USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 871 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 114 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 118 GLN : amide:sc= 0.555 X(o=0.55,f=0.61) USER MOD Set 2.1: A 24 ASN : amide:sc= -0.0492 K(o=-1.3,f=-3.9!) USER MOD Set 2.2: A 107 MET CE :methyl 163:sc= -1.29 (180deg=-2.58) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0057 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc=-0.00104 X(o=-0.001,f=0) USER MOD Single : A 33 TYR OH : rot -86:sc= 0.203 USER MOD Single : A 39 GLN : amide:sc= 0.868 K(o=0.87,f=0) USER MOD Single : A 40 SER OG : rot -0:sc= 0.189 USER MOD Single : A 41 CYS SG : rot 30:sc= 0.344 USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= -0.211 (180deg=-1.47!) USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00713 USER MOD Single : A 53 GLN : amide:sc= -0.064 X(o=-0.064,f=0) USER MOD Single : A 55 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 0.0356 (180deg=0.0161) USER MOD Single : A 72 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0626 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 72:sc= 0.286 USER MOD Single : A 109 ASN : amide:sc= 0.854 K(o=0.85,f=-4.8!) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -2.711 -9.233 -10.419 1.00 75.41 N ATOM 19 CA GLY A 2 -1.323 -8.840 -10.625 1.00 2.22 C ATOM 20 C GLY A 2 -1.255 -7.532 -11.397 1.00 63.44 C ATOM 21 O GLY A 2 -0.946 -7.526 -12.593 1.00 0.23 O ATOM 0 HA2 GLY A 2 -0.823 -8.729 -9.663 1.00 2.22 H new ATOM 0 HA3 GLY A 2 -0.794 -9.621 -11.171 1.00 2.22 H new ATOM 25 N ILE A 3 -1.628 -6.436 -10.741 1.00 24.23 N ATOM 26 CA ILE A 3 -1.647 -5.087 -11.308 1.00 60.14 C ATOM 27 C ILE A 3 -0.190 -4.633 -11.534 1.00 75.15 C ATOM 28 O ILE A 3 0.728 -5.134 -10.885 1.00 22.13 O ATOM 29 CB ILE A 3 -2.442 -4.164 -10.346 1.00 15.01 C ATOM 30 CG1 ILE A 3 -3.855 -4.719 -10.070 1.00 11.21 C ATOM 31 CG2 ILE A 3 -2.542 -2.710 -10.825 1.00 21.21 C ATOM 32 CD1 ILE A 3 -4.636 -3.887 -9.051 1.00 13.43 C ATOM 0 H ILE A 3 -1.936 -6.461 -9.769 1.00 24.23 H new ATOM 0 HA ILE A 3 -2.148 -5.050 -12.276 1.00 60.14 H new ATOM 0 HB ILE A 3 -1.866 -4.156 -9.421 1.00 15.01 H new ATOM 0 HG12 ILE A 3 -4.414 -4.756 -11.005 1.00 11.21 H new ATOM 0 HG13 ILE A 3 -3.772 -5.744 -9.707 1.00 11.21 H new ATOM 0 HG21 ILE A 3 -3.111 -2.127 -10.101 1.00 21.21 H new ATOM 0 HG22 ILE A 3 -1.541 -2.290 -10.923 1.00 21.21 H new ATOM 0 HG23 ILE A 3 -3.045 -2.679 -11.792 1.00 21.21 H new ATOM 0 HD11 ILE A 3 -5.621 -4.328 -8.900 1.00 13.43 H new ATOM 0 HD12 ILE A 3 -4.096 -3.871 -8.104 1.00 13.43 H new ATOM 0 HD13 ILE A 3 -4.748 -2.868 -9.422 1.00 13.43 H new ATOM 44 N THR A 4 0.033 -3.626 -12.375 1.00 20.23 N ATOM 45 CA THR A 4 1.320 -2.955 -12.545 1.00 42.33 C ATOM 46 C THR A 4 1.305 -1.658 -11.726 1.00 3.44 C ATOM 47 O THR A 4 0.493 -0.764 -11.978 1.00 45.34 O ATOM 48 CB THR A 4 1.584 -2.724 -14.047 1.00 41.01 C ATOM 49 OG1 THR A 4 1.885 -3.968 -14.665 1.00 12.24 O ATOM 50 CG2 THR A 4 2.755 -1.775 -14.328 1.00 61.05 C ATOM 0 H THR A 4 -0.698 -3.243 -12.975 1.00 20.23 H new ATOM 0 HA THR A 4 2.142 -3.568 -12.175 1.00 42.33 H new ATOM 0 HB THR A 4 0.679 -2.267 -14.447 1.00 41.01 H new ATOM 0 HG1 THR A 4 2.052 -3.827 -15.620 1.00 12.24 H new ATOM 0 HG21 THR A 4 2.881 -1.661 -15.405 1.00 61.05 H new ATOM 0 HG22 THR A 4 2.550 -0.802 -13.881 1.00 61.05 H new ATOM 0 HG23 THR A 4 3.668 -2.187 -13.898 1.00 61.05 H new ATOM 58 N ILE A 5 2.213 -1.538 -10.754 1.00 23.13 N ATOM 59 CA ILE A 5 2.543 -0.253 -10.140 1.00 20.40 C ATOM 60 C ILE A 5 3.337 0.549 -11.166 1.00 53.02 C ATOM 61 O ILE A 5 4.099 -0.017 -11.948 1.00 63.12 O ATOM 62 CB ILE A 5 3.361 -0.458 -8.842 1.00 51.50 C ATOM 63 CG1 ILE A 5 2.629 -1.341 -7.817 1.00 13.21 C ATOM 64 CG2 ILE A 5 3.771 0.859 -8.161 1.00 33.33 C ATOM 65 CD1 ILE A 5 1.240 -0.851 -7.397 1.00 14.33 C ATOM 0 H ILE A 5 2.737 -2.326 -10.373 1.00 23.13 H new ATOM 0 HA ILE A 5 1.636 0.282 -9.860 1.00 20.40 H new ATOM 0 HB ILE A 5 4.266 -0.967 -9.174 1.00 51.50 H new ATOM 0 HG12 ILE A 5 2.531 -2.344 -8.232 1.00 13.21 H new ATOM 0 HG13 ILE A 5 3.251 -1.424 -6.926 1.00 13.21 H new ATOM 0 HG21 ILE A 5 4.341 0.640 -7.258 1.00 33.33 H new ATOM 0 HG22 ILE A 5 4.385 1.446 -8.844 1.00 33.33 H new ATOM 0 HG23 ILE A 5 2.878 1.426 -7.898 1.00 33.33 H new ATOM 0 HD11 ILE A 5 0.813 -1.545 -6.673 1.00 14.33 H new ATOM 0 HD12 ILE A 5 1.324 0.138 -6.946 1.00 14.33 H new ATOM 0 HD13 ILE A 5 0.593 -0.797 -8.273 1.00 14.33 H new ATOM 77 N THR A 6 3.200 1.866 -11.120 1.00 24.54 N ATOM 78 CA THR A 6 3.967 2.818 -11.900 1.00 3.12 C ATOM 79 C THR A 6 4.558 3.860 -10.966 1.00 30.45 C ATOM 80 O THR A 6 3.962 4.189 -9.940 1.00 13.13 O ATOM 81 CB THR A 6 3.058 3.464 -12.952 1.00 30.45 C ATOM 82 OG1 THR A 6 1.750 3.671 -12.451 1.00 1.44 O ATOM 83 CG2 THR A 6 2.908 2.519 -14.125 1.00 41.10 C ATOM 0 H THR A 6 2.519 2.318 -10.509 1.00 24.54 H new ATOM 0 HA THR A 6 4.783 2.316 -12.420 1.00 3.12 H new ATOM 0 HB THR A 6 3.512 4.414 -13.232 1.00 30.45 H new ATOM 0 HG1 THR A 6 1.196 4.086 -13.145 1.00 1.44 H new ATOM 0 HG21 THR A 6 2.262 2.972 -14.877 1.00 41.10 H new ATOM 0 HG22 THR A 6 3.888 2.320 -14.560 1.00 41.10 H new ATOM 0 HG23 THR A 6 2.466 1.583 -13.784 1.00 41.10 H new ATOM 91 N ASP A 7 5.708 4.406 -11.342 1.00 1.24 N ATOM 92 CA ASP A 7 6.398 5.447 -10.587 1.00 25.03 C ATOM 93 C ASP A 7 5.518 6.678 -10.479 1.00 10.22 C ATOM 94 O ASP A 7 5.478 7.323 -9.436 1.00 42.54 O ATOM 95 CB ASP A 7 7.714 5.822 -11.292 1.00 63.22 C ATOM 96 CG ASP A 7 8.819 4.788 -11.085 1.00 51.21 C ATOM 97 OD1 ASP A 7 8.506 3.627 -10.731 1.00 53.15 O ATOM 98 OD2 ASP A 7 10.008 5.140 -11.236 1.00 4.43 O ATOM 0 H ASP A 7 6.197 4.134 -12.195 1.00 1.24 H new ATOM 0 HA ASP A 7 6.617 5.069 -9.588 1.00 25.03 H new ATOM 0 HB2 ASP A 7 7.527 5.937 -12.360 1.00 63.22 H new ATOM 0 HB3 ASP A 7 8.055 6.789 -10.922 1.00 63.22 H new ATOM 103 N GLU A 8 4.797 6.996 -11.554 1.00 20.34 N ATOM 104 CA GLU A 8 4.064 8.253 -11.667 1.00 21.22 C ATOM 105 C GLU A 8 2.910 8.263 -10.654 1.00 41.30 C ATOM 106 O GLU A 8 2.635 9.263 -9.988 1.00 64.41 O ATOM 107 CB GLU A 8 3.547 8.366 -13.107 1.00 51.14 C ATOM 108 CG GLU A 8 4.691 8.408 -14.129 1.00 75.22 C ATOM 109 CD GLU A 8 4.202 8.759 -15.530 1.00 33.41 C ATOM 110 OE1 GLU A 8 3.172 8.201 -15.976 1.00 73.53 O ATOM 111 OE2 GLU A 8 4.859 9.592 -16.187 1.00 23.22 O ATOM 0 H GLU A 8 4.706 6.389 -12.369 1.00 20.34 H new ATOM 0 HA GLU A 8 4.705 9.107 -11.447 1.00 21.22 H new ATOM 0 HB2 GLU A 8 2.897 7.519 -13.326 1.00 51.14 H new ATOM 0 HB3 GLU A 8 2.941 9.267 -13.205 1.00 51.14 H new ATOM 0 HG2 GLU A 8 5.433 9.141 -13.811 1.00 75.22 H new ATOM 0 HG3 GLU A 8 5.190 7.439 -14.153 1.00 75.22 H new ATOM 118 N LEU A 9 2.254 7.111 -10.510 1.00 53.04 N ATOM 119 CA LEU A 9 1.186 6.826 -9.583 1.00 11.34 C ATOM 120 C LEU A 9 1.697 6.864 -8.138 1.00 24.24 C ATOM 121 O LEU A 9 0.966 7.267 -7.234 1.00 51.11 O ATOM 122 CB LEU A 9 0.682 5.447 -10.018 1.00 34.31 C ATOM 123 CG LEU A 9 -0.268 4.772 -9.044 1.00 13.22 C ATOM 124 CD1 LEU A 9 -1.576 5.545 -8.889 1.00 74.40 C ATOM 125 CD2 LEU A 9 -0.518 3.333 -9.508 1.00 72.22 C ATOM 0 H LEU A 9 2.481 6.300 -11.086 1.00 53.04 H new ATOM 0 HA LEU A 9 0.380 7.560 -9.600 1.00 11.34 H new ATOM 0 HB2 LEU A 9 0.180 5.548 -10.980 1.00 34.31 H new ATOM 0 HB3 LEU A 9 1.542 4.795 -10.174 1.00 34.31 H new ATOM 0 HG LEU A 9 0.194 4.758 -8.057 1.00 13.22 H new ATOM 0 HD11 LEU A 9 -2.224 5.025 -8.183 1.00 74.40 H new ATOM 0 HD12 LEU A 9 -1.364 6.547 -8.517 1.00 74.40 H new ATOM 0 HD13 LEU A 9 -2.074 5.615 -9.856 1.00 74.40 H new ATOM 0 HD21 LEU A 9 -1.199 2.840 -8.814 1.00 72.22 H new ATOM 0 HD22 LEU A 9 -0.960 3.344 -10.504 1.00 72.22 H new ATOM 0 HD23 LEU A 9 0.427 2.790 -9.536 1.00 72.22 H new ATOM 137 N LEU A 10 2.949 6.459 -7.896 1.00 44.15 N ATOM 138 CA LEU A 10 3.555 6.546 -6.570 1.00 4.30 C ATOM 139 C LEU A 10 3.874 8.002 -6.229 1.00 63.34 C ATOM 140 O LEU A 10 3.653 8.447 -5.101 1.00 43.15 O ATOM 141 CB LEU A 10 4.823 5.685 -6.468 1.00 40.24 C ATOM 142 CG LEU A 10 4.572 4.177 -6.631 1.00 60.24 C ATOM 143 CD1 LEU A 10 5.909 3.473 -6.852 1.00 45.21 C ATOM 144 CD2 LEU A 10 3.875 3.549 -5.422 1.00 72.22 C ATOM 0 H LEU A 10 3.563 6.066 -8.609 1.00 44.15 H new ATOM 0 HA LEU A 10 2.834 6.159 -5.850 1.00 4.30 H new ATOM 0 HB2 LEU A 10 5.532 6.009 -7.230 1.00 40.24 H new ATOM 0 HB3 LEU A 10 5.293 5.862 -5.500 1.00 40.24 H new ATOM 0 HG LEU A 10 3.908 4.052 -7.486 1.00 60.24 H new ATOM 0 HD11 LEU A 10 5.741 2.402 -6.969 1.00 45.21 H new ATOM 0 HD12 LEU A 10 6.383 3.866 -7.751 1.00 45.21 H new ATOM 0 HD13 LEU A 10 6.558 3.647 -5.994 1.00 45.21 H new ATOM 0 HD21 LEU A 10 3.727 2.484 -5.600 1.00 72.22 H new ATOM 0 HD22 LEU A 10 4.492 3.686 -4.534 1.00 72.22 H new ATOM 0 HD23 LEU A 10 2.908 4.029 -5.269 1.00 72.22 H new ATOM 156 N TRP A 11 4.400 8.739 -7.204 1.00 14.11 N ATOM 157 CA TRP A 11 4.776 10.140 -7.074 1.00 42.33 C ATOM 158 C TRP A 11 3.573 10.997 -6.701 1.00 50.23 C ATOM 159 O TRP A 11 3.695 11.806 -5.782 1.00 53.51 O ATOM 160 CB TRP A 11 5.481 10.650 -8.340 1.00 21.15 C ATOM 161 CG TRP A 11 6.960 10.417 -8.326 1.00 73.22 C ATOM 162 CD1 TRP A 11 7.663 9.608 -9.150 1.00 10.04 C ATOM 163 CD2 TRP A 11 7.934 10.986 -7.405 1.00 72.04 C ATOM 164 NE1 TRP A 11 8.996 9.619 -8.788 1.00 43.00 N ATOM 165 CE2 TRP A 11 9.219 10.453 -7.714 1.00 25.13 C ATOM 166 CE3 TRP A 11 7.849 11.890 -6.325 1.00 50.31 C ATOM 167 CZ2 TRP A 11 10.364 10.792 -6.977 1.00 51.44 C ATOM 168 CZ3 TRP A 11 8.987 12.215 -5.568 1.00 5.21 C ATOM 169 CH2 TRP A 11 10.243 11.671 -5.889 1.00 33.22 C ATOM 0 H TRP A 11 4.581 8.364 -8.135 1.00 14.11 H new ATOM 0 HA TRP A 11 5.494 10.222 -6.258 1.00 42.33 H new ATOM 0 HB2 TRP A 11 5.050 10.157 -9.212 1.00 21.15 H new ATOM 0 HB3 TRP A 11 5.289 11.717 -8.450 1.00 21.15 H new ATOM 0 HD1 TRP A 11 7.246 9.039 -9.968 1.00 10.04 H new ATOM 0 HE1 TRP A 11 9.723 9.078 -9.256 1.00 43.00 H new ATOM 0 HE3 TRP A 11 6.898 12.337 -6.077 1.00 50.31 H new ATOM 0 HZ2 TRP A 11 11.327 10.382 -7.244 1.00 51.44 H new ATOM 0 HZ3 TRP A 11 8.896 12.890 -4.730 1.00 5.21 H new ATOM 0 HH2 TRP A 11 11.111 11.928 -5.301 1.00 33.22 H new ATOM 180 N ALA A 12 2.410 10.767 -7.322 1.00 3.35 N ATOM 181 CA ALA A 12 1.160 11.434 -6.975 1.00 13.05 C ATOM 182 C ALA A 12 0.914 11.426 -5.460 1.00 23.21 C ATOM 183 O ALA A 12 0.580 12.461 -4.879 1.00 21.04 O ATOM 184 CB ALA A 12 0.003 10.761 -7.721 1.00 25.24 C ATOM 0 H ALA A 12 2.315 10.102 -8.090 1.00 3.35 H new ATOM 0 HA ALA A 12 1.228 12.479 -7.279 1.00 13.05 H new ATOM 0 HB1 ALA A 12 -0.933 11.257 -7.464 1.00 25.24 H new ATOM 0 HB2 ALA A 12 0.170 10.836 -8.795 1.00 25.24 H new ATOM 0 HB3 ALA A 12 -0.052 9.711 -7.435 1.00 25.24 H new ATOM 190 N ILE A 13 1.091 10.268 -4.816 1.00 11.43 N ATOM 191 CA ILE A 13 0.921 10.075 -3.377 1.00 5.12 C ATOM 192 C ILE A 13 1.894 10.992 -2.636 1.00 73.31 C ATOM 193 O ILE A 13 1.507 11.763 -1.760 1.00 55.12 O ATOM 194 CB ILE A 13 1.144 8.613 -2.977 1.00 43.14 C ATOM 195 CG1 ILE A 13 0.280 7.679 -3.844 1.00 51.33 C ATOM 196 CG2 ILE A 13 0.743 8.447 -1.504 1.00 21.25 C ATOM 197 CD1 ILE A 13 0.840 6.282 -3.798 1.00 45.04 C ATOM 0 H ILE A 13 1.365 9.413 -5.300 1.00 11.43 H new ATOM 0 HA ILE A 13 -0.104 10.329 -3.105 1.00 5.12 H new ATOM 0 HB ILE A 13 2.193 8.353 -3.123 1.00 43.14 H new ATOM 0 HG12 ILE A 13 -0.749 7.681 -3.484 1.00 51.33 H new ATOM 0 HG13 ILE A 13 0.258 8.039 -4.873 1.00 51.33 H new ATOM 0 HG21 ILE A 13 0.895 7.411 -1.200 1.00 21.25 H new ATOM 0 HG22 ILE A 13 1.356 9.101 -0.884 1.00 21.25 H new ATOM 0 HG23 ILE A 13 -0.307 8.711 -1.381 1.00 21.25 H new ATOM 0 HD11 ILE A 13 0.226 5.624 -4.413 1.00 45.04 H new ATOM 0 HD12 ILE A 13 1.861 6.287 -4.179 1.00 45.04 H new ATOM 0 HD13 ILE A 13 0.839 5.923 -2.769 1.00 45.04 H new ATOM 209 N LEU A 14 3.175 10.853 -2.979 1.00 22.22 N ATOM 210 CA LEU A 14 4.286 11.454 -2.255 1.00 72.13 C ATOM 211 C LEU A 14 4.244 12.967 -2.339 1.00 33.51 C ATOM 212 O LEU A 14 4.676 13.631 -1.392 1.00 62.43 O ATOM 213 CB LEU A 14 5.615 10.913 -2.800 1.00 1.14 C ATOM 214 CG LEU A 14 5.750 9.401 -2.553 1.00 12.11 C ATOM 215 CD1 LEU A 14 6.823 8.810 -3.462 1.00 61.20 C ATOM 216 CD2 LEU A 14 6.023 9.096 -1.071 1.00 34.31 C ATOM 0 H LEU A 14 3.471 10.306 -3.787 1.00 22.22 H new ATOM 0 HA LEU A 14 4.199 11.184 -1.203 1.00 72.13 H new ATOM 0 HB2 LEU A 14 5.681 11.116 -3.869 1.00 1.14 H new ATOM 0 HB3 LEU A 14 6.445 11.436 -2.325 1.00 1.14 H new ATOM 0 HG LEU A 14 4.801 8.926 -2.801 1.00 12.11 H new ATOM 0 HD11 