USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 373 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 Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 40:sc= 0.132 USER MOD Single : A 15 HIS : no HD1:sc= -0.0383 X(o=-0.038,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.399 K(o=-0.4,f=-3.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -65:sc= -0.166 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 15:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N VAL A 3 30.255 36.165 28.264 1.00 0.00 N ATOM 30 CA VAL A 3 31.690 35.980 28.548 1.00 0.00 C ATOM 31 C VAL A 3 32.401 35.260 27.398 1.00 0.00 C ATOM 32 O VAL A 3 31.799 34.460 26.681 1.00 0.00 O ATOM 33 CB VAL A 3 31.941 35.216 29.874 1.00 0.00 C ATOM 34 CG1 VAL A 3 31.537 36.073 31.083 1.00 0.00 C ATOM 35 CG2 VAL A 3 31.245 33.845 29.948 1.00 0.00 C ATOM 0 HA VAL A 3 32.106 36.982 28.654 1.00 0.00 H new ATOM 0 HB VAL A 3 33.013 35.020 29.898 1.00 0.00 H new ATOM 0 HG11 VAL A 3 31.722 35.516 32.002 1.00 0.00 H new ATOM 0 HG12 VAL A 3 32.124 36.991 31.091 1.00 0.00 H new ATOM 0 HG13 VAL A 3 30.478 36.320 31.016 1.00 0.00 H new ATOM 0 HG21 VAL A 3 31.469 33.374 30.905 1.00 0.00 H new ATOM 0 HG22 VAL A 3 30.167 33.978 29.853 1.00 0.00 H new ATOM 0 HG23 VAL A 3 31.605 33.210 29.138 1.00 0.00 H new ATOM 45 N ASN A 4 33.703 35.522 27.250 1.00 0.00 N ATOM 46 CA ASN A 4 34.616 34.711 26.448 1.00 0.00 C ATOM 47 C ASN A 4 35.609 33.987 27.369 1.00 0.00 C ATOM 48 O ASN A 4 36.252 34.632 28.202 1.00 0.00 O ATOM 49 CB ASN A 4 35.366 35.593 25.440 1.00 0.00 C ATOM 50 CG ASN A 4 34.443 36.238 24.419 1.00 0.00 C ATOM 51 OD1 ASN A 4 34.179 37.434 24.450 1.00 0.00 O ATOM 52 ND2 ASN A 4 33.904 35.470 23.494 1.00 0.00 N ATOM 0 H ASN A 4 34.158 36.320 27.694 1.00 0.00 H new ATOM 0 HA ASN A 4 34.041 33.969 25.894 1.00 0.00 H new ATOM 0 HB2 ASN A 4 35.906 36.372 25.978 1.00 0.00 H new ATOM 0 HB3 ASN A 4 36.110 34.990 24.920 1.00 0.00 H new ATOM 0 HD21 ASN A 4 33.268 35.871 22.805 1.00 0.00 H new ATOM 0 HD22 ASN A 4 34.123 34.474 23.467 1.00 0.00 H new ATOM 59 N THR A 5 35.748 32.665 27.213 1.00 0.00 N ATOM 60 CA THR A 5 36.658 31.802 27.981 1.00 0.00 C ATOM 61 C THR A 5 37.688 31.238 27.031 1.00 0.00 C ATOM 62 O THR A 5 37.353 30.580 26.046 1.00 0.00 O ATOM 63 CB THR A 5 35.919 30.649 28.673 1.00 0.00 C ATOM 64 OG1 THR A 5 35.068 29.937 27.798 1.00 0.00 O ATOM 65 CG2 THR A 5 35.073 31.198 29.808 1.00 0.00 C ATOM 0 H THR A 5 35.209 32.145 26.521 1.00 0.00 H new ATOM 0 HA THR A 5 37.125 32.402 28.762 1.00 0.00 H new ATOM 0 HB THR A 5 36.683 29.962 29.037 1.00 0.00 H new ATOM 0 HG1 THR A 5 35.504 29.839 26.926 1.00 0.00 H new ATOM 0 HG21 THR A 5 34.548 30.379 30.300 1.00 0.00 H new ATOM 0 HG22 THR A 5 35.716 31.702 30.530 1.00 0.00 H new ATOM 0 HG23 THR A 5 34.347 31.907 29.411 1.00 0.00 H new ATOM 73 N GLY A 6 38.956 31.397 27.391 1.00 0.00 N ATOM 74 CA GLY A 6 40.024 30.559 26.864 1.00 0.00 C ATOM 75 C GLY A 6 40.012 29.184 27.528 1.00 0.00 C ATOM 76 O GLY A 6 41.006 28.799 28.130 1.00 0.00 O ATOM 0 H GLY A 6 39.271 32.107 28.053 1.00 0.00 H new ATOM 0 HA2 GLY A 6 39.907 30.448 25.786 1.00 0.00 H new ATOM 0 HA3 GLY A 6 40.987 31.041 27.032 1.00 0.00 H new ATOM 80 N LEU A 7 38.890 28.467 27.496 1.00 0.00 N ATOM 81 CA LEU A 7 38.777 27.103 28.028 1.00 0.00 C ATOM 82 C LEU A 7 39.038 26.053 26.918 1.00 0.00 C ATOM 83 O LEU A 7 39.083 26.435 25.740 1.00 0.00 O ATOM 84 CB LEU A 7 37.442 26.962 28.783 1.00 0.00 C ATOM 85 CG LEU A 7 37.549 27.376 30.273 1.00 0.00 C ATOM 86 CD1 LEU A 7 36.140 27.555 30.853 1.00 0.00 C ATOM 87 CD2 LEU A 7 38.288 26.347 31.152 1.00 0.00 C ATOM 0 H LEU A 7 38.020 28.818 27.095 1.00 0.00 H new ATOM 0 HA LEU A 7 39.555 26.903 28.765 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.686 27.576 28.293 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.102 25.928 28.721 1.00 0.00 H new ATOM 0 HG LEU A 7 38.124 28.302 30.288 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.212 27.846 31.901 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.613 28.330 30.296 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.592 26.616 30.774 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.323 26.706 32.181 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.760 25.394 31.118 1.00 0.00 H new ATOM 0 HD23 LEU A 7 39.304 26.213 30.780 1.00 0.00 H new ATOM 99 N PRO A 8 39.247 24.760 27.259 1.00 0.00 N ATOM 100 CA PRO A 8 39.432 23.685 26.281 1.00 0.00 C ATOM 101 C PRO A 8 38.072 23.276 25.674 1.00 0.00 C ATOM 102 O PRO A 8 37.228 24.134 25.418 1.00 0.00 O ATOM 103 CB PRO A 8 40.142 22.596 27.092 1.00 0.00 C ATOM 104 CG PRO A 8 39.405 22.685 28.417 1.00 0.00 C ATOM 105 CD PRO A 8 39.364 24.194 28.609 1.00 0.00 C ATOM 0 HA PRO A 8 40.024 23.949 25.405 1.00 0.00 H new ATOM 0 HB2 PRO A 8 40.045 21.612 26.633 1.00 0.00 H new ATOM 0 HB3 PRO A 8 41.208 22.793 27.201 1.00 0.00 H new ATOM 0 HG2 PRO A 8 38.409 22.246 28.368 1.00 0.00 H new ATOM 0 HG3 PRO A 8 39.937 22.179 29.222 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.519 24.487 29.232 1.00 0.00 H new ATOM 0 HD3 PRO A 8 40.266 24.551 29.107 1.00 0.00 H new ATOM 113 N ALA A 9 37.824 21.986 25.425 1.00 0.00 N ATOM 114 CA ALA A 9 36.540 21.504 24.895 1.00 0.00 C ATOM 115 C ALA A 9 35.365 21.646 25.890 1.00 0.00 C ATOM 116 O ALA A 9 34.212 21.704 25.455 1.00 0.00 O ATOM 117 CB ALA A 9 36.721 20.058 24.410 1.00 0.00 C ATOM 0 H ALA A 9 38.506 21.245 25.585 1.00 0.00 H new ATOM 0 HA ALA A 9 36.258 22.140 24.056 1.00 0.00 H new ATOM 