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 1 LYS N :NH3+ -155:sc= 0.591 (180deg=0) USER MOD Set 1.2: A 28 GLN : amide:sc= -0.37 K(o=0.22,f=-1.2) USER MOD Set 2.1: A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 24 THR OG1 : rot 140:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -107:sc= 1.14 (180deg=0.00354) USER MOD Single : A 10 MET CE :methyl -166:sc= -0.125 (180deg=-0.583) 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 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0.0901 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.15) USER MOD Single : A 22 HIS : no HE2:sc= 0.0354 X(o=0.035,f=-0.32) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 35:sc= 0.0743 USER MOD Single : A 33 SER OG : rot 157:sc= 1.31 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 35:sc= 1.24 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -57:sc= 0.106 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -45.893 9.655 47.002 1.00 0.00 N ATOM 2 CA LYS A 1 -44.832 10.642 46.639 1.00 0.00 C ATOM 3 C LYS A 1 -43.716 9.942 45.802 1.00 0.00 C ATOM 4 O LYS A 1 -43.281 8.860 46.208 1.00 0.00 O ATOM 5 CB LYS A 1 -44.135 11.275 47.884 1.00 0.00 C ATOM 6 CG LYS A 1 -44.940 12.136 48.895 1.00 0.00 C ATOM 7 CD LYS A 1 -44.061 13.092 49.752 1.00 0.00 C ATOM 8 CE LYS A 1 -42.909 12.431 50.547 1.00 0.00 C ATOM 9 NZ LYS A 1 -42.179 13.436 51.376 1.00 0.00 N ATOM 0 H1 LYS A 1 -46.790 10.154 47.166 1.00 0.00 H new ATOM 0 H2 LYS A 1 -46.013 8.973 46.226 1.00 0.00 H new ATOM 0 H3 LYS A 1 -45.615 9.149 47.867 1.00 0.00 H new ATOM 0 HA LYS A 1 -45.336 11.428 46.076 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -43.683 10.459 48.447 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -43.319 11.896 47.513 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -45.675 12.727 48.349 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -45.494 11.474 49.560 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -43.633 13.847 49.093 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -44.709 13.614 50.457 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -43.310 11.648 51.190 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -42.215 11.952 49.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -41.413 12.965 51.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -41.777 14.170 50.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -42.838 13.874 52.050 1.00 0.00 H new ATOM 25 N LEU A 2 -43.196 10.557 44.719 1.00 0.00 N ATOM 26 CA LEU A 2 -41.965 10.033 44.050 1.00 0.00 C ATOM 27 C LEU A 2 -40.929 11.053 43.460 1.00 0.00 C ATOM 28 O LEU A 2 -39.765 10.956 43.854 1.00 0.00 O ATOM 29 CB LEU A 2 -42.241 8.776 43.191 1.00 0.00 C ATOM 30 CG LEU A 2 -42.674 8.812 41.707 1.00 0.00 C ATOM 31 CD1 LEU A 2 -41.455 8.938 40.773 1.00 0.00 C ATOM 32 CD2 LEU A 2 -43.387 7.523 41.333 1.00 0.00 C ATOM 0 H LEU A 2 -43.589 11.395 44.291 1.00 0.00 H new ATOM 0 HA LEU A 2 -41.367 9.703 44.899 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -41.330 8.179 43.226 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -43.011 8.213 43.718 1.00 0.00 H new ATOM 0 HG LEU A 2 -43.331 9.674 41.590 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -41.792 8.961 39.737 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -40.916 9.858 41.000 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -40.793 8.084 40.921 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -43.686 7.563 40.286 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -42.716 6.678 41.487 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -44.272 7.402 41.958 1.00 0.00 H new ATOM 44 N PRO A 3 -41.238 12.008 42.542 1.00 0.00 N ATOM 45 CA PRO A 3 -40.216 12.727 41.733 1.00 0.00 C ATOM 46 C PRO A 3 -38.906 13.402 42.298 1.00 0.00 C ATOM 47 O PRO A 3 -37.863 13.144 41.678 1.00 0.00 O ATOM 48 CB PRO A 3 -41.091 13.512 40.742 1.00 0.00 C ATOM 49 CG PRO A 3 -42.499 13.509 41.341 1.00 0.00 C ATOM 50 CD PRO A 3 -42.507 12.060 41.806 1.00 0.00 C ATOM 0 HA PRO A 3 -39.528 11.991 41.318 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -40.722 14.530 40.615 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -41.083 13.045 39.757 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -42.619 14.222 42.157 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -43.276 13.729 40.609 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -43.364 11.833 42.440 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -42.532 11.357 40.973 1.00 0.00 H new ATOM 58 N PRO A 4 -38.821 14.211 43.398 1.00 0.00 N ATOM 59 CA PRO A 4 -37.527 14.789 43.865 1.00 0.00 C ATOM 60 C PRO A 4 -36.457 13.738 44.314 1.00 0.00 C ATOM 61 O PRO A 4 -36.433 13.244 45.447 1.00 0.00 O ATOM 62 CB PRO A 4 -37.958 15.720 45.001 1.00 0.00 C ATOM 63 