.00 0.00 C ATOM 108 CG GLU A 7 -33.014 4.156 38.891 1.00 0.00 C ATOM 109 CD GLU A 7 -33.205 2.684 38.585 1.00 0.00 C ATOM 110 OE1 GLU A 7 -33.279 1.863 39.526 1.00 0.00 O ATOM 111 OE2 GLU A 7 -33.218 2.331 37.388 1.00 0.00 O ATOM 0 H GLU A 7 -36.266 6.114 41.423 1.00 0.00 H new ATOM 0 HA GLU A 7 -34.871 6.153 38.843 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -33.143 5.461 40.604 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -34.072 3.983 40.763 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -33.263 4.716 37.989 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -31.954 4.318 39.085 1.00 0.00 H new ATOM 118 N LYS A 8 -36.587 4.503 38.071 1.00 0.00 N ATOM 119 CA LYS A 8 -37.442 3.424 37.509 1.00 0.00 C ATOM 120 C LYS A 8 -36.984 1.975 37.902 1.00 0.00 C ATOM 121 O LYS A 8 -35.905 1.524 37.525 1.00 0.00 O ATOM 122 CB LYS A 8 -37.443 3.761 35.985 1.00 0.00 C ATOM 123 CG LYS A 8 -38.022 2.724 34.993 1.00 0.00 C ATOM 124 CD LYS A 8 -37.071 1.576 34.581 1.00 0.00 C ATOM 125 CE LYS A 8 -35.712 2.019 33.971 1.00 0.00 C ATOM 126 NZ LYS A 8 -34.649 1.936 35.034 1.00 0.00 N ATOM 0 H LYS A 8 -36.214 5.134 37.361 1.00 0.00 H new ATOM 0 HA LYS A 8 -38.453 3.403 37.915 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -37.998 4.690 35.853 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -36.413 3.960 35.690 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -38.917 2.287 35.436 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -38.337 3.249 34.092 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -36.872 0.960 35.458 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -37.585 0.944 33.857 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -35.452 1.380 33.127 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -35.784 3.037 33.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -34.021 2.762 34.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -35.097 1.922 35.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -34.093 1.067 34.902 1.00 0.00 H new ATOM 140 N ARG A 9 -37.788 1.230 38.666 1.00 0.00 N ATOM 141 CA ARG A 9 -37.286 0.217 39.607 1.00 0.00 C ATOM 142 C ARG A 9 -38.113 -1.079 39.476 1.00 0.00 C ATOM 143 O ARG A 9 -39.330 -1.122 39.621 1.00 0.00 O ATOM 144 CB ARG A 9 -37.358 0.790 41.051 1.00 0.00 C ATOM 145 CG ARG A 9 -35.971 1.082 41.630 1.00 0.00 C ATOM 146 CD ARG A 9 -35.187 -0.178 42.015 1.00 0.00 C ATOM 147 NE ARG A 9 -33.813 0.277 42.366 1.00 0.00 N ATOM 148 CZ ARG A 9 -32.756 -0.391 41.968 1.00 0.00 C ATOM 149 NH1 ARG A 9 -32.547 -1.610 42.356 1.00 0.00 N ATOM 150 NH2 ARG A 9 -31.912 0.188 41.176 1.00 0.00 N ATOM 0 H ARG A 9 -38.805 1.310 38.652 1.00 0.00 H new ATOM 0 HA ARG A 9 -36.249 -0.027 39.378 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -37.948 1.707 41.047 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -37.876 0.080 41.696 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -35.394 1.649 40.900 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -36.080 1.715 42.511 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -35.656 -0.686 42.858 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -35.162 -0.888 41.189 1.00 0.00 H new ATOM 0 HE ARG A 9 -33.692 1.122 42.925 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -33.210 -2.067 42.982 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -31.719 -2.112 42.035 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -32.074 1.148 40.872 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -31.085 -0.316 40.856 1.00 0.00 H new ATOM 164 N MET A 10 -37.396 -2.146 39.203 1.00 0.00 N ATOM 165 CA MET A 10 -37.979 -3.492 38.989 1.00 0.00 C ATOM 166 C MET A 10 -38.394 -4.193 40.322 1.00 0.00 C ATOM 167 O MET A 10 -37.549 -4.357 41.214 1.00 0.00 O ATOM 168 CB MET A 10 -36.922 -4.317 38.196 1.00 0.00 C ATOM 169 CG MET A 10 -37.552 -5.170 37.090 1.00 0.00 C ATOM 170 SD MET A 10 -38.681 -6.407 37.767 1.00 0.00 S ATOM 171 CE MET A 10 -40.223 -5.846 37.036 1.00 0.00 C ATOM 0 H MET A 10 -36.380 -2.125 39.118 1.00 0.00 H new ATOM 0 HA MET A 10 -38.909 -3.411 38.426 1.00 0.00 H new ATOM 0 HB2 MET A 10 -36.192 -3.638 37.755 1.00 0.00 H new ATOM 0 HB3 MET A 10 -36.380 -4.964 38.885 1.00 0.00 H new ATOM 0 HG2 MET A 10 -38.091 -4.526 36.395 1.00 0.00 H new ATOM 0 HG3 MET A 10 -36.766 -5.666 36.520 1.00 0.00 H new ATOM 0 HE1 MET A 10 -41.032 -6.512 37.337 1.00 0.00 H new ATOM 0 HE2 MET A 10 -40.441 -4.834 37.378 1.00 0.00 H new ATOM 0 HE3 MET A 10 -40.134 -5.851 35.950 1.00 0.00 H new ATOM 181 N SER A 11 -39.657 -4.655 40.460 1.00 0.00 N ATOM 182 CA SER A 11 -40.017 -5.549 41.611 1.00 0.00 C ATOM 183 C SER A 11 -39.336 -6.956 41.516 1.00 0.00 C ATOM 184 O SER A 11 -39.733 -7.824 40.732 1.00 0.00 O ATOM 185 CB SER A 11 -41.539 -5.673 41.825 1.00 0.00 C ATOM 186 OG SER A 11 -41.827 -6.405 43.020 1.00 0.00 O ATOM 0 H SER A 11 -40.425 -4.442 39.823 1.00 0.00 H new ATOM 0 HA SER A 11 -39.615 -5.056 42.496 1.00 0.00 H new ATOM 0 HB2 SER A 11 -41.984 -4.680 41.886 1.00 0.00 H new ATOM 0 HB3 SER A 11 -41.991 -6.173 40.969 1.00 0.00 H new ATOM 0 HG SER A 11 -42.798 -6.470 43.138 1.00 0.00 H new ATOM 192 N ARG A 12 -38.307 -7.170 42.350 1.00 0.00 N ATOM 193 CA ARG A 12 -37.521 -8.446 42.373 1.00 0.00 C ATOM 194 C ARG A 12 -38.235 -9.784 42.805 1.00 0.00 C ATOM 195 O ARG A 12 -37.644 -10.854 42.657 1.00 0.00 O ATOM 196 CB ARG A 12 -36.203 -8.172 43.152 1.00 0.00 C ATOM 197 CG ARG A 12 -36.334 -7.932 44.680 1.00 0.00 C ATOM 198 CD ARG A 12 -34.979 -7.625 45.337 1.00 0.00 C ATOM 199 NE ARG A 12 -35.199 -7.383 46.791 1.00 0.00 N ATOM 200 CZ ARG A 12 -34.249 -7.117 47.680 1.00 0.00 C ATOM 201 NH1 ARG A 12 -32.985 -7.015 47.379 1.00 0.00 N ATOM 202 NH2 ARG A 12 -34.598 -6.948 48.916 1.00 0.00 N ATOM 0 H ARG A 12 -37.986 -6.479 43.028 1.00 0.00 H new ATOM 0 HA ARG A 12 -37.342 -8.693 41.326 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -35.534 -9.018 42.997 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -35.722 -7.299 42.710 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -37.019 -7.103 44.859 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -36.772 -8.813 45.148 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -34.291 -8.458 45.192 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -34.523 -6.751 44.873 1.00 0.00 H new ATOM 0 HE ARG A 12 -36.159 -7.425 47.132 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -32.679 -7.142 46.414 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -32.302 -6.808 48.108 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -35.580 -7.020 49.183 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -33.891 -6.742 49.622 1.00 0.00 H new ATOM 216 N SER A 13 -39.490 -9.741 43.282 1.00 0.00 N ATOM 217 CA SER A 13 -40.387 -10.936 43.308 1.00 0.00 C ATOM 218 C SER A 13 -41.098 -11.353 41.960 1.00 0.00 C ATOM 219 O SER A 13 -41.868 -12.316 41.984 1.00 0.00 O ATOM 220 CB SER A 13 -41.417 -10.639 44.425 1.00 0.00 C ATOM 221 OG SER A 13 -42.272 -11.762 44.648 1.00 0.00 O ATOM 0 H SER A 13 -39.918 -8.895 43.658 1.00 0.00 H new ATOM 0 HA SER A 13 -39.766 -11.813 43.488 1.00 0.00 H new ATOM 0 HB2 SER A 13 -40.895 -10.387 45.348 1.00 0.00 H new ATOM 0 HB3 SER A 13 -42.016 -9.771 44.150 1.00 0.00 H new ATOM 0 HG SER A 13 -42.365 -12.273 43.817 1.00 0.00 H new ATOM 227 N SER A 14 -40.857 -10.672 40.816 1.00 0.00 N ATOM 228 CA SER A 14 -41.480 -10.965 39.490 1.00 0.00 C ATOM 229 C SER A 14 -42.959 -10.463 39.381 1.00 0.00 C ATOM 230 O SER A 14 -43.901 -11.141 39.801 1.00 0.00 O ATOM 231 CB SER A 14 -41.269 -12.422 39.004 1.00 0.00 C ATOM 232 OG SER A 14 -41.543 -12.530 37.605 1.00 0.00 O ATOM 0 H SER A 14 -40.210 -9.884 40.781 1.00 