USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1275 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 NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 173 CU1CU :(H bumps) USER MOD Set 1.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Set 2.1: A 123 HIS :FLIP no HE2:sc= 0.327 F(o=-0.48,f=0.72) USER MOD Set 2.2: A 126 SER OG : rot -46:sc= 0.391 USER MOD Set 3.1: A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 33 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Set 4.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 83 THR OG1 : rot 180:sc= 1.06 USER MOD Set 5.2: A 133 SER OG : rot 112:sc= 1.28 USER MOD Set 6.1: A 50 GLN : amide:sc= 0.681 K(o=1.5,f=0.4) USER MOD Set 6.2: A 53 SER OG : rot 129:sc= 0.796 USER MOD Set 7.1: A 27 SER OG : rot 180:sc= 0.0222 USER MOD Set 7.2: A 68 ASN : amide:sc= -0.179 K(o=-0.16,f=-7.8!) USER MOD Single : A 1 HIS :FLIP no HD1:sc= 0.39 F(o=-1.6,f=0.39) USER MOD Single : A 1 HIS N :NH3+ 138:sc= 0.201 (180deg=-1.07) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -98:sc= 1.26 USER MOD Single : A 22 ASN : amide:sc= 0.182 K(o=0.18,f=-3.1!) USER MOD Single : A 24 ASN : amide:sc= -0.0601 K(o=-0.06,f=-2.1!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00736) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : +bothHN:sc= -0.0922 K(o=-0.092,f=-3.1!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.00575 X(o=0.0058,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc=-0.00662 X(o=-0.0066,f=-0.1) USER MOD Single : A 75 MET CE :methyl -168:sc= -0.0806 (180deg=-0.257) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.33) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -17:sc= 0.261 USER MOD Single : A 91 ASN : amide:sc= 0.00756 X(o=0.0076,f=-0.38) USER MOD Single : A 92 THR OG1 : rot -124:sc= 0.306 USER MOD Single : A 93 SER OG : rot 138:sc= 0.0332 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -103:sc= 1.08 USER MOD Single : A 101 LYS NZ :NH3+ 170:sc= 0.0744 (180deg=0.0547) USER MOD Single : A 102 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.27) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc= -0.853 K(o=-0.85,f=-2.9!) USER MOD Single : A 134 HIS : no HD1:sc= 0.324 K(o=0.32,f=-2.1!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS :FLIP no HD1:sc= -0.16 F(o=-0.76,f=-0.16) USER MOD Single : A 157 THR OG1 : rot 96:sc= 0.126 USER MOD Single : A 159 ASN : amide:sc= 0.859 K(o=0.86,f=-3.7!) USER MOD Single : A 162 TYR OH : rot 30:sc= -0.0151 USER MOD Single : A 163 GLN : amide:sc= -0.372 K(o=-0.37,f=-1.9!) USER MOD Single : A 171 ASN : amide:sc=-0.00709 X(o=-0.0071,f=0) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -1.504 3.493 -3.671 1.00 25.00 N ATOM 2 CA HIS A 1 -0.396 3.975 -4.616 1.00 25.00 C ATOM 3 C HIS A 1 0.824 3.042 -4.649 1.00 25.00 C ATOM 4 O HIS A 1 1.134 2.282 -3.726 1.00 25.00 O ATOM 5 CB HIS A 1 0.011 5.371 -4.292 1.00 0.00 C ATOM 6 CG HIS A 1 0.978 5.455 -3.177 1.00 0.00 C ATOM 7 ND1 HIS A 1 2.272 5.834 -3.263 1.00 0.00 N flip ATOM 8 CD2 HIS A 1 0.687 5.175 -1.867 1.00 0.00 C flip ATOM 9 CE1 HIS A 1 2.830 5.885 -2.035 1.00 0.00 C flip ATOM 10 NE2 HIS A 1 1.864 5.437 -1.230 1.00 0.00 N flip ATOM 0 H1 HIS A 1 -1.886 4.303 -3.142 1.00 25.00 H new ATOM 0 H2 HIS A 1 -2.265 3.052 -4.225 1.00 25.00 H new ATOM 0 H3 HIS A 1 -1.113 2.797 -3.004 1.00 25.00 H new ATOM 0 HA HIS A 1 -0.822 3.956 -5.619 1.00 25.00 H new ATOM 0 HB2 HIS A 1 0.449 5.829 -5.179 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -0.876 5.951 -4.039 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -0.245 4.831 -1.444 1.00 0.00 H new ATOM 0 HE1 HIS A 1 3.824 6.211 -1.767 1.00 0.00 H new ATOM 0 HE2 HIS A 1 1.995 5.303 -0.227 1.00 0.00 H new ATOM 17 N GLY A 2 1.408 2.992 -5.805 1.00 25.00 N ATOM 18 CA GLY A 2 2.710 2.368 -6.134 1.00 25.00 C ATOM 19 C GLY A 2 3.451 3.174 -7.193 1.00 25.00 C ATOM 20 O GLY A 2 4.719 3.240 -7.226 1.00 25.00 O ATOM 0 H GLY A 2 0.975 3.412 -6.628 1.00 25.00 H new ATOM 0 HA2 GLY A 2 3.320 2.296 -5.234 1.00 25.00 H new ATOM 0 HA3 GLY A 2 2.550 1.351 -6.492 1.00 25.00 H new ATOM 24 N PHE A 3 2.700 3.789 -8.076 1.00 25.00 N ATOM 25 CA PHE A 3 3.190 4.526 -9.258 1.00 25.00 C ATOM 26 C PHE A 3 2.696 5.923 -9.219 1.00 25.00 C ATOM 27 O PHE A 3 1.587 6.143 -8.741 1.00 25.00 O ATOM 28 CB PHE A 3 2.786 3.841 -10.553 1.00 25.00 C ATOM 29 CG PHE A 3 2.881 2.338 -10.468 1.00 25.00 C ATOM 30 CD1 PHE A 3 4.152 1.720 -10.338 1.00 50.00 C ATOM 31 CD2 PHE A 3 1.692 1.573 -10.555 1.00 50.00 C ATOM 32 CE1 PHE A 3 4.233 0.282 -10.179 1.00 25.00 C ATOM 33 CE2 PHE A 3 1.775 0.136 -10.449 1.00 25.00 C ATOM 34 CZ PHE A 3 3.081 -0.530 -10.351 1.00 25.00 C ATOM 0 H PHE A 3 1.683 3.800 -8.003 1.00 25.00 H new ATOM 0 HA PHE A 3 4.280 4.535 -9.228 1.00 25.00 H new ATOM 0 HB2 PHE A 3 1.764 4.123 -10.805 1.00 25.00 H new ATOM 0 HB3 PHE A 3 3.424 4.197 -11.362 1.00 25.00 H new ATOM 0 HD1 PHE A 3 5.052 2.317 -10.357 1.00 50.00 H new ATOM 0 HD2 PHE A 3 0.738 2.058 -10.699 1.00 50.00 H new ATOM 0 HE1 PHE A 3 5.178 -0.176 -9.927 1.00 25.00 H new ATOM 0 HE2 PHE A 3 0.870 -0.454 -10.442 1.00 25.00 H new ATOM 0 HZ PHE A 3 3.162 -1.605 -10.408 1.00 25.00 H new ATOM 44 N ILE A 4 3.447 6.977 -9.575 1.00 25.00 N ATOM 45 CA ILE A 4 2.864 8.268 -9.739 1.00 25.00 C ATOM 46 C ILE A 4 2.815 8.362 -11.216 1.00 25.00 C ATOM 47 O ILE A 4 3.849 8.323 -11.812 1.00 25.00 O ATOM 48 CB ILE A 4 3.585 9.480 -9.026 1.00 25.00 C ATOM 49 CG1 ILE A 4 3.619 9.151 -7.526 1.00 25.00 C ATOM 50 CG2 ILE A 4 2.900 10.811 -9.228 1.00 25.00 C ATOM 51 CD1 ILE A 4 4.253 10.207 -6.568 1.00 25.00 C ATOM 0 H ILE A 4 4.451 6.936 -9.748 1.00 25.00 H new ATOM 0 HA ILE A 4 1.899 8.355 -9.239 1.00 25.00 H new ATOM 0 HB ILE A 4 4.577 9.592 -9.464 1.00 25.00 H new ATOM 0 HG12 ILE A 4 2.595 8.972 -7.198 1.00 25.00 H new ATOM 0 HG13 ILE A 4 4.162 8.214 -7.400 1.00 25.00 H new ATOM 0 HG21 ILE A 4 3.457 11.590 -8.707 1.00 25.00 H new ATOM 0 HG22 ILE A 4 2.861 11.043 -10.292 1.00 25.00 H new ATOM 0 HG23 ILE A 4 1.886 10.763 -8.830 1.00 25.00 H new ATOM 0 HD11 ILE A 4 4.208 9.841 -5.542 1.00 25.00 H new ATOM 0 HD12 ILE A 4 5.293 10.375 -6.848 1.00 25.00 H new ATOM 0 HD13 ILE A 4 3.701 11.144 -6.643 1.00 25.00 H new ATOM 63 N GLU A 5 1.653 8.557 -11.809 1.00 25.00 N ATOM 64 CA GLU A 5 1.472 8.520 -13.241 1.00 25.00 C ATOM 65 C GLU A 5 1.605 9.925 -13.899 1.00 25.00 C ATOM 66 O GLU A 5 2.216 10.040 -14.904 1.00 25.00 O ATOM 67 CB GLU A 5 0.062 8.032 -13.546 1.00 25.00 C ATOM 68 CG GLU A 5 -0.143 7.799 -15.091 1.00 25.00 C ATOM 69 