0 HB1 ALA A 9 35.776 19.686 24.014 1.00 0.00 H new ATOM 0 HB2 ALA A 9 37.479 20.029 23.628 1.00 0.00 H new ATOM 0 HB3 ALA A 9 37.036 19.431 25.244 1.00 0.00 H new ATOM 123 N GLY A 10 35.646 21.748 27.193 1.00 0.00 N ATOM 124 CA GLY A 10 34.705 22.040 28.277 1.00 0.00 C ATOM 125 C GLY A 10 34.770 23.514 28.644 1.00 0.00 C ATOM 126 O GLY A 10 35.474 23.891 29.578 1.00 0.00 O ATOM 0 H GLY A 10 36.597 21.621 27.540 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.692 21.778 27.970 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.942 21.430 29.149 1.00 0.00 H new ATOM 130 N TRP A 11 34.076 24.342 27.861 1.00 0.00 N ATOM 131 CA TRP A 11 34.162 25.810 27.935 1.00 0.00 C ATOM 132 C TRP A 11 32.863 26.562 28.269 1.00 0.00 C ATOM 133 O TRP A 11 32.942 27.746 28.605 1.00 0.00 O ATOM 134 CB TRP A 11 34.713 26.327 26.600 1.00 0.00 C ATOM 135 CG TRP A 11 33.783 26.217 25.425 1.00 0.00 C ATOM 136 CD1 TRP A 11 33.697 25.163 24.582 1.00 0.00 C ATOM 137 CD2 TRP A 11 32.791 27.186 24.949 1.00 0.00 C ATOM 138 NE1 TRP A 11 32.733 25.410 23.624 1.00 0.00 N ATOM 139 CE2 TRP A 11 32.148 26.644 23.796 1.00 0.00 C ATOM 140 CE3 TRP A 11 32.367 28.468 25.371 1.00 0.00 C ATOM 141 CZ2 TRP A 11 31.151 27.337 23.093 1.00 0.00 C ATOM 142 CZ3 TRP A 11 31.372 29.176 24.670 1.00 0.00 C ATOM 143 CH2 TRP A 11 30.764 28.614 23.533 1.00 0.00 C ATOM 0 H TRP A 11 33.428 24.012 27.146 1.00 0.00 H new ATOM 0 HA TRP A 11 34.817 26.016 28.782 1.00 0.00 H new ATOM 0 HB2 TRP A 11 34.991 27.374 26.724 1.00 0.00 H new ATOM 0 HB3 TRP A 11 35.627 25.780 26.369 1.00 0.00 H new ATOM 0 HD1 TRP A 11 34.292 24.264 24.648 1.00 0.00 H new ATOM 0 HE1 TRP A 11 32.485 24.758 22.880 1.00 0.00 H new ATOM 0 HE3 TRP A 11 32.815 28.912 26.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 30.687 26.894 22.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 31.074 30.157 25.008 1.00 0.00 H new ATOM 0 HH2 TRP A 11 30.002 29.163 23.000 1.00 0.00 H new ATOM 154 N GLU A 12 31.697 25.923 28.145 1.00 0.00 N ATOM 155 CA GLU A 12 30.394 26.569 28.344 1.00 0.00 C ATOM 156 C GLU A 12 30.056 26.662 29.836 1.00 0.00 C ATOM 157 O GLU A 12 30.093 25.655 30.529 1.00 0.00 O ATOM 158 CB GLU A 12 29.303 25.797 27.583 1.00 0.00 C ATOM 159 CG GLU A 12 29.237 26.193 26.096 1.00 0.00 C ATOM 160 CD GLU A 12 27.809 26.468 25.628 1.00 0.00 C ATOM 161 OE1 GLU A 12 27.090 27.258 26.288 1.00 0.00 O ATOM 162 OE2 GLU A 12 27.382 25.911 24.588 1.00 0.00 O ATOM 0 H GLU A 12 31.628 24.935 27.902 1.00 0.00 H new ATOM 0 HA GLU A 12 30.443 27.584 27.949 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.495 24.727 27.664 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.336 25.984 28.050 1.00 0.00 H new ATOM 0 HG2 GLU A 12 29.847 27.081 25.932 1.00 0.00 H new ATOM 0 HG3 GLU A 12 29.667 25.395 25.491 1.00 0.00 H new ATOM 169 N VAL A 13 29.722 27.847 30.349 1.00 0.00 N ATOM 170 CA VAL A 13 29.664 28.085 31.808 1.00 0.00 C ATOM 171 C VAL A 13 28.282 27.767 32.376 1.00 0.00 C ATOM 172 O VAL A 13 27.268 28.221 31.836 1.00 0.00 O ATOM 173 CB VAL A 13 30.104 29.504 32.226 1.00 0.00 C ATOM 174 CG1 VAL A 13 31.486 29.867 31.649 1.00 0.00 C ATOM 175 CG2 VAL A 13 29.127 30.614 31.801 1.00 0.00 C ATOM 0 H VAL A 13 29.486 28.662 29.783 1.00 0.00 H new ATOM 0 HA VAL A 13 30.391 27.396 32.238 1.00 0.00 H new ATOM 0 HB VAL A 13 30.131 29.460 33.315 1.00 0.00 H new ATOM 0 HG11 VAL A 13 31.760 30.873 31.966 1.00 0.00 H new ATOM 0 HG12 VAL A 13 32.230 29.157 32.012 1.00 0.00 H new ATOM 0 HG13 VAL A 13 31.448 29.827 30.560 1.00 0.00 H new ATOM 0 HG21 VAL A 13 29.508 31.580 32.132 1.00 0.00 H new ATOM 0 HG22 VAL A 13 29.028 30.615 30.716 1.00 0.00 H new ATOM 0 HG23 VAL A 13 28.152 30.434 32.254 1.00 0.00 H new ATOM 185 N ARG A 14 28.236 26.987 33.459 1.00 0.00 N ATOM 186 CA ARG A 14 26.999 26.479 34.056 1.00 0.00 C ATOM 187 C ARG A 14 27.052 26.477 35.591 1.00 0.00 C ATOM 188 O ARG A 14 28.129 26.452 36.174 1.00 0.00 O ATOM 189 CB ARG A 14 26.759 25.036 33.573 1.00 0.00 C ATOM 190 CG ARG A 14 26.527 24.824 32.069 1.00 0.00 C ATOM 191 CD ARG A 14 25.182 25.392 31.610 1.00 0.00 C ATOM 192 NE ARG A 14 25.006 25.282 30.151 1.00 0.00 N ATOM 193 CZ ARG A 14 25.564 26.027 29.207 1.00 0.00 C ATOM 194 NH1 ARG A 14 26.336 27.052 29.473 1.00 0.00 N ATOM 195 NH2 ARG A 14 25.357 25.729 27.951 1.00 0.00 N ATOM 0 H ARG A 14 29.075 26.685 33.955 1.00 0.00 H new ATOM 0 HA ARG A 14 26.190 27.140 33.745 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.618 24.434 33.870 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.894 24.642 34.106 1.00 0.00 H new ATOM 0 HG2 ARG A 14 27.332 25.299 31.508 1.00 0.00 H new ATOM 0 HG3 ARG A 14 26.567 23.758 31.843 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.374 24.862 32.114 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.110 26.439 31.906 1.00 0.00 H new ATOM 0 HE ARG A 14 24.380 24.544 29.829 1.00 0.00 H new ATOM 0 HH11 ARG A 14 26.530 27.306 30.441 1.00 0.00 H new ATOM 0 HH12 ARG A 14 26.743 27.595 28.712 1.00 0.00 H new ATOM 0 HH21 ARG A 14 24.771 24.931 27.706 1.00 0.00 H new ATOM 0 HH22 ARG A 14 25.781 26.295 27.216 1.00 0.00 H new ATOM 209 N HIS A 15 25.890 26.464 36.246 1.00 0.00 N ATOM 210 CA HIS A 15 25.702 26.400 37.707 1.00 0.00 C ATOM 211 C HIS A 15 24.218 26.214 38.095 1.00 0.00 C ATOM 212 O HIS A 15 23.329 26.859 37.530 1.00 0.00 O ATOM 213 CB HIS A 15 26.322 27.620 38.425 1.00 0.00 C ATOM 214 CG HIS A 15 26.019 28.966 37.813 1.00 0.00 C ATOM 215 ND1 HIS A 15 24.977 29.814 38.193 1.00 0.00 N ATOM 216 CD2 