0.00 H new ATOM 0 HA SER A 14 -40.923 -10.363 38.772 1.00 0.00 H new ATOM 0 HB2 SER A 14 -40.244 -12.733 39.204 1.00 0.00 H new ATOM 0 HB3 SER A 14 -41.921 -13.095 39.561 1.00 0.00 H new ATOM 0 HG SER A 14 -41.403 -13.456 37.315 1.00 0.00 H new ATOM 238 N GLY A 15 -43.165 -9.255 38.827 1.00 0.00 N ATOM 239 CA GLY A 15 -44.533 -8.697 38.672 1.00 0.00 C ATOM 240 C GLY A 15 -44.624 -7.323 37.988 1.00 0.00 C ATOM 241 O GLY A 15 -45.018 -7.241 36.824 1.00 0.00 O ATOM 0 H GLY A 15 -42.420 -8.650 38.482 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -45.131 -9.406 38.100 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -44.987 -8.620 39.660 1.00 0.00 H new ATOM 245 N ARG A 16 -44.343 -6.245 38.734 1.00 0.00 N ATOM 246 CA ARG A 16 -44.456 -4.845 38.242 1.00 0.00 C ATOM 247 C ARG A 16 -43.129 -4.078 38.487 1.00 0.00 C ATOM 248 O ARG A 16 -42.532 -4.116 39.560 1.00 0.00 O ATOM 249 CB ARG A 16 -45.639 -4.104 38.960 1.00 0.00 C ATOM 250 CG ARG A 16 -46.998 -4.028 38.226 1.00 0.00 C ATOM 251 CD ARG A 16 -47.610 -5.390 37.884 1.00 0.00 C ATOM 252 NE ARG A 16 -48.962 -5.206 37.291 1.00 0.00 N ATOM 253 CZ ARG A 16 -49.607 -6.103 36.553 1.00 0.00 C ATOM 254 NH1 ARG A 16 -49.112 -7.265 36.229 1.00 0.00 N ATOM 255 NH2 ARG A 16 -50.794 -5.805 36.128 1.00 0.00 N ATOM 0 H ARG A 16 -44.028 -6.309 39.702 1.00 0.00 H new ATOM 0 HA ARG A 16 -44.657 -4.874 37.171 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -45.805 -4.592 39.921 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -45.316 -3.085 39.171 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -47.702 -3.473 38.846 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -46.868 -3.460 37.305 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -46.966 -5.922 37.184 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -47.678 -6.003 38.783 1.00 0.00 H new ATOM 0 HE ARG A 16 -49.433 -4.318 37.465 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -48.179 -7.528 36.546 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -49.658 -7.911 35.659 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -51.208 -4.903 36.362 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -51.315 -6.473 35.559 1.00 0.00 H new ATOM 269 N VAL A 17 -42.751 -3.243 37.525 1.00 0.00 N ATOM 270 CA VAL A 17 -41.955 -2.008 37.805 1.00 0.00 C ATOM 271 C VAL A 17 -42.728 -1.010 38.744 1.00 0.00 C ATOM 272 O VAL A 17 -43.953 -0.894 38.721 1.00 0.00 O ATOM 273 CB VAL A 17 -41.411 -1.389 36.467 1.00 0.00 C ATOM 274 CG1 VAL A 17 -42.405 -1.380 35.296 1.00 0.00 C ATOM 275 CG2 VAL A 17 -40.858 0.055 36.596 1.00 0.00 C ATOM 0 H VAL A 17 -42.973 -3.381 36.539 1.00 0.00 H new ATOM 0 HA VAL A 17 -41.069 -2.273 38.383 1.00 0.00 H new ATOM 0 HB VAL A 17 -40.598 -2.081 36.247 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -41.933 -0.933 34.421 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -42.704 -2.402 35.064 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -43.285 -0.798 35.570 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -40.506 0.398 35.623 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -41.648 0.717 36.950 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -40.031 0.066 37.306 1.00 0.00 H new ATOM 285 N TYR A 18 -41.968 -0.330 39.595 1.00 0.00 N ATOM 286 CA TYR A 18 -42.461 0.556 40.668 1.00 0.00 C ATOM 287 C TYR A 18 -41.537 1.831 40.704 1.00 0.00 C ATOM 288 O TYR A 18 -40.334 1.717 40.431 1.00 0.00 O ATOM 289 CB TYR A 18 -42.540 -0.326 41.959 1.00 0.00 C ATOM 290 CG TYR A 18 -41.234 -0.607 42.719 1.00 0.00 C ATOM 291 CD1 TYR A 18 -40.729 0.357 43.592 1.00 0.00 C ATOM 292 CD2 TYR A 18 -40.533 -1.800 42.531 1.00 0.00 C ATOM 293 CE1 TYR A 18 -39.532 0.137 44.261 1.00 0.00 C ATOM 294 CE2 TYR A 18 -39.334 -2.025 43.206 1.00 0.00 C ATOM 295 CZ TYR A 18 -38.836 -1.057 44.076 1.00 0.00 C ATOM 296 OH