USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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 12 SER OG : rot -38:sc= 0.652 USER MOD Set 1.2: A 15 GLN : amide:sc= -3.43! C(o=-2.8!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.96!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.168 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00232 K(o=-0.0023,f=-0.71) USER MOD Single : A 19 TYR OH : rot 0:sc= -4.24! USER MOD Single : A 21 ASN : amide:sc= -3.92 K(o=-3.9,f=-12!) USER MOD Single : B 1 PHE N :NH3+ -125:sc= 0.0448 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.958! C(o=-0.96!,f=-4.9!) USER MOD Single : B 4 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -7.33! C(o=-7.3!,f=-9!) USER MOD Single : B 9 SER OG : rot 180:sc= -0.113 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -3.58! C(o=-4.9!,f=-3.6!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 83:sc= -0.577! USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.051 3.455 5.351 1.00 0.00 N ATOM 2 CA GLY A 1 -6.142 2.762 4.334 1.00 0.00 C ATOM 3 C GLY A 1 -5.050 3.538 3.681 1.00 0.00 C ATOM 4 O GLY A 1 -5.042 4.753 3.697 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.754 2.776 5.708 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.478 3.809 6.144 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.540 4.251 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.683 1.909 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.779 2.365 3.544 1.00 0.00 H new ATOM 10 N ILE A 2 -4.100 2.863 3.093 1.00 0.00 N ATOM 11 CA ILE A 2 -2.980 3.583 2.425 1.00 0.00 C ATOM 12 C ILE A 2 -3.515 4.337 1.208 1.00 0.00 C ATOM 13 O ILE A 2 -2.863 5.208 0.668 1.00 0.00 O ATOM 14 CB ILE A 2 -1.908 2.580 1.986 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.565 1.398 1.271 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.154 2.072 3.216 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.162 1.403 -0.202 1.00 0.00 C ATOM 0 H ILE A 2 -4.051 1.845 3.047 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.537 4.293 3.124 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.213 3.072 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.260 0.462 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.649 1.462 1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.391 1.358 2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.680 2.912 3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.853 1.584 3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.631 0.560 -0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.489 2.334 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.078 1.318 -0.283 1.00 0.00 H new ATOM 29 N VAL A 3 -4.703 4.015 0.775 1.00 0.00 N ATOM 30 CA VAL A 3 -5.282 4.719 -0.403 1.00 0.00 C ATOM 31 C VAL A 3 -5.227 6.228 -0.159 1.00 0.00 C ATOM 32 O VAL A 3 -4.725 6.980 -0.970 1.00 0.00 O ATOM 33 CB VAL A 3 -6.735 4.285 -0.597 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.252 4.813 -1.936 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.813 2.757 -0.587 1.00 0.00 C ATOM 0 H VAL A 3 -5.297 3.295 1.186 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.711 4.469 -1.297 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.346 4.687 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.288 4.503 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.195 5.901 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.642 4.411 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.848 2.445 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.202 2.356 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.445 2.380 0.367 1.00 0.00 H new ATOM 45 N GLU A 4 -5.736 6.674 0.956 1.00 0.00 N ATOM 46 CA GLU A 4 -5.707 8.133 1.255 1.00 0.00 C ATOM 47 C GLU A 4 -4.353 8.491 1.867 1.00 0.00 C ATOM 48 O GLU A 4 -3.932 9.630 1.852 1.00 0.00 O ATOM 49 CB GLU A 4 -6.824 8.476 2.240 1.00 0.00 C ATOM 50 CG GLU A 4 -7.886 9.324 1.536 1.00 0.00 C ATOM 51 CD GLU A 4 -9.254 8.659 1.688 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.501 7.688 0.993 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.034 9.131 2.499 1.00 0.00 O ATOM 0 H GLU A 4 -6.170 6.092 1.672 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.855 8.700 0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.273 7.562 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.417 9.019 3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.908 10.327 1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.638 9.433 0.480 1.00 0.00 H new ATOM 60 N GLN A 5 -3.663 7.523 2.399 1.00 0.00 N ATOM 61 CA GLN A 5 -2.333 7.804 3.005 1.00 0.00 C ATOM 62 C GLN A 5 -1.293 7.902 1.891 1.00 0.00 C ATOM 63 O GLN A 5 -0.264 8.532 2.036 1.00 0.00 O ATOM 64 CB GLN A 5 -1.955 6.676 3.967 1.00 0.00 C ATOM 65 CG GLN A 5 -1.249 7.266 5.190 1.00 0.00 C ATOM 66 CD GLN A 5 -0.583 6.143 5.988 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.922 4.987 5.829 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.357 6.437 6.844 1.00 0.00 N ATOM 0 H GLN A 5 -3.962 6.549 2.441 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.371 8.743 3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.848 6.132 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.303 5.960 3.467 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.502 7.995 4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.967 7.795 5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.641 7.408 6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.808 5.696 7.381 1.00 0.00 H new ATOM 77 N CYS A 6 -1.562 7.286 0.775 1.00 0.00 N ATOM 78 CA CYS A 6 -0.604 7.341 -0.363 1.00 0.00 C ATOM 79 C CYS A 6 -1.157 8.276 -1.432 1.00 0.00 C ATOM 80 O CYS A 6 -0.435 9.015 -2.072 1.00 0.00 O ATOM 81 CB CYS A 6 -0.428 5.943 -0.951 1.00 0.00 C ATOM 82 SG CYS A 6 0.942 5.108 -0.116 1.00 0.00 S ATOM 0 H CYS A 6 -2.408 6.744 0.601 1.00 0.00 H new ATOM 0 HA CYS A 6 0.361 7.708 -0.014 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.346 5.368 -0.831 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.230 