HIS A 15 26.740 29.571 36.825 1.00 0.00 C ATOM 217 CE1 HIS A 15 25.082 30.895 37.405 1.00 0.00 C ATOM 218 NE2 HIS A 15 26.129 30.778 36.569 1.00 0.00 N ATOM 0 H HIS A 15 25.001 26.500 35.748 1.00 0.00 H new ATOM 0 HA HIS A 15 26.238 25.515 38.049 1.00 0.00 H new ATOM 0 HB2 HIS A 15 25.974 27.625 39.458 1.00 0.00 H new ATOM 0 HB3 HIS A 15 27.404 27.490 38.453 1.00 0.00 H new ATOM 0 HD2 HIS A 15 27.620 29.179 36.338 1.00 0.00 H new ATOM 0 HE1 HIS A 15 24.416 31.744 37.438 1.00 0.00 H new ATOM 0 HE2 HIS A 15 26.419 31.462 35.870 1.00 0.00 H new ATOM 226 N SER A 16 23.942 25.348 39.074 1.00 0.00 N ATOM 227 CA SER A 16 22.588 25.146 39.610 1.00 0.00 C ATOM 228 C SER A 16 22.104 26.359 40.423 1.00 0.00 C ATOM 229 O SER A 16 22.902 27.147 40.934 1.00 0.00 O ATOM 230 CB SER A 16 22.533 23.908 40.520 1.00 0.00 C ATOM 231 OG SER A 16 23.044 22.730 39.918 1.00 0.00 O ATOM 0 H SER A 16 24.650 24.765 39.520 1.00 0.00 H new ATOM 0 HA SER A 16 21.937 25.008 38.747 1.00 0.00 H new ATOM 0 HB2 SER A 16 23.096 24.113 41.430 1.00 0.00 H new ATOM 0 HB3 SER A 16 21.499 23.733 40.817 1.00 0.00 H new ATOM 0 HG SER A 16 22.980 21.985 40.551 1.00 0.00 H new ATOM 237 N ASN A 17 20.788 26.506 40.607 1.00 0.00 N ATOM 238 CA ASN A 17 20.212 27.662 41.302 1.00 0.00 C ATOM 239 C ASN A 17 20.523 27.717 42.816 1.00 0.00 C ATOM 240 O ASN A 17 20.475 28.784 43.424 1.00 0.00 O ATOM 241 CB ASN A 17 18.706 27.696 41.024 1.00 0.00 C ATOM 242 CG ASN A 17 18.145 29.077 41.303 1.00 0.00 C ATOM 243 OD1 ASN A 17 17.471 29.310 42.304 1.00 0.00 O ATOM 244 ND2 ASN A 17 18.450 30.025 40.440 1.00 0.00 N ATOM 0 H ASN A 17 20.096 25.832 40.281 1.00 0.00 H new ATOM 0 HA ASN A 17 20.690 28.558 40.905 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.516 27.423 39.986 1.00 0.00 H new ATOM 0 HB3 ASN A 17 18.199 26.959 41.646 1.00 0.00 H new ATOM 0 HD21 ASN A 17 18.125 30.979 40.595 1.00 0.00 H new ATOM 0 HD22 ASN A 17 19.011 29.804 39.617 1.00 0.00 H new ATOM 251 N SER A 18 20.889 26.588 43.425 1.00 0.00 N ATOM 252 CA SER A 18 21.357 26.482 44.821 1.00 0.00 C ATOM 253 C SER A 18 22.832 26.902 45.017 1.00 0.00 C ATOM 254 O SER A 18 23.345 26.836 46.139 1.00 0.00 O ATOM 255 CB SER A 18 21.191 25.033 45.310 1.00 0.00 C ATOM 256 OG SER A 18 19.867 24.556 45.130 1.00 0.00 O ATOM 0 H SER A 18 20.869 25.686 42.949 1.00 0.00 H new ATOM 0 HA SER A 18 20.745 27.174 45.400 1.00 0.00 H new ATOM 0 HB2 SER A 18 21.885 24.388 44.771 1.00 0.00 H new ATOM 0 HB3 SER A 18 21.456 24.975 46.366 1.00 0.00 H new ATOM 0 HG SER A 18 19.805 23.632 45.452 1.00 0.00 H new ATOM 262 N LYS A 19 23.527 27.289 43.939 1.00 0.00 N ATOM 263 CA LYS A 19 24.970 27.559 43.877 1.00 0.00 C ATOM 264 C LYS A 19 25.303 28.853 43.101 1.00 0.00 C ATOM 265 O LYS A 19 24.450 29.449 42.443 1.00 0.00 O ATOM 266 CB LYS A 19 25.653 26.335 43.220 1.00 0.00 C ATOM 267 CG LYS A 19 25.874 25.148 44.174 1.00 0.00 C ATOM 268 CD LYS A 19 27.047 25.417 45.125 1.00 0.00 C ATOM 269 CE LYS A 19 27.291 24.256 46.089 1.00 0.00 C ATOM 270 NZ LYS A 19 28.497 24.505 46.912 1.00 0.00 N ATOM 0 H LYS A 19 23.072 27.430 43.037 1.00 0.00 H new ATOM 0 HA LYS A 19 25.342 27.716 44.889 1.00 0.00 H new ATOM 0 HB2 LYS A 19 25.045 26.002 42.379 1.00 0.00 H new ATOM 0 HB3 LYS A 19 26.616 26.645 42.814 1.00 0.00 H new ATOM 0 HG2 LYS A 19 24.967 24.967 44.751 1.00 0.00 H new ATOM 0 HG3 LYS A 19 26.069 24.244 43.597 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.950 25.598 44.542 1.00 0.00 H new ATOM 0 HD3 LYS A 19 26.848 26.324 45.695 1.00 0.00 H new ATOM 0 HE2 LYS A 19 26.424 24.125 46.736 1.00 0.00 H new ATOM 0 HE3 LYS A 19 27.412 23.330 45.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 28.646 23.706 47.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 29.326 24.607 46.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 28.367 25.378 47.463 1.00 0.00 H new ATOM 284 N ASN A 20 26.569 29.281 43.177 1.00 0.00 N ATOM 285 CA ASN A 20 27.113 30.461 42.488 1.00 0.00 C ATOM 286 C ASN A 20 28.440 30.173 41.746 1.00 0.00 C ATOM 287 O ASN A 20 28.717 30.815 40.732 1.00 0.00 O ATOM 288 CB ASN A 20 27.316 31.576 43.532 1.00 0.00 C ATOM 289 CG ASN A 20 25.998 32.202 43.981 1.00 0.00 C ATOM 290 OD1 ASN A 20 25.307 31.700 44.865 1.00 0.00 O ATOM 291 ND2 ASN A 20 25.604 33.307 43.377 1.00 0.00 N ATOM 0 H ASN A 20 27.269 28.799 43.740 1.00 0.00 H new ATOM 0 HA ASN A 20 26.401 30.766 41.721 1.00 0.00 H new ATOM 0 HB2 ASN A 20 27.835 31.167 44.399 1.00 0.00 H new ATOM 0 HB3 ASN A 20 27.958 32.350 43.112 1.00 0.00 H new ATOM 0 HD21 ASN A 20 24.723 33.748 43.643 1.00 0.00 H new ATOM 0 HD22 ASN A 20 26.180 33.721 42.644 1.00 0.00 H new ATOM 298 N LEU A 21 29.251 29.223 42.233 1.00 0.00 N ATOM 299 CA LEU A 21 30.531 28.786 41.652 1.00 0.00 C ATOM 300 C LEU A 21 30.275 27.849 40.447 1.00 0.00 C ATOM 301 O LEU A 21 29.511 26.890 40.608 1.00 0.00 O ATOM 302 CB LEU A 21 31.319 28.094 42.788 1.00 0.00 C ATOM 303 CG LEU A 21 32.825 27.800 42.621 1.00 0.00 C ATOM 304 CD1 LEU A 21 33.164 26.787 41.521 1.00 0.00 C ATOM 305 CD2 LEU A 21 33.661 29.080 42.481 1.00 0.00 C ATOM 0 H LEU A 21 29.022 28.712 43.086 1.00 0.00 H new ATOM 0 HA LEU A 21 31.112 29.622 41.264 1.00 0.00 H new ATOM 0 HB2 LEU A 21 31.207 28.710 43.681 1.00 0.00 H new ATOM 0 HB3 LEU A 21 30.825 27.144 42.992 1.00 0.00 H new ATOM 0 HG LEU A 21 33.105 27.315 43.556 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.244 26.644 41.478 1.00 0.00 H new ATOM 0 HD12 LEU A 21 32.681 25.835 41.742 1.00 0.00 H new ATOM 0 HD13 LEU A 21 32.809 