USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 421 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 33 HIS : no HE2:sc= 0.822 K(o=1.9,f=-1.2) USER MOD Set 1.2: A 49 SER OG : rot -154:sc= 1.06 USER MOD Single : A 1 MET CE :methyl -141:sc= -0.238 (180deg=-0.987) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.14) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -95:sc= 0.00652 USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00406) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00371 USER MOD Single : A 30 THR OG1 : rot 69:sc= 0.235 USER MOD Single : A 32 MET CE :methyl -147:sc= -2.04! (180deg=-2.15) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.034 F(o=-0.97,f=-0.034) USER MOD Single : A 37 CYS SG : rot -32:sc= 0.0108 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 50 ASN : amide:sc= -0.0748 K(o=-0.075,f=-1.3!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.660 9.836 13.916 1.00 0.00 N ATOM 2 CA MET A 1 -6.053 9.582 13.477 1.00 0.00 C ATOM 3 C MET A 1 -6.153 8.235 12.765 1.00 0.00 C ATOM 4 O MET A 1 -6.738 7.288 13.290 1.00 0.00 O ATOM 5 CB MET A 1 -6.542 10.714 12.570 1.00 0.00 C ATOM 6 CG MET A 1 -8.016 10.618 12.211 1.00 0.00 C ATOM 7 SD MET A 1 -8.599 12.055 11.286 1.00 0.00 S ATOM 8 CE MET A 1 -8.301 13.371 12.468 1.00 0.00 C ATOM 0 H1 MET A 1 -4.610 10.756 14.398 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.360 9.085 14.570 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.031 9.845 13.088 1.00 0.00 H new ATOM 0 HA MET A 1 -6.694 9.549 14.358 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.359 11.668 13.064 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.953 10.712 11.653 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.185 9.717 11.621 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.603 10.515 13.124 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.123 14.086 12.431 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.231 12.950 13.471 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.368 13.877 12.221 1.00 0.00 H new ATOM 18 N GLY A 2 -5.592 8.155 11.567 1.00 0.00 N ATOM 19 CA GLY A 2 -5.517 6.890 10.868 1.00 0.00 C ATOM 20 C GLY A 2 -4.207 6.774 10.129 1.00 0.00 C ATOM 21 O GLY A 2 -3.316 7.594 10.344 1.00 0.00 O ATOM 0 H GLY A 2 -5.187 8.946 11.066 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.615 6.069 11.578 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.347 6.805 10.166 1.00 0.00 H new ATOM 25 N LEU A 3 -4.069 5.768 9.279 1.00 0.00 N ATOM 26 CA LEU A 3 -2.884 5.656 8.435 1.00 0.00 C ATOM 27 C LEU A 3 -2.772 6.882 7.533 1.00 0.00 C ATOM 28 O LEU A 3 -3.714 7.222 6.819 1.00 0.00 O ATOM 29 CB LEU A 3 -2.939 4.384 7.585 1.00 0.00 C ATOM 30 CG LEU A 3 -2.876 3.073 8.372 1.00 0.00 C ATOM 31 CD1 LEU A 3 -3.001 1.882 7.433 1.00 0.00 C ATOM 32 CD2 LEU A 3 -1.582 2.989 9.169 1.00 0.00 C ATOM 0 H LEU A 3 -4.754 5.023 9.154 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.006 5.600 9.079 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.860 4.395 7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.112 4.404 6.876 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.712 3.051 9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.954 0.958 8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.954 1.933 6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.185 1.901 6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.556 2.050 9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.732 3.033 8.488 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.531 3.823 9.868 1.00 0.00 H new ATOM 43 N LYS A 4 -1.633 7.555 7.594 1.00 0.00 N ATOM 44 CA LYS A 4 -1.427 8.776 6.828 1.00 0.00 C ATOM 45 C LYS A 4 -0.491 8.505 5.658 1.00 0.00 C ATOM 46 O LYS A 4 0.158 7.456 5.604 1.00 0.00 O ATOM 47 CB LYS A 4 -0.819 9.865 7.721 1.00 0.00 C ATOM 48 CG LYS A 4 -1.512 10.034 9.065 1.00 0.00 C ATOM 49 CD LYS A 4 -2.969 10.430 8.912 1.00 0.00 C ATOM 50 CE LYS A 4 -3.233 11.809 9.490 1.00 0.00 C ATOM 51 NZ LYS A 4 -2.548 12.876 8.723 1.00 0.00 N ATOM 0 H LYS A 4 -0.836 7.276 8.166 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.392 9.116 6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.231 9.631 7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.850 10.815 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.448 9.101 9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.990 10.793 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.242 10.418 7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.601 9.697 9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.306 12.000 9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.898 11.837 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.862 13.806 9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.519 12.789 8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.781 12.783 7.714 1.00 0.00 H new ATOM 61 N TRP A 5 -0.408 9.454 4.732 1.00 0.00 N ATOM 62 CA TRP A 5 0.504 9.339 3.602 1.00 0.00 C ATOM 63 C TRP A 5 1.916 9.693 4.047 1.00 0.00 C ATOM 64 O TRP A 5 2.488 10.707 3.644 1.00 0.00 O ATOM 65 CB TRP A 5 0.066 10.238 2.447 1.00 0.00 C ATOM 66 CG TRP A 5 -1.253 9.857 1.851 1.00 0.00 C ATOM 67 CD1 TRP A 5 -2.310 10.683 1.618 1.00 0.00 C ATOM 68 CD2 TRP A 5 -1.663 8.551 1.416 1.00 0.00 C ATOM 69 NE1 TRP A 5 -3.340 9.981 1.052 1.00 0.00 N ATOM 70 CE2 TRP A 5 -2.973 8.672 0.921 1.00 0.00 C ATOM 71 CE3 TRP A 5 -1.050 7.293 1.394 1.00 0.00 C ATOM 72 CZ2 TRP A 5 -3.677 7.588 0.406 1.00 0.00 C ATOM 73 CZ3 TRP A 5 -1.751 6.218 0.884 1.00 0.00 C ATOM 74 CH2 TRP A 5 -3.055 6.371 0.398 1.00 0.00 C ATOM 0 H TRP A 5 -0.961 10.311 4.742 1.00 0.00 H new ATOM 0 HA TRP A 5 0.487 8.309 3.245 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.010 11.267 2.801 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.828 10.210 1.668 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.333 11.738 1.846 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.239 10.373 0.772 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.046 7.165 1.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.681 7.704 0.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.286 5.244 0.860 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.580 5.511 0.009 1.00 0.00 H new ATOM 84 N THR A 6 2.447 8.838 4.901 1.00 0.00 N ATOM 85 CA THR A 6 3.757 9.020 5.498 1.00 0.00 C ATOM 86 C THR A 6 4.158 7.738 6.223 1.00 0.00 C ATOM 87 O THR A 6 5.340 7.406 6.334 1.00 0.00 O ATOM 88 CB THR A 6 3.779 10.226 6.469 1.00 0.00 C ATOM 89 OG1 THR A 6 5.106 10.452 6.962 1.00 0.00 O ATOM 90 CG2 THR A 6 2.831 10.016 7.635 1.00 0.00 C ATOM 0 H THR A 6 1.974 7.986 5.204 1.00 0.00 H new ATOM 0 HA THR A 6 4.475 9.234 4.706 1.00 0.00 H new ATOM 0 HB THR A 6 3.449 11.101 5.910 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.102 11.218 7.573 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.871 10.881 8.297 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.815 9.893 7.260 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.125 9.123 8.187 1.00 0.00 H new ATOM 98 N ASP A 7 3.151 7.005 6.697 1.00 0.00 N ATOM 99 CA ASP A 7 3.354 5.693 7.297 1.00 0.00 C ATOM 100 C ASP A 7 3.484 4.635 6.204 1.00 0.00 C ATOM 101 O ASP A 7 2.884 3.566 6.293 1.00 0.00 O ATOM 102 CB ASP A 7 2.169 5.329 8.197 1.00 0.00 C ATOM 103 CG ASP A 7 1.858 6.376 9.246 1.00 0.00 C ATOM 104 OD1 ASP A 7 2.533 6.391 10.297 1.00 0.00 O ATOM 105 OD2 ASP A 7 0.922 7.175 9.030 1.00 0.00 O ATOM 0 H ASP A 7 2.176 7.305 6.675 1.00 0.00 H new ATOM 0 HA ASP A 7 4.266 5.726 7.892 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.286 5.176 7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.378 4.381 8.693 1.00 0.00 H new ATOM 109 N SER A 8 4.275 4.936 5.182 1.00 0.00 N ATOM 110 CA SER A 8 4.391 4.087 4.002 1.00 0.00 C ATOM 111 C SER A 8 4.779 2.649 