CG PRO A 4 -39.277 15.132 45.515 1.00 0.00 C ATOM 64 CD PRO A 4 -39.959 14.546 44.273 1.00 0.00 C ATOM 0 HA PRO A 4 -37.002 15.298 43.057 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -37.207 15.754 45.790 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -38.093 16.741 44.645 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -39.100 14.364 46.268 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -39.896 15.899 45.981 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -40.554 13.666 44.517 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -40.631 15.265 43.804 1.00 0.00 H new ATOM 72 N GLY A 5 -35.589 13.399 43.362 1.00 0.00 N ATOM 73 CA GLY A 5 -34.711 12.219 43.481 1.00 0.00 C ATOM 74 C GLY A 5 -35.329 10.855 43.113 1.00 0.00 C ATOM 75 O GLY A 5 -35.278 9.974 43.973 1.00 0.00 O ATOM 0 H GLY A 5 -35.469 13.922 42.494 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -33.838 12.379 42.848 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -34.353 12.164 44.509 1.00 0.00 H new ATOM 79 N TRP A 6 -35.911 10.628 41.916 1.00 0.00 N ATOM 80 CA TRP A 6 -36.656 9.386 41.635 1.00 0.00 C ATOM 81 C TRP A 6 -35.931 8.386 40.718 1.00 0.00 C ATOM 82 O TRP A 6 -34.989 8.737 40.000 1.00 0.00 O ATOM 83 CB TRP A 6 -38.049 9.811 41.117 1.00 0.00 C ATOM 84 CG TRP A 6 -38.296 10.188 39.631 1.00 0.00 C ATOM 85 CD1 TRP A 6 -38.298 11.479 39.052 1.00 0.00 C ATOM 86 CD2 TRP A 6 -38.873 9.378 38.672 1.00 0.00 C ATOM 87 NE1 TRP A 6 -38.971 11.517 37.821 1.00 0.00 N ATOM 88 CE2 TRP A 6 -39.292 10.201 37.592 1.00 0.00 C ATOM 89 CE3 TRP A 6 -39.184 7.993 38.680 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -40.038 9.656 36.531 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -39.797 7.461 37.547 1.00 0.00 C ATOM 92 CH2 TRP A 6 -40.243 8.277 36.499 1.00 0.00 C ATOM 0 H TRP A 6 -35.879 11.284 41.136 1.00 0.00 H new ATOM 0 HA TRP A 6 -36.749 8.807 42.554 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -38.734 8.996 41.352 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -38.358 10.669 41.714 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -37.833 12.341 39.507 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -39.173 12.328 37.236 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -38.954 7.373 39.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -40.443 10.292 35.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -39.932 6.392 37.475 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -40.752 7.833 35.656 1.00 0.00 H new ATOM 103 N GLU A 7 -36.459 7.149 40.661 1.00 0.00 N ATOM 104 CA GLU A 7 -36.228 6.300 39.478 1.00 0.00 C ATOM 105 C GLU A 7 -37.344 5.191 39.375 1.00 0.00 C ATOM 106 O GLU A 7 -37.786 4.632 40.383 1.00 0.00 O ATOM 107 CB GLU A 7 -34.819 5.645 39.576 1.00 0.00 C ATOM 108 CG GLU A 7 -34.282 4.970 38.283 1.00 0.00 C ATOM 109 CD GLU A 7 -33.588 3.632 38.450 1.00 0.00 C ATOM 110 OE1 GLU A 7 -33.020 3.353 39.531 1.00 0.00 O ATOM 111 OE2 GLU A 7 -33.628 2.846 37.478 1.00 0.00 O ATOM 0 H GLU A 7 -37.029 6.726 41.393 1.00 0.00 H new ATOM 0 HA GLU A 7 -36.273 6.916 38.580 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -34.107 6.410 39.884 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -34.844 4.896 40.368 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -35.118 4.836 37.597 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -33.584 5.658 37.805 1.00 0.00 H new ATOM 118 N LYS A 8 -37.782 4.804 38.165 1.00 0.00 N ATOM 119 CA LYS A 8 -38.471 3.487 37.951 1.00 0.00 C ATOM 120 C LYS A 8 -37.536 2.248 38.238 1.00 0.00 C ATOM 121 O LYS A 8 -36.455 2.132 37.657 1.00 0.00 O ATOM 122 CB LYS A 8 -39.218 3.487 36.584 1.00 0.00 C ATOM 123 CG LYS A 8 -38.381 3.603 35.287 1.00 0.00 C ATOM 124 CD LYS A 8 -37.795 2.251 34.814 1.00 0.00 C ATOM 125 CE LYS A 8 -36.453 2.369 34.063 1.00 0.00 C ATOM 126 NZ LYS A 8 -35.369 2.652 35.081 1.00 0.00 N ATOM 0 H LYS A 8 -37.681 5.365 37.320 1.00 0.00 H new ATOM 0 HA LYS A 8 -39.249 3.362 38.704 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -39.799 2.566 36.523 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -39.930 4.313 36.595 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -39.006 4.017 34.496 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -37.565 4.307 35.451 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -37.657 1.605 35.681 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -38.520 1.762 34.164 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -36.237 1.447 33.523 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -36.499 3.169 33.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -35.066 3.643 34.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -35.739 2.482 36.