27.160 40.561 1.00 0.00 H new ATOM 0 HD21 LEU A 21 34.713 28.817 42.366 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.329 29.638 41.605 1.00 0.00 H new ATOM 0 HD23 LEU A 21 33.536 29.695 43.372 1.00 0.00 H new ATOM 317 N PRO A 22 30.873 28.105 39.263 1.00 0.00 N ATOM 318 CA PRO A 22 30.538 27.401 38.031 1.00 0.00 C ATOM 319 C PRO A 22 31.201 26.025 37.874 1.00 0.00 C ATOM 320 O PRO A 22 32.254 25.732 38.443 1.00 0.00 O ATOM 321 CB PRO A 22 30.954 28.344 36.895 1.00 0.00 C ATOM 322 CG PRO A 22 32.160 29.063 37.494 1.00 0.00 C ATOM 323 CD PRO A 22 31.754 29.225 38.959 1.00 0.00 C ATOM 0 HA PRO A 22 29.473 27.171 38.029 1.00 0.00 H new ATOM 0 HB2 PRO A 22 31.215 27.798 35.988 1.00 0.00 H new ATOM 0 HB3 PRO A 22 30.157 29.038 36.630 1.00 0.00 H new ATOM 0 HG2 PRO A 22 33.074 28.479 37.388 1.00 0.00 H new ATOM 0 HG3 PRO A 22 32.339 30.025 37.014 1.00 0.00 H new ATOM 0 HD2 PRO A 22 32.629 29.219 39.608 1.00 0.00 H new ATOM 0 HD3 PRO A 22 31.245 30.175 39.119 1.00 0.00 H new ATOM 331 N TYR A 23 30.590 25.214 37.011 1.00 0.00 N ATOM 332 CA TYR A 23 31.220 24.117 36.272 1.00 0.00 C ATOM 333 C TYR A 23 31.160 24.404 34.758 1.00 0.00 C ATOM 334 O TYR A 23 30.273 25.112 34.282 1.00 0.00 O ATOM 335 CB TYR A 23 30.549 22.779 36.629 1.00 0.00 C ATOM 336 CG TYR A 23 29.144 22.569 36.080 1.00 0.00 C ATOM 337 CD1 TYR A 23 28.022 23.099 36.750 1.00 0.00 C ATOM 338 CD2 TYR A 23 28.956 21.829 34.895 1.00 0.00 C ATOM 339 CE1 TYR A 23 26.723 22.894 36.241 1.00 0.00 C ATOM 340 CE2 TYR A 23 27.663 21.622 34.379 1.00 0.00 C ATOM 341 CZ TYR A 23 26.541 22.145 35.057 1.00 0.00 C ATOM 342 OH TYR A 23 25.296 21.964 34.539 1.00 0.00 O ATOM 0 H TYR A 23 29.597 25.307 36.797 1.00 0.00 H new ATOM 0 HA TYR A 23 32.269 24.041 36.557 1.00 0.00 H new ATOM 0 HB2 TYR A 23 31.183 21.969 36.268 1.00 0.00 H new ATOM 0 HB3 TYR A 23 30.510 22.693 37.715 1.00 0.00 H new ATOM 0 HD1 TYR A 23 28.159 23.666 37.659 1.00 0.00 H new ATOM 0 HD2 TYR A 23 29.811 21.418 34.379 1.00 0.00 H new ATOM 0 HE1 TYR A 23 25.869 23.309 36.755 1.00 0.00 H new ATOM 0 HE2 TYR A 23 27.529 21.063 33.465 1.00 0.00 H new ATOM 0 HH TYR A 23 25.357 21.425 33.722 1.00 0.00 H new ATOM 352 N TYR A 24 32.099 23.860 33.986 1.00 0.00 N ATOM 353 CA TYR A 24 32.269 24.160 32.560 1.00 0.00 C ATOM 354 C TYR A 24 31.885 22.929 31.706 1.00 0.00 C ATOM 355 O TYR A 24 32.525 21.877 31.752 1.00 0.00 O ATOM 356 CB TYR A 24 33.722 24.609 32.328 1.00 0.00 C ATOM 357 CG TYR A 24 34.218 25.665 33.306 1.00 0.00 C ATOM 358 CD1 TYR A 24 33.654 26.953 33.275 1.00 0.00 C ATOM 359 CD2 TYR A 24 35.206 25.363 34.267 1.00 0.00 C ATOM 360 CE1 TYR A 24 34.080 27.941 34.182 1.00 0.00 C ATOM 361 CE2 TYR A 24 35.628 26.342 35.191 1.00 0.00 C ATOM 362 CZ TYR A 24 35.068 27.641 35.147 1.00 0.00 C ATOM 363 OH TYR A 24 35.466 28.606 36.025 1.00 0.00 O ATOM 0 H TYR A 24 32.778 23.185 34.338 1.00 0.00 H new ATOM 0 HA TYR A 24 31.606 24.969 32.253 1.00 0.00 H new ATOM 0 HB2 TYR A 24 34.373 23.737 32.392 1.00 0.00 H new ATOM 0 HB3 TYR A 24 33.811 25.000 31.314 1.00 0.00 H new ATOM 0 HD1 TYR A 24 32.888 27.186 32.550 1.00 0.00 H new ATOM 0 HD2 TYR A 24 35.642 24.375 34.295 1.00 0.00 H new ATOM 0 HE1 TYR A 24 33.651 28.931 34.141 1.00 0.00 H new ATOM 0 HE2 TYR A 24 36.377 26.101 35.931 1.00 0.00 H new ATOM 0 HH TYR A 24 36.150 28.241 36.624 1.00 0.00 H new ATOM 373 N PHE A 25 30.795 23.031 30.950 1.00 0.00 N ATOM 374 CA PHE A 25 30.152 21.942 30.214 1.00 0.00 C ATOM 375 C PHE A 25 30.858 21.617 28.887 1.00 0.00 C ATOM 376 O PHE A 25 31.196 22.517 28.114 1.00 0.00 O ATOM 377 CB PHE A 25 28.685 22.345 30.000 1.00 0.00 C ATOM 378 CG PHE A 25 27.832 21.325 29.273 1.00 0.00 C ATOM 379 CD1 PHE A 25 27.244 20.266 29.990 1.00 0.00 C ATOM 380 CD2 PHE A 25 27.596 21.448 27.889 1.00 0.00 C ATOM 381 CE1 PHE A 25 26.449 19.319 29.322 1.00 0.00 C ATOM 382 CE2 PHE A 25 26.790 20.506 27.227 1.00 0.00 C ATOM 383 CZ PHE A 25 26.238 19.426 27.936 1.00 0.00 C ATOM 0 H PHE A 25 30.310 23.920 30.827 1.00 0.00 H new ATOM 0 HA PHE A 25 30.217 21.020 30.792 1.00 0.00 H new ATOM 0 HB2 PHE A 25 28.235 22.544 30.972 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.660 23.280 29.440 1.00 0.00 H new ATOM 0 HD1 PHE A 25 27.404 20.181 31.055 1.00 0.00 H new ATOM 0 HD2 PHE A 25 28.035 22.266 27.337 1.00 0.00 H new ATOM 0 HE1 PHE A 25 25.999 18.507 29.874 1.00 0.00 H new ATOM 0 HE2 PHE A 25 26.594 20.613 26.170 1.00 0.00 H new ATOM 0 HZ PHE A 25 25.653 18.680 27.418 1.00 0.00 H new ATOM 393 N ASN A 26 31.017 20.319 28.592 1.00 0.00 N ATOM 394 CA ASN A 26 31.506 19.814 27.305 1.00 0.00 C ATOM 395 C ASN A 26 30.315 19.498 26.373 1.00 0.00 C ATOM 396 O ASN A 26 29.621 18.503 26.606 1.00 0.00 O ATOM 397 CB ASN A 26 32.347 18.538 27.513 1.00 0.00 C ATOM 398 CG ASN A 26 33.680 18.787 28.209 1.00 0.00 C ATOM 399 OD1 ASN A 26 33.740 19.174 29.367 1.00 0.00 O ATOM 400 ND2 ASN A 26 34.781 18.575 27.512 1.00 0.00 N ATOM 0 H ASN A 26 30.804 19.576 29.258 1.00 0.00 H new ATOM 0 HA ASN A 26 32.130 20.582 26.848 1.00 0.00 H new ATOM 0 HB2 ASN A 26 31.769 17.825 28.100 1.00 0.00 H new ATOM 0 HB3 ASN A 26 32.534 18.076 26.544 1.00 0.00 H new ATOM 0 HD21 ASN A 26 35.694 18.734 27.939 1.00 0.00 H new ATOM 0 HD22 ASN A 26 34.719 18.252 26.546 1.00 0.00 H new ATOM 407 N PRO A 27 30.072 20.265 25.289 1.00 0.00 N ATOM 408 CA PRO A 27 29.021 19.931 24.330 1.00 0.00 C ATOM 409 C PRO A 27 29.355 18.676 23.513 1.00 0.00 C ATOM 410 O PRO A 27 28.461 17.875 23.245 1.00 0.00 O ATOM 411 CB PRO A 27 28.858 21.173 23.446 1.00 