LEU A 14 6.908 7.739 -3.276 1.00 61.20 H new ATOM 0 HD12 LEU A 14 6.550 8.977 -4.504 1.00 61.20 H new ATOM 0 HD13 LEU A 14 7.779 9.291 -3.256 1.00 61.20 H new ATOM 0 HD21 LEU A 14 6.113 8.019 -0.932 1.00 34.31 H new ATOM 0 HD22 LEU A 14 6.950 9.580 -0.765 1.00 34.31 H new ATOM 0 HD23 LEU A 14 5.200 9.473 -0.464 1.00 34.31 H new ATOM 228 N LYS A 15 3.690 13.497 -3.430 1.00 23.54 N ATOM 229 CA LYS A 15 3.268 14.873 -3.517 1.00 14.22 C ATOM 230 C LYS A 15 2.083 15.092 -2.586 1.00 72.42 C ATOM 231 O LYS A 15 2.300 15.540 -1.460 1.00 31.52 O ATOM 232 CB LYS A 15 3.006 15.261 -4.982 1.00 70.22 C ATOM 233 CG LYS A 15 4.273 15.194 -5.855 1.00 42.25 C ATOM 234 CD LYS A 15 5.394 16.079 -5.300 1.00 23.23 C ATOM 235 CE LYS A 15 6.472 16.353 -6.344 1.00 43.31 C ATOM 236 NZ LYS A 15 7.646 17.007 -5.734 1.00 3.32 N ATOM 0 H LYS A 15 3.525 12.965 -4.284 1.00 23.54 H new ATOM 0 HA LYS A 15 4.057 15.545 -3.179 1.00 14.22 H new ATOM 0 HB2 LYS A 15 2.248 14.597 -5.399 1.00 70.22 H new ATOM 0 HB3 LYS A 15 2.599 16.272 -5.018 1.00 70.22 H new ATOM 0 HG2 LYS A 15 4.620 14.162 -5.914 1.00 42.25 H new ATOM 0 HG3 LYS A 15 4.032 15.507 -6.871 1.00 42.25 H new ATOM 0 HD2 LYS A 15 4.974 17.024 -4.956 1.00 23.23 H new ATOM 0 HD3 LYS A 15 5.843 15.595 -4.433 1.00 23.23 H new ATOM 0 HE2 LYS A 15 6.776 15.417 -6.813 1.00 43.31 H new ATOM 0 HE3 LYS A 15 6.067 16.987 -7.132 1.00 43.31 H new ATOM 0 HZ1 LYS A 15 8.365 17.182 -6.465 1.00 3.32 H new ATOM 0 HZ2 LYS A 15 7.358 17.911 -5.308 1.00 3.32 H new ATOM 0 HZ3 LYS A 15 8.044 16.389 -4.998 1.00 3.32 H new ATOM 250 N ASP A 16 0.850 14.818 -3.020 1.00 23.51 N ATOM 251 CA ASP A 16 -0.363 15.128 -2.246 1.00 63.50 C ATOM 252 C ASP A 16 -1.656 14.656 -2.934 1.00 64.11 C ATOM 253 O ASP A 16 -2.730 14.767 -2.350 1.00 64.32 O ATOM 254 CB ASP A 16 -0.484 16.657 -2.057 1.00 44.02 C ATOM 255 CG ASP A 16 -1.296 17.041 -0.819 1.00 51.22 C ATOM 256 OD1 ASP A 16 -0.765 16.915 0.309 1.00 24.52 O ATOM 257 OD2 ASP A 16 -2.433 17.545 -0.942 1.00 43.45 O ATOM 0 H ASP A 16 0.660 14.374 -3.919 1.00 23.51 H new ATOM 0 HA ASP A 16 -0.258 14.602 -1.297 1.00 63.50 H new ATOM 0 HB2 ASP A 16 0.514 17.089 -1.979 1.00 44.02 H new ATOM 0 HB3 ASP A 16 -0.951 17.092 -2.941 1.00 44.02 H new ATOM 262 N GLU A 17 -1.587 14.190 -4.185 1.00 51.10 N ATOM 263 CA GLU A 17 -2.697 14.158 -5.131 1.00 41.41 C ATOM 264 C GLU A 17 -3.717 13.070 -4.793 1.00 72.14 C ATOM 265 O GLU A 17 -4.898 13.233 -5.089 1.00 55.51 O ATOM 266 CB GLU A 17 -2.066 14.014 -6.529 1.00 63.10 C ATOM 267 CG GLU A 17 -2.936 13.370 -7.606 1.00 43.40 C ATOM 268 CD GLU A 17 -4.239 14.100 -7.954 1.00 44.24 C ATOM 269 OE1 GLU A 17 -4.359 15.310 -7.641 1.00 71.32 O ATOM 270 OE2 GLU A 17 -5.102 13.444 -8.583 1.00 41.22 O ATOM 0 H GLU A 17 -0.724 13.812 -4.577 1.00 51.10 H new ATOM 0 HA GLU A 17 -3.286 15.074 -5.087 1.00 41.41 H new ATOM 0 HB2 GLU A 17 -1.773 15.005 -6.875 1.00 63.10 H new ATOM 0 HB3 GLU A 17 -1.153 13.427 -6.432 1.00 63.10 H new ATOM 0 HG2 GLU A 17 -2.342 13.278 -8.515 1.00 43.40 H new ATOM 0 HG3 GLU A 17 -3.186 12.359 -7.285 1.00 43.40 H new ATOM 277 N LEU A 18 -3.289 11.972 -4.162 1.00 32.12 N ATOM 278 CA LEU A 18 -4.236 10.933 -3.770 1.00 51.11 C ATOM 279 C LEU A 18 -5.230 11.494 -2.775 1.00 74.33 C ATOM 280 O LEU A 18 -4.903 12.408 -2.010 1.00 54.10 O ATOM 281 CB LEU A 18 -3.543 9.722 -3.135 1.00 54.44 C ATOM 282 CG LEU A 18 -3.520 8.501 -4.065 1.00 31.32 C ATOM 283 CD1 LEU A 18 -4.921 7.978 -4.376 1.00 35.11 C ATOM 284 CD2 LEU A 18 -2.707 8.738 -5.344 1.00 31.03 C ATOM 0 H LEU A 18 -2.316 11.785 -3.918 1.00 32.12 H new ATOM 0 HA LEU A 18 -4.739 10.602 -4.679 1.00 51.11 H new ATOM 0 HB2 LEU A 18 -2.521 9.991 -2.869 1.00 54.44 H new ATOM 0 HB3 LEU A 18 -4.055 9.459 -2.209 1.00 54.44 H new ATOM 0 HG LEU A 18 -3.002 7.719 -3.510 1.00 31.32 H new ATOM 0 HD11 LEU A 18 -4.849 7.114 -5.037 1.00 35.11 H new ATOM 0 HD12 LEU A 18 -5.414 7.685 -3.449 1.00 35.11 H new ATOM 0 HD13 LEU A 18 -5.502 8.761 -4.864 1.00 35.11 H new ATOM 0 HD21 LEU A 18 -2.728 7.839 -5.960 1.00 31.03 H new ATOM 0 HD22 LEU A 18 -3.139 9.570 -5.901 1.00 31.03 H new ATOM 0 HD23 LEU A 18 -1.676 8.973 -5.081 1.00 31.03 H new ATOM 296 N SER A 19 -6.385 10.846 -2.687 1.00 75.35 N ATOM 297 CA SER A 19 -7.328 11.100 -1.607 1.00 71.01 C ATOM 298 C SER A 19 -7.123 10.079 -0.491 1.00 24.41 C ATOM 299 O SER A 19 -6.250 9.217 -0.609 1.00 24.32 O ATOM 300 CB SER A 19 -8.779 11.199 -2.106 1.00 3.12 C ATOM 301 OG SER A 19 -9.454 12.104 -1.253 1.00 12.22 O ATOM 0 H SER A 19 -6.691 10.138 -3.354 1.00 75.35 H new ATOM 0 HA SER A 19 -7.124 12.084 -1.184 1.00 71.01 H new ATOM 0 HB2 SER A 19 -8.808 11.549 -3.138 1.00 3.12 H new ATOM 0 HB3 SER A 19 -9.260 10.221 -2.087 1.00 3.12 H new ATOM 0 HG SER A 19 -10.386 12.194 -1.543 1.00 12.22 H new ATOM 307 N ASP A 20 -7.858 10.180 0.620 1.00 40.33 N ATOM 308 CA ASP A 20 -7.658 9.300 1.773 1.00 10.21 C ATOM 309 C ASP A 20 -8.159 7.901 1.392 1.00 22.40 C ATOM 310 O ASP A 20 -7.385 6.938 1.386 1.00 63.42 O ATOM 311 CB ASP A 20 -8.346 9.829 3.049 1.00 35.40 C ATOM 312 CG ASP A 20 -9.871 9.849 3.017 1.00 74.42 C ATOM 313 OD1 ASP A 20 -10.470 10.788 2.456 1.00 64.01 O ATOM 314 OD2 ASP A 20 -10.482 8.893 3.550 1.00 12.22 O ATOM 0 H ASP A 20 -8.601 10.867 0.745 1.00 40.33 H new ATOM 0 HA ASP A 20 -6.596 9.263 2.017 1.00 10.21 H new ATOM 0 HB2 ASP A 20 -8.026 9.217 3.893 1.00 35.40 H new ATOM 0 HB3 ASP A 20 -7.991 10.842 3.238 1.00 35.40 H new ATOM 319 N ALA A 21 -9.430 7.808 0.985 1.00 24.14 N ATOM 320 CA ALA A 21 -10.084 6.570 0.589 1.00 75.10 C ATOM 321 C ALA A 21 -9.477 6.018 -0.698 1.00 60.44 C ATOM 322 O ALA A 21 -9.504 4.816 -0.947 1.00 30.23 O ATOM 323 CB ALA A 21 -11.579 6.842 0.374 1.00 44.20 C ATOM 0 H ALA A 21 -10.044 8.620 0.923 1.00 24.14 H new ATOM 0 HA ALA A 21 -9.943 5.831 1.378 1.00 75.10 H new ATOM 0 HB1 ALA A 21 -12.078 5.919 0.077 1.00 44.20 H new ATOM 0 HB2 ALA A 21 -12.019 7.210 1.301 1.00 44.20 H new ATOM 0 HB3 ALA A 21 -11.704 7.590 -0.409 1.00 44.20 H new ATOM 329 N GLU A 22 -8.929 6.895 -1.537 1.00 21.23 N ATOM 330 CA GLU A 22 -8.297 6.526 -2.793 1.00 53.44 C ATOM 331 C GLU A 22 -6.895 5.959 -2.549 1.00 21.02 C ATOM 332 O GLU A 22 -6.491 4.982 -3.178 1.00 51.24 O ATOM 333 CB GLU A 22 -8.265 7.762 -3.694 1.00 62.32 C ATOM 334 CG GLU A 22 -9.665 8.128 -4.194 1.00 2.22 C ATOM 335 CD GLU A 22 -9.602 8.838 -5.540 1.00 32.11 C ATOM 336 OE1 GLU A 22 -9.578 8.125 -6.566 1.00 51.23 O ATOM 337 OE2 GLU A 22 -9.590 10.094 -5.564 1.00 71.42 O ATOM 0 H GLU A 22 -8.914 7.899 -1.356 1.00 21.23 H new ATOM 0 HA GLU A 22 -8.867 5.739 -3.287 1.00 53.44 H new ATOM 0 HB2 GLU A 22 -7.842 8.603 -3.145 1.00 62.32 H new ATOM 0 HB3 GLU A 22 -7.610 7.576 -4.545 1.00 62.32 H new ATOM 0 HG2 GLU A 22 -10.269 7.225 -4.284 1.00 2.22 H new ATOM 0 HG3 GLU A 22 -10.158 8.770 -3.464 1.00 2.22 H new ATOM 344 N ALA A 23 -6.142 6.526 -1.601 1.00 60.40 N ATOM 345 CA ALA A 23 -4.854 5.978 -1.218 1.00 41.52 C ATOM 346 C ALA A 23 -5.007 4.566 -0.656 1.00 44.12 C ATOM 347 O ALA A 23 -4.170 3.707 -0.935 1.00 62.53 O ATOM 348 CB ALA A 23 -4.185 6.901 -0.204 1.00 14.14 C ATOM 0 H ALA A 23 -6.411 7.366 -1.089 1.00 60.40 H new ATOM 0 HA ALA A 23 -4.221 5.911 -2.103 1.00 41.52 H new ATOM 0 HB1 ALA A 23 -3.218 6.487 0.082 1.00 14.14 H new ATOM 0 HB2 ALA A 23 -4.041 7.886 -0.648 1.00 14.14 H new ATOM 0 HB3 ALA A 23 -4.817 6.990 0.679 1.00 14.14 H new ATOM 354 N ASN A 24 -6.073 4.354 0.115 1.00 23.50 N ATOM 355 CA ASN A 24 -6.503 3.038 0.585 1.00 1.33 C ATOM 356 C ASN A 24 -6.808 2.173 -0.635 1.00 2.02 C ATOM 357 O ASN A 24 -6.173 1.132 -0.801 1.00 72.31 O ATOM 358 CB ASN A 24 -7.723 3.117 1.528 1.00 13.00 C ATOM 359 CG ASN A 24 -7.409 3.421 2.991 1.00 31.01 C ATOM 360 OD1 ASN A 24 -6.256 3.378 3.429 1.00 14.30 O ATOM 361 ND2 ASN A 24 -8.420 3.763 3.772 1.00 62.12 N ATOM 0 H ASN A 24 -6.676 5.111 0.438 1.00 23.50 H new ATOM 0 HA ASN A 24 -5.700 2.594 1.174 1.00 1.33 H new ATOM 0 HB2 ASN A 24 -8.400 3.885 1.153 1.00 13.00 H new ATOM 0 HB3 ASN A 24 -8.259 2.169 1.480 1.00 13.00 H new ATOM 0 HD21 ASN A 24 -8.252 3.996 4.751 1.00 62.12 H new ATOM 0 HD22 ASN A 24 -9.367 3.794 3.396 1.00 62.12 H new ATOM 368 N ALA A 25 -7.720 2.633 -1.501 1.00 14.10 N ATOM 369 CA ALA A 25 -8.191 1.926 -2.685 1.00 65.11 C ATOM 370 C ALA A 25 -7.037 1.348 -3.492 1.00 40.23 C ATOM 371 O ALA A 25 -7.052 0.154 -3.766 1.00 72.20 O ATOM 372 CB ALA A 25 -9.045 2.825 -3.582 1.00 43.34 C ATOM 0 H ALA A 25 -8.164 3.544 -1.386 1.00 14.10 H new ATOM 0 HA ALA A 25 -8.811 1.105 -2.325 1.00 65.11 H new ATOM 0 HB1 ALA A 25 -9.376 2.260 -4.453 1.00 43.34 H new ATOM 0 HB2 ALA A 25 -9.914 3.175 -3.025 1.00 43.34 H new ATOM 0 HB3 ALA A 25 -8.454 3.681 -3.908 1.00 43.34 H new ATOM 378 N LEU A 26 -6.027 2.147 -3.862 1.00 70.11 N ATOM 379 CA LEU A 26 -4.921 1.666 -4.689 1.00 61.01 C ATOM 380 C LEU A 26 -4.129 0.515 -4.052 1.00 33.20 C ATOM 381 O LEU A 26 -3.537 -0.286 -4.771 1.00 20.43 O ATOM 382 CB LEU A 26 -3.970 2.826 -4.975 1.00 44.33 C ATOM 383 CG LEU A 26 -4.517 3.910 -5.919 1.00 11.11 C ATOM 384 CD1 LEU A 26 -3.479 5.032 -5.982 1.00 12.12 C ATOM 385 CD2 LEU A 26 -4.784 3.372 -7.328 1.00 52.13 C ATOM 0 H LEU A 26 -5.957 3.130 -3.599 1.00 70.11 H new ATOM 0 HA LEU A 26 -5.363 1.274 -5.605 1.00 61.01 H new ATOM 0 HB2 LEU A 26 -3.701 3.295 -4.028 1.00 44.33 H new ATOM 0 HB3 LEU A 26 -3.052 2.424 -5.404 1.00 44.33 H new ATOM 0 HG LEU A 26 -5.472 4.268 -5.533 1.00 11.11 H new ATOM 0 HD11 LEU A 26 -3.835 5.820 -6.645 1.00 12.12 H new ATOM 0 HD12 LEU A 26 -3.323 5.440 -4.983 1.00 12.12 H new ATOM 0 HD13 LEU A 26 -2.538 4.636 -6.363 1.00 12.12 H new ATOM 0 HD21 LEU A 26 -5.169 4.175 -7.957 1.00 52.13 H new ATOM 0 HD22 LEU A 26 -3.856 2.991 -7.754 1.00 52.13 H new ATOM 0 HD23 LEU A 26 -5.517 2.567 -7.277 1.00 52.13 H new ATOM 397 N VAL A 27 -4.101 0.387 -2.726 1.00 1.55 N ATOM 398 CA VAL A 27 -3.503 -0.781 -2.079 1.00 72.44 C ATOM 399 C VAL A 27 -4.507 -1.931 -2.100 1.00 71.22 C ATOM 400 O VAL A 27 -4.138 -3.080 -2.348 1.00 64.35 O ATOM 401 CB VAL A 27 -3.063 -0.420 -0.651 1.00 74.13 C ATOM 402 CG1 VAL A 27 -2.437 -1.604 0.100 1.00 14.43 C ATOM 403 CG2 VAL A 27 -2.028 0.706 -0.707 1.00 2.33 C ATOM 0 H VAL A 27 -4.485 1.076 -2.079 1.00 1.55 H new ATOM 0 HA VAL A 27 -2.612 -1.101 -2.619 1.00 72.44 H new ATOM 0 HB VAL A 27 -3.962 -0.116 -0.114 1.00 74.13 H new ATOM 0 HG11 VAL A 27 -2.147 -1.287 1.102 1.00 14.43 H new ATOM 0 HG12 VAL A 27 -3.163 -2.414 0.172 1.00 14.43 H new ATOM 0 HG13 VAL A 27 -1.556 -1.953 -0.440 1.00 14.43 H new ATOM 0 HG21 VAL A 27 -1.715 0.963 0.305 1.00 2.33 H new ATOM 0 HG22 VAL A 27 -1.163 0.376 -1.282 1.00 2.33 H new ATOM 0 HG23 VAL A 27 -2.468 1.582 -1.184 1.00 2.33 H new ATOM 413 N TRP A 28 -5.778 -1.636 -1.835 1.00 64.43 N ATOM 414 CA TRP A 28 -6.839 -2.621 -1.767 1.00 1.03 C ATOM 415 C TRP A 28 -7.008 -3.338 -3.103 1.00 4.02 C ATOM 416 O TRP A 28 -7.070 -4.566 -3.087 1.00 42.35 O ATOM 417 CB TRP A 28 -8.117 -1.947 -1.266 1.00 41.31 C ATOM 418 CG TRP A 28 -8.048 -1.384 0.128 1.00 22.25 C ATOM 419 CD1 TRP A 28 -7.014 -1.500 1.000 1.00 55.12 C ATOM 420 CD2 TRP A 28 -9.077 -0.638 0.844 1.00 5.13 C ATOM 421 NE1 TRP A 28 -7.331 -0.876 2.186 1.00 75.34 N ATOM 422 CE2 TRP A 28 -8.598 -0.353 2.155 1.00 51.40 C ATOM 423 CE3 TRP A 28 -10.380 -0.201 0.538 1.00 42.41 C ATOM 424 CZ2 TRP A 28 -9.375 0.299 3.118 1.00 21.23 C ATOM 425 CZ3 TRP A 28 -11.160 0.486 1.488 1.00 64.32 C ATOM 426 CH2 TRP A 28 -10.663 0.733 2.780 1.00 62.11 C ATOM 0 H TRP A 28 -6.099 -0.684 -1.659 1.00 64.43 H new ATOM 0 HA TRP A 28 -6.581 -3.402 -1.052 1.00 1.03 H new ATOM 0 HB2 TRP A 28 -8.375 -1.141 -1.953 1.00 41.31 H new ATOM 0 HB3 TRP A 28 -8.930 -2.672 -1.306 1.00 41.31 H new ATOM 0 HD1 TRP A 28 -6.082 -2.006 0.794 1.00 55.12 H new ATOM 0 HE1 TRP A 28 -6.702 -0.811 2.987 1.00 75.34 H new ATOM 0 HE3 TRP A 28 -10.788 -0.396 -0.443 1.00 42.41 H new ATOM 0 HZ2 TRP A 28 -8.986 0.466 4.112 1.00 21.23 H new ATOM 0 HZ3 TRP A 28 -12.150 0.827 1.222 1.00 64.32 H new ATOM 0 HH2 TRP A 28 -11.270 1.253 3.506 1.00 62.11 H new ATOM 437 N GLN A 29 -6.968 -2.634 -4.239 1.00 51.12 N ATOM 438 CA GLN A 29 -6.993 -3.247 -5.567 1.00 23.03 C ATOM 439 C GLN A 29 -5.839 -4.246 -5.742 1.00 44.23 C ATOM 440 O GLN A 29 -6.045 -5.331 -6.285 1.00 53.24 O ATOM 441 CB GLN A 29 -7.002 -2.182 -6.684 1.00 60.24 C ATOM 442 CG GLN A 29 -5.869 -1.169 -6.616 1.00 61.51 C ATOM 443 CD GLN A 29 -5.545 -0.453 -7.922 1.00 45.02 C ATOM 444 OE1 GLN A 29 -4.379 -0.275 -8.276 1.00 51.21 O ATOM 445 