USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 13 THR OG1 : rot 153:sc= -1.55! USER MOD Set 1.2: A 51 GLN : amide:sc= -15.8! C(o=-17!,f=-14!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -170:sc= -0.856 USER MOD Single : A 20 SER OG : rot -50:sc= 1.07 USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.433) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.537 USER MOD Single : A 28 ASN : amide:sc= -0.142 K(o=-0.14,f=-6.5!) USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= -0.363 (180deg=-1.69!) USER MOD Single : A 37 ASN : amide:sc= -0.0293 K(o=-0.029,f=-0.73) USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00701) USER MOD Single : A 39 ASN : amide:sc= -0.155 K(o=-0.15,f=-1.1) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 45 MET CE :methyl -129:sc=-0.000134 (180deg=-2.98!) USER MOD Single : A 46 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.11) USER MOD Single : A 48 ASN : amide:sc= -0.0445 X(o=-0.044,f=-0.017) USER MOD Single : A 53 LYS NZ :NH3+ 141:sc= -5.02! (180deg=-5.86!) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= -1.46 (180deg=-2.13!) USER MOD Single : A 56 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.17) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -0.714 13.973 -2.651 1.00 0.00 N ATOM 2 CA ILE A 6 0.335 14.519 -1.746 1.00 0.00 C ATOM 3 C ILE A 6 1.696 13.916 -2.153 1.00 0.00 C ATOM 4 O ILE A 6 1.781 12.731 -2.408 1.00 0.00 O ATOM 5 CB ILE A 6 -0.034 14.140 -0.278 1.00 0.00 C ATOM 6 CG1 ILE A 6 -0.818 15.306 0.355 1.00 0.00 C ATOM 7 CG2 ILE A 6 1.223 13.834 0.572 1.00 0.00 C ATOM 8 CD1 ILE A 6 -1.190 14.976 1.800 1.00 0.00 C ATOM 0 HA ILE A 6 0.399 15.605 -1.821 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.643 13.236 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.217 16.215 0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.721 15.502 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.922 13.575 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.766 12.999 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.867 14.713 0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.743 15.810 2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.810 14.080 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.283 14.803 2.379 1.00 0.00 H new ATOM 20 N PRO A 7 2.761 14.693 -2.196 1.00 0.00 N ATOM 21 CA PRO A 7 4.095 14.143 -2.553 1.00 0.00 C ATOM 22 C PRO A 7 4.383 12.848 -1.783 1.00 0.00 C ATOM 23 O PRO A 7 4.583 12.857 -0.587 1.00 0.00 O ATOM 24 CB PRO A 7 5.086 15.252 -2.176 1.00 0.00 C ATOM 25 CG PRO A 7 4.289 16.526 -2.169 1.00 0.00 C ATOM 26 CD PRO A 7 2.819 16.145 -1.923 1.00 0.00 C ATOM 0 HA PRO A 7 4.163 13.878 -3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.531 15.064 -1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.904 15.306 -2.894 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.647 17.199 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.396 17.051 -3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.517 16.369 -0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.150 16.699 -2.581 1.00 0.00 H new ATOM 34 N ILE A 8 4.387 11.749 -2.480 1.00 0.00 N ATOM 35 CA ILE A 8 4.640 10.413 -1.871 1.00 0.00 C ATOM 36 C ILE A 8 5.554 10.497 -0.620 1.00 0.00 C ATOM 37 O ILE A 8 5.328 9.816 0.361 1.00 0.00 O ATOM 38 CB ILE A 8 5.297 9.557 -2.965 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.133 8.084 -2.630 1.00 0.00 C ATOM 40 CG2 ILE A 8 6.767 9.913 -3.093 1.00 0.00 C ATOM 41 CD1 ILE A 8 5.892 7.231 -3.650 1.00 0.00 C ATOM 0 H ILE A 8 4.219 11.720 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 8 3.703 9.977 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 8 4.810 9.757 -3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.509 7.886 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.076 7.817 -2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.223 9.301 -3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.865 10.966 -3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.270 9.728 -2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.771 6.176 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.496 7.419 -4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.951 7.490 -3.625 1.00 0.00 H new ATOM 53 N TRP A 9 6.587 11.305 -0.654 1.00 0.00 N ATOM 54 CA TRP A 9 7.517 11.404 0.527 1.00 0.00 C ATOM 55 C TRP A 9 6.893 12.278 1.629 1.00 0.00 C ATOM 56 O TRP A 9 7.580 12.719 2.529 1.00 0.00 O ATOM 57 CB TRP A 9 8.871 12.015 0.079 1.00 0.00 C ATOM 58 CG TRP A 9 8.638 12.866 -1.121 1.00 0.00 C ATOM 59 CD1 TRP A 9 8.169 14.134 -1.103 1.00 0.00 C ATOM 60 CD2 TRP A 9 8.815 12.514 -2.516 1.00 0.00 C ATOM 61 NE1 TRP A 9 8.043 14.578 -2.402 1.00 0.00 N ATOM 62 CE2 TRP A 9 8.418 13.613 -3.309 1.00 0.00 C ATOM 63 CE3 TRP A 9 9.269 11.351 -3.165 1.00 0.00 C ATOM 64 CZ2 TRP A 9 8.461 13.562 -4.696 1.00 0.00 C ATOM 65 CZ3 TRP A 9 9.308 11.296 -4.563 1.00 0.00 C ATOM 66 CH2 TRP A 9 8.901 12.399 -5.324 1.00 0.00 C ATOM 0 H TRP A 9 6.830 11.901 -1.445 1.00 0.00 H new ATOM 0 HA TRP A 9 7.685 10.403 0.925 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.303 12.609 0.885 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.585 11.224 -0.152 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.932 14.705 -0.217 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.712 15.508 -2.660 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.588 10.499 -2.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 8.156 14.416 -5.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.653 10.400 -5.057 1.00 0.00 H new ATOM 0 HH2 TRP A 9 8.928 12.348 -6.402 1.00 0.00 H new ATOM 77 N GLU A 10 5.606 12.532 1.568 1.00 0.00 N ATOM 78 CA GLU A 10 4.944 13.379 2.620 1.00 0.00 C ATOM 79 C GLU A 10 3.730 12.637 3.194 1.00 0.00 C ATOM 80 O GLU A 10 3.327 12.876 4.315 1.00 0.00 O ATOM 81 CB GLU A 10 4.492 14.713 1.996 1.00 0.00 C ATOM 82 CG GLU A 10 5.656 15.710 2.001 1.00 0.00 C ATOM 83 CD GLU A 10 5.267 16.957 1.204 1.00 0.00 C ATOM 84 OE1 GLU A 10 4.082 17.155 0.993 1.00 0.00 O ATOM 85 OE2 GLU A 10 6.162 17.692 0.820 1.00 0.00 O ATOM 0 H GLU A 10 4.983 12.190 0.836 1.00 0.00 H new ATOM 0 HA GLU A 10 5.653 13.578 3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.146 14.549 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.650 15.120 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.908 15.985 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.544 15.250 1.566 1.00 0.00 H new ATOM 92 N ARG A 11 3.140 11.743 2.445 1.00 0.00 N ATOM 93 CA ARG A 11 1.954 11.007 2.978 1.00 0.00 C ATOM 94 C ARG A 11 2.418 9.896 3.922 1.00 0.00 C ATOM 95 O ARG A 11 3.589 9.583 4.006 1.00 0.00 O ATOM 96 CB ARG A 11 1.136 10.402 1.830 1.00 0.00 C ATOM 97 CG ARG A 11 2.024 9.539 0.934 1.00 0.00 C ATOM 98 CD ARG A 11 1.283 9.246 -0.378 1.00 0.00 C ATOM 99 NE ARG A 11 -0.178 9.125 -0.117 1.00 0.00 N ATOM 100 CZ ARG A 11 -1.024 9.207 -1.109 1.00 0.00 C ATOM 101 NH1 ARG A 11 -0.585 9.379 -2.325 1.00 0.00 N ATOM 102 NH2 ARG A 11 -2.307 9.119 -0.885 1.00 0.00 N ATOM 0 H ARG A 11 3.423 11.492 1.498 1.00 0.00 H new ATOM 0 HA ARG A 11 1.324 11.709 3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.323 9.799 2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.681 11.198 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.963 10.053 0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.275 8.607 1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.468 10.044 -1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.660 8.324 -0.821 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.517 8.978 0.834 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.417 9.449 -2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.244 9.443 -3.101 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.651 8.986 0.066 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.966 