6.009 -2.021 1.00 0.00 H new ATOM 87 N CYS A 7 -2.439 8.239 -1.625 1.00 0.00 N ATOM 88 CA CYS A 7 -3.075 9.112 -2.648 1.00 0.00 C ATOM 89 C CYS A 7 -3.326 10.496 -2.047 1.00 0.00 C ATOM 90 O CYS A 7 -3.207 11.505 -2.714 1.00 0.00 O ATOM 91 CB CYS A 7 -4.393 8.475 -3.087 1.00 0.00 C ATOM 92 SG CYS A 7 -4.953 9.238 -4.630 1.00 0.00 S ATOM 0 H CYS A 7 -3.083 7.636 -1.114 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.421 9.220 -3.514 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.261 7.402 -3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.147 8.605 -2.311 1.00 0.00 H new ATOM 97 N THR A 8 -3.651 10.555 -0.784 1.00 0.00 N ATOM 98 CA THR A 8 -3.884 11.876 -0.137 1.00 0.00 C ATOM 99 C THR A 8 -2.612 12.268 0.631 1.00 0.00 C ATOM 100 O THR A 8 -2.433 13.405 1.021 1.00 0.00 O ATOM 101 CB THR A 8 -5.109 11.775 0.800 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.182 12.519 0.240 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.795 12.328 2.198 1.00 0.00 C ATOM 0 H THR A 8 -3.765 9.746 -0.173 1.00 0.00 H new ATOM 0 HA THR A 8 -4.096 12.646 -0.879 1.00 0.00 H new ATOM 0 HB THR A 8 -5.377 10.723 0.900 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.964 12.459 0.828 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.678 12.241 2.830 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.976 11.759 2.639 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.507 13.376 2.118 1.00 0.00 H new ATOM 111 N SER A 9 -1.730 11.328 0.841 1.00 0.00 N ATOM 112 CA SER A 9 -0.465 11.627 1.571 1.00 0.00 C ATOM 113 C SER A 9 0.642 10.719 1.029 1.00 0.00 C ATOM 114 O SER A 9 0.682 10.416 -0.147 1.00 0.00 O ATOM 115 CB SER A 9 -0.663 11.367 3.064 1.00 0.00 C ATOM 116 OG SER A 9 0.374 12.010 3.794 1.00 0.00 O ATOM 0 H SER A 9 -1.833 10.360 0.536 1.00 0.00 H new ATOM 0 HA SER A 9 -0.189 12.671 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.635 11.742 3.384 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.653 10.295 3.263 1.00 0.00 H new ATOM 0 HG SER A 9 0.249 11.847 4.752 1.00 0.00 H new ATOM 122 N ILE A 10 1.537 10.272 1.869 1.00 0.00 N ATOM 123 CA ILE A 10 2.623 9.376 1.377 1.00 0.00 C ATOM 124 C ILE A 10 2.778 8.177 2.311 1.00 0.00 C ATOM 125 O ILE A 10 2.499 8.253 3.492 1.00 0.00 O ATOM 126 CB ILE A 10 3.952 10.131 1.333 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.785 11.464 0.628 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.977 9.314 0.579 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.724 12.557 1.682 1.00 0.00 C ATOM 0 H ILE A 10 1.564 10.486 2.866 1.00 0.00 H new ATOM 0 HA ILE A 10 2.357 9.036 0.376 1.00 0.00 H new ATOM 0 HB ILE A 10 4.282 10.301 2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.617 11.640 -0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.875 11.465 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.923 9.855 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.121 8.358 1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.627 9.140 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.604 13.525 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.878 12.376 2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.647 12.555 2.263 1.00 0.00 H new ATOM 141 N CYS A 11 3.243 7.074 1.791 1.00 0.00 N ATOM 142 CA CYS A 11 3.443 5.866 2.648 1.00 0.00 C ATOM 143 C CYS A 11 4.649 5.087 2.130 1.00 0.00 C ATOM 144 O CYS A 11 5.127 5.322 1.038 1.00 0.00 O ATOM 145 CB CYS A 11 2.209 4.947 2.622 1.00 0.00 C ATOM 146 SG CYS A 11 0.816 5.755 1.792 1.00 0.00 S ATOM 0 H CYS A 11 3.494 6.955 0.809 1.00 0.00 H new ATOM 0 HA CYS A 11 3.604 6.196 3.674 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.454 4.018 2.108 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.926 4.683 3.641 1.00 0.00 H new ATOM 151 N SER A 12 5.150 4.159 2.899 1.00 0.00 N ATOM 152 CA SER A 12 6.331 3.377 2.430 1.00 0.00 C ATOM 153 C SER A 12 6.037 1.883 2.510 1.00 0.00 C ATOM 154 O SER A 12 5.459 1.419 3.464 1.00 0.00 O ATOM 155 CB SER A 12 7.540 3.680 3.312 1.00 0.00 C ATOM 156 OG SER A 12 7.476 2.881 4.485 1.00 0.00 O ATOM 0 H SER A 12 4.797 3.909 3.823 1.00 0.00 H new ATOM 0 HA SER A 12 6.541 3.658 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.462 3.475 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.555 4.737 3.578 1.00 0.00 H new ATOM 0 HG SER A 12 6.546 2.815 4.786 1.00 0.00 H new ATOM 162 N LEU A 13 6.432 1.150 1.496 1.00 0.00 N ATOM 163 CA LEU A 13 6.215 -0.330 1.441 1.00 0.00 C ATOM 164 C LEU A 13 6.124 -0.919 2.851 1.00 0.00 C ATOM 165 O LEU A 13 5.348 -1.819 3.104 1.00 0.00 O ATOM 166 CB LEU A 13 7.360 -0.974 0.633 1.00 0.00 C ATOM 167 CG LEU A 13 8.118 -2.028 1.454 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.970 -2.888 0.520 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.027 -1.330 2.466 1.00 0.00 C ATOM 0 H LEU A 13 6.911 1.530 0.679 1.00 0.00 H new ATOM 0 HA LEU A 13 5.268 -0.543 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.954 -1.437 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.054 -0.200 0.307 1.00 0.00 H new ATOM 0 HG LEU A 13 7.402 -2.659 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.508 -3.636 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.326 -3.387 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.685 -2.255 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.565 -2.078 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.742 -0.698 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.423 -0.715 3.134 1.00 0.00 H new ATOM 181 N TYR A 14 6.888 -0.414 3.770 1.00 0.00 N ATOM 182 CA TYR A 14 6.807 -0.952 5.155 1.00 0.00 C ATOM 183 C TYR A 14 5.342 -0.920 5.598 1.00 0.00 C ATOM 184 O TYR A 14 4.848 -1.827 6.239 1.00 0.00 O ATOM 185 CB TYR A 14 7.644 -0.083 6.095 1.00 0.00 C ATOM 186 CG TYR A 14 8.368 -0.971 7.074 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.642 -1.842 7.896 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.765 -0.927 7.157 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.316 -2.671 8.804 