NE2 GLN A 29 -6.531 -0.019 -8.675 1.00 54.43 N ATOM 0 H GLN A 29 -6.917 -1.616 -4.261 1.00 51.12 H new ATOM 0 HA GLN A 29 -7.924 -3.807 -5.653 1.00 23.03 H new ATOM 0 HB2 GLN A 29 -6.959 -2.688 -7.648 1.00 60.24 H new ATOM 0 HB3 GLN A 29 -7.951 -1.647 -6.647 1.00 60.24 H new ATOM 0 HG2 GLN A 29 -6.120 -0.420 -5.865 1.00 61.51 H new ATOM 0 HG3 GLN A 29 -4.970 -1.679 -6.270 1.00 61.51 H new ATOM 0 HE21 GLN A 29 -7.498 -0.165 -8.384 1.00 54.43 H new ATOM 0 HE22 GLN A 29 -6.330 0.464 -9.551 1.00 54.43 H new ATOM 454 N ALA A 30 -4.629 -3.878 -5.304 1.00 24.04 N ATOM 455 CA ALA A 30 -3.403 -4.638 -5.515 1.00 24.32 C ATOM 456 C ALA A 30 -3.358 -5.889 -4.640 1.00 43.21 C ATOM 457 O ALA A 30 -2.843 -6.917 -5.087 1.00 15.12 O ATOM 458 CB ALA A 30 -2.188 -3.742 -5.239 1.00 41.42 C ATOM 0 H ALA A 30 -4.477 -3.017 -4.778 1.00 24.04 H new ATOM 0 HA ALA A 30 -3.380 -4.969 -6.553 1.00 24.32 H new ATOM 0 HB1 ALA A 30 -1.272 -4.312 -5.397 1.00 41.42 H new ATOM 0 HB2 ALA A 30 -2.205 -2.887 -5.915 1.00 41.42 H new ATOM 0 HB3 ALA A 30 -2.222 -3.390 -4.208 1.00 41.42 H new ATOM 464 N LEU A 31 -3.876 -5.799 -3.413 1.00 71.01 N ATOM 465 CA LEU A 31 -4.105 -6.939 -2.535 1.00 1.15 C ATOM 466 C LEU A 31 -5.193 -7.821 -3.139 1.00 71.35 C ATOM 467 O LEU A 31 -4.976 -9.019 -3.304 1.00 13.03 O ATOM 468 CB LEU A 31 -4.507 -6.459 -1.130 1.00 1.21 C ATOM 469 CG LEU A 31 -3.339 -5.907 -0.288 1.00 55.31 C ATOM 470 CD1 LEU A 31 -3.891 -5.186 0.946 1.00 23.21 C ATOM 471 CD2 LEU A 31 -2.404 -7.028 0.174 1.00 2.44 C ATOM 0 H LEU A 31 -4.153 -4.910 -2.997 1.00 71.01 H new ATOM 0 HA LEU A 31 -3.187 -7.519 -2.439 1.00 1.15 H new ATOM 0 HB2 LEU A 31 -5.267 -5.684 -1.228 1.00 1.21 H new ATOM 0 HB3 LEU A 31 -4.966 -7.289 -0.593 1.00 1.21 H new ATOM 0 HG LEU A 31 -2.774 -5.216 -0.914 1.00 55.31 H new ATOM 0 HD11 LEU A 31 -3.064 -4.797 1.540 1.00 23.21 H new ATOM 0 HD12 LEU A 31 -4.531 -4.362 0.630 1.00 23.21 H new ATOM 0 HD13 LEU A 31 -4.471 -5.886 1.547 1.00 23.21 H new ATOM 0 HD21 LEU A 31 -1.592 -6.604 0.765 1.00 2.44 H new ATOM 0 HD22 LEU A 31 -2.962 -7.740 0.782 1.00 2.44 H new ATOM 0 HD23 LEU A 31 -1.991 -7.539 -0.696 1.00 2.44 H new ATOM 483 N GLY A 32 -6.351 -7.226 -3.443 1.00 22.11 N ATOM 484 CA GLY A 32 -7.550 -7.858 -3.980 1.00 0.14 C ATOM 485 C GLY A 32 -8.820 -7.564 -3.163 1.00 74.33 C ATOM 486 O GLY A 32 -9.859 -8.179 -3.415 1.00 40.53 O ATOM 0 H GLY A 32 -6.479 -6.223 -3.310 1.00 22.11 H new ATOM 0 HA2 GLY A 32 -7.701 -7.519 -5.005 1.00 0.14 H new ATOM 0 HA3 GLY A 32 -7.395 -8.936 -4.020 1.00 0.14 H new ATOM 490 N TYR A 33 -8.773 -6.645 -2.189 1.00 30.03 N ATOM 491 CA TYR A 33 -9.915 -6.150 -1.408 1.00 34.50 C ATOM 492 C TYR A 33 -10.745 -5.140 -2.222 1.00 21.40 C ATOM 493 O TYR A 33 -11.049 -4.032 -1.778 1.00 0.14 O ATOM 494 CB TYR A 33 -9.434 -5.518 -0.094 1.00 51.33 C ATOM 495 CG TYR A 33 -8.847 -6.482 0.910 1.00 42.42 C ATOM 496 CD1 TYR A 33 -9.691 -7.163 1.804 1.00 62.23 C ATOM 497 CD2 TYR A 33 -7.457 -6.668 0.976 1.00 2.45 C ATOM 498 CE1 TYR A 33 -9.153 -8.039 2.760 1.00 52.44 C ATOM 499 CE2 TYR A 33 -6.908 -7.556 1.914 1.00 50.40 C ATOM 500 CZ TYR A 33 -7.757 -8.242 2.808 1.00 21.43 C ATOM 501 OH TYR A 33 -7.214 -9.094 3.711 1.00 43.43 O ATOM 0 H TYR A 33 -7.896 -6.205 -1.911 1.00 30.03 H new ATOM 0 HA TYR A 33 -10.556 -6.999 -1.171 1.00 34.50 H new ATOM 0 HB2 TYR A 33 -8.685 -4.761 -0.327 1.00 51.33 H new ATOM 0 HB3 TYR A 33 -10.274 -5.002 0.371 1.00 51.33 H new ATOM 0 HD1 TYR A 33 -10.759 -7.012 1.755 1.00 62.23 H new ATOM 0 HD2 TYR A 33 -6.809 -6.126 0.303 1.00 2.45 H new ATOM 0 HE1 TYR A 33 -9.802 -8.553 3.453 1.00 52.44 H new ATOM 0 HE2 TYR A 33 -5.840 -7.714 1.951 1.00 50.40 H new ATOM 0 HH TYR A 33 -7.060 -8.621 4.555 1.00 43.43 H new ATOM 511 N VAL A 34 -11.087 -5.506 -3.449 1.00 25.21 N ATOM 512 CA VAL A 34 -11.953 -4.717 -4.308 1.00 11.53 C ATOM 513 C VAL A 34 -13.375 -4.714 -3.721 1.00 12.12 C ATOM 514 O VAL A 34 -13.864 -5.748 -3.245 1.00 75.42 O ATOM 515 CB VAL A 34 -11.823 -5.230 -5.758 1.00 1.30 C ATOM 516 CG1 VAL A 34 -11.900 -6.761 -5.862 1.00 53.32 C ATOM 517 CG2 VAL A 34 -12.837 -4.606 -6.719 1.00 74.15 C ATOM 0 H VAL A 34 -10.765 -6.372 -3.880 1.00 25.21 H new ATOM 0 HA VAL A 34 -11.660 -3.668 -4.348 1.00 11.53 H new ATOM 0 HB VAL A 34 -10.827 -4.910 -6.063 1.00 1.30 H new ATOM 0 HG11 VAL A 34 -11.802 -7.060 -6.906 1.00 53.32 H new ATOM 0 HG12 VAL A 34 -11.093 -7.206 -5.280 1.00 53.32 H new ATOM 0 HG13 VAL A 34 -12.859 -7.104 -5.474 1.00 53.32 H new ATOM 0 HG21 VAL A 34 -12.688 -5.012 -7.719 1.00 74.15 H new ATOM 0 HG22 VAL A 34 -13.848 -4.836 -6.381 1.00 74.15 H new ATOM 0 HG23 VAL A 34 -12.699 -3.525 -6.742 1.00 74.15 H new ATOM 527 N TRP A 35 -14.030 -3.551 -3.744 1.00 54.43 N ATOM 528 CA TRP A 35 -15.456 -3.408 -3.468 1.00 63.12 C ATOM 529 C TRP A 35 -16.235 -3.851 -4.701 1.00 15.14 C ATOM 530 O TRP A 35 -15.794 -3.651 -5.835 1.00 11.13 O ATOM 531 CB TRP A 35 -15.768 -1.937 -3.172 1.00 14.51 C ATOM 532 CG TRP A 35 -17.204 -1.572 -2.943 1.00 73.32 C ATOM 533 CD1 TRP A 35 -17.979 -0.906 -3.826 1.00 51.25 C ATOM 534 CD2 TRP A 35 -18.051 -1.805 -1.772 1.00 2.00 C ATOM 535 NE1 TRP A 35 -19.219 -0.678 -3.280 1.00 15.22 N ATOM 536 CE2 TRP A 35 -19.330 -1.225 -2.026 1.00 44.00 C ATOM 537 CE3 TRP A 35 -17.881 -2.430 -0.515 1.00 64.13 C ATOM 538 CZ2 TRP A 35 -20.379 -1.268 -1.101 1.00 14.30 C ATOM 539 CZ3 TRP A 35 -18.936 -2.502 0.414 1.00 21.54 C ATOM 540 CH2 TRP A 35 -20.184 -1.926 0.121 1.00 2.10 C ATOM 0 H TRP A 35 -13.572 -2.666 -3.960 1.00 54.43 H new ATOM 0 HA TRP A 35 -15.736 -4.018 -2.609 1.00 63.12 H new ATOM 0 HB2 TRP A 35 -15.200 -1.643 -2.289 1.00 14.51 H new ATOM 0 HB3 TRP A 35 -15.396 -1.339 -4.004 1.00 14.51 H new ATOM 0 HD1 TRP A 35 -17.670 -0.598 -4.814 1.00 51.25 H new ATOM 0 HE1 TRP A 35 -19.966 -0.165 -3.749 1.00 15.22 H new ATOM 0 HE3 TRP A 35 -16.923 -2.860 -0.263 1.00 64.13 H new ATOM 0 HZ2 TRP A 35 -21.326 -0.800 -1.326 1.00 14.30 H new ATOM 0 HZ3 TRP A 35 -18.785 -3.003 1.359 1.00 21.54 H new ATOM 0 HH2 TRP A 35 -20.991 -1.990 0.836 1.00 2.10 H new ATOM 551 N ASP A 36 -17.423 -4.405 -4.502 1.00 24.03 N ATOM 552 CA ASP A 36 -18.417 -4.583 -5.553 1.00 65.34 C ATOM 553 C ASP A 36 -19.637 -3.774 -5.171 1.00 52.01 C ATOM 554 O ASP A 36 -20.434 -4.209 -4.347 1.00 62.44 O ATOM 555 CB ASP A 36 -18.786 -6.064 -5.796 1.00 25.21 C ATOM 556 CG ASP A 36 -18.364 -6.599 -7.161 1.00 12.42 C ATOM 557 OD1 ASP A 36 -18.049 -5.833 -8.088 1.00 31.41 O ATOM 558 OD2 ASP A 36 -18.242 -7.840 -7.311 1.00 55.11 O ATOM 0 H ASP A 36 -17.729 -4.749 -3.592 1.00 24.03 H new ATOM 0 HA ASP A 36 -17.997 -4.235 -6.497 1.00 65.34 H new ATOM 0 HB2 ASP A 36 -18.323 -6.674 -5.020 1.00 25.21 H new ATOM 0 HB3 ASP A 36 -19.865 -6.180 -5.691 1.00 25.21 H new ATOM 563 N GLU A 37 -19.830 -2.620 -5.804 1.00 41.43 N ATOM 564 CA GLU A 37 -21.083 -1.859 -5.757 1.00 53.42 C ATOM 565 C GLU A 37 -22.257 -2.730 -6.221 1.00 45.54 C ATOM 566 O GLU A 37 -23.395 -2.541 -5.808 1.00 65.34 O ATOM 567 CB GLU A 37 -20.892 -0.662 -6.691 1.00 63.12 C ATOM 568 CG GLU A 37 -22.114 0.197 -7.020 1.00 24.43 C ATOM 569 CD GLU A 37 -21.688 1.217 -8.071 1.00 20.31 C ATOM 570 OE1 GLU A 37 -21.751 0.892 -9.284 1.00 0.11 O ATOM 571 OE2 GLU A 37 -21.190 2.297 -7.693 1.00 52.51 O ATOM 0 H GLU A 37 -19.110 -2.177 -6.375 1.00 41.43 H new ATOM 0 HA GLU A 37 -21.312 -1.532 -4.743 1.00 53.42 H new ATOM 0 HB2 GLU A 37 -20.136 -0.012 -6.250 1.00 63.12 H new ATOM 0 HB3 GLU A 37 -20.483 -1.034 -7.630 1.00 63.12 H new ATOM 0 HG2 GLU A 37 -22.928 -0.423 -7.395 1.00 24.43 H new ATOM 0 HG3 GLU A 37 -22.482 0.699 -6.125 1.00 24.43 H new ATOM 578 N ALA A 38 -21.961 -3.709 -7.074 1.00 3.34 N ATOM 579 CA ALA A 38 -22.890 -4.670 -7.626 1.00 60.25 C ATOM 580 C ALA A 38 -23.279 -5.772 -6.636 1.00 40.00 C ATOM 581 O ALA A 38 -24.133 -6.588 -6.972 1.00 42.23 O ATOM 582 CB ALA A 38 -22.194 -5.304 -8.820 1.00 63.03 C ATOM 0 H ALA A 38 -21.010 -3.854 -7.412 1.00 3.34 H new ATOM 0 HA ALA A 38 -23.813 -4.155 -7.891 1.00 60.25 H new ATOM 0 HB1 ALA A 38 -22.854 -6.041 -9.277 1.00 63.03 H new ATOM 0 HB2 ALA A 38 -21.950 -4.533 -9.551 1.00 63.03 H new ATOM 0 HB3 ALA A 38 -21.278 -5.793 -8.490 1.00 63.03 H new ATOM 588 N GLN A 39 -22.628 -5.846 -5.472 1.00 43.14 N ATOM 589 CA GLN A 39 -22.895 -6.807 -4.403 1.00 64.04 C ATOM 590 C GLN A 39 -22.968 -6.123 -3.028 1.00 43.15 C ATOM 591 O GLN A 39 -23.178 -6.789 -2.017 1.00 75.24 O ATOM 592 CB GLN A 39 -21.813 -7.896 -4.386 1.00 44.54 C ATOM 593 CG GLN A 39 -21.790 -8.731 -5.665 1.00 61.33 C ATOM 594 CD GLN A 39 -20.921 -9.967 -5.498 1.00 74.25 C ATOM 595 OE1 GLN A 39 -21.357 -10.972 -4.938 1.00 40.51 O ATOM 596 NE2 GLN A 39 -19.673 -9.907 -5.920 1.00 44.43 N ATOM 0 H GLN A 39 -21.867 -5.208 -5.241 1.00 43.14 H new ATOM 0 HA GLN A 39 -23.865 -7.261 -4.604 1.00 64.04 H new ATOM 0 HB2 GLN A 39 -20.838 -7.430 -4.245 1.00 44.54 H new ATOM 0 HB3 GLN A 39 -21.979 -8.553 -3.532 1.00 44.54 H new ATOM 0 HG2 GLN A 39 -22.805 -9.029 -5.926 1.00 61.33 H new ATOM 0 HG3 GLN A 39 -21.413 -8.127 -6.490 1.00 61.33 H new ATOM 0 HE21 GLN A 39 -19.331 -9.064 -6.382 1.00 44.43 H new ATOM 0 HE22 GLN A 39 -19.050 -10.703 -5.784 1.00 44.43 H new ATOM 605 N SER A 40 -22.750 -4.810 -2.977 1.00 20.11 N ATOM 606 CA SER A 40 -22.555 -3.998 -1.785 1.00 43.44 C ATOM 607 C SER A 40 -21.603 -4.617 -0.742 1.00 2.23 C ATOM 608 O SER A 40 -21.863 -4.488 0.458 1.00 23.11 O ATOM 609 CB SER A 40 -23.908 -3.507 -1.251 1.00 13.40 C ATOM 610 OG SER A 40 -24.812 -4.527 -0.850 1.00 34.01 O ATOM 0 H SER A 40 -22.702 -4.250 -3.828 1.00 20.11 H new ATOM 0 HA SER A 40 -22.000 -3.105 -2.072 1.00 43.44 H new ATOM 0 HB2 SER A 40 -23.727 -2.851 -0.400 1.00 13.40 H new ATOM 0 HB3 SER A 40 -24.387 -2.904 -2.023 1.00 13.40 H new ATOM 0 HG SER A 40 -24.400 -5.404 -0.994 1.00 34.01 H new ATOM 616 N CYS A 41 -20.525 -5.291 -1.177 1.00 12.12 N ATOM 617 CA CYS A 41 -19.585 -5.985 -0.290 1.00 41.22 C ATOM 618 C CYS A 41 -18.162 -6.000 -0.863 1.00 1.12 C ATOM 619 O CYS A 41 -17.931 -5.644 -2.019 1.00 51.10 O ATOM 620 CB CYS A 41 -20.065 -7.427 -0.046 1.00 33.35 C ATOM 621 SG CYS A 41 -21.206 -7.459 1.359 1.00 13.53 S ATOM 0 H CYS A 41 -20.282 -5.368 -2.165 1.00 12.12 H new ATOM 0 HA CYS A 41 -19.556 -5.440 0.653 1.00 41.22 H new ATOM 0 HB2 CYS A 41 -20.560 -7.812 -0.938 1.00 33.35 H new ATOM 0 HB3 CYS A 41 -19.212 -8.076 0.151 1.00 33.35 H new ATOM 0 HG CYS A 41 -21.831 -6.322 1.436 1.00 13.53 H new ATOM 627 N TRP A 42 -17.209 -6.452 -0.049 1.00 2.43 N ATOM 628 CA TRP A 42 -15.805 -6.644 -0.394 1.00 71.25 C ATOM 629 C TRP A 42 -15.628 -8.084 -0.856 1.00 44.22 C ATOM 630 O TRP A 42 -15.743 -8.996 -0.034 1.00 61.33 O ATOM 631 CB TRP A 42 -14.948 -6.425 0.855 1.00 34.23 C ATOM 632 CG TRP A 42 -15.133 -5.111 1.531 1.00 32.44 C ATOM 633 CD1 TRP A 42 -15.737 -4.896 2.724 1.00 40.14 C ATOM 634 CD2 TRP A 42 -14.724 -3.809 1.040 1.00 2.11 C ATOM 635 NE1 TRP A 42 -15.749 -3.540 2.980 1.00 14.13 N ATOM 636 CE2 TRP A 42 -15.153 -2.821 1.969 1.00 3.13 C ATOM 637 CE3 TRP A 42 -14.050 -3.377 -0.118 1.00 60.12 C ATOM 638 CZ2 TRP A 42 -14.955 -1.456 1.736 1.00 41.25 C ATOM 639 CZ3 TRP A 42 -13.756 -2.015 -0.307 1.00 31.32 C ATOM 640 CH2 TRP A 42 -14.241 -1.054 0.595 1.00 2.23 C ATOM 0 H TRP A 42 -17.408 -6.707 0.918 1.00 2.43 H new ATOM 0 HA TRP A 42 -15.506 -5.945 -1.175 1.00 71.25 H new ATOM 0 HB2 TRP A 42 -15.168 -7.217 1.570 1.00 34.23 H new ATOM 0 HB3 TRP A 42 -13.899 -6.528 0.578 1.00 34.23 H new ATOM 0 HD1 TRP A 42 -16.143 -5.661 3.370 1.00 40.14 H new ATOM 0 HE1 TRP A 42 -16.151 -3.121 3.818 1.00 14.13 H new ATOM 0 HE3 TRP A 42 -13.756 -4.097 -0.867 1.00 60.12 H new ATOM 0 HZ2 TRP A 42 -15.346 -0.721 2.424 1.00 41.25 H new ATOM 0 HZ3 TRP A 42 -13.155 -1.707 -1.149 1.00 31.32 H new ATOM 0 HH2 TRP A 42 -14.065 -0.004 0.411 1.00 2.23 H new ATOM 651 N LYS A 43 -15.361 -8.334 -2.149 1.00 43.14 N ATOM 652 CA LYS A 43 -15.586 -9.725 -2.599 1.00 71.22 C ATOM 653 C LYS A 43 -14.529 -10.730 -2.145 1.00 34.41 C ATOM 654 O LYS A 43 -14.717 -11.941 -2.243 1.00 30.22 O ATOM 655 CB LYS A 43 -15.555 -9.766 -4.133 1.00 31.45 C ATOM 656 CG LYS A 43 -16.416 -8.699 -4.782 1.00 73.41 C ATOM 657 CD LYS A 43 -15.592 -7.626 -5.488 1.00 3.13 C ATOM 658 CE LYS A 43 -15.074 -8.157 -6.824 1.00 11.21 C ATOM 659 NZ LYS A 43 -15.477 -7.315 -7.976 1.00 71.02 N ATOM 0 H LYS A 43 -15.022 -7.669 -2.844 1.00 43.14 H new ATOM 0 HA LYS A 43 -16.542 -10.008 -2.159 1.00 71.22 H new ATOM 0 HB2 LYS A 43 -14.526 -9.647 -4.471 1.00 31.45 H new ATOM 0 HB3 LYS