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -34.557 2.026 34.907 1.00 0.00 H new ATOM 140 N ARG A 9 -37.914 1.348 39.159 1.00 0.00 N ATOM 141 CA ARG A 9 -37.007 0.336 39.753 1.00 0.00 C ATOM 142 C ARG A 9 -37.677 -1.066 39.681 1.00 0.00 C ATOM 143 O ARG A 9 -38.851 -1.262 40.001 1.00 0.00 O ATOM 144 CB ARG A 9 -36.635 0.722 41.212 1.00 0.00 C ATOM 145 CG ARG A 9 -35.672 1.928 41.275 1.00 0.00 C ATOM 146 CD ARG A 9 -34.855 2.036 42.570 1.00 0.00 C ATOM 147 NE ARG A 9 -33.896 3.156 42.347 1.00 0.00 N ATOM 148 CZ ARG A 9 -32.684 3.227 42.830 1.00 0.00 C ATOM 149 NH1 ARG A 9 -32.391 2.878 44.045 1.00 0.00 N ATOM 150 NH2 ARG A 9 -31.768 3.693 42.045 1.00 0.00 N ATOM 0 H ARG A 9 -38.866 1.296 39.520 1.00 0.00 H new ATOM 0 HA ARG A 9 -36.078 0.302 39.184 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -37.544 0.957 41.766 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -36.174 -0.134 41.705 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -34.983 1.869 40.432 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -36.251 2.843 41.150 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -35.500 2.237 43.425 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -34.328 1.105 42.780 1.00 0.00 H new ATOM 0 HE ARG A 9 -34.213 3.933 41.768 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -33.122 2.531 44.666 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -31.430 2.951 44.379 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -32.008 3.984 41.097 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -30.805 3.769 42.373 1.00 0.00 H new ATOM 164 N MET A 10 -36.886 -2.041 39.251 1.00 0.00 N ATOM 165 CA MET A 10 -37.341 -3.449 39.048 1.00 0.00 C ATOM 166 C MET A 10 -37.869 -4.179 40.329 1.00 0.00 C ATOM 167 O MET A 10 -37.253 -4.136 41.400 1.00 0.00 O ATOM 168 CB MET A 10 -36.187 -4.261 38.392 1.00 0.00 C ATOM 169 CG MET A 10 -36.167 -4.194 36.855 1.00 0.00 C ATOM 170 SD MET A 10 -37.675 -4.959 36.219 1.00 0.00 S ATOM 171 CE MET A 10 -38.035 -3.853 34.852 1.00 0.00 C ATOM 0 H MET A 10 -35.902 -1.897 39.026 1.00 0.00 H new ATOM 0 HA MET A 10 -38.212 -3.393 38.394 1.00 0.00 H new ATOM 0 HB2 MET A 10 -35.235 -3.892 38.774 1.00 0.00 H new ATOM 0 HB3 MET A 10 -36.271 -5.304 38.699 1.00 0.00 H new ATOM 0 HG2 MET A 10 -36.101 -3.158 36.523 1.00 0.00 H new ATOM 0 HG3 MET A 10 -35.289 -4.710 36.466 1.00 0.00 H new ATOM 0 HE1 MET A 10 -39.054 -4.024 34.504 1.00 0.00 H new ATOM 0 HE2 MET A 10 -37.933 -2.820 35.183 1.00 0.00 H new ATOM 0 HE3 MET A 10 -37.337 -4.043 34.037 1.00 0.00 H new ATOM 181 N SER A 11 -39.013 -4.869 40.177 1.00 0.00 N ATOM 182 CA SER A 11 -39.650 -5.673 41.268 1.00 0.00 C ATOM 183 C SER A 11 -38.778 -6.698 42.068 1.00 0.00 C ATOM 184 O SER A 11 -37.902 -7.382 41.537 1.00 0.00 O ATOM 185 CB SER A 11 -40.881 -6.352 40.652 1.00 0.00 C ATOM 186 OG SER A 11 -41.653 -7.094 41.601 1.00 0.00 O ATOM 0 H SER A 11 -39.532 -4.893 39.299 1.00 0.00 H new ATOM 0 HA SER A 11 -39.880 -4.958 42.058 1.00 0.00 H new ATOM 0 HB2 SER A 11 -41.514 -5.593 40.193 1.00 0.00 H new ATOM 0 HB3 SER A 11 -40.557 -7.021 39.855 1.00 0.00 H new ATOM 0 HG SER A 11 -42.422 -7.501 41.150 1.00 0.00 H new ATOM 192 N ARG A 12 -39.094 -6.841 43.367 1.00 0.00 N ATOM 193 CA ARG A 12 -38.334 -7.715 44.313 1.00 0.00 C ATOM 194 C ARG A 12 -38.829 -9.209 44.363 1.00 0.00 C ATOM 195 O ARG A 12 -38.995 -9.802 45.431 1.00 0.00 O ATOM 196 CB ARG A 12 -38.373 -7.010 45.704 1.00 0.00 C ATOM 197 CG ARG A 12 -37.795 -5.573 45.733 1.00 0.00 C ATOM 198 CD ARG A 12 -37.876 -4.895 47.114 1.00 0.00 C ATOM 199 NE ARG A 12 -37.679 -3.433 46.901 1.00 0.00 N ATOM 200 CZ ARG A 12 -38.088 -2.460 47.703 1.00 0.00 C ATOM 201 NH1 ARG A 12 -38.566 -2.660 48.897 1.00 0.00 N ATOM 202 NH2 ARG A 12 -38.003 -1.243 47.268 1.00 0.00 N ATOM 0 H ARG A 12 -39.881 -6.359 43.802 1.00 0.00 H new ATOM 0 HA ARG A 12 -37.308 -7.821 43.961 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -39.407 -6.975 46.047 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -37.821 -7.621 46.418 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -36.753 -5.605 45.415 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -38.331 -4.962 45.007 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -38.841 -5.089 47.581 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -37.113 -5.292 47.783 1.00 0.00 H new ATOM 0 HE ARG A 12 -37.181 -3.154 46.056 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -38.642 -3.609 49.263 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -38.864 -1.868 49.466 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -37.631 -1.059 46.336 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -38.308 -0.468 47.857 1.00 0.00 H new ATOM 216 N SER A 13 -39.067 -9.795 43.181 1.00 0.00 N ATOM 217 CA SER A 13 -39.622 -11.169 43.002 1.00 0.00 C ATOM 218 C SER A 13 -39.509 -11.571 