USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 hydrogens (2 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 79 GLN : amide:sc= 0.133 K(o=0.28,f=-4) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.147 K(o=0.28,f=-3.3!) USER MOD Set 2.1: A 41 THR OG1 : rot 124:sc= 0.836 USER MOD Set 2.2: A 77 GLN : amide:sc= 0.443 K(o=1.3,f=-2.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0463 USER MOD Single : A 50 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.13) USER MOD Single : A 52 LYS NZ :NH3+ -119:sc= 1.14 (180deg=-0.764) USER MOD Single : A 53 LYS NZ :NH3+ 144:sc= 1.21 (180deg=0.309) USER MOD Single : A 57 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.14) USER MOD Single : A 58 ASN : amide:sc= -0.339 K(o=-0.34,f=-3.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= 1.17 (180deg=0.764) USER MOD Single : A 68 ASN : amide:sc= -0.43 K(o=-0.43,f=-1.8) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00436 USER MOD Single : A 78 CYS SG : rot 98:sc= 0.327 USER MOD Single : A 80 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= 0.392 (180deg=-0.0817) USER MOD Single : A 87 ASN : amide:sc= 0.358 X(o=0.36,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 38 3.354 -9.441 -7.175 1.00 0.00 N ATOM 2 CA LEU A 38 4.799 -9.337 -7.440 1.00 0.00 C ATOM 3 C LEU A 38 5.074 -8.112 -8.313 1.00 0.00 C ATOM 4 O LEU A 38 4.579 -8.032 -9.434 1.00 0.00 O ATOM 5 CB LEU A 38 5.306 -10.619 -8.125 1.00 0.00 C ATOM 6 CG LEU A 38 6.707 -10.991 -7.612 1.00 0.00 C ATOM 7 CD1 LEU A 38 7.117 -12.342 -8.204 1.00 0.00 C ATOM 8 CD2 LEU A 38 7.727 -9.926 -8.029 1.00 0.00 C ATOM 0 HA LEU A 38 5.332 -9.221 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.613 -11.438 -7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.335 -10.473 -9.205 1.00 0.00 H new ATOM 0 HG LEU A 38 6.683 -11.051 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.110 -12.611 -7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.401 -13.105 -7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.132 -12.273 -9.292 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.714 -10.203 -7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.754 -9.854 -9.116 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.439 -8.962 -7.609 1.00 0.00 H new ATOM 22 N GLY A 39 5.856 -7.158 -7.794 1.00 0.00 N ATOM 23 CA GLY A 39 6.188 -5.947 -8.527 1.00 0.00 C ATOM 24 C GLY A 39 7.438 -5.307 -7.940 1.00 0.00 C ATOM 25 O GLY A 39 7.395 -4.171 -7.472 1.00 0.00 O ATOM 0 H GLY A 39 6.269 -7.209 -6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.350 -6.182 -9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.355 -5.245 -8.482 1.00 0.00 H new ATOM 29 N LYS A 40 8.552 -6.046 -7.974 1.00 0.00 N ATOM 30 CA LYS A 40 9.832 -5.560 -7.479 1.00 0.00 C ATOM 31 C LYS A 40 10.706 -5.188 -8.679 1.00 0.00 C ATOM 32 O LYS A 40 10.186 -4.798 -9.726 1.00 0.00 O ATOM 33 CB LYS A 40 10.494 -6.652 -6.617 1.00 0.00 C ATOM 34 CG LYS A 40 9.579 -7.052 -5.449 1.00 0.00 C ATOM 35 CD LYS A 40 9.408 -5.872 -4.483 1.00 0.00 C ATOM 36 CE LYS A 40 8.765 -6.361 -3.183 1.00 0.00 C ATOM 37 NZ LYS A 40 8.600 -5.253 -2.224 1.00 0.00 N ATOM 0 H LYS A 40 8.586 -6.995 -8.346 1.00 0.00 H new ATOM 0 HA LYS A 40 9.698 -4.676 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.710 -7.526 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.447 -6.290 -6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.606 -7.364 -5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.003 -7.906 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.376 -5.418 -4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.787 -5.102 -4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.794 -6.807 -3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.383 -7.142 -2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.162 -5.611 -1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.530 -4.845 -2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.991 -4.520 -2.641 1.00 0.00 H new ATOM 51 N THR A 41 12.029 -5.312 -8.536 1.00 0.00 N ATOM 52 CA THR A 41 12.956 -5.006 -9.610 1.00 0.00 C ATOM 53 C THR A 41 12.947 -6.148 -10.627 1.00 0.00 C ATOM 54 O THR A 41 13.890 -6.937 -10.687 1.00 0.00 O ATOM 55 CB THR A 41 14.352 -4.801 -9.014 1.00 0.00 C ATOM 56 OG1 THR A 41 14.585 -5.765 -8.010 1.00 0.00 O ATOM 57 CG2 THR A 41 14.445 -3.405 -8.401 1.00 0.00 C ATOM 0 H THR A 41 12.477 -5.626 -7.675 1.00 0.00 H new ATOM 0 HA THR A 41 12.660 -4.092 -10.125 1.00 0.00 H new ATOM 0 HB THR A 41 15.098 -4.907 -9.802 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.398 -6.269 -8.223 1.00 0.00 H new ATOM 0 HG21 THR A 41 15.438 -3.259 -7.977 1.00 0.00 H new ATOM 0 HG22 THR A 41 14.266 -2.656 -9.173 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.696 -3.302 -7.615 1.00 0.00 H new ATOM 65 N ARG A 42 11.869 -6.226 -11.423 1.00 0.00 N ATOM 66 CA ARG A 42 11.713 -7.259 -12.438 1.00 0.00 C ATOM 67 C ARG A 42 12.989 -7.385 -13.270 1.00 0.00 C ATOM 68 O ARG A 42 13.478 -6.400 -13.824 1.00 0.00 O ATOM 69 CB ARG A 42 10.516 -6.908 -13.327 1.00 0.00 C ATOM 70 CG ARG A 42 10.296 -8.012 -14.368 1.00 0.00 C ATOM 71 CD ARG A 42 8.995 -7.749 -15.128 1.00 0.00 C ATOM 72 NE ARG A 42 8.790 -8.758 -16.177 1.00 0.00 N ATOM 73 CZ ARG A 42 7.688 -8.802 -16.948 1.00 0.00 C ATOM 74 NH1 ARG A 42 6.710 -7.901 -16.778 1.00 0.00 N ATOM 75 NH2 ARG A 42 7.569 -9.748 -17.889 1.00 0.00 N ATOM 0 H ARG A 42 11.087 -5.573 -11.375 1.00 0.00 H new ATOM 0 HA ARG A 42 11.533 -8.221 -11.957 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.621 -6.789 -12.716 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.690 -5.955 -13.826 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.135 -8.043 -15.063 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.252 -8.985 -13.878 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.154 -7.763 -14.434 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.024 -6.755 -15.574 1.00 0.00 H new ATOM 0 HE ARG A 42 9.517 -9.457 -16.328 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.800 -7.179 -16.063 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.876 -7.937 -17.364 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.313 -10.433 -18.020 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.734 -9.783 -18.474 1.00 0.00 H new ATOM 89 N TRP A 43 13.521 -8.606 -13.353 1.00 0.00 N ATOM 90 CA TRP A 43 14.729 -8.876 -14.104 1.00 0.00 C ATOM 91 C TRP A 43 14.374 -9.249 -15.538 1.00 0.00 C ATOM 92 O TRP A 43 13.932 -10.367 -15.799 1.00 0.00 O ATOM 93 CB TRP A 43 15.500 -10.003 -13.421 1.00 0.00 C ATOM 94 CG TRP A 43 16.409 -9.538 -12.335 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.084 -9.376 -11.041 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.800 -9.135 -12.438 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.158 -8.911 -10.323 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.258 -8.739 -11.144 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.726 -9.054 -13.498 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.561 -8.288 -10.918 1.00 0.00 C ATOM 101 CZ3 TRP A 43 20.035 -8.586 -13.282 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.454 -8.205 -11.992 1.00 0.00 C ATOM 0 H TRP A 43 13.121 -9.427 -12.900 1.00 0.00 H new ATOM 0 HA TRP A 43 15.357 -7.986 -14.132 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.789 -10.717 -13.006 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.086 -10.535 -14.170 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.110 -9.583 -10.623 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.146 -8.719 -9.321 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.426 -9.356 -14.