A 43 -15.890 -10.747 -4.470 1.00 31.45 H new ATOM 0 HG2 LYS A 43 -17.087 -9.168 -5.502 1.00 73.41 H new ATOM 0 HG3 LYS A 43 -17.041 -8.230 -4.022 1.00 73.41 H new ATOM 0 HD2 LYS A 43 -16.202 -6.738 -5.653 1.00 3.13 H new ATOM 0 HD3 LYS A 43 -14.755 -7.326 -4.858 1.00 3.13 H new ATOM 0 HE2 LYS A 43 -13.986 -8.217 -6.788 1.00 11.21 H new ATOM 0 HE3 LYS A 43 -15.445 -9.171 -6.974 1.00 11.21 H new ATOM 0 HZ1 LYS A 43 -14.730 -7.335 -8.699 1.00 71.02 H new ATOM 0 HZ2 LYS A 43 -16.361 -7.682 -8.382 1.00 71.02 H new ATOM 0 HZ3 LYS A 43 -15.623 -6.336 -7.656 1.00 71.02 H new ATOM 673 N THR A 44 -13.471 -10.147 -1.609 1.00 72.14 N ATOM 674 CA THR A 44 -12.178 -10.721 -1.236 1.00 62.31 C ATOM 675 C THR A 44 -11.647 -11.672 -2.323 1.00 11.34 C ATOM 676 O THR A 44 -10.718 -12.442 -2.116 1.00 24.41 O ATOM 677 CB THR A 44 -12.209 -11.256 0.215 1.00 2.20 C ATOM 678 OG1 THR A 44 -13.460 -11.832 0.515 1.00 63.15 O ATOM 679 CG2 THR A 44 -11.965 -10.107 1.197 1.00 72.01 C ATOM 0 H THR A 44 -13.494 -9.149 -1.399 1.00 72.14 H new ATOM 0 HA THR A 44 -11.416 -9.942 -1.204 1.00 62.31 H new ATOM 0 HB THR A 44 -11.430 -12.013 0.307 1.00 2.20 H new ATOM 0 HG1 THR A 44 -13.454 -12.164 1.437 1.00 63.15 H new ATOM 0 HG21 THR A 44 -11.988 -10.489 2.217 1.00 72.01 H new ATOM 0 HG22 THR A 44 -10.991 -9.660 0.999 1.00 72.01 H new ATOM 0 HG23 THR A 44 -12.742 -9.353 1.075 1.00 72.01 H new ATOM 687 N ASP A 45 -12.195 -11.596 -3.537 1.00 71.23 N ATOM 688 CA ASP A 45 -12.157 -12.736 -4.424 1.00 73.45 C ATOM 689 C ASP A 45 -10.817 -12.750 -5.125 1.00 40.31 C ATOM 690 O ASP A 45 -10.322 -13.794 -5.539 1.00 44.14 O ATOM 691 CB ASP A 45 -13.250 -12.607 -5.480 1.00 41.40 C ATOM 692 CG ASP A 45 -14.458 -13.524 -5.251 1.00 14.05 C ATOM 693 OD1 ASP A 45 -14.326 -14.774 -5.246 1.00 72.22 O ATOM 694 OD2 ASP A 45 -15.594 -13.019 -5.187 1.00 74.34 O ATOM 0 H ASP A 45 -12.659 -10.770 -3.914 1.00 71.23 H new ATOM 0 HA ASP A 45 -12.308 -13.650 -3.851 1.00 73.45 H new ATOM 0 HB2 ASP A 45 -13.593 -11.573 -5.507 1.00 41.40 H new ATOM 0 HB3 ASP A 45 -12.822 -12.826 -6.458 1.00 41.40 H new ATOM 699 N LEU A 46 -10.284 -11.542 -5.325 1.00 42.35 N ATOM 700 CA LEU A 46 -9.035 -11.306 -5.986 1.00 61.13 C ATOM 701 C LEU A 46 -7.875 -11.315 -4.995 1.00 43.52 C ATOM 702 O LEU A 46 -6.741 -11.112 -5.430 1.00 1.14 O ATOM 703 CB LEU A 46 -9.116 -9.976 -6.759 1.00 22.22 C ATOM 704 CG LEU A 46 -9.938 -10.131 -8.058 1.00 4.51 C ATOM 705 CD1 LEU A 46 -11.231 -9.321 -8.041 1.00 32.23 C ATOM 706 CD2 LEU A 46 -9.112 -9.686 -9.261 1.00 73.45 C ATOM 0 H LEU A 46 -10.740 -10.684 -5.014 1.00 42.35 H new ATOM 0 HA LEU A 46 -8.844 -12.112 -6.695 1.00 61.13 H new ATOM 0 HB2 LEU A 46 -9.571 -9.213 -6.127 1.00 22.22 H new ATOM 0 HB3 LEU A 46 -8.111 -9.632 -7.001 1.00 22.22 H new ATOM 0 HG LEU A 46 -10.197 -11.187 -8.131 1.00 4.51 H new ATOM 0 HD11 LEU A 46 -11.766 -9.469 -8.979 1.00 32.23 H new ATOM 0 HD12 LEU A 46 -11.856 -9.651 -7.211 1.00 32.23 H new ATOM 0 HD13 LEU A 46 -10.996 -8.263 -7.921 1.00 32.23 H new ATOM 0 HD21 LEU A 46 -9.702 -9.800 -10.170 1.00 73.45 H new ATOM 0 HD22 LEU A 46 -8.829 -8.640 -9.141 1.00 73.45 H new ATOM 0 HD23 LEU A 46 -8.214 -10.299 -9.332 1.00 73.45 H new ATOM 718 N VAL A 47 -8.135 -11.484 -3.691 1.00 30.11 N ATOM 719 CA VAL A 47 -7.080 -11.463 -2.669 1.00 1.42 C ATOM 720 C VAL A 47 -6.573 -12.869 -2.339 1.00 64.03 C ATOM 721 O VAL A 47 -7.255 -13.875 -2.539 1.00 13.40 O ATOM 722 CB VAL A 47 -7.407 -10.493 -1.495 1.00 23.52 C ATOM 723 CG1 VAL A 47 -8.807 -10.488 -0.918 1.00 34.41 C ATOM 724 CG2 VAL A 47 -6.407 -10.520 -0.333 1.00 2.51 C ATOM 0 H VAL A 47 -9.072 -11.637 -3.318 1.00 30.11 H new ATOM 0 HA VAL A 47 -6.184 -10.997 -3.080 1.00 1.42 H new ATOM 0 HB VAL A 47 -7.316 -9.563 -2.057 1.00 23.52 H new ATOM 0 HG11 VAL A 47 -8.865 -9.758 -0.111 1.00 34.41 H new ATOM 0 HG12 VAL A 47 -9.521 -10.224 -1.698 1.00 34.41 H new ATOM 0 HG13 VAL A 47 -9.044 -11.478 -0.529 1.00 34.41 H new ATOM 0 HG21 VAL A 47 -6.721 -9.812 0.434 1.00 2.51 H new ATOM 0 HG22 VAL A 47 -6.371 -11.523 0.093 1.00 2.51 H new ATOM 0 HG23 VAL A 47 -5.418 -10.245 -0.698 1.00 2.51 H new ATOM 734 N ALA A 48 -5.327 -12.938 -1.870 1.00 65.22 N ATOM 735 CA ALA A 48 -4.672 -14.171 -1.478 1.00 2.33 C ATOM 736 C ALA A 48 -5.313 -14.718 -0.200 1.00 45.20 C ATOM 737 O ALA A 48 -5.732 -13.924 0.653 1.00 72.44 O ATOM 738 CB ALA A 48 -3.182 -13.906 -1.248 1.00 72.14 C ATOM 0 H ALA A 48 -4.737 -12.114 -1.752 1.00 65.22 H new ATOM 0 HA ALA A 48 -4.786 -14.910 -2.271 1.00 2.33 H new ATOM 0 HB1 ALA A 48 -2.689 -14.832 -0.953 1.00 72.14 H new ATOM 0 HB2 ALA A 48 -2.733 -13.533 -2.168 1.00 72.14 H new ATOM 0 HB3 ALA A 48 -3.062 -13.164 -0.459 1.00 72.14 H new ATOM 744 N PRO A 49 -5.312 -16.049 -0.010 1.00 25.42 N ATOM 745 CA PRO A 49 -5.962 -16.677 1.131 1.00 13.14 C ATOM 746 C PRO A 49 -5.313 -16.202 2.433 1.00 1.23 C ATOM 747 O PRO A 49 -6.030 -15.867 3.375 1.00 30.22 O ATOM 748 CB PRO A 49 -5.872 -18.188 0.891 1.00 5.13 C ATOM 749 CG PRO A 49 -4.684 -18.354 -0.053 1.00 62.21 C ATOM 750 CD PRO A 49 -4.660 -17.048 -0.847 1.00 61.15 C ATOM 0 HA PRO A 49 -7.012 -16.401 1.232 1.00 13.14 H new ATOM 0 HB2 PRO A 49 -5.716 -18.730 1.824 1.00 5.13 H new ATOM 0 HB3 PRO A 49 -6.789 -18.575 0.447 1.00 5.13 H new ATOM 0 HG2 PRO A 49 -3.755 -18.504 0.497 1.00 62.21 H new ATOM 0 HG3 PRO A 49 -4.811 -19.217 -0.707 1.00 62.21 H new ATOM 0 HD2 PRO A 49 -3.637 -16.753 -1.079 1.00 61.15 H new ATOM 0 HD3 PRO A 49 -5.183 -17.161 -1.797 1.00 61.15 H new ATOM 758 N GLU A 50 -3.981 -16.039 2.444 1.00 74.13 N ATOM 759 CA GLU A 50 -3.217 -15.632 3.621 1.00 15.11 C ATOM 760 C GLU A 50 -3.685 -14.294 4.196 1.00 21.14 C ATOM 761 O GLU A 50 -3.522 -14.055 5.395 1.00 31.42 O ATOM 762 CB GLU A 50 -1.701 -15.570 3.318 1.00 75.34 C ATOM 763 CG GLU A 50 -1.272 -14.389 2.415 1.00 23.04 C ATOM 764 CD GLU A 50 0.223 -14.044 2.442 1.00 13.34 C ATOM 765 OE1 GLU A 50 0.805 -13.927 3.542 1.00 44.04 O ATOM 766 OE2 GLU A 50 0.780 -13.711 1.365 1.00 3.34 O ATOM 0 H GLU A 50 -3.400 -16.190 1.619 1.00 74.13 H new ATOM 0 HA GLU A 50 -3.399 -16.398 4.374 1.00 15.11 H new ATOM 0 HB2 GLU A 50 -1.158 -15.505 4.261 1.00 75.34 H new ATOM 0 HB3 GLU A 50 -1.401 -16.503 2.841 1.00 75.34 H new ATOM 0 HG2 GLU A 50 -1.555 -14.619 1.388 1.00 23.04 H new ATOM 0 HG3 GLU A 50 -1.836 -13.505 2.711 1.00 23.04 H new ATOM 773 N TRP A 51 -4.221 -13.417 3.340 1.00 4.41 N ATOM 774 CA TRP A 51 -4.678 -12.099 3.722 1.00 21.23 C ATOM 775 C TRP A 51 -6.126 -12.220 4.188 1.00 54.04 C ATOM 776 O TRP A 51 -6.447 -11.942 5.344 1.00 10.34 O ATOM 777 CB TRP A 51 -4.480 -11.078 2.581 1.00 3.42 C ATOM 778 CG TRP A 51 -3.162 -10.351 2.594 1.00 72.11 C ATOM 779 CD1 TRP A 51 -2.025 -10.786 2.011 1.00 52.12 C ATOM 780 CD2 TRP A 51 -2.810 -9.070 3.217 1.00 74.43 C ATOM 781 NE1 TRP A 51 -0.988 -9.927 2.300 1.00 11.43 N ATOM 782 CE2 TRP A 51 -1.407 -8.862 3.068 1.00 63.45 C ATOM 783 CE3 TRP A 51 -3.528 -8.050 3.880 1.00 32.55 C ATOM 784 CZ2 TRP A 51 -0.745 -7.756 3.626 1.00 30.32 C ATOM 785 CZ3 TRP A 51 -2.884 -6.917 4.412 1.00 30.51 C ATOM 786 CH2 TRP A 51 -1.491 -6.776 4.299 1.00 53.53 C ATOM 0 H TRP A 51 -4.346 -13.618 2.348 1.00 4.41 H new ATOM 0 HA TRP A 51 -4.081 -11.710 4.547 1.00 21.23 H new ATOM 0 HB2 TRP A 51 -4.581 -11.598 1.628 1.00 3.42 H new ATOM 0 HB3 TRP A 51 -5.283 -10.343 2.629 1.00 3.42 H new ATOM 0 HD1 TRP A 51 -1.941 -11.677 1.407 1.00 52.12 H new ATOM 0 HE1 TRP A 51 -0.028 -10.062 1.984 1.00 11.43 H new ATOM 0 HE3 TRP A 51 -4.599 -8.142 3.981 1.00 32.55 H new ATOM 0 HZ2 TRP A 51 0.327 -7.661 3.538 1.00 30.32 H new ATOM 0 HZ3 TRP A 51 -3.463 -6.153 4.909 1.00 30.51 H new ATOM 0 HH2 TRP A 51 -0.996 -5.917 4.728 1.00 53.53 H new ATOM 797 N ARG A 52 -7.019 -12.631 3.290 1.00 21.54 N ATOM 798 CA ARG A 52 -8.461 -12.590 3.539 1.00 0.21 C ATOM 799 C ARG A 52 -8.937 -13.522 4.657 1.00 3.12 C ATOM 800 O ARG A 52 -10.031 -13.295 5.169 1.00 40.44 O ATOM 801 CB ARG A 52 -9.202 -12.824 2.237 1.00 14.33 C ATOM 802 CG ARG A 52 -8.937 -14.190 1.591 1.00 11.13 C ATOM 803 CD ARG A 52 -8.966 -13.965 0.078 1.00 11.11 C ATOM 804 NE ARG A 52 -8.968 -15.187 -0.734 1.00 25.52 N ATOM 805 CZ ARG A 52 -9.947 -16.091 -0.819 1.00 13.25 C ATOM 806 NH1 ARG A 52 -11.020 -16.019 -0.044 1.00 33.22 N ATOM 807 NH2 ARG A 52 -9.845 -17.079 -1.692 1.00 4.00 N ATOM 0 H ARG A 52 -6.767 -13.000 2.373 1.00 21.54 H new ATOM 0 HA ARG A 52 -8.695 -11.594 3.915 1.00 0.21 H new ATOM 0 HB2 ARG A 52 -10.272 -12.724 2.419 1.00 14.33 H new ATOM 0 HB3 ARG A 52 -8.925 -12.042 1.530 1.00 14.33 H new ATOM 0 HG2 ARG A 52 -7.972 -14.588 1.906 1.00 11.13 H new ATOM 0 HG3 ARG A 52 -9.694 -14.915 1.890 1.00 11.13 H new ATOM 0 HD2 ARG A 52 -9.853 -13.381 -0.170 1.00 11.11 H new ATOM 0 HD3 ARG A 52 -8.101 -13.364 -0.201 1.00 11.11 H new ATOM 0 HE ARG A 52 -8.133 -15.365 -1.293 1.00 25.52 H new ATOM 0 HH11 ARG A 52 -11.110 -15.262 0.634 1.00 33.22 H new ATOM 0 HH12 ARG A 52 -11.756 -16.720 -0.126 1.00 33.22 H new ATOM 0 HH21 ARG A 52 -9.024 -17.146 -2.293 1.00 4.00 H new ATOM 0 HH22 ARG A 52 -10.588 -17.774 -1.764 1.00 4.00 H new ATOM 821 N GLN A 53 -8.126 -14.506 5.061 1.00 74.12 N ATOM 822 CA GLN A 53 -8.445 -15.569 6.012 1.00 4.43 C ATOM 823 C GLN A 53 -9.173 -15.061 7.256 1.00 40.23 C ATOM 824 O GLN A 53 -10.198 -15.618 7.646 1.00 51.02 O ATOM 825 CB GLN A 53 -7.128 -16.286 6.397 1.00 61.12 C ATOM 826 CG GLN A 53 -7.142 -17.765 5.997 1.00 44.53 C ATOM 827 CD GLN A 53 -5.761 -18.287 5.585 1.00 22.53 C ATOM 828 OE1 GLN A 53 -4.749 -18.120 6.266 1.00 24.03 O ATOM 829 NE2 GLN A 53 -5.673 -18.965 4.458 1.00 2.40 N ATOM 0 H GLN A 53 -7.172 -14.583 4.709 1.00 74.12 H new ATOM 0 HA GLN A 53 -9.135 -16.263 5.532 1.00 4.43 H new ATOM 0 HB2 GLN A 53 -6.289 -15.787 5.912 1.00 61.12 H new ATOM 0 HB3 GLN A 53 -6.971 -16.203 7.472 1.00 61.12 H new ATOM 0 HG2 GLN A 53 -7.514 -18.358 6.832 1.00 44.53 H new ATOM 0 HG3 GLN A 53 -7.839 -17.906 5.171 1.00 44.53 H new ATOM 0 HE21 GLN A 53 -6.504 -19.111 3.884 1.00 2.40 H new ATOM 0 HE22 GLN A 53 -4.774 -19.344 4.160 1.00 2.40 H new ATOM 838 N ASP A 54 -8.665 -13.986 7.855 1.00 13.42 N ATOM 839 CA ASP A 54 -9.183 -13.416 9.097 1.00 22.42 C ATOM 840 C ASP A 54 -9.681 -11.988 8.869 1.00 51.43 C ATOM 841 O ASP A 54 -10.022 -11.297 9.827 1.00 11.44 O ATOM 842 CB ASP A 54 -8.092 -13.420 10.181 1.00 71.23 C ATOM 843 CG ASP A 54 -7.853 -14.786 10.806 1.00 53.23 C ATOM 844 OD1 ASP A 54 -8.809 -15.415 11.312 1.00 51.03 O ATOM 845 OD2 ASP A 54 -6.673 -15.190 10.874 1.00 33.04 O ATOM 0 H ASP A 54 -7.864 -13.476 7.482 1.00 13.42 H new ATOM 0 HA ASP A 54 -10.020 -14.029 9.430 1.00 22.42 H new ATOM 0 HB2 ASP A 54 -7.159 -13.062 9.746 1.00 71.23 H new ATOM 0 HB3 ASP A 54 -8.369 -12.715 10.965 1.00 71.23 H new ATOM 850 N TYR A 55 -9.682 -11.523 7.614 1.00 1.11 N ATOM 851 CA TYR A 55 -9.867 -10.131 7.230 1.00 51.31 C ATOM 852 C TYR A 55 -11.188 -10.036 6.455 1.00 1.35 C ATOM 853 O TYR A 55 -11.167 -10.103 5.223 1.00 22.03 O ATOM 854 CB TYR A 55 -8.703 -9.636 6.368 1.00 63.22 C ATOM 855 CG TYR A 55 -7.453 -9.263 7.130 1.00 10.52 C ATOM 856 CD1 TYR A 55 -6.831 -10.195 7.978 1.00 71.45 C ATOM 857 CD2 TYR A 55 -6.886 -7.983 6.973 1.00 34.30 C ATOM 858 CE1 TYR A 55 -5.711 -9.836 8.730 1.00 32.33 C ATOM 859 CE2 TYR A 55 -5.758 -7.620 7.724 1.00 54.42 C ATOM 860 CZ TYR A 55 -5.183 -8.533 8.636 1.00 24.05 C ATOM 861 OH TYR A 55 -4.160 -8.146 9.446 1.00 22.14 O ATOM 0 H TYR A 55 -9.548 -12.137 6.810 1.00 1.11 H new ATOM 0 HA TYR A 55 -9.896 -9.500 8.119 1.00 51.31 H new ATOM 0 HB2 TYR A 55 -8.451 -10.412 5.645 1.00 63.22 H new ATOM 0 HB3 TYR A 55 -9.036 -8.767 5.800 1.00 63.22 H new ATOM 0 HD1 TYR A 55 -7.223 -11.199 8.049 1.00 71.45 H new ATOM 0 HD2 TYR A 55 -7.319 -7.282 6.275 1.00 34.30 H new ATOM 0 HE1 TYR A 55 -5.248 -10.559 9.385 1.00 32.33 H new ATOM 0 HE2 TYR A 55 -5.327 -6.637 7.604 1.00 54.42 H new ATOM 0 HH TYR A 55 -3.606 -8.923 9.667 1.00 22.14 H new ATOM 871 N PRO A 56 -12.340 -9.929 7.135 1.00 73.40 N ATOM 872 CA PRO A 56 -13.621 -9.720 6.470 1.00 4.13 C ATOM 873 C PRO A 56 -13.756 -8.295 5.917 1.00 22.53 C ATOM 874 O PRO A 56 -14.544 -8.061 5.002 1.00 33.41 O ATOM 875 CB PRO A 56 -14.676 -9.992 7.542 1.00 43.42 C ATOM 876 CG PRO A 56 -13.959 -9.706 8.860 1.00 33.10 C ATOM 877 CD PRO A 56 -12.513 -10.095 8.568 1.00 52.53 C ATOM 0 HA PRO A 56 -13.729 -10.377 5.607 1.00 4.13 H new ATOM 0 HB2 PRO A 56 -15.547 -9.349 7.415 1.00 43.42 H new ATOM 0 HB3 PRO A 56 -15.031 -11.022 7.498 1.00 43.42 H new ATOM 0 HG2 PRO A 