4.347 1.00 0.00 C ATOM 112 O SER A 8 4.273 1.702 3.746 1.00 0.00 O ATOM 113 CB SER A 8 5.398 4.683 3.046 1.00 0.00 C ATOM 114 OG SER A 8 5.083 6.035 2.750 1.00 0.00 O ATOM 0 H SER A 8 4.854 5.775 5.147 1.00 0.00 H new ATOM 0 HA SER A 8 3.408 4.045 3.532 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.396 4.626 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.418 4.101 2.125 1.00 0.00 H new ATOM 0 HG SER A 8 5.750 6.398 2.131 1.00 0.00 H new ATOM 119 N ARG A 9 5.656 2.485 5.329 1.00 0.00 N ATOM 120 CA ARG A 9 6.110 1.157 5.722 1.00 0.00 C ATOM 121 C ARG A 9 5.034 0.462 6.543 1.00 0.00 C ATOM 122 O ARG A 9 4.841 -0.748 6.444 1.00 0.00 O ATOM 123 CB ARG A 9 7.397 1.246 6.534 1.00 0.00 C ATOM 124 CG ARG A 9 8.100 -0.090 6.711 1.00 0.00 C ATOM 125 CD ARG A 9 9.268 0.017 7.674 1.00 0.00 C ATOM 126 NE ARG A 9 10.133 1.154 7.366 1.00 0.00 N ATOM 127 CZ ARG A 9 11.457 1.121 7.443 1.00 0.00 C ATOM 128 NH1 ARG A 9 12.083 -0.009 7.748 1.00 0.00 N ATOM 129 NH2 ARG A 9 12.154 2.228 7.212 1.00 0.00 N ATOM 0 H ARG A 9 6.065 3.250 5.865 1.00 0.00 H new ATOM 0 HA ARG A 9 6.306 0.580 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.078 1.943 6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.169 1.660 7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.390 -0.830 7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.456 -0.445 5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.890 0.115 8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.852 -0.902 7.638 1.00 0.00 H new ATOM 0 HE ARG A 9 9.692 2.026 7.074 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.546 -0.858 7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.101 -0.028 7.806 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.671 3.095 6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.172 2.211 7.269 1.00 0.00 H new ATOM 140 N GLU A 10 4.328 1.246 7.347 1.00 0.00 N ATOM 141 CA GLU A 10 3.250 0.725 8.174 1.00 0.00 C ATOM 142 C GLU A 10 2.105 0.265 7.281 1.00 0.00 C ATOM 143 O GLU A 10 1.445 -0.738 7.553 1.00 0.00 O ATOM 144 CB GLU A 10 2.756 1.796 9.146 1.00 0.00 C ATOM 145 CG GLU A 10 3.877 2.573 9.820 1.00 0.00 C ATOM 146 CD GLU A 10 4.832 1.691 10.596 1.00 0.00 C ATOM 147 OE1 GLU A 10 4.555 1.399 11.779 1.00 0.00 O ATOM 148 OE2 GLU A 10 5.872 1.296 10.032 1.00 0.00 O ATOM 0 H GLU A 10 4.484 2.249 7.443 1.00 0.00 H new ATOM 0 HA GLU A 10 3.623 -0.120 8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.114 2.494 8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.142 1.323 9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.435 3.123 9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.444 3.311 10.495 1.00 0.00 H new ATOM 153 N ILE A 11 1.893 1.016 6.206 1.00 0.00 N ATOM 154 CA ILE A 11 0.900 0.667 5.200 1.00 0.00 C ATOM 155 C ILE A 11 1.372 -0.542 4.397 1.00 0.00 C ATOM 156 O ILE A 11 0.577 -1.405 4.026 1.00 0.00 O ATOM 157 CB ILE A 11 0.632 1.855 4.249 1.00 0.00 C ATOM 158 CG1 ILE A 11 0.052 3.041 5.027 1.00 0.00 C ATOM 159 CG2 ILE A 11 -0.305 1.440 3.126 1.00 0.00 C ATOM 160 CD1 ILE A 11 -0.154 4.284 4.183 1.00 0.00 C ATOM 0 H ILE A 11 2.401 1.878 6.009 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.030 0.421 5.712 1.00 0.00 H new ATOM 0 HB ILE A 11 1.579 2.164 3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.903 2.746 5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.719 3.282 5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.482 2.290 2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.147 0.627 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.253 1.105 3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.567 5.080 4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.802 4.605 3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.845 4.061 3.370 1.00 0.00 H new ATOM 171 N GLY A 12 2.675 -0.589 4.142 1.00 0.00 N ATOM 172 CA GLY A 12 3.275 -1.732 3.478 1.00 0.00 C ATOM 173 C GLY A 12 2.958 -3.029 4.195 1.00 0.00 C ATOM 174 O GLY A 12 2.468 -3.977 3.581 1.00 0.00 O ATOM 0 H GLY A 12 3.332 0.152 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.914 -1.787 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.356 -1.598 3.429 1.00 0.00 H new ATOM 178 N GLU A 13 3.212 -3.057 5.502 1.00 0.00 N ATOM 179 CA GLU A 13 2.883 -4.215 6.327 1.00 0.00 C ATOM 180 C GLU A 13 1.402 -4.553 6.223 1.00 0.00 C ATOM 181 O GLU A 13 1.031 -5.721 6.165 1.00 0.00 O ATOM 182 CB GLU A 13 3.228 -3.964 7.794 1.00 0.00 C ATOM 183 CG GLU A 13 4.707 -3.759 8.066 1.00 0.00 C ATOM 184 CD GLU A 13 4.992 -3.572 9.541 1.00 0.00 C ATOM 185 OE1 GLU A 13 4.628 -2.509 10.088 1.00 0.00 O ATOM 186 OE2 GLU A 13 5.563 -4.489 10.167 1.00 0.00 O ATOM 0 H GLU A 13 3.646 -2.288 6.012 1.00 0.00 H new ATOM 0 HA GLU A 13 3.476 -5.051 5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.683 -3.085 8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.876 -4.808 8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.266 -4.618 7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.059 -2.887 7.515 1.00 0.00 H new ATOM 191 N ALA A 14 0.561 -3.523 6.202 1.00 0.00 N ATOM 192 CA ALA A 14 -0.880 -3.714 6.106 1.00 0.00 C ATOM 193 C ALA A 14 -1.243 -4.505 4.856 1.00 0.00 C ATOM 194 O ALA A 14 -1.993 -5.479 4.925 1.00 0.00 O ATOM 195 CB ALA A 14 -1.597 -2.374 6.103 1.00 0.00 C ATOM 0 H ALA A 14 0.854 -2.547 6.250 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.202 -4.283 6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.672 -2.537 6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.372 -1.839 7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.261 -1.784 5.250 1.00 0.00 H new ATOM 201 N LEU A 15 -0.693 -4.089 3.722 1.00 0.00 N ATOM 202 CA LEU A 15 -0.972 -4.749 2.454 1.00 0.00 C ATOM 203 C LEU A 15 -0.282 -6.109 2.391 1.00 0.00 C ATOM 204 O LEU A 15 -0.850 -7.080 1.903 1.00 0.00 O ATOM 205 CB LEU A 15 -0.519 -3.875 1.280 1.00 0.00 C ATOM 206 CG LEU A 15 -1.081 -2.450 1.266 1.00 0.00 C ATOM 207 CD1 LEU A 15 -0.722 -1.751 -0.031 1.00 0.00 C ATOM 208 CD2 LEU A 15 -2.587 -2.454 1.477 1.00 0.00 C ATOM 0 H LEU A 15 -0.052 -3.298 3.655 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.049 -4.901 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.569 -3.818 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.803 -4.369 0.351 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.630 -1.899 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.129 -0.740 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.362 -1.705 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.141 -2.305 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.959 -1.430 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.064 -3.025 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.818 -2.910 2.439 1.00 0.00 H new ATOM 219 N TYR A 16 0.938 -6.166 2.909 1.00 0.00 N ATOM 220 CA TYR A 16 1.724 -7.396 2.935 1.00 0.00 C ATOM 221 C TYR A 16 1.050 -8.465 3.795 1.00 0.00 C ATOM 222 O TYR A 16 1.092 -9.653 3.477 1.00 0.00 O ATOM 223 CB TYR A 16 3.132 -7.085 3.462 1.00 0.00 C ATOM 224 CG TYR A 16 4.018 -8.294 3.661 1.00 0.00 C ATOM 225 CD1 TYR A 16 4.518 -9.004 2.577 1.00 0.00 C ATOM 226 CD2 TYR A 16 4.365 -8.715 4.939 1.00 0.00 C ATOM 227 CE1 TYR A 16 5.337 -10.102 2.763 1.00 0.00 C ATOM 228 CE2 TYR A 16 5.181 -9.811 5.132 1.00 0.00 C ATOM 229 CZ TYR A 16 5.664 -10.501 4.043 1.00 0.00 C ATOM 230 OH TYR A 16 6.480 -11.593 4.234 1.00 0.00 O ATOM 0 H TYR A 16 1.411 -5.363 3.323 1.00 0.00 H new ATOM 0 HA TYR A 16 1.795 -7.791 1.921 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.622 -6.404 2.767 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.041 -6.559 4.412 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.263 -8.694 1.574 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.990 -8.175 5.796 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.719 -10.645 1.911 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.439 -10.126 6.132 1.00 0.00 H new ATOM 0 HH TYR A 16 6.612 -11.738 5.194 1.00 0.00 H new ATOM 239 N ASP A 17 0.430 -8.035 4.885 1.00 0.00 N ATOM 240 CA ASP A 17 -0.244 -8.953 5.800 1.00 0.00 C ATOM 241 C ASP A 17 -1.604 -9.383 5.259 1.00 0.00 C ATOM 242 O ASP A 17 -1.937 -10.567 5.262 1.00 0.00 O ATOM 243 CB ASP A 17 -0.414 -8.309 7.180 1.00 0.00 C ATOM 244 CG ASP A 17 -1.200 -9.179 8.140 1.00 0.00 C ATOM 245 OD1 ASP A 17 -0.725 -10.284 8.477 1.00 0.00 O ATOM 246 OD2 ASP A 17 -2.292 -8.753 8.575 1.00 0.00 O ATOM 0 H ASP A 17 0.378 -7.054 5.160 1.00 0.00 H new ATOM 0 HA ASP A 17 0.382 -9.840 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.569 -8.104 7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.920 -7.350 7.069 1.00 0.00 H new ATOM 250 N ALA A 18 -2.383 -8.419 4.786 1.00 0.00 N ATOM 251 CA ALA A 18 -3.726 -8.702 4.297 1.00 0.00 C ATOM 252 C ALA A 18 -3.687 -9.418 2.951 1.00 0.00 C ATOM 253 O ALA A 18 -4.562 -10.233 2.645 1.00 0.00 O ATOM 254 CB ALA A 18 -4.535 -7.418 4.195 1.00 0.00 C ATOM 0 H ALA A 18 -2.110 -7.438 4.731 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.211 -9.366 5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.536 -7.647 3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.606 -6.954 5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.044 -6.732 3.505 1.00 0.00 H new ATOM 260 N TYR A 19 -2.676 -9.117 2.148 1.00 0.00 N ATOM 261 CA TYR A 19 -2.551 -9.710 0.823 1.00 0.00 C ATOM 262 C TYR A 19 -1.144 -10.274 0.605 1.00 0.00 C ATOM 263 O TYR A 19 -0.385 -9.758 -0.211 1.00 0.00 O ATOM 264 CB TYR A 19 -2.865 -8.663 -0.252 1.00 0.00 C ATOM 265 CG TYR A 19 -4.251 -8.064 -0.141 1.00 0.00 C ATOM 266 CD1 TYR A 19 -5.361 -8.734 -0.638 1.00 0.00 C ATOM 267 CD2 TYR A 19 -4.447 -6.830 0.468 1.00 0.00 C ATOM 268 CE1 TYR A 19 -6.628 -8.191 -0.533 1.00 0.00 C ATOM 269 CE2 TYR A 19 -5.708 -6.282 0.579 1.00 0.00 C ATOM 270 CZ TYR A 19 -6.797 -6.964 0.077 1.00 0.00 C ATOM 271 OH TYR A 19 -8.058 -6.418 0.189 1.00 0.00 O ATOM 0 H TYR A 19 -1.930 -8.465 2.391 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.265 -10.530 0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.128 -7.862 -0.191 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.756 -9.122 -1.235 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.232 -9.695 -1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.598 -6.291 0.861 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.481 -8.724 -0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.842 -5.323 1.057 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.216 -5.803 -0.558 1.00 0.00 H new ATOM 280 N PRO A 20 -0.778 -11.356 1.315 1.00 0.00 N ATOM 281 CA PRO A 20 0.545 -11.972 1.177 1.00 0.00 C ATOM 282 C PRO A 20 0.668 -12.765 -0.118 1.00 0.00 C ATOM 283 O PRO A 20 1.767 -13.063 -0.582 1.00 0.00 O ATOM 284 CB PRO A 20 0.625 -12.905 2.384 1.00 0.00 C ATOM 285 CG PRO A 20 -0.790 -13.266 2.683 1.00 0.00 C ATOM 286 CD PRO A 20 -1.619 -12.069 2.300 1.00 0.00 C ATOM 0 HA PRO A 20 1.345 -11.233 1.141 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.220 -13.790 2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.095 -12.412 3.235 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.095 -14.147 2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.916 -13.505 3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.575 -12.366 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.840 -11.443 3.164 1.00 0.00 H new ATOM 291 N ASP A 21 -0.480 -13.083 -0.695 1.00 0.00 N ATOM 292 CA ASP A 21 -0.552 -13.868 -1.917 1.00 0.00 C ATOM 293 C ASP A 21 -0.488 -12.969 -3.148 1.00 0.00 C ATOM 294 O ASP A 21 -0.480 -13.452 -4.284 1.00 0.00 O ATOM 295 CB ASP A 21 -1.845 -14.683 -1.928 1.00 0.00 C ATOM 296 CG ASP A 21 -3.083 -13.810 -1.817 1.00 0.00 C ATOM 297 OD1 ASP A 21 -3.309 -13.220 -0.735 1.00 0.00 O ATOM 298 OD2 ASP A 21 -3.834 -13.705 -2.809 1.00 0.00 O ATOM 0 H ASP A 21 -1.390 -12.803 -0.328 1.00 0.00 H new ATOM 0 HA ASP A 21 0.303 -14.543 -1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.896 -15.265 -2.848 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.830 -15.394 -1.102 1.00 0.00 H new ATOM 302 N LEU A 22 -0.440 -11.666 -2.919 1.00 0.00 N ATOM 303 CA LEU A 22 -0.348 -10.702 -4.006 1.00 0.00 C ATOM 304 C LEU A 22 1.103 -10.321 -4.263 1.00 0.00 C ATOM 305 O LEU A 22 1.839 -9.983 -3.335 1.00 0.00 O ATOM 306 CB LEU A 22 -1.168 -9.443 -3.701 1.00 0.00 C ATOM 307 CG LEU A 22 -2.586 -9.410 -4.286 1.00 0.00 C ATOM 308 CD1 LEU A 22 -2.542 -9.565 -5.800 1.00 0.00 C ATOM 309 CD2 LEU A 22 -3.463 -10.486 -3.671 1.00 0.00 C ATOM 0 H LEU A 22 -0.463 -11.250 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.757 -11.173 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.239 -9.332 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.621 -8.577 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.023 -8.441 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.556 -9.539 -6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.962 -8.750 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.076 -10.517 -6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.461 -10.435 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.030 -11.466 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.529 -10.330 -2.594 1.00 0.00 H new ATOM 320 N ASP A 23 1.507 -10.392 -5.525 1.00 0.00 N ATOM 321 CA ASP A 23 2.858 -10.021 -5.926 1.00 0.00 C ATOM 322 C ASP A 23 2.944 -8.522 -6.164 1.00 0.00 C ATOM 323 O ASP A 23 2.332 -8.002 -7.096 1.00 0.00 O ATOM 324 CB ASP A 23 3.274 -10.759 -7.203 1.00 0.00 C ATOM 325 CG ASP A 23 3.405 -12.254 -7.003 1.00 0.00 C ATOM 326 OD1 ASP A 23 2.373 -12.956 -7.047 1.00 0.00 O ATOM 327 OD2 ASP A 23 4.541 -12.739 -6.820 1.00 0.00 O ATOM 0 H ASP A 23 0.914 -10.705 -6.293 1.00 0.00 H new ATOM 0 HA ASP A 23 3.534 -10.303 -5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.539 -10.565 -7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.226 -10.360 -7.554 1.00 0.00 H new ATOM 331 N PRO A 24 3.715 -7.809 -5.333 1.00 0.00 N ATOM 332 CA PRO A 24 3.869 -6.353 -5.443 1.00 0.00 C ATOM 333 C PRO A 24 4.447 -5.934 -6.793 1.00 0.00 C ATOM 334 O PRO A 24 4.350 -4.776 -7.194 1.00 0.00 O ATOM 335 CB PRO A 24 4.838 -6.003 -4.310 1.00 0.00 C ATOM 336 CG PRO A 24 5.506 -7.289 -3.949 1.00 0.00 C ATOM 337 CD PRO A 24 4.498 -8.365 -4.217 1.00 0.00 C ATOM 0 HA PRO A 24 2.912 -5.837 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.566 -5.259 -4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.308 -5.582 -3.456 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.407 -7.441 -4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.810 -7.291 -2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.975 -9.307 -4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.875 -8.562 -3.345 1.00 0.00 H new ATOM 342 N LYS A 25 5.047 -6.891 -7.490 1.00 0.00 N ATOM 343 CA LYS A 25 5.590 -6.649 -8.816 1.00 0.00 C ATOM 344 C LYS A 25 4.464 -6.329 -9.795 1.00 0.00 C ATOM 345 O LYS A 25 4.529 -5.344 -10.535 1.00 0.00 O ATOM 346 CB LYS A 25 6.365 -7.875 -9.308 1.00 0.00 C ATOM 347 CG LYS A 25 7.468 -8.331 -8.364 1.00 0.00 C ATOM 348 CD LYS A 25 8.127 -9.603 -8.866 1.00 0.00 C ATOM 349 CE LYS A 25 9.113 -10.167 -7.853 1.00 0.00 C ATOM 350 NZ LYS A 25 10.283 -9.276 -7.638 1.00 0.00 N ATOM 0 H LYS A 25 5.169 -7.846 -7.154 1.00 0.00 H new ATOM 0 HA LYS A 25 6.270 -5.799 -8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.666 -8.698 -9.457 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.803 -7.649 -10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.216 -7.544 -8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.053 -8.501 -7.370 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.361 -10.348 