0.00 C ATOM 412 CG PRO A 27 30.218 21.866 23.525 1.00 0.00 C ATOM 413 CD PRO A 27 30.705 21.529 24.934 1.00 0.00 C ATOM 0 HA PRO A 27 28.089 19.683 24.838 1.00 0.00 H new ATOM 0 HB2 PRO A 27 28.607 20.902 22.420 1.00 0.00 H new ATOM 0 HB3 PRO A 27 28.059 21.819 23.810 1.00 0.00 H new ATOM 0 HG2 PRO A 27 30.903 21.494 22.763 1.00 0.00 H new ATOM 0 HG3 PRO A 27 30.130 22.942 23.377 1.00 0.00 H new ATOM 0 HD2 PRO A 27 31.791 21.442 24.960 1.00 0.00 H new ATOM 0 HD3 PRO A 27 30.431 22.314 25.639 1.00 0.00 H new ATOM 421 N ALA A 28 30.626 18.475 23.142 1.00 0.00 N ATOM 422 CA ALA A 28 31.044 17.433 22.196 1.00 0.00 C ATOM 423 C ALA A 28 30.952 15.981 22.705 1.00 0.00 C ATOM 424 O ALA A 28 30.878 15.070 21.881 1.00 0.00 O ATOM 425 CB ALA A 28 32.476 17.763 21.767 1.00 0.00 C ATOM 0 H ALA A 28 31.401 19.037 23.494 1.00 0.00 H new ATOM 0 HA ALA A 28 30.338 17.453 21.366 1.00 0.00 H new ATOM 0 HB1 ALA A 28 32.827 17.010 21.061 1.00 0.00 H new ATOM 0 HB2 ALA A 28 32.497 18.744 21.292 1.00 0.00 H new ATOM 0 HB3 ALA A 28 33.126 17.770 22.642 1.00 0.00 H new ATOM 431 N THR A 29 30.945 15.763 24.028 1.00 0.00 N ATOM 432 CA THR A 29 31.003 14.447 24.697 1.00 0.00 C ATOM 433 C THR A 29 30.335 14.566 26.066 1.00 0.00 C ATOM 434 O THR A 29 30.434 15.626 26.685 1.00 0.00 O ATOM 435 CB THR A 29 32.464 13.995 24.872 1.00 0.00 C ATOM 436 OG1 THR A 29 33.140 14.039 23.638 1.00 0.00 O ATOM 437 CG2 THR A 29 32.577 12.560 25.382 1.00 0.00 C ATOM 0 H THR A 29 30.897 16.533 24.695 1.00 0.00 H new ATOM 0 HA THR A 29 30.485 13.707 24.087 1.00 0.00 H new ATOM 0 HB THR A 29 32.902 14.677 25.600 1.00 0.00 H new ATOM 0 HG1 THR A 29 34.068 13.751 23.763 1.00 0.00 H new ATOM 0 HG21 THR A 29 33.629 12.293 25.487 1.00 0.00 H new ATOM 0 HG22 THR A 29 32.083 12.478 26.350 1.00 0.00 H new ATOM 0 HG23 THR A 29 32.100 11.883 24.673 1.00 0.00 H new ATOM 445 N ARG A 30 29.666 13.514 26.556 1.00 0.00 N ATOM 446 CA ARG A 30 28.973 13.531 27.854 1.00 0.00 C ATOM 447 C ARG A 30 29.962 13.548 29.030 1.00 0.00 C ATOM 448 O ARG A 30 30.312 12.498 29.579 1.00 0.00 O ATOM 449 CB ARG A 30 27.978 12.361 27.981 1.00 0.00 C ATOM 450 CG ARG A 30 26.801 12.458 27.000 1.00 0.00 C ATOM 451 CD ARG A 30 25.839 11.276 27.175 1.00 0.00 C ATOM 452 NE ARG A 30 24.839 11.250 26.099 1.00 0.00 N ATOM 453 CZ ARG A 30 24.012 10.262 25.794 1.00 0.00 C ATOM 454 NH1 ARG A 30 23.926 9.153 26.491 1.00 0.00 N ATOM 455 NH2 ARG A 30 23.234 10.399 24.748 1.00 0.00 N ATOM 0 H ARG A 30 29.589 12.624 26.063 1.00 0.00 H new ATOM 0 HA ARG A 30 28.401 14.458 27.896 1.00 0.00 H new ATOM 0 HB2 ARG A 30 28.507 11.423 27.812 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.592 12.330 29.000 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.266 13.394 27.161 1.00 0.00 H new ATOM 0 HG3 ARG A 30 27.177 12.477 25.977 1.00 0.00 H new ATOM 0 HD2 ARG A 30 26.401 10.342 27.177 1.00 0.00 H new ATOM 0 HD3 ARG A 30 25.338 11.349 28.140 1.00 0.00 H new ATOM 0 HE ARG A 30 24.775 12.088 25.521 1.00 0.00 H new ATOM 0 HH11 ARG A 30 24.515 9.021 27.313 1.00 0.00 H new ATOM 0 HH12 ARG A 30 23.270 8.424 26.210 1.00 0.00 H new ATOM 0 HH21 ARG A 30 23.275 11.252 24.190 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.588 9.652 24.492 1.00 0.00 H new ATOM 469 N GLU A 31 30.387 14.747 29.426 1.00 0.00 N ATOM 470 CA GLU A 31 31.274 15.036 30.558 1.00 0.00 C ATOM 471 C GLU A 31 31.238 16.550 30.878 1.00 0.00 C ATOM 472 O GLU A 31 30.525 17.317 30.224 1.00 0.00 O ATOM 473 CB GLU A 31 32.699 14.500 30.256 1.00 0.00 C ATOM 474 CG GLU A 31 33.694 14.459 31.428 1.00 0.00 C ATOM 475 CD GLU A 31 33.101 13.855 32.700 1.00 0.00 C ATOM 476 OE1 GLU A 31 32.366 14.570 33.420 1.00 0.00 O ATOM 477 OE2 GLU A 31 33.402 12.690 33.043 1.00 0.00 O ATOM 0 H GLU A 31 30.105 15.596 28.937 1.00 0.00 H new ATOM 0 HA GLU A 31 30.931 14.521 31.455 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.603 13.490 29.858 1.00 0.00 H new ATOM 0 HB3 GLU A 31 33.131 15.114 29.466 1.00 0.00 H new ATOM 0 HG2 GLU A 31 34.569 13.881 31.133 1.00 0.00 H new ATOM 0 HG3 GLU A 31 34.037 15.471 31.640 1.00 0.00 H new ATOM 484 N SER A 32 31.971 16.995 31.896 1.00 0.00 N ATOM 485 CA SER A 32 32.206 18.407 32.218 1.00 0.00 C ATOM 486 C SER A 32 33.489 18.619 33.047 1.00 0.00 C ATOM 487 O SER A 32 33.914 17.749 33.819 1.00 0.00 O ATOM 488 CB SER A 32 30.970 19.044 32.877 1.00 0.00 C ATOM 489 OG SER A 32 30.481 18.300 33.979 1.00 0.00 O ATOM 0 H SER A 32 32.436 16.361 32.546 1.00 0.00 H new ATOM 0 HA SER A 32 32.372 18.927 31.274 1.00 0.00 H new ATOM 0 HB2 SER A 32 31.222 20.051 33.209 1.00 0.00 H new ATOM 0 HB3 SER A 32 30.179 19.142 32.133 1.00 0.00 H new ATOM 0 HG SER A 32 29.698 18.752 34.358 1.00 0.00 H new ATOM 495 N ARG A 33 34.106 19.791 32.858 1.00 0.00 N ATOM 496 CA ARG A 33 35.369 20.243 33.449 1.00 0.00 C ATOM 497 C ARG A 33 35.080 21.202 34.618 1.00 0.00 C ATOM 498 O ARG A 33 34.236 22.086 34.517 1.00 0.00 O ATOM 499 CB ARG A 33 36.166 20.939 32.325 1.00 0.00 C ATOM 500 CG ARG A 33 37.672 21.139 32.576 1.00 0.00 C ATOM 501 CD ARG A 33 38.528 19.860 32.621 1.00 0.00 C ATOM 502 NE ARG A 33 38.208 18.904 31.539 1.00 0.00 N ATOM 503 CZ ARG A 33 37.969 17.599 31.641 1.00 0.00 C ATOM 504 NH1 ARG A 33 38.018 16.931 32.772 1.00 0.00 N ATOM 505 NH2 ARG A 33 37.668 16.912 30.565 1.00 0.00 N ATOM 0 H ARG A 33 33.706 20.499 32.243 1.00 0.00 H new ATOM 0 HA ARG A 33 35.948 19.412 33.853 1.00 0.00 H new ATOM 0 HB2 ARG A 33 36.046 20.357 31.411 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.717 21.916 