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.876 -8.006 -9.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.724 -8.518 -14.111 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.461 -7.850 -11.833 1.00 0.00 H new ATOM 113 N THR A 44 14.570 -8.305 -16.465 1.00 0.00 N ATOM 114 CA THR A 44 14.288 -8.531 -17.873 1.00 0.00 C ATOM 115 C THR A 44 15.535 -9.086 -18.568 1.00 0.00 C ATOM 116 O THR A 44 16.634 -9.046 -18.010 1.00 0.00 O ATOM 117 CB THR A 44 13.811 -7.220 -18.524 1.00 0.00 C ATOM 118 OG1 THR A 44 13.398 -7.478 -19.850 1.00 0.00 O ATOM 119 CG2 THR A 44 14.936 -6.179 -18.538 1.00 0.00 C ATOM 0 H THR A 44 14.926 -7.372 -16.255 1.00 0.00 H new ATOM 0 HA THR A 44 13.491 -9.267 -17.978 1.00 0.00 H new ATOM 0 HB THR A 44 12.978 -6.826 -17.942 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.092 -6.645 -20.265 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.576 -5.261 -19.003 1.00 0.00 H new ATOM 0 HG22 THR A 44 15.250 -5.969 -17.516 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.782 -6.565 -19.106 1.00 0.00 H new ATOM 127 N ARG A 45 15.349 -9.604 -19.788 1.00 0.00 N ATOM 128 CA ARG A 45 16.427 -10.196 -20.572 1.00 0.00 C ATOM 129 C ARG A 45 17.624 -9.246 -20.655 1.00 0.00 C ATOM 130 O ARG A 45 18.767 -9.680 -20.543 1.00 0.00 O ATOM 131 CB ARG A 45 15.897 -10.515 -21.975 1.00 0.00 C ATOM 132 CG ARG A 45 16.931 -11.335 -22.763 1.00 0.00 C ATOM 133 CD ARG A 45 16.934 -10.895 -24.231 1.00 0.00 C ATOM 134 NE ARG A 45 17.439 -9.519 -24.375 1.00 0.00 N ATOM 135 CZ ARG A 45 18.750 -9.204 -24.372 1.00 0.00 C ATOM 136 NH1 ARG A 45 19.679 -10.153 -24.218 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.133 -7.932 -24.523 1.00 0.00 N ATOM 0 H ARG A 45 14.443 -9.622 -20.256 1.00 0.00 H new ATOM 0 HA ARG A 45 16.766 -11.112 -20.089 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.963 -11.071 -21.900 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.675 -9.589 -22.506 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.922 -11.198 -22.331 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.696 -12.397 -22.693 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.553 -11.575 -24.816 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.923 -10.958 -24.634 1.00 0.00 H new ATOM 0 HE ARG A 45 16.761 -8.764 -24.483 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.399 -11.127 -24.101 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.668 -9.903 -24.217 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.433 -7.199 -24.641 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.125 -7.694 -24.521 1.00 0.00 H new ATOM 151 N GLU A 46 17.362 -7.952 -20.862 1.00 0.00 N ATOM 152 CA GLU A 46 18.424 -6.970 -20.988 1.00 0.00 C ATOM 153 C GLU A 46 19.264 -6.926 -19.709 1.00 0.00 C ATOM 154 O GLU A 46 20.486 -6.995 -19.779 1.00 0.00 O ATOM 155 CB GLU A 46 17.826 -5.595 -21.304 1.00 0.00 C ATOM 156 CG GLU A 46 18.838 -4.778 -22.112 1.00 0.00 C ATOM 157 CD GLU A 46 18.345 -3.355 -22.330 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.219 -3.218 -22.851 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.107 -2.429 -21.972 1.00 0.00 O ATOM 0 H GLU A 46 16.421 -7.568 -20.945 1.00 0.00 H new ATOM 0 HA GLU A 46 19.081 -7.256 -21.809 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.900 -5.709 -21.868 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.575 -5.074 -20.380 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.794 -4.759 -21.589 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.011 -5.258 -23.075 1.00 0.00 H new ATOM 166 N GLU A 47 18.614 -6.814 -18.541 1.00 0.00 N ATOM 167 CA GLU A 47 19.326 -6.760 -17.269 1.00 0.00 C ATOM 168 C GLU A 47 20.157 -8.029 -17.093 1.00 0.00 C ATOM 169 O GLU A 47 21.319 -7.959 -16.699 1.00 0.00 O ATOM 170 CB GLU A 47 18.330 -6.608 -16.111 1.00 0.00 C ATOM 171 CG GLU A 47 18.599 -5.308 -15.347 1.00 0.00 C ATOM 172 CD GLU A 47 18.067 -4.105 -16.113 1.00 0.00 C ATOM 173 OE1 GLU A 47 18.798 -3.633 -17.011 1.00 0.00 O ATOM 174 OE2 GLU A 47 16.938 -3.679 -15.784 1.00 0.00 O ATOM 0 H GLU A 47 17.599 -6.760 -18.458 1.00 0.00 H new ATOM 0 HA GLU A 47 19.991 -5.897 -17.266 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.311 -6.607 -16.497 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.414 -7.459 -15.435 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.129 -5.355 -14.365 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.670 -5.194 -15.182 1.00 0.00 H new ATOM 181 N ASP A 48 19.560 -9.190 -17.392 1.00 0.00 N ATOM 182 CA ASP A 48 20.263 -10.459 -17.290 1.00 0.00 C ATOM 183 C ASP A 48 21.503 -10.424 -18.178 1.00 0.00 C ATOM 184 O ASP A 48 22.568 -10.883 -17.773 1.00 0.00 O ATOM 185 CB ASP A 48 19.335 -11.604 -17.703 1.00 0.00 C ATOM 186 CG ASP A 48 18.368 -11.955 -16.582 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.864 -12.312 -15.493 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.147 -11.865 -16.828 1.00 0.00 O ATOM 0 H ASP A 48 18.593 -9.268 -17.705 1.00 0.00 H new ATOM 0 HA ASP A 48 20.573 -10.624 -16.258 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.776 -11.320 -18.594 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.928 -12.481 -17.964 1.00 0.00 H new ATOM 193 N GLU A 49 21.363 -9.871 -19.390 1.00 0.00 N ATOM 194 CA GLU A 49 22.476 -9.766 -20.316 1.00 0.00 C ATOM 195 C GLU A 49 23.569 -8.886 -19.710 1.00 0.00 C ATOM 196 O GLU A 49 24.739 -9.244 -19.760 1.00 0.00 O ATOM 197 CB GLU A 49 21.996 -9.190 -21.649 1.00 0.00 C ATOM 198 CG GLU A 49 23.042 -9.476 -22.732 1.00 0.00 C ATOM 199 CD GLU A 49 22.910 -8.499 -23.889 1.00 0.00 C ATOM 200 OE1 GLU A 49 21.790 -8.420 -24.438 1.00 0.00 O ATOM 201 OE2 GLU A 49 23.933 -7.851 -24.201 1.00 0.00 O ATOM 0 H GLU A 49 20.485 -9.492 -19.744 1.00 0.00 H new ATOM 0 HA GLU A 49 22.888 -10.758 -20.500 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.039 -9.633 -21.926 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.836 -8.116 -21.557 1.00 0.00 H new ATOM 0 HG2 GLU A 49 24.042 -9.405 -22.304 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.923 -10.496 -23.097 1.00 0.00 H new ATOM 208 N LYS A 50 23.186 -7.734 -19.135 1.00 0.00 N ATOM 209 CA LYS A 50 24.149 -6.831 -18.514 1.00 0.00 C ATOM 210 C LYS A 50 24.921 -7.582 -17.431 1.00 0.00 C ATOM 211 O LYS A 50 26.143 -7.477 -17.355 1.00 0.00 O ATOM 212 CB LYS A 50 23.430 -5.619 -17.906 1.00 0.00 C ATOM 213 CG LYS A 50 22.824 -4.744 -19.007 1.00 0.00 C ATOM 214 CD LYS A 50 22.067 -3.573 -18.364 1.00 0.00 C ATOM 215 CE LYS A 50 20.919 -3.122 -19.272 1.00 0.00 C ATOM 216 NZ LYS A 50 21.412 -2.701 -20.595 1.00 0.00 N ATOM 0 H LYS A 50 22.219 -7.413 -19.091 1.00 0.00 H new ATOM 0 HA LYS A 50 24.845 -6.473 -19.273 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.645 -5.957 -17.229 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.132 -5.033 -17.313 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.609 -4.368 -19.663 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.148 -5.334 -19.625 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.675 -3.874 -17.392 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.750 -2.742 -18.189 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.206 -3.937 -19.391 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.384 -2.297 -18.