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.645 -9.398 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.602 -10.325 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.461 -11.142 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.940 -9.721 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.769 -9.117 -8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.960 -8.365 -7.254 1.00 0.00 H new ATOM 360 N THR A 26 3.422 -7.151 -9.775 1.00 0.00 N ATOM 361 CA THR A 26 2.321 -7.017 -10.716 1.00 0.00 C ATOM 362 C THR A 26 1.248 -6.057 -10.205 1.00 0.00 C ATOM 363 O THR A 26 0.488 -5.496 -10.996 1.00 0.00 O ATOM 364 CB THR A 26 1.692 -8.389 -11.029 1.00 0.00 C ATOM 365 OG1 THR A 26 1.509 -9.135 -9.818 1.00 0.00 O ATOM 366 CG2 THR A 26 2.569 -9.178 -11.990 1.00 0.00 C ATOM 0 H THR A 26 3.318 -7.920 -9.113 1.00 0.00 H new ATOM 0 HA THR A 26 2.737 -6.600 -11.633 1.00 0.00 H new ATOM 0 HB THR A 26 0.723 -8.221 -11.499 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.108 -10.004 -10.027 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.106 -10.143 -12.197 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.680 -8.622 -12.921 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.550 -9.335 -11.542 1.00 0.00 H new ATOM 374 N VAL A 27 1.187 -5.868 -8.888 1.00 0.00 N ATOM 375 CA VAL A 27 0.242 -4.919 -8.303 1.00 0.00 C ATOM 376 C VAL A 27 0.551 -3.505 -8.779 1.00 0.00 C ATOM 377 O VAL A 27 1.635 -2.972 -8.529 1.00 0.00 O ATOM 378 CB VAL A 27 0.249 -4.952 -6.755 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.712 -3.919 -6.186 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.112 -6.337 -6.247 1.00 0.00 C ATOM 0 H VAL A 27 1.775 -6.355 -8.211 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.751 -5.218 -8.637 1.00 0.00 H new ATOM 0 HB VAL A 27 1.257 -4.708 -6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.689 -3.962 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.414 -2.924 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.722 -4.130 -6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.101 -6.339 -5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.107 -6.606 -6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.613 -7.061 -6.618 1.00 0.00 H new ATOM 390 N ARG A 28 -0.398 -2.914 -9.484 1.00 0.00 N ATOM 391 CA ARG A 28 -0.229 -1.575 -10.020 1.00 0.00 C ATOM 392 C ARG A 28 -0.674 -0.549 -8.984 1.00 0.00 C ATOM 393 O ARG A 28 -1.415 -0.898 -8.062 1.00 0.00 O ATOM 394 CB ARG A 28 -1.030 -1.428 -11.317 1.00 0.00 C ATOM 395 CG ARG A 28 -0.867 -2.621 -12.251 1.00 0.00 C ATOM 396 CD ARG A 28 -1.731 -2.503 -13.496 1.00 0.00 C ATOM 397 NE ARG A 28 -1.871 -3.791 -14.173 1.00 0.00 N ATOM 398 CZ ARG A 28 -1.548 -4.015 -15.442 1.00 0.00 C ATOM 399 NH1 ARG A 28 -1.075 -3.038 -16.203 1.00 0.00 N ATOM 400 NH2 ARG A 28 -1.712 -5.229 -15.955 1.00 0.00 N ATOM 0 H ARG A 28 -1.298 -3.343 -9.699 1.00 0.00 H new ATOM 0 HA ARG A 28 0.823 -1.402 -10.248 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.085 -1.304 -11.075 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.713 -0.522 -11.834 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.179 -2.709 -12.545 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.126 -3.535 -11.717 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.716 -2.125 -13.222 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.290 -1.777 -14.179 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.243 -4.573 -13.633 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.956 -2.102 -15.816 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.830 -3.222 -17.176 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.084 -5.982 -15.375 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.466 -5.409 -16.929 1.00 0.00 H new ATOM 411 N PHE A 29 -0.242 0.697 -9.120 1.00 0.00 N ATOM 412 CA PHE A 29 -0.514 1.707 -8.095 1.00 0.00 C ATOM 413 C PHE A 29 -2.014 1.878 -7.876 1.00 0.00 C ATOM 414 O PHE A 29 -2.474 2.002 -6.739 1.00 0.00 O ATOM 415 CB PHE A 29 0.126 3.046 -8.467 1.00 0.00 C ATOM 416 CG PHE A 29 1.628 2.997 -8.519 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.359 2.571 -7.422 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.307 3.383 -9.663 1.00 0.00 C ATOM 419 CE1 PHE A 29 3.739 2.530 -7.467 1.00 0.00 C ATOM 420 CE2 PHE A 29 3.687 3.344 -9.712 1.00 0.00 C ATOM 421 CZ PHE A 29 4.404 2.917 -8.613 1.00 0.00 C ATOM 0 H PHE A 29 0.293 1.035 -9.920 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.071 1.360 -7.162 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.253 3.364 -9.438 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.180 3.800 -7.742 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.845 2.268 -6.522 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.751 3.718 -10.526 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.298 2.195 -6.606 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.204 3.648 -10.610 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.483 2.886 -8.649 1.00 0.00 H new ATOM 430 N THR A 30 -2.771 1.842 -8.963 1.00 0.00 N ATOM 431 CA THR A 30 -4.221 1.979 -8.905 1.00 0.00 C ATOM 432 C THR A 30 -4.860 0.854 -8.093 1.00 0.00 C ATOM 433 O THR A 30 -5.737 1.089 -7.261 1.00 0.00 O ATOM 434 CB THR A 30 -4.813 1.978 -10.323 1.00 0.00 C ATOM 435 OG1 THR A 30 -4.212 0.930 -11.102 1.00 0.00 O ATOM 436 CG2 THR A 30 -4.586 3.319 -11.006 1.00 0.00 C ATOM 0 H THR A 30 -2.401 1.718 -9.905 1.00 0.00 H new ATOM 0 HA THR A 30 -4.439 2.927 -8.413 1.00 0.00 H new ATOM 0 HB THR A 30 -5.887 1.806 -10.246 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.510 0.060 -10.765 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.014 3.294 -12.008 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.065 4.108 -10.427 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.516 3.517 -11.073 1.00 0.00 H new ATOM 444 N ASP A 31 -4.400 -0.363 -8.333 1.00 0.00 N ATOM 445 CA ASP A 31 -4.955 -1.543 -7.682 1.00 0.00 C ATOM 446 C ASP A 31 -4.539 -1.580 -6.219 1.00 0.00 C ATOM 447 O ASP A 31 -5.305 -1.988 -5.349 1.00 0.00 O ATOM 448 CB ASP A 31 -4.483 -2.807 -8.406 1.00 0.00 C ATOM 449 CG ASP A 31 -4.819 -2.781 -9.886 1.00 0.00 C ATOM 450 OD1 ASP A 31 -4.167 -2.019 -10.636 1.00 0.00 O ATOM 451 OD2 ASP A 31 -5.742 -3.507 -10.307 1.00 0.00 O ATOM 0 H ASP A 31 -3.637 -0.562 -8.980 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.043 -1.498 -7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.405 -2.913 -8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.945 -3.681 -7.946 1.00 0.00 H new ATOM 455 N MET A 32 -3.320 -1.134 -5.960 1.00 0.00 N ATOM 456 CA MET A 32 -2.814 -1.015 -4.601 1.00 0.00 C ATOM 457 C MET A 32 -3.609 0.049 -3.853 1.00 0.00 C ATOM 458 O MET A 32 -3.925 -0.106 -2.671 1.00 0.00 O ATOM 459 CB MET A 32 -1.336 -0.630 -4.629 1.00 0.00 C ATOM 460 CG MET A 32 -0.586 -1.003 -3.368 1.00 0.00 C ATOM 461 SD MET A 32 0.996 -0.157 -3.228 1.00 0.00 S ATOM 462 CE MET A 32 0.446 1.534 -3.025 1.00 0.00 C ATOM 0 H MET A 32 -2.657 -0.846 -6.680 1.00 0.00 H new ATOM 0 HA MET A 32 -2.922 -1.973 -4.092 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.860 -1.114 -5.481 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.253 0.445 -4.786 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.200 -0.763 -2.500 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.420 -2.080 -3.353 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.165 2.209 -3.489 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.527 1.659 -3.499 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.364 1.765 -1.963 1.00 0.00 H new ATOM 470 N HIS A 33 -3.943 1.126 -4.566 1.00 0.00 N ATOM 471 CA HIS A 33 -4.735 2.213 -4.004 1.00 0.00 C ATOM 472 C HIS A 33 -6.125 1.722 -3.625 1.00 0.00 C ATOM 473 O HIS A 33 -6.688 2.166 -2.631 1.00 0.00 O ATOM 474 CB HIS A 33 -4.850 3.381 -4.995 