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.439 -1.756 8.064 1.00 0.00 C ATOM 191 CZ TYR A 14 9.714 -2.627 8.887 1.00 0.00 C ATOM 192 OH TYR A 14 10.377 -3.444 9.781 1.00 0.00 O ATOM 0 H TYR A 14 7.560 0.340 3.628 1.00 0.00 H new ATOM 0 HA TYR A 14 7.188 -1.973 5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.359 0.508 5.523 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.003 0.620 6.628 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.564 -1.875 7.831 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.323 -0.254 6.522 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.758 -3.343 9.439 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.517 -1.723 8.128 1.00 0.00 H new ATOM 0 HH TYR A 14 11.342 -3.290 9.711 1.00 0.00 H new ATOM 202 N GLN A 15 4.641 0.113 5.222 1.00 0.00 N ATOM 203 CA GLN A 15 3.206 0.235 5.573 1.00 0.00 C ATOM 204 C GLN A 15 2.411 -0.607 4.590 1.00 0.00 C ATOM 205 O GLN A 15 1.296 -1.007 4.842 1.00 0.00 O ATOM 206 CB GLN A 15 2.793 1.699 5.422 1.00 0.00 C ATOM 207 CG GLN A 15 3.350 2.527 6.581 1.00 0.00 C ATOM 208 CD GLN A 15 4.864 2.339 6.665 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.546 2.362 5.661 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.423 2.152 7.830 1.00 0.00 N ATOM 0 H GLN A 15 5.013 0.890 4.676 1.00 0.00 H new ATOM 0 HA GLN A 15 3.025 -0.099 6.595 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.161 2.092 4.474 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.706 1.777 5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.112 3.581 6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.883 2.221 7.517 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.850 2.133 8.673 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.433 2.025 7.897 1.00 0.00 H new ATOM 219 N LEU A 16 3.005 -0.878 3.469 1.00 0.00 N ATOM 220 CA LEU A 16 2.341 -1.691 2.437 1.00 0.00 C ATOM 221 C LEU A 16 2.505 -3.154 2.815 1.00 0.00 C ATOM 222 O LEU A 16 1.718 -4.000 2.443 1.00 0.00 O ATOM 223 CB LEU A 16 2.999 -1.404 1.092 1.00 0.00 C ATOM 224 CG LEU A 16 2.691 0.050 0.686 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.702 1.013 1.274 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.705 0.177 -0.836 1.00 0.00 C ATOM 0 H LEU A 16 3.943 -0.561 3.224 1.00 0.00 H new ATOM 0 HA LEU A 16 1.280 -1.453 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.076 -1.556 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.626 -2.094 0.335 1.00 0.00 H new ATOM 0 HG LEU A 16 1.704 0.303 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.456 2.030 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.679 0.945 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.699 0.758 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.487 1.207 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.688 -0.102 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.950 -0.483 -1.263 1.00 0.00 H new ATOM 238 N GLU A 17 3.516 -3.454 3.587 1.00 0.00 N ATOM 239 CA GLU A 17 3.711 -4.857 4.021 1.00 0.00 C ATOM 240 C GLU A 17 2.577 -5.198 4.978 1.00 0.00 C ATOM 241 O GLU A 17 2.209 -6.343 5.149 1.00 0.00 O ATOM 242 CB GLU A 17 5.060 -5.000 4.728 1.00 0.00 C ATOM 243 CG GLU A 17 6.186 -4.738 3.726 1.00 0.00 C ATOM 244 CD GLU A 17 7.517 -5.193 4.326 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.487 -5.870 5.341 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.546 -4.857 3.761 1.00 0.00 O ATOM 0 H GLU A 17 4.208 -2.789 3.931 1.00 0.00 H new ATOM 0 HA GLU A 17 3.705 -5.532 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.125 -4.296 5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.158 -6.000 5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.992 -5.273 2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.229 -3.677 3.480 1.00 0.00 H new ATOM 253 N ASN A 18 2.000 -4.194 5.582 1.00 0.00 N ATOM 254 CA ASN A 18 0.864 -4.442 6.508 1.00 0.00 C ATOM 255 C ASN A 18 -0.395 -4.682 5.672 1.00 0.00 C ATOM 256 O ASN A 18 -1.406 -5.145 6.166 1.00 0.00 O ATOM 257 CB ASN A 18 0.658 -3.223 7.409 1.00 0.00 C ATOM 258 CG ASN A 18 1.480 -3.387 8.688 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.520 -4.015 8.681 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.055 -2.844 9.796 1.00 0.00 N ATOM 0 H ASN A 18 2.267 -3.216 5.473 1.00 0.00 H new ATOM 0 HA ASN A 18 1.072 -5.311 7.133 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.959 -2.316 6.885 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.398 -3.114 7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.596 -2.947 10.655 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.182 -2.316 9.803 1.00 0.00 H new ATOM 267 N TYR A 19 -0.336 -4.368 4.405 1.00 0.00 N ATOM 268 CA TYR A 19 -1.515 -4.571 3.521 1.00 0.00 C ATOM 269 C TYR A 19 -1.418 -5.938 2.842 1.00 0.00 C ATOM 270 O TYR A 19 -2.192 -6.261 1.962 1.00 0.00 O ATOM 271 CB TYR A 19 -1.533 -3.469 2.460 1.00 0.00 C ATOM 272 CG TYR A 19 -2.068 -2.205 3.078 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.368 -1.599 4.124 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.261 -1.640 2.611 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.858 -0.428 4.709 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.754 -0.466 3.194 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.050 0.141 4.246 1.00 0.00 C ATOM 278 OH TYR A 19 -3.535 1.294 4.829 1.00 0.00 O ATOM 0 H TYR A 19 0.485 -3.977 3.944 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.431 -4.531 4.110 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.528 -3.303 2.072 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.155 -3.768 1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.447 -2.036 4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.801 -2.109 1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.316 0.038 5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.674 -0.029 2.835 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.930 1.578 5.545 1.00 0.00 H new ATOM 288 N CYS A 20 -0.470 -6.742 3.239 1.00 0.00 N ATOM 289 