USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 758 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 43 LYS NZ :NH3+ 154:sc= 0.126! (180deg=0) USER MOD Set 1.2: A 45 THR OG1 : rot -130:sc= -3.2! USER MOD Set 2.1: A 42 MET CE :methyl -112:sc= -0.0203 (180deg=-0.235) USER MOD Set 2.2: A 44 LYS NZ :NH3+ 160:sc= 0.19 (180deg=0) USER MOD Set 2.3: A 59 GLN : amide:sc= -0.405 X(o=-0.24,f=-0.73) USER MOD Set 3.1: A 13 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Set 3.2: A 17 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0358) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0871 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -67:sc= -2.39! USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 24 ASN : amide:sc= -7.58! C(o=-7.6!,f=-7.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.8) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 35 ASN : amide:sc= -0.0187 K(o=-0.019,f=-2.2!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 21:sc= -8.31! USER MOD Single : A 47 TYR OH : rot 130:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.69) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -74:sc= 0.00547 USER MOD Single : A 61 TYR OH : rot -90:sc= -7.59! USER MOD Single : A 63 TYR OH : rot 180:sc= -0.902! USER MOD Single : A 65 SER OG : rot 120:sc= -0.057 USER MOD Single : A 67 LYS NZ :NH3+ -152:sc= -6.1! (180deg=-8.55!) USER MOD Single : A 74 SER OG : rot 180:sc= -1.2! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -160:sc= -0.648 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -3.7! C(o=-3.7!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.211 7.473 -9.039 1.00 0.00 N ATOM 2 CA GLY A 1 -10.218 7.406 -7.550 1.00 0.00 C ATOM 3 C GLY A 1 -9.292 8.484 -6.985 1.00 0.00 C ATOM 4 O GLY A 1 -8.659 9.220 -7.718 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.160 7.728 -9.380 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.527 8.192 -9.351 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.941 6.547 -9.427 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.231 7.549 -7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.891 6.421 -7.218 1.00 0.00 H new ATOM 10 N GLU A 2 -9.205 8.585 -5.688 1.00 0.00 N ATOM 11 CA GLU A 2 -8.317 9.617 -5.078 1.00 0.00 C ATOM 12 C GLU A 2 -6.894 9.073 -4.933 1.00 0.00 C ATOM 13 O GLU A 2 -6.669 7.879 -4.972 1.00 0.00 O ATOM 14 CB GLU A 2 -8.924 9.903 -3.704 1.00 0.00 C ATOM 15 CG GLU A 2 -8.444 11.268 -3.207 1.00 0.00 C ATOM 16 CD GLU A 2 -7.588 11.080 -1.953 1.00 0.00 C ATOM 17 OE1 GLU A 2 -6.766 10.178 -1.949 1.00 0.00 O ATOM 18 OE2 GLU A 2 -7.768 11.843 -1.018 1.00 0.00 O ATOM 0 H GLU A 2 -9.710 7.999 -5.023 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.252 10.517 -5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.012 9.889 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.634 9.125 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.865 11.767 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.298 11.908 -2.985 1.00 0.00 H new ATOM 25 N TRP A 3 -5.932 9.939 -4.765 1.00 0.00 N ATOM 26 CA TRP A 3 -4.526 9.468 -4.620 1.00 0.00 C ATOM 27 C TRP A 3 -3.920 9.996 -3.316 1.00 0.00 C ATOM 28 O TRP A 3 -4.493 10.830 -2.645 1.00 0.00 O ATOM 29 CB TRP A 3 -3.789 10.048 -5.827 1.00 0.00 C ATOM 30 CG TRP A 3 -3.660 11.529 -5.667 1.00 0.00 C ATOM 31 CD1 TRP A 3 -2.825 12.148 -4.801 1.00 0.00 C ATOM 32 CD2 TRP A 3 -4.371 12.586 -6.377 1.00 0.00 C ATOM 33 NE1 TRP A 3 -2.978 13.516 -4.932 1.00 0.00 N ATOM 34 CE2 TRP A 3 -3.921 13.836 -5.891 1.00 0.00 C ATOM 35 CE3 TRP A 3 -5.353 12.581 -7.383 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -4.426 15.039 -6.386 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -5.864 13.789 -7.884 1.00 0.00 C ATOM 38 CH2 TRP A 3 -5.402 15.016 -7.386 1.00 0.00 C ATOM 0 H TRP A 3 -6.059 10.950 -4.722 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.457 8.381 -4.583 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.802 9.594 -5.917 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.331 9.816 -6.744 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.149 11.654 -4.119 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -2.459 14.205 -4.388 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -5.717 11.642 -7.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -4.065 15.981 -5.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.617 13.773 -8.658 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -5.800 15.942 -7.775 1.00 0.00 H new ATOM 49 N GLU A 4 -2.762 9.513 -2.955 1.00 0.00 N ATOM 50 CA GLU A 4 -2.115 9.983 -1.697 1.00 0.00 C ATOM 51 C GLU A 4 -0.815 9.212 -1.454 1.00 0.00 C ATOM 52 O GLU A 4 -0.824 8.030 -1.177 1.00 0.00 O ATOM 53 CB GLU A 4 -3.131 9.687 -0.595 1.00 0.00 C ATOM 54 CG GLU A 4 -2.439 9.732 0.769 1.00 0.00 C ATOM 55 CD GLU A 4 -3.212 10.665 1.704 1.00 0.00 C ATOM 56 OE1 GLU A 4 -3.551 11.755 1.272 1.00 0.00 O ATOM 57 OE2 GLU A 4 -3.452 10.273 2.834 1.00 0.00 O ATOM 0 H GLU A 4 -2.236 8.813 -3.478 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.854 11.041 -1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.940 10.417 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.579 8.706 -0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.390 8.731 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.413 10.081 0.656 1.00 0.00 H new ATOM 64 N ILE A 5 0.301 9.874 -1.565 1.00 0.00 N ATOM 65 CA ILE A 5 1.602 9.193 -1.352 1.00 0.00 C ATOM 66 C ILE A 5 2.046 9.324 0.108 1.00 0.00 C ATOM 67 O ILE A 5 1.388 9.952 0.914 1.00 0.00 O ATOM 68 CB ILE A 5 2.562 9.938 -2.272 1.00 0.00 C ATOM 69 CG1 ILE A 5 2.522 11.435 -1.951 1.00 0.00 C ATOM 70 CG2 ILE A 5 2.152 9.720 -3.728 1.00 0.00 C ATOM 71 CD1 ILE A 5 3.933 11.923 -1.617 1.00 0.00 C ATOM 0 H ILE A 5 0.366 10.865 -1.796 1.00 0.00 H new ATOM 0 HA ILE A 5 1.558 8.125 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 5 3.573 9.560 -2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.126 11.990 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.853 11.620 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.840 10.254 -4.384 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.183 8.655 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.140 10.095 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.905 12.988 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.312 11.377 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.589 11.752 -2.471 1.00 0.00 H new ATOM 83 N ILE A 6 3.163 8.742 0.451 1.00 0.00 N ATOM 84 CA ILE A 6 3.659 8.839 1.858 1.00 0.00 C ATOM 85 C ILE A 6 4.999 9.580 1.887 1.00 0.00 C ATOM 86 O ILE A 6 5.388 10.207 0.921 1.00 0.00 O ATOM 87 CB ILE A 6 3.826 7.396 2.362 1.00 0.00 C ATOM 88 CG1 ILE A 6 4.092 6.437 1.187 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.557 6.968 3.103 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.777 6.104 0.472 1.00 0.00 C ATOM 0 H ILE A 6 3.755 8.203 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 6 2.965 9.392 2.491 1.00 0.00 H new ATOM 0 HB ILE A 6 4.679 7.356 3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.791 6.893 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.558 5.522 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.672 5.945 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.389 7.633 3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.705 7.021 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.976 5.425 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.092 5.629 1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.328 7.021 0.091 1.00 0.00 H new ATOM 102 N ASP A 7 5.711 9.526 2.983 1.00 0.00 N ATOM 103 CA ASP A 7 7.017 10.244 3.046 1.00 0.00 C ATOM 104 C ASP A 7 8.102 9.362 3.662 1.00 0.00 C ATOM 105 O ASP A 7 8.916 9.812 4.445 1.00 0.00 O ATOM 106 CB ASP A 7 6.757 11.472 3.919 1.00 0.00 C ATOM 107 CG ASP A 7 6.432 12.673 3.029 1.00 0.00 C ATOM 108 OD1 ASP A 7 6.490 12.522 1.820 1.00 0.00 O ATOM 109 OD2 ASP A 7 6.131 13.723 3.572 1.00 0.00 O ATOM 0 H ASP A 7 5.447 9.021 3.829 1.00 0.00 H new ATOM 0 HA ASP A 7 7.374 10.516 2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.930 11.277 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.632 11.687 4.532 1.00 0.00 H new ATOM 114 N ILE A 8 8.127 8.115 3.302 1.00 0.00 N ATOM 115 CA ILE A 8 9.164 7.196 3.848 1.00 0.00 C ATOM 116 C ILE A 8 9.102 7.174 5.366 1.00 0.00 C ATOM 117 O ILE A 8 10.077 7.403 6.054 1.00 0.00 O ATOM 118 CB ILE A 8 10.490 7.767 3.382 1.00 0.00 C ATOM 119 CG1 ILE A 8 10.388 8.100 1.893 1.00 0.00 C ATOM 120 CG2 ILE A 8 11.576 6.721 3.617 1.00 0.00 C ATOM 121 CD1 ILE A 8 11.788 8.296 1.309 1.00 0.00 C ATOM 0 H ILE A 8 7.471 7.687 2.649 1.00 0.00 H new ATOM 0 HA ILE A 8 9.021 6.171 3.507 1.00 0.00 H new ATOM 0 HB ILE A 8 10.736 8.675 3.933 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.873 7.297 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.796 9.004 1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 8 12.538 7.114 3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.627 6.481 4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 8 11.340 5.819 3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.710 8.533 0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.287 9.114 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 8 12.366 7.380 1.435 1.00 0.00 H new ATOM 133 N GLY A 9 7.953 6.898 5.880 1.00 0.00 N ATOM 134 CA GLY A 9 7.787 6.852 7.362 1.00 0.00 C ATOM 135 C GLY A 9 6.634 5.918 7.761 1.00 0.00 C ATOM 136 O GLY A 9 6.842 4.929 8.440 1.00 0.00 O ATOM 0 H GLY A 9 7.109 6.699 5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.713 6.510 7.824 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.594 7.856 7.741 1.00 0.00 H new ATOM 140 N PRO A 10 5.448 6.277 7.353 1.00 0.00 N ATOM 141 CA PRO A 10 4.251 5.479 7.709 1.00 0.00 C ATOM 142 C PRO A 10 4.160 4.197 6.878 1.00 0.00 C ATOM 143 O PRO A 10 4.446 3.118 7.357 1.00 0.00 O ATOM 144 CB PRO A 10 3.090 6.420 7.403 1.00 0.00 C ATOM 145 CG PRO A 10 3.612 7.378 6.377 1.00 0.00 C ATOM 146 CD PRO A 10 5.112 7.439 6.525 1.00 0.00 C ATOM 0 HA PRO A 10 4.265 5.144 8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.228 5.870 7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.763 6.945 8.300 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.340 7.049 5.374 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.174 8.366 6.519 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.608 7.392 5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.426 8.369 7.000 1.00 0.00 H new ATOM 154 N PHE A 11 3.749 4.297 5.645 1.00 0.00 N ATOM 155 CA PHE A 11 3.628 3.068 4.811 1.00 0.00 C ATOM 156 C PHE A 11 4.905 2.228 4.907 1.00 0.00 C ATOM 157 O PHE A 11 4.872 1.022 4.767 1.00 0.00 O ATOM 158 CB PHE A 11 3.378 3.570 3.390 1.00 0.00 C ATOM 159 CG PHE A 11 1.894 3.809 3.219 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.165 4.424 4.246 1.00 0.00 C ATOM 161 CD2 PHE A 11 1.246 3.412 2.045 1.00 0.00 C ATOM 162 CE1 PHE A 11 -0.210 4.641 4.098 1.00 0.00 C ATOM 163 CE2 PHE A 11 -0.131 3.630 1.897 1.00 0.00 C ATOM 164 CZ PHE A 11 -0.858 4.244 2.924 1.00 0.00 C ATOM 0 H PHE A 11 3.493 5.169 5.181 1.00 0.00 H new ATOM 0 HA PHE A 11 2.819 2.417 5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.933 4.491 3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.730 2.839 2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.665 4.731 5.153 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.806 2.938 1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.770 5.115 4.890 