1.00 0.00 C ATOM 475 CG HIS A 33 -5.565 4.579 -4.437 1.00 0.00 C ATOM 476 ND1 HIS A 33 -6.862 4.917 -4.762 1.00 0.00 N ATOM 477 CD2 HIS A 33 -5.146 5.522 -3.564 1.00 0.00 C ATOM 478 CE1 HIS A 33 -7.205 6.017 -4.110 1.00 0.00 C ATOM 479 NE2 HIS A 33 -6.179 6.408 -3.377 1.00 0.00 N ATOM 0 H HIS A 33 -3.674 1.266 -5.540 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.225 2.566 -3.108 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.850 3.680 -5.309 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.375 3.039 -5.887 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.463 4.400 -5.404 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.173 5.570 -3.097 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.163 6.512 -4.168 1.00 0.00 H new ATOM 487 N GLN A 34 -6.660 0.802 -4.417 1.00 0.00 N ATOM 488 CA GLN A 34 -7.988 0.248 -4.176 1.00 0.00 C ATOM 489 C GLN A 34 -8.085 -0.319 -2.772 1.00 0.00 C ATOM 490 O GLN A 34 -8.985 0.027 -2.002 1.00 0.00 O ATOM 491 CB GLN A 34 -8.282 -0.859 -5.189 1.00 0.00 C ATOM 492 CG GLN A 34 -9.655 -1.495 -5.030 1.00 0.00 C ATOM 493 CD GLN A 34 -10.793 -0.512 -5.231 1.00 0.00 C ATOM 494 OE1 GLN A 34 -10.588 0.469 -6.097 1.00 0.00 O flip ATOM 495 NE2 GLN A 34 -11.851 -0.643 -4.623 1.00 0.00 N flip ATOM 0 H GLN A 34 -6.191 0.421 -5.239 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.718 1.050 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.198 -0.448 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.521 -1.634 -5.096 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.756 -2.310 -5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.733 -1.933 -4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.969 -1.413 -3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.613 0.018 -4.777 1.00 0.00 H new ATOM 502 N TRP A 35 -7.145 -1.188 -2.450 1.00 0.00 N ATOM 503 CA TRP A 35 -7.129 -1.851 -1.160 1.00 0.00 C ATOM 504 C TRP A 35 -6.823 -0.864 -0.038 1.00 0.00 C ATOM 505 O TRP A 35 -7.552 -0.797 0.947 1.00 0.00 O ATOM 506 CB TRP A 35 -6.097 -2.980 -1.163 1.00 0.00 C ATOM 507 CG TRP A 35 -6.301 -3.968 -2.271 1.00 0.00 C ATOM 508 CD1 TRP A 35 -7.494 -4.415 -2.765 1.00 0.00 C ATOM 509 CD2 TRP A 35 -5.279 -4.642 -3.015 1.00 0.00 C ATOM 510 NE1 TRP A 35 -7.276 -5.324 -3.770 1.00 0.00 N ATOM 511 CE2 TRP A 35 -5.925 -5.479 -3.945 1.00 0.00 C ATOM 512 CE3 TRP A 35 -3.883 -4.619 -2.992 1.00 0.00 C ATOM 513 CZ2 TRP A 35 -5.225 -6.284 -4.839 1.00 0.00 C ATOM 514 CZ3 TRP A 35 -3.188 -5.419 -3.879 1.00 0.00 C ATOM 515 CH2 TRP A 35 -3.859 -6.239 -4.792 1.00 0.00 C ATOM 0 H TRP A 35 -6.378 -1.452 -3.069 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.119 -2.270 -0.982 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -5.099 -2.550 -1.248 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.138 -3.503 -0.207 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.466 -4.099 -2.416 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.001 -5.806 -4.301 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.356 -3.987 -2.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.741 -6.920 -5.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.108 -5.411 -3.867 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.286 -6.850 -5.474 1.00 0.00 H new ATOM 525 N ILE A 36 -5.759 -0.087 -0.206 1.00 0.00 N ATOM 526 CA ILE A 36 -5.303 0.821 0.839 1.00 0.00 C ATOM 527 C ILE A 36 -6.330 1.932 1.113 1.00 0.00 C ATOM 528 O ILE A 36 -6.513 2.345 2.254 1.00 0.00 O ATOM 529 CB ILE A 36 -3.905 1.412 0.489 1.00 0.00 C ATOM 530 CG1 ILE A 36 -3.215 1.995 1.731 1.00 0.00 C ATOM 531 CG2 ILE A 36 -3.993 2.462 -0.612 1.00 0.00 C ATOM 532 CD1 ILE A 36 -3.680 3.377 2.141 1.00 0.00 C ATOM 0 H ILE A 36 -5.196 -0.068 -1.056 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.203 0.244 1.758 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.299 0.586 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.372 1.314 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.141 2.031 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.997 2.849 -0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.408 2.011 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.637 3.279 -0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.132 3.697 3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.496 4.079 1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.747 3.351 2.364 1.00 0.00 H new ATOM 543 N CYS A 37 -7.030 2.385 0.080 1.00 0.00 N ATOM 544 CA CYS A 37 -8.005 3.457 0.249 1.00 0.00 C ATOM 545 C CYS A 37 -9.293 2.906 0.851 1.00 0.00 C ATOM 546 O CYS A 37 -10.117 3.653 1.373 1.00 0.00 O ATOM 547 CB CYS A 37 -8.289 4.142 -1.091 1.00 0.00 C ATOM 548 SG CYS A 37 -9.245 5.669 -0.964 1.00 0.00 S ATOM 0 H CYS A 37 -6.943 2.032 -0.873 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.591 4.200 0.931 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.340 4.362 -1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.826 3.445 -1.735 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.062 5.587 0.044 1.00 0.00 H new ATOM 553 N ASP A 38 -9.448 1.590 0.787 1.00 0.00 N ATOM 554 CA ASP A 38 -10.621 0.929 1.347 1.00 0.00 C ATOM 555 C ASP A 38 -10.391 0.600 2.817 1.00 0.00 C ATOM 556 O ASP A 38 -11.337 0.351 3.565 1.00 0.00 O ATOM 557 CB ASP A 38 -10.940 -0.350 0.567 1.00 0.00 C ATOM 558 CG ASP A 38 -12.192 -1.047 1.063 1.00 0.00 C ATOM 559 OD1 ASP A 38 -13.303 -0.583 0.735 1.00 0.00 O ATOM 560 OD2 ASP A 38 -12.072 -2.068 1.778 1.00 0.00 O ATOM 0 H ASP A 38 -8.776 0.958 0.352 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.470 1.608 1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.060 -0.105 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.095 -1.035 0.641 1.00 0.00 H new ATOM 564 N LEU A 39 -9.125 0.617 3.221 1.00 0.00 N ATOM 565 CA LEU A 39 -8.748 0.303 4.593 1.00 0.00 C ATOM 566 C LEU A 39 -9.440 1.241 5.571 1.00 0.00 C ATOM 567 O LEU A 39 -9.383 2.461 5.425 1.00 0.00 O ATOM 568 CB LEU A 39 -7.230 0.416 4.783 1.00 0.00 C ATOM 569 CG LEU A 39 -6.380 -0.475 3.878 1.00 0.00 C ATOM 570 CD1 LEU A 39 -4.906 -0.319 4.218 1.00 0.00 C ATOM 571 CD2 LEU A 39 -6.807 -1.927 3.998 1.00 0.00 C ATOM 0 H LEU A 39 -8.339 0.847 2.613 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.061 -0.722 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.938 1.453 4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.994 0.179 5.820 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.532 -0.162 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.312 -0.959 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.608 0.720 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.740 -0.605 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.189 -2.543 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.687 -2.257 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.852 -2.024 3.705 1.00 0.00 H new ATOM 582 N GLU A 40 -10.090 0.662 6.565 1.00 0.00 N ATOM 583 CA GLU A 40 -10.757 1.438 7.597 1.00 0.00 C ATOM 584 C GLU A 40 -9.744 1.882 8.647 1.00 0.00 C ATOM 585 O GLU A 40 -10.015 2.767 9.457 1.00 0.00 O ATOM 586 CB GLU A 40 -11.880 0.614 8.230 1.00 0.00 C ATOM 587 CG GLU A 40 -11.397 -0.650 8.919 1.00 0.00 C ATOM 588 CD GLU A 40 -12.525 -1.604 9.236 1.00 0.00 C ATOM 589 OE1 GLU A 40 -12.859 -2.441 8.371 1.00 0.00 O ATOM 590 OE2 GLU A 40 -13.081 -1.519 10.348 1.00 0.00 O ATOM 0 H GLU A 40 -10.171 -0.348 6.680 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.200 2.328 7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.408 1.233 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.600 0.344 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.669 -1.152 8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.882 -0.383 9.841 1.00 0.00 H new ATOM 595 N ASP A 41 -8.576 1.250 8.626 1.00 0.00 N ATOM 596 CA ASP A 41 -7.465 1.681 