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.633 -2.276 -21.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.173 -2.002 -20.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.779 -3.528 -21.108 1.00 0.00 H new ATOM 230 N LEU A 51 24.201 -8.344 -16.595 1.00 0.00 N ATOM 231 CA LEU A 51 24.818 -9.112 -15.525 1.00 0.00 C ATOM 232 C LEU A 51 25.811 -10.110 -16.121 1.00 0.00 C ATOM 233 O LEU A 51 26.948 -10.197 -15.667 1.00 0.00 O ATOM 234 CB LEU A 51 23.724 -9.826 -14.714 1.00 0.00 C ATOM 235 CG LEU A 51 24.257 -10.242 -13.332 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.545 -9.002 -12.482 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.208 -11.095 -12.618 1.00 0.00 C ATOM 0 H LEU A 51 23.187 -8.439 -16.647 1.00 0.00 H new ATOM 0 HA LEU A 51 25.364 -8.450 -14.853 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.864 -9.167 -14.595 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.378 -10.706 -15.256 1.00 0.00 H new ATOM 0 HG LEU A 51 25.177 -10.811 -13.467 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.922 -9.309 -11.506 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.292 -8.384 -12.981 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.627 -8.428 -12.352 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.584 -11.390 -11.639 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.292 -10.518 -12.495 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.999 -11.986 -13.210 1.00 0.00 H new ATOM 249 N LYS A 52 25.377 -10.857 -17.145 1.00 0.00 N ATOM 250 CA LYS A 52 26.233 -11.828 -17.817 1.00 0.00 C ATOM 251 C LYS A 52 27.504 -11.139 -18.322 1.00 0.00 C ATOM 252 O LYS A 52 28.606 -11.607 -18.061 1.00 0.00 O ATOM 253 CB LYS A 52 25.455 -12.466 -18.989 1.00 0.00 C ATOM 254 CG LYS A 52 25.820 -13.956 -19.149 1.00 0.00 C ATOM 255 CD LYS A 52 26.710 -14.178 -20.385 1.00 0.00 C ATOM 256 CE LYS A 52 28.156 -13.771 -20.078 1.00 0.00 C ATOM 257 NZ LYS A 52 29.115 -14.534 -20.897 1.00 0.00 N ATOM 0 H LYS A 52 24.431 -10.802 -17.524 1.00 0.00 H new ATOM 0 HA LYS A 52 26.524 -12.611 -17.117 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.383 -12.367 -18.815 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.679 -11.932 -19.912 1.00 0.00 H new ATOM 0 HG2 LYS A 52 26.339 -14.305 -18.256 1.00 0.00 H new ATOM 0 HG3 LYS A 52 24.910 -14.549 -19.241 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.675 -15.226 -20.683 1.00 0.00 H new ATOM 0 HD3 LYS A 52 26.331 -13.595 -21.224 1.00 0.00 H new ATOM 0 HE2 LYS A 52 28.283 -12.705 -20.265 1.00 0.00 H new ATOM 0 HE3 LYS A 52 28.366 -13.936 -19.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 29.741 -15.084 -20.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 28.597 -15.180 -21.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 29.684 -13.877 -21.468 1.00 0.00 H new ATOM 271 N LYS A 53 27.339 -10.029 -19.052 1.00 0.00 N ATOM 272 CA LYS A 53 28.457 -9.288 -19.625 1.00 0.00 C ATOM 273 C LYS A 53 29.431 -8.854 -18.528 1.00 0.00 C ATOM 274 O LYS A 53 30.640 -9.018 -18.675 1.00 0.00 O ATOM 275 CB LYS A 53 27.918 -8.066 -20.384 1.00 0.00 C ATOM 276 CG LYS A 53 27.168 -8.510 -21.650 1.00 0.00 C ATOM 277 CD LYS A 53 28.161 -8.714 -22.802 1.00 0.00 C ATOM 278 CE LYS A 53 27.430 -9.251 -24.039 1.00 0.00 C ATOM 279 NZ LYS A 53 26.519 -8.241 -24.613 1.00 0.00 N ATOM 0 H LYS A 53 26.426 -9.624 -19.259 1.00 0.00 H new ATOM 0 HA LYS A 53 28.998 -9.931 -20.319 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.250 -7.495 -19.739 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.742 -7.405 -20.654 1.00 0.00 H new ATOM 0 HG2 LYS A 53 26.627 -9.436 -21.456 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.427 -7.760 -21.926 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.652 -7.770 -23.041 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.942 -9.412 -22.500 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.159 -9.553 -24.791 1.00 0.00 H new ATOM 0 HE3 LYS A 53 26.863 -10.142 -23.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 26.518 -8.323 -25.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.556 -8.397 -24.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 26.840 -7.290 -24.342 1.00 0.00 H new ATOM 293 N LEU A 54 28.910 -8.303 -17.427 1.00 0.00 N ATOM 294 CA LEU A 54 29.751 -7.862 -16.323 1.00 0.00 C ATOM 295 C LEU A 54 30.517 -9.057 -15.754 1.00 0.00 C ATOM 296 O LEU A 54 31.726 -8.980 -15.567 1.00 0.00 O ATOM 297 CB LEU A 54 28.886 -7.193 -15.248 1.00 0.00 C ATOM 298 CG LEU A 54 28.444 -5.799 -15.728 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.187 -5.363 -14.970 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.562 -4.781 -15.476 1.00 0.00 C ATOM 0 H LEU A 54 27.911 -8.154 -17.282 1.00 0.00 H new ATOM 0 HA LEU A 54 30.475 -7.129 -16.679 1.00 0.00 H new ATOM 0 HB2 LEU A 54 28.012 -7.809 -15.036 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.448 -7.106 -14.318 1.00 0.00 H new ATOM 0 HG LEU A 54 28.229 -5.846 -16.796 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.879 -4.376 -15.314 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.385 -6.078 -15.154 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.401 -5.325 -13.902 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.242 -3.797 -15.818 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.783 -4.740 -14.409 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.457 -5.081 -16.021 1.00 0.00 H new ATOM 312 N VAL A 55 29.813 -10.164 -15.491 1.00 0.00 N ATOM 313 CA VAL A 55 30.438 -11.375 -14.972 1.00 0.00 C ATOM 314 C VAL A 55 31.532 -11.843 -15.941 1.00 0.00 C ATOM 315 O VAL A 55 32.599 -12.275 -15.513 1.00 0.00 O ATOM 316 CB VAL A 55 29.360 -12.458 -14.775 1.00 0.00 C ATOM 317 CG1 VAL A 55 30.013 -13.829 -14.568 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.511 -12.118 -13.545 1.00 0.00 C ATOM 0 H VAL A 55 28.806 -10.241 -15.632 1.00 0.00 H new ATOM 0 HA VAL A 55 30.904 -11.176 -14.007 1.00 0.00 