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.631 3.324 0.990 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.919 4.411 2.810 1.00 0.00 H new ATOM 174 N THR A 12 6.025 2.842 5.181 1.00 0.00 N ATOM 175 CA THR A 12 7.277 2.067 5.325 1.00 0.00 C ATOM 176 C THR A 12 7.073 1.031 6.420 1.00 0.00 C ATOM 177 O THR A 12 7.198 -0.162 6.209 1.00 0.00 O ATOM 178 CB THR A 12 8.315 3.096 5.763 1.00 0.00 C ATOM 179 OG1 THR A 12 8.054 3.488 7.100 1.00 0.00 O ATOM 180 CG2 THR A 12 8.253 4.318 4.847 1.00 0.00 C ATOM 0 H THR A 12 6.120 3.849 5.310 1.00 0.00 H new ATOM 0 HA THR A 12 7.577 1.549 4.414 1.00 0.00 H new ATOM 0 HB THR A 12 9.310 2.655 5.701 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.206 3.979 7.138 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.996 5.049 5.165 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.459 4.014 3.821 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.260 4.764 4.901 1.00 0.00 H new ATOM 188 N GLN A 13 6.736 1.493 7.592 1.00 0.00 N ATOM 189 CA GLN A 13 6.495 0.550 8.719 1.00 0.00 C ATOM 190 C GLN A 13 5.305 -0.344 8.380 1.00 0.00 C ATOM 191 O GLN A 13 5.175 -1.449 8.869 1.00 0.00 O ATOM 192 CB GLN A 13 6.187 1.435 9.927 1.00 0.00 C ATOM 193 CG GLN A 13 7.392 1.450 10.870 1.00 0.00 C ATOM 194 CD GLN A 13 7.344 0.224 11.783 1.00 0.00 C ATOM 195 OE1 GLN A 13 6.482 0.118 12.632 1.00 0.00 O ATOM 196 NE2 GLN A 13 8.239 -0.715 11.641 1.00 0.00 N ATOM 0 H GLN A 13 6.617 2.481 7.818 1.00 0.00 H new ATOM 0 HA GLN A 13 7.347 -0.101 8.915 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.956 2.448 9.599 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.307 1.061 10.450 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.317 1.451 10.294 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.388 2.362 11.468 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.963 -0.626 10.928 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.215 -1.538 12.243 1.00 0.00 H new ATOM 205 N ASN A 14 4.446 0.132 7.530 1.00 0.00 N ATOM 206 CA ASN A 14 3.261 -0.675 7.124 1.00 0.00 C ATOM 207 C ASN A 14 3.711 -1.813 6.222 1.00 0.00 C ATOM 208 O ASN A 14 3.470 -2.973 6.495 1.00 0.00 O ATOM 209 CB ASN A 14 2.356 0.295 6.363 1.00 0.00 C ATOM 210 CG ASN A 14 0.894 -0.114 6.556 1.00 0.00 C ATOM 211 OD1 ASN A 14 0.343 0.045 7.628 1.00 0.00 O ATOM 212 ND2 ASN A 14 0.239 -0.640 5.558 1.00 0.00 N ATOM 0 H ASN A 14 4.511 1.052 7.094 1.00 0.00 H new ATOM 0 HA ASN A 14 2.742 -1.119 7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.511 1.312 6.723 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.609 0.290 5.303 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.735 -0.918 5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.701 -0.773 4.658 1.00 0.00 H new ATOM 219 N LEU A 15 4.371 -1.485 5.158 1.00 0.00 N ATOM 220 CA LEU A 15 4.861 -2.538 4.230 1.00 0.00 C ATOM 221 C LEU A 15 5.443 -3.699 5.032 1.00 0.00 C ATOM 222 O LEU A 15 4.858 -4.757 5.111 1.00 0.00 O ATOM 223 CB LEU A 15 5.950 -1.857 3.398 1.00 0.00 C ATOM 224 CG LEU A 15 6.517 -2.843 2.369 1.00 0.00 C ATOM 225 CD1 LEU A 15 7.445 -3.831 3.074 1.00 0.00 C ATOM 226 CD2 LEU A 15 5.376 -3.613 1.696 1.00 0.00 C ATOM 0 H LEU A 15 4.596 -0.528 4.885 1.00 0.00 H new ATOM 0 HA LEU A 15 4.069 -2.945 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.539 -0.985 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.747 -1.500 4.050 1.00 0.00 H new ATOM 0 HG LEU A 15 7.071 -2.289 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.850 -4.533 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.263 -3.288 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.885 -4.378 3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.788 -4.311 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.815 -4.165 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.712 -2.912 1.191 1.00 0.00 H new ATOM 238 N GLY A 16 6.585 -3.504 5.636 1.00 0.00 N ATOM 239 CA GLY A 16 7.201 -4.601 6.440 1.00 0.00 C ATOM 240 C GLY A 16 6.116 -5.327 7.238 1.00 0.00 C ATOM 241 O GLY A 16 6.148 -6.532 7.395 1.00 0.00 O ATOM 0 H GLY A 16 7.117 -2.634 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.714 -5.303 5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.951 -4.192 7.117 1.00 0.00 H new ATOM 245 N LYS A 17 5.154 -4.603 7.739 1.00 0.00 N ATOM 246 CA LYS A 17 4.066 -5.250 8.525 1.00 0.00 C ATOM 247 C LYS A 17 3.073 -5.951 7.600 1.00 0.00 C ATOM 248 O LYS A 17 3.142 -7.143 7.378 1.00 0.00 O ATOM 249 CB LYS A 17 3.385 -4.104 9.273 1.00 0.00 C ATOM 250 CG LYS A 17 3.723 -4.196 10.763 1.00 0.00 C ATOM 251 CD LYS A 17 3.706 -2.796 11.380 1.00 0.00 C ATOM 252 CE LYS A 17 3.890 -2.904 12.895 1.00 0.00 C ATOM 253 NZ LYS A 17 5.359 -3.053 13.093 1.00 0.00 N ATOM 0 H LYS A 17 5.074 -3.591 7.638 1.00 0.00 H new ATOM 0 HA LYS A 17 4.450 -6.013 9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.717 -3.146 8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.305 -4.153 9.130 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.002 -4.837 11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.704 -4.651 10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.501 -2.187 10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.764 -2.298 11.152 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.511 -2.017 13.403 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.348 -3.759 13.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.540 -3.786 13.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.804 -3.329 12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.759 -2.149 13.414 1.00 0.00 H new ATOM 267 N PHE A 18 2.143 -5.216 7.077 1.00 0.00 N ATOM 268 CA PHE A 18 1.119 -5.823 6.176 1.00 0.00 C ATOM 269 C PHE A 18 1.782 -6.758 5.160 1.00 0.00 C ATOM 270 O PHE A 18 1.186 -7.715 4.705 1.00 0.00 O ATOM 271 CB PHE A 18 0.407 -4.624 5.517 1.00 0.00 C ATOM 272 CG PHE A 18 0.780 -4.493 4.056 1.00 0.00 C ATOM 273 CD1 PHE A 18 0.024 -5.151 3.080 1.00 0.00 C ATOM 274 CD2 PHE A 18 1.875 -3.709 3.681 1.00 0.00 C ATOM 275 CE1 PHE A 18 0.363 -5.025 1.729 1.00 0.00 C ATOM 276 CE2 PHE A 18 2.216 -3.582 2.329 1.00 0.00 C ATOM 277 CZ PHE A 18 1.459 -4.241 1.352 1.00 0.00 C ATOM 0 H PHE A 18 2.041 -4.213 7.232 1.00 0.00 H new ATOM 0 HA PHE A 18 0.402 -6.449 6.707 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.672 -4.745 5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.671 -3.708 6.045 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.822 -5.757 3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.458 -3.201 4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.221 -5.533 0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.062 -2.976 2.040 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.721 -4.144 0.309 1.00 0.00 H new ATOM 287 N ALA A 19 3.006 -6.501 4.814 1.00 0.00 N ATOM 288 CA ALA A 19 3.699 -7.396 3.840 1.00 0.00 C ATOM 289 C ALA A 19 3.836 -8.793 4.443 1.00 0.00 C ATOM 290 O ALA A 19 3.160 -9.717 4.046 1.00 0.00 O ATOM 291 CB ALA A 19 5.078 -6.780 3.614 1.00 0.00 C ATOM 0 H ALA A 19 3.559 -5.716 5.158 1.00 0.00 H new ATOM 0 HA ALA A 19 3.148 -7.488 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.638 -7.392 2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.965 -5.773 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.616 -6.735 4.561 1.00 0.00 H new ATOM 297 N VAL A 20 4.702 -8.952 5.409 1.00 0.00 N ATOM 298 CA VAL A 20 4.873 -10.293 6.039 1.00 0.00 C ATOM 299 C VAL A 20 3.509 -10.959 6.251 1.00 0.00 C ATOM 300 O VAL A 20 3.401 -12.167 6.293 1.00 0.00 O ATOM 301 CB VAL A 20 5.561 -10.022 7.378 1.00 0.00 C ATOM 302 CG1 VAL A 20 4.671 -9.132 8.246 1.00 0.00 C ATOM 303 CG2 VAL A 20 5.813 -11.349 8.098 1.00 0.00 C ATOM 0 H VAL A 20 5.296 -8.214 5.787 1.00 0.00 H new ATOM 0 HA VAL A 20 5.458 -10.969 5.416 1.00 0.00 H new ATOM 0 HB VAL A 20 6.510 -9.516 7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.165 -8.942 9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.493 -8.186 7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.719 -9.633 8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.303 -11.158 9.053 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.863 -11.854 8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.452 -11.981 7.482 1.00 0.00 H new ATOM 313 N ASP A 21 2.463 -10.184 6.378 1.00 0.00 N ATOM 314 CA ASP A 21 1.115 -10.792 6.576 1.00 0.00 C ATOM 315 C ASP A 21 0.451 -11.047 5.226 1.00 0.00 C ATOM 316 O ASP A 21 0.309 -12.175 4.808 1.00 0.00 O ATOM 317 CB ASP A 21 0.324 -9.765 7.388 1.00 0.00 C ATOM 318 CG ASP A 21 -0.181 -10.413 8.679 1.00 0.00 C ATOM 319 OD1 ASP A 21 0.327 -11.466 9.027 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.066 -9.844 9.296 1.00 0.00 O ATOM 0 H ASP A 21 2.484 -9.165 6.353 1.00 0.00 H new ATOM 0 HA ASP A 21 1.166 -11.753 7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.954 -8.907 7.622 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.517 -9.393 6.803 1.00 0.00 H new ATOM 325 N GLU A 22 0.042 -10.023 4.531 1.00 0.00 N ATOM 326 CA GLU A 22 -0.601 -10.264 3.211 1.00 0.00 C ATOM 327 C GLU A 22 0.381 -10.989 2.296 1.00 0.00 C ATOM 328 O GLU A 22 0.017 -11.880 1.564 1.00 0.00 O ATOM 329 CB GLU A 22 -0.973 -8.881 2.665 1.00 0.00 C ATOM 330 CG GLU A 22 -2.098 -8.287 3.516 1.00 0.00 C ATOM 331 CD GLU A 22 -3.409 -8.326 2.727 1.00 0.00 C ATOM 332 OE1 GLU A 22 -3.591 -9.262 1.966 1.00 0.00 O ATOM 333 OE2 GLU A 22 -4.206 -7.420 2.897 1.00 0.00 O ATOM 0 H GLU A 22 0.123 -9.046 4.813 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.489 -10.892 3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.103 -8.225 2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.291 -8.961 1.626 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.203 -8.850 4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.857 -7.260 3.791 1.00 0.00 H new ATOM 340 N GLU A 23 1.627 -10.637 2.361 1.00 0.00 N ATOM 341 CA GLU A 23 2.642 -11.329 1.514 1.00 0.00 C ATOM 342 C GLU A 23 2.719 -12.795 1.920 1.00 0.00 C ATOM 343 O GLU A 23 2.597 -13.682 1.102 1.00 0.00 O ATOM 344 CB GLU A 23 3.964 -10.613 1.795 1.00 0.00 C ATOM 345 CG GLU A 23 4.957 -10.910 0.668 1.00 0.00 C ATOM 346 CD GLU A 23 6.251 -11.477 1.257 1.00 0.00 C ATOM 347 OE1 GLU A 23 6.249 -11.819 2.428 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.224 -11.559 0.525 1.00 0.00 O ATOM 0 H GLU A 23 1.993 -9.900 2.963 1.00 0.00 H new ATOM 0 HA GLU A 23 2.397 -11.297 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.798 -9.539 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.373 -10.943 2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.523 -11.622 -0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.169 -9.999 0.108 1.00 0.00 H new ATOM 355 N ASN A 24 2.892 -13.064 3.180 1.00 0.00 N ATOM 356 CA ASN A 24 2.937 -14.484 3.614 1.00 0.00 C ATOM 357 C ASN A 24 1.553 -15.089 3.405 1.00 0.00 C ATOM 358 O ASN A 24 1.408 -16.179 2.888 1.00 0.00 O ATOM 359 CB ASN A 24 3.309 -14.444 5.097 1.00 0.00 C ATOM 360 CG ASN A 24 3.649 -15.854 5.582 1.00 0.00 C ATOM 361 OD1 ASN A 24 2.850 -16.760 5.461 1.00 0.00 O ATOM 362 ND2 ASN A 24 4.813 -16.079 6.130 1.00 0.00 N ATOM 0 H ASN A 24 3.003 -12.372 3.921 1.00 0.00 H new ATOM 0 HA ASN A 24 3.653 -15.088 3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.161 -13.781 5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.481 -14.039 5.679 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.051 -17.016 6.456 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.484 -15.318 6.232 1.00 0.00 H new ATOM 369 N LYS A 25 0.529 -14.375 3.786 1.00 0.00 N ATOM 370 CA LYS A 25 -0.851 -14.893 3.588 1.00 0.00 C ATOM 371 C LYS A 25 -1.107 -15.152 2.102 1.00 0.00 C ATOM 372 O LYS A 25 -1.676 -16.156 1.723 1.00 0.00 O ATOM 373 CB LYS A 25 -1.774 -13.791 4.111 1.00 0.00 C ATOM 374 CG LYS A 25 -3.204 -14.326 4.209 1.00 0.00 C ATOM 375 CD LYS A 25 -3.701 -14.194 5.649 1.00 0.00 C ATOM 376 CE LYS A 25 -4.809 -13.141 5.713 1.00 0.00 C ATOM 377 NZ LYS A 25 -4.459 -12.284 6.880 1.00 0.00 N ATOM 0 H LYS A 25 0.590 -13.456 4.225 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.016 -15.836 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.434 -13.451 5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.742 -12.929 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.858 -13.772 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.235 -15.370 3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.076 -15.154 6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.877 -13.911 6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.852 -12.557 4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.787 -13.604 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.174 -11.537 6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.432 -12.865 7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.526 -11.851 6.725 1.00 0.00 H new ATOM 391 N ILE A 26 -0.689 -14.251 1.261 1.00 0.00 N ATOM 392 CA ILE A 26 -0.908 -14.447 -0.207 1.00 0.00 C ATOM 393 C ILE A 26 -0.085 -15.635 -0.709 1.00 0.00 C ATOM 394 O ILE A 26 -0.377 -16.221 -1.732 1.00 0.00 O ATOM 395 CB ILE A 26 -0.466 -13.136 -0.886 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.202 -12.984 -2.221 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.044 -13.139 -1.149 1.00 0.00 C ATOM 398 CD1 ILE A 26 -0.807 -14.129 -3.157 1.00 0.00 C ATOM 0 H ILE A 26 -0.207 -13.390 1.519 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.951 -14.667 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.706 -12.306 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.280 -12.990 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.955 -12.026 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.332 -12.203 -1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.578 -13.241 -0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.298 -13.974 -1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.331 -14.020 -4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.269 -14.102 -3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.077 -15.081 -2.701 1.00 0.00 H new ATOM 410 N GLY A 27 0.940 -15.993 0.008 1.00 0.00 N ATOM 411 CA GLY A 27 1.784 -17.144 -0.422 1.00 0.00 C ATOM 412 C GLY A 27 3.214 -16.663 -0.677 1.00 0.00 C ATOM 413 O GLY A 27 3.889 -17.135 -1.569 1.00 0.00 O ATOM 0 H GLY A 27 1.232 -15.540 0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.781 -17.917 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.373 -17.592 -1.327 1.00 0.00 H new ATOM 417 N GLN A 28 3.680 -15.729 0.105 1.00 0.00 N ATOM 418 CA GLN A 28 5.067 -15.219 -0.084 1.00 0.00 C ATOM 419 C GLN A 28 5.768 -15.123 1.273 1.00 0.00 C ATOM 420 O GLN A 28 5.999 -14.051 1.793 1.00 0.00 O ATOM 421 CB GLN A 28 4.901 -13.830 -0.705 1.00 0.00 C ATOM 422 CG GLN A 28 5.168 -13.910 -2.209 1.00 0.00 C ATOM 423 CD GLN A 28 6.615 -14.341 -2.450 1.00 0.00 C ATOM 424 OE1 GLN A 28 7.505 -13.515 -2.514 1.00 0.00 O ATOM 425 NE2 GLN A 28 6.892 -15.609 -2.589 1.00 0.00 N ATOM 0 H GLN A 28 3.159 -15.296 0.868 1.00 0.00 H new ATOM 0 HA GLN A 28 5.671 -15.871 -0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.893 -13.456 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.591 -13.127 -0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.484 -14.621 -2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.984 -12.941 -2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.146 -16.303 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.854 -15.906 -2.751 1.00 0.00 H new ATOM 434 N TYR A 29 6.100 -16.245 1.848 1.00 0.00 N ATOM 435 CA TYR A 29 6.781 -16.235 3.172 1.00 0.00 C ATOM 436 C TYR A 29 8.284 -16.457 2.988 1.00 0.00 C ATOM 437 O TYR A 29 8.955 -16.983 3.851 1.00 0.00 O ATOM 438 CB TYR A 29 6.150 -17.396 3.946 1.00 0.00 C ATOM 439 CG TYR A 29 6.915 -17.629 5.228 1.00 0.00 C ATOM 440 CD1 TYR A 29 7.453 -16.543 5.928 1.00 0.00 C ATOM 441 CD2 TYR A 29 7.085 -18.931 5.713 1.00 0.00 C ATOM 442 CE1 TYR A 29 8.161 -16.760 7.116 1.00 0.00 C ATOM 443 CE2 TYR A 29 7.795 -19.147 6.901 1.00 0.00 C ATOM 444 CZ TYR A 29 8.333 -18.061 7.602 1.00 0.00 C ATOM 445 OH TYR A 29 9.032 -18.274 8.773 1.00 0.00 O ATOM 0 H TYR A 29 5.928 -17.171 1.457 1.00 0.00 H new ATOM 0 HA TYR A 29 6.664 -15.287 3.697 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.107 -17.172 4.169 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.159 -18.300 3.336 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.322 -15.539 5.552 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.669 -19.768 5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.575 -15.923 7.658 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.927 -20.151 7.276 1.00 0.00 H new ATOM 0 HH TYR A 29 9.057 -19.234 8.969 1.00 0.00 H new ATOM 455 N GLY A 30 8.810 -16.055 1.861 1.00 0.00 N ATOM 456 CA GLY A 30 10.271 -16.233 1.604 1.00 0.00 C ATOM 457 C GLY A 30 11.052 -15.966 2.893 1.00 0.00 C ATOM 458 O GLY A 30 12.003 -16.652 3.207 1.00 0.00 O ATOM 0 H GLY A 30 8.290 -15.610 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.468 -17.245 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.599 -15.551 0.820 1.00 0.00 H new ATOM 462 N ARG A 31 10.647 -14.979 3.647 1.00 0.00 N ATOM 463 CA ARG A 31 11.356 -14.673 4.924 1.00 0.00 C ATOM 464 C ARG A 31 10.867 -13.340 5.487 1.00 0.00 C ATOM 465 O ARG A 31 9.970 -13.290 6.305 1.00 0.00 O ATOM 466 CB ARG A 31 12.839 -14.585 4.557 1.00 0.00 C ATOM 467 CG ARG A 31 13.569 -15.827 5.072 1.00 0.00 C ATOM 468 CD ARG A 31 14.133 -15.547 6.466 1.00 0.00 C ATOM 469 NE ARG A 31 15.015 -16.708 6.765 1.00 0.00 N ATOM 470 CZ ARG A 31 15.891 -16.630 7.729 1.00 0.00 C ATOM 471 NH1 ARG A 31 15.493 -16.447 8.958 1.00 0.00 N ATOM 472 NH2 ARG A 31 17.165 -16.736 7.465 1.00 0.00 N ATOM 0 H ARG A 31 9.856 -14.371 3.434 1.00 0.00 H new ATOM 0 HA ARG A 31 11.174 -15.432 5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.952 -14.506 3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 31 13.279 -13.687 4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 31 12.885 -16.675 5.109 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.375 -16.097 4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 31 14.692 -14.611 6.485 1.00 0.00 H new ATOM 0 HD3 ARG A 31 13.336 -15.457 7.204 1.00 0.00 H new ATOM 0 HE ARG A 31 14.935 -17.564 6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.498 -16.365 9.165 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.177 -16.386 9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 31 17.477 -16.880 6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 31 17.849 -16.675 8.219 1.00 0.00 H new ATOM 486 N LEU A 32 11.449 -12.258 5.053 1.00 0.00 N ATOM 487 CA LEU A 32 11.017 -10.926 5.560 1.00 0.00 C ATOM 488 C LEU A 32 10.537 -10.055 4.401 1.00 0.00 C ATOM 489 O LEU A 32 10.501 -10.481 3.263 1.00 0.00 O ATOM 490 CB LEU A 32 12.262 -10.316 6.202 1.00 0.00 C ATOM 491 CG LEU A 32 12.984 -11.375 7.033 1.00 0.00 C ATOM 492 CD1 LEU A 32 14.230 -11.847 6.281 1.00 0.00 C ATOM 493 CD2 LEU A 32 13.396 -10.772 8.377 1.00 0.00 C ATOM 0 H LEU A 32 12.205 -12.238 4.369 1.00 0.00 H new ATOM 0 HA LEU A 32 10.192 -11.004 6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.928 -9.929 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.981 -9.473 6.834 1.00 0.00 H new ATOM 0 HG LEU A 32 12.320 -12.222 7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.747 -12.603 6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.936 -12.274 5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.896 -11.000 6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.911 -11.526 8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.062 -9.926 8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.508 -10.433 8.911 1.00 0.00 H new ATOM 505 N THR A 33 10.168 -8.840 4.681 1.00 0.00 N ATOM 506 CA THR A 33 9.692 -7.939 3.598 1.00 0.00 C ATOM 507 C THR A 33 9.927 -6.481 3.997 1.00 0.00 C ATOM 508 O THR A 33 9.046 -5.651 3.906 1.00 0.00 O ATOM 509 CB THR A 33 8.195 -8.232 3.465 1.00 0.00 C ATOM 510 OG1 THR A 33 7.850 -9.340 4.290 1.00 0.00 O ATOM 511 CG2 THR A 33 7.861 -8.558 2.007 1.00 0.00 C ATOM 0 H THR A 33 10.175 -8.430 5.615 1.00 0.00 H new ATOM 0 HA THR A 33 10.218 -8.102 2.657 1.00 0.00 H new ATOM 0 HB THR A 33 7.628 -7.355 3.779 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.891 -9.525 4.205 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.795 -8.766 1.916 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.120 -7.708 1.376 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.430 -9.432 1.690 1.00 0.00 H new ATOM 519 N PHE A 34 11.113 -6.171 4.441 1.00 0.00 N ATOM 520 CA PHE A 34 11.420 -4.769 4.853 1.00 0.00 C ATOM 521 C PHE A 34 12.869 -4.665 5.339 1.00 0.00 C ATOM 522 O PHE A 34 13.193 -5.068 6.439 1.00 0.00 O ATOM 523 CB PHE A 34 10.455 -4.472 6.001 1.00 0.00 C ATOM 524 CG PHE A 34 10.227 -2.983 6.098 1.00 0.00 C ATOM 525 CD1 PHE A 34 9.893 -2.249 4.953 1.00 0.00 C ATOM 526 CD2 PHE A 34 10.350 -2.335 7.333 1.00 0.00 C ATOM 527 CE1 PHE A 34 9.681 -0.869 5.044 1.00 0.00 C ATOM 528 CE2 PHE A 34 10.138 -0.954 7.423 1.00 0.00 C ATOM 529 CZ PHE A 34 9.804 -0.221 6.279 1.00 0.00 C ATOM 0 H PHE A 34 11.887 -6.829 4.537 1.00 0.00 H new ATOM 0 HA PHE A 34 11.306 -4.065 4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.508 -4.985 5.835 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.862 -4.850 6.939 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.799 -2.748 4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.608 -2.900 8.216 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.422 -0.303 4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.232 -0.454 8.376 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.641 0.844 6.349 1.00 0.00 H new ATOM 539 N ASN A 35 13.742 -4.128 4.533 1.00 0.00 N ATOM 540 CA ASN A 35 15.166 -4.003 4.960 1.00 0.00 C ATOM 541 C ASN A 35 15.849 -2.845 4.225 1.00 0.00 C ATOM 542 O ASN A 35 16.513 -2.023 4.825 1.00 0.00 O ATOM 543 CB ASN A 35 15.811 -5.335 4.578 1.00 0.00 C ATOM 544 CG ASN A 35 17.158 -5.472 5.290 1.00 0.00 C ATOM 545 OD1 ASN A 35 17.530 -4.627 6.080 1.00 0.00 O ATOM 546 ND2 ASN A 35 17.911 -6.511 5.043 1.00 0.00 N ATOM 0 H ASN A 35 13.534 -3.771 3.600 1.00 0.00 H new ATOM 0 HA ASN A 35 15.257 -3.794 6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.156 -6.161 4.854 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.951 -5.387 3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 35 18.810 -6.612 5.513 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.599 -7.221 4.380 1.00 0.00 H new ATOM 553 N LYS A 36 15.703 -2.781 2.930 1.00 0.00 N ATOM 554 CA LYS A 36 16.357 -1.683 2.159 1.00 0.00 C ATOM 555 C LYS A 36 15.698 -0.329 2.457 1.00 0.00 C ATOM 556 O LYS A 36 15.987 0.294 3.460 1.00 0.00 O ATOM 557 CB LYS A 36 16.182 -2.076 0.694 1.00 0.00 C ATOM 558 CG LYS A 36 17.374 -2.928 0.258 1.00 0.00 C ATOM 559 CD LYS A 36 18.660 -2.107 0.375 1.00 0.00 C ATOM 560 CE LYS A 36 19.513 -2.655 1.522 1.00 0.00 C ATOM 561 NZ LYS A 36 20.919 -2.355 1.133 1.00 0.00 N ATOM 0 H LYS A 36 15.160 -3.440 2.372 1.00 0.00 H new ATOM 0 HA LYS A 36 17.407 -1.564 2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.254 -2.633 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 36 16.110 -1.184 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.443 -3.821 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.237 -3.264 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.218 -2.150 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.420 -1.059 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.255 -2.179 2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.359 -3.726 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 21.565 -2.701 1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 21.138 -2.827 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 21.037 -1.328 1.024 1.00 0.00 H new ATOM 575 N VAL A 37 14.833 0.153 1.598 1.00 0.00 N ATOM 576 CA VAL A 37 14.205 1.483 1.865 1.00 0.00 C ATOM 577 C VAL A 37 12.878 1.646 1.108 1.00 0.00 C ATOM 578 O VAL A 37 12.516 0.836 0.279 1.00 0.00 O ATOM 579 CB VAL A 37 15.236 2.491 1.360 1.00 0.00 C ATOM 580 CG1 VAL A 37 14.584 3.866 1.197 1.00 0.00 C ATOM 581 CG2 VAL A 37 16.384 2.589 2.365 1.00 0.00 C ATOM 0 H VAL A 37 14.539 -0.309 0.737 1.00 0.00 H new ATOM 0 HA VAL A 37 13.962 1.613 2.919 1.00 0.00 H new ATOM 0 HB VAL A 37 15.619 2.160 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.325 4.580 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.766 3.798 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.196 4.201 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.121 3.308 2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.996 2.917 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.854 1.612 2.476 1.00 0.00 H new ATOM 591 N ILE A 38 12.161 2.704 1.395 1.00 0.00 N ATOM 592 CA ILE A 38 10.858 2.957 0.707 1.00 0.00 C ATOM 593 C ILE A 38 10.767 4.427 0.292 1.00 0.00 C ATOM 594 O ILE A 38 10.343 5.273 1.052 1.00 0.00 O ATOM 595 CB ILE A 38 9.775 2.610 1.742 1.00 0.00 C ATOM 596 CG1 ILE A 38 8.454 3.283 1.359 1.00 0.00 C ATOM 597 CG2 ILE A 38 10.186 3.093 3.136 1.00 0.00 C ATOM 598 CD1 ILE A 38 7.317 2.272 1.493 1.00 0.00 C ATOM 0 H ILE A 38 12.425 3.409 2.083 1.00 0.00 H new ATOM 0 HA ILE A 38 10.745 2.362 -0.199 1.00 0.00 H new ATOM 0 HB ILE A 38 9.654 1.527 1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.270 4.143 2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.506 3.657 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.406 2.838 3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.119 2.611 3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.325 4.174 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.374 2.747 1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.502 1.427 0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.262 1.920 2.523 1.00 0.00 H new ATOM 610 N ARG A 39 11.166 4.735 -0.913 1.00 0.00 N ATOM 611 CA ARG A 39 11.105 6.151 -1.378 1.00 0.00 C ATOM 612 C ARG A 39 9.940 6.349 -2.357 1.00 0.00 C ATOM 613 O ARG A 39 9.119 7.222 -2.163 1.00 0.00 O ATOM 614 CB ARG A 39 12.446 6.409 -2.067 1.00 0.00 C ATOM 615 CG ARG A 39 13.183 7.541 -1.348 1.00 0.00 C ATOM 616 CD ARG A 39 14.267 8.109 -2.264 1.00 0.00 C ATOM 617 NE ARG A 39 14.531 9.480 -1.744 1.00 0.00 N ATOM 618 CZ ARG A 39 15.755 9.859 -1.494 1.00 0.00 C ATOM 619 NH1 ARG A 39 16.551 10.184 -2.476 1.00 0.00 N ATOM 620 NH2 ARG A 39 16.183 9.914 -0.263 1.00 0.00 N ATOM 0 H ARG A 39 11.531 4.069 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 39 10.937 6.843 -0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 39 13.052 5.503 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.285 6.673 -3.112 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.481 8.326 -1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.630 7.170 -0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.168 7.496 -2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.932 8.138 -3.301 1.00 0.00 H new ATOM 0 HE ARG A 39 13.755 10.123 -1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.217 10.142 -3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.507 10.480 -2.281 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.561 9.661 0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.139 10.210 -0.068 1.00 0.00 H new ATOM 634 N PRO A 40 9.900 5.532 -3.381 1.00 0.00 N ATOM 635 CA PRO A 40 8.822 5.634 -4.381 1.00 0.00 C ATOM 636 C PRO A 40 7.578 4.859 -3.924 1.00 0.00 C ATOM 637 O PRO A 40 7.013 4.059 -4.649 1.00 0.00 O ATOM 638 CB PRO A 40 9.448 5.033 -5.636 1.00 0.00 C ATOM 639 CG PRO A 40 10.551 4.130 -5.159 1.00 0.00 C ATOM 640 CD PRO A 40 10.835 4.451 -3.707 1.00 0.00 C ATOM 0 HA PRO A 40 8.473 6.654 -4.543 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.709 4.475 -6.212 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.838 5.814 -6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.259 3.085 -5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.447 4.275 -5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.675 3.582 -3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.869 4.764 -3.565 1.00 0.00 H new ATOM 648 N CYS A 41 7.142 5.108 -2.722 1.00 0.00 N ATOM 649 CA CYS A 41 5.928 4.414 -2.207 1.00 0.00 C ATOM 650 C CYS A 41 4.732 5.373 -2.226 1.00 0.00 C ATOM 651 O CYS A 41 4.736 6.399 -1.573 1.00 0.00 O ATOM 652 CB CYS A 41 6.269 4.005 -0.774 1.00 0.00 C ATOM 653 SG CYS A 41 6.791 5.460 0.171 1.00 0.00 S ATOM 0 H CYS A 41 7.575 5.764 -2.071 1.00 0.00 H new ATOM 0 HA CYS A 41 5.658 3.550 -2.815 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.401 3.545 -0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.063 3.258 -0.778 1.00 0.00 H new ATOM 0 HG CYS A 41 6.345 6.536 -0.407 1.00 0.00 H new ATOM 659 N MET A 42 3.713 5.051 -2.975 1.00 0.00 N ATOM 660 CA MET A 42 2.519 5.945 -3.043 1.00 0.00 C ATOM 661 C MET A 42 1.245 5.157 -2.728 1.00 0.00 C ATOM 662 O MET A 42 1.275 3.957 -2.548 1.00 0.00 O ATOM 663 CB MET A 42 2.489 6.451 -4.485 1.00 0.00 C ATOM 664 CG MET A 42 3.816 7.137 -4.814 1.00 0.00 C ATOM 665 SD MET A 42 3.782 7.729 -6.524 1.00 0.00 S ATOM 666 CE MET A 42 4.135 6.142 -7.319 1.00 0.00 C ATOM 0 H MET A 42 3.654 4.207 -3.544 1.00 0.00 H new ATOM 0 HA MET A 42 2.573 6.760 -2.322 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.318 5.620 -5.169 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.663 7.150 -4.619 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.985 7.971 -4.133 1.00 0.00 H new ATOM 0 HG3 MET A 42 4.642 6.440 -4.676 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.123 6.177 -7.779 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.110 5.348 -6.573 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.385 5.944 -8.085 1.00 0.00 H new ATOM 676 N LYS A 43 0.122 5.820 -2.661 1.00 0.00 N ATOM 677 CA LYS A 43 -1.145 5.095 -2.358 1.00 0.00 C ATOM 678 C LYS A 43 -2.350 5.826 -2.961 1.00 0.00 C ATOM 679 O LYS A 43 -2.427 7.039 -2.946 1.00 0.00 O ATOM 680 CB LYS A 43 -1.235 5.081 -0.833 1.00 0.00 C ATOM 681 CG LYS A 43 -2.580 4.492 -0.405 1.00 0.00 C ATOM 682 CD LYS A 43 -3.463 5.600 0.174 1.00 0.00 C ATOM 683 CE LYS A 43 -4.763 4.993 0.703 1.00 0.00 C ATOM 684 NZ LYS A 43 -5.702 6.143 0.825 1.00 0.00 N ATOM 0 H LYS A 43 0.027 6.826 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.150 4.090 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.419 4.491 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.129 6.093 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.074 4.028 -1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.426 3.710 0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.937 6.116 0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.682 6.343 -0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.152 4.236 0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.608 4.506 1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.681 5.801 0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.569 6.603 1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.512 6.828 0.066 1.00 0.00 H new ATOM 698 N LYS A 44 -3.293 5.090 -3.486 1.00 0.00 N ATOM 699 CA LYS A 44 -4.501 5.729 -4.085 1.00 0.00 C ATOM 700 C LYS A 44 -5.755 4.945 -3.684 1.00 0.00 C ATOM 701 O LYS A 44 -5.866 3.763 -3.940 1.00 0.00 O ATOM 702 CB LYS A 44 -4.283 5.656 -5.598 1.00 0.00 C ATOM 703 CG LYS A 44 -2.944 6.306 -5.954 1.00 0.00 C ATOM 704 CD LYS A 44 -2.957 6.724 -7.425 1.00 0.00 C ATOM 705 CE LYS A 44 -1.866 7.770 -7.668 1.00 0.00 C ATOM 706 NZ LYS A 44 -1.119 7.276 -8.858 1.00 0.00 N ATOM 0 H LYS A 44 -3.279 4.071 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.640 6.756 -3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.294 4.617 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.095 6.164 -6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.769 7.175 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.128 5.607 -5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.791 5.855 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.932 7.132 -7.690 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.297 8.754 -7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.211 7.866 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.596 8.064 -9.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.450 6.536 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.789 6.883 -9.550 1.00 0.00 H new ATOM 720 N THR A 45 -6.693 5.591 -3.048 1.00 0.00 N ATOM 721 CA THR A 45 -7.931 4.872 -2.622 1.00 0.00 C ATOM 722 C THR A 45 -9.126 5.304 -3.469 1.00 0.00 C ATOM 723 O THR A 45 -9.187 6.410 -3.967 1.00 0.00 O ATOM 724 CB THR A 45 -8.139 5.285 -1.156 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.191 4.610 -0.344 1.00 0.00 O ATOM 726 CG2 THR A 45 -9.557 4.922 -0.681 1.00 0.00 C ATOM 0 H THR A 45 -6.658 6.581 -2.805 1.00 0.00 H new ATOM 0 HA THR A 45 -7.838 3.793 -2.741 1.00 0.00 H new ATOM 0 HB THR A 45 -8.009 6.364 -1.076 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.650 4.187 0.412 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.681 5.224 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.291 5.439 -1.299 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.705 3.845 -0.766 1.00 0.00 H new ATOM 734 N ILE A 46 -10.103 4.448 -3.588 1.00 0.00 N ATOM 735 CA ILE A 46 -11.324 4.805 -4.342 1.00 0.00 C ATOM 736 C ILE A 46 -12.469 4.729 -3.346 1.00 0.00 C ATOM 737 O ILE A 46 -12.893 3.660 -2.967 1.00 0.00 O ATOM 738 CB ILE A 46 -11.461 3.745 -5.439 1.00 0.00 C ATOM 739 CG1 ILE A 46 -12.660 4.084 -6.326 1.00 0.00 C ATOM 740 CG2 ILE A 46 -11.669 2.367 -4.806 1.00 0.00 C ATOM 741 CD1 ILE A 46 -12.974 2.897 -7.239 1.00 0.00 C ATOM 0 H ILE A 46 -10.102 3.509 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.307 5.796 -4.795 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.552 3.730 -6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.527 4.320 -5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.444 4.969 -6.924 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.766 1.617 -5.591 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.814 2.124 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.575 2.378 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.829 3.140 -7.871 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.109 2.682 -7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.209 2.023 -6.632 1.00 0.00 H new ATOM 753 N TYR A 47 -12.928 5.842 -2.858 1.00 0.00 N ATOM 754 CA TYR A 47 -13.998 5.785 -1.832 1.00 0.00 C ATOM 755 C TYR A 47 -15.336 6.290 -2.363 1.00 0.00 C ATOM 756 O TYR A 47 -15.509 6.562 -3.535 1.00 0.00 O ATOM 757 CB TYR A 47 -13.499 6.670 -0.691 1.00 0.00 C ATOM 758 CG TYR A 47 -13.066 8.010 -1.234 1.00 0.00 C