56 -14.043 -8.657 9.144 1.00 33.10 H new ATOM 0 HG3 PRO A 56 -14.375 -10.292 9.679 1.00 33.10 H new ATOM 0 HD2 PRO A 56 -11.819 -9.463 9.121 1.00 52.53 H new ATOM 0 HD3 PRO A 56 -12.316 -11.124 8.869 1.00 52.53 H new ATOM 885 N GLU A 57 -12.977 -7.350 6.441 1.00 71.30 N ATOM 886 CA GLU A 57 -12.952 -5.944 6.063 1.00 34.05 C ATOM 887 C GLU A 57 -11.569 -5.618 5.497 1.00 24.00 C ATOM 888 O GLU A 57 -10.600 -6.330 5.798 1.00 13.34 O ATOM 889 CB GLU A 57 -13.279 -5.093 7.303 1.00 14.52 C ATOM 890 CG GLU A 57 -14.782 -4.785 7.388 1.00 32.51 C ATOM 891 CD GLU A 57 -15.142 -3.424 6.781 1.00 31.22 C ATOM 892 OE1 GLU A 57 -14.663 -2.380 7.282 1.00 73.43 O ATOM 893 OE2 GLU A 57 -15.954 -3.403 5.831 1.00 5.01 O ATOM 0 H GLU A 57 -12.309 -7.561 7.183 1.00 71.30 H new ATOM 0 HA GLU A 57 -13.695 -5.724 5.297 1.00 34.05 H new ATOM 0 HB2 GLU A 57 -12.962 -5.621 8.203 1.00 14.52 H new ATOM 0 HB3 GLU A 57 -12.716 -4.160 7.266 1.00 14.52 H new ATOM 0 HG2 GLU A 57 -15.339 -5.567 6.872 1.00 32.51 H new ATOM 0 HG3 GLU A 57 -15.095 -4.807 8.432 1.00 32.51 H new ATOM 900 N PRO A 58 -11.443 -4.546 4.698 1.00 21.52 N ATOM 901 CA PRO A 58 -10.180 -4.171 4.090 1.00 71.54 C ATOM 902 C PRO A 58 -9.208 -3.602 5.134 1.00 1.52 C ATOM 903 O PRO A 58 -9.624 -3.199 6.226 1.00 52.41 O ATOM 904 CB PRO A 58 -10.551 -3.166 3.005 1.00 45.54 C ATOM 905 CG PRO A 58 -11.775 -2.471 3.581 1.00 73.53 C ATOM 906 CD PRO A 58 -12.490 -3.624 4.282 1.00 62.43 C ATOM 0 HA PRO A 58 -9.649 -5.022 3.663 1.00 71.54 H new ATOM 0 HB2 PRO A 58 -9.741 -2.462 2.814 1.00 45.54 H new ATOM 0 HB3 PRO A 58 -10.775 -3.659 2.059 1.00 45.54 H new ATOM 0 HG2 PRO A 58 -11.504 -1.676 4.275 1.00 73.53 H new ATOM 0 HG3 PRO A 58 -12.392 -2.020 2.804 1.00 73.53 H new ATOM 0 HD2 PRO A 58 -13.060 -3.267 5.140 1.00 62.43 H new ATOM 0 HD3 PRO A 58 -13.197 -4.112 3.611 1.00 62.43 H new ATOM 914 N PRO A 59 -7.898 -3.601 4.844 1.00 54.52 N ATOM 915 CA PRO A 59 -6.893 -3.080 5.751 1.00 4.25 C ATOM 916 C PRO A 59 -6.917 -1.550 5.756 1.00 62.30 C ATOM 917 O PRO A 59 -6.459 -0.900 4.820 1.00 12.34 O ATOM 918 CB PRO A 59 -5.577 -3.654 5.252 1.00 1.03 C ATOM 919 CG PRO A 59 -5.799 -3.889 3.762 1.00 12.24 C ATOM 920 CD PRO A 59 -7.283 -4.229 3.684 1.00 62.13 C ATOM 0 HA PRO A 59 -7.065 -3.367 6.788 1.00 4.25 H new ATOM 0 HB2 PRO A 59 -4.752 -2.963 5.426 1.00 1.03 H new ATOM 0 HB3 PRO A 59 -5.329 -4.582 5.767 1.00 1.03 H new ATOM 0 HG2 PRO A 59 -5.557 -3.004 3.174 1.00 12.24 H new ATOM 0 HG3 PRO A 59 -5.179 -4.702 3.385 1.00 12.24 H new ATOM 0 HD2 PRO A 59 -7.721 -3.855 2.759 1.00 62.13 H new ATOM 0 HD3 PRO A 59 -7.438 -5.308 3.696 1.00 62.13 H new ATOM 928 N ASP A 60 -7.467 -0.972 6.812 1.00 44.25 N ATOM 929 CA ASP A 60 -7.641 0.466 6.983 1.00 53.04 C ATOM 930 C ASP A 60 -6.324 1.065 7.484 1.00 41.22 C ATOM 931 O ASP A 60 -5.941 0.799 8.628 1.00 62.44 O ATOM 932 CB ASP A 60 -8.794 0.713 7.971 1.00 73.22 C ATOM 933 CG ASP A 60 -9.471 2.066 7.786 1.00 35.23 C ATOM 934 OD1 ASP A 60 -9.320 2.693 6.721 1.00 53.35 O ATOM 935 OD2 ASP A 60 -10.191 2.501 8.711 1.00 10.42 O ATOM 0 H ASP A 60 -7.818 -1.510 7.604 1.00 44.25 H new ATOM 0 HA ASP A 60 -7.896 0.947 6.039 1.00 53.04 H new ATOM 0 HB2 ASP A 60 -9.537 -0.076 7.855 1.00 73.22 H new ATOM 0 HB3 ASP A 60 -8.411 0.643 8.989 1.00 73.22 H new ATOM 940 N PHE A 61 -5.557 1.760 6.636 1.00 31.53 N ATOM 941 CA PHE A 61 -4.168 2.120 6.954 1.00 52.03 C ATOM 942 C PHE A 61 -3.978 3.496 7.596 1.00 45.54 C ATOM 943 O PHE A 61 -2.967 3.711 8.268 1.00 10.23 O ATOM 944 CB PHE A 61 -3.317 2.079 5.683 1.00 14.55 C ATOM 945 CG PHE A 61 -3.143 0.708 5.067 1.00 55.54 C ATOM 946 CD1 PHE A 61 -2.218 -0.206 5.607 1.00 43.53 C ATOM 947 CD2 PHE A 61 -3.885 0.357 3.927 1.00 40.11 C ATOM 948 CE1 PHE A 61 -2.045 -1.469 5.012 1.00 14.21 C ATOM 949 CE2 PHE A 61 -3.693 -0.893 3.320 1.00 14.11 C ATOM 950 CZ PHE A 61 -2.775 -1.810 3.860 1.00 53.05 C ATOM 0 H PHE A 61 -5.874 2.085 5.723 1.00 31.53 H new ATOM 0 HA PHE A 61 -3.856 1.381 7.693 1.00 52.03 H new ATOM 0 HB2 PHE A 61 -3.769 2.738 4.941 1.00 14.55 H new ATOM 0 HB3 PHE A 61 -2.331 2.484 5.912 1.00 14.55 H new ATOM 0 HD1 PHE A 61 -1.641 0.063 6.479 1.00 43.53 H new ATOM 0 HD2 PHE A 61 -4.604 1.051 3.517 1.00 40.11 H new ATOM 0 HE1 PHE A 61 -1.351 -2.177 5.440 1.00 14.21 H new ATOM 0 HE2 PHE A 61 -4.253 -1.152 2.434 1.00 14.11 H new ATOM 0 HZ PHE A 61 -2.631 -2.773 3.392 1.00 53.05 H new ATOM 960 N ILE A 62 -4.872 4.454 7.354 1.00 12.44 N ATOM 961 CA ILE A 62 -4.701 5.831 7.814 1.00 25.21 C ATOM 962 C ILE A 62 -5.065 5.867 9.302 1.00 33.41 C ATOM 963 O ILE A 62 -4.309 6.371 10.143 1.00 15.15 O ATOM 964 CB ILE A 62 -5.540 6.819 6.959 1.00 65.33 C ATOM 965 CG1 ILE A 62 -5.315 6.590 5.450 1.00 34.11 C ATOM 966 CG2 ILE A 62 -5.179 8.260 7.327 1.00 22.25 C ATOM 967 CD1 ILE A 62 -6.085 7.535 4.526 1.00 72.31 C ATOM 0 H ILE A 62 -5.735 4.297 6.834 1.00 12.44 H new ATOM 0 HA ILE A 62 -3.668 6.157 7.692 1.00 25.21 H new ATOM 0 HB ILE A 62 -6.594 6.640 7.173 1.00 65.33 H new ATOM 0 HG12 ILE A 62 -4.250 6.689 5.239 1.00 34.11 H new ATOM 0 HG13 ILE A 62 -5.594 5.564 5.209 1.00 34.11 H new ATOM 0 HG21 ILE A 62 -5.771 8.949 6.724 1.00 22.25 H new ATOM 0 HG22 ILE A 62 -5.389 8.429 8.383 1.00 22.25 H new ATOM 0 HG23 ILE A 62 -4.119 8.430 7.137 1.00 22.25 H new ATOM 0 HD11 ILE A 62 -5.859 7.293 3.488 1.00 72.31 H new ATOM 0 HD12 ILE A 62 -7.155 7.423 4.700 1.00 72.31 H new ATOM 0 HD13 ILE A 62 -5.790 8.564 4.731 1.00 72.31 H new ATOM 979 N ALA A 63 -6.230 5.312 9.639 1.00 62.41 N ATOM 980 CA ALA A 63 -6.713 5.178 10.999 1.00 11.51 C ATOM 981 C ALA A 63 -5.835 4.196 11.768 1.00 64.42 C ATOM 982 O ALA A 63 -5.335 4.528 12.845 1.00 53.04 O ATOM 983 CB ALA A 63 -8.175 4.730 10.962 1.00 0.52 C ATOM 0 H ALA A 63 -6.877 4.934 8.947 1.00 62.41 H new ATOM 0 HA ALA A 63 -6.660 6.135 11.518 1.00 11.51 H new ATOM 0 HB1 ALA A 63 -8.549 4.626 11.980 1.00 0.52 H new ATOM 0 HB2 ALA A 63 -8.770 5.473 10.431 1.00 0.52 H new ATOM 0 HB3 ALA A 63 -8.249 3.771 10.448 1.00 0.52 H new ATOM 989 N SER A 64 -5.597 3.020 11.193 1.00 72.22 N ATOM 990 CA SER A 64 -5.225 1.829 11.928 1.00 62.01 C ATOM 991 C SER A 64 -3.839 1.333 11.506 1.00 33.42 C ATOM 992 O SER A 64 -3.438 1.487 10.350 1.00 23.11 O ATOM 993 CB SER A 64 -6.328 0.802 11.644 1.00 32.41 C ATOM 994 OG SER A 64 -6.961 0.380 12.830 1.00 53.41 O ATOM 0 H SER A 64 -5.660 2.872 10.186 1.00 72.22 H new ATOM 0 HA SER A 64 -5.146 2.018 12.999 1.00 62.01 H new ATOM 0 HB2 SER A 64 -7.067 1.237 10.971 1.00 32.41 H new ATOM 0 HB3 SER A 64 -5.900 -0.060 11.132 1.00 32.41 H new ATOM 0 HG SER A 64 -7.659 -0.272 12.614 1.00 53.41 H new ATOM 1000 N ARG A 65 -3.109 0.661 12.409 1.00 74.11 N ATOM 1001 CA ARG A 65 -1.905 -0.082 12.029 1.00 22.24 C ATOM 1002 C ARG A 65 -1.877 -1.531 12.550 1.00 21.52 C ATOM 1003 O ARG A 65 -0.812 -1.991 12.958 1.00 2.24 O ATOM 1004 CB ARG A 65 -0.668 0.773 12.400 1.00 24.24 C ATOM 1005 CG ARG A 65 -0.510 1.238 13.863 1.00 64.31 C ATOM 1006 CD ARG A 65 -0.105 0.141 14.858 1.00 51.23 C ATOM 1007 NE ARG A 65 0.134 0.695 16.199 1.00 15.10 N ATOM 1008 CZ ARG A 65 0.958 0.212 17.132 1.00 3.34 C ATOM 1009 NH1 ARG A 65 1.709 -0.862 16.912 1.00 75.22 N ATOM 1010 NH2 ARG A 65 1.053 0.834 18.297 1.00 34.22 N ATOM 0 H ARG A 65 -3.333 0.619 13.403 1.00 74.11 H new ATOM 0 HA ARG A 65 -1.899 -0.235 10.950 1.00 22.24 H new ATOM 0 HB2 ARG A 65 0.222 0.202 12.135 1.00 24.24 H new ATOM 0 HB3 ARG A 65 -0.677 1.661 11.768 1.00 24.24 H new ATOM 0 HG2 ARG A 65 0.237 2.031 13.897 1.00 64.31 H new ATOM 0 HG3 ARG A 65 -1.453 1.675 14.192 1.00 64.31 H new ATOM 0 HD2 ARG A 65 -0.890 -0.614 14.909 1.00 51.23 H new ATOM 0 HD3 ARG A 65 0.796 -0.359 14.503 1.00 51.23 H new ATOM 0 HE ARG A 65 -0.385 1.539 16.442 1.00 15.10 H new ATOM 0 HH11 ARG A 65 1.665 -1.340 16.012 1.00 75.22 H new ATOM 0 HH12 ARG A 65 2.330 -1.209 17.643 1.00 75.22 H new ATOM 0 HH21 ARG A 65 0.500 1.673 18.474 1.00 34.22 H new ATOM 0 HH22 ARG A 65 1.679 0.474 19.018 1.00 34.22 H new ATOM 1024 N PRO A 66 -2.923 -2.352 12.329 1.00 63.30 N ATOM 1025 CA PRO A 66 -2.844 -3.794 12.511 1.00 24.22 C ATOM 1026 C PRO A 66 -2.332 -4.456 11.228 1.00 35.42 C ATOM 1027 O PRO A 66 -1.361 -5.219 11.241 1.00 44.22 O ATOM 1028 CB PRO A 66 -4.269 -4.220 12.863 1.00 41.22 C ATOM 1029 CG PRO A 66 -5.158 -3.221 12.132 1.00 11.31 C ATOM 1030 CD PRO A 66 -4.299 -1.969 12.038 1.00 23.41 C ATOM 0 HA PRO A 66 -2.147 -4.093 13.294 1.00 24.22 H new ATOM 0 HB2 PRO A 66 -4.469 -5.241 12.539 1.00 41.22 H new ATOM 0 HB3 PRO A 66 -4.438 -4.188 13.939 1.00 41.22 H new ATOM 0 HG2 PRO A 66 -5.442 -3.586 11.145 1.00 11.31 H new ATOM 0 HG3 PRO A 66 -6.081 -3.032 12.680 1.00 11.31 H new ATOM 0 HD2 PRO A 66 -4.371 -1.530 11.043 1.00 23.41 H new ATOM 0 HD3 PRO A 66 -4.644 -1.215 12.745 1.00 23.41 H new ATOM 1038 N ALA A 67 -2.944 -4.119 10.090 1.00 13.24 N ATOM 1039 CA ALA A 67 -2.585 -4.651 8.787 1.00 51.01 C ATOM 1040 C ALA A 67 -1.169 -4.241 8.396 1.00 11.35 C ATOM 1041 O ALA A 67 -0.498 -4.969 7.675 1.00 35.11 O ATOM 1042 CB ALA A 67 -3.574 -4.140 7.748 1.00 43.32 C ATOM 0 H ALA A 67 -3.717 -3.455 10.055 1.00 13.24 H new ATOM 0 HA ALA A 67 -2.621 -5.739 8.834 1.00 51.01 H new ATOM 0 HB1 ALA A 67 -3.309 -4.536 6.768 1.00 43.32 H new ATOM 0 HB2 ALA A 67 -4.580 -4.466 8.012 1.00 43.32 H new ATOM 0 HB3 ALA A 67 -3.542 -3.051 7.720 1.00 43.32 H new ATOM 1048 N THR A 68 -0.690 -3.109 8.911 1.00 32.05 N ATOM 1049 CA THR A 68 0.682 -2.650 8.770 1.00 51.55 C ATOM 1050 C THR A 68 1.698 -3.730 9.198 1.00 54.04 C ATOM 1051 O THR A 68 2.743 -3.854 8.555 1.00 41.52 O ATOM 1052 CB THR A 68 0.809 -1.335 9.556 1.00 53.43 C ATOM 1053 OG1 THR A 68 -0.004 -0.333 8.964 1.00 44.40 O ATOM 1054 CG2 THR A 68 2.239 -0.798 9.590 1.00 74.11 C ATOM 0 H THR A 68 -1.269 -2.469 9.455 1.00 32.05 H new ATOM 0 HA THR A 68 0.922 -2.461 7.724 1.00 51.55 H new ATOM 0 HB THR A 68 0.494 -1.562 10.574 1.00 53.43 H new ATOM 0 HG1 THR A 68 0.082 0.500 9.472 1.00 44.40 H new ATOM 0 HG21 THR A 68 2.265 0.131 10.159 1.00 74.11 H new ATOM 0 HG22 THR A 68 2.892 -1.531 10.063 1.00 74.11 H new ATOM 0 HG23 THR A 68 2.581 -0.610 8.572 1.00 74.11 H new ATOM 1062 N VAL A 69 1.403 -4.557 10.210 1.00 43.02 N ATOM 1063 CA VAL A 69 2.275 -5.659 10.626 1.00 2.11 C ATOM 1064 C VAL A 69 2.371 -6.687 9.493 1.00 60.33 C ATOM 1065 O VAL A 69 3.461 -7.160 9.163 1.00 22.44 O ATOM 1066 CB VAL A 69 1.723 -6.303 11.919 1.00 65.01 C ATOM 1067 CG1 VAL A 69 2.571 -7.487 12.414 1.00 55.12 C ATOM 1068 CG2 VAL A 69 1.596 -5.276 13.059 1.00 40.12 C ATOM 0 H VAL A 69 0.550 -4.479 10.764 1.00 43.02 H new ATOM 0 HA VAL A 69 3.276 -5.282 10.836 1.00 2.11 H new ATOM 0 HB VAL A 69 0.736 -6.678 11.649 1.00 65.01 H new ATOM 0 HG11 VAL A 69 2.131 -7.894 13.324 1.00 55.12 H new ATOM 0 HG12 VAL A 69 2.599 -8.261 11.647 1.00 55.12 H new ATOM 0 HG13 VAL A 69 3.585 -7.146 12.623 1.00 55.12 H new ATOM 0 HG21 VAL A 69 1.205 -5.768 13.950 1.00 40.12 H new ATOM 0 HG22 VAL A 69 2.576 -4.853 13.279 1.00 40.12 H new ATOM 0 HG23 VAL A 69 0.917 -4.479 12.757 1.00 40.12 H new ATOM 1078 N LYS A 70 1.230 -7.033 8.893 1.00 4.23 N ATOM 1079 CA LYS A 70 1.129 -8.011 7.820 1.00 14.12 C ATOM 1080 C LYS A 70 1.857 -7.496 6.582 1.00 14.14 C ATOM 1081 O LYS A 70 2.743 -8.161 6.054 1.00 52.42 O ATOM 1082 CB LYS A 70 -0.357 -8.321 7.591 1.00 52.32 C ATOM 1083 CG LYS A 70 -0.576 -9.675 6.906 1.00 32.25 C ATOM 1084 CD LYS A 70 -2.012 -10.143 7.176 1.00 15.45 C ATOM 1085 CE LYS A 70 -2.257 -11.560 6.648 1.00 30.31 C ATOM 1086 NZ LYS A 70 -2.061 -12.598 7.685 1.00 13.40 N ATOM 0 H LYS A 70 0.330 -6.627 9.150 1.00 4.23 H new ATOM 0 HA LYS A 70 1.619 -8.950 8.080 1.00 14.12 H new ATOM 0 HB2 LYS A 70 -0.878 -8.313 8.548 1.00 52.32 H new ATOM 0 HB3 LYS A 70 -0.799 -7.533 6.981 1.00 52.32 H new ATOM 0 HG2 LYS A 70 -0.404 -9.587 5.833 1.00 32.25 H new ATOM 0 HG3 LYS A 70 0.137 -10.408 7.284 1.00 32.25 H new ATOM 0 HD2 LYS A 70 -2.208 -10.116 8.248 1.00 15.45 H new ATOM 0 HD3 LYS A 70 -2.713 -9.454 6.706 1.00 15.45 H new ATOM 0 HE2 LYS A 70 -3.273 -11.628 6.259 1.00 30.31 H new ATOM 0 HE3 LYS A 70 -1.583 -11.754 5.814 1.00 30.31 H new ATOM 0 HZ1 LYS A 70 -2.446 -13.503 7.347 1.00 13.40 H new ATOM 0 HZ2 LYS A 70 -1.045 -12.706 7.881 1.00 13.40 H new ATOM 0 HZ3 LYS A 70 -2.554 -12.316 8.556 1.00 13.40 H new ATOM 1100 N LEU A 71 1.581 -6.244 6.215 1.00 32.01 N ATOM 1101 CA LEU A 71 2.237 -5.503 5.145 1.00 13.14 C ATOM 1102 C LEU A 71 3.761 -5.507 5.312 1.00 52.32 C ATOM 1103 O LEU A 71 4.502 -5.605 4.337 1.00 22.43 