9.183 -1.661 1.00 0.00 H new ATOM 116 N TYR A 12 1.499 9.303 4.639 1.00 0.00 N ATOM 117 CA TYR A 12 1.857 8.210 5.598 1.00 0.00 C ATOM 118 C TYR A 12 1.551 6.856 4.951 1.00 0.00 C ATOM 119 O TYR A 12 1.978 5.819 5.421 1.00 0.00 O ATOM 120 CB TYR A 12 1.028 8.379 6.882 1.00 0.00 C ATOM 121 CG TYR A 12 -0.342 8.916 6.531 1.00 0.00 C ATOM 122 CD1 TYR A 12 -0.493 10.260 6.169 1.00 0.00 C ATOM 123 CD2 TYR A 12 -1.457 8.071 6.561 1.00 0.00 C ATOM 124 CE1 TYR A 12 -1.759 10.759 5.838 1.00 0.00 C ATOM 125 CE2 TYR A 12 -2.722 8.568 6.231 1.00 0.00 C ATOM 126 CZ TYR A 12 -2.874 9.912 5.869 1.00 0.00 C ATOM 127 OH TYR A 12 -4.121 10.403 5.543 1.00 0.00 O ATOM 0 H TYR A 12 0.505 9.530 4.602 1.00 0.00 H new ATOM 0 HA TYR A 12 2.918 8.258 5.845 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.935 7.422 7.396 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.533 9.060 7.567 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.367 10.912 6.145 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.341 7.034 6.839 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -1.875 11.796 5.559 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.582 7.915 6.255 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.784 9.685 5.614 1.00 0.00 H new ATOM 137 N THR A 13 0.818 6.866 3.870 1.00 0.00 N ATOM 138 CA THR A 13 0.472 5.596 3.162 1.00 0.00 C ATOM 139 C THR A 13 0.672 5.819 1.661 1.00 0.00 C ATOM 140 O THR A 13 0.611 6.935 1.187 1.00 0.00 O ATOM 141 CB THR A 13 -0.998 5.236 3.451 1.00 0.00 C ATOM 142 OG1 THR A 13 -1.775 6.425 3.420 1.00 0.00 O ATOM 143 CG2 THR A 13 -1.154 4.568 4.838 1.00 0.00 C ATOM 0 H THR A 13 0.439 7.710 3.441 1.00 0.00 H new ATOM 0 HA THR A 13 1.107 4.779 3.505 1.00 0.00 H new ATOM 0 HB THR A 13 -1.336 4.530 2.692 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.698 6.206 3.172 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.203 4.327 5.010 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.562 3.654 4.870 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.807 5.252 5.612 1.00 0.00 H new ATOM 151 N LEU A 14 0.937 4.773 0.912 1.00 0.00 N ATOM 152 CA LEU A 14 1.171 4.930 -0.564 1.00 0.00 C ATOM 153 C LEU A 14 0.016 4.318 -1.360 1.00 0.00 C ATOM 154 O LEU A 14 -0.554 3.315 -0.990 1.00 0.00 O ATOM 155 CB LEU A 14 2.488 4.216 -0.944 1.00 0.00 C ATOM 156 CG LEU A 14 3.674 5.177 -0.804 1.00 0.00 C ATOM 157 CD1 LEU A 14 3.969 5.442 0.674 1.00 0.00 C ATOM 158 CD2 LEU A 14 4.909 4.564 -1.462 1.00 0.00 C ATOM 0 H LEU A 14 1.002 3.816 1.258 1.00 0.00 H new ATOM 0 HA LEU A 14 1.235 5.992 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.637 3.348 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.428 3.849 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 14 3.424 6.119 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.813 6.126 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.093 5.887 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.211 4.503 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.752 5.248 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.149 3.619 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.708 4.387 -2.519 1.00 0.00 H new ATOM 170 N THR A 15 -0.304 4.917 -2.475 1.00 0.00 N ATOM 171 CA THR A 15 -1.398 4.384 -3.330 1.00 0.00 C ATOM 172 C THR A 15 -0.875 3.176 -4.096 1.00 0.00 C ATOM 173 O THR A 15 0.257 2.766 -3.931 1.00 0.00 O ATOM 174 CB THR A 15 -1.831 5.461 -4.332 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.686 6.175 -4.772 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.806 6.434 -3.673 1.00 0.00 C ATOM 0 H THR A 15 0.150 5.758 -2.831 1.00 0.00 H new ATOM 0 HA THR A 15 -2.248 4.099 -2.710 1.00 0.00 H new ATOM 0 HB THR A 15 -2.323 4.983 -5.179 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.968 6.958 -5.290 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.106 7.194 -4.395 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.687 5.891 -3.331 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.322 6.913 -2.822 1.00 0.00 H new ATOM 184 N ILE A 16 -1.680 2.610 -4.949 1.00 0.00 N ATOM 185 CA ILE A 16 -1.208 1.452 -5.727 1.00 0.00 C ATOM 186 C ILE A 16 -0.118 1.942 -6.682 1.00 0.00 C ATOM 187 O ILE A 16 0.874 1.281 -6.905 1.00 0.00 O ATOM 188 CB ILE A 16 -2.377 0.863 -6.533 1.00 0.00 C ATOM 189 CG1 ILE A 16 -3.287 0.023 -5.609 1.00 0.00 C ATOM 190 CG2 ILE A 16 -1.834 0.000 -7.684 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.733 -1.397 -5.434 1.00 0.00 C ATOM 0 H ILE A 16 -2.639 2.903 -5.135 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.815 0.680 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.968 1.676 -6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.369 0.507 -4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.292 -0.024 -6.028 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.667 -0.415 -8.252 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.218 0.615 -8.340 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.232 -0.812 -7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.392 -1.967 -4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.675 -1.887 -6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.738 -1.347 -4.992 1.00 0.00 H new ATOM 203 N GLU A 17 -0.306 3.102 -7.250 1.00 0.00 N ATOM 204 CA GLU A 17 0.713 3.640 -8.190 1.00 0.00 C ATOM 205 C GLU A 17 1.959 4.016 -7.391 1.00 0.00 C ATOM 206 O GLU A 17 3.068 3.700 -7.773 1.00 0.00 O ATOM 207 CB GLU A 17 0.155 4.866 -8.929 1.00 0.00 C ATOM 208 CG GLU A 17 -0.745 5.673 -7.993 1.00 0.00 C ATOM 209 CD GLU A 17 -1.020 7.045 -8.613 1.00 0.00 C ATOM 210 OE1 GLU A 17 -1.768 7.099 -9.574 1.00 0.00 O ATOM 211 OE2 GLU A 17 -0.478 8.018 -8.116 1.00 0.00 O ATOM 0 H GLU A 17 -1.120 3.698 -7.103 1.00 0.00 H new ATOM 0 HA GLU A 17 0.970 2.886 -8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.974 5.490 -9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.410 4.547 -9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.682 5.143 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.266 5.790 -7.021 1.00 0.00 H new ATOM 218 N GLU A 18 1.790 4.664 -6.269 1.00 0.00 N ATOM 219 CA GLU A 18 2.962 5.020 -5.449 1.00 0.00 C ATOM 220 C GLU A 18 3.589 3.718 -4.945 1.00 0.00 C ATOM 221 O GLU A 18 4.793 3.591 -4.843 1.00 0.00 O ATOM 222 CB GLU A 18 2.495 5.873 -4.267 1.00 0.00 C ATOM 223 CG GLU A 18 2.319 7.338 -4.692 1.00 0.00 C ATOM 224 CD GLU A 18 1.505 7.415 -5.985 1.00 0.00 C ATOM 225 OE1 GLU A 18 2.003 6.964 -7.004 1.00 0.00 O ATOM 226 OE2 GLU A 18 0.400 7.928 -5.935 1.00 0.00 O ATOM 0 H GLU A 18 0.888 4.958 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 18 3.693 5.586 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.552 5.485 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.221 5.809 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.816 7.896 -3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.294 7.802 -4.839 1.00 0.00 H new ATOM 233 N ALA A 19 2.769 2.743 -4.638 1.00 0.00 N ATOM 234 CA ALA A 19 3.303 1.440 -4.153 1.00 0.00 C ATOM 235 C ALA A 19 4.044 0.745 -5.294 1.00 0.00 C ATOM 236 O ALA A 19 5.149 0.283 -5.137 1.00 0.00 O ATOM 237 CB ALA A 19 2.155 0.547 -3.678 1.00 0.00 C ATOM 0 H ALA A 19 1.753 2.797 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 19 3.984 1.619 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.555 -0.403 -3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.623 1.041 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.468 0.367 -4.505 1.00 0.00 H new ATOM 243 N SER A 20 3.447 0.657 -6.448 1.00 0.00 N ATOM 244 CA SER A 20 4.147 -0.014 -7.573 1.00 0.00 C ATOM 245 C SER A 20 5.521 0.633 -7.773 1.00 0.00 C ATOM 246 O SER A 20 6.505 -0.035 -8.000 1.00 0.00 O ATOM 247 CB SER A 20 3.325 0.131 -8.846 1.00 0.00 C ATOM 248 OG SER A 20 3.387 1.479 -9.295 1.00 0.00 O ATOM 0 H SER A 20 2.516 1.016 -6.659 1.00 0.00 H new ATOM 