CA CYS A 20 -0.320 -8.084 2.613 1.00 0.00 C ATOM 290 C CYS A 20 -1.269 -9.081 3.280 1.00 0.00 C ATOM 291 O CYS A 20 -1.729 -8.873 4.384 1.00 0.00 O ATOM 292 CB CYS A 20 1.122 -8.558 2.783 1.00 0.00 C ATOM 293 SG CYS A 20 2.220 -7.427 1.896 1.00 0.00 S ATOM 0 H CYS A 20 0.207 -6.526 3.971 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.564 -8.018 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.386 -8.588 3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.233 -9.571 2.397 1.00 0.00 H new ATOM 298 N ASN A 21 -1.563 -10.164 2.613 1.00 0.00 N ATOM 299 CA ASN A 21 -2.482 -11.177 3.206 1.00 0.00 C ATOM 300 C ASN A 21 -1.706 -12.463 3.493 1.00 0.00 C ATOM 301 O ASN A 21 -1.249 -12.619 4.613 1.00 0.00 O ATOM 302 CB ASN A 21 -3.617 -11.473 2.223 1.00 0.00 C ATOM 303 CG ASN A 21 -3.038 -11.662 0.819 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.674 -10.705 0.165 1.00 0.00 O ATOM 305 ND2 ASN A 21 -2.938 -12.866 0.326 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.583 -13.272 2.587 1.00 0.00 O ATOM 0 H ASN A 21 -1.207 -10.391 1.684 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.899 -10.790 4.136 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.154 -12.370 2.530 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.337 -10.654 2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.554 -13.004 -0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.244 -13.669 0.875 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.788 0.960 0.901 1.00 0.00 N ATOM 315 CA PHE B 1 11.816 1.817 0.165 1.00 0.00 C ATOM 316 C PHE B 1 11.712 3.179 0.851 1.00 0.00 C ATOM 317 O PHE B 1 12.468 3.494 1.749 1.00 0.00 O ATOM 318 CB PHE B 1 10.441 1.146 0.165 1.00 0.00 C ATOM 319 CG PHE B 1 10.150 0.584 -1.207 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.950 -0.440 -1.732 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.076 1.085 -1.955 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.676 -0.962 -3.003 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.802 0.563 -3.226 1.00 0.00 C ATOM 324 CZ PHE B 1 9.603 -0.460 -3.750 1.00 0.00 C ATOM 0 H1 PHE B 1 13.520 0.622 0.244 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.234 1.514 1.660 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.290 0.145 1.313 1.00 0.00 H new ATOM 0 HA PHE B 1 12.158 1.950 -0.861 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.414 0.349 0.908 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.673 1.868 0.444 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.778 -0.827 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.459 1.874 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.292 -1.752 -3.407 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.974 0.949 -3.802 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.393 -0.862 -4.730 1.00 0.00 H new ATOM 336 N VAL B 2 10.778 3.989 0.435 1.00 0.00 N ATOM 337 CA VAL B 2 10.616 5.328 1.053 1.00 0.00 C ATOM 338 C VAL B 2 9.174 5.790 0.838 1.00 0.00 C ATOM 339 O VAL B 2 8.423 5.195 0.092 1.00 0.00 O ATOM 340 CB VAL B 2 11.603 6.308 0.397 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.826 5.911 -1.062 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.063 7.739 0.447 1.00 0.00 C ATOM 0 H VAL B 2 10.117 3.776 -0.312 1.00 0.00 H new ATOM 0 HA VAL B 2 10.825 5.288 2.122 1.00 0.00 H new ATOM 0 HB VAL B 2 12.544 6.266 0.946 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.526 6.607 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.235 4.902 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.877 5.941 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.778 8.414 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.113 7.788 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.912 8.035 1.485 1.00 0.00 H new ATOM 352 N ASN B 3 8.787 6.849 1.483 1.00 0.00 N ATOM 353 CA ASN B 3 7.395 7.352 1.314 1.00 0.00 C ATOM 354 C ASN B 3 7.176 7.726 -0.158 1.00 0.00 C ATOM 355 O ASN B 3 8.027 8.320 -0.789 1.00 0.00 O ATOM 356 CB ASN B 3 7.166 8.586 2.206 1.00 0.00 C ATOM 357 CG ASN B 3 8.008 8.468 3.480 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.413 7.386 3.856 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.291 9.543 4.163 1.00 0.00 N ATOM 0 H ASN B 3 9.371 7.390 2.120 1.00 0.00 H new ATOM 0 HA ASN B 3 6.689 6.575 1.607 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.435 9.493 1.664 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.110 8.669 2.463 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.852 9.475 5.012 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.951 10.452 3.848 1.00 0.00 H new ATOM 366 N GLN B 4 6.035 7.397 -0.703 1.00 0.00 N ATOM 367 CA GLN B 4 5.757 7.746 -2.126 1.00 0.00 C ATOM 368 C GLN B 4 4.251 7.929 -2.320 1.00 0.00 C ATOM 369 O GLN B 4 3.453 7.168 -1.809 1.00 0.00 O ATOM 370 CB GLN B 4 6.253 6.628 -3.044 1.00 0.00 C ATOM 371 CG GLN B 4 6.900 7.238 -4.289 1.00 0.00 C ATOM 372 CD GLN B 4 7.793 6.195 -4.965 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.556 4.927 -4.767 1.00 0.00 O flip ATOM 374 NE2 GLN B 4 8.714 6.537 -5.679 1.00 0.00 N flip ATOM 0 H GLN B 4 5.283 6.901 -0.224 1.00 0.00 H new ATOM 0 HA GLN B 4 6.276 8.672 -2.375 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.973 6.003 -2.516 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.422 5.984 -3.332 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.130 7.577 -4.982 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.489 8.113 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.899 7.528 -5.833 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.303 5.833 -6.124 1.00 0.00 H new ATOM 383 N HIS B 5 3.860 8.934 -3.052 1.00 0.00 N ATOM 384 CA HIS B 5 2.408 9.169 -3.277 1.00 0.00 C ATOM 385 C HIS B 5 1.859 8.109 -4.232 1.00 0.00 C ATOM 386 O HIS B 5 2.334 7.945 -5.338 1.00 0.00 O ATOM 387 CB HIS B 5 2.205 10.554 -3.885 1.00 0.00 C ATOM 388 CG HIS B 5 2.562 11.611 -2.877 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.589 12.342 -2.228 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.776 