H new ATOM 0 HB VAL A 55 28.731 -12.491 -15.665 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.239 -14.584 -14.430 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.614 -14.081 -15.441 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.651 -13.798 -13.685 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.749 -12.884 -13.406 1.00 0.00 H new ATOM 0 HG22 VAL A 55 29.149 -12.077 -12.662 1.00 0.00 H new ATOM 0 HG23 VAL A 55 28.031 -11.150 -13.691 1.00 0.00 H new ATOM 328 N GLU A 56 31.261 -11.747 -17.248 1.00 0.00 N ATOM 329 CA GLU A 56 32.213 -12.142 -18.275 1.00 0.00 C ATOM 330 C GLU A 56 33.486 -11.300 -18.154 1.00 0.00 C ATOM 331 O GLU A 56 34.591 -11.822 -18.292 1.00 0.00 O ATOM 332 CB GLU A 56 31.563 -11.956 -19.653 1.00 0.00 C ATOM 333 CG GLU A 56 32.332 -12.741 -20.716 1.00 0.00 C ATOM 334 CD GLU A 56 31.698 -12.544 -22.088 1.00 0.00 C ATOM 335 OE1 GLU A 56 32.056 -11.541 -22.740 1.00 0.00 O ATOM 336 OE2 GLU A 56 30.862 -13.399 -22.456 1.00 0.00 O ATOM 0 H GLU A 56 30.377 -11.394 -17.615 1.00 0.00 H new ATOM 0 HA GLU A 56 32.487 -13.190 -18.150 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.527 -12.293 -19.622 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.546 -10.898 -19.914 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.371 -12.412 -20.738 1.00 0.00 H new ATOM 0 HG3 GLU A 56 32.338 -13.801 -20.460 1.00 0.00 H new ATOM 343 N GLN A 57 33.324 -9.995 -17.896 1.00 0.00 N ATOM 344 CA GLN A 57 34.451 -9.087 -17.766 1.00 0.00 C ATOM 345 C GLN A 57 35.191 -9.346 -16.451 1.00 0.00 C ATOM 346 O GLN A 57 36.331 -9.807 -16.463 1.00 0.00 O ATOM 347 CB GLN A 57 33.942 -7.635 -17.830 1.00 0.00 C ATOM 348 CG GLN A 57 35.105 -6.645 -17.645 1.00 0.00 C ATOM 349 CD GLN A 57 36.165 -6.816 -18.730 1.00 0.00 C ATOM 350 OE1 GLN A 57 36.107 -6.159 -19.764 1.00 0.00 O ATOM 351 NE2 GLN A 57 37.137 -7.699 -18.491 1.00 0.00 N ATOM 0 H GLN A 57 32.414 -9.551 -17.774 1.00 0.00 H new ATOM 0 HA GLN A 57 35.151 -9.254 -18.584 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.455 -7.457 -18.788 1.00 0.00 H new ATOM 0 HB3 GLN A 57 33.192 -7.472 -17.056 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.722 -5.625 -17.667 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.559 -6.794 -16.665 1.00 0.00 H new ATOM 0 HE21 GLN A 57 37.146 -8.224 -17.616 1.00 0.00 H new ATOM 0 HE22 GLN A 57 37.871 -7.849 -19.183 1.00 0.00 H new ATOM 360 N ASN A 58 34.543 -9.028 -15.324 1.00 0.00 N ATOM 361 CA ASN A 58 35.140 -9.189 -14.001 1.00 0.00 C ATOM 362 C ASN A 58 34.809 -10.571 -13.437 1.00 0.00 C ATOM 363 O ASN A 58 35.658 -11.459 -13.441 1.00 0.00 O ATOM 364 CB ASN A 58 34.654 -8.069 -13.055 1.00 0.00 C ATOM 365 CG ASN A 58 33.224 -7.635 -13.370 1.00 0.00 C ATOM 366 OD1 ASN A 58 32.271 -8.173 -12.811 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.080 -6.659 -14.271 1.00 0.00 N ATOM 0 H ASN A 58 33.594 -8.654 -15.307 1.00 0.00 H new ATOM 0 HA ASN A 58 36.224 -9.110 -14.088 1.00 0.00 H new ATOM 0 HB2 ASN A 58 34.708 -8.417 -12.023 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.320 -7.210 -13.138 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.148 -6.330 -14.522 1.00 0.00 H new ATOM 0 HD22 ASN A 58 33.902 -6.243 -14.708 1.00 0.00 H new ATOM 374 N GLY A 59 33.576 -10.741 -12.944 1.00 0.00 N ATOM 375 CA GLY A 59 33.137 -11.992 -12.346 1.00 0.00 C ATOM 376 C GLY A 59 32.370 -11.691 -11.067 1.00 0.00 C ATOM 377 O GLY A 59 31.179 -11.390 -11.114 1.00 0.00 O ATOM 0 H GLY A 59 32.862 -10.013 -12.952 1.00 0.00 H new ATOM 0 HA2 GLY A 59 32.504 -12.540 -13.044 1.00 0.00 H new ATOM 0 HA3 GLY A 59 33.996 -12.627 -12.129 1.00 0.00 H new ATOM 381 N THR A 60 33.062 -11.768 -9.926 1.00 0.00 N ATOM 382 CA THR A 60 32.468 -11.482 -8.628 1.00 0.00 C ATOM 383 C THR A 60 33.361 -10.496 -7.877 1.00 0.00 C ATOM 384 O THR A 60 33.582 -10.643 -6.675 1.00 0.00 O ATOM 385 CB THR A 60 32.303 -12.790 -7.839 1.00 0.00 C ATOM 386 OG1 THR A 60 33.560 -13.417 -7.695 1.00 0.00 O ATOM 387 CG2 THR A 60 31.348 -13.730 -8.578 1.00 0.00 C ATOM 0 H THR A 60 34.047 -12.030 -9.882 1.00 0.00 H new ATOM 0 HA THR A 60 31.482 -11.034 -8.754 1.00 0.00 H new ATOM 0 HB THR A 60 31.892 -12.562 -6.855 1.00 0.00 H new ATOM 0 HG1 THR A 60 33.454 -14.250 -7.190 1.00 0.00 H new ATOM 0 HG21 THR A 60 31.237 -14.655 -8.012 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.375 -13.250 -8.684 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.751 -13.955 -9.565 1.00 0.00 H new ATOM 395 N ASP A 61 33.877 -9.488 -8.596 1.00 0.00 N ATOM 396 CA ASP A 61 34.742 -8.476 -8.010 1.00 0.00 C ATOM 397 C ASP A 61 33.888 -7.466 -7.256 1.00 0.00 C ATOM 398 O ASP A 61 33.674 -6.348 -7.722 1.00 0.00 O ATOM 399 CB ASP A 61 35.553 -7.811 -9.119 1.00 0.00 C ATOM 400 CG ASP A 61 36.500 -6.754 -8.561 1.00 0.00 C ATOM 401 OD1 ASP A 61 37.087 -7.022 -7.490 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.622 -5.698 -9.220 1.00 0.00 O ATOM 0 H ASP A 61 33.703 -9.359 -9.593 1.00 0.00 H new ATOM 0 HA ASP A 61 35.438 -8.926 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 61 36.126 -8.567 -9.656 1.00 0.00 H new ATOM 0 HB3 ASP A 61 34.877 -7.351 -9.840 1.00 0.00 H new ATOM 407 N ASP A 62 33.398 -7.892 -6.090 1.00 0.00 N ATOM 408 CA ASP A 62 32.526 -7.086 -5.241 1.00 0.00 C ATOM 409 C ASP A 62 31.210 -6.805 -5.966 1.00 0.00 C ATOM 410 O ASP A 62 31.157 -6.003 -6.898 1.00 0.00 O ATOM 411 CB ASP A 62 33.224 -5.785 -4.818 1.00 0.00 C ATOM 412 CG ASP A 62 33.311 -5.690 -3.301 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.260 -5.385 -2.694 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.420 -5.925 -2.777 1.00 0.00 O ATOM 0 H ASP A 62 33.599 -8.816 -5.707 1.00 0.00 H new ATOM 0 HA ASP A 62 32.304 -7.644 -4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.225 -5.747 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.676 -4.928 -5.210 1.00 0.00 H new ATOM 419 N TRP A 63 30.140 -7.473 -5.529 1.00 0.00 N ATOM 420 CA TRP A 63 28.829 -7.317 -6.137 1.00 0.00 C ATOM 421 C TRP A 63 28.365 -5.860 -6.079 1.00 0.00 C ATOM 422 O TRP A 63 27.496 -5.469 -6.850 1.00 0.00 O ATOM 423 CB TRP A 63 27.835 -8.247 -5.438 1.00 0.00 C ATOM 424 CG TRP A 63 27.887 -9.657 -5.931 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.271 -10.733 -5.222 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.563 -10.164 -7.257 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.219 -11.872 -5.991 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.787 -11.576 -7.272 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.107 -9.575 -8.459 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.573 -12.355 -8.414 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.895 -10.354 -9.610 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.128 -11.740 -9.590 1.00 0.00 C ATOM 0 H TRP A 63 30.163 -8.131 -4.750 1.00 0.00 H new ATOM 0 HA TRP A 63 28.888 -7.591 -7.190 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.034 -8.238 -4.366 1.00 0.00 H new ATOM 0 HB3 TRP A 63 26.826 -7.859 -5.578 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.579 -10.706 -4.187 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.465 -12.806 -5.663 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.919 -8.512 -8.