TYR A 18 -37.653 -1.256 44.735 1.00 0.00 O ATOM 0 H TYR A 18 -40.950 -0.376 39.563 1.00 0.00 H new ATOM 0 HA TYR A 18 -43.462 0.963 40.529 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -43.232 0.154 42.650 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -42.979 -1.285 41.683 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -41.271 1.278 43.748 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -40.921 -2.552 41.860 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -39.139 0.892 44.926 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -38.793 -2.947 43.055 1.00 0.00 H new ATOM 0 HH TYR A 18 -37.292 -2.137 44.501 1.00 0.00 H new ATOM 306 N TYR A 19 -42.035 3.056 40.983 1.00 0.00 N ATOM 307 CA TYR A 19 -41.162 4.268 40.861 1.00 0.00 C ATOM 308 C TYR A 19 -40.746 4.805 42.245 1.00 0.00 C ATOM 309 O TYR A 19 -41.551 4.956 43.161 1.00 0.00 O ATOM 310 CB TYR A 19 -41.860 5.369 40.046 1.00 0.00 C ATOM 311 CG TYR A 19 -41.791 5.416 38.515 1.00 0.00 C ATOM 312 CD1 TYR A 19 -41.059 4.529 37.747 1.00 0.00 C ATOM 313 CD2 TYR A 19 -42.305 6.541 37.897 1.00 0.00 C ATOM 314 CE1 TYR A 19 -40.913 4.705 36.377 1.00 0.00 C ATOM 315 CE2 TYR A 19 -42.127 6.752 36.535 1.00 0.00 C ATOM 316 CZ TYR A 19 -41.474 5.810 35.761 1.00 0.00 C ATOM 317 OH TYR A 19 -41.311 6.031 34.421 1.00 0.00 O ATOM 0 H TYR A 19 -42.993 3.240 41.282 1.00 0.00 H new ATOM 0 HA TYR A 19 -40.258 3.967 40.332 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -42.917 5.334 40.312 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -41.471 6.321 40.407 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -40.590 3.680 38.223 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -42.853 7.266 38.481 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -40.363 3.981 35.794 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -42.501 7.657 36.078 1.00 0.00 H new ATOM 0 HH TYR A 19 -41.777 6.855 34.166 1.00 0.00 H new ATOM 327 N PHE A 20 -39.457 5.099 42.375 1.00 0.00 N ATOM 328 CA PHE A 20 -38.792 5.087 43.697 1.00 0.00 C ATOM 329 C PHE A 20 -37.828 6.263 43.986 1.00 0.00 C ATOM 330 O PHE A 20 -36.666 6.205 43.588 1.00 0.00 O ATOM 331 CB PHE A 20 -38.153 3.685 43.927 1.00 0.00 C ATOM 332 CG PHE A 20 -37.496 3.454 45.309 1.00 0.00 C ATOM 333 CD1 PHE A 20 -38.226 3.609 46.476 1.00 0.00 C ATOM 334 CD2 PHE A 20 -36.144 3.174 45.396 1.00 0.00 C ATOM 335 CE1 PHE A 20 -37.626 3.454 47.719 1.00 0.00 C ATOM 336 CE2 PHE A 20 -35.527 3.022 46.635 1.00 0.00 C ATOM 337 CZ PHE A 20 -36.251 3.116 47.859 1.00 0.00 C ATOM 0 H PHE A 20 -38.847 5.348 41.597 1.00 0.00 H new ATOM 0 HA PHE A 20 -39.569 5.263 44.441 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -38.925 2.929 43.783 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -37.399 3.521 43.157 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -39.276 3.854 46.419 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -35.561 3.072 44.493 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -38.223 3.595 48.608 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -34.465 2.827 46.670 1.00 0.00 H new ATOM 0 HZ PHE A 20 -35.791 2.944 48.821 1.00 0.00 H new ATOM 347 N ASN A 21 -38.261 7.238 44.808 1.00 0.00 N ATOM 348 CA ASN A 21 -37.320 8.185 45.461 1.00 0.00 C ATOM 349 C ASN A 21 -36.529 7.517 46.631 1.00 0.00 C ATOM 350 O ASN A 21 -37.141 7.031 47.584 1.00 0.00 O ATOM 351 CB ASN A 21 -38.077 9.453 45.933 1.00 0.00 C ATOM 352 CG ASN A 21 -37.261 10.723 45.735 1.00 0.00 C ATOM 353 OD1 ASN A 21 -37.311 11.342 44.685 1.00 0.00 O ATOM 354 ND2 ASN A 21 -36.430 11.101 46.666 1.00 0.00 N ATOM 0 H ASN A 21 -39.242 7.395 45.037 1.00 0.00 H new ATOM 0 HA ASN A 21 -36.578 8.483 44.720 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -39.015 9.538 45.385 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -38.332 9.349 46.988 