O ATOM 1104 CB LEU A 71 1.708 -4.056 5.175 1.00 14.04 C ATOM 1105 CG LEU A 71 1.712 -3.389 3.798 1.00 4.41 C ATOM 1106 CD1 LEU A 71 0.524 -3.870 2.956 1.00 30.05 C ATOM 1107 CD2 LEU A 71 1.630 -1.870 3.954 1.00 54.33 C ATOM 0 H LEU A 71 0.858 -5.695 6.681 1.00 32.01 H new ATOM 0 HA LEU A 71 2.015 -5.977 4.189 1.00 13.14 H new ATOM 0 HB2 LEU A 71 0.692 -4.055 5.570 1.00 14.04 H new ATOM 0 HB3 LEU A 71 2.317 -3.466 5.860 1.00 14.04 H new ATOM 0 HG LEU A 71 2.639 -3.661 3.293 1.00 4.41 H new ATOM 0 HD11 LEU A 71 0.548 -3.382 1.981 1.00 30.05 H new ATOM 0 HD12 LEU A 71 0.586 -4.950 2.823 1.00 30.05 H new ATOM 0 HD13 LEU A 71 -0.407 -3.620 3.464 1.00 30.05 H new ATOM 0 HD21 LEU A 71 1.633 -1.402 2.969 1.00 54.33 H new ATOM 0 HD22 LEU A 71 0.711 -1.607 4.477 1.00 54.33 H new ATOM 0 HD23 LEU A 71 2.487 -1.516 4.527 1.00 54.33 H new ATOM 1119 N THR A 72 4.235 -5.386 6.554 1.00 13.54 N ATOM 1120 CA THR A 72 5.651 -5.366 6.887 1.00 41.42 C ATOM 1121 C THR A 72 6.315 -6.724 6.654 1.00 52.30 C ATOM 1122 O THR A 72 7.507 -6.762 6.340 1.00 54.12 O ATOM 1123 CB THR A 72 5.790 -4.867 8.333 1.00 45.42 C ATOM 1124 OG1 THR A 72 5.404 -3.501 8.358 1.00 4.24 O ATOM 1125 CG2 THR A 72 7.182 -5.049 8.938 1.00 72.34 C ATOM 0 H THR A 72 3.628 -5.298 7.369 1.00 13.54 H new ATOM 0 HA THR A 72 6.182 -4.683 6.224 1.00 41.42 H new ATOM 0 HB THR A 72 5.141 -5.480 8.958 1.00 45.42 H new ATOM 0 HG1 THR A 72 4.476 -3.429 8.664 1.00 4.24 H new ATOM 0 HG21 THR A 72 7.187 -4.669 9.960 1.00 72.34 H new ATOM 0 HG22 THR A 72 7.441 -6.108 8.943 1.00 72.34 H new ATOM 0 HG23 THR A 72 7.912 -4.500 8.343 1.00 72.34 H new ATOM 1133 N ARG A 73 5.588 -7.839 6.769 1.00 61.42 N ATOM 1134 CA ARG A 73 6.149 -9.148 6.442 1.00 63.52 C ATOM 1135 C ARG A 73 6.616 -9.162 4.991 1.00 44.42 C ATOM 1136 O ARG A 73 7.737 -9.588 4.717 1.00 62.33 O ATOM 1137 CB ARG A 73 5.174 -10.300 6.728 1.00 1.33 C ATOM 1138 CG ARG A 73 4.558 -10.196 8.132 1.00 3.32 C ATOM 1139 CD ARG A 73 4.297 -11.548 8.786 1.00 64.31 C ATOM 1140 NE ARG A 73 3.458 -12.446 7.967 1.00 0.22 N ATOM 1141 CZ ARG A 73 3.621 -13.770 7.852 1.00 23.14 C ATOM 1142 NH1 ARG A 73 4.590 -14.402 8.500 1.00 61.34 N ATOM 1143 NH2 ARG A 73 2.795 -14.474 7.091 1.00 73.45 N ATOM 0 H ARG A 73 4.618 -7.860 7.084 1.00 61.42 H new ATOM 0 HA ARG A 73 7.007 -9.313 7.094 1.00 63.52 H new ATOM 0 HB2 ARG A 73 4.379 -10.296 5.982 1.00 1.33 H new ATOM 0 HB3 ARG A 73 5.698 -11.251 6.631 1.00 1.33 H new ATOM 0 HG2 ARG A 73 5.225 -9.616 8.770 1.00 3.32 H new ATOM 0 HG3 ARG A 73 3.619 -9.646 8.068 1.00 3.32 H new ATOM 0 HD2 ARG A 73 5.251 -12.036 8.986 1.00 64.31 H new ATOM 0 HD3 ARG A 73 3.812 -11.389 9.749 1.00 64.31 H new ATOM 0 HE ARG A 73 2.691 -12.022 7.446 1.00 0.22 H new ATOM 0 HH11 ARG A 73 5.228 -13.879 9.100 1.00 61.34 H new ATOM 0 HH12 ARG A 73 4.697 -15.411 8.399 1.00 61.34 H new ATOM 0 HH21 ARG A 73 2.037 -14.007 6.594 1.00 73.45 H new ATOM 0 HH22 ARG A 73 2.918 -15.483 7.002 1.00 73.45 H new ATOM 1157 N SER A 74 5.794 -8.609 4.101 1.00 2.23 N ATOM 1158 CA SER A 74 6.059 -8.436 2.682 1.00 23.34 C ATOM 1159 C SER A 74 7.018 -7.274 2.375 1.00 71.51 C ATOM 1160 O SER A 74 7.112 -6.878 1.211 1.00 63.50 O ATOM 1161 CB SER A 74 4.714 -8.252 1.977 1.00 13.33 C ATOM 1162 OG SER A 74 3.903 -9.386 2.217 1.00 33.23 O ATOM 0 H SER A 74 4.877 -8.252 4.369 1.00 2.23 H new ATOM 0 HA SER A 74 6.572 -9.324 2.312 1.00 23.34 H new ATOM 0 HB2 SER A 74 4.219 -7.352 2.342 1.00 13.33 H new ATOM 0 HB3 SER A 74 4.867 -8.120 0.906 1.00 13.33 H new ATOM 0 HG SER A 74 3.039 -9.271 1.768 1.00 33.23 H new ATOM 1168 N ILE A 75 7.751 -6.729 3.350 1.00 31.33 N ATOM 1169 CA ILE A 75 8.891 -5.846 3.122 1.00 0.43 C ATOM 1170 C ILE A 75 10.138 -6.610 3.603 1.00 23.14 C ATOM 1171 O ILE A 75 10.510 -6.498 4.777 1.00 41.43 O ATOM 1172 CB ILE A 75 8.649 -4.452 3.749 1.00 12.24 C ATOM 1173 CG1 ILE A 75 7.463 -3.756 3.031 1.00 2.23 C ATOM 1174 CG2 ILE A 75 9.899 -3.559 3.627 1.00 14.32 C ATOM 1175 CD1 ILE A 75 6.862 -2.598 3.826 1.00 1.34 C ATOM 0 H ILE A 75 7.562 -6.895 4.339 1.00 31.33 H new ATOM 0 HA ILE A 75 9.044 -5.605 2.070 1.00 0.43 H new ATOM 0 HB ILE A 75 8.423 -4.594 4.806 1.00 12.24 H new ATOM 0 HG12 ILE A 75 7.802 -3.385 2.064 1.00 2.23 H new ATOM 0 HG13 ILE A 75 6.685 -4.493 2.834 1.00 2.23 H new ATOM 0 HG21 ILE A 75 9.697 -2.587 4.077 1.00 14.32 H new ATOM 0 HG22 ILE A 75 10.735 -4.031 4.143 1.00 14.32 H new ATOM 0 HG23 ILE A 75 10.150 -3.427 2.575 1.00 14.32 H new ATOM 0 HD11 ILE A 75 6.038 -2.159 3.263 1.00 1.34 H new ATOM 0 HD12 ILE A 75 6.492 -2.967 4.783 1.00 1.34 H new ATOM 0 HD13 ILE A 75 7.626 -1.841 4.000 1.00 1.34 H new ATOM 1187 N PRO A 76 10.749 -7.464 2.761 1.00 24.30 N ATOM 1188 CA PRO A 76 11.966 -8.206 3.088 1.00 32.44 C ATOM 1189 C PRO A 76 13.181 -7.261 3.161 1.00 34.31 C ATOM 1190 O PRO A 76 13.084 -6.084 2.806 1.00 55.53 O ATOM 1191 CB PRO A 76 12.098 -9.228 1.953 1.00 51.44 C ATOM 1192 CG PRO A 76 11.564 -8.465 0.759 1.00 11.03 C ATOM 1193 CD PRO A 76 10.369 -7.746 1.384 1.00 32.34 C ATOM 0 HA PRO A 76 11.921 -8.689 4.064 1.00 32.44 H new ATOM 0 HB2 PRO A 76 13.132 -9.539 1.806 1.00 51.44 H new ATOM 0 HB3 PRO A 76 11.519 -10.130 2.150 1.00 51.44 H new ATOM 0 HG2 PRO A 76 12.298 -7.769 0.353 1.00 11.03 H new ATOM 0 HG3 PRO A 76 11.268 -9.127 -0.055 1.00 11.03 H new ATOM 0 HD2 PRO A 76 10.141 -6.826 0.845 1.00 32.34 H new ATOM 0 HD3 PRO A 76 9.475 -8.368 1.345 1.00 32.34 H new ATOM 1201 N ALA A 77 14.337 -7.782 3.586 1.00 71.41 N ATOM 1202 CA ALA A 77 15.582 -7.033 3.746 1.00 22.11 C ATOM 1203 C ALA A 77 15.988 -6.271 2.472 1.00 52.33 C ATOM 1204 O ALA A 77 16.258 -5.076 2.571 1.00 42.34 O ATOM 1205 CB ALA A 77 16.713 -7.948 4.237 1.00 71.22 C ATOM 0 H ALA A 77 14.432 -8.767 3.835 1.00 71.41 H new ATOM 0 HA ALA A 77 15.398 -6.276 4.508 1.00 22.11 H new ATOM 0 HB1 ALA A 77 17.629 -7.367 4.348 1.00 71.22 H new ATOM 0 HB2 ALA A 77 16.439 -8.381 5.199 1.00 71.22 H new ATOM 0 HB3 ALA A 77 16.875 -8.746 3.513 1.00 71.22 H new ATOM 1211 N PRO A 78 16.034 -6.883 1.273 1.00 65.22 N ATOM 1212 CA PRO A 78 16.395 -6.185 0.034 1.00 73.42 C ATOM 1213 C PRO A 78 15.423 -5.077 -0.385 1.00 5.41 C ATOM 1214 O PRO A 78 15.765 -4.313 -1.283 1.00 42.52 O ATOM 1215 CB PRO A 78 16.491 -7.278 -1.042 1.00 64.10 C ATOM 1216 CG PRO A 78 15.601 -8.390 -0.492 1.00 52.30 C ATOM 1217 CD PRO A 78 15.881 -8.303 0.993 1.00 22.00 C ATOM 0 HA PRO A 78 17.334 -5.652 0.182 1.00 73.42 H new ATOM 0 HB2 PRO A 78 16.138 -6.922 -2.010 1.00 64.10 H new ATOM 0 HB3 PRO A 78 17.518 -7.616 -1.182 1.00 64.10 H new ATOM 0 HG2 PRO A 78 14.548 -8.222 -0.720 1.00 52.30 H new ATOM 0 HG3 PRO A 78 15.864 -9.365 -0.902 1.00 52.30 H new ATOM 0 HD2 PRO A 78 15.064 -8.732 1.573 1.00 22.00 H new ATOM 0 HD3 PRO A 78 16.783 -8.855 1.256 1.00 22.00 H new ATOM 1225 N TYR A 79 14.246 -4.957 0.239 1.00 22.40 N ATOM 1226 CA TYR A 79 13.176 -4.059 -0.191 1.00 41.50 C ATOM 1227 C TYR A 79 12.844 -3.014 0.888 1.00 4.22 C ATOM 1228 O TYR A 79 11.800 -2.353 0.843 1.00 62.20 O ATOM 1229 CB TYR A 79 11.969 -4.910 -0.623 1.00 52.21 C ATOM 1230 CG TYR A 79 12.194 -5.787 -1.855 1.00 41.12 C ATOM 1231 CD1 TYR A 79 13.166 -5.423 -2.807 1.00 51.44 C ATOM 1232 CD2 TYR A 79 11.398 -6.927 -2.105 1.00 33.51 C ATOM 1233 CE1 TYR A 79 13.356 -6.154 -3.973 1.00 44.23 C ATOM 1234 CE2 TYR A 79 11.574 -7.676 -3.290 1.00 44.22 C ATOM 1235 CZ TYR A 79 12.580 -7.300 -4.210 1.00 33.22 C ATOM 1236 OH TYR A 79 12.776 -8.005 -5.347 1.00 32.43 O ATOM 0 H TYR A 79 14.009 -5.493 1.073 1.00 22.40 H new ATOM 0 HA TYR A 79 13.499 -3.472 -1.051 1.00 41.50 H new ATOM 0 HB2 TYR A 79 11.680 -5.550 0.210 1.00 52.21 H new ATOM 0 HB3 TYR A 79 11.128 -4.245 -0.820 1.00 52.21 H new ATOM 0 HD1 TYR A 79 13.780 -4.553 -2.626 1.00 51.44 H new ATOM 0 HD2 TYR A 79 10.650 -7.228 -1.386 1.00 33.51 H new ATOM 0 HE1 TYR A 79 14.097 -5.842 -4.694 1.00 44.23 H new ATOM 0 HE2 TYR A 79 10.944 -8.530 -3.492 1.00 44.22 H new ATOM 0 HH TYR A 79 12.165 -8.771 -5.367 1.00 32.43 H new ATOM 1246 N LYS A 80 13.719 -2.860 1.888 1.00 30.44 N ATOM 1247 CA LYS A 80 13.471 -2.001 3.041 1.00 32.33 C ATOM 1248 C LYS A 80 13.245 -0.539 2.669 1.00 54.25 C ATOM 1249 O LYS A 80 12.420 0.088 3.331 1.00 10.44 O ATOM 1250 CB LYS A 80 14.608 -2.135 4.068 1.00 42.42 C ATOM 1251 CG LYS A 80 14.554 -3.462 4.843 1.00 32.20 C ATOM 1252 CD LYS A 80 13.466 -3.475 5.922 1.00 54.22 C ATOM 1253 CE LYS A 80 13.429 -4.825 6.644 1.00 11.02 C ATOM 1254 NZ LYS A 80 12.556 -4.799 7.839 1.00 61.03 N ATOM 0 H LYS A 80 14.623 -3.332 1.916 1.00 30.44 H new ATOM 0 HA LYS A 80 12.540 -2.347 3.489 1.00 32.33 H new ATOM 0 HB2 LYS A 80 15.567 -2.057 3.555 1.00 42.42 H new ATOM 0 HB3 LYS A 80 14.555 -1.305 4.773 1.00 42.42 H new ATOM 0 HG2 LYS A 80 14.376 -4.279 4.144 1.00 32.20 H new ATOM 0 HG3 LYS A 80 15.523 -3.646 5.308 1.00 32.20 H new ATOM 0 HD2 LYS A 80 13.652 -2.678 6.642 1.00 54.22 H new ATOM 0 HD3 LYS A 80 12.496 -3.274 5.468 1.00 54.22 H new ATOM 0 HE2 LYS A 80 13.076 -5.593 5.956 1.00 11.02 H new ATOM 0 HE3 LYS A 80 14.440 -5.103 6.941 1.00 11.02 H new ATOM 0 HZ1 LYS A 80 12.563 -5.734 8.294 1.00 61.03 H new ATOM 0 HZ2 LYS A 80 12.906 -4.085 8.509 1.00 61.03 H new ATOM 0 HZ3 LYS A 80 11.585 -4.560 7.554 1.00 61.03 H new ATOM 1268 N GLN A 81 13.924 0.022 1.663 1.00 72.11 N ATOM 1269 CA GLN A 81 13.875 1.460 1.395 1.00 11.32 C ATOM 1270 C GLN A 81 13.548 1.738 -0.070 1.00 3.24 C ATOM 1271 O GLN A 81 14.078 2.688 -0.645 1.00 54.44 O ATOM 1272 CB GLN A 81 15.186 2.149 1.819 1.00 13.14 C ATOM 1273 CG GLN A 81 15.698 1.761 3.212 1.00 50.10 C ATOM 1274 CD GLN A 81 16.831 2.692 3.645 1.00 24.33 C ATOM 1275 OE1 GLN A 81 16.651 3.904 3.725 1.00 52.32 O ATOM 1276 NE2 GLN A 81 18.003 2.163 3.950 1.00 34.43 N ATOM 0 H GLN A 81 14.516 -0.502 1.019 1.00 72.11 H new ATOM 0 HA GLN A 81 13.071 1.884 1.996 1.00 11.32 H new ATOM 0 HB2 GLN A 81 15.957 1.913 1.086 1.00 13.14 H new ATOM 0 HB3 GLN A 81 15.038 3.229 1.790 1.00 13.14 H new ATOM 0 HG2 GLN A 81 14.882 1.812 3.933 1.00 50.10 H new ATOM 0 HG3 GLN A 81 16.051 0.730 3.202 1.00 50.10 H new ATOM 0 HE21 GLN A 81 18.141 1.155 3.880 1.00 34.43 H new ATOM 0 HE22 GLN A 81 18.769 2.763 4.256 1.00 34.43 H new ATOM 1285 N LEU A 82 12.697 0.927 -0.704 1.00 43.42 N ATOM 1286 CA LEU A 82 12.406 1.051 -2.130 1.00 5.32 C ATOM 1287 C LEU A 82 11.871 2.430 -2.506 1.00 31.02 C ATOM 1288 O LEU A 82 12.104 2.877 -3.625 1.00 33.14 O ATOM 1289 CB LEU A 82 11.463 -0.052 -2.616 1.00 72.21 C ATOM 1290 CG LEU A 82 12.061 -1.466 -2.589 1.00 24.14 C ATOM 1291 CD1 LEU A 82 11.082 -2.455 -3.214 1.00 30.33 C ATOM 1292 CD2 LEU A 82 13.386 -1.567 -3.337 1.00 21.22 C ATOM 0 H LEU A 82 12.193 0.169 -0.243 1.00 43.42 H new ATOM 0 HA LEU A 82 13.360 0.929 -2.643 1.00 5.32 H new ATOM 0 HB2 LEU A 82 10.564 -0.041 -1.999 1.00 72.21 H new ATOM 0 HB3 LEU A 82 11.153 0.177 -3.636 1.00 72.21 H new ATOM 0 HG LEU A 82 12.246 -1.702 -1.541 1.00 24.14 H new ATOM 0 HD11 LEU A 82 11.512 -3.456 -3.192 1.00 30.33 H new ATOM 0 HD12 LEU A 82 10.149 -2.448 -2.651 1.00 30.33 H new ATOM 0 HD13 LEU A 82 10.884 -2.168 -4.247 1.00 30.33 H new ATOM 0 HD21 LEU A 82 13.758 -2.590 -3.282 1.00 21.22 H new ATOM 0 HD22 LEU A 82 13.237 -1.291 -4.381 1.00 21.22 H new ATOM 0 HD23 LEU A 82 14.112 -0.892 -2.884 1.00 21.22 H new ATOM 1304 N LEU A 83 11.248 3.151 -1.570 1.00 25.31 N ATOM 1305 CA LEU A 83 10.871 4.546 -1.777 1.00 53.20 C ATOM 1306 C LEU A 83 12.054 5.431 -2.202 1.00 72.41 C ATOM 1307 O LEU A 83 11.865 6.403 -2.927 1.00 74.22 O ATOM 1308 CB LEU A 83 10.214 5.103 -0.497 1.00 43.51 C ATOM 1309 CG LEU A 83 8.688 5.200 -0.621 1.00 34.42 C ATOM 1310 CD1 LEU A 83 8.069 5.558 0.733 1.00 73.34 C ATOM 1311 CD2 LEU A 83 8.274 6.281 -1.616 1.00 54.15 C ATOM 0 H LEU A 83 10.993 2.784 -0.653 1.00 25.31 H new ATOM 0 HA LEU A 83 10.158 4.568 -2.601 1.00 53.20 H new ATOM 0 HB2 LEU A 83 10.468 4.462 0.347 1.00 43.51 H new ATOM 0 HB3 LEU A 83 10.622 6.090 -0.282 1.00 43.51 H new ATOM 0 HG LEU A 83 8.335 4.229 -0.967 1.00 34.42 H new ATOM 0 HD11 LEU A 83 6.986 5.624 0.632 1.00 73.34 H new ATOM 0 HD12 LEU A 83 8.319 4.788 1.462 1.00 73.34 H new ATOM 0 HD13 LEU A 83 8.461 6.518 1.070 1.00 73.34 H new ATOM 0 HD21 LEU A 83 7.187 6.321 -1.678 1.00 54.15 H new ATOM 0 HD22 LEU A 83 8.654 7.247 -1.283 1.00 54.15 H new ATOM 0 HD23 LEU A 83 8.685 6.048 -2.598 1.00 54.15 H new ATOM 1323 N LYS A 84 13.270 5.132 -1.748 1.00 43.43 N ATOM 1324 CA LYS A 84 14.478 5.900 -2.031 1.00 5.54 C ATOM 1325 C LYS A 84 15.403 5.138 -2.977 1.00 4.14 