CD GLU A 5 -1.529 7.293 -15.371 1.00 25.00 C ATOM 70 OE1 GLU A 5 -2.478 8.144 -15.386 1.00 25.00 O ATOM 71 OE2 GLU A 5 -1.668 6.099 -15.596 1.00 25.00 O1- ATOM 0 H GLU A 5 0.793 8.749 -11.295 1.00 25.00 H new ATOM 0 HA GLU A 5 2.245 7.863 -13.640 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -0.128 7.103 -13.008 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -0.663 8.762 -13.187 1.00 25.00 H new ATOM 0 HG2 GLU A 5 0.025 8.731 -15.630 1.00 25.00 H new ATOM 0 HG3 GLU A 5 0.592 7.082 -15.457 1.00 25.00 H new ATOM 78 N LYS A 6 1.047 10.934 -13.235 1.00 25.00 N ATOM 79 CA LYS A 6 1.069 12.324 -13.786 1.00 25.00 C ATOM 80 C LYS A 6 1.212 13.274 -12.581 1.00 25.00 C ATOM 81 O LYS A 6 0.793 12.851 -11.517 1.00 25.00 O ATOM 82 CB LYS A 6 -0.225 12.671 -14.513 1.00 25.00 C ATOM 83 CG LYS A 6 -0.632 11.866 -15.774 1.00 25.00 C ATOM 84 CD LYS A 6 0.386 11.965 -16.878 1.00 25.00 C ATOM 85 CE LYS A 6 0.112 10.987 -18.083 1.00 25.00 C ATOM 86 NZ LYS A 6 1.257 11.045 -19.011 1.00 25.00 N1+ ATOM 0 H LYS A 6 0.579 10.840 -12.333 1.00 25.00 H new ATOM 0 HA LYS A 6 1.887 12.415 -14.501 1.00 25.00 H new ATOM 0 HB2 LYS A 6 -1.038 12.582 -13.793 1.00 25.00 H new ATOM 0 HB3 LYS A 6 -0.167 13.721 -14.800 1.00 25.00 H new ATOM 0 HG2 LYS A 6 -0.768 10.819 -15.504 1.00 25.00 H new ATOM 0 HG3 LYS A 6 -1.593 12.229 -16.138 1.00 25.00 H new ATOM 0 HD2 LYS A 6 0.406 12.989 -17.250 1.00 25.00 H new ATOM 0 HD3 LYS A 6 1.374 11.755 -16.469 1.00 25.00 H new ATOM 0 HE2 LYS A 6 -0.028 9.969 -17.719 1.00 25.00 H new ATOM 0 HE3 LYS A 6 -0.806 11.270 -18.598 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 1.088 10.403 -19.812 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 1.369 12.017 -19.364 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 2.123 10.756 -18.513 1.00 25.00 H new ATOM 100 N PRO A 7 1.750 14.484 -12.700 1.00 25.00 N ATOM 101 CA PRO A 7 2.268 15.130 -13.922 1.00 25.00 C ATOM 102 C PRO A 7 3.601 14.507 -14.284 1.00 25.00 C ATOM 103 O PRO A 7 4.493 14.278 -13.475 1.00 25.00 O ATOM 104 CB PRO A 7 2.363 16.614 -13.502 1.00 25.00 C ATOM 105 CG PRO A 7 2.659 16.546 -12.068 1.00 25.00 C ATOM 106 CD PRO A 7 1.888 15.326 -11.520 1.00 25.00 C ATOM 0 HA PRO A 7 1.655 15.014 -14.816 1.00 25.00 H new ATOM 0 HB2 PRO A 7 3.148 17.137 -14.049 1.00 25.00 H new ATOM 0 HB3 PRO A 7 1.431 17.146 -13.695 1.00 25.00 H new ATOM 0 HG2 PRO A 7 3.730 16.437 -11.897 1.00 25.00 H new ATOM 0 HG3 PRO A 7 2.347 17.461 -11.564 1.00 25.00 H new ATOM 0 HD2 PRO A 7 2.437 14.823 -10.724 1.00 25.00 H new ATOM 0 HD3 PRO A 7 0.919 15.610 -11.108 1.00 25.00 H new ATOM 114 N GLY A 8 3.748 14.246 -15.569 1.00 25.00 N ATOM 115 CA GLY A 8 5.055 13.821 -16.053 1.00 25.00 C ATOM 116 C GLY A 8 5.641 12.514 -15.593 1.00 25.00 C ATOM 117 O GLY A 8 4.913 11.685 -15.086 1.00 25.00 O ATOM 0 H GLY A 8 3.014 14.315 -16.274 1.00 25.00 H new ATOM 0 HA2 GLY A 8 5.002 13.787 -17.141 1.00 25.00 H new ATOM 0 HA3 GLY A 8 5.767 14.604 -15.793 1.00 25.00 H new ATOM 121 N SER A 9 6.959 12.289 -15.745 1.00 25.00 N ATOM 122 CA SER A 9 7.570 11.040 -15.322 1.00 25.00 C ATOM 123 C SER A 9 8.551 11.264 -14.172 1.00 25.00 C ATOM 124 O SER A 9 9.540 11.962 -14.369 1.00 25.00 O ATOM 125 CB SER A 9 8.344 10.436 -16.457 1.00 25.00 C ATOM 126 OG SER A 9 9.014 9.231 -16.032 1.00 25.00 O ATOM 0 H SER A 9 7.609 12.959 -16.157 1.00 25.00 H new ATOM 0 HA SER A 9 6.764 10.380 -15.000 1.00 25.00 H new ATOM 0 HB2 SER A 9 7.671 10.211 -17.284 1.00 25.00 H new ATOM 0 HB3 SER A 9 9.076 11.154 -16.828 1.00 25.00 H new ATOM 0 HG SER A 9 9.512 8.851 -16.785 1.00 25.00 H new ATOM 132 N ARG A 10 8.294 10.710 -12.977 1.00 25.00 N ATOM 133 CA ARG A 10 9.173 10.884 -11.849 1.00 25.00 C ATOM 134 C ARG A 10 10.421 10.067 -12.051 1.00 25.00 C ATOM 135 O ARG A 10 11.478 10.384 -11.473 1.00 25.00 O ATOM 136 CB ARG A 10 8.482 10.582 -10.485 1.00 25.00 C ATOM 137 CG ARG A 10 8.044 9.156 -10.260 1.00 25.00 C ATOM 138 CD ARG A 10 7.593 8.881 -8.838 1.00 25.00 C ATOM 139 NE ARG A 10 8.770 8.550 -8.058 1.00 25.00 N ATOM 140 CZ ARG A 10 9.324 7.357 -7.811 1.00 25.00 C ATOM 141 NH1 ARG A 10 10.372 7.347 -7.051 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 8.909 6.199 -8.249 1.00 25.00 N ATOM 0 H ARG A 10 7.473 10.136 -12.783 1.00 25.00 H new ATOM 0 HA ARG A 10 9.449 11.937 -11.797 1.00 25.00 H new ATOM 0 HB2 ARG A 10 9.168 10.860 -9.685 1.00 25.00 H new ATOM 0 HB3 ARG A 10 7.608 11.227 -10.394 1.00 25.00 H new ATOM 0 HG2 ARG A 10 7.228 8.922 -10.944 1.00 25.00 H new ATOM 0 HG3 ARG A 10 8.868 8.487 -10.507 1.00 25.00 H new ATOM 0 HD2 ARG A 10 7.091 9.754 -8.421 1.00 25.00 H new ATOM 0 HD3 ARG A 10 6.876 8.060 -8.816 1.00 25.00 H new ATOM 0 HE ARG A 10 9.247 9.346 -7.634 1.00 25.00 H new ATOM 0 HH11 ARG A 10 10.736 8.222 -6.673 1.00 25.00 H new ATOM 0 HH12 ARG A 10 10.834 6.465 -6.831 1.00 25.00 H new ATOM 0 HH21 ARG A 10 8.082 6.145 -8.844 1.00 25.00 H new ATOM 0 HH22 ARG A 10 9.412 5.348 -7.996 1.00 25.00 H new ATOM 156 N ALA A 11 10.304 9.044 -12.872 1.00 25.00 N ATOM 157 CA ALA A 11 11.305 8.043 -13.132 1.00 25.00 C ATOM 158 C ALA A 11 12.472 8.764 -13.756 1.00 25.00 C ATOM 159 O ALA A 11 13.626 8.340 -13.598 1.00 25.00 O ATOM 160 CB ALA A 11 10.732 6.911 -14.008 1.00 25.00 C ATOM 0 H ALA A 11 9.451 8.884 -13.407 1.00 25.00 H new ATOM 0 HA ALA A 11 11.637 7.544 -12.222 1.00 25.00 H new ATOM 0 HB1 ALA A 11 11.506 6.166 -14.192 1.00 25.00 H new ATOM 0 HB2 ALA A 11 9.892 6.443 -13.494 1.00 25.00 H new ATOM 0 HB3 ALA A 11 10.392 7.323 -14.958 1.00 25.00 H new ATOM 166 N ALA A 12 12.162 9.819 -14.488 1.00 25.00 N ATOM 167 CA ALA A 12 13.215 10.596 -15.142 1.00 25.00 C ATOM 168 C ALA A 12 14.281 11.094 -14.152 1.00 25.00 C ATOM 169 O ALA A 12 15.442 11.092 -14.483 1.00 25.00 O ATOM 170 CB ALA A 12 12.553 11.836 -15.836 1.00 25.00 C ATOM 0 H ALA A 12 11.213 10.157 -14.646 1.00 25.00 H new ATOM 0 HA ALA A 12 13.714 9.947 -15.862 1.00 25.00 H new ATOM 0 HB1 ALA A 12 13.322 12.430 -16.330 1.00 25.00 H new ATOM 0 HB2 ALA A 12 11.827 11.495 -16.574 1.00 25.00 H new ATOM 0 HB3 ALA A 12 12.049 12.446 -15.087 1.00 25.00 H new ATOM 176 N LEU A 13 13.846 11.494 -12.935 1.00 25.00 N ATOM 177 CA LEU A 13 14.741 11.996 -11.893 1.00 25.00 C ATOM 178 C LEU A 13 15.151 10.858 -10.933 1.00 25.00 C ATOM 179 O LEU A 13 16.296 10.812 -10.488 1.00 25.00 O ATOM 180 CB LEU A 13 14.098 13.148 -11.072 1.00 25.00 C ATOM 181 CG LEU A 13 13.918 14.439 -11.882 1.00 25.00 C ATOM 182 CD1 LEU A 13 12.632 14.558 -12.733 1.00 75.00 C ATOM 183 CD2 LEU A 13 13.997 15.731 -11.087 1.00 