41.490 1.00 0.00 C ATOM 219 O SER A 13 -38.479 -12.114 41.085 1.00 0.00 O ATOM 220 CB SER A 13 -41.048 -11.300 43.625 1.00 0.00 C ATOM 221 OG SER A 13 -41.612 -12.592 43.392 1.00 0.00 O ATOM 0 H SER A 13 -38.879 -9.327 42.295 1.00 0.00 H new ATOM 0 HA SER A 13 -39.033 -11.897 43.560 1.00 0.00 H new ATOM 0 HB2 SER A 13 -40.994 -11.115 44.698 1.00 0.00 H new ATOM 0 HB3 SER A 13 -41.701 -10.537 43.202 1.00 0.00 H new ATOM 0 HG SER A 13 -42.503 -12.638 43.797 1.00 0.00 H new ATOM 227 N SER A 14 -40.541 -11.322 40.652 1.00 0.00 N ATOM 228 CA SER A 14 -40.566 -11.773 39.230 1.00 0.00 C ATOM 229 C SER A 14 -41.622 -10.983 38.384 1.00 0.00 C ATOM 230 O SER A 14 -42.835 -11.047 38.634 1.00 0.00 O ATOM 231 CB SER A 14 -40.835 -13.301 39.167 1.00 0.00 C ATOM 232 OG SER A 14 -40.777 -13.772 37.819 1.00 0.00 O ATOM 0 H SER A 14 -41.376 -10.808 40.933 1.00 0.00 H new ATOM 0 HA SER A 14 -39.590 -11.564 38.792 1.00 0.00 H new ATOM 0 HB2 SER A 14 -40.099 -13.829 39.773 1.00 0.00 H new ATOM 0 HB3 SER A 14 -41.815 -13.520 39.592 1.00 0.00 H new ATOM 0 HG SER A 14 -40.947 -14.737 37.802 1.00 0.00 H new ATOM 238 N GLY A 15 -41.170 -10.269 37.340 1.00 0.00 N ATOM 239 CA GLY A 15 -42.047 -9.809 36.235 1.00 0.00 C ATOM 240 C GLY A 15 -42.812 -8.483 36.387 1.00 0.00 C ATOM 241 O GLY A 15 -43.824 -8.308 35.707 1.00 0.00 O ATOM 0 H GLY A 15 -40.194 -9.993 37.232 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -41.432 -9.732 35.338 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -42.782 -10.593 36.051 1.00 0.00 H new ATOM 245 N ARG A 16 -42.370 -7.556 37.255 1.00 0.00 N ATOM 246 CA ARG A 16 -42.906 -6.178 37.299 1.00 0.00 C ATOM 247 C ARG A 16 -41.754 -5.121 37.375 1.00 0.00 C ATOM 248 O ARG A 16 -40.595 -5.383 37.707 1.00 0.00 O ATOM 249 CB ARG A 16 -43.959 -6.000 38.451 1.00 0.00 C ATOM 250 CG ARG A 16 -45.301 -6.769 38.329 1.00 0.00 C ATOM 251 CD ARG A 16 -45.228 -8.173 38.950 1.00 0.00 C ATOM 252 NE ARG A 16 -46.554 -8.841 38.876 1.00 0.00 N ATOM 253 CZ ARG A 16 -46.757 -10.156 38.872 1.00 0.00 C ATOM 254 NH1 ARG A 16 -45.804 -11.047 38.922 1.00 0.00 N ATOM 255 NH2 ARG A 16 -47.978 -10.581 38.811 1.00 0.00 N ATOM 0 H ARG A 16 -41.637 -7.735 37.942 1.00 0.00 H new ATOM 0 HA ARG A 16 -43.438 -6.000 36.364 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -43.486 -6.298 39.386 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -44.188 -4.938 38.534 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -46.090 -6.198 38.819 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -45.574 -6.853 37.277 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -44.482 -8.771 38.426 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -44.907 -8.102 39.989 1.00 0.00 H new ATOM 0 HE ARG A 16 -47.377 -8.241 38.824 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -44.829 -10.749 38.968 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -46.034 -12.041 38.915 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -48.749 -9.914 38.768 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -48.170 -11.583 38.806 1.00 0.00 H new ATOM 269 N VAL A 17 -42.141 -3.883 37.098 1.00 0.00 N ATOM 270 CA VAL A 17 -41.405 -2.656 37.515 1.00 0.00 C ATOM 271 C VAL A 17 -42.319 -1.894 38.521 1.00 0.00 C ATOM 272 O VAL A 17 -43.527 -1.748 38.317 1.00 0.00 O ATOM 273 CB VAL A 17 -40.931 -1.775 36.303 1.00 0.00 C ATOM 274 CG1 VAL A 17 -41.945 -1.636 35.157 1.00 0.00 C ATOM 275 CG2 VAL A 17 -40.479 -0.342 36.687 1.00 0.00 C ATOM 0 H VAL A 17 -42.989 -3.680 36.568 1.00 0.00 H new ATOM 0 HA VAL A 17 -40.469 -2.928 38.002 1.00 0.00 H new ATOM 0 HB VAL A 17 -40.076 -2.354 35.955 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -41.522 -1.010 34.371 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -42.174 -2.622 34.752 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -42.859 -1.177 35.534 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -40.169 0.194 35.790 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -41.308 0.187 37.158 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -39.642 -0.399 37.383 1.00 0.00 H new ATOM 285 N TYR A 18 -41.702 -1.347 39.568 1.00 0.00 N ATOM 286 CA TYR A 18 -42.335 -0.316 40.420 1.00 0.00 C ATOM 287 C TYR A 18 -41.596 1.059 40.237 1.00 0.00 C ATOM 288 O TYR A 18 -40.712 1.231 39.392 1.00 0.00 O ATOM 289 CB TYR A 18 -42.479 -0.921 41.851 1.00 0.00 C ATOM 290 CG TYR A 18 -41.192 -1.107 42.665 1.00 0.00 C ATOM 291 CD1 TYR A 18 -40.540 -0.043 43.294 1.00 0.00 C ATOM 292 CD2 TYR A 18 -40.598 -2.362 42.650 1.00 0.00 C ATOM 293 CE1 TYR A 18 -39.272 -0.225 43.839 1.00 0.00 C ATOM 294 CE2 TYR A 18 -39.338 -2.554 43.198 1.00 0.00 C ATOM 295 CZ TYR A 18 -38.664 -1.483 43.781 1.00 0.00 C ATOM 296 OH TYR A 18 -37.375 -1.669 44.203 1.00 0.00 O ATOM 0 H TYR A 18 -40.756 -1.597 39.856 1.00 0.00 H new ATOM 0 HA TYR A 18 -43.353 -0.051 40.136 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -43.151 -0.281 42.423 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -42.965 -1.892 41.760 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -41.021 0.922 43.357 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -41.122 -3.196 42.208 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -38.759 0.603 44.305 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -38.880 -3.532 43.173 1.00 0.00 H new ATOM 0 HH TYR A 18 -37.125 -2.610 44.087 1.00 0.00 H new ATOM 306 N TYR A 19 -42.020 2.085 40.976 1.00 0.00 N ATOM 307 CA TYR A 19 -41.436 3.451 40.884 1.00 0.00 C ATOM 308 C TYR A 19 -41.021 3.983 42.289 1.00 0.00 C ATOM 309 O TYR A 19 -41.645 3.664 43.305 1.00 0.00 O ATOM 310 CB TYR A 19 -42.438 4.391 40.179 1.00 0.00 C ATOM 311 CG TYR A 19 -42.672 4.286 38.656 1.00 0.00 C ATOM 312 CD1 TYR A 19 -43.223 3.157 38.038 1.00 0.00 C ATOM 313 CD2 TYR A 19 -42.419 5.419 37.882 1.00 0.00 C ATOM 314 CE1 TYR A 19 -43.505 3.161 36.674 1.00 0.00 C ATOM 315 CE2 TYR A 19 -42.685 5.421 36.514 1.00 0.00 C ATOM 316 CZ TYR A 19 -43.234 4.294 35.915 1.00 0.00 C ATOM 317 OH TYR A 19 -43.552 4.321 34.585 1.00 0.00 O ATOM 0 H TYR A 19 -42.775 2.007 41.657 1.00 0.00 H new ATOM 0 HA TYR A 19 -40.524 3.413 40.288 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -43.405 4.253 40.663 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -42.121 5.413 40.386 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -43.431 2.274 38.625 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -42.012 6.304 38.348 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -43.933 2.286 36.207 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -42.465 6.296 35.921 1.00 0.00 H new ATOM 0 HH TYR A 19 -43.296 5.187 34.205 1.00 0.00 H new ATOM 327 N PHE A 20 -39.939 4.778 42.359 1.00 0.00 N ATOM 328 CA PHE A 20 -39.220 5.017 43.642 1.00 0.00 C ATOM 329 C PHE A 20 -38.730 6.475 43.902 1.00 0.00 C ATOM 330 O PHE A 20 -38.396 7.200 42.972 1.00 0.00 O ATOM 331 CB PHE A 20 -38.102 3.927 43.737 1.00 0.00 C ATOM 332 CG PHE A 20 -37.365 3.805 45.083 1.00 0.00 C ATOM 333 CD1 PHE A 20 -38.002 3.264 46.185 1.00 0.00 C ATOM 334 CD2 PHE A 20 -36.075 4.287 45.217 1.00 0.00 C ATOM 335 CE1 PHE A 20 -37.363 3.211 47.419 1.00 0.00 C ATOM 336 CE2 PHE A 20 -35.418 4.226 46.441 1.00 0.00 C ATOM 337 CZ PHE A 20 -36.021 3.654 47.598 1.00 0.00 C ATOM 0 H PHE A 20 -39.540 5.265 41.557 1.00 0.00 H new ATOM 0 HA PHE A 20 -39.929 4.917 44.464 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -38.549 2.960 43.506 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -37.363 4.130 42.962 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -39.006 2.879 46.086 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -35.573 4.715 44.362 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -37.902 2.821 48.270 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -34.417 4.625 46.517 1.00 0.00 H new ATOM 0 HZ PHE A 20 -35.500 3.563 48.540 1.00 0.00 H new ATOM 347 N ASN A 21 -38.666 6.871 45.188 1.00 0.00 N ATOM 348 CA ASN A 21 -38.028 8.118 45.675 1.00 0.00 C ATOM 349 C ASN A 21 -36.753 7.783 46.526 1.00 0.00 C ATOM 350 O ASN A 21 -36.864 7.047 47.511 1.00 0.00 O ATOM 351 CB ASN A 21 -39.077 8.862 46.562 1.00 0.00 C ATOM 352 CG ASN A 21 -38.959 10.381 46.756 1.00 0.00 C ATOM 353 OD1 ASN A 21 -39.956 11.078 46.928 1.00 0.00 O ATOM 354 ND2 ASN A 21 -37.775 10.935 46.813 1.00 0.00 N ATOM 0 H ASN A 21 -39.069 6.317 45.944 1.00 0.00 H new ATOM 0 HA ASN A 21 -37.717 8.739 44.835 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -40.062 8.662 46.141 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -39.054 8.403 47.550 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -37.688 11.934 46.998 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -36.939 10.368 46.672 1.00 0.00 H new ATOM 361 N HIS A 22 -35.567 8.352 46.235 1.00 0.00 N ATOM 362 CA HIS A 22 -34.338 8.107 47.063 1.00 0.00 C ATOM 363 C HIS A 22 -34.289 8.920 48.407 1.00 0.00 C ATOM 364 O HIS A 22 -33.919 8.392 49.453 1.00 0.00 O ATOM 365 CB HIS A 22 -33.043 8.394 46.240 1.00 0.00 C ATOM 366 CG HIS A 22 -32.879 7.800 44.840 1.00 0.00 C ATOM 367 ND1 HIS A 22 -33.580 6.718 44.358 1.00 0.00 N ATOM 368 CD2 HIS A 22 -32.286 8.497 43.779 1.00 0.00 C ATOM 369 CE1 HIS A 22 -33.439 6.937 43.018 1.00 0.00 C ATOM 370 NE2 HIS A 22 -32.624 7.935 42.564 1.00 0.00 N ATOM 0 H HIS A 22 -35.420 8.980 45.445 1.00 0.00 H new ATOM 0 HA HIS A 22 -34.390 7.053 47.335 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -32.952 9.476 46.146 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -32.197 8.054 46.838 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -34.064 