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -35.827 11.910 46.514 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -36.383 10.588 47.546 1.00 0.00 H new ATOM 361 N HIS A 22 -35.189 7.505 46.568 1.00 0.00 N ATOM 362 CA HIS A 22 -34.350 6.710 47.532 1.00 0.00 C ATOM 363 C HIS A 22 -34.260 7.333 48.971 1.00 0.00 C ATOM 364 O HIS A 22 -34.533 6.693 49.984 1.00 0.00 O ATOM 365 CB HIS A 22 -32.907 6.453 46.985 1.00 0.00 C ATOM 366 CG HIS A 22 -32.703 6.033 45.534 1.00 0.00 C ATOM 367 ND1 HIS A 22 -33.637 5.359 44.788 1.00 0.00 N ATOM 368 CD2 HIS A 22 -31.701 6.550 44.699 1.00 0.00 C ATOM 369 CE1 HIS A 22 -33.169 5.631 43.542 1.00 0.00 C ATOM 370 NE2 HIS A 22 -31.982 6.290 43.371 1.00 0.00 N ATOM 0 H HIS A 22 -34.650 8.024 45.875 1.00 0.00 H new ATOM 0 HA HIS A 22 -34.877 5.760 47.624 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -32.334 7.367 47.141 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -32.456 5.683 47.611 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -34.447 4.813 45.083 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -30.827 7.080 45.047 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -33.739 5.324 42.678 1.00 0.00 H new ATOM 378 N ILE A 23 -33.847 8.602 49.002 1.00 0.00 N ATOM 379 CA ILE A 23 -33.622 9.434 50.218 1.00 0.00 C ATOM 380 C ILE A 23 -34.903 9.928 50.976 1.00 0.00 C ATOM 381 O ILE A 23 -34.894 9.981 52.206 1.00 0.00 O ATOM 382 CB ILE A 23 -32.644 10.596 49.799 1.00 0.00 C ATOM 383 CG1 ILE A 23 -33.013 11.388 48.492 1.00 0.00 C ATOM 384 CG2 ILE A 23 -31.178 10.098 49.700 1.00 0.00 C ATOM 385 CD1 ILE A 23 -33.772 12.690 48.746 1.00 0.00 C ATOM 0 H ILE A 23 -33.646 9.116 48.144 1.00 0.00 H new ATOM 0 HA ILE A 23 -33.177 8.800 50.985 1.00 0.00 H new ATOM 0 HB ILE A 23 -32.760 11.313 50.612 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -32.097 11.614 47.946 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -33.617 10.747 47.850 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -30.531 10.926 49.409 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -30.859 9.711 50.668 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -31.112 9.306 48.954 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -33.989 13.176 47.795 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -34.706 12.472 49.263 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -33.163 13.352 49.361 1.00 0.00 H new ATOM 397 N THR A 24 -36.012 10.229 50.277 1.00 0.00 N ATOM 398 CA THR A 24 -37.379 10.210 50.890 1.00 0.00 C ATOM 399 C THR A 24 -37.876 8.782 51.339 1.00 0.00 C ATOM 400 O THR A 24 -38.484 8.632 52.399 1.00 0.00 O ATOM 401 CB THR A 24 -38.336 10.898 49.873 1.00 0.00 C ATOM 402 OG1 THR A 24 -38.037 12.283 49.746 1.00 0.00 O ATOM 403 CG2 THR A 24 -39.832 10.814 50.184 1.00 0.00 C ATOM 0 H THR A 24 -36.003 10.489 49.291 1.00 0.00 H new ATOM 0 HA THR A 24 -37.358 10.756 51.833 1.00 0.00 H new ATOM 0 HB THR A 24 -38.154 10.331 48.960 1.00 0.00 H new ATOM 0 HG1 THR A 24 -38.650 12.692 49.101 1.00 0.00 H new ATOM 0 HG21 THR A 24 -40.395 11.329 49.405 1.00 0.00 H new ATOM 0 HG22 THR A 24 -40.138 9.768 50.222 1.00 0.00 H new ATOM 0 HG23 THR A 24 -40.030 11.285 51.147 1.00 0.00 H new ATOM 411 N ASN A 25 -37.683 7.777 50.468 1.00 0.00 N ATOM 412 CA ASN A 25 -38.287 6.415 50.553 1.00 0.00 C ATOM 413 C ASN A 25 -39.808 6.407 50.155 1.00 0.00 C ATOM 414 O ASN A 25 -40.689 6.098 50.962 1.00 0.00 O ATOM 415 CB ASN A 25 -37.886 5.662 51.854 1.00 0.00 C ATOM 416 CG ASN A 25 -38.090 4.149 51.803 1.00 0.00 C ATOM 417 OD1 ASN A 25 -37.263 3.395 51.307 1.00 0.00 O ATOM 418 ND2 ASN A 25 -39.200 3.651 52.278 1.00 0.00 N ATOM 0 H ASN A 25 -37.081 7.884 49.651 1.00 0.00 H new ATOM 0 HA ASN A 25 -37.839 5.792 49.779 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -36.837 5.867 52.068 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -38.465 