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.749 -13.420 -8.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.550 -9.883 -10.518 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.964 -12.329 -10.480 1.00 0.00 H new ATOM 443 N LYS A 64 28.944 -5.055 -5.179 1.00 0.00 N ATOM 444 CA LYS A 64 28.582 -3.650 -5.070 1.00 0.00 C ATOM 445 C LYS A 64 29.078 -2.887 -6.300 1.00 0.00 C ATOM 446 O LYS A 64 28.380 -2.014 -6.800 1.00 0.00 O ATOM 447 CB LYS A 64 29.154 -3.064 -3.774 1.00 0.00 C ATOM 448 CG LYS A 64 27.998 -2.555 -2.908 1.00 0.00 C ATOM 449 CD LYS A 64 28.498 -2.255 -1.492 1.00 0.00 C ATOM 450 CE LYS A 64 27.318 -1.856 -0.597 1.00 0.00 C ATOM 451 NZ LYS A 64 26.367 -2.975 -0.426 1.00 0.00 N ATOM 0 H LYS A 64 29.662 -5.358 -4.521 1.00 0.00 H new ATOM 0 HA LYS A 64 27.497 -3.553 -5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.723 -3.822 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 64 29.843 -2.250 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 64 27.570 -1.655 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 64 27.204 -3.301 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 64 28.998 -3.131 -1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 64 29.234 -1.451 -1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 64 27.690 -1.540 0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 64 26.801 -1.001 -1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 25.808 -2.827 0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 25.730 -3.018 -1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 26.893 -3.869 -0.349 1.00 0.00 H new ATOM 465 N VAL A 65 30.276 -3.224 -6.795 1.00 0.00 N ATOM 466 CA VAL A 65 30.823 -2.581 -7.985 1.00 0.00 C ATOM 467 C VAL A 65 29.922 -2.902 -9.172 1.00 0.00 C ATOM 468 O VAL A 65 29.549 -2.017 -9.940 1.00 0.00 O ATOM 469 CB VAL A 65 32.249 -3.095 -8.245 1.00 0.00 C ATOM 470 CG1 VAL A 65 32.807 -2.463 -9.525 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.158 -2.735 -7.070 1.00 0.00 C ATOM 0 H VAL A 65 30.880 -3.938 -6.387 1.00 0.00 H new ATOM 0 HA VAL A 65 30.865 -1.501 -7.840 1.00 0.00 H new ATOM 0 HB VAL A 65 32.214 -4.179 -8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.817 -2.832 -9.702 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.170 -2.728 -10.369 1.00 0.00 H new ATOM 0 HG13 VAL A 65 32.831 -1.379 -9.415 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.166 -3.103 -7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.184 -1.652 -6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 65 32.773 -3.193 -6.159 1.00 0.00 H new ATOM 481 N ILE A 66 29.578 -4.181 -9.308 1.00 0.00 N ATOM 482 CA ILE A 66 28.729 -4.656 -10.385 1.00 0.00 C ATOM 483 C ILE A 66 27.351 -3.990 -10.280 1.00 0.00 C ATOM 484 O ILE A 66 26.789 -3.560 -11.287 1.00 0.00 O ATOM 485 CB ILE A 66 28.645 -6.193 -10.297 1.00 0.00 C ATOM 486 CG1 ILE A 66 30.070 -6.776 -10.395 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.785 -6.740 -11.440 1.00 0.00 C ATOM 488 CD1 ILE A 66 30.063 -8.284 -10.164 1.00 0.00 C ATOM 0 H ILE A 66 29.884 -4.915 -8.669 1.00 0.00 H new ATOM 0 HA ILE A 66 29.142 -4.392 -11.359 1.00 0.00 H new ATOM 0 HB ILE A 66 28.189 -6.479 -9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.489 -6.557 -11.377 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.715 -6.295 -9.659 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.733 -7.826 -11.368 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.780 -6.323 -11.371 1.00 0.00 H new ATOM 0 HG23 ILE A 66 28.229 -6.461 -12.395 1.00 0.00 H new ATOM 0 HD11 ILE A 66 31.080 -8.668 -10.239 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.666 -8.498 -9.172 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.437 -8.764 -10.916 1.00 0.00 H new ATOM 500 N ALA A 67 26.817 -3.897 -9.055 1.00 0.00 N ATOM 501 CA ALA A 67 25.524 -3.273 -8.813 1.00 0.00 C ATOM 502 C ALA A 67 25.569 -1.791 -9.189 1.00 0.00 C ATOM 503 O ALA A 67 24.628 -1.279 -9.785 1.00 0.00 O ATOM 504 CB ALA A 67 25.153 -3.437 -7.339 1.00 0.00 C ATOM 0 H ALA A 67 27.271 -4.252 -8.214 1.00 0.00 H new ATOM 0 HA ALA A 67 24.768 -3.758 -9.431 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.185 -2.971 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.098 -4.498 -7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.911 -2.959 -6.718 1.00 0.00 H new ATOM 510 N ASN A 68 26.665 -1.103 -8.836 1.00 0.00 N ATOM 511 CA ASN A 68 26.818 0.320 -9.127 1.00 0.00 C ATOM 512 C ASN A 68 26.796 0.563 -10.639 1.00 0.00 C ATOM 513 O ASN A 68 26.351 1.618 -11.086 1.00 0.00 O ATOM 514 CB ASN A 68 28.132 0.835 -8.524 1.00 0.00 C ATOM 515 CG ASN A 68 28.077 0.871 -6.997 1.00 0.00 C ATOM 516 OD1 ASN A 68 27.006 0.782 -6.403 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.242 1.005 -6.362 1.00 0.00 N ATOM 0 H ASN A 68 27.459 -1.516 -8.347 1.00 0.00 H new ATOM 0 HA ASN A 68 25.985 0.863 -8.680 1.00 0.00 H new ATOM 0 HB2 ASN A 68 28.955 0.195 -8.844 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.340 1.835 -8.904 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.267 1.037 -5.343 1.00 0.00 H new ATOM 0 HD22 ASN A 68 30.108 1.075 -6.896 1.00 0.00 H new ATOM 524 N TYR A 69 27.273 -0.412 -11.425 1.00 0.00 N ATOM 525 CA TYR A 69 27.292 -0.293 -12.878 1.00 0.00 C ATOM 526 C TYR A 69 25.896 -0.580 -13.433 1.00 0.00 C ATOM 527 O TYR A 69 25.498 -0.005 -14.444 1.00 0.00 O ATOM 528 CB TYR A 69 28.317 -1.277 -13.461 1.00 0.00 C ATOM 529 CG TYR A 69 29.718 -0.705 -13.577 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.335 -0.100 -12.464 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.407 -0.782 -14.802 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.633 0.426 -12.579 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.705 -0.255 -14.914 1.00 0.00 C ATOM 534 CZ TYR A 69 32.318 0.348 -13.803 1.00 0.00 C ATOM 535 OH TYR A 69 33.577 0.859 -13.915 1.00 0.00 O ATOM 0 H TYR A 69 27.650 -1.291 -11.072 1.00 0.00 H new ATOM 0 HA TYR A 69 27.580 0.720 -13.161 1.00 0.00 H new ATOM 0 HB2 TYR A 69 28.349 -2.168 -12.834 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.981 -1.594 -14.448 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.810 -0.041 -11.522 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.938 -1.247 -15.657 1.00 0.00 H new ATOM 0 HE1 TYR A 69 32.104 0.891 -11.726 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.232 -0.314 -15.855 1.00 0.00 H new ATOM 0 HH TYR A 69 33.906 0.721 -14.828 1.00 0.00 H new ATOM 545 N LEU A 70 25.157 -1.469 -12.764 1.00 0.00 N ATOM 546 CA LEU A 70 23.807 -1.829 -13.170 1.00 0.00 C ATOM 547 C LEU A 70 22.823 -0.748 -12.699 1.00 0.00 C ATOM 548 O LEU A 70 23.179 0.074 -11.857 1.00 0.00 O ATOM 549 