12.052 -2.426 1.00 0.00 C ATOM 391 CE1 HIS B 5 2.229 13.195 -1.415 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.568 13.055 -1.502 1.00 0.00 N ATOM 0 H HIS B 5 4.484 9.603 -3.504 1.00 0.00 H new ATOM 0 HA HIS B 5 1.880 9.108 -2.325 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.824 10.664 -4.776 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.168 10.674 -4.200 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.738 11.677 -2.741 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.734 13.906 -0.770 1.00 0.00 H new ATOM 0 HE2 HIS B 5 4.278 13.581 -0.992 1.00 0.00 H new ATOM 400 N LEU B 6 0.859 7.389 -3.809 1.00 0.00 N ATOM 401 CA LEU B 6 0.264 6.334 -4.677 1.00 0.00 C ATOM 402 C LEU B 6 -1.259 6.485 -4.676 1.00 0.00 C ATOM 403 O LEU B 6 -1.799 7.312 -3.976 1.00 0.00 O ATOM 404 CB LEU B 6 0.644 4.965 -4.119 1.00 0.00 C ATOM 405 CG LEU B 6 1.794 4.358 -4.922 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.815 5.424 -5.301 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.479 3.292 -4.077 1.00 0.00 C ATOM 0 H LEU B 6 0.424 7.486 -2.891 1.00 0.00 H new ATOM 0 HA LEU B 6 0.637 6.431 -5.697 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.934 5.060 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.220 4.301 -4.151 1.00 0.00 H new ATOM 0 HG LEU B 6 1.390 3.922 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.623 4.967 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.332 6.191 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.221 5.877 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.301 2.853 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.867 3.745 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.760 2.514 -3.819 1.00 0.00 H new ATOM 419 N CYS B 7 -1.966 5.696 -5.445 1.00 0.00 N ATOM 420 CA CYS B 7 -3.454 5.835 -5.451 1.00 0.00 C ATOM 421 C CYS B 7 -4.138 4.551 -5.937 1.00 0.00 C ATOM 422 O CYS B 7 -4.730 3.826 -5.165 1.00 0.00 O ATOM 423 CB CYS B 7 -3.855 7.003 -6.356 1.00 0.00 C ATOM 424 SG CYS B 7 -5.446 7.672 -5.807 1.00 0.00 S ATOM 0 H CYS B 7 -1.587 4.975 -6.058 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.780 6.024 -4.428 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.091 7.780 -6.325 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.927 6.668 -7.391 1.00 0.00 H new ATOM 429 N GLY B 8 -4.097 4.284 -7.208 1.00 0.00 N ATOM 430 CA GLY B 8 -4.782 3.065 -7.737 1.00 0.00 C ATOM 431 C GLY B 8 -3.766 2.025 -8.222 1.00 0.00 C ATOM 432 O GLY B 8 -3.169 1.315 -7.437 1.00 0.00 O ATOM 0 H GLY B 8 -3.621 4.853 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.408 2.630 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.442 3.343 -8.559 1.00 0.00 H new ATOM 436 N SER B 9 -3.577 1.920 -9.512 1.00 0.00 N ATOM 437 CA SER B 9 -2.614 0.916 -10.047 1.00 0.00 C ATOM 438 C SER B 9 -1.329 1.000 -9.246 1.00 0.00 C ATOM 439 O SER B 9 -0.869 0.038 -8.665 1.00 0.00 O ATOM 440 CB SER B 9 -2.323 1.216 -11.518 1.00 0.00 C ATOM 441 OG SER B 9 -1.020 0.750 -11.843 1.00 0.00 O ATOM 0 H SER B 9 -4.049 2.487 -10.217 1.00 0.00 H new ATOM 0 HA SER B 9 -3.038 -0.085 -9.966 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.064 0.731 -12.154 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.395 2.288 -11.704 1.00 0.00 H new ATOM 0 HG SER B 9 -0.831 0.939 -12.786 1.00 0.00 H new ATOM 447 N HIS B 10 -0.754 2.157 -9.205 1.00 0.00 N ATOM 448 CA HIS B 10 0.508 2.334 -8.437 1.00 0.00 C ATOM 449 C HIS B 10 0.299 1.985 -6.952 1.00 0.00 C ATOM 450 O HIS B 10 1.241 1.948 -6.193 1.00 0.00 O ATOM 451 CB HIS B 10 1.027 3.775 -8.564 1.00 0.00 C ATOM 452 CG HIS B 10 -0.090 4.744 -8.844 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.396 4.776 -8.433 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.118 5.852 -9.638 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -2.000 5.898 -8.969 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -1.043 6.515 -9.689 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.100 2.996 -9.670 1.00 0.00 H new ATOM 0 HA HIS B 10 1.250 1.654 -8.857 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.536 4.061 -7.644 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.764 3.827 -9.365 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.041 6.131 -10.125 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -3.024 6.214 -8.838 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.186 7.381 -10.209 1.00 0.00 H new ATOM 464 N LEU B 11 -0.905 1.673 -6.534 1.00 0.00 N ATOM 465 CA LEU B 11 -1.116 1.283 -5.112 1.00 0.00 C ATOM 466 C LEU B 11 -1.151 -0.217 -5.086 1.00 0.00 C ATOM 467 O LEU B 11 -0.442 -0.872 -4.349 1.00 0.00 O ATOM 468 CB LEU B 11 -2.452 1.819 -4.585 1.00 0.00 C ATOM 469 CG LEU B 11 -2.218 3.041 -3.698 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.508 3.390 -2.964 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.137 2.724 -2.664 1.00 0.00 C ATOM 0 H LEU B 11 -1.743 1.673 -7.115 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.322 1.692 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.100 2.086 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.966 1.042 -4.018 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.903 3.879 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.342 4.262 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.291 3.612 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.815 2.546 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.971 3.596 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.458 1.885 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.210 2.464 -3.175 1.00 0.00 H new ATOM 483 N VAL B 12 -1.947 -0.759 -5.941 1.00 0.00 N ATOM 484 CA VAL B 12 -2.018 -2.219 -6.046 1.00 0.00 C ATOM 485 C VAL B 12 -0.655 -2.668 -6.535 1.00 0.00 C ATOM 486 O VAL B 12 -0.196 -3.759 -6.260 1.00 0.00 O ATOM 487 CB VAL B 12 -3.103 -2.592 -7.058 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.296 -1.650 -6.897 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.553 -2.471 -8.485 1.00 0.00 C ATOM 0 H