6.065 52.685 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -39.369 2.646 52.233 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -39.898 4.267 52.694 1.00 0.00 H new ATOM 425 N ALA A 26 -40.099 6.737 48.882 1.00 0.00 N ATOM 426 CA ALA A 26 -41.463 6.764 48.321 1.00 0.00 C ATOM 427 C ALA A 26 -41.579 5.798 47.104 1.00 0.00 C ATOM 428 O ALA A 26 -41.298 6.178 45.961 1.00 0.00 O ATOM 429 CB ALA A 26 -41.803 8.231 47.990 1.00 0.00 C ATOM 0 H ALA A 26 -39.382 6.996 48.204 1.00 0.00 H new ATOM 0 HA ALA A 26 -42.197 6.399 49.039 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -42.808 8.286 47.572 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -41.755 8.830 48.900 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -41.087 8.616 47.264 1.00 0.00 H new ATOM 435 N SER A 27 -41.979 4.541 47.359 1.00 0.00 N ATOM 436 CA SER A 27 -42.145 3.509 46.299 1.00 0.00 C ATOM 437 C SER A 27 -43.585 3.415 45.737 1.00 0.00 C ATOM 438 O SER A 27 -44.559 3.103 46.427 1.00 0.00 O ATOM 439 CB SER A 27 -41.708 2.125 46.794 1.00 0.00 C ATOM 440 OG SER A 27 -42.274 1.768 48.059 1.00 0.00 O ATOM 0 H SER A 27 -42.197 4.204 48.297 1.00 0.00 H new ATOM 0 HA SER A 27 -41.499 3.836 45.485 1.00 0.00 H new ATOM 0 HB2 SER A 27 -41.991 1.377 46.054 1.00 0.00 H new ATOM 0 HB3 SER A 27 -40.621 2.102 46.871 1.00 0.00 H new ATOM 0 HG SER A 27 -43.213 2.048 48.088 1.00 0.00 H new ATOM 446 N GLN A 28 -43.659 3.695 44.444 1.00 0.00 N ATOM 447 CA GLN A 28 -44.929 3.968 43.739 1.00 0.00 C ATOM 448 C GLN A 28 -45.202 2.974 42.581 1.00 0.00 C ATOM 449 O GLN A 28 -44.474 2.022 42.338 1.00 0.00 O ATOM 450 CB GLN A 28 -44.780 5.438 43.224 1.00 0.00 C ATOM 451 CG GLN A 28 -44.498 6.498 44.301 1.00 0.00 C ATOM 452 CD GLN A 28 -45.060 7.904 44.147 1.00 0.00 C ATOM 453 OE1 GLN A 28 -45.604 8.513 45.060 1.00 0.00 O ATOM 454 NE2 GLN A 28 -45.032 8.482 42.984 1.00 0.00 N ATOM 0 H GLN A 28 -42.839 3.742 43.839 1.00 0.00 H new ATOM 0 HA GLN A 28 -45.787 3.843 44.399 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -43.973 5.467 42.492 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -45.695 5.714 42.700 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -44.865 6.104 45.249 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -43.416 6.589 44.391 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -44.590 8.014 42.193 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -45.452 9.404 42.862 1.00 0.00 H new ATOM 463 N TRP A 29 -46.219 3.257 41.781 1.00 0.00 N ATOM 464 CA TRP A 29 -46.202 2.950 40.326 1.00 0.00 C ATOM 465 C TRP A 29 -46.076 4.260 39.426 1.00 0.00 C ATOM 466 O TRP A 29 -46.368 4.256 38.228 1.00 0.00 O ATOM 467 CB TRP A 29 -47.472 2.042 40.236 1.00 0.00 C ATOM 468 CG TRP A 29 -48.104 1.891 38.871 1.00 0.00 C ATOM 469 CD1 TRP A 29 -49.047 2.793 38.371 1.00 0.00 C ATOM 470 CD2 TRP A 29 -47.776 1.051 37.841 1.00 0.00 C ATOM 471 NE1 TRP A 29 -49.346 2.525 37.016 1.00 0.00 N ATOM 472 CE2 TRP A 29 -48.532 1.442 36.710 1.00 0.00 C ATOM 473 CE3 TRP A 29 -46.783 0.050 37.744 1.00 0.00 C ATOM 474 CZ2 TRP A 29 -48.298 0.825 35.461 1.00 0.00 C ATOM 475 CZ3 TRP A 29 -46.571 -0.549 36.500 1.00 0.00 C ATOM 476 CH2 TRP A 29 -47.321 -0.170 35.376 1.00 0.00 C ATOM 0 H TRP A 29 -47.080 3.702 42.101 1.00 0.00 H new ATOM 0 HA TRP A 29 -45.338 2.431 39.912 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -47.207 1.049 40.600 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -48.224 2.441 40.917 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -49.490 3.592 38.946 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -50.004 3.012 36.407 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -46.204 -0.244 38.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -48.864 1.117 34.