9.466 1.00 0.00 C ATOM 597 C ASP A 41 -6.789 2.882 8.823 1.00 0.00 C ATOM 598 O ASP A 41 -6.060 3.635 9.470 1.00 0.00 O ATOM 599 CB ASP A 41 -6.448 0.550 9.665 1.00 0.00 C ATOM 600 CG ASP A 41 -7.021 -0.633 10.422 1.00 0.00 C ATOM 601 OD1 ASP A 41 -7.310 -0.492 11.628 1.00 0.00 O ATOM 602 OD2 ASP A 41 -7.195 -1.711 9.810 1.00 0.00 O ATOM 0 H ASP A 41 -8.374 0.441 8.039 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.855 1.955 10.446 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.091 0.214 8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.584 0.936 10.205 1.00 0.00 H new ATOM 606 N PHE A 42 -7.042 3.050 7.532 1.00 0.00 N ATOM 607 CA PHE A 42 -6.562 4.205 6.796 1.00 0.00 C ATOM 608 C PHE A 42 -7.562 5.349 6.903 1.00 0.00 C ATOM 609 O PHE A 42 -8.755 5.167 6.657 1.00 0.00 O ATOM 610 CB PHE A 42 -6.327 3.842 5.325 1.00 0.00 C ATOM 611 CG PHE A 42 -6.199 5.033 4.418 1.00 0.00 C ATOM 612 CD1 PHE A 42 -5.066 5.829 4.448 1.00 0.00 C ATOM 613 CD2 PHE A 42 -7.220 5.362 3.540 1.00 0.00 C ATOM 614 CE1 PHE A 42 -4.954 6.929 3.621 1.00 0.00 C ATOM 615 CE2 PHE A 42 -7.114 6.462 2.712 1.00 0.00 C ATOM 616 CZ PHE A 42 -5.980 7.246 2.752 1.00 0.00 C ATOM 0 H PHE A 42 -7.583 2.392 6.971 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.615 4.525 7.230 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.421 3.241 5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.152 3.220 4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.261 5.587 5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.109 4.750 3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.065 7.541 3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.918 6.708 2.034 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.894 8.106 2.105 1.00 0.00 H new ATOM 625 N ASP A 43 -7.072 6.520 7.279 1.00 0.00 N ATOM 626 CA ASP A 43 -7.910 7.706 7.348 1.00 0.00 C ATOM 627 C ASP A 43 -7.048 8.952 7.332 1.00 0.00 C ATOM 628 O ASP A 43 -6.352 9.251 8.305 1.00 0.00 O ATOM 629 CB ASP A 43 -8.783 7.706 8.604 1.00 0.00 C ATOM 630 CG ASP A 43 -9.821 8.814 8.567 1.00 0.00 C ATOM 631 OD1 ASP A 43 -9.508 9.949 8.985 1.00 0.00 O ATOM 632 OD2 ASP A 43 -10.956 8.556 8.109 1.00 0.00 O ATOM 0 H ASP A 43 -6.098 6.674 7.541 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.566 7.699 6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.283 6.742 8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.153 7.827 9.485 1.00 0.00 H new ATOM 636 N ASP A 44 -7.091 9.663 6.218 1.00 0.00 N ATOM 637 CA ASP A 44 -6.338 10.899 6.055 1.00 0.00 C ATOM 638 C ASP A 44 -6.894 11.692 4.877 1.00 0.00 C ATOM 639 O ASP A 44 -7.735 12.571 5.063 1.00 0.00 O ATOM 640 CB ASP A 44 -4.842 10.601 5.877 1.00 0.00 C ATOM 641 CG ASP A 44 -4.026 11.825 5.506 1.00 0.00 C ATOM 642 OD1 ASP A 44 -3.744 12.655 6.392 1.00 0.00 O ATOM 643 OD2 ASP A 44 -3.632 11.950 4.333 1.00 0.00 O ATOM 0 H ASP A 44 -7.646 9.403 5.403 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.445 11.505 6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.450 10.179 6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.719 9.843 5.103 1.00 0.00 H new ATOM 647 N ASP A 45 -6.448 11.370 3.672 1.00 0.00 N ATOM 648 CA ASP A 45 -6.975 11.999 2.470 1.00 0.00 C ATOM 649 C ASP A 45 -6.960 11.006 1.312 1.00 0.00 C ATOM 650 O ASP A 45 -5.897 10.603 0.850 1.00 0.00 O ATOM 651 CB ASP A 45 -6.159 13.242 2.109 1.00 0.00 C ATOM 652 CG ASP A 45 -6.776 14.021 0.968 1.00 0.00 C ATOM 653 OD1 ASP A 45 -6.634 13.591 -0.189 1.00 0.00 O ATOM 654 OD2 ASP A 45 -7.403 15.070 1.225 1.00 0.00 O ATOM 0 H ASP A 45 -5.721 10.675 3.500 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.003 12.306 2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.077 13.887 2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.147 12.943 1.837 1.00 0.00 H new ATOM 658 N PRO A 46 -8.139 10.603 0.822 1.00 0.00 N ATOM 659 CA PRO A 46 -8.261 9.601 -0.248 1.00 0.00 C ATOM 660 C PRO A 46 -7.905 10.138 -1.635 1.00 0.00 C ATOM 661 O PRO A 46 -7.995 9.410 -2.625 1.00 0.00 O ATOM 662 CB PRO A 46 -9.739 9.221 -0.194 1.00 0.00 C ATOM 663 CG PRO A 46 -10.425 10.431 0.336 1.00 0.00 C ATOM 664 CD PRO A 46 -9.454 11.085 1.282 1.00 0.00 C ATOM 0 HA PRO A 46 -7.571 8.772 -0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.115 8.954 -1.182 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.902 8.359 0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.697 11.109 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.348 10.161 0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.521 12.172 1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.647 10.797 2.316 1.00 0.00 H new ATOM 669 N GLN A 47 -7.504 11.402 -1.711 1.00 0.00 N ATOM 670 CA GLN A 47 -7.225 12.030 -2.991 1.00 0.00 C ATOM 671 C GLN A 47 -5.732 12.292 -3.182 1.00 0.00 C ATOM 672 O GLN A 47 -5.213 12.153 -4.287 1.00 0.00 O ATOM 673 CB GLN A 47 -7.996 13.341 -3.100 1.00 0.00 C ATOM 674 CG GLN A 47 -9.481 13.197 -2.854 1.00 0.00 C ATOM 675 CD GLN A 47 -10.232 14.499 -3.042 1.00 0.00 C ATOM 676 OE1 GLN A 47 -9.851 15.337 -3.858 1.00 0.00 O ATOM 677 NE2 GLN A 47 -11.297 14.685 -2.281 1.00 0.00 N ATOM 0 H GLN A 47 -7.366 12.008 -0.902 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.545 11.344 -3.775 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.586 14.054 -2.384 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.841 13.762 -4.093 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.887 12.447 -3.533 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.644 12.831 -1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.581 13.965 -1.616 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.835 15.548 -2.359 1.00 0.00 H new ATOM 684 N ALA A 48 -5.038 12.646 -2.104 1.00 0.00 N ATOM 685 CA ALA A 48 -3.620 12.999 -2.186 1.00 0.00 C ATOM 686 C ALA A 48 -2.716 11.780 -2.136 1.00 0.00 C ATOM 687 O ALA A 48 -1.615 11.832 -1.581 1.00 0.00 O ATOM 688 CB ALA A 48 -3.230 13.947 -1.073 1.00 0.00 C ATOM 0 H ALA A 48 -5.432 12.697 -1.164 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.485 13.488 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.171 14.192 -1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.821 14.860 -1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.416 13.473 -0.109 1.00 0.00 H new ATOM 694 N SER A 49 -3.162 10.688 -2.714 1.00 0.00 N ATOM 695 CA SER A 49 -2.333 9.513 -2.827 1.00 0.00 C ATOM 696 C SER A 49 -1.377 9.682 -3.997 1.00 0.00 C ATOM 697 O SER A 49 -1.467 8.975 -5.003 1.00 0.00 O ATOM 698 CB SER A 49 -3.212 8.278 -3.003 1.00 0.00 C ATOM 699 OG SER A 49 -4.356 8.579 -3.788 1.00 0.00 O ATOM 0 H SER A 49 -4.096 10.590 -3.113 1.00 0.00 H new ATOM 0 HA SER A 49 -1.745 9.382 -1.919 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.638 7.483 -3.479 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.523 7.906 -2.027 1.00 0.00 H new ATOM 0 HG SER A 49 -5.078 7.954 -3.567 1.00 0.00 H new ATOM 704 N ASN A 50 -0.495 10.672 -3.866 1.00 0.00 N ATOM 705 CA ASN A 50 0.528 10.947 -4.874 1.00 0.00 C ATOM 706 C ASN A 50 1.280 9.685 -5.283 1.00 0.00 C ATOM 707 O ASN A 50 1.435 8.752 -4.491 1.00 0.00 O ATOM 708 CB ASN A 50 1.519 11.995 -4.364 1.00 0.00 C ATOM 709 CG ASN A 50 0.971 13.405 -4.448 1.00 0.00 C ATOM 710 OD1 ASN A 50 0.190 13.726 -5.343 1.00 0.00 O ATOM 711 ND2 ASN A 50 1.382 14.255 -3.522 1.00 0.00 N ATOM 0 H ASN A 50 -0.469 11.302 -3.064 1.00 0.00 H new ATOM 0 HA ASN A 50 0.013 11.333 -5.754 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.778 11.771 -3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.440 11.932 -4.944 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.051 15.220 -3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.030 13.946 -2.798 1.00 0.00 H new ATOM 717 N GLU A 51 1.757 9.671 -6.519 1.00 0.00 N ATOM 718 CA GLU A 51 2.426 8.504 -7.079 1.00 0.00 