VAL B 12 -2.557 -0.246 -6.577 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.266 -2.694 -5.097 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.418 -3.620 -6.879 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.069 -1.916 -7.618 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.696 -1.739 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.975 -0.623 -7.071 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.332 -2.738 -9.199 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.232 -1.445 -8.665 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.704 -3.143 -8.606 1.00 0.00 H new ATOM 499 N GLU B 13 -0.001 -1.798 -7.252 1.00 0.00 N ATOM 500 CA GLU B 13 1.341 -2.125 -7.758 1.00 0.00 C ATOM 501 C GLU B 13 2.296 -2.064 -6.573 1.00 0.00 C ATOM 502 O GLU B 13 3.055 -2.976 -6.315 1.00 0.00 O ATOM 503 CB GLU B 13 1.762 -1.109 -8.820 1.00 0.00 C ATOM 504 CG GLU B 13 1.036 -1.412 -10.132 1.00 0.00 C ATOM 505 CD GLU B 13 2.037 -1.378 -11.289 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.225 -1.451 -11.022 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.598 -1.280 -12.424 1.00 0.00 O ATOM 0 H GLU B 13 -0.348 -0.873 -7.505 1.00 0.00 H new ATOM 0 HA GLU B 13 1.352 -3.115 -8.214 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.525 -0.099 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.841 -1.150 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.559 -2.391 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.245 -0.681 -10.300 1.00 0.00 H new ATOM 514 N ALA B 14 2.232 -0.991 -5.829 1.00 0.00 N ATOM 515 CA ALA B 14 3.096 -0.855 -4.634 1.00 0.00 C ATOM 516 C ALA B 14 2.831 -2.033 -3.704 1.00 0.00 C ATOM 517 O ALA B 14 3.743 -2.666 -3.209 1.00 0.00 O ATOM 518 CB ALA B 14 2.734 0.443 -3.919 1.00 0.00 C ATOM 0 H ALA B 14 1.612 -0.201 -6.005 1.00 0.00 H new ATOM 0 HA ALA B 14 4.147 -0.840 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.362 0.559 -3.035 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.895 1.286 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.687 0.413 -3.619 1.00 0.00 H new ATOM 524 N LEU B 15 1.584 -2.337 -3.463 1.00 0.00 N ATOM 525 CA LEU B 15 1.266 -3.479 -2.564 1.00 0.00 C ATOM 526 C LEU B 15 1.689 -4.766 -3.258 1.00 0.00 C ATOM 527 O LEU B 15 2.293 -5.642 -2.672 1.00 0.00 O ATOM 528 CB LEU B 15 -0.240 -3.534 -2.268 1.00 0.00 C ATOM 529 CG LEU B 15 -0.732 -2.285 -1.512 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.641 -2.736 -0.374 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.424 -1.490 -0.906 1.00 0.00 C ATOM 0 H LEU B 15 0.777 -1.846 -3.848 1.00 0.00 H new ATOM 0 HA LEU B 15 1.798 -3.355 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.789 -3.629 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.460 -4.424 -1.678 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.255 -1.646 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.999 -1.864 0.173 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.491 -3.283 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.083 -3.384 0.302 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.031 -0.618 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.970 -2.120 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.097 -1.164 -1.699 1.00 0.00 H new ATOM 543 N TYR B 16 1.381 -4.884 -4.512 1.00 0.00 N ATOM 544 CA TYR B 16 1.775 -6.111 -5.253 1.00 0.00 C ATOM 545 C TYR B 16 3.296 -6.252 -5.199 1.00 0.00 C ATOM 546 O TYR B 16 3.840 -7.321 -5.393 1.00 0.00 O ATOM 547 CB TYR B 16 1.322 -6.005 -6.713 1.00 0.00 C ATOM 548 CG TYR B 16 2.020 -7.065 -7.531 1.00 0.00 C ATOM 549 CD1 TYR B 16 3.259 -6.788 -8.123 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.433 -8.326 -7.692 1.00 0.00 C ATOM 551 CE1 TYR B 16 3.912 -7.771 -8.876 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.084 -9.310 -8.446 1.00 0.00 C ATOM 553 CZ TYR B 16 3.325 -9.033 -9.038 1.00 0.00 C ATOM 554 OH TYR B 16 3.967 -10.003 -9.781 1.00 0.00 O ATOM 0 H TYR B 16 0.874 -4.187 -5.058 1.00 0.00 H new ATOM 0 HA TYR B 16 1.303 -6.982 -4.798 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.241 -6.130 -6.780 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.553 -5.015 -7.106 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.711 -5.815 -7.998 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.478 -8.540 -7.235 1.00 0.00 H new ATOM 0 HE1 TYR B 16 4.867 -7.557 -9.332 1.00 0.00 H new ATOM 0 HE2 TYR B 16 1.631 -10.282 -8.572 1.00 0.00 H new ATOM 0 HH TYR B 16 3.424 -10.819 -9.792 1.00 0.00 H new ATOM 564 N LEU B 17 3.985 -5.179 -4.935 1.00 0.00 N ATOM 565 CA LEU B 17 5.469 -5.249 -4.869 1.00 0.00 C ATOM 566 C LEU B 17 5.895 -5.507 -3.427 1.00 0.00 C ATOM 567 O LEU B 17 6.886 -6.162 -3.171 1.00 0.00 O ATOM 568 CB LEU B 17 6.068 -3.930 -5.364 1.00 0.00 C ATOM 569 CG LEU B 17 7.301 -4.212 -6.228 1.00 0.00 C ATOM 570 CD1 LEU B 17 6.951 -5.233 -7.313 1.00 0.00 C ATOM 571 CD2 LEU B 17 7.760 -2.914 -6.892 1.00 0.00 C ATOM 0 H LEU B 17 3.585 -4.257 -4.762 1.00 0.00 H new ATOM 0 HA LEU B 17 5.828 -6.060 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.327 -3.377 -5.941 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.343 -3.304 -4.515 1.00 0.00 H new ATOM 0 HG LEU B 17 8.097 -4.610 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.831 -5.430 -7.925 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.618 -6.160 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.154 -4.837 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.638 -3.111 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.958 -2.522 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.012 -2.182 -6.125 1.00 0.00 H new ATOM 583 N VAL B 18 5.148 -5.015 -2.479 1.00 0.00 N ATOM 584 CA VAL B 18 5.512 -5.256 -1.060 1.00 0.00 C ATOM 585 C VAL B 18 5.098 -6.677 -0.686 1.00 0.00 C ATOM 586 O VAL B 18 5.804 -7.384 0.005 1.00 0.00 O ATOM 587 CB VAL B 18 4.798 -4.244 -0.161 1.00 0.00 C ATOM 588 CG1 VAL B 18 4.847 -2.862 -0.811 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.337 -4.656 0.040 1.00 0.00 