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -45.818 -1.316 36.402 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -47.140 -0.656 34.429 1.00 0.00 H new ATOM 487 N GLU A 30 -45.634 5.412 39.977 1.00 0.00 N ATOM 488 CA GLU A 30 -46.231 6.727 39.636 1.00 0.00 C ATOM 489 C GLU A 30 -45.214 7.845 39.311 1.00 0.00 C ATOM 490 O GLU A 30 -44.576 8.512 40.124 1.00 0.00 O ATOM 491 CB GLU A 30 -47.337 7.078 40.680 1.00 0.00 C ATOM 492 CG GLU A 30 -48.226 8.328 40.432 1.00 0.00 C ATOM 493 CD GLU A 30 -47.745 9.726 40.796 1.00 0.00 C ATOM 494 OE1 GLU A 30 -47.271 9.964 41.922 1.00 0.00 O ATOM 495 OE2 GLU A 30 -47.966 10.640 39.967 1.00 0.00 O ATOM 0 H GLU A 30 -44.873 5.461 40.654 1.00 0.00 H new ATOM 0 HA GLU A 30 -46.725 6.640 38.668 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -47.997 6.215 40.766 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -46.851 7.205 41.647 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -48.466 8.341 39.369 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -49.161 8.164 40.968 1.00 0.00 H new ATOM 502 N ARG A 31 -45.162 8.029 37.999 1.00 0.00 N ATOM 503 CA ARG A 31 -44.505 9.095 37.284 1.00 0.00 C ATOM 504 C ARG A 31 -44.838 10.519 37.800 1.00 0.00 C ATOM 505 O ARG A 31 -46.037 10.820 37.900 1.00 0.00 O ATOM 506 CB ARG A 31 -44.977 8.834 35.822 1.00 0.00 C ATOM 507 CG ARG A 31 -45.125 7.432 35.127 1.00 0.00 C ATOM 508 CD ARG A 31 -46.496 6.707 35.217 1.00 0.00 C ATOM 509 NE ARG A 31 -47.632 7.454 34.607 1.00 0.00 N ATOM 510 CZ ARG A 31 -48.448 8.299 35.266 1.00 0.00 C ATOM 511 NH1 ARG A 31 -48.366 8.575 36.540 1.00 0.00 N ATOM 512 NH2 ARG A 31 -49.376 8.910 34.607 1.00 0.00 N ATOM 0 H ARG A 31 -45.619 7.377 37.361 1.00 0.00 H new ATOM 0 HA ARG A 31 -43.422 9.082 37.406 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -45.957 9.305 35.742 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -44.297 9.404 35.189 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -44.884 7.557 34.071 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -44.370 6.770 35.550 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -46.412 5.736 34.728 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -46.724 6.517 36.266 1.00 0.00 H new ATOM 0 HE ARG A 31 -47.805 7.314 33.612 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -47.643 8.137 37.111 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -49.025 9.228 36.964 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -49.481 8.749 33.605 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -50.004 9.554 35.088 1.00 0.00 H new ATOM 526 N PRO A 32 -43.880 11.453 38.073 1.00 0.00 N ATOM 527 CA PRO A 32 -44.260 12.852 38.391 1.00 0.00 C ATOM 528 C PRO A 32 -45.172 13.555 37.322 1.00 0.00 C ATOM 529 O PRO A 32 -46.103 14.266 37.702 1.00 0.00 O ATOM 530 CB PRO A 32 -42.911 13.532 38.652 1.00 0.00 C ATOM 531 CG PRO A 32 -41.842 12.658 37.990 1.00 0.00 C ATOM 532 CD PRO A 32 -42.433 11.259 37.840 1.00 0.00 C ATOM 0 HA PRO A 32 -44.922 12.914 39.255 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -42.899 14.540 38.236 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -42.726 13.626 39.722 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -41.561 13.063 37.018 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -40.937 12.630 38.597 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -42.240 10.849 36.849 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -42.002 10.565 38.562 1.00 0.00 H new ATOM 540 N SER A 33 -45.001 13.212 36.022 1.00 0.00 N ATOM 541 CA SER A 33 -46.060 13.300 34.958 1.00 0.00 C ATOM 542 C SER A 33 -46.321 14.716 34.345 1.00 0.00 C ATOM 543 O SER A 33 -46.652 14.828 33.163 1.00 0.00 O ATOM 544 CB SER A 33 -47.427 12.677 35.345 1.00 0.00 C ATOM 545 OG SER A 33 -47.321 11.308 35.708 1.00 0.00 O ATOM 0 H SER A 33 -44.113 12.859 35.666 1.00 0.00 H new ATOM 0 HA SER A 33 -45.590 