75.00 C ATOM 0 H LEU A 13 12.864 11.474 -12.658 1.00 25.00 H new ATOM 0 HA LEU A 13 15.622 12.389 -12.400 1.00 25.00 H new ATOM 0 HB2 LEU A 13 13.127 12.822 -10.699 1.00 25.00 H new ATOM 0 HB3 LEU A 13 14.720 13.356 -10.201 1.00 25.00 H new ATOM 0 HG LEU A 13 14.783 14.326 -12.536 1.00 25.00 H new ATOM 0 HD11 LEU A 13 12.628 15.515 -13.254 1.00 75.00 H new ATOM 0 HD12 LEU A 13 12.602 13.748 -13.462 1.00 75.00 H new ATOM 0 HD13 LEU A 13 11.759 14.495 -12.084 1.00 75.00 H new ATOM 0 HD21 LEU A 13 13.857 16.579 -11.757 1.00 75.00 H new ATOM 0 HD22 LEU A 13 13.218 15.737 -10.325 1.00 75.00 H new ATOM 0 HD23 LEU A 13 14.973 15.804 -10.608 1.00 75.00 H new ATOM 195 N CYS A 14 14.306 9.866 -10.677 1.00 25.00 N ATOM 196 CA CYS A 14 14.670 8.806 -9.774 1.00 25.00 C ATOM 197 C CYS A 14 15.682 7.778 -10.314 1.00 25.00 C ATOM 198 O CYS A 14 16.309 7.024 -9.549 1.00 25.00 O ATOM 199 CB CYS A 14 13.434 8.086 -9.348 1.00 25.00 C ATOM 200 SG CYS A 14 13.634 7.015 -7.890 1.00 25.00 S ATOM 0 H CYS A 14 13.374 9.783 -11.083 1.00 25.00 H new ATOM 0 HA CYS A 14 15.177 9.300 -8.946 1.00 25.00 H new ATOM 0 HB2 CYS A 14 12.658 8.821 -9.137 1.00 25.00 H new ATOM 0 HB3 CYS A 14 13.080 7.479 -10.181 1.00 25.00 H new ATOM 205 N SER A 15 15.756 7.664 -11.616 1.00 25.00 N ATOM 206 CA SER A 15 16.408 6.517 -12.259 1.00 25.00 C ATOM 207 C SER A 15 17.843 6.894 -12.558 1.00 25.00 C ATOM 208 O SER A 15 18.203 8.018 -12.831 1.00 25.00 O ATOM 209 CB SER A 15 15.738 6.150 -13.610 1.00 25.00 C ATOM 210 OG SER A 15 15.727 7.159 -14.495 1.00 25.00 O ATOM 0 H SER A 15 15.374 8.349 -12.268 1.00 25.00 H new ATOM 0 HA SER A 15 16.331 5.665 -11.583 1.00 25.00 H new ATOM 0 HB2 SER A 15 16.262 5.300 -14.047 1.00 25.00 H new ATOM 0 HB3 SER A 15 14.713 5.831 -13.423 1.00 25.00 H new ATOM 0 HG SER A 15 14.854 7.604 -14.473 1.00 25.00 H new ATOM 216 N GLU A 16 18.643 5.856 -12.656 1.00 25.00 N ATOM 217 CA GLU A 16 19.997 5.957 -13.215 1.00 25.00 C ATOM 218 C GLU A 16 19.842 5.711 -14.690 1.00 25.00 C ATOM 219 O GLU A 16 20.789 5.944 -15.461 1.00 25.00 O ATOM 220 CB GLU A 16 20.739 4.846 -12.517 1.00 25.00 C ATOM 221 CG GLU A 16 21.038 5.154 -11.024 1.00 25.00 C ATOM 222 CD GLU A 16 21.922 4.035 -10.492 1.00 25.00 C ATOM 223 OE1 GLU A 16 22.917 4.333 -9.793 1.00 25.00 O ATOM 224 OE2 GLU A 16 21.669 2.846 -10.780 1.00 25.00 O1- ATOM 0 H GLU A 16 18.386 4.916 -12.355 1.00 25.00 H new ATOM 0 HA GLU A 16 20.518 6.905 -13.081 1.00 25.00 H new ATOM 0 HB2 GLU A 16 20.153 3.929 -12.582 1.00 25.00 H new ATOM 0 HB3 GLU A 16 21.678 4.661 -13.038 1.00 25.00 H new ATOM 0 HG2 GLU A 16 21.538 6.117 -10.924 1.00 25.00 H new ATOM 0 HG3 GLU A 16 20.112 5.215 -10.453 1.00 25.00 H new ATOM 231 N ALA A 17 18.707 5.222 -15.123 1.00 25.00 N ATOM 232 CA ALA A 17 18.498 4.844 -16.515 1.00 25.00 C ATOM 233 C ALA A 17 18.582 6.060 -17.322 1.00 25.00 C ATOM 234 O ALA A 17 19.079 6.004 -18.438 1.00 25.00 O ATOM 235 CB ALA A 17 17.126 4.182 -16.660 1.00 25.00 C ATOM 0 H ALA A 17 17.894 5.071 -14.525 1.00 25.00 H new ATOM 0 HA ALA A 17 19.252 4.131 -16.849 1.00 25.00 H new ATOM 0 HB1 ALA A 17 16.967 3.898 -17.700 1.00 25.00 H new ATOM 0 HB2 ALA A 17 17.083 3.293 -16.031 1.00 25.00 H new ATOM 0 HB3 ALA A 17 16.350 4.883 -16.352 1.00 25.00 H new ATOM 241 N PHE A 18 18.081 7.170 -16.802 1.00 25.00 N ATOM 242 CA PHE A 18 18.162 8.513 -17.494 1.00 25.00 C ATOM 243 C PHE A 18 19.539 8.973 -17.853 1.00 25.00 C ATOM 244 O PHE A 18 19.744 9.438 -18.980 1.00 25.00 O ATOM 245 CB PHE A 18 17.393 9.519 -16.671 1.00 25.00 C ATOM 246 CG PHE A 18 17.073 10.773 -17.357 1.00 25.00 C ATOM 247 CD1 PHE A 18 18.058 11.750 -17.608 1.00 50.00 C ATOM 248 CD2 PHE A 18 15.769 11.017 -17.799 1.00 50.00 C ATOM 249 CE1 PHE A 18 17.652 12.987 -18.212 1.00 25.00 C ATOM 250 CE2 PHE A 18 15.396 12.290 -18.359 1.00 25.00 C ATOM 251 CZ PHE A 18 16.329 13.262 -18.523 1.00 25.00 C ATOM 0 H PHE A 18 17.606 7.200 -15.900 1.00 25.00 H new ATOM 0 HA PHE A 18 17.701 8.402 -18.475 1.00 25.00 H new ATOM 0 HB2 PHE A 18 16.463 9.058 -16.339 1.00 25.00 H new ATOM 0 HB3 PHE A 18 17.971 9.750 -15.776 1.00 25.00 H new ATOM 0 HD1 PHE A 18 19.092 11.572 -17.352 1.00 50.00 H new ATOM 0 HD2 PHE A 18 15.028 10.236 -17.719 1.00 50.00 H new ATOM 0 HE1 PHE A 18 18.404 13.730 -18.432 1.00 25.00 H new ATOM 0 HE2 PHE A 18 14.372 12.472 -18.649 1.00 25.00 H new ATOM 0 HZ PHE A 18 16.045 14.237 -18.891 1.00 25.00 H new ATOM 261 N GLY A 19 20.449 8.916 -16.915 1.00 25.00 N ATOM 262 CA GLY A 19 21.729 9.605 -17.120 1.00 25.00 C ATOM 263 C GLY A 19 22.977 9.004 -16.531 1.00 25.00 C ATOM 264 O GLY A 19 24.048 9.558 -16.726 1.00 25.00 O ATOM 0 H GLY A 19 20.350 8.423 -16.028 1.00 25.00 H new ATOM 0 HA2 GLY A 19 21.884 9.701 -18.195 1.00 25.00 H new ATOM 0 HA3 GLY A 19 21.628 10.614 -16.721 1.00 25.00 H new ATOM 268 N PHE A 20 22.800 7.908 -15.859 1.00 25.00 N ATOM 269 CA PHE A 20 23.836 7.117 -15.187 1.00 25.00 C ATOM 270 C PHE A 20 24.696 7.754 -14.090 1.00 25.00 C ATOM 271 O PHE A 20 24.940 7.086 -13.108 1.00 25.00 O ATOM 272 CB PHE A 20 24.722 6.427 -16.246 1.00 25.00 C ATOM 273 CG PHE A 20 25.878 5.591 -15.667 1.00 25.00 C ATOM 274 CD1 PHE A 20 25.693 4.270 -15.210 1.00 50.00 C ATOM 275 CD2 PHE A 20 27.201 6.125 -15.684 1.00 50.00 C ATOM 276 CE1 PHE A 20 26.875 3.529 -14.830 1.00 25.00 C ATOM 277 CE2 PHE A 20 28.257 5.378 -15.162 1.00 25.00 C ATOM 278 CZ PHE A 20 28.101 4.038 -14.756 1.00 25.00 C ATOM 0 H PHE A 20 21.873 7.498 -15.746 1.00 25.00 H new ATOM 0 HA PHE A 20 23.245 6.417 -14.596 1.00 25.00 H new ATOM 0 HB2 PHE A 20 24.095 5.780 -16.860 1.00 25.00 H new ATOM 0 HB3 PHE A 20 25.137 7.189 -16.906 1.00 25.00 H new ATOM 0 HD1 PHE A 20 24.709 3.830 -15.146 1.00 50.00 H new ATOM 0 HD2 PHE A 20 27.384 7.105 -16.100 1.00 50.00 H new ATOM 0 HE1 PHE A 20 26.753 2.484 -14.588 1.00 25.00 H new ATOM 0 HE2 PHE A 20 29.227 5.843 -15.066 1.00 25.00 H new ATOM 0 HZ PHE A 20 28.937 3.453 -14.402 1.00 25.00 H new ATOM 288 N LEU A 21 25.269 8.934 -14.203 1.00 25.00 N ATOM 289 CA LEU A 21 26.184 9.474 -13.149 1.00 25.00 C ATOM 290 C LEU A 21 25.518 9.927 -11.885 1.00 25.00 C ATOM 291 O LEU A 21 26.230 10.188 -10.897 1.00 25.00 O ATOM 292 CB LEU A 21 26.898 10.701 -13.728 1.00 25.00 C ATOM 293 CG LEU A 21 27.899 10.682 -14.912 1.00 25.00 C ATOM 294 CD1 LEU A 21 28.423 12.075 -15.163 1.00 50.00 C ATOM 295 CD2 LEU A 21 29.091 9.752 -14.797 1.00 50.00 C ATOM 0 H LEU A 21 25.135 9.556 -15.001 1.00 25.00 H new ATOM 0 HA LEU A 21 26.842 8.647 -12.883 1.00 25.00 H new ATOM 0 HB2 LEU A 21 26.109 11.395 -14.017 1.00 