0 HA SER A 20 4.272 -1.072 -7.344 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.706 -0.539 -9.617 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.290 -0.155 -8.659 1.00 0.00 H new ATOM 0 HG SER A 20 3.172 2.081 -8.552 1.00 0.00 H new ATOM 254 N LYS A 21 5.600 1.929 -7.688 1.00 0.00 N ATOM 255 CA LYS A 21 6.917 2.603 -7.863 1.00 0.00 C ATOM 256 C LYS A 21 7.766 2.384 -6.601 1.00 0.00 C ATOM 257 O LYS A 21 8.838 1.818 -6.648 1.00 0.00 O ATOM 258 CB LYS A 21 6.684 4.106 -8.112 1.00 0.00 C ATOM 259 CG LYS A 21 8.010 4.911 -7.974 1.00 0.00 C ATOM 260 CD LYS A 21 8.049 5.694 -6.637 1.00 0.00 C ATOM 261 CE LYS A 21 9.497 5.858 -6.168 1.00 0.00 C ATOM 262 NZ LYS A 21 10.330 6.376 -7.290 1.00 0.00 N ATOM 0 H LYS A 21 4.813 2.551 -7.505 1.00 0.00 H new ATOM 0 HA LYS A 21 7.448 2.185 -8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.269 4.252 -9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.949 4.486 -7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.860 4.230 -8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.107 5.605 -8.809 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.587 6.673 -6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.470 5.165 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.541 6.544 -5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.889 4.901 -5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.214 6.771 -6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.550 5.600 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.807 7.119 -7.796 1.00 0.00 H new ATOM 276 N TYR A 22 7.284 2.843 -5.483 1.00 0.00 N ATOM 277 CA TYR A 22 8.022 2.696 -4.188 1.00 0.00 C ATOM 278 C TYR A 22 8.089 1.215 -3.778 1.00 0.00 C ATOM 279 O TYR A 22 9.148 0.644 -3.608 1.00 0.00 O ATOM 280 CB TYR A 22 7.226 3.481 -3.136 1.00 0.00 C ATOM 281 CG TYR A 22 8.106 3.983 -2.014 1.00 0.00 C ATOM 282 CD1 TYR A 22 8.841 5.165 -2.168 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.149 3.286 -0.804 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.621 5.645 -1.110 1.00 0.00 C ATOM 285 CE2 TYR A 22 8.928 3.758 0.253 1.00 0.00 C ATOM 286 CZ TYR A 22 9.665 4.942 0.103 1.00 0.00 C ATOM 287 OH TYR A 22 10.433 5.414 1.147 1.00 0.00 O ATOM 0 H TYR A 22 6.389 3.326 -5.405 1.00 0.00 H new ATOM 0 HA TYR A 22 9.042 3.069 -4.280 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.731 4.326 -3.613 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.443 2.844 -2.725 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.806 5.706 -3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.577 2.378 -0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.189 6.556 -1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.963 3.213 1.185 1.00 0.00 H new ATOM 0 HH TYR A 22 10.350 4.809 1.913 1.00 0.00 H new ATOM 297 N PHE A 23 6.945 0.607 -3.625 1.00 0.00 N ATOM 298 CA PHE A 23 6.859 -0.829 -3.231 1.00 0.00 C ATOM 299 C PHE A 23 6.777 -1.685 -4.488 1.00 0.00 C ATOM 300 O PHE A 23 5.747 -2.239 -4.788 1.00 0.00 O ATOM 301 CB PHE A 23 5.600 -1.063 -2.382 1.00 0.00 C ATOM 302 CG PHE A 23 5.861 -0.649 -0.959 1.00 0.00 C ATOM 303 CD1 PHE A 23 5.636 0.671 -0.562 1.00 0.00 C ATOM 304 CD2 PHE A 23 6.336 -1.587 -0.041 1.00 0.00 C ATOM 305 CE1 PHE A 23 5.887 1.057 0.759 1.00 0.00 C ATOM 306 CE2 PHE A 23 6.589 -1.209 1.278 1.00 0.00 C ATOM 307 CZ PHE A 23 6.365 0.116 1.682 1.00 0.00 C ATOM 0 H PHE A 23 6.041 1.059 -3.761 1.00 0.00 H new ATOM 0 HA PHE A 23 7.741 -1.098 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.765 -0.493 -2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.316 -2.115 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.268 1.394 -1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.508 -2.607 -0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.713 2.077 1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.957 -1.936 1.987 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.561 0.411 2.702 1.00 0.00 H new ATOM 317 N ARG A 24 7.837 -1.763 -5.235 1.00 0.00 N ATOM 318 CA ARG A 24 7.816 -2.572 -6.492 1.00 0.00 C ATOM 319 C ARG A 24 7.169 -3.936 -6.246 1.00 0.00 C ATOM 320 O ARG A 24 7.840 -4.929 -6.044 1.00 0.00 O ATOM 321 CB ARG A 24 9.243 -2.775 -7.002 1.00 0.00 C ATOM 322 CG ARG A 24 9.905 -1.399 -7.254 1.00 0.00 C ATOM 323 CD ARG A 24 10.560 -0.832 -5.960 1.00 0.00 C ATOM 324 NE ARG A 24 12.019 -0.549 -6.186 1.00 0.00 N ATOM 325 CZ ARG A 24 12.828 -1.454 -6.676 1.00 0.00 C ATOM 326 NH1 ARG A 24 12.399 -2.660 -6.918 1.00 0.00 N ATOM 327 NH2 ARG A 24 14.077 -1.151 -6.901 1.00 0.00 N ATOM 0 H ARG A 24 8.724 -1.301 -5.033 1.00 0.00 H new ATOM 0 HA ARG A 24 7.231 -2.033 -7.237 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.823 -3.341 -6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.231 -3.358 -7.923 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.661 -1.496 -8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.157 -0.697 -7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.049 0.082 -5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.445 -1.546 -5.145 1.00 0.00 H new ATOM 0 HE ARG A 24 12.388 0.372 -5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.427 -2.904 -6.726 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.035 -3.360 -7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.419 -0.212 -6.695 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.711 -1.853 -7.283 1.00 0.00 H new ATOM 341 N ILE A 25 5.865 -3.983 -6.284 1.00 0.00 N ATOM 342 CA ILE A 25 5.123 -5.262 -6.077 1.00 0.00 C ATOM 343 C ILE A 25 4.179 -5.445 -7.266 1.00 0.00 C ATOM 344 O ILE A 25 3.835 -4.494 -7.940 1.00 0.00 O ATOM 345 CB ILE A 25 4.286 -5.174 -4.788 1.00 0.00 C ATOM 346 CG1 ILE A 25 5.182 -5.076 -3.537 1.00 0.00 C ATOM 347 CG2 ILE A 25 3.386 -6.407 -4.674 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.209 -6.211 -3.496 1.00 0.00 C ATOM 0 H ILE A 25 5.270 -3.172 -6.453 1.00 0.00 H new ATOM 0 HA ILE A 25 5.820 -6.096 -5.994 1.00 0.00 H new ATOM 0 HB ILE A 25 3.679 -4.270 -4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.698 -4.116 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.563 -5.111 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.794 -6.342 -3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.720 -6.452 -5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.002 -7.306 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.825 -6.113 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.691 -7.170 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.844 -6.160 -4.381 1.00 0.00 H new ATOM 360 N GLY A 26 3.746 -6.644 -7.532 1.00 0.00 N ATOM 361 CA GLY A 26 2.817 -6.845 -8.678 1.00 0.00 C ATOM 362 C GLY A 26 1.635 -5.885 -8.527 1.00 0.00 C ATOM 363 O GLY A 26 0.896 -5.945 -7.565 1.00 0.00 O ATOM 0 H GLY A 26 3.992 -7.486 -7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.334 -6.662 -9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.465 -7.876 -8.703 1.00 0.00 H new ATOM 367 N GLU A 27 1.459 -4.991 -9.463 1.00 0.00 N ATOM 368 CA GLU A 27 0.332 -4.015 -9.368 1.00 0.00 C ATOM 369 C GLU A 27 -0.957 -4.749 -8.982 1.00 0.00 C ATOM 370 O GLU A 27 -1.554 -4.484 -7.958 1.00 0.00 O ATOM 371 CB GLU A 27 0.140 -3.333 -10.725 1.00 0.00 C ATOM 372 CG GLU A 27 1.250 -2.302 -10.942 1.00 0.00 C ATOM 373 CD GLU A 27 1.028 -1.581 -12.273 1.00 0.00 C ATOM 374 OE1 GLU A 27 1.125 -2.232 -13.300 1.00 0.00 O ATOM 375 OE2 GLU A 27 0.766 -0.390 -12.242 1.00 0.00 O ATOM 0 H GLU A 27 2.047 -4.893 -10.291 1.00 0.00 H new ATOM 0 HA GLU A 27 0.563 -3.268 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.158 -4.076 -11.523 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.835 -2.847 -10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.257 -1.582 -10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.223 -2.794 -10.941 1.00 0.00 H new ATOM 382 N ASN A 28 -1.389 -5.664 -9.802 1.00 