12.692 34.185 1.00 0.00 H new ATOM 0 HB2 SER A 33 -47.855 13.237 36.176 1.00 0.00 H new ATOM 0 HB3 SER A 33 -48.117 12.774 34.507 1.00 0.00 H new ATOM 0 HG SER A 33 -47.181 11.236 36.675 1.00 0.00 H new ATOM 551 N GLY A 34 -46.284 15.765 35.175 1.00 0.00 N ATOM 552 CA GLY A 34 -47.102 16.982 34.970 1.00 0.00 C ATOM 553 C GLY A 34 -47.684 17.548 36.283 1.00 0.00 C ATOM 554 O GLY A 34 -47.085 18.445 36.875 1.00 0.00 O ATOM 0 H GLY A 34 -45.692 15.802 36.005 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -46.491 17.747 34.491 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -47.919 16.752 34.286 1.00 0.00 H new ATOM 558 N ASN A 35 -48.861 17.062 36.719 1.00 0.00 N ATOM 559 CA ASN A 35 -49.685 17.728 37.770 1.00 0.00 C ATOM 560 C ASN A 35 -50.316 16.782 38.855 1.00 0.00 C ATOM 561 O ASN A 35 -50.264 17.086 40.049 1.00 0.00 O ATOM 562 CB ASN A 35 -50.807 18.585 37.108 1.00 0.00 C ATOM 563 CG ASN A 35 -50.355 19.799 36.298 1.00 0.00 C ATOM 564 OD1 ASN A 35 -49.998 20.841 36.830 1.00 0.00 O ATOM 565 ND2 ASN A 35 -50.368 19.716 34.993 1.00 0.00 N ATOM 0 H ASN A 35 -49.275 16.201 36.361 1.00 0.00 H new ATOM 0 HA ASN A 35 -48.976 18.350 38.317 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -51.389 17.936 36.453 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -51.479 18.931 37.893 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -50.082 20.516 34.428 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -50.664 18.851 34.540 1.00 0.00 H new ATOM 572 N SER A 36 -50.971 15.683 38.457 1.00 0.00 N ATOM 573 CA SER A 36 -52.089 15.052 39.217 1.00 0.00 C ATOM 574 C SER A 36 -51.863 13.554 39.602 1.00 0.00 C ATOM 575 O SER A 36 -51.772 13.225 40.787 1.00 0.00 O ATOM 576 CB SER A 36 -53.392 15.325 38.410 1.00 0.00 C ATOM 577 OG SER A 36 -53.401 14.707 37.114 1.00 0.00 O ATOM 0 H SER A 36 -50.747 15.193 37.591 1.00 0.00 H new ATOM 0 HA SER A 36 -52.161 15.507 40.205 1.00 0.00 H new ATOM 0 HB2 SER A 36 -54.247 14.964 38.982 1.00 0.00 H new ATOM 0 HB3 SER A 36 -53.518 16.401 38.292 1.00 0.00 H new ATOM 0 HG SER A 36 -52.833 15.221 36.502 1.00 0.00 H new ATOM 583 N SER A 37 -51.761 12.675 38.600 1.00 0.00 N ATOM 584 CA SER A 37 -51.807 11.182 38.696 1.00 0.00 C ATOM 585 C SER A 37 -52.009 10.616 37.243 1.00 0.00 C ATOM 586 O SER A 37 -51.182 9.837 36.757 1.00 0.00 O ATOM 587 CB SER A 37 -52.853 10.601 39.691 1.00 0.00 C ATOM 588 OG SER A 37 -52.826 9.172 39.694 1.00 0.00 O ATOM 0 H SER A 37 -51.636 12.988 37.637 1.00 0.00 H new ATOM 0 HA SER A 37 -50.859 10.857 39.125 1.00 0.00 H new ATOM 0 HB2 SER A 37 -52.649 10.973 40.695 1.00 0.00 H new ATOM 0 HB3 SER A 37 -53.850 10.948 39.418 1.00 0.00 H new ATOM 0 HG SER A 37 -53.491 8.834 40.329 1.00 0.00 H new ATOM 594 N SER A 38 -53.086 11.042 36.542 1.00 0.00 N ATOM 595 CA SER A 38 -53.293 10.740 35.090 1.00 0.00 C ATOM 596 C SER A 38 -52.321 11.536 34.153 1.00 0.00 C ATOM 597 O SER A 38 -51.388 10.932 33.612 1.00 0.00 O ATOM 598 CB SER A 38 -54.797 10.910 34.762 1.00 0.00 C ATOM 599 OG SER A 38 -55.590 9.985 35.506 1.00 0.00 O ATOM 0 H SER A 38 -53.834 11.600 36.954 1.00 0.00 H new ATOM 0 HA SER A 38 -53.024 9.703 34.888 1.00 0.00 H new ATOM 0 HB2 SER A 38 -55.110 11.929 34.990 1.00 0.00 H new ATOM 0 HB3 SER A 38 -54.960 10.758 33.695 1.00 0.00 H new ATOM 0 HG SER A 38 -56.536 10.112 35.284 1.00 0.00 H new ATOM 605 N GLY A 39 -52.451 12.874 34.048 1.00 0.00 N ATOM 606 CA GLY A 39 -51.250 13.741 34.019 1.00 0.00 C ATOM 607 C GLY A 39 -50.895 14.261 35.424 1.00 0.00 C ATOM 608 O GLY A 39 -50.295 13.543 36.258 1.00 0.00 O ATOM 609 OXT GLY A 39 -51.264 15.410 35.731 1.00 0.00 O ATOM 0 H GLY A 39 -53.342 13.367 33.984 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -50.407 13.183 33.613 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -51.425 14.585 33.351 1.00 0.00 H new TER 613 GLY A 39