C ATOM 719 C GLU A 51 3.664 8.141 -6.265 1.00 0.00 C ATOM 720 O GLU A 51 3.907 6.969 -5.988 1.00 0.00 O ATOM 721 CB GLU A 51 2.798 8.767 -8.538 1.00 0.00 C ATOM 722 CG GLU A 51 1.596 9.095 -9.407 1.00 0.00 C ATOM 723 CD GLU A 51 1.976 9.416 -10.835 1.00 0.00 C ATOM 724 OE1 GLU A 51 2.414 10.556 -11.097 1.00 0.00 O ATOM 725 OE2 GLU A 51 1.834 8.536 -11.705 1.00 0.00 O ATOM 0 H GLU A 51 1.692 10.462 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 51 1.740 7.658 -7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.508 9.593 -8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.303 7.890 -8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.907 8.250 -9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.064 9.944 -8.978 1.00 0.00 H new ATOM 730 N LYS A 52 4.424 9.153 -5.852 1.00 0.00 N ATOM 731 CA LYS A 52 5.617 8.932 -5.037 1.00 0.00 C ATOM 732 C LYS A 52 5.241 8.325 -3.690 1.00 0.00 C ATOM 733 O LYS A 52 5.992 7.529 -3.119 1.00 0.00 O ATOM 734 CB LYS A 52 6.373 10.242 -4.823 1.00 0.00 C ATOM 735 CG LYS A 52 6.792 10.912 -6.120 1.00 0.00 C ATOM 736 CD LYS A 52 7.643 12.140 -5.863 1.00 0.00 C ATOM 737 CE LYS A 52 8.019 12.835 -7.161 1.00 0.00 C ATOM 738 NZ LYS A 52 9.010 13.918 -6.939 1.00 0.00 N ATOM 0 H LYS A 52 4.236 10.132 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 52 6.265 8.235 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.745 10.928 -4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.260 10.047 -4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.350 10.204 -6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.905 11.195 -6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.099 12.833 -5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.548 11.852 -5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.429 12.105 -7.859 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.124 13.251 -7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.241 14.368 -7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.610 14.628 -6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.874 13.518 -6.521 1.00 0.00 H new ATOM 748 N ILE A 53 4.074 8.711 -3.192 1.00 0.00 N ATOM 749 CA ILE A 53 3.523 8.130 -1.977 1.00 0.00 C ATOM 750 C ILE A 53 3.288 6.639 -2.171 1.00 0.00 C ATOM 751 O ILE A 53 3.788 5.811 -1.407 1.00 0.00 O ATOM 752 CB ILE A 53 2.180 8.796 -1.596 1.00 0.00 C ATOM 753 CG1 ILE A 53 2.386 10.260 -1.208 1.00 0.00 C ATOM 754 CG2 ILE A 53 1.504 8.034 -0.468 1.00 0.00 C ATOM 755 CD1 ILE A 53 3.071 10.444 0.128 1.00 0.00 C ATOM 0 H ILE A 53 3.487 9.430 -3.615 1.00 0.00 H new ATOM 0 HA ILE A 53 4.243 8.298 -1.176 1.00 0.00 H new ATOM 0 HB ILE A 53 1.529 8.766 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.977 10.752 -1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.418 10.760 -1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.561 8.519 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.311 7.009 -0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.154 8.027 0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.183 11.508 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.470 9.982 0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.054 9.974 0.100 1.00 0.00 H new ATOM 766 N LEU A 54 2.541 6.314 -3.217 1.00 0.00 N ATOM 767 CA LEU A 54 2.179 4.936 -3.511 1.00 0.00 C ATOM 768 C LEU A 54 3.407 4.095 -3.835 1.00 0.00 C ATOM 769 O LEU A 54 3.471 2.920 -3.481 1.00 0.00 O ATOM 770 CB LEU A 54 1.192 4.889 -4.677 1.00 0.00 C ATOM 771 CG LEU A 54 -0.120 5.646 -4.450 1.00 0.00 C ATOM 772 CD1 LEU A 54 -1.021 5.535 -5.670 1.00 0.00 C ATOM 773 CD2 LEU A 54 -0.834 5.127 -3.208 1.00 0.00 C ATOM 0 H LEU A 54 2.171 6.994 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 54 1.708 4.517 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.680 5.297 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.959 3.846 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 54 0.117 6.698 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.948 6.079 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.514 5.960 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.248 4.486 -5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.763 5.678 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.056 4.067 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.194 5.264 -2.336 1.00 0.00 H new ATOM 784 N GLU A 55 4.381 4.700 -4.503 1.00 0.00 N ATOM 785 CA GLU A 55 5.601 3.998 -4.870 1.00 0.00 C ATOM 786 C GLU A 55 6.347 3.523 -3.629 1.00 0.00 C ATOM 787 O GLU A 55 6.816 2.393 -3.583 1.00 0.00 O ATOM 788 CB GLU A 55 6.507 4.887 -5.723 1.00 0.00 C ATOM 789 CG GLU A 55 7.733 4.163 -6.256 1.00 0.00 C ATOM 790 CD GLU A 55 8.526 5.003 -7.229 1.00 0.00 C ATOM 791 OE1 GLU A 55 8.210 4.977 -8.434 1.00 0.00 O ATOM 792 OE2 GLU A 55 9.470 5.696 -6.797 1.00 0.00 O ATOM 0 H GLU A 55 4.349 5.675 -4.801 1.00 0.00 H new ATOM 0 HA GLU A 55 5.319 3.126 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.933 5.280 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.829 5.742 -5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.374 3.878 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.421 3.241 -6.747 1.00 0.00 H new ATOM 797 N ALA A 56 6.430 4.381 -2.618 1.00 0.00 N ATOM 798 CA ALA A 56 7.104 4.028 -1.371 1.00 0.00 C ATOM 799 C ALA A 56 6.428 2.830 -0.706 1.00 0.00 C ATOM 800 O ALA A 56 7.085 1.973 -0.118 1.00 0.00 O ATOM 801 CB ALA A 56 7.122 5.217 -0.423 1.00 0.00 C ATOM 0 H ALA A 56 6.041 5.324 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 56 8.132 3.752 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.628 4.938 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.652 6.047 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.099 5.520 -0.200 1.00 0.00 H new ATOM 807 N ILE A 57 5.109 2.779 -0.824 1.00 0.00 N ATOM 808 CA ILE A 57 4.321 1.692 -0.255 1.00 0.00 C ATOM 809 C ILE A 57 4.518 0.412 -1.068 1.00 0.00 C ATOM 810 O ILE A 57 4.520 -0.693 -0.528 1.00 0.00 O ATOM 811 CB ILE A 57 2.824 2.069 -0.220 1.00 0.00 C ATOM 812 CG1 ILE A 57 2.641 3.395 0.529 1.00 0.00 C ATOM 813 CG2 ILE A 57 2.005 0.966 0.438 1.00 0.00 C ATOM 814 CD1 ILE A 57 1.245 3.972 0.428 1.00 0.00 C ATOM 0 H ILE A 57 4.557 3.484 -1.313 1.00 0.00 H new ATOM 0 HA ILE A 57 4.662 1.519 0.766 1.00 0.00 H new ATOM 0 HB ILE A 57 2.468 2.187 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.885 3.243 1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.353 4.122 0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.953 1.253 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.121 0.041 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.353 0.814 1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.197 4.909 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.003 4.158 -0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.528 3.265 0.846 1.00 0.00 H new ATOM 825 N LEU A 58 4.702 0.576 -2.369 1.00 0.00 N ATOM 826 CA LEU A 58 4.939 -0.553 -3.257 1.00 0.00 C ATOM 827 C LEU A 58 6.364 -1.078 -3.058 1.00 0.00 C ATOM 828 O LEU A 58 6.598 -2.287 -3.039 1.00 0.00 O ATOM 829 CB LEU A 58 4.698 -0.114 -4.714 1.00 0.00 C ATOM 830 CG LEU A 58 4.416 -1.230 -5.733 1.00 0.00 C ATOM 831 CD1 LEU A 58 5.680 -1.997 -6.081 1.00 0.00 C ATOM 832 CD2 LEU A 58 3.343 -2.172 -5.207 1.00 0.00 C ATOM 0 H LEU A 58 4.692 1.483 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 58 4.249 -1.364 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.856 0.579 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.573 0.442 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 58 4.052 -0.763 -6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.444 -2.778 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.413 -1.314 -6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.091 -2.450 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.156 -2.956 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.680 -2.622 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.424 -1.614 -5.030 1.00 0.00 H new ATOM 843 N LEU A 59 7.308 -0.155 -2.881 1.00 0.00 N ATOM 844 CA LEU A 59 8.715 -0.502 -2.682 1.00 0.00 C ATOM 845 C LEU A 59 8.912 -1.366 -1.442 1.00 0.00 C ATOM 846 O LEU A 59 9.626 -2.369 -1.486 1.00 0.00 O ATOM 847 CB LEU A 59 9.574 0.760 -2.567 1.00 0.00 C ATOM 848 CG LEU A 59 9.687 1.595 -3.843 1.00 0.00 C ATOM 849 CD1 LEU A 59 10.479 2.866 -3.577 1.00 0.00 C ATOM 850 CD2 LEU A 59 10.335 0.788 -4.957 1.00 0.00 C ATOM 0 H LEU A 59 7.122 0.848 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 59 9.030 -1.075 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.163 1.388 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.577 0.469 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 59 8.682 1.873 -4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.550 3.449 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.975 3.455 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.480 2.606 -3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.406 1.400 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.334 0.479 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.730 -0.095 -5.166 1.00 0.00 H new ATOM 861 N VAL A 60 8.283 -0.982 -0.336 1.00 0.00 N ATOM 862 CA VAL A 60 8.410 -1.749 0.898 1.00 0.00 C ATOM 863 C VAL A 60 7.779 -3.129 0.733 1.00 0.00 C ATOM 864 O VAL A 60 8.292 -4.122 1.244 1.00 0.00 O ATOM 865 CB VAL A 60 7.793 -1.014 2.117 1.00 0.00 C ATOM 866 CG1 VAL A 60 6.302 -0.782 1.943 1.00 0.00 C ATOM 867 CG2 VAL A 60 8.069 -1.780 3.403 1.00 0.00 C ATOM 0 H VAL A 60 7.688 -0.156 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 60 9.476 -1.862 1.098 1.00 0.00 H new ATOM 0 HB VAL A 60 8.270 -0.036 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.910 -0.265 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.130 -0.174 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.795 -1.740 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.628 -1.247 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.632 -2.776 3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.145 -1.866 3.552 1.00 0.00 H new ATOM 877 N TRP A 61 6.690 -3.191 -0.028 1.00 0.00 N ATOM 878 CA TRP A 61 6.018 -4.452 -0.302 1.00 0.00 C ATOM 879 C TRP A 61 6.945 -5.370 -1.098 1.00 0.00 C ATOM 880 O TRP A 61 7.067 -6.555 -0.794 1.00 0.00 O ATOM 881 CB TRP A 61 4.716 -4.198 -1.073 1.00 0.00 C ATOM 882 CG TRP A 61 3.724 -5.323 -1.000 1.00 0.00 C ATOM 883 CD1 TRP A 61 3.935 -6.587 -0.527 1.00 0.00 C ATOM 884 CD2 TRP A 61 2.355 -5.277 -1.421 1.00 0.00 C ATOM 885 NE1 TRP A 61 2.782 -7.329 -0.629 1.00 0.00 N ATOM 886 CE2 TRP A 61 1.797 -6.547 -1.175 1.00 0.00 C ATOM 887 CE3 TRP A 61 1.548 -4.283 -1.985 1.00 0.00 C ATOM 888 CZ2 TRP A 61 0.469 -6.844 -1.470 1.00 0.00 C ATOM 889 CZ3 TRP A 61 0.229 -4.582 -2.277 1.00 0.00 C ATOM 890 CH2 TRP A 61 -0.298 -5.853 -2.020 1.00 0.00 C ATOM 0 H TRP A 61 6.255 -2.379 -0.466 1.00 0.00 H new ATOM 0 HA TRP A 61 5.770 -4.939 0.641 1.00 0.00 H new ATOM 0 HB2 TRP A 61 4.249 -3.292 -0.686 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.958 -4.010 -2.119 1.00 0.00 H new ATOM 0 HD1 TRP A 61 4.871 -6.951 -0.131 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.677 -8.303 -0.345 1.00 0.00 H new ATOM 0 HE3 TRP A 61 1.947 -3.300 -2.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.058 -7.823 -1.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.404 -3.822 -2.710 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.331 -6.056 -2.261 1.00 0.00 H new ATOM 900 N LEU A 62 7.611 -4.806 -2.106 1.00 0.00 N ATOM 901 CA LEU A 62 8.602 -5.545 -2.893 1.00 0.00 C ATOM 902 C LEU A 62 9.694 -6.118 -1.996 1.00 0.00 C ATOM 903 O LEU A 62 10.150 -7.244 -2.190 1.00 0.00 O ATOM 904 CB LEU A 62 9.252 -4.632 -3.940 1.00 0.00 C ATOM 905 CG LEU A 62 8.362 -4.209 -5.107 1.00 0.00 C ATOM 906 CD1 LEU A 62 9.074 -3.170 -5.957 1.00 0.00 C ATOM 907 CD2 LEU A 62 7.989 -5.415 -5.952 1.00 0.00 C ATOM 0 H LEU A 62 7.483 -3.837 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 62 8.079 -6.361 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.609 -3.733 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.128 -5.141 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 62 7.448 -3.770 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.431 -2.875 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.303 -2.296 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.000 -3.592 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.355 -5.097 -6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.894 -5.878 -6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.450 -6.137 -5.338 1.00 0.00 H new ATOM 918 N ASP A 63 10.093 -5.328 -1.010 1.00 0.00 N ATOM 919 CA ASP A 63 11.187 -5.690 -0.120 1.00 0.00 C ATOM 920 C ASP A 63 10.769 -6.766 0.883 1.00 0.00 C ATOM 921 O ASP A 63 11.506 -7.722 1.117 1.00 0.00 O ATOM 922 CB ASP A 63 11.687 -4.444 0.618 1.00 0.00 C ATOM 923 CG ASP A 63 12.810 -4.739 1.589 1.00 0.00 C ATOM 924 OD1 ASP A 63 13.903 -5.148 1.139 1.00 0.00 O ATOM 925 OD2 ASP A 63 12.620 -4.527 2.805 1.00 0.00 O ATOM 0 H ASP A 63 9.670 -4.423 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 63 11.992 -6.103 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.029 -3.710 -0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.856 -3.992 1.159 1.00 0.00 H new ATOM 929 N GLU A 64 9.584 -6.621 1.460 1.00 0.00 N ATOM 930 CA GLU A 64 9.125 -7.560 2.479 1.00 0.00 C ATOM 931 C GLU A 64 8.646 -8.871 1.863 1.00 0.00 C ATOM 932 O GLU A 64 8.788 -9.935 2.466 1.00 0.00 O ATOM 933 CB GLU A 64 8.009 -6.951 3.327 1.00 0.00 C ATOM 934 CG GLU A 64 8.401 -5.637 3.978 1.00 0.00 C ATOM 935 CD GLU A 64 7.550 -5.308 5.184 1.00 0.00 C ATOM 936 OE1 GLU A 64 6.392 -4.898 5.006 1.00 0.00 O ATOM 937 OE2 GLU A 64 8.049 -5.464 6.321 1.00 0.00 O ATOM 0 H GLU A 64 8.927 -5.871 1.244 1.00 0.00 H new ATOM 0 HA GLU A 64 9.980 -7.774 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.132 -6.791 2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.722 -7.661 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.448 -5.683 4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.314 -4.833 3.247 1.00 0.00 H new ATOM 942 N ALA A 65 8.092 -8.801 0.657 1.00 0.00 N ATOM 943 CA ALA A 65 7.570 -9.990 -0.013 1.00 0.00 C ATOM 944 C ALA A 65 8.675 -10.745 -0.744 1.00 0.00 C ATOM 945 O ALA A 65 8.404 -11.656 -1.529 1.00 0.00 O ATOM 946 CB ALA A 65 6.458 -9.617 -0.980 1.00 0.00 C ATOM 0 H ALA A 65 7.992 -7.937 0.124 1.00 0.00 H new ATOM 0 HA ALA A 65 7.161 -10.648 0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.083 -10.517 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.647 -9.136 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.845 -8.930 -1.733 1.00 0.00 H new ATOM 952 N GLU A 66 9.915 -10.357 -0.482 1.00 0.00 N ATOM 953 CA GLU A 66 11.066 -11.004 -1.083 1.00 0.00 C ATOM 954 C GLU A 66 11.502 -12.180 -0.216 1.00 0.00 C ATOM 955 O GLU A 66 11.191 -13.333 -0.572 1.00 0.00 O ATOM 956 CB GLU A 66 12.217 -10.006 -1.235 1.00 0.00 C ATOM 957 CG GLU A 66 13.380 -10.531 -2.061 1.00 0.00 C ATOM 958 CD GLU A 66 12.999 -10.780 -3.504 1.00 0.00 C ATOM 959 OE1 GLU A 66 13.085 -9.834 -4.316 1.00 0.00 O ATOM 960 OE2 GLU A 66 12.618 -11.923 -3.840 1.00 0.00 O ATOM 961 OXT GLU A 66 12.123 -11.939 0.839 1.00 0.00 O ATOM 0 H GLU A 66 10.148 -9.590 0.149 1.00 0.00 H new ATOM 0 HA GLU A 66 10.792 -11.370 -2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.837 -9.095 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.581 -9.732 -0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.201 -9.815 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.746 -11.458 -1.620 1.00 0.00 H new TER 966 GLU A 66