CB LEU A 70 23.461 -3.183 -12.533 1.00 0.00 C ATOM 550 CG LEU A 70 24.198 -4.313 -13.260 1.00 0.00 C ATOM 551 CD1 LEU A 70 24.250 -5.542 -12.357 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.464 -4.671 -14.556 1.00 0.00 C ATOM 0 H LEU A 70 25.482 -1.955 -11.928 1.00 0.00 H new ATOM 0 HA LEU A 70 23.740 -1.905 -14.255 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.737 -3.178 -11.479 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.385 -3.351 -12.580 1.00 0.00 H new ATOM 0 HG LEU A 70 25.209 -3.984 -13.500 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.774 -6.349 -12.870 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.778 -5.295 -11.436 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.236 -5.862 -12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.996 -5.475 -15.065 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.451 -4.997 -14.322 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.423 -3.796 -15.204 1.00 0.00 H new ATOM 564 N PRO A 71 21.574 -0.746 -13.235 1.00 0.00 N ATOM 565 CA PRO A 71 20.536 0.181 -12.805 1.00 0.00 C ATOM 566 C PRO A 71 20.156 -0.095 -11.332 1.00 0.00 C ATOM 567 O PRO A 71 21.003 -0.502 -10.543 1.00 0.00 O ATOM 568 CB PRO A 71 19.356 -0.050 -13.772 1.00 0.00 C ATOM 569 CG PRO A 71 19.810 -1.102 -14.787 1.00 0.00 C ATOM 570 CD PRO A 71 21.142 -1.649 -14.287 1.00 0.00 C ATOM 0 HA PRO A 71 20.857 1.222 -12.838 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.474 -0.392 -13.230 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.081 0.878 -14.274 1.00 0.00 H new ATOM 0 HG2 PRO A 71 19.072 -1.900 -14.873 1.00 0.00 H new ATOM 0 HG3 PRO A 71 19.920 -0.661 -15.778 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.029 -2.665 -13.908 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.875 -1.689 -15.093 1.00 0.00 H new ATOM 578 N ASN A 72 18.885 0.124 -10.958 1.00 0.00 N ATOM 579 CA ASN A 72 18.423 -0.127 -9.595 1.00 0.00 C ATOM 580 C ASN A 72 18.422 -1.635 -9.311 1.00 0.00 C ATOM 581 O ASN A 72 17.367 -2.265 -9.288 1.00 0.00 O ATOM 582 CB ASN A 72 17.020 0.458 -9.417 1.00 0.00 C ATOM 583 CG ASN A 72 17.046 1.980 -9.523 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.470 2.659 -8.593 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.590 2.514 -10.657 1.00 0.00 N ATOM 0 H ASN A 72 18.162 0.475 -11.586 1.00 0.00 H new ATOM 0 HA ASN A 72 19.097 0.354 -8.886 1.00 0.00 H new ATOM 0 HB2 ASN A 72 16.352 0.048 -10.175 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.620 0.164 -8.447 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.584 3.527 -10.778 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.247 1.910 -11.404 1.00 0.00 H new ATOM 592 N ARG A 73 19.617 -2.195 -9.097 1.00 0.00 N ATOM 593 CA ARG A 73 19.807 -3.610 -8.802 1.00 0.00 C ATOM 594 C ARG A 73 20.890 -3.723 -7.731 1.00 0.00 C ATOM 595 O ARG A 73 22.071 -3.794 -8.053 1.00 0.00 O ATOM 596 CB ARG A 73 20.240 -4.358 -10.078 1.00 0.00 C ATOM 597 CG ARG A 73 19.163 -4.274 -11.173 1.00 0.00 C ATOM 598 CD ARG A 73 17.928 -5.087 -10.765 1.00 0.00 C ATOM 599 NE ARG A 73 16.978 -5.224 -11.880 1.00 0.00 N ATOM 600 CZ ARG A 73 16.216 -4.210 -12.335 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.285 -3.001 -11.763 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.384 -4.411 -13.362 1.00 0.00 N ATOM 0 H ARG A 73 20.489 -1.666 -9.125 1.00 0.00 H new ATOM 0 HA ARG A 73 18.878 -4.055 -8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.173 -3.935 -10.450 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.437 -5.403 -9.839 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.884 -3.234 -11.340 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.561 -4.652 -12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.238 -6.076 -10.427 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.434 -4.602 -9.923 1.00 0.00 H new ATOM 0 HE ARG A 73 16.892 -6.134 -12.332 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.917 -2.843 -10.978 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.705 -2.238 -12.112 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.327 -5.331 -13.800 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.806 -3.645 -13.708 1.00 0.00 H new ATOM 616 N THR A 74 20.487 -3.726 -6.455 1.00 0.00 N ATOM 617 CA THR A 74 21.436 -3.786 -5.345 1.00 0.00 C ATOM 618 C THR A 74 22.249 -5.087 -5.395 1.00 0.00 C ATOM 619 O THR A 74 21.827 -6.075 -6.001 1.00 0.00 O ATOM 620 CB THR A 74 20.690 -3.634 -4.007 1.00 0.00 C ATOM 621 OG1 THR A 74 21.623 -3.615 -2.949 1.00 0.00 O ATOM 622 CG2 THR A 74 19.715 -4.794 -3.797 1.00 0.00 C ATOM 0 H THR A 74 19.509 -3.687 -6.169 1.00 0.00 H new ATOM 0 HA THR A 74 22.141 -2.960 -5.435 1.00 0.00 H new ATOM 0 HB THR A 74 20.127 -2.701 -4.027 1.00 0.00 H new ATOM 0 HG1 THR A 74 21.149 -3.517 -2.097 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.198 -4.667 -2.846 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.986 -4.808 -4.607 1.00 0.00 H new ATOM 0 HG23 THR A 74 20.265 -5.735 -3.788 1.00 0.00 H new ATOM 630 N ASP A 75 23.425 -5.071 -4.752 1.00 0.00 N ATOM 631 CA ASP A 75 24.333 -6.213 -4.729 1.00 0.00 C ATOM 632 C ASP A 75 23.623 -7.477 -4.243 1.00 0.00 C ATOM 633 O ASP A 75 23.886 -8.567 -4.752 1.00 0.00 O ATOM 634 CB ASP A 75 25.529 -5.886 -3.824 1.00 0.00 C ATOM 635 CG ASP A 75 25.079 -5.327 -2.479 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.898 -4.090 -2.409 1.00 0.00 O ATOM 637 OD2 ASP A 75 24.930 -6.139 -1.545 1.00 0.00 O ATOM 0 H ASP A 75 23.769 -4.262 -4.234 1.00 0.00 H new ATOM 0 HA ASP A 75 24.683 -6.405 -5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.122 -6.787 -3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.175 -5.163 -4.321 1.00 0.00 H new ATOM 642 N VAL A 76 22.732 -7.333 -3.258 1.00 0.00 N ATOM 643 CA VAL A 76 22.017 -8.465 -2.690 1.00 0.00 C ATOM 644 C VAL A 76 21.281 -9.241 -3.786 1.00 0.00 C ATOM 645 O VAL A 76 21.477 -10.451 -3.924 1.00 0.00 O ATOM 646 CB VAL A 76 21.033 -7.966 -1.618 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.299 -9.159 -0.994 1.00 0.00 C ATOM 648 CG2 VAL A 76 21.796 -7.215 -0.520 1.00 0.00 C ATOM 0 H VAL A 76 22.492 -6.434 -2.839 1.00 0.00 H new ATOM 0 HA VAL A 76 22.732 -9.143 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 76 20.312 -7.295 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.603 -8.802 -0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.749 -9.693 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.023 -9.832 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.094 -6.864 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.522 -7.884 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.316 -6.362 -0.956 1.00 0.00 H new ATOM 658 N GLN A 77 20.426 -8.556 -4.561 1.00 0.00 N ATOM 659 CA GLN A 77 19.642 -9.221 -5.589 1.00 0.00 C ATOM 660 C GLN A 77 20.512 -9.597 -6.792 1.00 0.00 C ATOM 661 O GLN A 77 20.210 -10.569 -7.474 1.00 0.00 O ATOM 662 CB GLN A 77 18.433 -8.364 -5.992 1.00 0.00 