25.00 H new ATOM 0 HB3 LEU A 21 27.433 11.155 -12.894 1.00 25.00 H new ATOM 0 HG LEU A 21 27.303 10.288 -15.735 1.00 25.00 H new ATOM 0 HD11 LEU A 21 29.126 12.055 -15.996 1.00 50.00 H new ATOM 0 HD12 LEU A 21 27.592 12.738 -15.405 1.00 50.00 H new ATOM 0 HD13 LEU A 21 28.930 12.440 -14.270 1.00 50.00 H new ATOM 0 HD21 LEU A 21 29.708 9.839 -15.692 1.00 50.00 H new ATOM 0 HD22 LEU A 21 29.681 10.024 -13.922 1.00 50.00 H new ATOM 0 HD23 LEU A 21 28.742 8.724 -14.695 1.00 50.00 H new ATOM 307 N ASN A 22 24.202 10.195 -11.917 1.00 25.00 N ATOM 308 CA ASN A 22 23.584 10.803 -10.766 1.00 25.00 C ATOM 309 C ASN A 22 22.206 10.222 -10.871 1.00 25.00 C ATOM 310 O ASN A 22 21.807 9.595 -11.850 1.00 25.00 O ATOM 311 CB ASN A 22 23.489 12.260 -10.979 1.00 25.00 C ATOM 312 CG ASN A 22 23.313 13.050 -9.725 1.00 25.00 C ATOM 313 OD1 ASN A 22 23.156 12.513 -8.589 1.00 25.00 O ATOM 314 ND2 ASN A 22 23.514 14.312 -9.820 1.00 25.00 N ATOM 0 H ASN A 22 23.580 10.003 -12.702 1.00 25.00 H new ATOM 0 HA ASN A 22 24.101 10.637 -9.821 1.00 25.00 H new ATOM 0 HB2 ASN A 22 24.391 12.601 -11.487 1.00 25.00 H new ATOM 0 HB3 ASN A 22 22.651 12.465 -11.645 1.00 25.00 H new ATOM 0 HD21 ASN A 22 23.548 14.888 -8.979 1.00 25.00 H new ATOM 0 HD22 ASN A 22 23.640 14.741 -10.737 1.00 25.00 H new ATOM 321 N LEU A 23 21.414 10.545 -9.858 1.00 25.00 N ATOM 322 CA LEU A 23 20.011 10.296 -9.806 1.00 25.00 C ATOM 323 C LEU A 23 19.523 11.258 -8.688 1.00 25.00 C ATOM 324 O LEU A 23 20.300 11.893 -7.969 1.00 25.00 O ATOM 325 CB LEU A 23 19.759 8.837 -9.393 1.00 25.00 C ATOM 326 CG LEU A 23 20.314 8.253 -8.073 1.00 25.00 C ATOM 327 CD1 LEU A 23 19.554 6.946 -7.784 1.00 50.00 C ATOM 328 CD2 LEU A 23 21.845 7.988 -8.028 1.00 50.00 C ATOM 0 H LEU A 23 21.765 11.008 -9.020 1.00 25.00 H new ATOM 0 HA LEU A 23 19.505 10.451 -10.759 1.00 25.00 H new ATOM 0 HB2 LEU A 23 18.678 8.699 -9.368 1.00 25.00 H new ATOM 0 HB3 LEU A 23 20.142 8.211 -10.199 1.00 25.00 H new ATOM 0 HG LEU A 23 20.156 9.019 -7.313 1.00 25.00 H new ATOM 0 HD11 LEU A 23 19.923 6.508 -6.857 1.00 50.00 H new ATOM 0 HD12 LEU A 23 18.489 7.158 -7.686 1.00 50.00 H new ATOM 0 HD13 LEU A 23 19.711 6.245 -8.604 1.00 50.00 H new ATOM 0 HD21 LEU A 23 22.115 7.580 -7.054 1.00 50.00 H new ATOM 0 HD22 LEU A 23 22.114 7.275 -8.808 1.00 50.00 H new ATOM 0 HD23 LEU A 23 22.381 8.923 -8.191 1.00 50.00 H new ATOM 340 N ASN A 24 18.225 11.412 -8.509 1.00 25.00 N ATOM 341 CA ASN A 24 17.694 12.413 -7.603 1.00 25.00 C ATOM 342 C ASN A 24 16.398 11.878 -6.990 1.00 25.00 C ATOM 343 O ASN A 24 15.290 12.308 -7.302 1.00 25.00 O ATOM 344 CB ASN A 24 17.432 13.621 -8.473 1.00 25.00 C ATOM 345 CG ASN A 24 17.113 14.848 -7.709 1.00 25.00 C ATOM 346 OD1 ASN A 24 16.911 14.782 -6.509 1.00 25.00 O ATOM 347 ND2 ASN A 24 16.989 15.944 -8.346 1.00 25.00 N ATOM 0 H ASN A 24 17.515 10.853 -8.982 1.00 25.00 H new ATOM 0 HA ASN A 24 18.366 12.660 -6.781 1.00 25.00 H new ATOM 0 HB2 ASN A 24 18.309 13.808 -9.093 1.00 25.00 H new ATOM 0 HB3 ASN A 24 16.605 13.399 -9.148 1.00 25.00 H new ATOM 0 HD21 ASN A 24 16.715 16.793 -7.852 1.00 25.00 H new ATOM 0 HD22 ASN A 24 17.164 15.973 -9.350 1.00 25.00 H new ATOM 354 N CYS A 25 16.622 10.885 -6.119 1.00 25.00 N ATOM 355 CA CYS A 25 15.488 10.199 -5.508 1.00 25.00 C ATOM 356 C CYS A 25 15.600 10.043 -3.960 1.00 25.00 C ATOM 357 O CYS A 25 14.637 9.757 -3.316 1.00 25.00 O ATOM 358 CB CYS A 25 15.261 8.845 -6.176 1.00 25.00 C ATOM 359 SG CYS A 25 13.483 8.359 -6.352 1.00 25.00 S ATOM 0 H CYS A 25 17.543 10.552 -5.833 1.00 25.00 H new ATOM 0 HA CYS A 25 14.622 10.839 -5.677 1.00 25.00 H new ATOM 0 HB2 CYS A 25 15.719 8.862 -7.165 1.00 25.00 H new ATOM 0 HB3 CYS A 25 15.778 8.079 -5.598 1.00 25.00 H new ATOM 364 N GLY A 26 16.832 10.176 -3.454 1.00 25.00 N ATOM 365 CA GLY A 26 17.096 10.102 -2.018 1.00 25.00 C ATOM 366 C GLY A 26 16.702 8.794 -1.358 1.00 25.00 C ATOM 367 O GLY A 26 17.339 7.772 -1.481 1.00 25.00 O ATOM 0 H GLY A 26 17.663 10.336 -4.023 1.00 25.00 H new ATOM 0 HA2 GLY A 26 18.160 10.269 -1.851 1.00 25.00 H new ATOM 0 HA3 GLY A 26 16.564 10.915 -1.524 1.00 25.00 H new ATOM 371 N SER A 27 15.656 8.912 -0.617 1.00 25.00 N ATOM 372 CA SER A 27 15.030 7.843 0.165 1.00 25.00 C ATOM 373 C SER A 27 13.875 7.215 -0.587 1.00 25.00 C ATOM 374 O SER A 27 13.529 6.055 -0.402 1.00 25.00 O ATOM 375 CB SER A 27 14.556 8.381 1.544 1.00 25.00 C ATOM 376 OG SER A 27 15.683 8.957 2.253 1.00 25.00 O ATOM 0 H SER A 27 15.167 9.802 -0.518 1.00 25.00 H new ATOM 0 HA SER A 27 15.779 7.069 0.332 1.00 25.00 H new ATOM 0 HB2 SER A 27 13.778 9.132 1.405 1.00 25.00 H new ATOM 0 HB3 SER A 27 14.118 7.573 2.130 1.00 25.00 H new ATOM 0 HG SER A 27 15.383 9.298 3.122 1.00 25.00 H new ATOM 382 N VAL A 28 13.238 8.024 -1.444 1.00 25.00 N ATOM 383 CA VAL A 28 11.971 7.616 -2.067 1.00 25.00 C ATOM 384 C VAL A 28 12.155 6.362 -2.981 1.00 25.00 C ATOM 385 O VAL A 28 11.252 5.498 -3.046 1.00 25.00 O ATOM 386 CB VAL A 28 11.311 8.850 -2.874 1.00 25.00 C ATOM 387 CG1 VAL A 28 9.885 8.542 -3.513 1.00 50.00 C ATOM 388 CG2 VAL A 28 11.177 10.006 -1.942 1.00 50.00 C ATOM 0 H VAL A 28 13.571 8.948 -1.718 1.00 25.00 H new ATOM 0 HA VAL A 28 11.283 7.328 -1.272 1.00 25.00 H new ATOM 0 HB VAL A 28 11.978 9.060 -3.710 1.00 25.00 H new ATOM 0 HG11 VAL A 28 9.521 9.427 -4.034 1.00 50.00 H new ATOM 0 HG12 VAL A 28 9.973 7.716 -4.219 1.00 50.00 H new ATOM 0 HG13 VAL A 28 9.183 8.271 -2.724 1.00 50.00 H new ATOM 0 HG21 VAL A 28 10.733 10.850 -2.470 1.00 50.00 H new ATOM 0 HG22 VAL A 28 10.539 9.726 -1.104 1.00 50.00 H new ATOM 0 HG23 VAL A 28 12.161 10.289 -1.570 1.00 50.00 H new ATOM 398 N MET A 29 13.349 6.195 -3.543 1.00 25.00 N ATOM 399 CA MET A 29 13.637 5.023 -4.320 1.00 25.00 C ATOM 400 C MET A 29 13.570 3.692 -3.529 1.00 25.00 C ATOM 401 O MET A 29 13.385 2.671 -4.131 1.00 25.00 O ATOM 402 CB MET A 29 15.035 5.077 -5.005 1.00 25.00 C ATOM 403 CG MET A 29 16.167 5.483 -4.110 1.00 25.00 C ATOM 404 SD MET A 29 17.702 5.087 -4.863 1.00 25.00 S ATOM 405 CE MET A 29 18.924 5.484 -3.526 1.00 25.00 C ATOM 0 H MET A 29 14.119 6.859 -3.468 1.00 25.00 H new ATOM 0 HA MET A 29 12.841 5.032 -5.065 1.00 25.00 H new ATOM 0 HB2 MET A 29 15.256 4.094 -5.422 1.00 25.00 H new ATOM 0 HB3 MET A 29 14.986 5.774 -5.841 1.00 25.00 H new ATOM 0 HG2 MET A 29 16.117 6.553 -3.910 1.00 25.00 H new ATOM 0 HG3 MET A 29 16.082 4.974 -3.150 1.00 25.00 H new ATOM 0 HE1 MET A 29 19.933 5.275 -3.882 1.00 25.00 H new ATOM 0 HE2 MET A 29 18.844 6.538 -3.261 1.00 25.00 H new ATOM 0 HE3 MET A 29 18.715 