C ATOM 1326 O LYS A 84 16.072 5.769 -3.789 1.00 52.35 O ATOM 1327 CB LYS A 84 15.120 6.314 -0.692 1.00 32.23 C ATOM 1328 CG LYS A 84 16.633 6.551 -0.806 1.00 73.22 C ATOM 1329 CD LYS A 84 17.312 6.943 0.510 1.00 2.40 C ATOM 1330 CE LYS A 84 18.794 7.168 0.186 1.00 33.15 C ATOM 1331 NZ LYS A 84 19.649 7.366 1.373 1.00 5.51 N ATOM 0 H LYS A 84 13.446 4.322 -1.154 1.00 43.43 H new ATOM 0 HA LYS A 84 14.242 6.818 -2.569 1.00 5.54 H new ATOM 0 HB2 LYS A 84 14.641 7.224 -0.330 1.00 32.23 H new ATOM 0 HB3 LYS A 84 14.933 5.538 0.051 1.00 32.23 H new ATOM 0 HG2 LYS A 84 17.103 5.644 -1.187 1.00 73.22 H new ATOM 0 HG3 LYS A 84 16.811 7.336 -1.541 1.00 73.22 H new ATOM 0 HD2 LYS A 84 16.864 7.847 0.923 1.00 2.40 H new ATOM 0 HD3 LYS A 84 17.193 6.158 1.257 1.00 2.40 H new ATOM 0 HE2 LYS A 84 19.165 6.312 -0.377 1.00 33.15 H new ATOM 0 HE3 LYS A 84 18.884 8.039 -0.463 1.00 33.15 H new ATOM 0 HZ1 LYS A 84 20.634 7.511 1.071 1.00 5.51 H new ATOM 0 HZ2 LYS A 84 19.322 8.200 1.901 1.00 5.51 H new ATOM 0 HZ3 LYS A 84 19.594 6.526 1.984 1.00 5.51 H new ATOM 1345 N GLU A 85 15.470 3.816 -2.888 1.00 22.44 N ATOM 1346 CA GLU A 85 16.240 3.004 -3.821 1.00 63.31 C ATOM 1347 C GLU A 85 15.737 3.247 -5.239 1.00 15.51 C ATOM 1348 O GLU A 85 16.527 3.554 -6.128 1.00 24.14 O ATOM 1349 CB GLU A 85 16.145 1.517 -3.476 1.00 51.25 C ATOM 1350 CG GLU A 85 16.722 1.191 -2.098 1.00 64.45 C ATOM 1351 CD GLU A 85 16.495 -0.269 -1.715 1.00 64.21 C ATOM 1352 OE1 GLU A 85 16.826 -1.156 -2.536 1.00 22.14 O ATOM 1353 OE2 GLU A 85 16.116 -0.543 -0.551 1.00 63.42 O ATOM 0 H GLU A 85 14.992 3.276 -2.167 1.00 22.44 H new ATOM 0 HA GLU A 85 17.288 3.295 -3.748 1.00 63.31 H new ATOM 0 HB2 GLU A 85 15.101 1.207 -3.510 1.00 51.25 H new ATOM 0 HB3 GLU A 85 16.675 0.938 -4.233 1.00 51.25 H new ATOM 0 HG2 GLU A 85 17.791 1.406 -2.092 1.00 64.45 H new ATOM 0 HG3 GLU A 85 16.263 1.838 -1.350 1.00 64.45 H new ATOM 1360 N GLU A 86 14.425 3.118 -5.441 1.00 44.22 N ATOM 1361 CA GLU A 86 13.816 3.201 -6.753 1.00 50.43 C ATOM 1362 C GLU A 86 13.586 4.680 -7.084 1.00 54.40 C ATOM 1363 O GLU A 86 14.350 5.250 -7.860 1.00 30.42 O ATOM 1364 CB GLU A 86 12.533 2.348 -6.812 1.00 15.11 C ATOM 1365 CG GLU A 86 12.664 0.914 -6.261 1.00 53.34 C ATOM 1366 CD GLU A 86 13.619 0.004 -7.041 1.00 74.33 C ATOM 1367 OE1 GLU A 86 13.366 -0.273 -8.241 1.00 50.02 O ATOM 1368 OE2 GLU A 86 14.559 -0.560 -6.441 1.00 14.00 O ATOM 0 H GLU A 86 13.757 2.952 -4.688 1.00 44.22 H new ATOM 0 HA GLU A 86 14.474 2.786 -7.516 1.00 50.43 H new ATOM 0 HB2 GLU A 86 11.750 2.862 -6.255 1.00 15.11 H new ATOM 0 HB3 GLU A 86 12.202 2.291 -7.849 1.00 15.11 H new ATOM 0 HG2 GLU A 86 13.002 0.968 -5.226 1.00 53.34 H new ATOM 0 HG3 GLU A 86 11.676 0.454 -6.250 1.00 53.34 H new ATOM 1375 N LEU A 87 12.582 5.330 -6.475 1.00 4.44 N ATOM 1376 CA LEU A 87 12.167 6.682 -6.875 1.00 70.51 C ATOM 1377 C LEU A 87 13.180 7.749 -6.475 1.00 62.04 C ATOM 1378 O LEU A 87 13.258 8.784 -7.131 1.00 42.12 O ATOM 1379 CB LEU A 87 10.814 7.079 -6.255 1.00 51.11 C ATOM 1380 CG LEU A 87 9.638 6.138 -6.540 1.00 72.04 C ATOM 1381 CD1 LEU A 87 8.395 6.632 -5.798 1.00 62.11 C ATOM 1382 CD2 LEU A 87 9.313 5.996 -8.024 1.00 12.13 C ATOM 0 H LEU A 87 12.042 4.940 -5.703 1.00 4.44 H new ATOM 0 HA LEU A 87 12.088 6.638 -7.961 1.00 70.51 H new ATOM 0 HB2 LEU A 87 10.940 7.152 -5.175 1.00 51.11 H new ATOM 0 HB3 LEU A 87 10.551 8.074 -6.614 1.00 51.11 H new ATOM 0 HG LEU A 87 9.940 5.152 -6.188 1.00 72.04 H new ATOM 0 HD11 LEU A 87 7.560 5.962 -6.001 1.00 62.11 H new ATOM 0 HD12 LEU A 87 8.594 6.649 -4.726 1.00 62.11 H new ATOM 0 HD13 LEU A 87 8.145 7.637 -6.137 1.00 62.11 H new ATOM 0 HD21 LEU A 87 8.471 5.315 -8.149 1.00 12.13 H new ATOM 0 HD22 LEU A 87 9.055 6.972 -8.435 1.00 12.13 H new ATOM 0 HD23 LEU A 87 10.181 5.599 -8.550 1.00 12.13 H new ATOM 1394 N GLY A 88 13.919 7.547 -5.381 1.00 74.13 N ATOM 1395 CA GLY A 88 14.732 8.600 -4.787 1.00 73.31 C ATOM 1396 C GLY A 88 13.882 9.609 -4.013 1.00 52.20 C ATOM 1397 O GLY A 88 14.197 10.798 -4.022 1.00 4.44 O ATOM 0 H GLY A 88 13.968 6.655 -4.889 1.00 74.13 H new ATOM 0 HA2 GLY A 88 15.468 8.156 -4.117 1.00 73.31 H new ATOM 0 HA3 GLY A 88 15.285 9.117 -5.571 1.00 73.31 H new ATOM 1401 N PHE A 89 12.799 9.172 -3.356 1.00 71.25 N ATOM 1402 CA PHE A 89 11.961 10.078 -2.564 1.00 72.53 C ATOM 1403 C PHE A 89 12.650 10.661 -1.326 1.00 64.53 C ATOM 1404 O PHE A 89 12.291 11.748 -0.872 1.00 14.35 O ATOM 1405 CB PHE A 89 10.592 9.439 -2.270 1.00 63.44 C ATOM 1406 CG PHE A 89 9.904 9.964 -1.027 1.00 40.51 C ATOM 1407 CD1 PHE A 89 10.195 9.360 0.207 1.00 5.12 C ATOM 1408 CD2 PHE A 89 9.089 11.109 -1.072 1.00 30.12 C ATOM 1409 CE1 PHE A 89 9.744 9.931 1.406 1.00 54.15 C ATOM 1410 CE2 PHE A 89 8.593 11.657 0.125 1.00 60.01 C ATOM 1411 CZ PHE A 89 8.933 11.080 1.364 1.00 13.25 C ATOM 0 H PHE A 89 12.485 8.202 -3.358 1.00 71.25 H new ATOM 0 HA PHE A 89 11.783 10.958 -3.183 1.00 72.53 H new ATOM 0 HB2 PHE A 89 9.938 9.602 -3.127 1.00 63.44 H new ATOM 0 HB3 PHE A 89 10.723 8.362 -2.169 1.00 63.44 H new ATOM 0 HD1 PHE A 89 10.772 8.447 0.233 1.00 5.12 H new ATOM 0 HD2 PHE A 89 8.845 11.565 -2.020 1.00 30.12 H new ATOM 0 HE1 PHE A 89 10.017 9.492 2.354 1.00 54.15 H new ATOM 0 HE2 PHE A 89 7.949 12.523 0.094 1.00 60.01 H new ATOM 0 HZ PHE A 89 8.571 11.519 2.282 1.00 13.25 H new ATOM 1567 N ARG A 100 -1.076 11.742 8.752 1.00 71.12 N ATOM 1568 CA ARG A 100 -1.855 11.805 7.521 1.00 53.53 C ATOM 1569 C ARG A 100 -1.088 11.386 6.270 1.00 50.53 C ATOM 1570 O ARG A 100 -1.688 11.361 5.199 1.00 31.21 O ATOM 1571 CB ARG A 100 -2.411 13.231 7.318 1.00 43.11 C ATOM 1572 CG ARG A 100 -3.842 13.178 6.770 1.00 1.53 C ATOM 1573 CD ARG A 100 -4.269 14.481 6.085 1.00 62.00 C ATOM 1574 NE ARG A 100 -5.321 15.209 6.812 1.00 74.20 N ATOM 1575 CZ ARG A 100 -6.279 15.965 6.257 1.00 32.04 C ATOM 1576 NH1 ARG A 100 -6.369 16.108 4.938 1.00 70.55 N ATOM 1577 NH2 ARG A 100 -7.166 16.613 7.003 1.00 42.53 N ATOM 0 HA ARG A 100 -2.662 11.083 7.649 1.00 53.53 H new ATOM 0 HB2 ARG A 100 -2.398 13.771 8.265 1.00 43.11 H new ATOM 0 HB3 ARG A 100 -1.772 13.782 6.628 1.00 43.11 H new ATOM 0 HG2 ARG A 100 -3.923 12.356 6.058 1.00 1.53 H new ATOM 0 HG3 ARG A 100 -4.530 12.961 7.587 1.00 1.53 H new ATOM 0 HD2 ARG A 100 -3.398 15.128 5.978 1.00 62.00 H new ATOM 0 HD3 ARG A 100 -4.624 14.254 5.080 1.00 62.00 H new ATOM 0 HE ARG A 100 -5.321 15.132 7.829 1.00 74.20 H new ATOM 0 HH11 ARG A 100 -5.701 15.638 4.327 1.00 70.55 H new ATOM 0 HH12 ARG A 100 -7.106 16.688 4.537 1.00 70.55 H new ATOM 0 HH21 ARG A 100 -7.127 16.541 8.020 1.00 42.53 H new ATOM 0 HH22 ARG A 100 -7.886 17.183 6.559 1.00 42.53 H new ATOM 1591 N LYS A 101 0.222 11.144 6.363 1.00 74.24 N ATOM 1592 CA LYS A 101 1.064 10.955 5.195 1.00 23.23 C ATOM 1593 C LYS A 101 2.082 9.854 5.402 1.00 33.13 C ATOM 1594 O LYS A 101 2.426 9.113 4.487 1.00 40.54 O ATOM 1595 CB LYS A 101 1.680 12.314 4.850 1.00 32.43 C ATOM 1596 CG LYS A 101 3.039 12.686 5.454 1.00 43.13 C ATOM 1597 CD LYS A 101 4.203 12.007 4.717 1.00 12.30 C ATOM 1598 CE LYS A 101 5.397 12.953 4.657 1.00 12.12 C ATOM 1599 NZ LYS A 101 6.040 13.099 5.972 1.00 53.34 N ATOM 0 H LYS A 101 0.721 11.075 7.250 1.00 74.24 H new ATOM 0 HA LYS A 101 0.476 10.610 4.345 1.00 23.23 H new ATOM 0 HB2 LYS A 101 1.776 12.367 3.765 1.00 32.43 H new ATOM 0 HB3 LYS A 101 0.967 13.084 5.145 1.00 32.43 H new ATOM 0 HG2 LYS A 101 3.168 13.768 5.417 1.00 43.13 H new ATOM 0 HG3 LYS A 101 3.059 12.399 6.505 1.00 43.13 H new ATOM 0 HD2 LYS A 101 4.482 11.086 5.229 1.00 12.30 H new ATOM 0 HD3 LYS A 101 3.895 11.730 3.709 1.00 12.30 H new ATOM 0 HE2 LYS A 101 6.123 12.578 3.936 1.00 12.12 H new ATOM 0 HE3 LYS A 101 5.070 13.930 4.301 1.00 12.12 H new ATOM 0 HZ1 LYS A 101 6.848 13.749 5.893 1.00 53.34 H new ATOM 0 HZ2 LYS A 101 5.353 13.481 6.654 1.00 53.34 H new ATOM 0 HZ3 LYS A 101 6.374 12.170 6.300 1.00 53.34 H new ATOM 1613 N THR A 102 2.597 9.739 6.619 1.00 3.22 N ATOM 1614 CA THR A 102 3.482 8.640 6.997 1.00 24.43 C ATOM 1615 C THR A 102 2.773 7.292 6.813 1.00 61.11 C ATOM 1616 O THR A 102 3.409 6.324 6.383 1.00 3.21 O ATOM 1617 CB THR A 102 3.951 8.789 8.450 1.00 71.32 C ATOM 1618 OG1 THR A 102 2.845 8.915 9.316 1.00 21.41 O ATOM 1619 CG2 THR A 102 4.899 9.980 8.629 1.00 51.02 C ATOM 0 H THR A 102 2.415 10.402 7.372 1.00 3.22 H new ATOM 0 HA THR A 102 4.355 8.673 6.346 1.00 24.43 H new ATOM 0 HB THR A 102 4.505 7.885 8.704 1.00 71.32 H new ATOM 0 HG1 THR A 102 3.161 9.007 10.239 1.00 21.41 H new ATOM 0 HG21 THR A 102 5.206 10.047 9.673 1.00 51.02 H new ATOM 0 HG22 THR A 102 5.779 9.842 8.000 1.00 51.02 H new ATOM 0 HG23 THR A 102 4.388 10.899 8.341 1.00 51.02 H new ATOM 1627 N ARG A 103 1.457 7.218 7.089 1.00 71.32 N ATOM 1628 CA ARG A 103 0.703 5.998 6.807 1.00 33.42 C ATOM 1629 C ARG A 103 0.739 5.716 5.308 1.00 72.44 C ATOM 1630 O ARG A 103 0.998 4.577 4.918 1.00 23.03 O ATOM 1631 CB ARG A 103 -0.740 6.087 7.327 1.00 31.30 C ATOM 1632 CG ARG A 103 -0.894 6.199 8.851 1.00 43.30 C ATOM 1633 CD ARG A 103 -0.330 5.009 9.627 1.00 72.43 C ATOM 1634 NE ARG A 103 1.034 5.290 10.102 1.00 14.42 N ATOM 1635 CZ ARG A 103 1.978 4.394 10.392 1.00 2.33 C ATOM 1636 NH1 ARG A 103 1.800 3.097 10.164 1.00 24.23 N ATOM 1637 NH2 ARG A 103 3.115 4.802 10.932 1.00 12.24 N ATOM 0 H ARG A 103 0.910 7.975 7.498 1.00 71.32 H new ATOM 0 HA ARG A 103 1.172 5.168 7.336 1.00 33.42 H new ATOM 0 HB2 ARG A 103 -1.219 6.951 6.868 1.00 31.30 H new ATOM 0 HB3 ARG A 103 -1.283 5.204 6.989 1.00 31.30 H new ATOM 0 HG2 ARG A 103 -0.396 7.108 9.189 1.00 43.30 H new ATOM 0 HG3 ARG A 103 -1.952 6.307 9.091 1.00 43.30 H new ATOM 0 HD2 ARG A 103 -0.976 4.784 10.476 1.00 72.43 H new ATOM 0 HD3 ARG A 103 -0.322 4.125 8.990 1.00 72.43 H new ATOM 0 HE ARG A 103 1.283 6.272 10.222 1.00 14.42 H new ATOM 0 HH11 ARG A 103 0.925 2.766 9.758 1.00 24.23 H new ATOM 0 HH12 ARG A 103 2.539 2.432 10.395 1.00 24.23 H new ATOM 0 HH21 ARG A 103 3.262 5.793 11.122 1.00 12.24 H new ATOM 0 HH22 ARG A 103 3.844 4.125 11.158 1.00 12.24 H new ATOM 1651 N ARG A 104 0.558 6.733 4.459 1.00 41.42 N ATOM 1652 CA ARG A 104 0.689 6.555 3.022 1.00 41.13 C ATOM 1653 C ARG A 104 2.077 6.051 2.674 1.00 32.43 C ATOM 1654 O ARG A 104 2.162 4.998 2.054 1.00 4.02 O ATOM 1655 CB ARG A 104 0.264 7.792 2.197 1.00 60.42 C ATOM 1656 CG ARG A 104 -0.951 7.522 1.280 1.00 22.45 C ATOM 1657 CD ARG A 104 -0.875 6.149 0.569 1.00 63.01 C ATOM 1658 NE ARG A 104 -1.347 6.117 -0.827 1.00 43.03 N ATOM 1659 CZ ARG A 104 -1.362 5.023 -1.603 1.00 71.34 C ATOM 1660 NH1 ARG A 104 -0.796 3.897 -1.178 1.00 22.25 N ATOM 1661 NH2 ARG A 104 -1.909 5.060 -2.815 1.00 22.01 N ATOM 0 H ARG A 104 0.321 7.682 4.748 1.00 41.42 H new ATOM 0 HA ARG A 104 -0.027 5.787 2.729 1.00 41.13 H new ATOM 0 HB2 ARG A 104 0.024 8.609 2.877 1.00 60.42 H new ATOM 0 HB3 ARG A 104 1.106 8.121 1.587 1.00 60.42 H new ATOM 0 HG2 ARG A 104 -1.865 7.569 1.873 1.00 22.45 H new ATOM 0 HG3 ARG A 104 -1.017 8.311 0.530 1.00 22.45 H new ATOM 0 HD2 ARG A 104 0.160 5.808 0.589 1.00 63.01 H new ATOM 0 HD3 ARG A 104 -1.458 5.431 1.145 1.00 63.01 H new ATOM 0 HE ARG A 104 -1.687 6.989 -1.232 1.00 43.03 H new ATOM 0 HH11 ARG A 104 -0.350 3.865 -0.261 1.00 22.25 H new ATOM 0 HH12 ARG A 104 -0.808 3.066 -1.769 1.00 22.25 H new ATOM 0 HH21 ARG A 104 -2.322 5.926 -3.162 1.00 22.01 H new ATOM 0 HH22 ARG A 104 -1.915 4.223 -3.397 1.00 22.01 H new ATOM 1675 N ALA A 105 3.158 6.706 3.098 1.00 62.42 N ATOM 1676 CA ALA A 105 4.494 6.293 2.705 1.00 74.22 C ATOM 1677 C ALA A 105 4.858 4.869 3.160 1.00 31.11 C ATOM 1678 O ALA A 105 5.592 4.193 2.434 1.00 52.21 O ATOM 1679 CB ALA A 105 5.479 7.336 3.201 1.00 12.52 C ATOM 0 H ALA A 105 3.129 7.521 3.711 1.00 62.42 H new ATOM 0 HA ALA A 105 4.536 6.237 1.617 1.00 74.22 H new ATOM 0 HB1 ALA A 105 6.490 7.046 2.917 1.00 12.52 H new ATOM 0 HB2 ALA A 105 5.240 8.302 2.757 1.00 12.52 H new ATOM 0 HB3 ALA A 105 5.415 7.410 4.287 1.00 12.52 H new ATOM 1685 N THR A 106 4.311 4.367 4.279 1.00 74.51 N ATOM 1686 CA THR A 106 4.382 2.944 4.617 1.00 70.22 C ATOM 1687 C THR A 106 3.903 2.103 3.424 1.00 51.33 C ATOM 1688 O THR A 106 4.643 1.238 2.945 1.00 55.42 O ATOM 1689 CB THR A 106 3.565 2.644 5.893 1.00 10.55 C ATOM 1690 OG1 THR A 106 4.215 3.082 7.072 1.00 12.50 O ATOM 1691 CG2 THR A 106 3.226 1.163 6.085 1.00 74.50 C ATOM 0 H THR A 106 3.813 4.933 4.966 1.00 74.51 H new ATOM 0 HA THR A 106 5.417 2.676 4.828 1.00 70.22 H new ATOM 0 HB THR A 106 2.642 3.202 5.734 1.00 