32.143 1.00 0.00 H new ATOM 0 HG2 ARG A 33 38.067 21.788 31.794 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.795 21.667 33.521 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.581 20.133 32.555 1.00 0.00 H new ATOM 0 HD3 ARG A 33 38.386 19.369 33.584 1.00 0.00 H new ATOM 0 HE ARG A 33 38.165 19.293 30.597 1.00 0.00 H new ATOM 0 HH11 ARG A 33 38.250 17.414 33.640 1.00 0.00 H new ATOM 0 HH12 ARG A 33 37.824 15.930 32.782 1.00 0.00 H new ATOM 0 HH21 ARG A 33 37.619 17.379 29.659 1.00 0.00 H new ATOM 0 HH22 ARG A 33 37.483 15.911 30.634 1.00 0.00 H new ATOM 519 N TRP A 34 35.775 21.040 35.741 1.00 0.00 N ATOM 520 CA TRP A 34 35.432 21.688 37.025 1.00 0.00 C ATOM 521 C TRP A 34 36.313 22.909 37.352 1.00 0.00 C ATOM 522 O TRP A 34 35.907 23.842 38.044 1.00 0.00 O ATOM 523 CB TRP A 34 35.573 20.636 38.150 1.00 0.00 C ATOM 524 CG TRP A 34 35.678 19.201 37.729 1.00 0.00 C ATOM 525 CD1 TRP A 34 34.695 18.282 37.824 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.810 18.516 37.102 1.00 0.00 C ATOM 527 NE1 TRP A 34 35.122 17.097 37.263 1.00 0.00 N ATOM 528 CE2 TRP A 34 36.414 17.181 36.795 1.00 0.00 C ATOM 529 CE3 TRP A 34 38.115 18.901 36.725 1.00 0.00 C ATOM 530 CZ2 TRP A 34 37.265 16.277 36.143 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.989 17.989 36.105 1.00 0.00 C ATOM 532 CH2 TRP A 34 38.568 16.683 35.813 1.00 0.00 C ATOM 0 H TRP A 34 36.605 20.449 35.796 1.00 0.00 H new ATOM 0 HA TRP A 34 34.411 22.060 36.944 1.00 0.00 H new ATOM 0 HB2 TRP A 34 36.458 20.883 38.736 1.00 0.00 H new ATOM 0 HB3 TRP A 34 34.714 20.733 38.814 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.725 18.448 38.270 1.00 0.00 H new ATOM 0 HE1 TRP A 34 34.548 16.256 37.202 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.447 19.911 36.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 36.923 15.282 35.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.993 18.297 35.852 1.00 0.00 H new ATOM 0 HH2 TRP A 34 39.245 15.991 35.335 1.00 0.00 H new ATOM 543 N GLU A 35 37.558 22.863 36.884 1.00 0.00 N ATOM 544 CA GLU A 35 38.697 23.666 37.333 1.00 0.00 C ATOM 545 C GLU A 35 39.626 23.894 36.127 1.00 0.00 C ATOM 546 O GLU A 35 39.563 23.101 35.177 1.00 0.00 O ATOM 547 CB GLU A 35 39.426 22.907 38.464 1.00 0.00 C ATOM 548 CG GLU A 35 38.625 22.939 39.772 1.00 0.00 C ATOM 549 CD GLU A 35 39.245 22.107 40.885 1.00 0.00 C ATOM 550 OE1 GLU A 35 39.084 20.865 40.879 1.00 0.00 O ATOM 551 OE2 GLU A 35 39.858 22.690 41.806 1.00 0.00 O ATOM 0 H GLU A 35 37.817 22.223 36.133 1.00 0.00 H new ATOM 0 HA GLU A 35 38.375 24.632 37.721 1.00 0.00 H new ATOM 0 HB2 GLU A 35 39.590 21.873 38.162 1.00 0.00 H new ATOM 0 HB3 GLU A 35 40.408 23.351 38.627 1.00 0.00 H new ATOM 0 HG2 GLU A 35 38.535 23.972 40.108 1.00 0.00 H new ATOM 0 HG3 GLU A 35 37.615 22.578 39.579 1.00 0.00 H new ATOM 558 N PRO A 36 40.467 24.948 36.118 1.00 0.00 N ATOM 559 CA PRO A 36 41.275 25.287 34.953 1.00 0.00 C ATOM 560 C PRO A 36 42.339 24.204 34.695 1.00 0.00 C ATOM 561 O PRO A 36 43.175 23.957 35.569 1.00 0.00 O ATOM 562 CB PRO A 36 41.895 26.655 35.254 1.00 0.00 C ATOM 563 CG PRO A 36 41.922 26.707 36.780 1.00 0.00 C ATOM 564 CD PRO A 36 40.661 25.937 37.171 1.00 0.00 C ATOM 0 HA PRO A 36 40.679 25.334 34.042 1.00 0.00 H new ATOM 0 HB2 PRO A 36 42.896 26.744 34.832 1.00 0.00 H new ATOM 0 HB3 PRO A 36 41.300 27.466 34.835 1.00 0.00 H new ATOM 0 HG2 PRO A 36 42.821 26.242 37.184 1.00 0.00 H new ATOM 0 HG3 PRO A 36 41.900 27.732 37.150 1.00 0.00 H new ATOM 0 HD2 PRO A 36 40.779 25.458 38.143 1.00 0.00 H new ATOM 0 HD3 PRO A 36 39.802 26.603 37.247 1.00 0.00 H new ATOM 572 N PRO A 37 42.337 23.558 33.512 1.00 0.00 N ATOM 573 CA PRO A 37 43.378 22.615 33.124 1.00 0.00 C ATOM 574 C PRO A 37 44.640 23.357 32.661 1.00 0.00 C ATOM 575 O PRO A 37 44.617 24.565 32.427 1.00 0.00 O ATOM 576 CB PRO A 37 42.753 21.776 32.007 1.00 0.00 C ATOM 577 CG PRO A 37 41.697 22.666 31.376 1.00 0.00 C ATOM 578 CD PRO A 37 41.324 23.664 32.467 1.00 0.00 C ATOM 0 HA PRO A 37 43.704 21.985 33.952 1.00 0.00 H new ATOM 0 HB2 PRO A 37 43.503 21.476 31.275 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.311 20.862 32.403 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.084 23.173 30.492 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.831 22.086 31.057 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.289 24.677 32.066 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.334 23.445 32.867 1.00 0.00 H new ATOM 586 N ALA A 38 45.742 22.629 32.468 1.00 0.00 N ATOM 587 CA ALA A 38 46.904 23.131 31.726 1.00 0.00 C ATOM 588 C ALA A 38 46.627 23.205 30.213 1.00 0.00 C ATOM 589 O ALA A 38 47.164 24.068 29.517 1.00 0.00 O ATOM 590 CB ALA A 38 48.093 22.214 32.020 1.00 0.00 C ATOM 0 H ALA A 38 45.855 21.678 32.820 1.00 0.00 H new ATOM 0 HA ALA A 38 47.126 24.148 32.050 1.00 0.00 H new ATOM 0 HB1 ALA A 38 48.969 22.569 31.478 1.00 0.00 H new ATOM 0 HB2 ALA A 38 48.301 22.220 33.090 1.00 0.00 H new ATOM 0 HB3 ALA A 38 47.857 21.199 31.702 1.00 0.00 H new ATOM 596 N ASP A 39 45.733 22.347 29.715 1.00 0.00 N ATOM 597 CA ASP A 39 45.281 22.226 28.318 1.00 0.00 C ATOM 598 C ASP A 39 44.506 23.457 27.780 1.00 0.00 C ATOM 599 O ASP A 39 44.048 23.462 26.638 1.00 0.00 O ATOM 600 CB ASP A 39 44.414 20.953 28.240 1.00 0.00 C ATOM 601 CG ASP A 39 44.402 20.323 26.848 1.00 0.00 C ATOM 602 OD1 ASP A 39 43.552 20.687 26.007 1.00 0.00 O ATOM 603 OD2 ASP A 39 45.255 19.448 26.583 1.00 0.00 O ATOM 0 H ASP A 39 45.270 21.667 30.318 1.00 0.00 