4.872 -2.648 1.00 25.00 H new ATOM 415 N TYR A 30 13.726 3.725 -2.225 1.00 25.00 N ATOM 416 CA TYR A 30 13.482 2.466 -1.448 1.00 25.00 C ATOM 417 C TYR A 30 12.004 2.337 -1.042 1.00 25.00 C ATOM 418 O TYR A 30 11.413 1.228 -1.087 1.00 25.00 O ATOM 419 CB TYR A 30 14.280 2.592 -0.122 1.00 25.00 C ATOM 420 CG TYR A 30 14.343 1.301 0.632 1.00 25.00 C ATOM 421 CD1 TYR A 30 15.431 0.399 0.428 1.00 50.00 C ATOM 422 CD2 TYR A 30 13.403 0.988 1.674 1.00 50.00 C ATOM 423 CE1 TYR A 30 15.408 -0.839 1.067 1.00 25.00 C ATOM 424 CE2 TYR A 30 13.439 -0.247 2.373 1.00 25.00 C ATOM 425 CZ TYR A 30 14.466 -1.119 2.067 1.00 25.00 C ATOM 426 OH TYR A 30 14.630 -2.269 2.825 1.00 25.00 O ATOM 0 H TYR A 30 14.003 4.541 -1.679 1.00 25.00 H new ATOM 0 HA TYR A 30 13.772 1.612 -2.060 1.00 25.00 H new ATOM 0 HB2 TYR A 30 15.292 2.931 -0.341 1.00 25.00 H new ATOM 0 HB3 TYR A 30 13.818 3.354 0.506 1.00 25.00 H new ATOM 0 HD1 TYR A 30 16.258 0.672 -0.211 1.00 50.00 H new ATOM 0 HD2 TYR A 30 12.647 1.714 1.933 1.00 50.00 H new ATOM 0 HE1 TYR A 30 16.127 -1.595 0.788 1.00 25.00 H new ATOM 0 HE2 TYR A 30 12.694 -0.495 3.114 1.00 25.00 H new ATOM 0 HH TYR A 30 13.905 -2.335 3.481 1.00 25.00 H new ATOM 436 N GLU A 31 11.392 3.492 -0.687 1.00 25.00 N ATOM 437 CA GLU A 31 10.016 3.493 -0.213 1.00 25.00 C ATOM 438 C GLU A 31 8.957 4.140 -1.176 1.00 25.00 C ATOM 439 O GLU A 31 8.121 4.939 -0.722 1.00 25.00 O ATOM 440 CB GLU A 31 10.008 4.246 1.105 1.00 25.00 C ATOM 441 CG GLU A 31 10.817 3.690 2.205 1.00 25.00 C ATOM 442 CD GLU A 31 10.548 4.293 3.580 1.00 25.00 C ATOM 443 OE1 GLU A 31 10.231 3.634 4.558 1.00 25.00 O ATOM 444 OE2 GLU A 31 10.726 5.562 3.635 1.00 25.00 O1- ATOM 0 H GLU A 31 11.832 4.411 -0.724 1.00 25.00 H new ATOM 0 HA GLU A 31 9.710 2.450 -0.132 1.00 25.00 H new ATOM 0 HB2 GLU A 31 10.351 5.263 0.915 1.00 25.00 H new ATOM 0 HB3 GLU A 31 8.976 4.316 1.447 1.00 25.00 H new ATOM 0 HG2 GLU A 31 10.641 2.616 2.257 1.00 25.00 H new ATOM 0 HG3 GLU A 31 11.871 3.829 1.965 1.00 25.00 H new ATOM 451 N PRO A 32 8.947 3.801 -2.455 1.00 25.00 N ATOM 452 CA PRO A 32 7.940 4.564 -3.189 1.00 25.00 C ATOM 453 C PRO A 32 6.439 4.221 -2.886 1.00 25.00 C ATOM 454 O PRO A 32 5.557 5.039 -3.186 1.00 25.00 O ATOM 455 CB PRO A 32 8.286 4.246 -4.658 1.00 25.00 C ATOM 456 CG PRO A 32 8.794 2.908 -4.647 1.00 25.00 C ATOM 457 CD PRO A 32 9.603 2.828 -3.346 1.00 25.00 C ATOM 0 HA PRO A 32 7.988 5.615 -2.904 1.00 25.00 H new ATOM 0 HB2 PRO A 32 7.406 4.327 -5.295 1.00 25.00 H new ATOM 0 HB3 PRO A 32 9.027 4.944 -5.047 1.00 25.00 H new ATOM 0 HG2 PRO A 32 7.988 2.175 -4.661 1.00 25.00 H new ATOM 0 HG3 PRO A 32 9.419 2.711 -5.518 1.00 25.00 H new ATOM 0 HD2 PRO A 32 9.581 1.823 -2.924 1.00 25.00 H new ATOM 0 HD3 PRO A 32 10.650 3.082 -3.511 1.00 25.00 H new ATOM 465 N GLN A 33 6.123 3.044 -2.315 1.00 25.00 N ATOM 466 CA GLN A 33 4.756 2.642 -1.984 1.00 25.00 C ATOM 467 C GLN A 33 4.465 2.619 -0.494 1.00 25.00 C ATOM 468 O GLN A 33 3.301 2.698 -0.085 1.00 25.00 O ATOM 469 CB GLN A 33 4.229 1.364 -2.653 1.00 25.00 C ATOM 470 CG GLN A 33 4.983 0.109 -2.492 1.00 25.00 C ATOM 471 CD GLN A 33 4.335 -1.087 -3.161 1.00 25.00 C ATOM 472 OE1 GLN A 33 3.704 -1.031 -4.228 1.00 25.00 O ATOM 473 NE2 GLN A 33 4.562 -2.235 -2.542 1.00 25.00 N ATOM 0 H GLN A 33 6.822 2.342 -2.070 1.00 25.00 H new ATOM 0 HA GLN A 33 4.189 3.455 -2.438 1.00 25.00 H new ATOM 0 HB2 GLN A 33 3.219 1.191 -2.281 1.00 25.00 H new ATOM 0 HB3 GLN A 33 4.146 1.563 -3.721 1.00 25.00 H new ATOM 0 HG2 GLN A 33 5.984 0.243 -2.901 1.00 25.00 H new ATOM 0 HG3 GLN A 33 5.098 -0.100 -1.429 1.00 25.00 H new ATOM 0 HE21 GLN A 33 5.084 -2.247 -1.666 1.00 25.00 H new ATOM 0 HE22 GLN A 33 4.215 -3.107 -2.941 1.00 25.00 H new ATOM 482 N SER A 34 5.505 2.533 0.286 1.00 25.00 N ATOM 483 CA SER A 34 5.395 2.593 1.744 1.00 25.00 C ATOM 484 C SER A 34 5.660 4.003 2.333 1.00 25.00 C ATOM 485 O SER A 34 6.067 4.169 3.478 1.00 25.00 O ATOM 486 CB SER A 34 6.324 1.534 2.391 1.00 25.00 C ATOM 487 OG SER A 34 7.657 1.873 2.006 1.00 25.00 O ATOM 0 H SER A 34 6.459 2.419 -0.056 1.00 25.00 H new ATOM 0 HA SER A 34 4.357 2.366 1.989 1.00 25.00 H new ATOM 0 HB2 SER A 34 6.221 1.539 3.476 1.00 25.00 H new ATOM 0 HB3 SER A 34 6.065 0.531 2.051 1.00 25.00 H new ATOM 0 HG SER A 34 8.284 1.228 2.395 1.00 25.00 H new ATOM 493 N LEU A 35 5.474 4.970 1.458 1.00 25.00 N ATOM 494 CA LEU A 35 5.784 6.371 1.640 1.00 25.00 C ATOM 495 C LEU A 35 4.905 7.132 2.731 1.00 25.00 C ATOM 496 O LEU A 35 4.370 8.258 2.477 1.00 25.00 O ATOM 497 CB LEU A 35 5.640 6.918 0.217 1.00 25.00 C ATOM 498 CG LEU A 35 6.355 8.245 -0.270 1.00 25.00 C ATOM 499 CD1 LEU A 35 7.867 8.225 -0.015 1.00 50.00 C ATOM 500 CD2 LEU A 35 6.187 8.543 -1.857 1.00 50.00 C ATOM 0 H LEU A 35 5.075 4.783 0.538 1.00 25.00 H new ATOM 0 HA LEU A 35 6.775 6.526 2.067 1.00 25.00 H new ATOM 0 HB2 LEU A 35 5.968 6.125 -0.455 1.00 25.00 H new ATOM 0 HB3 LEU A 35 4.573 7.060 0.046 1.00 25.00 H new ATOM 0 HG LEU A 35 5.855 9.018 0.314 1.00 25.00 H new ATOM 0 HD11 LEU A 35 8.308 9.158 -0.367 1.00 50.00 H new ATOM 0 HD12 LEU A 35 8.054 8.116 1.053 1.00 50.00 H new ATOM 0 HD13 LEU A 35 8.315 7.387 -0.549 1.00 50.00 H new ATOM 0 HD21 LEU A 35 6.705 9.468 -2.110 1.00 50.00 H new ATOM 0 HD22 LEU A 35 6.615 7.720 -2.429 1.00 50.00 H new ATOM 0 HD23 LEU A 35 5.129 8.642 -2.099 1.00 50.00 H new ATOM 512 N GLU A 36 4.691 6.525 3.894 1.00 25.00 N ATOM 513 CA GLU A 36 3.927 7.094 5.011 1.00 25.00 C ATOM 514 C GLU A 36 4.487 8.225 5.829 1.00 25.00 C ATOM 515 O GLU A 36 5.694 8.378 5.865 1.00 25.00 O ATOM 516 CB GLU A 36 3.654 5.999 6.031 1.00 25.00 C ATOM 517 CG GLU A 36 3.040 4.671 5.533 1.00 25.00 C ATOM 518 CD GLU A 36 2.745 3.650 6.629 1.00 25.00 C ATOM 519 OE1 GLU A 36 1.638 3.119 6.643 1.00 25.00 O ATOM 520 OE2 GLU A 36 3.658 3.279 7.446 1.00 25.00 O1- ATOM 0 H GLU A 36 5.054 5.594 4.097 1.00 25.00 H new ATOM 0 HA GLU A 36 3.079 7.516 4.472 1.00 25.00 H new ATOM 0 HB2 GLU A 36 4.596 5.765 6.527 1.00 25.00 H new ATOM 0 HB3 GLU A 36 2.988 6.410 6.790 1.00 25.00 H new ATOM 0 HG2 GLU A 36 2.113 4.892 5.003 1.00 25.00 H new ATOM 0 HG3 GLU A 36 3.721 4.221 4.811 1.00 25.00 H new ATOM 527 N ALA A 37 3.666 9.014 6.488 1.00 25.00 N ATOM 528 CA ALA A 37 4.137 10.025 7.476 1.00 25.00 C ATOM 529 C ALA A 37 3.116 10.323 8.611 1.00 25.00 C ATOM 530 O ALA A 37 2.710 11.485 8.727 1.00 25.00 O ATOM 531 CB ALA A 37 4.462 11.331 6.738 1.00 25.00 C ATOM 0 H ALA A 37 2.653 8.992 6.372 1.00 25.00 H new ATOM 0 HA ALA A 37 5.020 9.603 7.957 1.00 25.00 H new ATOM 0 HB1 ALA