10.55 H new ATOM 0 HG1 THR A 106 3.658 2.871 7.850 1.00 12.50 H new ATOM 0 HG21 THR A 106 2.652 1.037 7.003 1.00 74.50 H new ATOM 0 HG22 THR A 106 2.637 0.812 5.238 1.00 74.50 H new ATOM 0 HG23 THR A 106 4.147 0.584 6.151 1.00 74.50 H new ATOM 1699 N MET A 107 2.674 2.355 2.962 1.00 14.11 N ATOM 1700 CA MET A 107 2.052 1.648 1.852 1.00 61.21 C ATOM 1701 C MET A 107 2.845 1.866 0.569 1.00 63.35 C ATOM 1702 O MET A 107 3.025 0.929 -0.200 1.00 44.43 O ATOM 1703 CB MET A 107 0.615 2.138 1.638 1.00 20.34 C ATOM 1704 CG MET A 107 -0.323 1.884 2.824 1.00 41.11 C ATOM 1705 SD MET A 107 -1.564 3.184 3.056 1.00 4.34 S ATOM 1706 CE MET A 107 -2.803 2.822 1.784 1.00 42.32 C ATOM 0 H MET A 107 2.074 3.076 3.364 1.00 14.11 H new ATOM 0 HA MET A 107 2.040 0.586 2.097 1.00 61.21 H new ATOM 0 HB2 MET A 107 0.636 3.208 1.429 1.00 20.34 H new ATOM 0 HB3 MET A 107 0.205 1.649 0.755 1.00 20.34 H new ATOM 0 HG2 MET A 107 -0.830 0.930 2.678 1.00 41.11 H new ATOM 0 HG3 MET A 107 0.271 1.793 3.734 1.00 41.11 H new ATOM 0 HE1 MET A 107 -3.729 3.346 2.019 1.00 42.32 H new ATOM 0 HE2 MET A 107 -2.435 3.153 0.813 1.00 42.32 H new ATOM 0 HE3 MET A 107 -2.991 1.749 1.754 1.00 42.32 H new ATOM 1716 N THR A 108 3.319 3.082 0.312 1.00 43.32 N ATOM 1717 CA THR A 108 4.025 3.413 -0.913 1.00 44.54 C ATOM 1718 C THR A 108 5.293 2.555 -1.045 1.00 11.20 C ATOM 1719 O THR A 108 5.514 1.987 -2.108 1.00 54.13 O ATOM 1720 CB THR A 108 4.227 4.939 -0.992 1.00 31.44 C ATOM 1721 OG1 THR A 108 3.007 5.578 -0.648 1.00 31.35 O ATOM 1722 CG2 THR A 108 4.598 5.403 -2.399 1.00 22.33 C ATOM 0 H THR A 108 3.221 3.868 0.955 1.00 43.32 H new ATOM 0 HA THR A 108 3.438 3.158 -1.795 1.00 44.54 H new ATOM 0 HB THR A 108 5.038 5.195 -0.311 1.00 31.44 H new ATOM 0 HG1 THR A 108 2.847 5.481 0.314 1.00 31.35 H new ATOM 0 HG21 THR A 108 4.729 6.485 -2.402 1.00 22.33 H new ATOM 0 HG22 THR A 108 5.527 4.924 -2.707 1.00 22.33 H new ATOM 0 HG23 THR A 108 3.802 5.132 -3.093 1.00 22.33 H new ATOM 1730 N ASN A 109 6.066 2.337 0.030 1.00 11.20 N ATOM 1731 CA ASN A 109 7.192 1.395 -0.004 1.00 43.43 C ATOM 1732 C ASN A 109 6.736 -0.034 -0.309 1.00 51.21 C ATOM 1733 O ASN A 109 7.408 -0.753 -1.046 1.00 12.22 O ATOM 1734 CB ASN A 109 7.968 1.383 1.318 1.00 13.34 C ATOM 1735 CG ASN A 109 9.347 0.756 1.118 1.00 65.03 C ATOM 1736 OD1 ASN A 109 10.295 1.464 0.800 1.00 33.23 O ATOM 1737 ND2 ASN A 109 9.492 -0.550 1.287 1.00 24.31 N ATOM 0 H ASN A 109 5.932 2.799 0.929 1.00 11.20 H new ATOM 0 HA ASN A 109 7.844 1.745 -0.805 1.00 43.43 H new ATOM 0 HB2 ASN A 109 8.075 2.400 1.694 1.00 13.34 H new ATOM 0 HB3 ASN A 109 7.412 0.822 2.069 1.00 13.34 H new ATOM 0 HD21 ASN A 109 10.405 -0.983 1.152 1.00 24.31 H new ATOM 0 HD22 ASN A 109 8.690 -1.122 1.552 1.00 24.31 H new ATOM 1744 N TRP A 110 5.614 -0.464 0.281 1.00 70.55 N ATOM 1745 CA TRP A 110 5.062 -1.794 0.028 1.00 12.45 C ATOM 1746 C TRP A 110 4.655 -1.941 -1.434 1.00 34.02 C ATOM 1747 O TRP A 110 4.842 -3.019 -1.976 1.00 4.11 O ATOM 1748 CB TRP A 110 3.877 -2.127 0.948 1.00 2.12 C ATOM 1749 CG TRP A 110 3.162 -3.407 0.612 1.00 73.11 C ATOM 1750 CD1 TRP A 110 3.437 -4.640 1.105 1.00 11.11 C ATOM 1751 CD2 TRP A 110 2.041 -3.594 -0.310 1.00 64.21 C ATOM 1752 NE1 TRP A 110 2.547 -5.559 0.579 1.00 71.31 N ATOM 1753 CE2 TRP A 110 1.678 -4.971 -0.310 1.00 41.31 C ATOM 1754 CE3 TRP A 110 1.285 -2.738 -1.141 1.00 61.51 C ATOM 1755 CZ2 TRP A 110 0.630 -5.471 -1.093 1.00 51.03 C ATOM 1756 CZ3 TRP A 110 0.236 -3.235 -1.940 1.00 33.41 C ATOM 1757 CH2 TRP A 110 -0.095 -4.599 -1.917 1.00 0.33 C ATOM 0 H TRP A 110 5.071 0.095 0.939 1.00 70.55 H new ATOM 0 HA TRP A 110 5.854 -2.509 0.252 1.00 12.45 H new ATOM 0 HB2 TRP A 110 4.237 -2.187 1.975 1.00 2.12 H new ATOM 0 HB3 TRP A 110 3.162 -1.306 0.908 1.00 2.12 H new ATOM 0 HD1 TRP A 110 4.230 -4.869 1.802 1.00 11.11 H new ATOM 0 HE1 TRP A 110 2.537 -6.550 0.821 1.00 71.31 H new ATOM 0 HE3 TRP A 110 1.515 -1.683 -1.165 1.00 61.51 H new ATOM 0 HZ2 TRP A 110 0.382 -6.522 -1.062 1.00 51.03 H new ATOM 0 HZ3 TRP A 110 -0.318 -2.560 -2.576 1.00 33.41 H new ATOM 0 HH2 TRP A 110 -0.902 -4.974 -2.529 1.00 0.33 H new ATOM 1768 N LEU A 111 4.146 -0.896 -2.095 1.00 25.14 N ATOM 1769 CA LEU A 111 3.729 -0.996 -3.490 1.00 50.10 C ATOM 1770 C LEU A 111 4.922 -1.420 -4.352 1.00 43.45 C ATOM 1771 O LEU A 111 4.789 -2.369 -5.126 1.00 42.34 O ATOM 1772 CB LEU A 111 3.056 0.304 -3.974 1.00 30.04 C ATOM 1773 CG LEU A 111 1.650 0.538 -3.375 1.00 5.52 C ATOM 1774 CD1 LEU A 111 1.193 1.987 -3.572 1.00 20.10 C ATOM 1775 CD2 LEU A 111 0.573 -0.364 -3.986 1.00 15.51 C ATOM 0 H LEU A 111 4.014 0.028 -1.683 1.00 25.14 H new ATOM 0 HA LEU A 111 2.965 -1.768 -3.586 1.00 50.10 H new ATOM 0 HB2 LEU A 111 3.695 1.150 -3.719 1.00 30.04 H new ATOM 0 HB3 LEU A 111 2.978 0.279 -5.061 1.00 30.04 H new ATOM 0 HG LEU A 111 1.756 0.300 -2.317 1.00 5.52 H new ATOM 0 HD11 LEU A 111 0.201 2.118 -3.140 1.00 20.10 H new ATOM 0 HD12 LEU A 111 1.895 2.660 -3.080 1.00 20.10 H new ATOM 0 HD13 LEU A 111 1.157 2.216 -4.637 1.00 20.10 H new ATOM 0 HD21 LEU A 111 -0.389 -0.148 -3.521 1.00 15.51 H new ATOM 0 HD22 LEU A 111 0.508 -0.178 -5.058 1.00 15.51 H new ATOM 0 HD23 LEU A 111 0.833 -1.409 -3.814 1.00 15.51 H new ATOM 1787 N LEU A 112 6.107 -0.816 -4.171 1.00 4.23 N ATOM 1788 CA LEU A 112 7.322 -1.313 -4.814 1.00 43.44 C ATOM 1789 C LEU A 112 7.605 -2.751 -4.380 1.00 43.30 C ATOM 1790 O LEU A 112 7.856 -3.609 -5.220 1.00 25.43 O ATOM 1791 CB LEU A 112 8.565 -0.471 -4.490 1.00 1.43 C ATOM 1792 CG LEU A 112 8.654 0.975 -4.990 1.00 25.43 C ATOM 1793 CD1 LEU A 112 8.344 1.061 -6.489 1.00 44.24 C ATOM 1794 CD2 LEU A 112 7.848 1.928 -4.103 1.00 35.31 C ATOM 0 H LEU A 112 6.244 0.010 -3.589 1.00 4.23 H new ATOM 0 HA LEU A 112 7.135 -1.253 -5.886 1.00 43.44 H new ATOM 0 HB2 LEU A 112 8.669 -0.447 -3.405 1.00 1.43 H new ATOM 0 HB3 LEU A 112 9.431 -1.005 -4.881 1.00 1.43 H new ATOM 0 HG LEU A 112 9.683 1.322 -4.896 1.00 25.43 H new ATOM 0 HD11 LEU A 112 8.415 2.098 -6.816 1.00 44.24 H new ATOM 0 HD12 LEU A 112 9.061 0.456 -7.044 1.00 44.24 H new ATOM 0 HD13 LEU A 112 7.336 0.690 -6.674 1.00 44.24 H new ATOM 0 HD21 LEU A 112 7.934 2.944 -4.488 1.00 35.31 H new ATOM 0 HD22 LEU A 112 6.800 1.627 -4.104 1.00 35.31 H new ATOM 0 HD23 LEU A 112 8.235 1.892 -3.085 1.00 35.31 H new ATOM 1806 N ALA A 113 7.587 -3.030 -3.074 1.00 45.02 N ATOM 1807 CA ALA A 113 7.968 -4.346 -2.570 1.00 73.42 C ATOM 1808 C ALA A 113 7.029 -5.450 -3.087 1.00 24.12 C ATOM 1809 O ALA A 113 7.437 -6.606 -3.182 1.00 44.52 O ATOM 1810 CB ALA A 113 8.012 -4.320 -1.037 1.00 52.15 C ATOM 0 H ALA A 113 7.314 -2.364 -2.352 1.00 45.02 H new ATOM 0 HA ALA A 113 8.963 -4.583 -2.946 1.00 73.42 H new ATOM 0 HB1 ALA A 113 8.297 -5.304 -0.664 1.00 52.15 H new ATOM 0 HB2 ALA A 113 8.742 -3.582 -0.706 1.00 52.15 H new ATOM 0 HB3 ALA A 113 7.028 -4.056 -0.649 1.00 52.15 H new ATOM 1816 N TYR A 114 5.779 -5.122 -3.411 1.00 63.14 N ATOM 1817 CA TYR A 114 4.827 -6.036 -4.009 1.00 51.04 C ATOM 1818 C TYR A 114 5.085 -6.172 -5.505 1.00 53.25 C ATOM 1819 O TYR A 114 5.187 -7.302 -5.976 1.00 0.32 O ATOM 1820 CB TYR A 114 3.385 -5.597 -3.734 1.00 44.51 C ATOM 1821 CG TYR A 114 2.372 -6.453 -4.476 1.00 51.22 C ATOM 1822 CD1 TYR A 114 2.341 -7.848 -4.275 1.00 55.42 C ATOM 1823 CD2 TYR A 114 1.535 -5.875 -5.447 1.00 52.12 C ATOM 1824 CE1 TYR A 114 1.502 -8.665 -5.054 1.00 54.13 C ATOM 1825 CE2 TYR A 114 0.658 -6.683 -6.196 1.00 43.43 C ATOM 1826 CZ TYR A 114 0.654 -8.087 -6.024 1.00 55.12 C ATOM 1827 OH TYR A 114 -0.193 -8.860 -6.759 1.00 34.41 O ATOM 0 H TYR A 114 5.398 -4.188 -3.258 1.00 63.14 H new ATOM 0 HA TYR A 114 4.963 -7.015 -3.549 1.00 51.04 H new ATOM 0 HB2 TYR A 114 3.189 -5.651 -2.663 1.00 44.51 H new ATOM 0 HB3 TYR A 114 3.262 -4.555 -4.028 1.00 44.51 H new ATOM 0 HD1 TYR A 114 2.967 -8.293 -3.516 1.00 55.42 H new ATOM 0 HD2 TYR A 114 1.565 -4.809 -5.619 1.00 52.12 H new ATOM 0 HE1 TYR A 114 1.506 -9.735 -4.910 1.00 54.13 H new ATOM 0 HE2 TYR A 114 -0.016 -6.228 -6.906 1.00 43.43 H new ATOM 0 HH TYR A 114 -0.701 -8.293 -7.377 1.00 34.41 H new ATOM 1837 N ARG A 115 5.211 -5.072 -6.272 1.00 20.42 N ATOM 1838 CA ARG A 115 5.460 -5.230 -7.712 1.00 41.01 C ATOM 1839 C ARG A 115 6.734 -6.026 -7.956 1.00 13.14 C ATOM 1840 O ARG A 115 6.759 -6.870 -8.840 1.00 64.00 O ATOM 1841 CB ARG A 115 5.436 -3.922 -8.533 1.00 33.30 C ATOM 1842 CG ARG A 115 6.395 -2.802 -8.093 1.00 75.40 C ATOM 1843 CD ARG A 115 7.160 -2.133 -9.239 1.00 13.41 C ATOM 1844 NE ARG A 115 8.292 -2.971 -9.662 1.00 5.35 N ATOM 1845 CZ ARG A 115 9.144 -2.718 -10.661 1.00 73.42 C ATOM 1846 NH1 ARG A 115 9.067 -1.588 -11.352 1.00 41.02 N ATOM 1847 NH2 ARG A 115 10.086 -3.605 -10.949 1.00 71.12 N ATOM 0 H ARG A 115 5.148 -4.110 -5.938 1.00 20.42 H new ATOM 0 HA ARG A 115 4.607 -5.794 -8.088 1.00 41.01 H new ATOM 0 HB2 ARG A 115 5.658 -4.170 -9.571 1.00 33.30 H new ATOM 0 HB3 ARG A 115 4.421 -3.527 -8.510 1.00 33.30 H new ATOM 0 HG2 ARG A 115 5.824 -2.041 -7.561 1.00 75.40 H new ATOM 0 HG3 ARG A 115 7.114 -3.214 -7.385 1.00 75.40 H new ATOM 0 HD2 ARG A 115 6.490 -1.965 -10.082 1.00 13.41 H new ATOM 0 HD3 ARG A 115 7.523 -1.156 -8.920 1.00 13.41 H new ATOM 0 HE ARG A 115 8.443 -3.834 -9.140 1.00 5.35 H new ATOM 0 HH11 ARG A 115 8.351 -0.898 -11.124 1.00 41.02 H new ATOM 0 HH12 ARG A 115 9.724 -1.409 -12.111 1.00 41.02 H new ATOM 0 HH21 ARG A 115 10.155 -4.469 -10.411 1.00 71.12 H new ATOM 0 HH22 ARG A 115 10.742 -3.424 -11.709 1.00 71.12 H new ATOM 1861 N ARG A 116 7.760 -5.832 -7.131 1.00 52.34 N ATOM 1862 CA ARG A 116 8.998 -6.592 -7.187 1.00 33.13 C ATOM 1863 C ARG A 116 8.803 -8.103 -7.063 1.00 63.03 C ATOM 1864 O ARG A 116 9.551 -8.857 -7.684 1.00 31.21 O ATOM 1865 CB ARG A 116 9.941 -6.068 -6.103 1.00 0.11 C ATOM 1866 CG ARG A 116 10.640 -4.751 -6.469 1.00 43.10 C ATOM 1867 CD ARG A 116 11.564 -4.956 -7.670 1.00 54.31 C ATOM 1868 NE ARG A 116 12.545 -3.862 -7.783 1.00 73.11 N ATOM 1869 CZ ARG A 116 13.870 -4.026 -7.863 1.00 32.40 C ATOM 1870 NH1 ARG A 116 14.380 -5.237 -8.062 1.00 52.23 N ATOM 1871 NH2 ARG A 116 14.705 -3.000 -7.777 1.00 2.23 N ATOM 0 H ARG A 116 7.750 -5.128 -6.393 1.00 52.34 H new ATOM 0 HA ARG A 116 9.431 -6.445 -8.176 1.00 33.13 H new ATOM 0 HB2 ARG A 116 9.376 -5.924 -5.182 1.00 0.11 H new ATOM 0 HB3 ARG A 116 10.698 -6.825 -5.897 1.00 0.11 H new ATOM 0 HG2 ARG A 116 9.896 -3.989 -6.700 1.00 43.10 H new ATOM 0 HG3 ARG A 116 11.215 -4.388 -5.617 1.00 43.10 H new ATOM 0 HD2 ARG A 116 12.087 -5.907 -7.571 1.00 54.31 H new ATOM 0 HD3 ARG A 116 10.971 -5.011 -8.583 1.00 54.31 H new ATOM 0 HE ARG A 116 12.186 -2.907 -7.802 1.00 73.11 H new ATOM 0 HH11 ARG A 116 13.761 -6.042 -8.154 1.00 52.23 H new ATOM 0 HH12 ARG A 116 15.391 -5.361 -8.123 1.00 52.23 H new ATOM 0 HH21 ARG A 116 14.341 -2.056 -7.646 1.00 2.23 H new ATOM 0 HH22 ARG A 116 15.711 -3.155 -7.841 1.00 2.23 H new ATOM 1885 N SER A 117 7.808 -8.557 -6.306 1.00 45.12 N ATOM 1886 CA SER A 117 7.490 -9.973 -6.183 1.00 41.23 C ATOM 1887 C SER A 117 6.788 -10.536 -7.438 1.00 4.53 C ATOM 1888 O SER A 117 6.484 -11.731 -7.461 1.00 11.24 O ATOM 1889 CB SER A 117 6.610 -10.188 -4.944 1.00 31.45 C ATOM 1890 OG SER A 117 7.405 -10.254 -3.773 1.00 30.33 O ATOM 0 H SER A 117 7.198 -7.949 -5.759 1.00 45.12 H new ATOM 0 HA SER A 117 8.430 -10.516 -6.079 1.00 41.23 H new ATOM 0 HB2 SER A 117 5.891 -9.374 -4.856 1.00 31.45 H new ATOM 0 HB3 SER A 117 6.037 -11.109 -5.054 1.00 31.45 H new ATOM 0 HG SER A 117 6.828 -10.390 -2.993 1.00 30.33 H new ATOM 1896 N GLN A 118 6.462 -9.724 -8.458 1.00 1.25 N ATOM 1897 CA GLN A 118 5.692 -10.199 -9.608 1.00 70.12 C ATOM 1898 C GLN A 118 6.568 -10.789 -10.706 1.00 3.40 C ATOM 1899 O GLN A 118 6.160 -11.765 -11.332 1.00 1.22 O ATOM 1900 CB GLN A 118 4.791 -9.093 -10.179 1.00 3.31 C ATOM 1901 CG GLN A 118 3.623 -8.784 -9.229 1.00 34.12 C ATOM 1902 CD GLN A 118 2.581 -7.802 -9.767 1.00 11.22 C ATOM 1903 OE1 GLN A 118 1.567 -7.563 -9.123 1.00 62.00 O ATOM 1904 NE2 GLN A 118 2.776 -7.138 -10.892 1.00 21.24 N ATOM 0 H GLN A 118 6.722 -8.739 -8.505 1.00 1.25 H new ATOM 0 HA GLN A 118 5.061 -11.004 -9.232 1.00 70.12 H new ATOM 0 HB2 GLN A 118 5.379 -8.190 -10.343 1.00 3.31 H new ATOM 0 HB3 GLN A 118 4.402 -9.401 -11.150 1.00 3.31 H new ATOM 0 HG2 GLN A 118 3.122 -9.720 -8.981 1.00 34.12 H new ATOM 0 HG3 GLN A 118 4.029 -8.384 -8.300 1.00 34.12 H new ATOM 0 HE21 GLN A 118 3.611 -7.315 -11.450 1.00 21.24 H new ATOM 0 HE22 GLN A 118 2.092 -6.448 -11.202 1.00 21.24 H new