5.971 44.856 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -31.648 9.361 43.896 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -33.974 6.318 42.313 1.00 0.00 H new ATOM 378 N ILE A 23 -34.622 10.218 48.337 1.00 0.00 N ATOM 379 CA ILE A 23 -34.418 11.216 49.436 1.00 0.00 C ATOM 380 C ILE A 23 -35.511 11.121 50.567 1.00 0.00 C ATOM 381 O ILE A 23 -35.195 11.198 51.754 1.00 0.00 O ATOM 382 CB ILE A 23 -34.278 12.669 48.827 1.00 0.00 C ATOM 383 CG1 ILE A 23 -33.487 12.766 47.477 1.00 0.00 C ATOM 384 CG2 ILE A 23 -33.662 13.635 49.875 1.00 0.00 C ATOM 385 CD1 ILE A 23 -33.432 14.140 46.792 1.00 0.00 C ATOM 0 H ILE A 23 -35.050 10.626 47.506 1.00 0.00 H new ATOM 0 HA ILE A 23 -33.483 10.973 49.941 1.00 0.00 H new ATOM 0 HB ILE A 23 -35.297 12.963 48.578 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -32.464 12.439 47.661 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -33.927 12.057 46.776 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -33.571 14.631 49.442 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -34.306 13.678 50.753 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -32.675 13.275 50.166 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -32.855 14.064 45.870 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -34.444 14.472 46.560 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -32.958 14.860 47.459 1.00 0.00 H new ATOM 397 N THR A 24 -36.793 10.929 50.204 1.00 0.00 N ATOM 398 CA THR A 24 -37.799 10.296 51.110 1.00 0.00 C ATOM 399 C THR A 24 -37.508 8.803 51.520 1.00 0.00 C ATOM 400 O THR A 24 -37.670 8.464 52.692 1.00 0.00 O ATOM 401 CB THR A 24 -39.192 10.477 50.440 1.00 0.00 C ATOM 402 OG1 THR A 24 -39.517 11.860 50.315 1.00 0.00 O ATOM 403 CG2 THR A 24 -40.375 9.800 51.133 1.00 0.00 C ATOM 0 H THR A 24 -37.167 11.199 49.294 1.00 0.00 H new ATOM 0 HA THR A 24 -37.753 10.802 52.074 1.00 0.00 H new ATOM 0 HB THR A 24 -39.063 9.981 49.478 1.00 0.00 H new ATOM 0 HG1 THR A 24 -39.948 12.018 49.449 1.00 0.00 H new ATOM 0 HG21 THR A 24 -41.288 9.999 50.572 1.00 0.00 H new ATOM 0 HG22 THR A 24 -40.204 8.724 51.178 1.00 0.00 H new ATOM 0 HG23 THR A 24 -40.478 10.193 52.144 1.00 0.00 H new ATOM 411 N ASN A 25 -37.193 7.925 50.546 1.00 0.00 N ATOM 412 CA ASN A 25 -37.172 6.437 50.701 1.00 0.00 C ATOM 413 C ASN A 25 -38.628 5.849 50.691 1.00 0.00 C ATOM 414 O ASN A 25 -39.162 5.439 51.725 1.00 0.00 O ATOM 415 CB ASN A 25 -36.222 5.950 51.835 1.00 0.00 C ATOM 416 CG ASN A 25 -35.873 4.465 51.791 1.00 0.00 C ATOM 417 OD1 ASN A 25 -34.938 4.031 51.133 1.00 0.00 O ATOM 418 ND2 ASN A 25 -36.617 3.630 52.468 1.00 0.00 N ATOM 0 H ASN A 25 -36.939 8.227 49.605 1.00 0.00 H new ATOM 0 HA ASN A 25 -36.700 5.999 49.821 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -35.298 6.526 51.787 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -36.686 6.170 52.797 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -36.414 2.631 52.443 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -37.400 3.978 53.021 1.00 0.00 H new ATOM 425 N ALA A 26 -39.277 5.840 49.510 1.00 0.00 N ATOM 426 CA ALA A 26 -40.670 5.351 49.351 1.00 0.00 C ATOM 427 C ALA A 26 -40.916 4.690 47.960 1.00 0.00 C ATOM 428 O ALA A 26 -40.685 5.302 46.910 1.00 0.00 O ATOM 429 CB ALA A 26 -41.634 6.536 49.578 1.00 0.00 C ATOM 0 H ALA A 26 -38.857 6.169 48.641 1.00 0.00 H new ATOM 0 HA ALA A 26 -40.851 4.571 50.090 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -42.663 6.195 49.465 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -41.492 6.933 50.583 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -41.428 7.317 48.846 1.00 0.00 H new ATOM 435 N SER A 27 -41.431 3.451 47.962 1.00 0.00 N ATOM 436 CA SER A 27 -41.896 2.755 46.739 1.00 0.00 C ATOM 437 C SER A 27 -43.425 2.922 46.472 1.00 0.00 C ATOM 438 O SER A 27 -44.274 2.537 47.282 1.00 0.00 O ATOM 439 CB SER A 27 -41.509 1.260 46.819 1.00 0.00 C ATOM 440 OG SER A 27 -42.087 0.601 47.950 1.00 0.00 O ATOM 0 H SER A 27 -41.540 2.897 48.811 1.00 0.00 H new ATOM 0 HA SER A 27 -41.397 3.224 45.891 1.00 0.00 H new ATOM 0 HB2 SER A 27 -41.829 0.756 45.907 1.00 0.00 H new ATOM 0 HB3 SER A 27 -40.424 1.172 46.867 1.00 0.00 H new ATOM 0 HG SER A 27 -42.978 0.970 48.123 1.00 0.00 H new ATOM 446 N GLN A 28 -43.748 3.431 45.282 1.00 0.00 N ATOM 447 CA GLN A 28 -45.079 3.210 44.632 1.00 0.00 C ATOM 448 C GLN A 28 -44.864 2.374 43.319 1.00 0.00 C ATOM 449 O GLN A 28 -43.850 1.695 43.167 1.00 0.00 O ATOM 450 CB GLN A 28 -45.844 4.575 44.536 1.00 0.00 C ATOM 451 CG GLN A 28 -45.166 5.708 43.737 1.00 0.00 C ATOM 452 CD GLN A 28 -46.039 6.963 43.731 1.00 0.00 C ATOM 453 OE1 GLN A 28 -46.124 7.740 44.686 1.00 0.00 O ATOM 454 NE2 GLN A 28 -46.806 7.098 42.683 1.00 0.00 N ATOM 0 H GLN A 28 -43.112 4.007 44.730 1.00 