0.00 N ATOM 383 CA ASN A 28 -2.640 -6.418 -9.502 1.00 0.00 C ATOM 384 C ASN A 28 -2.464 -7.246 -8.228 1.00 0.00 C ATOM 385 O ASN A 28 -3.424 -7.617 -7.583 1.00 0.00 O ATOM 386 CB ASN A 28 -2.956 -7.353 -10.668 1.00 0.00 C ATOM 387 CG ASN A 28 -1.764 -8.278 -10.918 1.00 0.00 C ATOM 388 OD1 ASN A 28 -0.630 -7.842 -10.913 1.00 0.00 O ATOM 389 ND2 ASN A 28 -1.974 -9.547 -11.138 1.00 0.00 N ATOM 0 H ASN A 28 -0.927 -5.925 -10.673 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.456 -5.710 -9.358 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.846 -7.941 -10.445 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.174 -6.773 -11.565 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.186 -10.173 -11.306 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.926 -9.913 -11.142 1.00 0.00 H new ATOM 396 N LYS A 29 -1.250 -7.539 -7.857 1.00 0.00 N ATOM 397 CA LYS A 29 -1.025 -8.343 -6.622 1.00 0.00 C ATOM 398 C LYS A 29 -1.410 -7.489 -5.412 1.00 0.00 C ATOM 399 O LYS A 29 -1.909 -7.980 -4.419 1.00 0.00 O ATOM 400 CB LYS A 29 0.456 -8.739 -6.555 1.00 0.00 C ATOM 401 CG LYS A 29 0.657 -9.942 -5.622 1.00 0.00 C ATOM 402 CD LYS A 29 0.442 -9.537 -4.142 1.00 0.00 C ATOM 403 CE LYS A 29 1.458 -10.263 -3.250 1.00 0.00 C ATOM 404 NZ LYS A 29 1.661 -11.649 -3.757 1.00 0.00 N ATOM 0 H LYS A 29 -0.405 -7.258 -8.353 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.632 -9.248 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.817 -8.983 -7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.047 -7.895 -6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.040 -10.736 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.662 -10.343 -5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.553 -8.458 -4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.572 -9.787 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.405 -9.723 -3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.101 -10.289 -2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.965 -12.264 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.769 -12.008 -4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.391 -11.644 -4.497 1.00 0.00 H new ATOM 418 N LEU A 30 -1.198 -6.207 -5.506 1.00 0.00 N ATOM 419 CA LEU A 30 -1.563 -5.289 -4.389 1.00 0.00 C ATOM 420 C LEU A 30 -3.087 -5.172 -4.308 1.00 0.00 C ATOM 421 O LEU A 30 -3.696 -5.495 -3.308 1.00 0.00 O ATOM 422 CB LEU A 30 -0.978 -3.905 -4.671 1.00 0.00 C ATOM 423 CG LEU A 30 0.555 -3.944 -4.611 1.00 0.00 C ATOM 424 CD1 LEU A 30 1.106 -2.596 -5.096 1.00 0.00 C ATOM 425 CD2 LEU A 30 1.031 -4.211 -3.169 1.00 0.00 C ATOM 0 H LEU A 30 -0.783 -5.750 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.170 -5.679 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.300 -3.561 -5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.358 -3.188 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 30 0.920 -4.748 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.195 -2.613 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.782 -2.418 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.733 -1.798 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.120 -4.236 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.671 -3.418 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.639 -5.169 -2.828 1.00 0.00 H new ATOM 437 N ARG A 31 -3.701 -4.698 -5.357 1.00 0.00 N ATOM 438 CA ARG A 31 -5.183 -4.539 -5.359 1.00 0.00 C ATOM 439 C ARG A 31 -5.855 -5.858 -4.963 1.00 0.00 C ATOM 440 O ARG A 31 -6.934 -5.869 -4.405 1.00 0.00 O ATOM 441 CB ARG A 31 -5.635 -4.116 -6.764 1.00 0.00 C ATOM 442 CG ARG A 31 -7.173 -4.174 -6.877 1.00 0.00 C ATOM 443 CD ARG A 31 -7.673 -5.611 -7.174 1.00 0.00 C ATOM 444 NE ARG A 31 -8.525 -5.587 -8.394 1.00 0.00 N ATOM 445 CZ ARG A 31 -8.826 -6.703 -8.999 1.00 0.00 C ATOM 446 NH1 ARG A 31 -8.372 -7.836 -8.538 1.00 0.00 N ATOM 447 NH2 ARG A 31 -9.582 -6.687 -10.063 1.00 0.00 N ATOM 0 H ARG A 31 -3.236 -4.412 -6.219 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.471 -3.776 -4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.287 -3.105 -6.976 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.185 -4.771 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.620 -3.818 -5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.505 -3.502 -7.669 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.826 -6.281 -7.320 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.241 -5.994 -6.326 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.873 -4.699 -8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.783 -7.848 -7.706 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.607 -8.709 -9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.938 -5.801 -10.422 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.817 -7.560 -10.535 1.00 0.00 H new ATOM 461 N ARG A 32 -5.232 -6.969 -5.245 1.00 0.00 N ATOM 462 CA ARG A 32 -5.845 -8.280 -4.885 1.00 0.00 C ATOM 463 C ARG A 32 -5.730 -8.509 -3.375 1.00 0.00 C ATOM 464 O ARG A 32 -6.583 -9.114 -2.763 1.00 0.00 O ATOM 465 CB ARG A 32 -5.114 -9.405 -5.626 1.00 0.00 C ATOM 466 CG ARG A 32 -5.926 -10.714 -5.544 1.00 0.00 C ATOM 467 CD ARG A 32 -6.999 -10.754 -6.652 1.00 0.00 C ATOM 468 NE ARG A 32 -8.235 -11.424 -6.134 1.00 0.00 N ATOM 469 CZ ARG A 32 -8.176 -12.573 -5.512 1.00 0.00 C ATOM 470 NH1 ARG A 32 -7.058 -13.243 -5.459 1.00 0.00 N ATOM 471 NH2 ARG A 32 -9.258 -13.079 -4.983 1.00 0.00 N ATOM 0 H ARG A 32 -4.325 -7.026 -5.709 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.897 -8.275 -5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.965 -9.126 -6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.126 -9.554 -5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.259 -11.570 -5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.401 -10.794 -4.566 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.233 -9.742 -6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.619 -11.292 -7.520 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.141 -10.975 -6.269 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.219 -12.872 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.023 -14.138 -4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.144 -12.578 -5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.217 -13.975 -4.497 1.00 0.00 H new ATOM 485 N LEU A 33 -4.678 -8.037 -2.769 1.00 0.00 N ATOM 486 CA LEU A 33 -4.511 -8.243 -1.301 1.00 0.00 C ATOM 487 C LEU A 33 -5.644 -7.540 -0.538 1.00 0.00 C ATOM 488 O LEU A 33 -6.255 -8.108 0.346 1.00 0.00 O ATOM 489 CB LEU A 33 -3.157 -7.659 -0.858 1.00 0.00 C ATOM 490 CG LEU A 33 -2.021 -8.676 -1.080 1.00 0.00 C ATOM 491 CD1 LEU A 33 -0.680 -7.932 -1.182 1.00 0.00 C ATOM 492 CD2 LEU A 33 -1.960 -9.669 0.094 1.00 0.00 C ATOM 0 H LEU A 33 -3.927 -7.518 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.544 -9.310 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.949 -6.747 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.203 -7.383 0.195 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.213 -9.224 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.124 -8.651 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.713 -7.236 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.499 -7.381 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.153 -10.383 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.776 -9.126 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.907 -10.203 0.168 1.00 0.00 H new ATOM 504 N ALA A 34 -5.909 -6.303 -0.853 1.00 0.00 N ATOM 505 CA ALA A 34 -6.977 -5.553 -0.126 1.00 0.00 C ATOM 506 C ALA A 34 -8.370 -6.036 -0.548 1.00 0.00 C ATOM 507 O ALA A 34 -9.188 -6.388 0.278 1.00 0.00 O ATOM 508 CB ALA A 34 -6.844 -4.063 -0.444 1.00 0.00 C ATOM 0 H ALA A 34 -5.432 -5.776 -1.584 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.860 -5.726 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.620 -3.508 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.864 -3.709 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.953 -3.909 -1.518 1.00 0.00 H new ATOM 514 N GLU A 35 -8.654 -6.031 -1.821 1.00 0.00 N ATOM 515 CA GLU A 35 -10.002 -6.464 -2.294 1.00 0.00 C ATOM 516 C GLU A 35 -10.444 -7.743 -1.569 1.00 0.00 C ATOM 517 O GLU A 35 -11.619 -7.979 -1.378 1.00 0.00 O ATOM 518 CB GLU A 35 -9.948 -6.709 -3.809 1.00 0.00 C ATOM 519 CG GLU A 35 -11.346 -6.545 -4.417 1.00 0.00 C ATOM 520 CD GLU A 35 -11.279 -6.789 -5.925 1.00 0.00 C ATOM 521 OE1 GLU A 35 -10.853 -7.864 -6.314 1.00 0.00 O ATOM 522 OE2 GLU A 35 -11.659 -5.897 -6.667 1.00 0.00 O ATOM 0 H GLU A 35 -8.009 -5.745 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.727 -5.681 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.255 -6.008 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.570 -7.711 -4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.040 -7.247 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.726 -5.543 -4.217 1.00 0.00 H new ATOM 529 N GLU A 36 -9.520 -8.573 -1.166 1.00 0.00 N ATOM 530 CA GLU A 36 -9.909 -9.831 -0.456 1.00 0.00 C ATOM 531 C GLU A 36 -10.071 -9.546 1.032 1.00 0.00 C ATOM 532 O GLU A 36 -11.089 -9.834 1.628 1.00 0.00 O ATOM 533 CB GLU A 36 -8.814 -10.882 -0.641 1.00 0.00 C ATOM 534 CG GLU A 36 -8.619 -11.149 -2.131 1.00 0.00 C ATOM 535 CD GLU A 36 -7.288 -11.872 -2.359 1.00 0.00 C ATOM 536 OE1 GLU A 36 -6.265 -11.322 -1.983 1.00 0.00 O ATOM 537 OE2 GLU A 36 -7.315 -12.961 -2.906 1.00 0.00 O ATOM 0 H GLU A 36 -8.517 -8.438 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.849 -10.199 -0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.881 -10.534 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.088 -11.804 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.442 -11.754 -2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.632 -10.209 -2.683 1.00 0.00 H new ATOM 544 N ASN A 37 -9.060 -8.990 1.633 1.00 0.00 N ATOM 545 CA ASN A 37 -9.117 -8.684 3.099 1.00 0.00 C ATOM 546 C ASN A 37 -9.420 -7.197 3.314 1.00 0.00 C ATOM 547 O ASN A 37 -8.612 -6.460 3.842 1.00 0.00 O ATOM 548 CB ASN A 37 -7.766 -9.021 3.735 1.00 0.00 C ATOM 549 CG ASN A 37 -7.619 -10.540 3.850 1.00 0.00 C ATOM 550 OD1 ASN A 37 -8.540 -11.223 4.252 1.00 0.00 O ATOM 551 ND2 ASN A 37 -6.490 -11.102 3.511 1.00 0.00 N ATOM 0 H ASN A 37 -8.187 -8.730 1.174 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.905 -9.279 3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.956 -8.612 3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.692 -8.562 4.721 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.382 -12.114 3.584 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.716 -10.529 3.173 1.00 0.00 H new ATOM 558 N LYS A 38 -10.584 -6.753 2.917 1.00 0.00 N ATOM 559 CA LYS A 38 -10.941 -5.315 3.108 1.00 0.00 C ATOM 560 C LYS A 38 -10.616 -4.892 4.546 1.00 0.00 C ATOM 561 O LYS A 38 -10.455 -3.723 4.836 1.00 0.00 O ATOM 562 CB LYS A 38 -12.445 -5.102 2.858 1.00 0.00 C ATOM 563 CG LYS A 38 -12.782 -5.184 1.345 1.00 0.00 C ATOM 564 CD LYS A 38 -13.277 -6.594 0.979 1.00 0.00 C ATOM 565 CE LYS A 38 -14.768 -6.736 1.312 1.00 0.00 C ATOM 566 NZ LYS A 38 -15.580 -6.122 0.224 1.00 0.00 N ATOM 0 H LYS A 38 -11.302 -7.323 2.469 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.367 -4.716 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.016 -5.855 3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.747 -4.130 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.546 -4.448 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.899 -4.938 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.115 -6.780 -0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.702 -7.342 1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.028 -7.789 1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.987 -6.250 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.491 -5.801 0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.068 -5.310 -0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.749 -6.826 -0.523 1.00 0.00 H new ATOM 580 N ASN A 39 -10.538 -5.832 5.453 1.00 0.00 N ATOM 581 CA ASN A 39 -10.247 -5.489 6.877 1.00 0.00 C ATOM 582 C ASN A 39 -8.748 -5.621 7.151 1.00 0.00 C ATOM 583 O ASN A 39 -8.324 -5.767 8.280 1.00 0.00 O ATOM 584 CB ASN A 39 -11.012 -6.456 7.779 1.00 0.00 C ATOM 585 CG ASN A 39 -12.512 -6.338 7.500 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.979 -6.738 6.452 1.00 0.00 O ATOM 587 ND2 ASN A 39 -13.290 -5.803 8.399 1.00 0.00 N ATOM 0 H ASN A 39 -10.664 -6.827 5.267 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.555 -4.462 7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.678 -7.478 7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.808 -6.232 8.826 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.291 -5.720 8.223 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.897 -5.467 9.279 1.00 0.00 H new ATOM 594 N ALA A 40 -7.942 -5.565 6.129 1.00 0.00 N ATOM 595 CA ALA A 40 -6.473 -5.681 6.334 1.00 0.00 C ATOM 596 C ALA A 40 -6.019 -4.615 7.342 1.00 0.00 C ATOM 597 O ALA A 40 -6.554 -3.528 7.397 1.00 0.00 O ATOM 598 CB ALA A 40 -5.764 -5.479 4.981 1.00 0.00 C ATOM 0 H ALA A 40 -8.237 -5.444 5.160 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.220 -6.666 6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.686 -5.562 5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.099 -6.241 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.004 -4.491 4.588 1.00 0.00 H new ATOM 604 N ASN A 41 -5.042 -4.919 8.144 1.00 0.00 N ATOM 605 CA ASN A 41 -4.558 -3.922 9.138 1.00 0.00 C ATOM 606 C ASN A 41 -3.653 -2.889 8.449 1.00 0.00 C ATOM 607 O ASN A 41 -3.143 -1.987 9.086 1.00 0.00 O ATOM 608 CB ASN A 41 -3.772 -4.643 10.235 1.00 0.00 C ATOM 609 CG ASN A 41 -4.540 -5.891 10.675 1.00 0.00 C ATOM 610 OD1 ASN A 41 -4.156 -6.999 10.357 1.00 0.00 O ATOM 611 ND2 ASN A 41 -5.619 -5.757 11.398 1.00 0.00 N ATOM 0 H ASN A 41 -4.556 -5.816 8.156 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.413 -3.407 9.577 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.785 -4.921 9.867 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.619 -3.978 11.085 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.139 -6.582 11.696 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.942 -4.827 11.665 1.00 0.00 H new ATOM 618 N TRP A 42 -3.425 -3.029 7.160 1.00 0.00 N ATOM 619 CA TRP A 42 -2.520 -2.073 6.429 1.00 0.00 C ATOM 620 C TRP A 42 -3.255 -1.371 5.274 1.00 0.00 C ATOM 621 O TRP A 42 -2.759 -0.411 4.721 1.00 0.00 O ATOM 622 CB TRP A 42 -1.343 -2.864 5.853 1.00 0.00 C ATOM 623 CG TRP A 42 -1.874 -4.089 5.184 1.00 0.00 C ATOM 624 CD1 TRP A 42 -1.888 -5.327 5.727 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.482 -4.211 3.866 1.00 0.00 C ATOM 626 NE1 TRP A 42 -2.470 -6.202 4.828 1.00 0.00 N ATOM 627 CE2 TRP A 42 -2.852 -5.562 3.666 1.00 0.00 C ATOM 628 CE3 TRP A 42 -2.746 -3.291 2.836 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.465 -5.984 2.488 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.362 -3.712 1.648 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.722 -5.054 1.474 1.00 0.00 C ATOM 0 H TRP A 42 -3.827 -3.766 6.580 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.181 -1.312 7.131 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.790 -2.253 5.140 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.647 -3.138 6.646 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.507 -5.590 6.703 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.601 -7.198 5.002 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.473 -2.254 2.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.740 -7.020 2.