C ATOM 0 H VAL B 18 4.305 -4.459 -2.626 1.00 0.00 H new ATOM 0 HA VAL B 18 6.587 -5.139 -0.925 1.00 0.00 H new ATOM 0 HB VAL B 18 5.298 -4.216 0.807 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.339 -2.141 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL B 18 5.886 -2.560 -0.945 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.352 -2.899 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.839 -3.929 0.681 1.00 0.00 H new ATOM 0 HG22 VAL B 18 2.833 -4.693 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.297 -5.640 0.508 1.00 0.00 H new ATOM 599 N CYS B 19 3.957 -7.096 -1.149 1.00 0.00 N ATOM 600 CA CYS B 19 3.484 -8.473 -0.836 1.00 0.00 C ATOM 601 C CYS B 19 4.070 -9.455 -1.853 1.00 0.00 C ATOM 602 O CYS B 19 4.116 -10.647 -1.624 1.00 0.00 O ATOM 603 CB CYS B 19 1.959 -8.505 -0.905 1.00 0.00 C ATOM 604 SG CYS B 19 1.303 -7.165 0.116 1.00 0.00 S ATOM 0 H CYS B 19 3.328 -6.544 -1.733 1.00 0.00 H new ATOM 0 HA CYS B 19 3.808 -8.758 0.165 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.625 -8.392 -1.936 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.585 -9.466 -0.552 1.00 0.00 H new ATOM 609 N GLY B 20 4.523 -8.961 -2.972 1.00 0.00 N ATOM 610 CA GLY B 20 5.113 -9.863 -4.002 1.00 0.00 C ATOM 611 C GLY B 20 4.111 -10.962 -4.363 1.00 0.00 C ATOM 612 O GLY B 20 2.954 -10.699 -4.625 1.00 0.00 O ATOM 0 H GLY B 20 4.510 -7.971 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.376 -9.291 -4.892 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.034 -10.307 -3.625 1.00 0.00 H new ATOM 616 N GLU B 21 4.550 -12.191 -4.385 1.00 0.00 N ATOM 617 CA GLU B 21 3.629 -13.309 -4.735 1.00 0.00 C ATOM 618 C GLU B 21 2.484 -13.368 -3.723 1.00 0.00 C ATOM 619 O GLU B 21 1.351 -13.640 -4.068 1.00 0.00 O ATOM 620 CB GLU B 21 4.398 -14.631 -4.714 1.00 0.00 C ATOM 621 CG GLU B 21 5.008 -14.845 -3.327 1.00 0.00 C ATOM 622 CD GLU B 21 6.271 -15.700 -3.451 1.00 0.00 C ATOM 623 OE1 GLU B 21 7.215 -15.240 -4.069 1.00 0.00 O ATOM 624 OE2 GLU B 21 6.270 -16.800 -2.924 1.00 0.00 O ATOM 0 H GLU B 21 5.509 -12.469 -4.175 1.00 0.00 H new ATOM 0 HA GLU B 21 3.221 -13.142 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.730 -15.456 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU B 21 5.183 -14.619 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.250 -13.884 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.287 -15.335 -2.673 1.00 0.00 H new ATOM 631 N ARG B 22 2.770 -13.116 -2.477 1.00 0.00 N ATOM 632 CA ARG B 22 1.696 -13.158 -1.444 1.00 0.00 C ATOM 633 C ARG B 22 0.517 -12.308 -1.907 1.00 0.00 C ATOM 634 O ARG B 22 -0.621 -12.730 -1.879 1.00 0.00 O ATOM 635 CB ARG B 22 2.236 -12.610 -0.122 1.00 0.00 C ATOM 636 CG ARG B 22 3.252 -13.594 0.463 1.00 0.00 C ATOM 637 CD ARG B 22 4.426 -12.821 1.064 1.00 0.00 C ATOM 638 NE ARG B 22 4.302 -12.806 2.549 1.00 0.00 N ATOM 639 CZ ARG B 22 5.264 -12.313 3.279 1.00 0.00 C ATOM 640 NH1 ARG B 22 6.506 -12.458 2.906 1.00 0.00 N ATOM 641 NH2 ARG B 22 4.985 -11.675 4.383 1.00 0.00 N ATOM 0 H ARG B 22 3.700 -12.883 -2.128 1.00 0.00 H new ATOM 0 HA ARG B 22 1.368 -14.187 -1.300 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.705 -11.640 -0.283 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.417 -12.455 0.581 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.779 -14.209 1.228 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.608 -14.270 -0.314 1.00 0.00 H new ATOM 0 HD2 ARG B 22 5.368 -13.284 0.772 1.00 0.00 H new ATOM 0 HD3 ARG B 22 4.439 -11.801 0.679 1.00 0.00 H new ATOM 0 HE ARG B 22 3.465 -13.181 2.995 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.725 -12.957 2.044 1.00 0.00 H new ATOM 0 HH12 ARG B 22 7.258 -12.072 3.477 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.014 -11.562 4.675 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.738 -11.290 4.954 1.00 0.00 H new ATOM 655 N GLY B 23 0.789 -11.113 -2.335 1.00 0.00 N ATOM 656 CA GLY B 23 -0.303 -10.218 -2.809 1.00 0.00 C ATOM 657 C GLY B 23 -0.929 -9.494 -1.615 1.00 0.00 C ATOM 658 O GLY B 23 -0.494 -9.639 -0.490 1.00 0.00 O ATOM 0 H GLY B 23 1.726 -10.712 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY B 23 0.091 -9.493 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.062 -10.799 -3.333 1.00 0.00 H new ATOM 662 N PHE B 24 -1.943 -8.709 -1.854 1.00 0.00 N ATOM 663 CA PHE B 24 -2.590 -7.968 -0.736 1.00 0.00 C ATOM 664 C PHE B 24 -4.106 -7.962 -0.932 1.00 0.00 C ATOM 665 O PHE B 24 -4.630 -8.601 -1.821 1.00 0.00 O ATOM 666 CB PHE B 24 -2.079 -6.525 -0.724 1.00 0.00 C ATOM 667 CG PHE B 24 -2.100 -5.975 -2.131 1.00 0.00 C ATOM 668 CD1 PHE B 24 -1.217 -6.480 -3.094 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.000 -4.957 -2.473 1.00 0.00 C ATOM 670 CE1 PHE B 24 -1.235 -5.971 -4.398 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.019 -4.447 -3.779 1.00 0.00 C ATOM 672 CZ PHE B 24 -2.136 -4.953 -4.742 1.00 0.00 C ATOM 0 H PHE B 24 -2.351 -8.549 -2.775 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.348 -8.455 0.209 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.702 -5.912 -0.073 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.066 -6.489 -0.323 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.521 -7.263 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.679 -4.565 -1.730 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.554 -6.363 -5.140 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.714 -3.664 -4.043 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.149 -4.560 -5.748 1.00 0.00 H new ATOM 682 N PHE B 25 -4.812 -7.236 -0.110 1.00 0.00 N ATOM 683 CA PHE B 25 -6.292 -7.179 -0.251 1.00 0.00 C ATOM 684 C PHE B 25 -6.686 -5.828 -0.843 1.00 0.00 C ATOM 685 O PHE B 25 -7.643 -5.716 -1.583 1.00 0.00 O ATOM 686 CB PHE B 25 -6.946 -7.348 1.123 1.00 0.00 C ATOM 687 CG PHE B 25 -8.356 -7.860 0.950 1.00 0.00 C ATOM 688 CD1 PHE B 25 -8.577 -9.188 0.562 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.443 -7.006 1.180 1.00 0.00 C ATOM 690 CE1 PHE B 25 -9.886 -9.663 0.403 