0.00 H new ATOM 0 HA GLN A 28 -45.760 2.594 45.219 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -46.820 4.385 44.090 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -46.021 4.935 45.549 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -44.194 5.937 44.175 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -44.985 5.380 42.713 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -46.722 6.447 41.902 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -47.489 7.855 42.645 1.00 0.00 H new ATOM 463 N TRP A 29 -45.812 2.360 42.381 1.00 0.00 N ATOM 464 CA TRP A 29 -45.690 1.606 41.082 1.00 0.00 C ATOM 465 C TRP A 29 -46.113 2.400 39.788 1.00 0.00 C ATOM 466 O TRP A 29 -46.237 1.813 38.711 1.00 0.00 O ATOM 467 CB TRP A 29 -46.274 0.163 41.320 1.00 0.00 C ATOM 468 CG TRP A 29 -47.444 -0.348 40.474 1.00 0.00 C ATOM 469 CD1 TRP A 29 -48.723 0.244 40.448 1.00 0.00 C ATOM 470 CD2 TRP A 29 -47.492 -1.394 39.561 1.00 0.00 C ATOM 471 NE1 TRP A 29 -49.573 -0.396 39.533 1.00 0.00 N ATOM 472 CE2 TRP A 29 -48.787 -1.389 38.982 1.00 0.00 C ATOM 473 CE3 TRP A 29 -46.513 -2.333 39.118 1.00 0.00 C ATOM 474 CZ2 TRP A 29 -49.106 -2.285 37.941 1.00 0.00 C ATOM 475 CZ3 TRP A 29 -46.856 -3.204 38.082 1.00 0.00 C ATOM 476 CH2 TRP A 29 -48.131 -3.181 37.503 1.00 0.00 C ATOM 0 H TRP A 29 -46.694 2.863 42.477 1.00 0.00 H new ATOM 0 HA TRP A 29 -44.644 1.478 40.803 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -45.453 -0.542 41.193 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -46.583 0.108 42.364 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -49.013 1.087 41.058 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -50.547 -0.178 39.323 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -45.534 -2.369 39.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -50.088 -2.278 37.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -46.123 -3.910 37.720 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -48.363 -3.869 36.704 1.00 0.00 H new ATOM 487 N GLU A 30 -46.251 3.732 39.873 1.00 0.00 N ATOM 488 CA GLU A 30 -46.874 4.576 38.831 1.00 0.00 C ATOM 489 C GLU A 30 -46.117 5.932 38.674 1.00 0.00 C ATOM 490 O GLU A 30 -45.589 6.496 39.635 1.00 0.00 O ATOM 491 CB GLU A 30 -48.359 4.730 39.264 1.00 0.00 C ATOM 492 CG GLU A 30 -49.294 5.484 38.290 1.00 0.00 C ATOM 493 CD GLU A 30 -50.728 5.517 38.776 1.00 0.00 C ATOM 494 OE1 GLU A 30 -51.041 6.333 39.666 1.00 0.00 O ATOM 495 OE2 GLU A 30 -51.548 4.731 38.260 1.00 0.00 O ATOM 0 H GLU A 30 -45.929 4.266 40.680 1.00 0.00 H new ATOM 0 HA GLU A 30 -46.819 4.129 37.838 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -48.770 3.734 39.427 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -48.381 5.246 40.224 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -48.933 6.504 38.161 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -49.256 5.006 37.311 1.00 0.00 H new ATOM 502 N ARG A 31 -46.066 6.460 37.444 1.00 0.00 N ATOM 503 CA ARG A 31 -45.397 7.755 37.133 1.00 0.00 C ATOM 504 C ARG A 31 -46.085 9.023 37.762 1.00 0.00 C ATOM 505 O ARG A 31 -47.317 9.079 37.718 1.00 0.00 O ATOM 506 CB ARG A 31 -45.339 7.807 35.575 1.00 0.00 C ATOM 507 CG ARG A 31 -44.509 8.963 34.965 1.00 0.00 C ATOM 508 CD ARG A 31 -44.660 9.067 33.436 1.00 0.00 C ATOM 509 NE ARG A 31 -44.241 10.412 32.976 1.00 0.00 N ATOM 510 CZ ARG A 31 -43.037 10.785 32.571 1.00 0.00 C ATOM 511 NH1 ARG A 31 -42.024 9.974 32.460 1.00 0.00 N ATOM 512 NH2 ARG A 31 -42.874 12.032 32.273 1.00 0.00 N ATOM 0 H ARG A 31 -46.483 6.011 36.629 1.00 0.00 H new ATOM 0 HA ARG A 31 -44.407 7.790 37.588 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -44.930 6.863 35.215 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -46.358 7.878 35.195 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -44.817 9.904 35.420 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -43.457 8.818 35.212 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -44.055 8.302 32.950 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -45.696 8.882 33.151 1.00 0.00 H new ATOM 0 HE ARG A 31 -44.963 11.133 32.971 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -42.133 8.987 32.692 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -41.121 10.326 32.142 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -43.656 12.682 32.355 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -41.964 12.366 31.956 1.00 0.00 H new ATOM 526 N PRO A 32 -45.390 10.119 38.214 1.00 0.00 N ATOM 527 CA PRO A 32 -46.084 11.408 38.546 1.00 0.00 C ATOM 528 C PRO A 32 -46.771 12.215 37.364 1.00 0.00 C ATOM 529 O PRO A 32 -47.058 13.405 37.516 1.00 0.00 O ATOM 530 CB PRO A 32 -44.882 12.202 39.115 1.00 0.00 C ATOM 531 CG PRO A 32 -43.670 11.709 38.320 1.00 0.00 C ATOM 532 CD PRO A 32 -43.913 10.215 