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.560 -2.997 0.863 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.198 -5.371 0.558 1.00 0.00 H new ATOM 642 N LEU A 43 -4.413 -1.836 4.878 1.00 0.00 N ATOM 643 CA LEU A 43 -5.123 -1.179 3.738 1.00 0.00 C ATOM 644 C LEU A 43 -6.029 -0.061 4.266 1.00 0.00 C ATOM 645 O LEU A 43 -6.433 -0.056 5.411 1.00 0.00 O ATOM 646 CB LEU A 43 -5.920 -2.264 2.973 1.00 0.00 C ATOM 647 CG LEU A 43 -7.412 -2.355 3.406 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.571 -2.421 4.947 1.00 0.00 C ATOM 649 CD2 LEU A 43 -8.234 -1.172 2.816 1.00 0.00 C ATOM 0 H LEU A 43 -4.894 -2.635 5.290 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.415 -0.718 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.872 -2.054 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.444 -3.232 3.130 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.806 -3.287 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.629 -2.484 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.053 -3.301 5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.142 -1.525 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.273 -1.258 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.822 -0.228 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.183 -1.200 1.728 1.00 0.00 H new ATOM 661 N ILE A 44 -6.319 0.911 3.439 1.00 0.00 N ATOM 662 CA ILE A 44 -7.167 2.055 3.874 1.00 0.00 C ATOM 663 C ILE A 44 -8.085 2.456 2.711 1.00 0.00 C ATOM 664 O ILE A 44 -7.634 2.714 1.612 1.00 0.00 O ATOM 665 CB ILE A 44 -6.220 3.216 4.261 1.00 0.00 C ATOM 666 CG1 ILE A 44 -5.889 3.146 5.763 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.849 4.578 3.938 1.00 0.00 C ATOM 668 CD1 ILE A 44 -4.579 3.886 6.034 1.00 0.00 C ATOM 0 H ILE A 44 -6.000 0.959 2.471 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.791 1.795 4.729 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.305 3.112 3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.697 3.590 6.345 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.803 2.106 6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.160 5.373 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.055 4.640 2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.780 4.690 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.346 3.836 7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.774 3.422 5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.681 4.929 5.734 1.00 0.00 H new ATOM 680 N MET A 45 -9.369 2.518 2.949 1.00 0.00 N ATOM 681 CA MET A 45 -10.318 2.909 1.864 1.00 0.00 C ATOM 682 C MET A 45 -10.619 4.403 1.966 1.00 0.00 C ATOM 683 O MET A 45 -11.389 4.838 2.800 1.00 0.00 O ATOM 684 CB MET A 45 -11.623 2.121 2.009 1.00 0.00 C ATOM 685 CG MET A 45 -11.363 0.603 1.844 1.00 0.00 C ATOM 686 SD MET A 45 -12.631 -0.125 0.771 1.00 0.00 S ATOM 687 CE MET A 45 -11.897 0.353 -0.816 1.00 0.00 C ATOM 0 H MET A 45 -9.802 2.314 3.850 1.00 0.00 H new ATOM 0 HA MET A 45 -9.867 2.689 0.896 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.065 2.316 2.986 1.00 0.00 H new ATOM 0 HB3 MET A 45 -12.342 2.456 1.261 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.374 0.439 1.417 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.374 0.115 2.819 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.648 0.851 -1.429 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.063 1.032 -0.641 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.538 -0.537 -1.333 1.00 0.00 H new ATOM 697 N ASN A 46 -10.022 5.192 1.116 1.00 0.00 N ATOM 698 CA ASN A 46 -10.270 6.665 1.145 1.00 0.00 C ATOM 699 C ASN A 46 -11.357 7.001 0.125 1.00 0.00 C ATOM 700 O ASN A 46 -11.077 7.404 -0.987 1.00 0.00 O ATOM 701 CB ASN A 46 -8.983 7.407 0.780 1.00 0.00 C ATOM 702 CG ASN A 46 -7.997 7.326 1.947 1.00 0.00 C ATOM 703 OD1 ASN A 46 -6.839 7.013 1.759 1.00 0.00 O ATOM 704 ND2 ASN A 46 -8.410 7.597 3.155 1.00 0.00 N ATOM 0 H ASN A 46 -9.369 4.880 0.398 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.589 6.968 2.142 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.540 6.970 -0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.205 8.449 0.549 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.760 7.546 3.940 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.382 7.860 3.314 1.00 0.00 H new ATOM 711 N GLY A 47 -12.597 6.824 0.489 1.00 0.00 N ATOM 712 CA GLY A 47 -13.700 7.117 -0.465 1.00 0.00 C ATOM 713 C GLY A 47 -13.841 5.945 -1.423 1.00 0.00 C ATOM 714 O GLY A 47 -14.810 5.213 -1.392 1.00 0.00 O ATOM 0 H GLY A 47 -12.893 6.489 1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.633 7.278 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.489 8.033 -1.017 1.00 0.00 H new ATOM 718 N ASN A 48 -12.881 5.767 -2.286 1.00 0.00 N ATOM 719 CA ASN A 48 -12.957 4.648 -3.263 1.00 0.00 C ATOM 720 C ASN A 48 -11.550 4.155 -3.632 1.00 0.00 C ATOM 721 O ASN A 48 -11.391 3.097 -4.206 1.00 0.00 O ATOM 722 CB ASN A 48 -13.670 5.156 -4.511 1.00 0.00 C ATOM 723 CG ASN A 48 -13.992 3.980 -5.434 1.00 0.00 C ATOM 724 OD1 ASN A 48 -13.549 3.940 -6.565 1.00 0.00 O ATOM 725 ND2 ASN A 48 -14.750 3.011 -4.997 1.00 0.00 N ATOM 0 H ASN A 48 -12.046 6.349 -2.357 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.503 3.813 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.588 5.674 -4.232 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.042 5.879 -5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.970 2.222 -5.605 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.122 3.043 -4.048 1.00 0.00 H new ATOM 732 N ARG A 49 -10.526 4.913 -3.323 1.00 0.00 N ATOM 733 CA ARG A 49 -9.138 4.481 -3.677 1.00 0.00 C ATOM 734 C ARG A 49 -8.492 3.739 -2.502 1.00 0.00 C ATOM 735 O ARG A 49 -8.474 4.216 -1.385 1.00 0.00 O ATOM 736 CB ARG A 49 -8.300 5.715 -4.014 1.00 0.00 C ATOM 737 CG ARG A 49 -8.944 6.470 -5.180 1.00 0.00 C ATOM 738 CD ARG A 49 -8.343 7.875 -5.267 1.00 0.00 C ATOM 739 NE ARG A 49 -8.741 8.529 -6.560 1.00 0.00 N ATOM 740 CZ ARG A 49 -8.430 8.014 -7.721 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.631 6.986 -7.800 1.00 0.00 N ATOM 742 NH2 ARG A 49 -8.886 8.563 -8.814 1.00 0.00 N ATOM 0 H ARG A 49 -10.591 5.810 -2.842 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.184 3.811 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.226 6.366 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.285 5.417 -4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.777 5.932 -6.113 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.023 6.532 -5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.685 8.478 -4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.257 7.819 -5.198 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.270 9.401 -6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.242 6.576 -6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.395 6.592 -8.711 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.482 9.389 -8.760 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.647 8.166 -9.722 1.00 0.00 H new ATOM 756 N ILE A 50 -7.950 2.578 -2.757 1.00 0.00 N ATOM 757 CA ILE A 50 -7.286 1.793 -1.674 1.00 0.00 C ATOM 758 C ILE A 50 -5.834 2.265 -1.534 1.00 0.00 C ATOM 759 O ILE A 50 -5.115 2.352 -2.511 1.00 0.00 O ATOM 760 CB ILE A 50 -7.313 0.306 -2.052 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.752 -0.217 -1.962 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.420 -0.494 -1.100 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.861 -1.554 -2.700 1.00 0.00 C ATOM 0 H ILE A 50 -7.938 2.136 -3.676 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.807 1.939 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.942 0.190 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.039 -0.342 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.441 0.507 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.446 -1.548 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.396 -0.126 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.781 -0.378 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.884 -1.923 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.592 -1.415 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.184 -2.277 -2.245 1.00 0.00 H new ATOM 775 N GLN A 51 -5.391 2.568 -0.329 1.00 0.00 N ATOM 776 CA GLN A 51 -3.975 3.033 -0.131 1.00 0.00 C ATOM 777 C GLN A 51 -3.181 1.971 0.639 1.00 0.00 C ATOM 778 O GLN A 51 -3.706 1.265 1.477 1.00 0.00 O ATOM 779 CB GLN A 51 -3.961 4.375 0.636 1.00 0.00 C ATOM 780 CG GLN A 51 -2.728 5.196 0.216 1.00 0.00 C ATOM 781 CD GLN A 51 -2.693 6.535 0.959 1.00 0.00 C ATOM 782 OE1 GLN A 51 -3.566 6.826 1.752 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.708 7.370 0.731 1.00 0.00 N ATOM 0 H GLN A 51 -5.949 2.513 0.523 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.509 3.183 -1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.872 4.935 0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.940 4.191 1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.820 4.632 0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.750 5.371 -0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.975 7.125 0.065 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.674 8.265 1.220 1.00 0.00 H new ATOM 792 N ILE A 52 -1.913 1.857 0.341 1.00 0.00 N ATOM 793 CA ILE A 52 -1.049 0.846 1.022 1.00 0.00 C ATOM 794 C ILE A 52 -0.366 1.478 2.235 1.00 0.00 C ATOM 795 O ILE A 52 -0.069 2.655 2.245 1.00 0.00 O ATOM 796 CB ILE A 52 0.041 0.391 0.052 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.587 -0.171 -1.235 1.00 0.00 C ATOM 798 CG2 ILE A 52 0.909 -0.671 0.726 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.562 -1.310 -0.921 1.00 0.00 C ATOM 0 H ILE A 52 -1.433 2.429 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.666 0.005 1.337 1.00 0.00 H new ATOM 0 HB ILE A 52 0.662 1.246 -0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.111 0.624 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.198 -0.533 -1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.687 -0.997 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.370 -0.251 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.290 -1.524 1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.991 -1.688 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.030 -2.114 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.360 -0.939 -0.277 1.00 0.00 H new ATOM 811 N LYS A 53 -0.087 0.704 3.254 1.00 0.00 N ATOM 812 CA LYS A 53 0.602 1.276 4.448 1.00 0.00 C ATOM 813 C LYS A 53 2.103 1.343 4.161 1.00 0.00 C ATOM 814 O LYS A 53 2.641 0.533 3.434 1.00 0.00 O ATOM 815 CB LYS A 53 0.332 0.404 5.685 1.00 0.00 C ATOM 816 CG LYS A 53 0.626 1.195 6.974 1.00 0.00 C ATOM 817 CD LYS A 53 -0.110 0.553 8.156 1.00 0.00 C ATOM 818 CE LYS A 53 0.276 1.271 9.450 1.00 0.00 C ATOM 819 NZ LYS A 53 1.675 0.914 9.815 1.00 0.00 N ATOM 0 H LYS A 53 -0.305 -0.291 3.310 1.00 0.00 H new ATOM 0 HA LYS A 53 0.222 2.277 4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.706 0.071 5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.954 -0.491 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.699 1.209 7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.309 2.231 6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.187 0.612 8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.144 -0.505 8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.186 2.350 9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.405 0.988 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.161 1.754 10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.665 0.168 10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.177 0.571 8.971 1.00 0.00 H new ATOM 833 N ARG A 54 2.778 2.320 4.705 1.00 0.00 N ATOM 834 CA ARG A 54 4.244 2.467 4.448 1.00 0.00 C ATOM 835 C ARG A 54 5.052 1.928 5.635 1.00 0.00 C ATOM 836 O ARG A 54 6.090 1.323 5.463 1.00 0.00 O ATOM 837 CB ARG A 54 4.560 3.954 4.267 1.00 0.00 C ATOM 838 CG ARG A 54 6.003 4.125 3.786 1.00 0.00 C ATOM 839 CD ARG A 54 6.354 5.615 3.762 1.00 0.00 C ATOM 840 NE ARG A 54 7.824 5.780 3.597 1.00 0.00 N ATOM 841 CZ ARG A 54 8.313 6.943 3.264 1.00 0.00 C ATOM 842 NH1 ARG A 54 7.510 7.955 3.076 1.00 0.00 N ATOM 843 NH2 ARG A 54 9.601 7.094 3.121 1.00 0.00 N ATOM 0 H ARG A 54 2.376 3.028 5.320 1.00 0.00 H new ATOM 0 HA ARG A 54 4.511 1.903 3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.872 4.396 3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.417 4.483 5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.685 3.589 4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.120 3.696 2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.829 6.109 2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.026 6.091 4.686 1.00 0.00 H new ATOM 0 HE ARG A 54 8.447 4.986 3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.503 7.835 3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.889 8.865 2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.227 6.302 3.270 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.982 8.004 2.861 1.00 0.00 H new ATOM 857 N LYS A 55 4.603 2.163 6.840 1.00 0.00 N ATOM 858 CA LYS A 55 5.374 1.684 8.026 1.00 0.00 C ATOM 859 C LYS A 55 5.300 0.158 8.152 1.00 0.00 C ATOM 860 O LYS A 55 6.292 -0.530 8.030 1.00 0.00 O ATOM 861 CB LYS A 55 4.802 2.316 9.303 1.00 0.00 C ATOM 862 CG LYS A 55 4.913 3.863 9.247 1.00 0.00 C ATOM 863 CD LYS A 55 3.555 4.487 8.878 1.00 0.00 C ATOM 864 CE LYS A 55 3.644 6.018 8.942 1.00 0.00 C ATOM 865 NZ LYS A 55 2.284 6.583 9.171 1.00 0.00 N ATOM 0 H LYS A 55 3.740 2.663 7.054 1.00 0.00 H new ATOM 0 HA LYS A 55 6.416 1.976 7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.758 2.025 9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.339 1.939 10.173 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.245 4.245 10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.665 4.153 8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.262 4.173 7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.784 4.131 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.316 6.321 9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.061 6.408 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.275 7.587 8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.591 6.063 8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.036 6.494 10.177 1.00 0.00 H new ATOM 879 N GLN A 56 4.140 -0.378 8.417 1.00 0.00 N ATOM 880 CA GLN A 56 4.023 -1.857 8.577 1.00 0.00 C ATOM 881 C GLN A 56 4.529 -2.566 7.320 1.00 0.00 C ATOM 882 O GLN A 56 4.906 -3.720 7.362 1.00 0.00 O ATOM 883 CB GLN A 56 2.554 -2.228 8.818 1.00 0.00 C ATOM 884 CG GLN A 56 2.408 -3.743 9.029 1.00 0.00 C ATOM 885 CD GLN A 56 3.223 -4.184 10.247 1.00 0.00 C ATOM 886 OE1 GLN A 56 3.991 -5.122 10.172 1.00 0.00 O ATOM 887 NE2 GLN A 56 3.085 -3.543 11.374 1.00 0.00 N ATOM 0 H GLN A 56 3.270 0.142 8.530 1.00 0.00 H new ATOM 0 HA GLN A 56 4.627 -2.172 9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.177 -1.695 9.691 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.949 -1.914 7.967 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.358 -3.999 9.172 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.748 -4.276 8.141 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.440 -2.755 11.437 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.622 -3.829 12.193 1.00 0.00 H new ATOM 896 N PHE A 57 4.531 -1.899 6.197 1.00 0.00 N ATOM 897 CA PHE A 57 5.002 -2.559 4.941 1.00 0.00 C ATOM 898 C PHE A 57 6.510 -2.324 4.756 1.00 0.00 C ATOM 899 O PHE A 57 7.276 -3.261 4.652 1.00 0.00 O ATOM 900 CB PHE A 57 4.213 -1.983 3.745 1.00 0.00 C ATOM 901 CG PHE A 57 3.990 -3.053 2.685 1.00 0.00 C ATOM 902 CD1 PHE A 57 5.025 -3.931 2.324 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.743 -3.163 2.062 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.811 -4.906 1.348 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.528 -4.142 1.084 1.00 0.00 C ATOM 906 CZ PHE A 57 3.563 -5.013 0.726 1.00 0.00 C ATOM 0 H PHE A 57 4.229 -0.930 6.093 1.00 0.00 H new ATOM 0 HA PHE A 57 4.830 -3.634 5.002 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.253 -1.597 4.088 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.758 -1.144 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.990 -3.852 2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.943 -2.491 2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.610 -5.578 1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.563 -4.225 0.606 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.398 -5.767 -0.030 1.00 0.00 H new ATOM 916 N GLU A 58 6.936 -1.088 4.694 1.00 0.00 N ATOM 917 CA GLU A 58 8.393 -0.793 4.494 1.00 0.00 C ATOM 918 C GLU A 58 9.258 -1.761 5.310 1.00 0.00 C ATOM 919 O GLU A 58 10.371 -2.076 4.938 1.00 0.00 O ATOM 920 CB GLU A 58 8.685 0.648 4.930 1.00 0.00 C ATOM 921 CG GLU A 58 10.187 0.952 4.794 1.00 0.00 C ATOM 922 CD GLU A 58 10.945 0.433 6.021 1.00 0.00 C ATOM 923 OE1 GLU A 58 10.646 0.888 7.114 1.00 0.00 O ATOM 924 OE2 GLU A 58 11.811 -0.408 5.847 1.00 0.00 O ATOM 0 H GLU A 58 6.338 -0.266 4.773 1.00 0.00 H new ATOM 0 HA GLU A 58 8.634 -0.917 3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.109 1.344 4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.369 0.794 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.580 0.485 3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.340 2.026 4.690 1.00 0.00 H new ATOM 931 N LYS A 59 8.761 -2.240 6.415 1.00 0.00 N ATOM 932 CA LYS A 59 9.572 -3.177 7.242 1.00 0.00 C ATOM 933 C LYS A 59 9.699 -4.519 6.535 1.00 0.00 C ATOM 934 O LYS A 59 10.749 -5.130 6.536 1.00 0.00 O ATOM 935 CB LYS A 59 8.878 -3.410 8.583 1.00 0.00 C ATOM 936 CG LYS A 59 8.831 -2.105 9.373 1.00 0.00 C ATOM 937 CD LYS A 59 10.265 -1.654 9.753 1.00 0.00 C ATOM 938 CE LYS A 59 10.275 -1.078 11.172 1.00 0.00 C ATOM 939 NZ LYS A 59 10.336 -2.194 12.158 1.00 0.00 N ATOM 0 H LYS A 59 7.833 -2.025 6.781 1.00 0.00 H new ATOM 0 HA LYS A 59 10.559 -2.740 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.867 -3.784 8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.412 -4.171 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.344 -1.331 8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.234 -2.239 10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.950 -2.500 9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.619 -0.905 9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.131 -0.416 11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.380 -0.478 11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.343 -1.805 13.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.506 -2.809 12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.202 -2.748 12.002 1.00 0.00 H new ATOM 953 N ILE A 60 8.634 -4.999 5.952 1.00 0.00 N ATOM 954 CA ILE A 60 8.691 -6.323 5.270 1.00 0.00 C ATOM 955 C ILE A 60 8.934 -6.161 3.766 1.00 0.00 C ATOM 956 O ILE A 60 8.446 -6.939 2.978 1.00 0.00 O ATOM 957 CB ILE A 60 7.368 -7.063 5.483 1.00 0.00 C ATOM 958 CG1 ILE A 60 6.205 -6.135 5.134 1.00 0.00 C ATOM 959 CG2 ILE A 60 7.253 -7.497 6.945 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.896 -6.928 5.147 1.00 0.00 C ATOM 0 H ILE A 60 7.728 -4.532 5.919 1.00 0.00 H new ATOM 0 HA ILE A 60 9.518 -6.890 5.698 1.00 0.00 H new ATOM 0 HB ILE A 60 7.337 -7.943 4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.153 -5.315 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.363 -5.690 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.311 -8.024 7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.082 -8.159 7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.284 -6.618 7.589 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.067 -6.266 4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.951 -7.732 4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.737 -7.351 6.139 1.00 0.00 H new ATOM 972 N ILE A 61 9.675 -5.170 3.340 1.00 0.00 N ATOM 973 CA ILE A 61 9.906 -5.024 1.865 1.00 0.00 C ATOM 974 C ILE A 61 11.047 -5.951 1.421 1.00 0.00 C ATOM 975 O ILE A 61 11.026 -6.494 0.335 1.00 0.00 O ATOM 976 CB ILE A 61 10.261 -3.570 1.524 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.582 -3.435 0.022 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.485 -3.139 2.334 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.444 -4.012 -0.832 1.00 0.00 C ATOM 0 H ILE A 61 10.122 -4.469 3.931 1.00 0.00 H new ATOM 0 HA ILE A 61 8.992 -5.298 1.339 1.00 0.00 H new ATOM 0 HB ILE A 61 9.409 -2.936 1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.735 -2.385 -0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.513 -3.956 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.737 -2.107 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 61 11.263 -3.218 3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.328 -3.785 2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.692 -3.906 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.310 -5.067 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.521 -3.473 -0.620 1.00 0.00 H new ATOM 991 N ASP A 62 12.047 -6.135 2.247 1.00 0.00 N ATOM 992 CA ASP A 62 13.190 -7.026 1.862 1.00 0.00 C ATOM 993 C ASP A 62 12.942 -8.449 2.379 1.00 0.00 C ATOM 994 O ASP A 62 13.708 -9.357 2.120 1.00 0.00 O ATOM 995 CB ASP A 62 14.483 -6.484 2.477 1.00 0.00 C ATOM 996 CG ASP A 62 15.671 -7.302 1.968 1.00 0.00 C ATOM 997 OD1 ASP A 62 15.725 -7.552 0.775 1.00 0.00 O ATOM 998 OD2 ASP A 62 16.508 -7.663 2.780 1.00 0.00 O ATOM 0 H ASP A 62 12.123 -5.708 3.170 1.00 0.00 H new ATOM 0 HA ASP A 62 13.277 -7.049 0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.611 -5.434 2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.431 -6.536 3.565 1.00 0.00 H new ATOM 1003 N THR A 63 11.881 -8.646 3.111 1.00 0.00 N ATOM 1004 CA THR A 63 11.573 -10.003 3.660 1.00 0.00 C ATOM 1005 C THR A 63 10.778 -10.797 2.621 1.00 0.00 C ATOM 1006 O THR A 63 10.616 -11.996 2.730 1.00 0.00 O ATOM 1007 CB THR A 63 10.762 -9.816 4.965 1.00 0.00 C ATOM 1008 OG1 THR A 63 11.585 -10.139 6.075 1.00 0.00 O ATOM 1009 CG2 THR A 63 9.494 -10.687 5.013 1.00 0.00 C ATOM 0 H THR A 63 11.207 -7.921 3.356 1.00 0.00 H new ATOM 0 HA THR A 63 12.485 -10.557 3.881 1.00 0.00 H new ATOM 0 HB THR A 63 10.443 -8.774 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.077 -10.021 6.904 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.968 -10.512 5.951 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.843 -10.428 4.178 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.772 -11.739 4.943 1.00 0.00 H new ATOM 1017 N LEU A 64 10.264 -10.136 1.630 1.00 0.00 N ATOM 1018 CA LEU A 64 9.462 -10.854 0.609 1.00 0.00 C ATOM 1019 C LEU A 64 10.406 -11.649 -0.304 1.00 0.00 C ATOM 1020 O LEU A 64 9.986 -12.516 -1.044 1.00 0.00 O ATOM 1021 CB LEU A 64 8.642 -9.852 -0.231 1.00 0.00 C ATOM 1022 CG LEU A 64 8.277 -8.594 0.581 1.00 0.00 C ATOM 1023 CD1 LEU A 64 7.579 -7.597 -0.341 1.00 0.00 C ATOM 1024 CD2 LEU A 64 7.337 -8.955 1.746 1.00 0.00 C ATOM 0 H LEU A 64 10.363 -9.132 1.482 1.00 0.00 H new ATOM 0 HA LEU A 64 8.772 -11.534 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.213 -9.563 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.731 -10.334 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 64 9.188 -8.158 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.316 -6.702 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.248 -7.327 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.674 -8.049 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.091 -8.054 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.423 -9.398 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.831 -9.669 2.405 1.00 0.00 H new TER 1036 LEU A 64