A 37 4.808 12.077 7.454 1.00 25.00 H new ATOM 0 HB2 ALA A 37 5.243 11.147 6.000 1.00 25.00 H new ATOM 0 HB3 ALA A 37 3.567 11.698 6.236 1.00 25.00 H new ATOM 537 N LYS A 38 2.648 9.417 9.422 1.00 25.00 N ATOM 538 CA LYS A 38 1.736 9.788 10.532 1.00 25.00 C ATOM 539 C LYS A 38 1.894 8.800 11.664 1.00 25.00 C ATOM 540 O LYS A 38 2.902 8.080 11.815 1.00 25.00 O ATOM 541 CB LYS A 38 0.297 9.903 9.938 1.00 25.00 C ATOM 542 CG LYS A 38 -0.520 10.942 10.686 1.00 25.00 C ATOM 543 CD LYS A 38 -1.786 11.245 9.916 1.00 25.00 C ATOM 544 CE LYS A 38 -2.705 12.239 10.615 1.00 25.00 C ATOM 545 NZ LYS A 38 -3.186 11.816 11.947 1.00 25.00 N1+ ATOM 0 H LYS A 38 2.863 8.422 9.360 1.00 25.00 H new ATOM 0 HA LYS A 38 1.972 10.756 10.974 1.00 25.00 H new ATOM 0 HB2 LYS A 38 0.356 10.172 8.883 1.00 25.00 H new ATOM 0 HB3 LYS A 38 -0.201 8.935 9.993 1.00 25.00 H new ATOM 0 HG2 LYS A 38 -0.768 10.576 11.682 1.00 25.00 H new ATOM 0 HG3 LYS A 38 0.064 11.853 10.817 1.00 25.00 H new ATOM 0 HD2 LYS A 38 -1.519 11.638 8.935 1.00 25.00 H new ATOM 0 HD3 LYS A 38 -2.330 10.316 9.749 1.00 25.00 H new ATOM 0 HE2 LYS A 38 -2.177 13.187 10.720 1.00 25.00 H new ATOM 0 HE3 LYS A 38 -3.568 12.424 9.976 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 -3.830 12.538 12.329 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 -3.692 10.911 11.862 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 -2.375 11.701 12.588 1.00 25.00 H new ATOM 559 N LYS A 39 0.898 8.846 12.555 1.00 25.00 N ATOM 560 CA LYS A 39 0.958 8.130 13.825 1.00 25.00 C ATOM 561 C LYS A 39 0.975 6.622 13.571 1.00 25.00 C ATOM 562 O LYS A 39 0.488 6.234 12.505 1.00 25.00 O ATOM 563 CB LYS A 39 -0.326 8.425 14.589 1.00 25.00 C ATOM 564 CG LYS A 39 -0.463 9.791 15.172 1.00 25.00 C ATOM 565 CD LYS A 39 -1.764 9.970 15.882 1.00 25.00 C ATOM 566 CE LYS A 39 -1.940 11.330 16.648 1.00 25.00 C ATOM 567 NZ LYS A 39 -3.360 11.502 17.075 1.00 25.00 N1+ ATOM 0 H LYS A 39 0.038 9.376 12.415 1.00 25.00 H new ATOM 0 HA LYS A 39 1.850 8.438 14.371 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -1.167 8.257 13.917 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -0.414 7.700 15.398 1.00 25.00 H new ATOM 0 HG2 LYS A 39 0.357 9.972 15.867 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -0.378 10.534 14.379 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -2.570 9.877 15.154 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -1.883 9.154 16.595 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -1.286 11.352 17.519 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -1.643 12.159 16.005 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -3.464 12.405 17.580 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -3.977 11.501 16.238 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -3.630 10.720 17.705 1.00 25.00 H new ATOM 581 N GLY A 40 1.444 5.793 14.540 1.00 25.00 N ATOM 582 CA GLY A 40 1.382 4.334 14.407 1.00 25.00 C ATOM 583 C GLY A 40 1.587 3.554 15.657 1.00 25.00 C ATOM 584 O GLY A 40 2.004 4.135 16.639 1.00 25.00 O ATOM 0 H GLY A 40 1.864 6.118 15.411 1.00 25.00 H new ATOM 0 HA2 GLY A 40 0.410 4.068 13.992 1.00 25.00 H new ATOM 0 HA3 GLY A 40 2.134 4.023 13.681 1.00 25.00 H new ATOM 588 N PHE A 41 1.320 2.226 15.570 1.00 25.00 N ATOM 589 CA PHE A 41 1.406 1.327 16.724 1.00 25.00 C ATOM 590 C PHE A 41 2.533 0.220 16.616 1.00 25.00 C ATOM 591 O PHE A 41 2.293 -0.846 15.966 1.00 25.00 O ATOM 592 CB PHE A 41 0.067 0.721 17.011 1.00 25.00 C ATOM 593 CG PHE A 41 -1.038 1.688 17.133 1.00 25.00 C ATOM 594 CD1 PHE A 41 -0.940 2.621 18.128 1.00 25.00 C ATOM 595 CD2 PHE A 41 -2.207 1.599 16.361 1.00 25.00 C ATOM 596 CE1 PHE A 41 -1.947 3.560 18.343 1.00 25.00 C ATOM 597 CE2 PHE A 41 -3.260 2.523 16.523 1.00 25.00 C ATOM 598 CZ PHE A 41 -3.074 3.565 17.491 1.00 25.00 C ATOM 0 H PHE A 41 1.043 1.763 14.704 1.00 25.00 H new ATOM 0 HA PHE A 41 1.712 1.948 17.566 1.00 25.00 H new ATOM 0 HB2 PHE A 41 -0.174 0.015 16.217 1.00 25.00 H new ATOM 0 HB3 PHE A 41 0.134 0.149 17.937 1.00 25.00 H new ATOM 0 HD1 PHE A 41 -0.064 2.630 18.760 1.00 25.00 H new ATOM 0 HD2 PHE A 41 -2.302 0.809 15.630 1.00 25.00 H new ATOM 0 HE1 PHE A 41 -1.867 4.274 19.150 1.00 25.00 H new ATOM 0 HE2 PHE A 41 -4.168 2.449 15.943 1.00 25.00 H new ATOM 0 HZ PHE A 41 -3.801 4.360 17.569 1.00 25.00 H new ATOM 608 N PRO A 42 3.702 0.430 17.200 1.00 25.00 N ATOM 609 CA PRO A 42 4.303 1.619 17.854 1.00 25.00 C ATOM 610 C PRO A 42 4.660 2.672 16.779 1.00 25.00 C ATOM 611 O PRO A 42 4.572 2.367 15.597 1.00 25.00 O ATOM 612 CB PRO A 42 5.542 1.061 18.488 1.00 25.00 C ATOM 613 CG PRO A 42 6.038 -0.052 17.604 1.00 25.00 C ATOM 614 CD PRO A 42 4.672 -0.715 17.187 1.00 25.00 C ATOM 0 HA PRO A 42 3.648 2.114 18.571 1.00 25.00 H new ATOM 0 HB2 PRO A 42 6.302 1.836 18.593 1.00 25.00 H new ATOM 0 HB3 PRO A 42 5.326 0.689 19.489 1.00 25.00 H new ATOM 0 HG2 PRO A 42 6.598 0.318 16.746 1.00 25.00 H new ATOM 0 HG3 PRO A 42 6.690 -0.745 18.136 1.00 25.00 H new ATOM 0 HD2 PRO A 42 4.735 -1.175 16.201 1.00 25.00 H new ATOM 0 HD3 PRO A 42 4.377 -1.498 17.886 1.00 25.00 H new ATOM 622 N HIS A 43 5.161 3.845 17.096 1.00 25.00 N ATOM 623 CA HIS A 43 5.442 4.757 15.951 1.00 25.00 C ATOM 624 C HIS A 43 6.647 4.489 15.098 1.00 25.00 C ATOM 625 O HIS A 43 6.500 4.679 13.895 1.00 25.00 O ATOM 626 CB HIS A 43 5.471 6.141 16.494 1.00 25.00 C ATOM 627 CG HIS A 43 5.545 7.156 15.449 1.00 25.00 C ATOM 628 ND1 HIS A 43 6.750 7.745 14.994 1.00 25.00 N ATOM 629 CD2 HIS A 43 4.563 7.787 14.692 1.00 25.00 C ATOM 630 CE1 HIS A 43 6.468 8.578 13.989 1.00 25.00 C ATOM 631 NE2 HIS A 43 5.170 8.638 13.841 1.00 25.00 N ATOM 0 H HIS A 43 5.374 4.190 18.032 1.00 25.00 H new ATOM 0 HA HIS A 43 4.639 4.579 15.236 1.00 25.00 H new ATOM 0 HB2 HIS A 43 4.578 6.309 17.095 1.00 25.00 H new ATOM 0 HB3 HIS A 43 6.328 6.248 17.159 1.00 25.00 H new ATOM 0 HD1 HIS A 43 7.680 7.563 15.372 1.00 25.00 H new ATOM 0 HD2 HIS A 43 3.499 7.623 14.772 1.00 25.00 H new ATOM 0 HE1 HIS A 43 7.193 9.114 13.395 1.00 25.00 H new ATOM 0 HE2 HIS A 43 4.686 9.242 13.177 1.00 25.00 H new ATOM 639 N SER A 44 7.721 3.913 15.624 1.00 25.00 N ATOM 640 CA SER A 44 9.000 3.556 15.044 1.00 25.00 C ATOM 641 C SER A 44 9.827 4.672 14.365 1.00 25.00 C ATOM 642 O SER A 44 10.899 4.885 14.797 1.00 25.00 O ATOM 643 CB SER A 44 8.851 2.348 14.107 1.00 25.00 C ATOM 644 OG SER A 44 10.027 1.600 13.971 1.00 25.00 O ATOM 0 H SER A 44 7.705 3.651 16.610 1.00 25.00 H new ATOM 0 HA SER A 44 9.600 3.311 15.920 1.00 25.00 H new ATOM 0 HB2 SER A 44 8.059 