C ATOM 663 CG GLN A 77 18.849 -7.137 -6.805 1.00 0.00 C ATOM 664 CD GLN A 77 17.613 -6.462 -7.386 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.100 -6.891 -8.413 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.129 -5.412 -6.727 1.00 0.00 N ATOM 0 H GLN A 77 20.267 -7.551 -4.489 1.00 0.00 H new ATOM 0 HA GLN A 77 19.255 -10.153 -5.177 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.738 -8.968 -6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 77 17.901 -8.043 -5.096 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.394 -6.437 -6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 77 19.525 -7.433 -7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.588 -5.088 -5.876 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.299 -4.931 -7.073 1.00 0.00 H new ATOM 675 N CYS A 78 21.597 -8.845 -7.058 1.00 0.00 N ATOM 676 CA CYS A 78 22.488 -9.176 -8.168 1.00 0.00 C ATOM 677 C CYS A 78 23.096 -10.551 -7.913 1.00 0.00 C ATOM 678 O CYS A 78 23.096 -11.412 -8.792 1.00 0.00 O ATOM 679 CB CYS A 78 23.594 -8.126 -8.312 1.00 0.00 C ATOM 680 SG CYS A 78 22.908 -6.635 -9.074 1.00 0.00 S ATOM 0 H CYS A 78 21.868 -8.019 -6.525 1.00 0.00 H new ATOM 0 HA CYS A 78 21.918 -9.187 -9.097 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.015 -7.888 -7.335 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.407 -8.519 -8.922 1.00 0.00 H new ATOM 0 HG CYS A 78 22.627 -5.765 -8.150 1.00 0.00 H new ATOM 686 N GLN A 79 23.609 -10.756 -6.695 1.00 0.00 N ATOM 687 CA GLN A 79 24.194 -12.025 -6.309 1.00 0.00 C ATOM 688 C GLN A 79 23.127 -13.117 -6.362 1.00 0.00 C ATOM 689 O GLN A 79 23.368 -14.197 -6.902 1.00 0.00 O ATOM 690 CB GLN A 79 24.777 -11.902 -4.898 1.00 0.00 C ATOM 691 CG GLN A 79 25.415 -13.231 -4.485 1.00 0.00 C ATOM 692 CD GLN A 79 26.260 -13.069 -3.226 1.00 0.00 C ATOM 693 OE1 GLN A 79 27.417 -13.484 -3.196 1.00 0.00 O ATOM 694 NE2 GLN A 79 25.683 -12.467 -2.186 1.00 0.00 N ATOM 0 H GLN A 79 23.626 -10.048 -5.961 1.00 0.00 H new ATOM 0 HA GLN A 79 24.995 -12.293 -6.998 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.521 -11.106 -4.870 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.992 -11.630 -4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.636 -13.973 -4.310 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.037 -13.607 -5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.720 -12.139 -2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.205 -12.335 -1.320 1.00 0.00 H new ATOM 703 N HIS A 80 21.944 -12.831 -5.800 1.00 0.00 N ATOM 704 CA HIS A 80 20.845 -13.787 -5.780 1.00 0.00 C ATOM 705 C HIS A 80 20.292 -14.023 -7.187 1.00 0.00 C ATOM 706 O HIS A 80 19.474 -14.922 -7.374 1.00 0.00 O ATOM 707 CB HIS A 80 19.740 -13.283 -4.852 1.00 0.00 C ATOM 708 CG HIS A 80 20.049 -13.518 -3.398 1.00 0.00 C ATOM 709 ND1 HIS A 80 19.093 -13.379 -2.402 1.00 0.00 N ATOM 710 CD2 HIS A 80 21.194 -13.893 -2.739 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.701 -13.672 -1.237 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.987 -13.995 -1.373 1.00 0.00 N ATOM 0 H HIS A 80 21.730 -11.939 -5.353 1.00 0.00 H new ATOM 0 HA HIS A 80 21.223 -14.739 -5.407 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.589 -12.216 -5.019 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.804 -13.781 -5.105 1.00 0.00 H new ATOM 0 HD2 HIS A 80 22.139 -14.085 -3.225 1.00 0.00 H new ATOM 0 HE1 HIS A 80 19.195 -13.648 -0.283 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.656 -14.254 -0.648 1.00 0.00 H new ATOM 720 N ARG A 81 20.726 -13.232 -8.176 1.00 0.00 N ATOM 721 CA ARG A 81 20.290 -13.428 -9.545 1.00 0.00 C ATOM 722 C ARG A 81 21.260 -14.370 -10.252 1.00 0.00 C ATOM 723 O ARG A 81 20.828 -15.262 -10.973 1.00 0.00 O ATOM 724 CB ARG A 81 20.192 -12.079 -10.276 1.00 0.00 C ATOM 725 CG ARG A 81 19.702 -12.284 -11.724 1.00 0.00 C ATOM 726 CD ARG A 81 18.250 -12.783 -11.732 1.00 0.00 C ATOM 727 NE ARG A 81 17.735 -12.887 -13.104 1.00 0.00 N ATOM 728 CZ ARG A 81 16.454 -13.186 -13.385 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.618 -13.552 -12.405 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.009 -13.116 -14.645 1.00 0.00 N ATOM 0 H ARG A 81 21.375 -12.457 -8.045 1.00 0.00 H new ATOM 0 HA ARG A 81 19.297 -13.878 -9.551 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.507 -11.419 -9.744 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.166 -11.590 -10.281 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.774 -11.346 -12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.343 -13.003 -12.233 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.194 -13.756 -11.244 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.624 -12.101 -11.156 1.00 0.00 H new ATOM 0 HE ARG A 81 18.378 -12.725 -13.879 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.952 -13.605 -11.443 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.647 -13.778 -12.621 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.642 -12.836 -15.394 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.037 -13.343 -14.856 1.00 0.00 H new ATOM 744 N TRP A 82 22.575 -14.174 -10.056 1.00 0.00 N ATOM 745 CA TRP A 82 23.563 -14.999 -10.733 1.00 0.00 C ATOM 746 C TRP A 82 23.852 -16.291 -9.959 1.00 0.00 C ATOM 747 O TRP A 82 23.368 -17.349 -10.335 1.00 0.00 O ATOM 748 CB TRP A 82 24.858 -14.216 -10.977 1.00 0.00 C ATOM 749 CG TRP A 82 25.824 -14.970 -11.834 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.845 -15.726 -11.395 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.834 -15.114 -13.285 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.481 -16.347 -12.441 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.888 -16.011 -13.644 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.048 -14.597 -14.343 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.131 -16.387 -14.966 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.301 -14.966 -15.680 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.336 -15.867 -15.987 1.00 0.00 C ATOM 0 H TRP A 82 22.964 -13.459 -9.441 1.00 0.00 H new ATOM 0 HA TRP A 82 23.142 -15.279 -11.698 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.620 -13.264 -11.452 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.327 -13.986 -10.020 1.00 0.00 H new ATOM 0 HD1 TRP A 82 27.127 -15.831 -10.358 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.282 -16.971 -12.344 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.244 -13.911 -14.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.930 -17.076 -15.