ATOM 759 CD1 TYR A 47 -14.022 8.918 -1.701 1.00 0.00 C ATOM 760 CD2 TYR A 47 -11.708 8.347 -1.265 1.00 0.00 C ATOM 761 CE1 TYR A 47 -13.621 10.162 -2.202 1.00 0.00 C ATOM 762 CE2 TYR A 47 -11.306 9.591 -1.765 1.00 0.00 C ATOM 763 CZ TYR A 47 -12.262 10.498 -2.233 1.00 0.00 C ATOM 764 OH TYR A 47 -11.867 11.726 -2.726 1.00 0.00 O ATOM 0 H TYR A 47 -12.614 6.776 -3.120 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.183 4.759 -1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.288 6.805 0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -12.665 6.187 -0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -15.070 8.659 -1.675 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.970 7.647 -0.903 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -14.359 10.862 -2.564 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.258 9.850 -1.789 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.261 12.156 -2.087 1.00 0.00 H new ATOM 774 N GLU A 48 -16.284 6.382 -1.481 1.00 0.00 N ATOM 775 CA GLU A 48 -17.654 6.831 -1.845 1.00 0.00 C ATOM 776 C GLU A 48 -17.692 8.313 -2.212 1.00 0.00 C ATOM 777 O GLU A 48 -16.796 8.839 -2.841 1.00 0.00 O ATOM 778 CB GLU A 48 -18.441 6.580 -0.566 1.00 0.00 C ATOM 779 CG GLU A 48 -18.054 7.611 0.512 1.00 0.00 C ATOM 780 CD GLU A 48 -16.960 7.038 1.419 1.00 0.00 C ATOM 781 OE1 GLU A 48 -16.120 6.309 0.920 1.00 0.00 O ATOM 782 OE2 GLU A 48 -16.982 7.342 2.600 1.00 0.00 O ATOM 0 H GLU A 48 -16.164 6.158 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 48 -18.047 6.310 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -19.510 6.642 -0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -18.244 5.572 -0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.702 8.528 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -18.929 7.874 1.106 1.00 0.00 H new ATOM 789 N ASN A 49 -18.734 8.991 -1.806 1.00 0.00 N ATOM 790 CA ASN A 49 -18.843 10.445 -2.112 1.00 0.00 C ATOM 791 C ASN A 49 -19.435 11.168 -0.905 1.00 0.00 C ATOM 792 O ASN A 49 -19.015 12.246 -0.537 1.00 0.00 O ATOM 793 CB ASN A 49 -19.787 10.533 -3.312 1.00 0.00 C ATOM 794 CG ASN A 49 -19.396 11.730 -4.181 1.00 0.00 C ATOM 795 OD1 ASN A 49 -18.230 11.956 -4.435 1.00 0.00 O ATOM 796 ND2 ASN A 49 -20.330 12.512 -4.651 1.00 0.00 N ATOM 0 H ASN A 49 -19.513 8.599 -1.276 1.00 0.00 H new ATOM 0 HA ASN A 49 -17.879 10.905 -2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -19.737 9.614 -3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -20.817 10.638 -2.971 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.080 13.313 -5.232 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -21.309 12.322 -4.438 1.00 0.00 H new ATOM 803 N GLU A 50 -20.408 10.566 -0.287 1.00 0.00 N ATOM 804 CA GLU A 50 -21.046 11.183 0.907 1.00 0.00 C ATOM 805 C GLU A 50 -22.171 10.275 1.402 1.00 0.00 C ATOM 806 O GLU A 50 -23.173 10.735 1.913 1.00 0.00 O ATOM 807 CB GLU A 50 -21.607 12.519 0.416 1.00 0.00 C ATOM 808 CG GLU A 50 -22.390 13.190 1.545 1.00 0.00 C ATOM 809 CD GLU A 50 -23.873 13.253 1.171 1.00 0.00 C ATOM 810 OE1 GLU A 50 -24.165 13.261 -0.012 1.00 0.00 O ATOM 811 OE2 GLU A 50 -24.690 13.291 2.076 1.00 0.00 O ATOM 0 H GLU A 50 -20.794 9.662 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 50 -20.349 11.323 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -20.795 13.167 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.256 12.359 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -22.261 12.632 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.006 14.195 1.721 1.00 0.00 H new ATOM 818 N ARG A 51 -22.021 8.985 1.245 1.00 0.00 N ATOM 819 CA ARG A 51 -23.096 8.060 1.702 1.00 0.00 C ATOM 820 C ARG A 51 -22.605 6.606 1.779 1.00 0.00 C ATOM 821 O ARG A 51 -23.128 5.818 2.543 1.00 0.00 O ATOM 822 CB ARG A 51 -24.195 8.191 0.647 1.00 0.00 C ATOM 823 CG ARG A 51 -25.534 7.762 1.247 1.00 0.00 C ATOM 824 CD ARG A 51 -26.644 8.680 0.730 1.00 0.00 C ATOM 825 NE ARG A 51 -27.728 8.582 1.746 1.00 0.00 N ATOM 826 CZ ARG A 51 -28.582 7.597 1.698 1.00 0.00 C ATOM 827 NH1 ARG A 51 -29.175 7.303 0.573 1.00 0.00 N ATOM 828 NH2 ARG A 51 -28.845 6.906 2.773 1.00 0.00 N ATOM 0 H ARG A 51 -21.207 8.537 0.824 1.00 0.00 H new ATOM 0 HA ARG A 51 -23.438 8.314 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -24.255 9.221 0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -23.958 7.573 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -25.749 6.727 0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -25.488 7.807 2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -26.291 9.706 0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -26.994 8.362 -0.252 1.00 0.00 H new ATOM 0 HE ARG A 51 -27.803 9.286 2.480 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -28.971 7.843 -0.268 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -29.843 6.533 0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -28.383 7.136 3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -29.513 6.136 2.734 1.00 0.00 H new ATOM 842 N GLU A 52 -21.623 6.224 1.001 1.00 0.00 N ATOM 843 CA GLU A 52 -21.157 4.802 1.068 1.00 0.00 C ATOM 844 C GLU A 52 -19.645 4.730 1.245 1.00 0.00 C ATOM 845 O GLU A 52 -19.029 5.618 1.792 1.00 0.00 O ATOM 846 CB GLU A 52 -21.574 4.183 -0.268 1.00 0.00 C ATOM 847 CG GLU A 52 -20.758 4.804 -1.403 1.00 0.00 C ATOM 848 CD GLU A 52 -21.068 4.077 -2.713 1.00 0.00 C ATOM 849 OE1 GLU A 52 -22.124 3.470 -2.795 1.00 0.00 O ATOM 850 OE2 GLU A 52 -20.246 4.137 -3.611 1.00 0.00 O ATOM 0 H GLU A 52 -21.132 6.820 0.335 1.00 0.00 H new ATOM 0 HA GLU A 52 -21.590 4.274 1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.419 3.104 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.638 4.348 -0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.995 5.864 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.693 4.735 -1.180 1.00 0.00 H new ATOM 857 N ILE A 53 -19.050 3.671 0.776 1.00 0.00 N ATOM 858 CA ILE A 53 -17.564 3.509 0.889 1.00 0.00 C ATOM 859 C ILE A 53 -17.081 2.481 -0.138 1.00 0.00 C ATOM 860 O ILE A 53 -17.580 1.377 -0.202 1.00 0.00 O ATOM 861 CB ILE A 53 -17.317 3.013 2.314 1.00 0.00 C ATOM 862 CG1 ILE A 53 -17.442 4.193 3.286 1.00 0.00 C ATOM 863 CG2 ILE A 53 -15.911 2.414 2.407 1.00 0.00 C ATOM 864 CD1 ILE A 53 -16.814 3.827 4.633 1.00 0.00 C ATOM 0 H ILE A 53 -19.530 2.899 0.313 1.00 0.00 H new ATOM 0 HA ILE A 53 -17.026 4.437 0.695 1.00 0.00 H new ATOM 0 HB ILE A 53 -18.051 2.250 2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -16.947 5.071 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -18.492 4.453 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.733 2.060 3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.824 1.580 1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.174 3.176 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -16.906 4.670 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -17.328 2.961 5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.760 3.589 4.490 1.00 0.00 H new ATOM 876 N LYS A 54 -16.126 2.842 -0.960 1.00 0.00 N ATOM 877 CA LYS A 54 -15.640 1.885 -1.998 1.00 0.00 C ATOM 878 C LYS A 54 -14.463 1.039 -1.495 1.00 0.00 C ATOM 879 O LYS A 54 -14.643 -0.115 -1.166 1.00 0.00 O ATOM 880 CB LYS A 54 -15.225 2.753 -3.180 1.00 0.00 C ATOM 881 CG LYS A 54 -16.372 2.818 -4.189 1.00 0.00 C ATOM 882 CD LYS A 54 -16.081 3.903 -5.228 1.00 0.00 C ATOM 883 CE LYS A 54 -17.315 4.112 -6.108 1.00 0.00 C ATOM 884 NZ LYS A 54 -17.149 3.155 -7.237 1.00 0.00 N ATOM 0 H LYS A 54 -15.666 3.752 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.416 1.169 -2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.970 3.756 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.333 2.341 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.492 1.853 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.309 3.034 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.814 4.835 -4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.228 3.614 -5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.233 3.914 -5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.375 5.139 -6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.958 3.239 -7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.271 3.372 -7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.102 2.185 -6.866 1.00 0.00 H new ATOM 898 N GLY A 55 -13.258 1.561 -1.437 1.00 0.00 N ATOM 899 CA GLY A 55 -12.142 0.697 -0.958 1.00 0.00 C ATOM 900 C GLY A 55 -10.841 1.491 -0.928 1.00 0.00 C ATOM 901 O GLY A 55 -10.807 2.653 -1.277 1.00 0.00 O ATOM 0 H GLY A 55 -13.009 2.516 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.368 0.317 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.034 -0.168 -1.613 1.00 0.00 H new ATOM 905 N TYR A 56 -9.769 0.871 -0.513 1.00 0.00 N ATOM 906 CA TYR A 56 -8.467 1.594 -0.454 1.00 0.00 C ATOM 907 C TYR A 56 -7.350 0.749 -1.074 1.00 0.00 C ATOM 908 O TYR A 56 -7.046 -0.332 -0.613 1.00 0.00 O ATOM 909 CB TYR A 56 -8.201 1.808 1.038 1.00 0.00 C ATOM 910 CG TYR A 56 -9.329 2.604 1.647 1.00 0.00 C ATOM 911 CD1 TYR A 56 -10.589 2.018 1.819 1.00 0.00 C ATOM 912 CD2 TYR A 56 -9.116 3.931 2.040 1.00 0.00 C ATOM 913 CE1 TYR A 56 -11.635 2.757 2.386 1.00 0.00 C ATOM 914 CE2 TYR A 56 -10.162 4.671 2.606 1.00 0.00 C ATOM 915 CZ TYR A 56 -11.420 4.084 2.778 1.00 0.00 C ATOM 916 OH TYR A 56 -12.451 4.813 3.336 1.00 0.00 O ATOM 0 H TYR A 56 -9.739 -0.103 -0.213 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.498 2.532 -1.009 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.108 0.846 1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.256 2.333 1.177 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.754 0.995 1.514 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.145 4.384 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -12.606 2.304 2.521 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.997 5.694 2.909 1.00 0.00 H new ATOM 0 HH TYR A 56 -12.134 5.715 3.553 1.00 0.00 H new ATOM 926 N GLU A 57 -6.728 1.244 -2.107 1.00 0.00 N ATOM 927 CA GLU A 57 -5.620 0.478 -2.746 1.00 0.00 C ATOM 928 C GLU A 57 -4.358 1.337 -2.784 1.00 0.00 C ATOM 929 O GLU A 57 -4.415 2.537 -2.606 1.00 0.00 O ATOM 930 CB GLU A 57 -6.109 0.168 -4.162 1.00 0.00 C ATOM 931 CG GLU A 57 -7.482 -0.503 -4.094 1.00 0.00 C ATOM 932 CD GLU A 57 -8.482 0.293 -4.934 1.00 0.00 C ATOM 933 OE1 GLU A 57 -8.297 0.356 -6.138 1.00 0.00 O ATOM 934 OE2 GLU A 57 -9.416 0.827 -4.359 1.00 0.00 O ATOM 0 H GLU A 57 -6.938 2.145 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.373 -0.433 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.170 1.086 -4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.398 -0.485 -4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.416 -1.527 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.821 -0.557 -3.060 1.00 0.00 H new ATOM 941 N TYR A 58 -3.215 0.747 -3.004 1.00 0.00 N ATOM 942 CA TYR A 58 -1.976 1.583 -3.033 1.00 0.00 C ATOM 943 C TYR A 58 -0.838 0.923 -3.810 1.00 0.00 C ATOM 944 O TYR A 58 -0.844 -0.261 -4.087 1.00 0.00 O ATOM 945 CB TYR A 58 -1.593 1.784 -1.554 1.00 0.00 C ATOM 946 CG TYR A 58 -0.520 0.801 -1.093 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.557 -0.546 -1.487 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.498 1.239 -0.233 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.412 -1.440 -1.019 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.466 0.345 0.226 1.00 0.00 C ATOM 951 CZ TYR A 58 1.421 -0.995 -0.162 1.00 0.00 C ATOM 952 OH TYR A 58 2.374 -1.881 0.297 1.00 0.00 O ATOM 0 H TYR A 58 -3.083 -0.252 -3.162 