1.701 14.484 1.00 25.00 H new ATOM 0 HB3 SER A 44 8.536 2.697 13.124 1.00 25.00 H new ATOM 0 HG SER A 44 9.867 0.846 13.365 1.00 25.00 H new ATOM 650 N GLY A 45 9.289 5.304 13.325 1.00 25.00 N ATOM 651 CA GLY A 45 9.989 6.293 12.573 1.00 25.00 C ATOM 652 C GLY A 45 10.201 7.577 13.308 1.00 25.00 C ATOM 653 O GLY A 45 9.664 7.616 14.442 1.00 25.00 O ATOM 0 H GLY A 45 8.341 5.128 12.992 1.00 25.00 H new ATOM 0 HA2 GLY A 45 10.958 5.891 12.277 1.00 25.00 H new ATOM 0 HA3 GLY A 45 9.435 6.498 11.657 1.00 25.00 H new ATOM 657 N PRO A 46 10.909 8.601 12.768 1.00 25.00 N ATOM 658 CA PRO A 46 11.215 9.905 13.320 1.00 25.00 C ATOM 659 C PRO A 46 9.951 10.722 13.424 1.00 25.00 C ATOM 660 O PRO A 46 8.889 10.382 12.842 1.00 25.00 O ATOM 661 CB PRO A 46 12.244 10.491 12.320 1.00 25.00 C ATOM 662 CG PRO A 46 11.926 9.806 11.022 1.00 25.00 C ATOM 663 CD PRO A 46 11.403 8.508 11.356 1.00 25.00 C ATOM 0 HA PRO A 46 11.622 9.884 14.331 1.00 25.00 H new ATOM 0 HB2 PRO A 46 12.145 11.573 12.234 1.00 25.00 H new ATOM 0 HB3 PRO A 46 13.267 10.289 12.637 1.00 25.00 H new ATOM 0 HG2 PRO A 46 11.198 10.381 10.449 1.00 25.00 H new ATOM 0 HG3 PRO A 46 12.819 9.716 10.403 1.00 25.00 H new ATOM 0 HD2 PRO A 46 10.595 8.229 10.680 1.00 25.00 H new ATOM 0 HD3 PRO A 46 12.174 7.743 11.264 1.00 25.00 H new ATOM 671 N ALA A 47 10.044 11.843 14.121 1.00 25.00 N ATOM 672 CA ALA A 47 8.859 12.697 14.273 1.00 25.00 C ATOM 673 C ALA A 47 8.387 13.100 12.863 1.00 25.00 C ATOM 674 O ALA A 47 9.155 13.418 11.994 1.00 25.00 O ATOM 675 CB ALA A 47 9.196 13.957 15.102 1.00 25.00 C ATOM 0 H ALA A 47 10.891 12.181 14.578 1.00 25.00 H new ATOM 0 HA ALA A 47 8.074 12.156 14.800 1.00 25.00 H new ATOM 0 HB1 ALA A 47 8.304 14.576 15.202 1.00 25.00 H new ATOM 0 HB2 ALA A 47 9.544 13.659 16.091 1.00 25.00 H new ATOM 0 HB3 ALA A 47 9.977 14.526 14.598 1.00 25.00 H new ATOM 681 N ASP A 48 7.103 13.060 12.596 1.00 25.00 N ATOM 682 CA ASP A 48 6.662 13.157 11.145 1.00 25.00 C ATOM 683 C ASP A 48 6.652 14.596 10.771 1.00 25.00 C ATOM 684 O ASP A 48 6.092 15.451 11.506 1.00 25.00 O ATOM 685 CB ASP A 48 5.227 12.585 10.885 1.00 25.00 C ATOM 686 CG ASP A 48 5.013 11.171 11.402 1.00 25.00 C ATOM 687 OD1 ASP A 48 5.624 10.284 10.796 1.00 25.00 O ATOM 688 OD2 ASP A 48 4.253 10.910 12.354 1.00 25.00 O1- ATOM 0 H ASP A 48 6.356 12.968 13.284 1.00 25.00 H new ATOM 0 HA ASP A 48 7.359 12.563 10.553 1.00 25.00 H new ATOM 0 HB2 ASP A 48 4.496 13.245 11.352 1.00 25.00 H new ATOM 0 HB3 ASP A 48 5.031 12.601 9.813 1.00 25.00 H new ATOM 693 N GLY A 49 7.277 14.986 9.639 1.00 25.00 N ATOM 694 CA GLY A 49 7.368 16.397 9.222 1.00 25.00 C ATOM 695 C GLY A 49 8.135 17.314 10.167 1.00 25.00 C ATOM 696 O GLY A 49 8.080 18.518 9.847 1.00 25.00 O ATOM 0 H GLY A 49 7.728 14.336 8.995 1.00 25.00 H new ATOM 0 HA2 GLY A 49 7.841 16.438 8.241 1.00 25.00 H new ATOM 0 HA3 GLY A 49 6.358 16.789 9.105 1.00 25.00 H new ATOM 700 N GLN A 50 8.739 16.809 11.253 1.00 25.00 N ATOM 701 CA GLN A 50 9.309 17.622 12.358 1.00 25.00 C ATOM 702 C GLN A 50 8.322 18.788 12.690 1.00 25.00 C ATOM 703 O GLN A 50 8.699 19.922 12.955 1.00 25.00 O ATOM 704 CB GLN A 50 10.744 18.032 11.988 1.00 25.00 C ATOM 705 CG GLN A 50 11.657 18.236 13.221 1.00 25.00 C ATOM 706 CD GLN A 50 11.932 16.913 14.025 1.00 25.00 C ATOM 707 OE1 GLN A 50 12.299 15.852 13.494 1.00 25.00 O ATOM 708 NE2 GLN A 50 11.752 16.969 15.263 1.00 25.00 N ATOM 0 H GLN A 50 8.851 15.806 11.398 1.00 25.00 H new ATOM 0 HA GLN A 50 9.407 17.062 13.288 1.00 25.00 H new ATOM 0 HB2 GLN A 50 11.179 17.267 11.344 1.00 25.00 H new ATOM 0 HB3 GLN A 50 10.713 18.956 11.410 1.00 25.00 H new ATOM 0 HG2 GLN A 50 12.608 18.657 12.893 1.00 25.00 H new ATOM 0 HG3 GLN A 50 11.197 18.967 13.886 1.00 25.00 H new ATOM 0 HE21 GLN A 50 11.451 17.842 15.696 1.00 25.00 H new ATOM 0 HE22 GLN A 50 11.907 16.141 15.839 1.00 25.00 H new ATOM 717 N ILE A 51 7.010 18.522 12.672 1.00 25.00 N ATOM 718 CA ILE A 51 6.008 19.594 12.880 1.00 25.00 C ATOM 719 C ILE A 51 5.990 20.039 14.349 1.00 25.00 C ATOM 720 O ILE A 51 5.849 21.252 14.581 1.00 25.00 O ATOM 721 CB ILE A 51 4.580 19.114 12.477 1.00 25.00 C ATOM 722 CG1 ILE A 51 4.588 18.689 11.024 1.00 25.00 C ATOM 723 CG2 ILE A 51 3.522 20.173 12.695 1.00 25.00 C ATOM 724 CD1 ILE A 51 3.279 17.987 10.475 1.00 25.00 C ATOM 0 H ILE A 51 6.615 17.594 12.519 1.00 25.00 H new ATOM 0 HA ILE A 51 6.293 20.434 12.247 1.00 25.00 H new ATOM 0 HB ILE A 51 4.324 18.273 13.121 1.00 25.00 H new ATOM 0 HG12 ILE A 51 4.781 19.571 10.414 1.00 25.00 H new ATOM 0 HG13 ILE A 51 5.426 18.008 10.874 1.00 25.00 H new ATOM 0 HG21 ILE A 51 2.549 19.782 12.397 1.00 25.00 H new ATOM 0 HG22 ILE A 51 3.495 20.449 13.749 1.00 25.00 H new ATOM 0 HG23 ILE A 51 3.759 21.052 12.096 1.00 25.00 H new ATOM 0 HD11 ILE A 51 3.416 17.734 9.424 1.00 25.00 H new ATOM 0 HD12 ILE A 51 3.087 17.078 11.045 1.00 25.00 H new ATOM 0 HD13 ILE A 51 2.432 18.665 10.577 1.00 25.00 H new ATOM 736 N ALA A 52 6.072 19.127 15.289 1.00 25.00 N ATOM 737 CA ALA A 52 5.803 19.475 16.697 1.00 25.00 C ATOM 738 C ALA A 52 6.841 20.392 17.328 1.00 25.00 C ATOM 739 O ALA A 52 6.490 21.199 18.230 1.00 25.00 O ATOM 740 CB ALA A 52 5.679 18.234 17.491 1.00 25.00 C ATOM 0 H ALA A 52 6.317 18.150 15.127 1.00 25.00 H new ATOM 0 HA ALA A 52 4.871 20.040 16.700 1.00 25.00 H new ATOM 0 HB1 ALA A 52 5.480 18.487 18.532 1.00 25.00 H new ATOM 0 HB2 ALA A 52 4.858 17.633 17.100 1.00 25.00 H new ATOM 0 HB3 ALA A 52 6.607 17.666 17.426 1.00 25.00 H new ATOM 746 N SER A 53 8.134 20.141 16.998 1.00 25.00 N ATOM 747 CA SER A 53 9.225 20.887 17.541 1.00 25.00 C ATOM 748 C SER A 53 9.476 22.122 16.670 1.00 25.00 C ATOM 749 O SER A 53 10.276 23.021 17.055 1.00 25.00 O ATOM 750 CB SER A 53 10.430 19.976 17.591 1.00 25.00 C ATOM 751 OG SER A 53 10.804 19.469 16.366 1.00 25.00 O ATOM 0 H SER A 53 8.416 19.409 16.346 1.00 25.00 H new ATOM 0 HA SER A 53 9.007 21.238 18.550 1.00 25.00 H new ATOM 0 HB2 SER A 53 11.270 20.525 18.016 1.00 25.00 H new ATOM 0 HB3 SER A 53 10.217 19.147 18.266 1.00 25.00 H new ATOM 0 HG SER A 53 11.761 19.627 16.225 1.00 25.00 H new ATOM 757 N ALA A 54 8.920 22.115 15.460 1.00 25.00 N ATOM 758 CA ALA A 54 8.729 23.267 14.507 1.00 25.00 C ATOM 759 C ALA A 54 9.932 24.075 13.960 1.00 25.00 C ATOM 760 O ALA A 54 9.831 24.687 12.918 1.00 25.00 O ATOM 761 CB ALA A 54 7.713 24.257 15.145 1.00 25.00 C ATOM 0 H ALA A 54 8.554 21.248 15.066 1.00 25.00 H new ATOM 0 HA ALA A 54 8.401 22.751 13.604 1.00 25.00 H new ATOM 0 HB1 ALA A 54 7.557 25.101 14.474 1.00 