38.303 1.00 0.00 C ATOM 0 HA PRO A 32 -46.948 11.234 39.188 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -45.024 13.276 38.992 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -44.756 12.017 40.182 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -43.638 12.132 37.316 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -42.728 11.967 38.805 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -43.425 9.736 37.454 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -43.531 9.734 39.203 1.00 0.00 H new ATOM 540 N SER A 33 -46.947 11.608 36.171 1.00 0.00 N ATOM 541 CA SER A 33 -47.410 12.280 34.916 1.00 0.00 C ATOM 542 C SER A 33 -46.366 13.277 34.309 1.00 0.00 C ATOM 543 O SER A 33 -45.639 12.934 33.364 1.00 0.00 O ATOM 544 CB SER A 33 -48.888 12.749 34.989 1.00 0.00 C ATOM 545 OG SER A 33 -49.758 11.615 35.023 1.00 0.00 O ATOM 0 H SER A 33 -46.769 10.612 36.040 1.00 0.00 H new ATOM 0 HA SER A 33 -47.447 11.516 34.140 1.00 0.00 H new ATOM 0 HB2 SER A 33 -49.041 13.362 35.877 1.00 0.00 H new ATOM 0 HB3 SER A 33 -49.123 13.373 34.127 1.00 0.00 H new ATOM 0 HG SER A 33 -50.615 11.872 35.422 1.00 0.00 H new ATOM 551 N GLY A 34 -46.260 14.481 34.874 1.00 0.00 N ATOM 552 CA GLY A 34 -45.298 15.516 34.440 1.00 0.00 C ATOM 553 C GLY A 34 -45.703 16.941 34.850 1.00 0.00 C ATOM 554 O GLY A 34 -45.210 17.465 35.846 1.00 0.00 O ATOM 0 H GLY A 34 -46.844 14.776 35.657 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -44.319 15.290 34.862 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -45.196 15.474 33.356 1.00 0.00 H new ATOM 558 N ASN A 35 -46.580 17.562 34.054 1.00 0.00 N ATOM 559 CA ASN A 35 -47.208 18.873 34.397 1.00 0.00 C ATOM 560 C ASN A 35 -48.734 18.780 34.067 1.00 0.00 C ATOM 561 O ASN A 35 -49.178 19.172 32.983 1.00 0.00 O ATOM 562 CB ASN A 35 -46.488 20.011 33.620 1.00 0.00 C ATOM 563 CG ASN A 35 -45.167 20.480 34.225 1.00 0.00 C ATOM 564 OD1 ASN A 35 -45.130 21.264 35.164 1.00 0.00 O ATOM 565 ND2 ASN A 35 -44.046 20.038 33.721 1.00 0.00 N ATOM 0 H ASN A 35 -46.883 17.185 33.156 1.00 0.00 H new ATOM 0 HA ASN A 35 -47.104 19.104 35.457 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -46.302 19.671 32.601 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -47.162 20.865 33.553 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -43.155 20.347 34.110 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -44.061 19.384 32.938 1.00 0.00 H new ATOM 572 N SER A 36 -49.523 18.190 34.985 1.00 0.00 N ATOM 573 CA SER A 36 -50.911 17.714 34.704 1.00 0.00 C ATOM 574 C SER A 36 -51.027 16.706 33.497 1.00 0.00 C ATOM 575 O SER A 36 -50.299 15.707 33.472 1.00 0.00 O ATOM 576 CB SER A 36 -51.903 18.907 34.810 1.00 0.00 C ATOM 577 OG SER A 36 -53.262 18.476 34.687 1.00 0.00 O ATOM 0 H SER A 36 -49.225 18.025 35.947 1.00 0.00 H new ATOM 0 HA SER A 36 -51.244 17.030 35.484 1.00 0.00 H new ATOM 0 HB2 SER A 36 -51.766 19.411 35.767 1.00 0.00 H new ATOM 0 HB3 SER A 36 -51.680 19.636 34.031 1.00 0.00 H new ATOM 0 HG SER A 36 -53.363 17.591 35.096 1.00 0.00 H new ATOM 583 N SER A 37 -51.921 16.935 32.514 1.00 0.00 N ATOM 584 CA SER A 37 -52.183 16.015 31.358 1.00 0.00 C ATOM 585 C SER A 37 -52.895 14.657 31.696 1.00 0.00 C ATOM 586 O SER A 37 -53.970 14.373 31.162 1.00 0.00 O ATOM 587 CB SER A 37 -50.954 15.874 30.421 1.00 0.00 C ATOM 588 OG SER A 37 -51.308 15.231 29.194 1.00 0.00 O ATOM 0 H SER A 37 -52.498 17.776 32.489 1.00 0.00 H new ATOM 0 HA SER A 37 -52.954 16.530 30.784 1.00 0.00 H new ATOM 0 HB2 SER A 37 -50.539 16.860 30.211 1.00 0.00 H new ATOM 0 HB3 SER A 37 -50.175 15.300 30.923 1.00 0.00 H new ATOM 0 HG SER A 37 -50.515 15.157 28.623 1.00 0.00 H new ATOM 594 N SER A 38 -52.302 13.825 32.564 1.00 0.00 N ATOM 595 CA SER A 38 -53.042 12.758 33.296 1.00 0.00 C ATOM 596 C SER A 38 -52.884 12.952 34.846 1.00 0.00 C ATOM 597 O SER A 38 -52.337 12.092 35.547 1.00 0.00 O ATOM 598 CB SER A 38 -52.534 11.397 32.759 1.00 0.00 C ATOM 599 OG SER A 38 -53.173 10.312 33.433 1.00 0.00 O ATOM 0 H SER A 38 -51.307 13.862 32.785 1.00 0.00 H new ATOM 0 HA SER A 38 -54.117 12.804 33.122 1.00 0.00 H new ATOM 0 HB2 SER A 38 -52.727 11.329 31.688 1.00 0.00 H new ATOM 0 HB3 SER A 38 -51.454 11.329 32.893 1.00 0.00 H new ATOM 0 HG SER A 38 -53.025 10.394 34.398 1.00 0.00 H new ATOM 605 N GLY A 39 -53.365 14.088 35.370 1.00 0.00 N ATOM 606 CA GLY A 39 -53.167 14.489 36.783 1.00 0.00 C ATOM 607 C GLY A 39 -53.160 16.012 36.962 1.00 0.00 C ATOM 608 O GLY A 39 -53.982 16.727 36.345 1.00 0.00 O ATOM 609 OXT GLY A 39 -52.299 16.515 37.711 1.00 0.00 O ATOM 0 H GLY A 39 -53.906 14.762 34.829 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -53.959 14.057 37.395 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -52.225 14.079 37.146 1.00 0.00 H new TER 613 GLY A 39