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.156 2.526 -3.549 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.235 2.803 -1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.481 1.667 -0.932 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.334 -0.892 -2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.533 2.273 0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.380 -2.476 -1.321 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.251 0.690 0.882 1.00 0.00 H new ATOM 0 HH TYR A 58 1.978 -2.462 0.980 1.00 0.00 H new ATOM 962 N GLN A 59 0.157 1.700 -4.118 1.00 0.00 N ATOM 963 CA GLN A 59 1.347 1.176 -4.829 1.00 0.00 C ATOM 964 C GLN A 59 2.571 1.520 -3.981 1.00 0.00 C ATOM 965 O GLN A 59 2.832 2.670 -3.692 1.00 0.00 O ATOM 966 CB GLN A 59 1.381 1.907 -6.173 1.00 0.00 C ATOM 967 CG GLN A 59 1.456 3.417 -5.936 1.00 0.00 C ATOM 968 CD GLN A 59 1.307 4.151 -7.270 1.00 0.00 C ATOM 969 OE1 GLN A 59 0.739 5.224 -7.326 1.00 0.00 O ATOM 970 NE2 GLN A 59 1.796 3.614 -8.355 1.00 0.00 N ATOM 0 H GLN A 59 0.195 2.696 -3.902 1.00 0.00 H new ATOM 0 HA GLN A 59 1.326 0.098 -4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.241 1.577 -6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.491 1.664 -6.753 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.669 3.727 -5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.407 3.676 -5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.273 2.713 -8.308 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.701 4.095 -9.249 1.00 0.00 H new ATOM 979 N LEU A 60 3.306 0.539 -3.558 1.00 0.00 N ATOM 980 CA LEU A 60 4.486 0.817 -2.704 1.00 0.00 C ATOM 981 C LEU A 60 5.747 0.432 -3.451 1.00 0.00 C ATOM 982 O LEU A 60 6.441 -0.496 -3.088 1.00 0.00 O ATOM 983 CB LEU A 60 4.280 -0.063 -1.472 1.00 0.00 C ATOM 984 CG LEU A 60 5.213 0.385 -0.343 1.00 0.00 C ATOM 985 CD1 LEU A 60 4.460 1.344 0.583 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.656 -0.836 0.464 1.00 0.00 C ATOM 0 H LEU A 60 3.141 -0.446 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 60 4.588 1.868 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.243 -0.003 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.475 -1.106 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 60 6.084 0.884 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.120 1.666 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.130 2.214 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.593 0.836 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.320 -0.519 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.781 -1.328 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.183 -1.532 -0.189 1.00 0.00 H new ATOM 998 N TYR A 61 6.051 1.149 -4.489 1.00 0.00 N ATOM 999 CA TYR A 61 7.266 0.837 -5.264 1.00 0.00 C ATOM 1000 C TYR A 61 8.478 1.173 -4.404 1.00 0.00 C ATOM 1001 O TYR A 61 8.755 2.321 -4.128 1.00 0.00 O ATOM 1002 CB TYR A 61 7.152 1.731 -6.490 1.00 0.00 C ATOM 1003 CG TYR A 61 8.153 1.302 -7.533 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.520 1.282 -7.229 1.00 0.00 C ATOM 1005 CD2 TYR A 61 7.713 0.923 -8.807 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.445 0.883 -8.199 1.00 0.00 C ATOM 1007 CE2 TYR A 61 8.640 0.524 -9.777 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.005 0.504 -9.473 1.00 0.00 C ATOM 1009 OH TYR A 61 10.917 0.112 -10.429 1.00 0.00 O ATOM 0 H TYR A 61 5.506 1.940 -4.832 1.00 0.00 H new ATOM 0 HA TYR A 61 7.372 -0.208 -5.555 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.143 1.676 -6.898 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.327 2.770 -6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.859 1.574 -6.246 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.659 0.938 -9.041 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.499 0.867 -7.965 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.301 0.232 -10.760 1.00 0.00 H new ATOM 0 HH TYR A 61 11.209 0.894 -10.943 1.00 0.00 H new ATOM 1019 N VAL A 62 9.171 0.170 -3.938 1.00 0.00 N ATOM 1020 CA VAL A 62 10.339 0.413 -3.049 1.00 0.00 C ATOM 1021 C VAL A 62 11.249 -0.806 -3.058 1.00 0.00 C ATOM 1022 O VAL A 62 11.233 -1.605 -3.972 1.00 0.00 O ATOM 1023 CB VAL A 62 9.728 0.588 -1.658 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.839 1.830 -1.629 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.887 -0.642 -1.321 1.00 0.00 C ATOM 0 H VAL A 62 8.976 -0.811 -4.137 1.00 0.00 H new ATOM 0 HA VAL A 62 10.932 1.273 -3.359 1.00 0.00 H new ATOM 0 HB VAL A 62 10.528 0.704 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.408 1.946 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.435 2.710 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.038 1.721 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.449 -0.523 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.092 -0.752 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.519 -1.530 -1.334 1.00 0.00 H new ATOM 1035 N TYR A 63 12.027 -0.962 -2.034 1.00 0.00 N ATOM 1036 CA TYR A 63 12.926 -2.142 -1.962 1.00 0.00 C ATOM 1037 C TYR A 63 13.125 -2.557 -0.507 1.00 0.00 C ATOM 1038 O TYR A 63 13.415 -1.744 0.347 1.00 0.00 O ATOM 1039 CB TYR A 63 14.246 -1.689 -2.580 1.00 0.00 C ATOM 1040 CG TYR A 63 15.186 -2.869 -2.712 1.00 0.00 C ATOM 1041 CD1 TYR A 63 14.699 -4.186 -2.651 1.00 0.00 C ATOM 1042 CD2 TYR A 63 16.550 -2.640 -2.904 1.00 0.00 C ATOM 1043 CE1 TYR A 63 15.584 -5.264 -2.781 1.00 0.00 C ATOM 1044 CE2 TYR A 63 17.434 -3.719 -3.035 1.00 0.00 C ATOM 1045 CZ TYR A 63 16.950 -5.031 -2.974 1.00 0.00 C ATOM 1046 OH TYR A 63 17.820 -6.093 -3.104 1.00 0.00 O ATOM 0 H TYR A 63 12.082 -0.324 -1.240 1.00 0.00 H new ATOM 0 HA TYR A 63 12.516 -3.004 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.066 -1.245 -3.559 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.702 -0.917 -1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.644 -4.367 -2.504 1.00 0.00 H new ATOM 0 HD2 TYR A 63 16.925 -1.628 -2.952 1.00 0.00 H new ATOM 0 HE1 TYR A 63 15.211 -6.276 -2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 63 18.488 -3.539 -3.183 1.00 0.00 H new ATOM 0 HH TYR A 63 18.731 -5.756 -3.233 1.00 0.00 H new ATOM 1056 N ALA A 64 12.963 -3.815 -0.219 1.00 0.00 N ATOM 1057 CA ALA A 64 13.135 -4.289 1.177 1.00 0.00 C ATOM 1058 C ALA A 64 14.134 -5.454 1.212 1.00 0.00 C ATOM 1059 O ALA A 64 15.252 -5.329 0.755 1.00 0.00 O ATOM 1060 CB ALA A 64 11.741 -4.744 1.588 1.00 0.00 C ATOM 0 H ALA A 64 12.718 -4.539 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 64 13.529 -3.525 1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.766 -5.114 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.050 -3.904 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.407 -5.541 0.923 1.00 0.00 H new ATOM 1066 N SER A 65 13.744 -6.586 1.739 1.00 0.00 N ATOM 1067 CA SER A 65 14.678 -7.748 1.780 1.00 0.00 C ATOM 1068 C SER A 65 14.489 -8.602 0.523 1.00 0.00 C ATOM 1069 O SER A 65 15.419 -9.194 0.013 1.00 0.00 O ATOM 1070 CB SER A 65 14.284 -8.533 3.029 1.00 0.00 C ATOM 1071 OG SER A 65 12.921 -8.921 2.929 1.00 0.00 O ATOM 0 H SER A 65 12.822 -6.755 2.141 1.00 0.00 H new ATOM 0 HA SER A 65 15.724 -7.444 1.811 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.918 -9.413 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.436 -7.923 3.919 1.00 0.00 H new ATOM 0 HG SER A 65 12.856 -9.898 2.958 1.00 0.00 H new ATOM 1077 N ASP A 66 13.286 -8.661 0.020 1.00 0.00 N ATOM 1078 CA ASP A 66 13.020 -9.465 -1.209 1.00 0.00 C ATOM 1079 C ASP A 66 11.946 -8.774 -2.055 1.00 0.00 C ATOM 1080 O ASP A 66 11.379 -9.354 -2.959 1.00 0.00 O ATOM 1081 CB ASP A 66 12.517 -10.817 -0.699 1.00 0.00 C ATOM 1082 CG ASP A 66 13.375 -11.937 -1.292 1.00 0.00 C ATOM 1083 OD1 ASP A 66 13.864 -11.760 -2.396 1.00 0.00 O ATOM 1084 OD2 ASP A 66 13.528 -12.951 -0.631 1.00 0.00 O ATOM 0 H ASP A 66 12.472 -8.185 0.409 1.00 0.00 H new ATOM 0 HA ASP A 66 13.904 -9.575 -1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.563 -10.847 0.390 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.473 -10.958 -0.978 1.00 0.00 H new ATOM 1089 N LYS A 67 11.665 -7.534 -1.758 1.00 0.00 N ATOM 1090 CA LYS A 67 10.633 -6.783 -2.528 1.00 0.00 C ATOM 1091 C LYS A 67 11.301 -5.736 -3.417 1.00 0.00 C ATOM 1092 O LYS A 67 11.308 -4.560 -3.116 1.00 0.00 O ATOM 1093 CB LYS A 67 9.779 -6.112 -1.463 1.00 0.00 C ATOM 1094 CG LYS A 67 8.938 -4.999 -2.090 1.00 0.00 C ATOM 1095 CD LYS A 67 9.179 -3.697 -1.323 1.00 0.00 C ATOM 1096 CE LYS A 67 8.865 -3.914 0.159 1.00 0.00 C ATOM 1097 NZ LYS A 67 9.305 -2.663 0.836 1.00 0.00 N ATOM 0 H LYS A 67 12.110 -7.005 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 67 10.046 -7.426 -3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.129 -6.848 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.416 -5.700 -0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.204 -4.872 -3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.881 -5.264 -2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.214 -3.377 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.551 -2.903 -1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.801 -4.093 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.395 -4.782 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.573 -2.876 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.123 -2.265 0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.526 -1.974 0.831 1.00 0.00 H new ATOM 1111 N LEU A 68 11.844 -6.159 -4.512 1.00 0.00 N ATOM 1112 CA LEU A 68 12.505 -5.201 -5.446 1.00 0.00 C ATOM 1113 C LEU A 68 11.481 -4.690 -6.450 1.00 0.00 C ATOM 1114 O LEU A 68 11.538 -5.007 -7.621 1.00 0.00 O ATOM 1115 CB LEU A 68 13.578 -6.013 -6.164 1.00 0.00 C ATOM 1116 CG LEU A 68 14.962 -5.506 -5.759 1.00 0.00 C ATOM 1117 CD1 LEU A 68 15.821 -6.681 -5.288 1.00 0.00 C ATOM 1118 CD2 LEU A 68 15.631 -4.837 -6.962 1.00 0.00 C ATOM 0 H LEU A 68 11.863 -7.134 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 68 12.928 -4.340 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.478 -7.069 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.450 -5.929 -7.243 1.00 0.00 H new ATOM 0 HG LEU A 68 14.860 -4.784 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.807 -6.318 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.346 -7.159 -4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.923 -7.404 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.618 -4.475 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 68 15.731 -5.560 -7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 68 15.021 -3.999 -7.298 1.00 0.00 H new ATOM 1130 N PHE A 69 10.535 -3.914 -6.005 1.00 0.00 N ATOM 1131 CA PHE A 69 9.505 -3.403 -6.945 1.00 0.00 C ATOM 1132 C PHE A 69 8.414 -2.656 -6.167 1.00 0.00 C ATOM 1133 O PHE A 69 8.695 -1.679 -5.508 1.00 0.00 O ATOM 1134 CB PHE A 69 8.961 -4.651 -7.655 1.00 0.00 C ATOM 1135 CG PHE A 69 8.861 -5.822 -6.698 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.391 -5.640 -5.390 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.243 -7.099 -7.129 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.303 -6.732 -4.520 1.00 0.00 C ATOM 1139 CE2 PHE A 69 9.156 -8.190 -6.257 1.00 0.00 C ATOM 1140 CZ PHE A 69 8.685 -8.007 -4.953 1.00 0.00 C ATOM 0 H PHE A 69 10.431 -3.613 -5.036 1.00 0.00 H new ATOM 0 HA PHE A 69 9.901 -2.689 -7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.978 -4.435 -8.075 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.613 -4.913 -8.488 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.097 -4.657 -5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.605 -7.242 -8.136 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.940 -6.591 -3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.453 -9.173 -6.591 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.616 -8.849 -4.280 1.00 0.00 H new ATOM 1150 N ARG A 70 7.177 -3.090 -6.223 1.00 0.00 N ATOM 1151 CA ARG A 70 6.115 -2.363 -5.467 1.00 0.00 C ATOM 1152 C ARG A 70 5.196 -3.322 -4.725 1.00 0.00 C ATOM 1153 O ARG A 70 4.570 -4.182 -5.311 1.00 0.00 O ATOM 1154 CB ARG A 70 5.305 -1.605 -6.519 1.00 0.00 C ATOM 1155 CG ARG A 70 4.041 -0.994 -5.879 1.00 0.00 C ATOM 1156 CD ARG A 70 2.950 -0.870 -6.944 1.00 0.00 C ATOM 1157 NE ARG A 70 3.610 -0.188 -8.092 1.00 0.00 N ATOM 1158 CZ ARG A 70 3.221 -0.442 -9.312 1.00 0.00 C ATOM 1159 NH1 ARG A 70 2.046 -0.045 -9.718 1.00 0.00 N ATOM 1160 NH2 ARG A 70 4.007 -1.093 -10.125 1.00 0.00 N ATOM 0 H ARG A 70 6.863 -3.904 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 70 6.561 -1.706 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.915 -0.817 -6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.023 -2.280 -7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.695 -1.621 -5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.269 -0.015 -5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.567 -1.849 -7.233 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.102 -0.292 -6.576 1.00 0.00 H new ATOM 0 HE ARG A 70 4.365 0.477 -7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.432 0.464 -9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.742 -0.243 -10.671 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.925 -1.403 -9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.703 -1.292 -11.078 1.00 0.00 H new ATOM 1174 N ALA A 71 5.062 -3.136 -3.446 1.00 0.00 N ATOM 1175 CA ALA A 71 4.127 -3.988 -2.678 1.00 0.00 C ATOM 1176 C ALA A 71 2.733 -3.393 -2.857 1.00 0.00 C ATOM 1177 O ALA A 71 2.416 -2.364 -2.293 1.00 0.00 O ATOM 1178 CB ALA A 71 4.586 -3.890 -1.222 1.00 0.00 C ATOM 0 H ALA A 71 5.560 -2.431 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 71 4.108 -5.030 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.936 -4.499 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.612 -4.250 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.538 -2.851 -0.895 1.00 0.00 H new ATOM 1184 N ASP A 72 1.911 -3.998 -3.664 1.00 0.00 N ATOM 1185 CA ASP A 72 0.555 -3.429 -3.895 1.00 0.00 C ATOM 1186 C ASP A 72 -0.431 -3.986 -2.871 1.00 0.00 C ATOM 1187 O ASP A 72 -0.225 -5.042 -2.314 1.00 0.00 O ATOM 1188 CB ASP A 72 0.173 -3.876 -5.305 1.00 0.00 C ATOM 1189 CG ASP A 72 -1.230 -3.369 -5.641 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -1.374 -2.176 -5.848 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -2.139 -4.183 -5.683 1.00 0.00 O ATOM 0 H ASP A 72 2.117 -4.858 -4.172 1.00 0.00 H new ATOM 0 HA ASP A 72 0.539 -2.344 -3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.893 -3.490 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.204 -4.963 -5.374 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.502 -3.284 -2.633 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.525 -3.764 -1.659 1.00 0.00 C ATOM 1198 C ILE A 73 -3.852 -3.064 -1.955 1.00 0.00 C ATOM 1199 O ILE A 73 -3.952 -1.857 -1.893 1.00 0.00 O ATOM 1200 CB ILE A 73 -1.975 -3.411 -0.262 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -2.338 -4.533 0.714 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.565 -2.092 0.253 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -3.857 -4.597 0.877 1.00 0.00 C ATOM 0 H ILE A 73 -1.716 -2.390 -3.075 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.711 -4.836 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.893 -3.298 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.961 -5.487 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.865 -4.356 1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.157 -1.872 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.308 -1.286 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.649 -2.180 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.115 -5.396 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.222 -3.646 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.319 -4.794 -0.090 1.00 0.00 H new ATOM 1215 N SER A 74 -4.864 -3.803 -2.301 1.00 0.00 N ATOM 1216 CA SER A 74 -6.162 -3.153 -2.622 1.00 0.00 C ATOM 1217 C SER A 74 -7.252 -3.581 -1.634 1.00 0.00 C ATOM 1218 O SER A 74 -7.293 -4.710 -1.185 1.00 0.00 O ATOM 1219 CB SER A 74 -6.503 -3.634 -4.032 1.00 0.00 C ATOM 1220 OG SER A 74 -7.911 -3.577 -4.219 1.00 0.00 O ATOM 0 H SER A 74 -4.851 -4.820 -2.375 1.00 0.00 H new ATOM 0 HA SER A 74 -6.097 -2.067 -2.557 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.001 -3.012 -4.773 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.146 -4.654 -4.177 1.00 0.00 H new ATOM 0 HG SER A 74 -8.134 -3.883 -5.123 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.145 -2.683 -1.313 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.256 -3.016 -0.374 1.00 0.00 C ATOM 1228 C GLU A 75 -10.584 -2.591 -1.007 1.00 0.00 C ATOM 1229 O GLU A 75 -10.616 -1.787 -1.916 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.974 -2.208 0.893 1.00 0.00 C ATOM 1231 CG GLU A 75 -8.529 -3.151 2.011 1.00 0.00 C ATOM 1232 CD GLU A 75 -8.972 -2.588 3.363 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -9.893 -1.788 3.376 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -8.383 -2.966 4.362 1.00 0.00 O ATOM 0 H GLU A 75 -8.152 -1.725 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.320 -4.081 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.200 -1.466 0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.868 -1.664 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.960 -4.141 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.446 -3.269 1.992 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.677 -3.138 -0.554 1.00 0.00 N ATOM 1242 CA ASP A 76 -12.994 -2.774 -1.164 1.00 0.00 C ATOM 1243 C ASP A 76 -14.016 -2.349 -0.099 1.00 0.00 C ATOM 1244 O ASP A 76 -13.658 -2.016 1.010 1.00 0.00 O ATOM 1245 CB ASP A 76 -13.433 -4.047 -1.874 1.00 0.00 C ATOM 1246 CG ASP A 76 -12.692 -4.169 -3.207 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -11.793 -3.377 -3.437 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -13.036 -5.053 -3.975 1.00 0.00 O ATOM 0 H ASP A 76 -11.720 -3.817 0.206 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.916 -1.921 -1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -13.224 -4.915 -1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.509 -4.028 -2.044 1.00 0.00 H new ATOM 1253 N TYR A 77 -15.289 -2.376 -0.445 1.00 0.00 N ATOM 1254 CA TYR A 77 -16.383 -1.982 0.506 1.00 0.00 C ATOM 1255 C TYR A 77 -17.666 -1.793 -0.303 1.00 0.00 C ATOM 1256 O TYR A 77 -18.687 -2.391 -0.025 1.00 0.00 O ATOM 1257 CB TYR A 77 -15.977 -0.644 1.142 1.00 0.00 C ATOM 1258 CG TYR A 77 -16.952 -0.307 2.246 1.00 0.00 C ATOM 1259 CD1 TYR A 77 -18.293 -0.035 1.943 1.00 0.00 C ATOM 1260 CD2 TYR A 77 -16.515 -0.271 3.576 1.00 0.00 C ATOM 1261 CE1 TYR A 77 -19.195 0.272 2.970 1.00 0.00 C ATOM 1262 CE2 TYR A 77 -17.417 0.038 4.601 1.00 0.00 C ATOM 1263 CZ TYR A 77 -18.757 0.308 4.299 1.00 0.00 C ATOM 1264 OH TYR A 77 -19.646 0.610 5.310 1.00 0.00 O ATOM 0 H TYR A 77 -15.619 -2.661 -1.367 1.00 0.00 H new ATOM 0 HA TYR A 77 -16.541 -2.736 1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -14.965 -0.709 1.541 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -15.973 0.145 0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -18.631 -0.062 0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.482 -0.482 3.811 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -20.229 0.481 2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.079 0.068 5.626 1.00 0.00 H new ATOM 0 HH TYR A 77 -19.180 0.591 6.172 1.00 0.00 H new ATOM 1274 N LYS A 78 -17.598 -0.992 -1.336 1.00 0.00 N ATOM 1275 CA LYS A 78 -18.789 -0.789 -2.208 1.00 0.00 C ATOM 1276 C LYS A 78 -18.747 -1.884 -3.256 1.00 0.00 C ATOM 1277 O LYS A 78 -19.706 -2.596 -3.478 1.00 0.00 O ATOM 1278 CB LYS A 78 -18.620 0.588 -2.855 1.00 0.00 C ATOM 1279 CG LYS A 78 -19.910 0.970 -3.582 1.00 0.00 C ATOM 1280 CD LYS A 78 -19.866 0.441 -5.018 1.00 0.00 C ATOM 1281 CE LYS A 78 -21.168 0.803 -5.735 1.00 0.00 C ATOM 1282 NZ LYS A 78 -21.296 -0.201 -6.829 1.00 0.00 N ATOM 0 H LYS A 78 -16.766 -0.470 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 78 -19.738 -0.831 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -18.384 1.333 -2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -17.785 0.573 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -20.771 0.556 -3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -20.030 2.053 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -19.015 0.869 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -19.729 -0.640 -5.015 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.019 0.757 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -21.131 1.817 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -22.167 -0.019 -7.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -20.475 -0.129 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -21.335 -1.157 -6.420 1.00 0.00 H new ATOM 1296 N THR A 79 -17.602 -2.062 -3.856 1.00 0.00 N ATOM 1297 CA THR A 79 -17.457 -3.156 -4.835 1.00 0.00 C ATOM 1298 C THR A 79 -17.515 -4.449 -4.036 1.00 0.00 C ATOM 1299 O THR A 79 -18.281 -5.337 -4.340 1.00 0.00 O ATOM 1300 CB THR A 79 -16.079 -2.959 -5.473 1.00 0.00 C ATOM 1301 OG1 THR A 79 -15.080 -3.035 -4.467 1.00 0.00 O ATOM 1302 CG2 THR A 79 -16.019 -1.590 -6.151 1.00 0.00 C ATOM 0 H THR A 79 -16.768 -1.495 -3.706 1.00 0.00 H new ATOM 0 HA THR A 79 -18.223 -3.176 -5.610 1.00 0.00 H new ATOM 0 HB THR A 79 -15.908 -3.737 -6.217 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.259 -2.608 -4.789 1.00 0.00 H new ATOM 0 HG21 THR A 79 -15.038 -1.451 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 79 -16.787 -1.532 -6.923 1.00 0.00 H new ATOM 0 HG23 THR A 79 -16.190 -0.809 -5.410 1.00 0.00 H new ATOM 1310 N ARG A 80 -16.746 -4.515 -2.968 1.00 0.00 N ATOM 1311 CA ARG A 80 -16.784 -5.720 -2.080 1.00 0.00 C ATOM 1312 C ARG A 80 -15.624 -5.759 -1.081 1.00 0.00 C ATOM 1313 O ARG A 80 -14.602 -6.359 -1.338 1.00 0.00 O ATOM 1314 CB ARG A 80 -16.717 -6.954 -2.990 1.00 0.00 C ATOM 1315 CG ARG A 80 -15.445 -6.898 -3.853 1.00 0.00 C ATOM 1316 CD ARG A 80 -15.765 -6.463 -5.291 1.00 0.00 C ATOM 1317 NE ARG A 80 -17.053 -7.125 -5.636 1.00 0.00 N ATOM 1318 CZ ARG A 80 -17.052 -8.299 -6.207 1.00 0.00 C ATOM 1319 NH1 ARG A 80 -16.939 -9.377 -5.481 1.00 0.00 N ATOM 1320 NH2 ARG A 80 -17.163 -8.394 -7.504 1.00 0.00 N ATOM 0 H ARG A 80 -16.096 -3.785 -2.677 1.00 0.00 H new ATOM 0 HA ARG A 80 -17.699 -5.693 -1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.718 -7.862 -2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -17.599 -6.994 -3.629 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.733 -6.202 -3.410 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.968 -7.878 -3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.851 -5.379 -5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.974 -6.765 -5.977 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.937 -6.661 -5.426 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.851 -9.302 -4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.938 -10.294 -5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.251 -7.551 -8.071 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.162 -9.311 -7.950 1.00 0.00 H new ATOM 1334 N GLY A 81 -15.805 -5.150 0.067 1.00 0.00 N ATOM 1335 CA GLY A 81 -14.752 -5.154 1.131 1.00 0.00 C ATOM 1336 C GLY A 81 -13.912 -6.428 1.061 1.00 0.00 C ATOM 1337 O GLY A 81 -14.371 -7.511 1.367 1.00 0.00 O ATOM 0 H GLY A 81 -16.654 -4.641 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.108 -4.282 1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.220 -5.076 2.112 1.00 0.00 H new ATOM 1341 N ARG A 82 -12.682 -6.296 0.658 1.00 0.00 N ATOM 1342 CA ARG A 82 -11.784 -7.473 0.560 1.00 0.00 C ATOM 1343 C ARG A 82 -10.336 -6.995 0.618 1.00 0.00 C ATOM 1344 O ARG A 82 -10.074 -5.808 0.650 1.00 0.00 O ATOM 1345 CB ARG A 82 -12.093 -8.092 -0.802 1.00 0.00 C ATOM 1346 CG ARG A 82 -12.819 -9.424 -0.605 1.00 0.00 C ATOM 1347 CD ARG A 82 -12.886 -10.172 -1.940 1.00 0.00 C ATOM 1348 NE ARG A 82 -13.117 -11.596 -1.572 1.00 0.00 N ATOM 1349 CZ ARG A 82 -12.286 -12.206 -0.772 1.00 0.00 C ATOM 1350 NH1 ARG A 82 -11.202 -12.754 -1.252 1.00 0.00 N ATOM 1351 NH2 ARG A 82 -12.538 -12.269 0.507 1.00 0.00 N ATOM 0 H ARG A 82 -12.256 -5.409 0.389 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.929 -8.191 1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.710 -7.413 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.170 -8.248 -1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.297 -10.028 0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.825 -9.249 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.692 -9.790 -2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.961 -10.055 -2.505 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.925 -12.095 -1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -11.005 -12.705 -2.252 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.552 -13.231 -0.627 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.385 -11.841 0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.888 -12.746 1.132 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.396 -7.896 0.629 1.00 0.00 N ATOM 1366 CA LYS A 83 -7.969 -7.472 0.681 1.00 0.00 C ATOM 1367 C LYS A 83 -7.167 -8.198 -0.402 1.00 0.00 C ATOM 1368 O LYS A 83 -7.497 -9.296 -0.804 1.00 0.00 O ATOM 1369 CB LYS A 83 -7.484 -7.876 2.074 1.00 0.00 C ATOM 1370 CG LYS A 83 -8.231 -7.061 3.132 1.00 0.00 C ATOM 1371 CD LYS A 83 -7.695 -7.414 4.521 1.00 0.00 C ATOM 1372 CE LYS A 83 -7.299 -6.133 5.258 1.00 0.00 C ATOM 1373 NZ LYS A 83 -8.028 -6.195 6.555 1.00 0.00 N ATOM 0 H LYS A 83 -9.552 -8.904 0.604 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.847 -6.403 0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.652 -8.941 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.411 -7.706 2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.104 -5.995 2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.300 -7.269 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.454 -7.953 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.834 -8.076 4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.221 -6.084 5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.580 -5.247 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.807 -5.349 7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.052 -6.234 6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.735 -7.045 7.078 1.00 0.00 H new ATOM 1387 N LEU A 84 -6.115 -7.591 -0.877 1.00 0.00 N ATOM 1388 CA LEU A 84 -5.286 -8.238 -1.933 1.00 0.00 C ATOM 1389 C LEU A 84 -4.016 -7.419 -2.146 1.00 0.00 C ATOM 1390 O LEU A 84 -4.073 -6.222 -2.338 1.00 0.00 O ATOM 1391 CB LEU A 84 -6.157 -8.224 -3.190 1.00 0.00 C ATOM 1392 CG LEU A 84 -5.513 -9.098 -4.267 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -6.175 -10.477 -4.269 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -5.703 -8.440 -5.636 1.00 0.00 C ATOM 0 H LEU A 84 -5.792 -6.671 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.982 -9.252 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.156 -8.592 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.271 -7.203 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.449 -9.207 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.716 -11.100 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.042 -10.946 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.239 -10.369 -4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.245 -9.062 -6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.768 -8.332 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.232 -7.457 -5.636 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.870 -8.037 -2.100 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.617 -7.255 -2.285 1.00 0.00 C ATOM 1408 C LEU A 85 -0.704 -7.913 -3.329 1.00 0.00 C ATOM 1409 O LEU A 85 -0.960 -9.007 -3.793 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.979 -7.220 -0.885 1.00 0.00 C ATOM 1411 CG LEU A 85 0.170 -8.224 -0.772 1.00 0.00 C ATOM 1412 CD1 LEU A 85 0.842 -8.065 0.592 1.00 0.00 C ATOM 1413 CD2 LEU A 85 -0.379 -9.648 -0.908 1.00 0.00 C ATOM 0 H LEU A 85 -2.746 -9.037 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.798 -6.250 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.609 -6.216 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.735 -7.444 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 85 0.897 -8.040 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.662 -8.778 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.230 -7.051 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.113 -8.252 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.440 -10.363 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.104 -9.836 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.864 -9.760 -1.878 1.00 0.00 H new ATOM 1425 N ARG A 86 0.356 -7.245 -3.706 1.00 0.00 N ATOM 1426 CA ARG A 86 1.279 -7.823 -4.727 1.00 0.00 C ATOM 1427 C ARG A 86 2.726 -7.403 -4.444 1.00 0.00 C ATOM 1428 O ARG A 86 3.012 -6.712 -3.487 1.00 0.00 O ATOM 1429 CB ARG A 86 0.816 -7.246 -6.069 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.713 -7.166 -6.105 1.00 0.00 C ATOM 1431 CD ARG A 86 -1.178 -6.894 -7.536 1.00 0.00 C ATOM 1432 NE ARG A 86 -2.105 -8.014 -7.857 1.00 0.00 N ATOM 1433 CZ ARG A 86 -2.799 -7.990 -8.962 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -2.188 -7.973 -10.115 1.00 0.00 N ATOM 1435 NH2 ARG A 86 -4.103 -7.983 -8.913 1.00 0.00 N ATOM 0 H ARG A 86 0.621 -6.326 -3.351 1.00 0.00 H new ATOM 0 HA ARG A 86 1.254 -8.913 -4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.244 -6.254 -6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.175 -7.871 -6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.145 -8.099 -5.743 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.062 -6.374 -5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.682 -5.930 -7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.335 -6.868 -8.227 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.198 -8.800 -7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.169 -7.978 -10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.730 -7.954 -10.979 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.580 -7.996 -8.011 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.646 -7.964 -9.776 1.00 0.00 H new ATOM 1449 N PHE A 87 3.638 -7.826 -5.278 1.00 0.00 N ATOM 1450 CA PHE A 87 5.079 -7.471 -5.085 1.00 0.00 C ATOM 1451 C PHE A 87 5.788 -7.492 -6.440 1.00 0.00 C ATOM 1452 O PHE A 87 6.628 -8.332 -6.690 1.00 0.00 O ATOM 1453 CB PHE A 87 5.650 -8.567 -4.172 1.00 0.00 C ATOM 1454 CG PHE A 87 4.645 -8.911 -3.098 1.00 0.00 C ATOM 1455 CD1 PHE A 87 4.638 -8.204 -1.888 1.00 0.00 C ATOM 1456 CD2 PHE A 87 3.707 -9.927 -3.320 1.00 0.00 C ATOM 1457 CE1 PHE A 87 3.693 -8.515 -0.904 1.00 0.00 C ATOM 1458 CE2 PHE A 87 2.766 -10.238 -2.334 1.00 0.00 C ATOM 1459 CZ PHE A 87 2.759 -9.531 -1.128 1.00 0.00 C ATOM 0 H PHE A 87 3.447 -8.408 -6.093 1.00 0.00 H new ATOM 0 HA PHE A 87 5.210 -6.479 -4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.888 -9.455 -4.758 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.580 -8.227 -3.717 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.361 -7.420 -1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.711 -10.470 -4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.685 -7.970 0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.045 -11.024 -2.504 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.030 -9.770 -0.368 1.00 0.00 H new ATOM 1469 N ASN A 88 5.463 -6.581 -7.326 1.00 0.00 N ATOM 1470 CA ASN A 88 6.147 -6.592 -8.653 1.00 0.00 C ATOM 1471 C ASN A 88 6.186 -5.205 -9.278 1.00 0.00 C ATOM 1472 O ASN A 88 6.105 -4.195 -8.606 1.00 0.00 O ATOM 1473 CB ASN A 88 5.358 -7.523 -9.562 1.00 0.00 C ATOM 1474 CG ASN A 88 4.657 -8.617 -8.749 1.00 0.00 C ATOM 1475 OD1 ASN A 88 3.479 -8.518 -8.466 1.00 0.00 O ATOM 1476 ND2 ASN A 88 5.336 -9.660 -8.360 1.00 0.00 N ATOM 0 H ASN A 88 4.769 -5.846 -7.191 1.00 0.00 H new ATOM 0 HA ASN A 88 7.177 -6.924 -8.524 1.00 0.00 H new ATOM 0 HB2 ASN A 88 4.619 -6.950 -10.122 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.027 -7.979 -10.291 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.879 -10.393 -7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 88 6.324 -9.743 -8.598 1.00 0.00 H new ATOM 1483 N GLY A 89 6.355 -5.155 -10.570 1.00 0.00 N ATOM 1484 CA GLY A 89 6.473 -3.843 -11.247 1.00 0.00 C ATOM 1485 C GLY A 89 7.811 -3.273 -10.793 1.00 0.00 C ATOM 1486 O GLY A 89 7.891 -2.155 -10.324 1.00 0.00 O ATOM 0 H GLY A 89 6.416 -5.968 -11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.441 -3.956 -12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.651 -3.183 -10.971 1.00 0.00 H new ATOM 1490 N PRO A 90 8.818 -4.110 -10.894 1.00 0.00 N ATOM 1491 CA PRO A 90 10.169 -3.734 -10.428 1.00 0.00 C ATOM 1492 C PRO A 90 10.794 -2.651 -11.310 1.00 0.00 C ATOM 1493 O PRO A 90 10.167 -2.112 -12.200 1.00 0.00 O ATOM 1494 CB PRO A 90 10.966 -5.035 -10.526 1.00 0.00 C ATOM 1495 CG PRO A 90 10.251 -5.839 -11.559 1.00 0.00 C ATOM 1496 CD PRO A 90 8.796 -5.468 -11.458 1.00 0.00 C ATOM 0 HA PRO A 90 10.153 -3.315 -9.422 1.00 0.00 H new ATOM 0 HB2 PRO A 90 11.999 -4.846 -10.817 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.994 -5.555 -9.569 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.638 -5.623 -12.555 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.392 -6.906 -11.386 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.310 -5.488 -12.433 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.251 -6.159 -10.815 1.00 0.00 H new ATOM 1504 N VAL A 91 12.037 -2.335 -11.061 1.00 0.00 N ATOM 1505 CA VAL A 91 12.734 -1.299 -11.860 1.00 0.00 C ATOM 1506 C VAL A 91 13.246 -1.897 -13.174 1.00 0.00 C ATOM 1507 O VAL A 91 12.857 -3.011 -13.486 1.00 0.00 O ATOM 1508 CB VAL A 91 13.898 -0.875 -10.969 1.00 0.00 C ATOM 1509 CG1 VAL A 91 13.357 -0.227 -9.694 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.731 -2.105 -10.597 1.00 0.00 C ATOM 0 H VAL A 91 12.602 -2.760 -10.326 1.00 0.00 H new ATOM 0 HA VAL A 91 12.089 -0.464 -12.133 1.00 0.00 H new ATOM 0 HB VAL A 91 14.521 -0.160 -11.505 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.189 0.075 -9.058 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.763 0.649 -9.955 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.733 -0.943 -9.159 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.563 -1.802 -9.961 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.106 -2.820 -10.062 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.118 -2.570 -11.504 1.00 0.00 H new TER 1520 VAL A 91