H new ATOM 0 HA ASP A 39 46.160 22.167 27.677 1.00 0.00 H new ATOM 0 HB2 ASP A 39 44.784 20.223 28.960 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.392 21.197 28.531 1.00 0.00 H new ATOM 608 N THR A 40 44.322 24.485 28.614 1.00 0.00 N ATOM 609 CA THR A 40 43.457 25.654 28.390 1.00 0.00 C ATOM 610 C THR A 40 44.161 26.807 27.664 1.00 0.00 C ATOM 611 O THR A 40 45.370 26.771 27.456 1.00 0.00 O ATOM 612 CB THR A 40 42.874 26.014 29.754 1.00 0.00 C ATOM 613 OG1 THR A 40 41.626 26.599 29.602 1.00 0.00 O ATOM 614 CG2 THR A 40 43.729 26.931 30.613 1.00 0.00 C ATOM 0 H THR A 40 44.798 24.529 29.515 1.00 0.00 H new ATOM 0 HA THR A 40 42.650 25.420 27.696 1.00 0.00 H new ATOM 0 HB THR A 40 42.820 25.062 30.282 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.721 27.457 29.137 1.00 0.00 H new ATOM 0 HG21 THR A 40 43.221 27.122 31.558 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.691 26.456 30.807 1.00 0.00 H new ATOM 0 HG23 THR A 40 43.889 27.874 30.090 1.00 0.00 H new ATOM 622 N ASP A 41 43.425 27.852 27.285 1.00 0.00 N ATOM 623 CA ASP A 41 43.847 28.980 26.438 1.00 0.00 C ATOM 624 C ASP A 41 44.024 30.267 27.271 1.00 0.00 C ATOM 625 O ASP A 41 43.499 31.335 26.961 1.00 0.00 O ATOM 626 CB ASP A 41 42.834 29.139 25.283 1.00 0.00 C ATOM 627 CG ASP A 41 43.254 28.375 24.029 1.00 0.00 C ATOM 628 OD1 ASP A 41 44.320 28.697 23.460 1.00 0.00 O ATOM 629 OD2 ASP A 41 42.507 27.472 23.581 1.00 0.00 O ATOM 0 H ASP A 41 42.452 27.944 27.578 1.00 0.00 H new ATOM 0 HA ASP A 41 44.826 28.778 26.004 1.00 0.00 H new ATOM 0 HB2 ASP A 41 41.856 28.785 25.610 1.00 0.00 H new ATOM 0 HB3 ASP A 41 42.726 30.196 25.041 1.00 0.00 H new ATOM 634 N MET A 42 44.743 30.131 28.386 1.00 0.00 N ATOM 635 CA MET A 42 45.083 31.165 29.365 1.00 0.00 C ATOM 636 C MET A 42 45.212 32.613 28.872 1.00 0.00 C ATOM 637 O MET A 42 44.630 33.453 29.547 1.00 0.00 O ATOM 638 CB MET A 42 46.300 30.749 30.197 1.00 0.00 C ATOM 639 CG MET A 42 45.924 29.597 31.136 1.00 0.00 C ATOM 640 SD MET A 42 47.080 29.337 32.506 1.00 0.00 S ATOM 641 CE MET A 42 48.471 28.675 31.558 1.00 0.00 C ATOM 0 H MET A 42 45.133 29.226 28.648 1.00 0.00 H new ATOM 0 HA MET A 42 44.187 31.213 29.984 1.00 0.00 H new ATOM 0 HB2 MET A 42 47.113 30.442 29.539 1.00 0.00 H new ATOM 0 HB3 MET A 42 46.662 31.598 30.777 1.00 0.00 H new ATOM 0 HG2 MET A 42 44.932 29.788 31.546 1.00 0.00 H new ATOM 0 HG3 MET A 42 45.857 28.678 30.554 1.00 0.00 H new ATOM 0 HE1 MET A 42 49.296 28.449 32.233 1.00 0.00 H new ATOM 0 HE2 MET A 42 48.161 27.764 31.045 1.00 0.00 H new ATOM 0 HE3 MET A 42 48.795 29.413 30.824 1.00 0.00 H new ATOM 651 N GLU A 43 45.843 32.946 27.735 1.00 0.00 N ATOM 652 CA GLU A 43 45.848 34.333 27.212 1.00 0.00 C ATOM 653 C GLU A 43 44.429 34.939 27.173 1.00 0.00 C ATOM 654 O GLU A 43 44.200 36.052 27.660 1.00 0.00 O ATOM 655 CB GLU A 43 46.468 34.370 25.801 1.00 0.00 C ATOM 656 CG GLU A 43 46.540 35.790 25.205 1.00 0.00 C ATOM 657 CD GLU A 43 46.935 35.792 23.731 1.00 0.00 C ATOM 658 OE1 GLU A 43 47.893 35.089 23.336 1.00 0.00 O ATOM 659 OE2 GLU A 43 46.316 36.520 22.919 1.00 0.00 O ATOM 0 H GLU A 43 46.357 32.280 27.157 1.00 0.00 H new ATOM 0 HA GLU A 43 46.451 34.934 27.893 1.00 0.00 H new ATOM 0 HB2 GLU A 43 47.473 33.949 25.842 1.00 0.00 H new ATOM 0 HB3 GLU A 43 45.882 33.734 25.137 1.00 0.00 H new ATOM 0 HG2 GLU A 43 45.571 36.276 25.318 1.00 0.00 H new ATOM 0 HG3 GLU A 43 47.261 36.381 25.771 1.00 0.00 H new ATOM 666 N THR A 44 43.474 34.171 26.641 1.00 0.00 N ATOM 667 CA THR A 44 42.054 34.515 26.529 1.00 0.00 C ATOM 668 C THR A 44 41.324 34.347 27.863 1.00 0.00 C ATOM 669 O THR A 44 40.304 34.999 28.077 1.00 0.00 O ATOM 670 CB THR A 44 41.432 33.655 25.418 1.00 0.00 C ATOM 671 OG1 THR A 44 42.195 33.828 24.245 1.00 0.00 O ATOM 672 CG2 THR A 44 39.990 34.039 25.080 1.00 0.00 C ATOM 0 H THR A 44 43.680 33.248 26.258 1.00 0.00 H new ATOM 0 HA THR A 44 41.953 35.568 26.267 1.00 0.00 H new ATOM 0 HB THR A 44 41.428 32.627 25.781 1.00 0.00 H new ATOM 0 HG1 THR A 44 41.814 33.285 23.524 1.00 0.00 H new ATOM 0 HG21 THR A 44 39.617 33.390 24.288 1.00 0.00 H new ATOM 0 HG22 THR A 44 39.366 33.926 25.966 1.00 0.00 H new ATOM 0 HG23 THR A 44 39.959 35.076 24.744 1.00 0.00 H new ATOM 680 N LEU A 45 41.835 33.538 28.805 1.00 0.00 N ATOM 681 CA LEU A 45 41.262 33.484 30.155 1.00 0.00 C ATOM 682 C LEU A 45 41.749 34.591 31.052 1.00 0.00 C ATOM 683 O LEU A 45 41.058 34.883 32.020 1.00 0.00 O ATOM 684 CB LEU A 45 41.562 32.189 30.907 1.00 0.00 C ATOM 685 CG LEU A 45 40.763 31.005 30.402 1.00 0.00 C ATOM 686 CD1 LEU A 45 41.318 29.728 31.046 1.00 0.00 C ATOM 687 CD2 LEU A 45 39.252 31.020 30.593 1.00 0.00 C ATOM 0 H LEU A 45 42.633 32.921 28.658 1.00 0.00 H new ATOM 0 HA LEU A 45 40.194 33.573 29.958 1.00 0.00 H new ATOM 0 HB2 LEU A 45 42.625 31.965 30.821 1.00 0.00 H new ATOM 0 HB3 LEU A 45 41.352 32.335 31.967 1.00 0.00 H new ATOM 0 HG LEU A 45 40.890 31.056 29.321 1.00 0.00 H new ATOM 0 HD11 LEU A 45 40.752 28.866 30.692 1.00 0.00 H new ATOM 0 HD12 LEU A 45 42.367 29.610 30.774 1.00 0.00 H new ATOM 0 HD13 LEU A 45 41.230 29.799 32.130 1.00 0.00 H new ATOM 0 HD21 LEU A 45 38.824 30.106 30.180 1.00 0.00 H new ATOM 0 HD22 LEU A 45 39.020 31.081 31.656 1.00 0.00 H new ATOM 0 HD23 LEU A 45 38.829 31.883 30.079 1.00 0.00 H new ATOM 699 N LYS A 46 42.885 35.234 30.798 1.00 0.00 N ATOM 700 CA LYS A 46 43.265 36.339 31.668 1.00 0.00 C ATOM 701 C LYS A 46 42.327 37.563 31.472 1.00 0.00 C ATOM 702 O LYS A 46 42.333 38.490 32.280 1.00 0.00 