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.752 -7.481 1.021 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.973 -8.809 0.632 1.00 0.00 C ATOM 0 H PHE B 25 -4.427 -6.680 0.653 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.629 -7.980 -0.909 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.367 -8.044 1.730 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.956 -6.395 1.652 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.739 -9.846 0.385 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.272 -5.983 1.480 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.057 -10.687 0.104 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.590 -6.824 1.198 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.982 -9.174 0.509 1.00 0.00 H new ATOM 702 N TYR B 26 -5.946 -4.806 -0.523 1.00 0.00 N ATOM 703 CA TYR B 26 -6.255 -3.449 -1.059 1.00 0.00 C ATOM 704 C TYR B 26 -7.718 -3.101 -0.774 1.00 0.00 C ATOM 705 O TYR B 26 -8.625 -3.632 -1.381 1.00 0.00 O ATOM 706 CB TYR B 26 -6.009 -3.428 -2.567 1.00 0.00 C ATOM 707 CG TYR B 26 -5.965 -1.997 -3.047 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.220 -1.041 -2.342 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.673 -1.626 -4.195 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.187 0.287 -2.789 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.639 -0.299 -4.642 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.897 0.657 -3.938 1.00 0.00 C ATOM 713 OH TYR B 26 -5.867 1.964 -4.377 1.00 0.00 O ATOM 0 H TYR B 26 -5.133 -4.851 0.092 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.610 -2.715 -0.575 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.071 -3.931 -2.801 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.800 -3.972 -3.083 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.673 -1.327 -1.456 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.246 -2.363 -4.737 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.614 1.025 -2.247 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.185 -0.013 -5.529 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.060 2.111 -4.913 1.00 0.00 H new ATOM 723 N THR B 27 -7.953 -2.210 0.148 1.00 0.00 N ATOM 724 CA THR B 27 -9.356 -1.828 0.473 1.00 0.00 C ATOM 725 C THR B 27 -9.633 -0.409 -0.031 1.00 0.00 C ATOM 726 O THR B 27 -8.757 0.431 -0.060 1.00 0.00 O ATOM 727 CB THR B 27 -9.559 -1.879 1.989 1.00 0.00 C ATOM 728 OG1 THR B 27 -8.690 -0.945 2.614 1.00 0.00 O ATOM 729 CG2 THR B 27 -9.251 -3.287 2.500 1.00 0.00 C ATOM 0 H THR B 27 -7.235 -1.730 0.691 1.00 0.00 H new ATOM 0 HA THR B 27 -10.042 -2.523 -0.011 1.00 0.00 H new ATOM 0 HB THR B 27 -10.593 -1.628 2.226 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.820 -0.976 3.585 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.396 -3.322 3.580 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.919 -4.002 2.021 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.218 -3.542 2.264 1.00 0.00 H new ATOM 737 N LYS B 28 -10.847 -0.138 -0.425 1.00 0.00 N ATOM 738 CA LYS B 28 -11.181 1.226 -0.924 1.00 0.00 C ATOM 739 C LYS B 28 -12.316 1.811 -0.073 1.00 0.00 C ATOM 740 O LYS B 28 -13.299 1.144 0.182 1.00 0.00 O ATOM 741 CB LYS B 28 -11.635 1.134 -2.383 1.00 0.00 C ATOM 742 CG LYS B 28 -12.271 2.459 -2.807 1.00 0.00 C ATOM 743 CD LYS B 28 -12.521 2.446 -4.316 1.00 0.00 C ATOM 744 CE LYS B 28 -13.646 1.462 -4.639 1.00 0.00 C ATOM 745 NZ LYS B 28 -13.195 0.523 -5.705 1.00 0.00 N ATOM 0 H LYS B 28 -11.622 -0.802 -0.423 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.303 1.868 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.785 0.905 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.351 0.321 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.209 2.611 -2.274 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.616 3.290 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.788 3.445 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.611 2.160 -4.844 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.925 0.906 -3.744 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.533 2.003 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -13.960 -0.146 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.949 1.061 -6.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.360 -0.002 -5.375 1.00 0.00 H new ATOM 759 N PRO B 29 -12.148 3.042 0.345 1.00 0.00 N ATOM 760 CA PRO B 29 -13.149 3.740 1.172 1.00 0.00 C ATOM 761 C PRO B 29 -14.310 4.232 0.304 1.00 0.00 C ATOM 762 O PRO B 29 -14.111 4.839 -0.730 1.00 0.00 O ATOM 763 CB PRO B 29 -12.370 4.917 1.763 1.00 0.00 C ATOM 764 CG PRO B 29 -11.165 5.159 0.823 1.00 0.00 C ATOM 765 CD PRO B 29 -10.951 3.853 0.035 1.00 0.00 C ATOM 0 HA PRO B 29 -13.592 3.103 1.937 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.998 5.806 1.826 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.034 4.691 2.775 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.362 5.991 0.147 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.274 5.417 1.395 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.865 4.043 -1.035 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.036 3.347 0.344 1.00 0.00 H new ATOM 773 N THR B 30 -15.522 3.976 0.717 1.00 0.00 N ATOM 774 CA THR B 30 -16.693 4.430 -0.084 1.00 0.00 C ATOM 775 C THR B 30 -17.950 4.403 0.789 1.00 0.00 C ATOM 776 O THR B 30 -18.470 3.322 1.011 1.00 0.00 O ATOM 777 CB THR B 30 -16.885 3.497 -1.282 1.00 0.00 C ATOM 778 OG1 THR B 30 -18.215 3.620 -1.767 1.00 0.00 O ATOM 779 CG2 THR B 30 -16.627 2.053 -0.853 1.00 0.00 C ATOM 780 OXT THR B 30 -18.370 5.463 1.222 1.00 0.00 O ATOM 0 H THR B 30 -15.751 3.472 1.574 1.00 0.00 H new ATOM 0 HA THR B 30 -16.518 5.446 -0.439 1.00 0.00 H new ATOM 0 HB THR B 30 -16.184 3.769 -2.071 1.00 0.00 H new ATOM 0 HG1 THR B 30 -18.339 3.024 -2.535 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.764 1.390 -1.707 1.00 0.00 H new ATOM 0 HG22 THR B 30 -15.606 1.961 -0.482 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.326 1.777 -0.064 1.00 0.00 H new TER 788 THR B 30