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.696 -14.554 -16.474 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.515 -16.156 -17.012 1.00 0.00 H new ATOM 768 N GLN A 83 24.660 -16.201 -8.894 1.00 0.00 N ATOM 769 CA GLN A 83 25.093 -17.371 -8.125 1.00 0.00 C ATOM 770 C GLN A 83 23.929 -18.315 -7.805 1.00 0.00 C ATOM 771 O GLN A 83 24.089 -19.533 -7.867 1.00 0.00 O ATOM 772 CB GLN A 83 25.759 -16.898 -6.828 1.00 0.00 C ATOM 773 CG GLN A 83 27.179 -16.398 -7.124 1.00 0.00 C ATOM 774 CD GLN A 83 27.761 -15.627 -5.940 1.00 0.00 C ATOM 775 OE1 GLN A 83 28.528 -14.687 -6.129 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.397 -16.019 -4.718 1.00 0.00 N ATOM 0 H GLN A 83 25.030 -15.317 -8.544 1.00 0.00 H new ATOM 0 HA GLN A 83 25.803 -17.933 -8.732 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.170 -16.100 -6.376 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.794 -17.715 -6.108 1.00 0.00 H new ATOM 0 HG2 GLN A 83 27.823 -17.246 -7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 83 27.163 -15.756 -8.005 1.00 0.00 H new ATOM 0 HE21 GLN A 83 26.757 -16.805 -4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 83 27.758 -15.533 -3.898 1.00 0.00 H new ATOM 785 N LYS A 84 22.772 -17.759 -7.447 1.00 0.00 N ATOM 786 CA LYS A 84 21.622 -18.557 -7.047 1.00 0.00 C ATOM 787 C LYS A 84 20.877 -19.151 -8.256 1.00 0.00 C ATOM 788 O LYS A 84 20.143 -20.123 -8.089 1.00 0.00 O ATOM 789 CB LYS A 84 20.690 -17.670 -6.222 1.00 0.00 C ATOM 790 CG LYS A 84 19.757 -18.526 -5.358 1.00 0.00 C ATOM 791 CD LYS A 84 18.850 -17.617 -4.514 1.00 0.00 C ATOM 792 CE LYS A 84 17.491 -17.423 -5.201 1.00 0.00 C ATOM 793 NZ LYS A 84 17.641 -16.861 -6.556 1.00 0.00 N ATOM 0 H LYS A 84 22.610 -16.752 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 84 21.968 -19.403 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 84 21.278 -17.008 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 84 20.101 -17.036 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 84 19.151 -19.173 -5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 84 20.343 -19.176 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.705 -18.055 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.331 -16.650 -4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.973 -18.380 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.870 -16.760 -4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.712 -16.555 -6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.285 -16.045 -6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.032 -17.586 -7.191 1.00 0.00 H new ATOM 807 N VAL A 85 21.046 -18.574 -9.464 1.00 0.00 N ATOM 808 CA VAL A 85 20.340 -19.061 -10.654 1.00 0.00 C ATOM 809 C VAL A 85 21.320 -19.269 -11.821 1.00 0.00 C ATOM 810 O VAL A 85 21.646 -20.411 -12.145 1.00 0.00 O ATOM 811 CB VAL A 85 19.211 -18.082 -11.031 1.00 0.00 C ATOM 812 CG1 VAL A 85 18.261 -18.755 -12.025 1.00 0.00 C ATOM 813 CG2 VAL A 85 18.426 -17.673 -9.776 1.00 0.00 C ATOM 0 H VAL A 85 21.661 -17.778 -9.634 1.00 0.00 H new ATOM 0 HA VAL A 85 19.891 -20.029 -10.431 1.00 0.00 H new ATOM 0 HB VAL A 85 19.650 -17.193 -11.484 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.463 -18.062 -12.291 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.812 -19.036 -12.922 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.831 -19.647 -11.570 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.631 -16.981 -10.054 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.991 -18.559 -9.314 1.00 0.00 H new ATOM 0 HG23 VAL A 85 19.098 -17.188 -9.068 1.00 0.00 H new ATOM 823 N LEU A 86 21.790 -18.180 -12.459 1.00 0.00 N ATOM 824 CA LEU A 86 22.723 -18.292 -13.581 1.00 0.00 C ATOM 825 C LEU A 86 24.077 -18.775 -13.070 1.00 0.00 C ATOM 826 O LEU A 86 24.884 -17.976 -12.606 1.00 0.00 O ATOM 827 CB LEU A 86 22.916 -16.935 -14.287 1.00 0.00 C ATOM 828 CG LEU A 86 21.681 -16.471 -15.089 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.994 -17.652 -15.770 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.690 -15.741 -14.180 1.00 0.00 C ATOM 0 H LEU A 86 21.537 -17.223 -12.214 1.00 0.00 H new ATOM 0 HA LEU A 86 22.307 -19.002 -14.295 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.159 -16.179 -13.541 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.770 -17.004 -14.960 1.00 0.00 H new ATOM 0 HG LEU A 86 22.025 -15.781 -15.860 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.128 -17.297 -16.328 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.693 -18.135 -16.454 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.671 -18.369 -15.016 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.827 -15.422 -14.764 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.363 -16.412 -13.386 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.174 -14.868 -13.741 1.00 0.00 H new ATOM 842 N ASN A 87 24.332 -20.078 -13.166 1.00 0.00 N ATOM 843 CA ASN A 87 25.601 -20.644 -12.738 1.00 0.00 C ATOM 844 C ASN A 87 25.848 -21.971 -13.467 1.00 0.00 C ATOM 845 O ASN A 87 25.679 -23.040 -12.881 1.00 0.00 O ATOM 846 CB ASN A 87 25.580 -20.837 -11.214 1.00 0.00 C ATOM 847 CG ASN A 87 26.980 -21.130 -10.682 1.00 0.00 C ATOM 848 OD1 ASN A 87 27.629 -20.251 -10.120 1.00 0.00 O ATOM 849 ND2 ASN A 87 27.445 -22.364 -10.860 1.00 0.00 N ATOM 0 H ASN A 87 23.672 -20.760 -13.538 1.00 0.00 H new ATOM 0 HA ASN A 87 26.418 -19.967 -12.988 1.00 0.00 H new ATOM 0 HB2 ASN A 87 25.185 -19.941 -10.735 1.00 0.00 H new ATOM 0 HB3 ASN A 87 24.910 -21.657 -10.957 1.00 0.00 H new ATOM 0 HD21 ASN A 87 28.376 -22.612 -10.524 1.00 0.00 H new ATOM 0 HD22 ASN A 87 26.871 -23.062 -11.332 1.00 0.00 H new ATOM 856 N PRO A 88 26.247 -21.906 -14.754 1.00 0.00 N ATOM 857 CA PRO A 88 26.515 -23.085 -15.550 1.00 0.00 C ATOM 858 C PRO A 88 27.778 -23.787 -15.051 1.00 0.00 C ATOM 859 O PRO A 88 27.717 -24.925 -14.588 1.00 0.00 O ATOM 860 CB PRO A 88 26.686 -22.583 -16.987 1.00 0.00 C ATOM 861 CG PRO A 88 26.787 -21.054 -16.910 1.00 0.00 C ATOM 862 CD PRO A 88 26.444 -20.662 -15.471 1.00 0.00 C ATOM 0 HA PRO A 88 25.709 -23.816 -15.484 1.00 0.00 H new ATOM 0 HB2 PRO A 88 27.581 -23.008 -17.441 1.00 0.00 H new ATOM 0 HB3 PRO A 88 25.841 -22.884 -17.606 1.00 0.00 H new ATOM 0 HG2 PRO A 88 27.790 -20.719 -17.174 1.00 0.00 H new ATOM 0 HG3 PRO A 88 26.099 -20.585 -17.613 1.00 0.00 H new ATOM 0 HD2 PRO A 88 27.248 -20.077 -15.024 1.00 0.00 H new ATOM 0 HD3 PRO A 88 25.545 -20.046 -15.438 1.00 0.00 H new ATOM 870 N GLU A 89 28.924 -23.102 -15.153 1.00 0.00 N ATOM 871 CA GLU A 89 30.200 -23.653 -14.727 1.00 0.00 C ATOM 872 C GLU A 89 30.331 -23.546 -13.208 1.00 0.00 C ATOM 873 O GLU A 89 29.905 -22.560 -12.611 1.00 0.00 O ATOM 874 CB GLU A 89 31.336 -22.895 -15.422 1.00 0.00 C ATOM 875 CG GLU A 89 31.270 -23.129 -16.935 1.00 0.00 C ATOM 876 CD GLU A 89 32.436 -22.447 -17.640 1.00 0.00 C ATOM 877 OE1 GLU A 89 33.527 -23.056 -17.651 1.00 0.00 O ATOM 878 OE2 GLU A 89 32.213 -21.328 -18.153 1.00 0.00 O ATOM 0 H GLU A 89 28.985 -22.157 -15.532 1.00 0.00 H new ATOM 0 HA GLU A 89 30.257 -24.706 -15.003 1.00 0.00 H new ATOM 0 HB2 GLU A 89 31.259 -21.829 -15.206 1.00 0.00 H new ATOM 0 HB3 GLU A 89 32.298 -23.230 -15.035 1.00 0.00 H new ATOM 0 HG2 GLU A 89 31.289 -24.199 -17.143 1.00 0.00 H new ATOM 0 HG3 GLU A 89 30.328 -22.745 -17.326 1.00 0.00 H new HETATM 885 N NH2 A 90 30.925 -24.564 -12.584 1.00 0.00 N TER 888 NH2 A 90