O ATOM 703 CB LYS A 46 44.757 36.695 31.498 1.00 0.00 C ATOM 704 CG LYS A 46 45.726 36.041 32.503 1.00 0.00 C ATOM 705 CD LYS A 46 46.139 34.594 32.189 1.00 0.00 C ATOM 706 CE LYS A 46 45.152 33.529 32.695 1.00 0.00 C ATOM 707 NZ LYS A 46 45.521 33.037 34.046 1.00 0.00 N ATOM 0 H LYS A 46 43.530 35.023 30.036 1.00 0.00 H new ATOM 0 HA LYS A 46 43.138 36.017 32.702 1.00 0.00 H new ATOM 0 HB2 LYS A 46 45.065 36.414 30.491 1.00 0.00 H new ATOM 0 HB3 LYS A 46 44.863 37.777 31.573 1.00 0.00 H new ATOM 0 HG2 LYS A 46 46.627 36.652 32.560 1.00 0.00 H new ATOM 0 HG3 LYS A 46 45.264 36.061 33.490 1.00 0.00 H new ATOM 0 HD2 LYS A 46 46.249 34.486 31.110 1.00 0.00 H new ATOM 0 HD3 LYS A 46 47.118 34.404 32.630 1.00 0.00 H new ATOM 0 HE2 LYS A 46 44.146 33.949 32.723 1.00 0.00 H new ATOM 0 HE3 LYS A 46 45.129 32.692 31.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 44.833 32.320 34.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 46.471 32.614 34.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 45.518 33.831 34.717 1.00 0.00 H new ATOM 721 N MET A 47 41.480 37.519 30.432 1.00 0.00 N ATOM 722 CA MET A 47 40.329 38.400 30.163 1.00 0.00 C ATOM 723 C MET A 47 39.013 37.887 30.793 1.00 0.00 C ATOM 724 O MET A 47 37.935 38.413 30.509 1.00 0.00 O ATOM 725 CB MET A 47 40.146 38.539 28.635 1.00 0.00 C ATOM 726 CG MET A 47 41.444 38.794 27.855 1.00 0.00 C ATOM 727 SD MET A 47 42.400 40.211 28.443 1.00 0.00 S ATOM 728 CE MET A 47 42.104 41.324 27.049 1.00 0.00 C ATOM 0 H MET A 47 41.588 36.815 29.702 1.00 0.00 H new ATOM 0 HA MET A 47 40.546 39.365 30.622 1.00 0.00 H new ATOM 0 HB2 MET A 47 39.682 37.629 28.254 1.00 0.00 H new ATOM 0 HB3 MET A 47 39.453 39.357 28.438 1.00 0.00 H new ATOM 0 HG2 MET A 47 42.068 37.902 27.910 1.00 0.00 H new ATOM 0 HG3 MET A 47 41.198 38.947 26.804 1.00 0.00 H new ATOM 0 HE1 MET A 47 42.618 42.269 27.223 1.00 0.00 H new ATOM 0 HE2 MET A 47 42.481 40.868 26.133 1.00 0.00 H new ATOM 0 HE3 MET A 47 41.034 41.506 26.950 1.00 0.00 H new ATOM 738 N TYR A 48 39.062 36.810 31.584 1.00 0.00 N ATOM 739 CA TYR A 48 37.911 36.091 32.150 1.00 0.00 C ATOM 740 C TYR A 48 38.093 35.739 33.641 1.00 0.00 C ATOM 741 O TYR A 48 37.312 36.160 34.491 1.00 0.00 O ATOM 742 CB TYR A 48 37.709 34.807 31.330 1.00 0.00 C ATOM 743 CG TYR A 48 36.638 33.922 31.919 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.308 34.373 32.001 1.00 0.00 C ATOM 745 CD2 TYR A 48 37.002 32.679 32.463 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.342 33.589 32.658 1.00 0.00 C ATOM 747 CE2 TYR A 48 36.031 31.876 33.087 1.00 0.00 C ATOM 748 CZ TYR A 48 34.701 32.343 33.218 1.00 0.00 C ATOM 749 OH TYR A 48 33.772 31.610 33.886 1.00 0.00 O ATOM 0 H TYR A 48 39.950 36.393 31.862 1.00 0.00 H new ATOM 0 HA TYR A 48 37.039 36.743 32.096 1.00 0.00 H new ATOM 0 HB2 TYR A 48 37.440 35.069 30.307 1.00 0.00 H new ATOM 0 HB3 TYR A 48 38.648 34.256 31.282 1.00 0.00 H new ATOM 0 HD1 TYR A 48 35.029 35.319 31.561 1.00 0.00 H new ATOM 0 HD2 TYR A 48 38.026 32.341 32.402 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.324 33.941 32.734 1.00 0.00 H new ATOM 0 HE2 TYR A 48 36.300 30.902 33.467 1.00 0.00 H new ATOM 0 HH TYR A 48 32.877 31.957 33.687 1.00 0.00 H new ATOM 759 N MET A 49 39.152 34.990 33.950 1.00 0.00 N ATOM 760 CA MET A 49 39.650 34.640 35.290 1.00 0.00 C ATOM 761 C MET A 49 40.314 35.844 36.004 1.00 0.00 C ATOM 762 O MET A 49 40.671 35.773 37.180 1.00 0.00 O ATOM 763 CB MET A 49 40.602 33.430 35.138 1.00 0.00 C ATOM 764 CG MET A 49 39.903 32.245 34.454 1.00 0.00 C ATOM 765 SD MET A 49 40.652 30.624 34.741 1.00 0.00 S ATOM 766 CE MET A 49 39.869 30.267 36.328 1.00 0.00 C ATOM 0 H MET A 49 39.731 34.579 33.218 1.00 0.00 H new ATOM 0 HA MET A 49 38.817 34.365 35.937 1.00 0.00 H new ATOM 0 HB2 MET A 49 41.475 33.724 34.556 1.00 0.00 H new ATOM 0 HB3 MET A 49 40.962 33.124 36.120 1.00 0.00 H new ATOM 0 HG2 MET A 49 38.868 32.212 34.793 1.00 0.00 H new ATOM 0 HG3 MET A 49 39.881 32.430 33.380 1.00 0.00 H new ATOM 0 HE1 MET A 49 40.202 29.293 36.687 1.00 0.00 H new ATOM 0 HE2 MET A 49 40.145 31.035 37.051 1.00 0.00 H new ATOM 0 HE3 MET A 49 38.786 30.257 36.205 1.00 0.00 H new ATOM 776 N ALA A 50 40.428 36.967 35.291 1.00 0.00 N ATOM 777 CA ALA A 50 40.746 38.320 35.744 1.00 0.00 C ATOM 778 C ALA A 50 40.146 39.321 34.725 1.00 0.00 C ATOM 779 O ALA A 50 39.335 38.926 33.876 1.00 0.00 O ATOM 780 CB ALA A 50 42.272 38.446 35.908 1.00 0.00 C ATOM 0 H ALA A 50 40.285 36.947 34.281 1.00 0.00 H new ATOM 0 HA ALA A 50 40.309 38.543 36.717 1.00 0.00 H new ATOM 0 HB1 ALA A 50 42.520 39.452 36.246 1.00 0.00 H new ATOM 0 HB2 ALA A 50 42.620 37.720 36.643 1.00 0.00 H new ATOM 0 HB3 ALA A 50 42.758 38.255 34.951 1.00 0.00 H new ATOM 786 N THR A 51 40.550 40.596 34.777 1.00 0.00 N ATOM 787 CA THR A 51 40.223 41.617 33.766 1.00 0.00 C ATOM 788 C THR A 51 41.462 42.394 33.347 1.00 0.00 C ATOM 789 O THR A 51 42.510 42.342 33.996 1.00 0.00 O ATOM 790 CB THR A 51 39.110 42.572 34.232 1.00 0.00 C ATOM 791 OG1 THR A 51 39.412 43.093 35.503 1.00 0.00 O ATOM 792 CG2 THR A 51 37.755 41.869 34.312 1.00 0.00 C ATOM 0 H THR A 51 41.125 40.957 35.538 1.00 0.00 H new ATOM 0 HA THR A 51 39.841 41.082 32.896 1.00 0.00 H new ATOM 0 HB THR A 51 39.052 43.373 33.495 1.00 0.00 H new ATOM 0 HG1 THR A 51 38.697 43.700 35.786 1.00 0.00 H new ATOM 0 HG21 THR A 51 36.997 42.578 34.645 1.00 0.00 H new ATOM 0 HG22 THR A 51 37.486 41.485 33.328 1.00 0.00 H new ATOM 0 HG23 THR A 51 37.815 41.043 35.020 1.00 0.00 H new