25.00 H new ATOM 0 HB2 ALA A 54 6.764 23.747 15.313 1.00 25.00 H new ATOM 0 HB3 ALA A 54 8.104 24.617 16.096 1.00 25.00 H new ATOM 767 N GLY A 55 11.074 23.956 14.590 1.00 25.00 N ATOM 768 CA GLY A 55 12.288 24.537 14.087 1.00 25.00 C ATOM 769 C GLY A 55 12.791 23.801 12.846 1.00 25.00 C ATOM 770 O GLY A 55 13.401 24.368 11.959 1.00 25.00 O ATOM 0 H GLY A 55 11.185 23.451 15.469 1.00 25.00 H new ATOM 0 HA2 GLY A 55 12.117 25.586 13.844 1.00 25.00 H new ATOM 0 HA3 GLY A 55 13.054 24.510 14.862 1.00 25.00 H new ATOM 774 N GLY A 56 12.391 22.547 12.774 1.00 25.00 N ATOM 775 CA GLY A 56 12.529 21.750 11.519 1.00 25.00 C ATOM 776 C GLY A 56 11.619 22.165 10.359 1.00 25.00 C ATOM 777 O GLY A 56 11.787 21.675 9.217 1.00 25.00 O ATOM 0 H GLY A 56 11.968 22.039 13.551 1.00 25.00 H new ATOM 0 HA2 GLY A 56 13.564 21.813 11.184 1.00 25.00 H new ATOM 0 HA3 GLY A 56 12.333 20.704 11.753 1.00 25.00 H new ATOM 781 N LEU A 57 10.609 23.018 10.558 1.00 25.00 N ATOM 782 CA LEU A 57 9.831 23.562 9.426 1.00 25.00 C ATOM 783 C LEU A 57 10.486 24.825 8.775 1.00 25.00 C ATOM 784 O LEU A 57 10.314 25.138 7.621 1.00 25.00 O ATOM 785 CB LEU A 57 8.477 24.004 10.000 1.00 25.00 C ATOM 786 CG LEU A 57 7.676 22.863 10.580 1.00 25.00 C ATOM 787 CD1 LEU A 57 6.437 23.503 11.044 1.00 50.00 C ATOM 788 CD2 LEU A 57 7.284 21.762 9.530 1.00 50.00 C ATOM 0 H LEU A 57 10.309 23.347 11.476 1.00 25.00 H new ATOM 0 HA LEU A 57 9.764 22.791 8.658 1.00 25.00 H new ATOM 0 HB2 LEU A 57 8.645 24.752 10.775 1.00 25.00 H new ATOM 0 HB3 LEU A 57 7.896 24.485 9.213 1.00 25.00 H new ATOM 0 HG LEU A 57 8.260 22.353 11.346 1.00 25.00 H new ATOM 0 HD11 LEU A 57 5.782 22.751 11.485 1.00 50.00 H new ATOM 0 HD12 LEU A 57 6.676 24.260 11.791 1.00 50.00 H new ATOM 0 HD13 LEU A 57 5.932 23.973 10.200 1.00 50.00 H new ATOM 0 HD21 LEU A 57 6.711 20.977 10.023 1.00 50.00 H new ATOM 0 HD22 LEU A 57 6.681 22.210 8.740 1.00 50.00 H new ATOM 0 HD23 LEU A 57 8.188 21.334 9.097 1.00 50.00 H new ATOM 800 N PHE A 58 11.357 25.461 9.578 1.00 25.00 N ATOM 801 CA PHE A 58 12.134 26.550 9.017 1.00 25.00 C ATOM 802 C PHE A 58 13.287 25.758 8.270 1.00 25.00 C ATOM 803 O PHE A 58 13.759 26.099 7.182 1.00 25.00 O ATOM 804 CB PHE A 58 12.732 27.458 10.126 1.00 25.00 C ATOM 805 CG PHE A 58 11.697 28.203 10.852 1.00 25.00 C ATOM 806 CD1 PHE A 58 11.141 27.709 12.044 1.00 50.00 C ATOM 807 CD2 PHE A 58 11.327 29.502 10.430 1.00 50.00 C ATOM 808 CE1 PHE A 58 10.291 28.564 12.844 1.00 25.00 C ATOM 809 CE2 PHE A 58 10.430 30.315 11.181 1.00 25.00 C ATOM 810 CZ PHE A 58 9.926 29.864 12.379 1.00 25.00 C ATOM 0 H PHE A 58 11.527 25.248 10.561 1.00 25.00 H new ATOM 0 HA PHE A 58 11.553 27.220 8.383 1.00 25.00 H new ATOM 0 HB2 PHE A 58 13.297 26.846 10.829 1.00 25.00 H new ATOM 0 HB3 PHE A 58 13.435 28.160 9.678 1.00 25.00 H new ATOM 0 HD1 PHE A 58 11.347 26.697 12.361 1.00 50.00 H new ATOM 0 HD2 PHE A 58 11.738 29.889 9.509 1.00 50.00 H new ATOM 0 HE1 PHE A 58 9.930 28.216 13.801 1.00 25.00 H new ATOM 0 HE2 PHE A 58 10.145 31.288 10.809 1.00 25.00 H new ATOM 0 HZ PHE A 58 9.262 30.486 12.961 1.00 25.00 H new ATOM 820 N GLY A 59 13.684 24.650 8.903 1.00 25.00 N ATOM 821 CA GLY A 59 14.654 23.741 8.273 1.00 25.00 C ATOM 822 C GLY A 59 14.094 23.016 7.082 1.00 25.00 C ATOM 823 O GLY A 59 14.903 22.480 6.266 1.00 25.00 O ATOM 0 H GLY A 59 13.361 24.363 9.827 1.00 25.00 H new ATOM 0 HA2 GLY A 59 15.530 24.311 7.965 1.00 25.00 H new ATOM 0 HA3 GLY A 59 14.991 23.012 9.010 1.00 25.00 H new ATOM 827 N GLY A 60 12.799 23.062 6.857 1.00 25.00 N ATOM 828 CA GLY A 60 12.142 22.321 5.770 1.00 25.00 C ATOM 829 C GLY A 60 12.508 22.919 4.395 1.00 25.00 C ATOM 830 O GLY A 60 12.384 22.271 3.391 1.00 25.00 O ATOM 0 H GLY A 60 12.155 23.616 7.421 1.00 25.00 H new ATOM 0 HA2 GLY A 60 12.441 21.273 5.806 1.00 25.00 H new ATOM 0 HA3 GLY A 60 11.061 22.349 5.907 1.00 25.00 H new ATOM 834 N ILE A 61 12.906 24.172 4.406 1.00 25.00 N ATOM 835 CA ILE A 61 13.382 24.803 3.173 1.00 25.00 C ATOM 836 C ILE A 61 14.691 24.070 2.767 1.00 25.00 C ATOM 837 O ILE A 61 14.868 23.682 1.636 1.00 25.00 O ATOM 838 CB ILE A 61 13.556 26.337 3.403 1.00 25.00 C ATOM 839 CG1 ILE A 61 12.230 26.965 3.756 1.00 25.00 C ATOM 840 CG2 ILE A 61 14.136 26.944 2.157 1.00 25.00 C ATOM 841 CD1 ILE A 61 12.293 28.490 3.899 1.00 25.00 C ATOM 0 H ILE A 61 12.914 24.772 5.231 1.00 25.00 H new ATOM 0 HA ILE A 61 12.672 24.712 2.351 1.00 25.00 H new ATOM 0 HB ILE A 61 14.234 26.520 4.237 1.00 25.00 H new ATOM 0 HG12 ILE A 61 11.500 26.710 2.987 1.00 25.00 H new ATOM 0 HG13 ILE A 61 11.871 26.535 4.691 1.00 25.00 H new ATOM 0 HG21 ILE A 61 14.264 28.017 2.301 1.00 25.00 H new ATOM 0 HG22 ILE A 61 15.103 26.488 1.946 1.00 25.00 H new ATOM 0 HG23 ILE A 61 13.462 26.768 1.319 1.00 25.00 H new ATOM 0 HD11 ILE A 61 11.305 28.873 4.153 1.00 25.00 H new ATOM 0 HD12 ILE A 61 12.998 28.753 4.688 1.00 25.00 H new ATOM 0 HD13 ILE A 61 12.621 28.930 2.958 1.00 25.00 H new ATOM 853 N LEU A 62 15.540 23.822 3.750 1.00 25.00 N ATOM 854 CA LEU A 62 16.833 23.152 3.447 1.00 25.00 C ATOM 855 C LEU A 62 16.540 21.686 3.171 1.00 25.00 C ATOM 856 O LEU A 62 17.301 21.051 2.546 1.00 25.00 O ATOM 857 CB LEU A 62 17.831 23.265 4.595 1.00 25.00 C ATOM 858 CG LEU A 62 18.392 24.669 4.738 1.00 25.00 C ATOM 859 CD1 LEU A 62 17.498 25.840 5.102 1.00 75.00 C ATOM 860 CD2 LEU A 62 19.527 24.608 5.749 1.00 75.00 C ATOM 0 H LEU A 62 15.386 24.055 4.731 1.00 25.00 H new ATOM 0 HA LEU A 62 17.287 23.641 2.585 1.00 25.00 H new ATOM 0 HB2 LEU A 62 17.344 22.975 5.526 1.00 25.00 H new ATOM 0 HB3 LEU A 62 18.650 22.564 4.431 1.00 25.00 H new ATOM 0 HG LEU A 62 18.661 24.914 3.711 1.00 25.00 H new ATOM 0 HD11 LEU A 62 18.094 26.751 5.153 1.00 75.00 H new ATOM 0 HD12 LEU A 62 16.723 25.956 4.344 1.00 75.00 H new ATOM 0 HD13 LEU A 62 17.033 25.656 6.071 1.00 75.00 H new ATOM 0 HD21 LEU A 62 19.954 25.603 5.877 1.00 75.00 H new ATOM 0 HD22 LEU A 62 19.144 24.252 6.705 1.00 75.00 H new ATOM 0 HD23 LEU A 62 20.297 23.925 5.390 1.00 75.00 H new ATOM 872 N ASP A 63 15.454 21.183 3.687 1.00 25.00 N ATOM 873 CA ASP A 63 15.197 19.777 3.589 1.00 25.00 C ATOM 874 C ASP A 63 14.781 19.384 2.152 1.00 25.00 C ATOM 875 O ASP A 63 14.943 18.267 1.678 1.00 25.00 O ATOM 876 CB ASP A 63 14.106 19.379 4.560 1.00 25.00 C ATOM 877 CG ASP A 63 13.923 17.925 4.582 1.00 25.00 C ATOM 878 OD1 ASP A 63 12.842 17.497 4.141 1.00 50.00 O ATOM 879 OD2 ASP A 63 14.844 17.160 5.001 1.00 50.00 O1- ATOM 0 H ASP A 63 14.739 21.722 4.176 1.00 25.00 H new ATOM 0 HA ASP A 63 16.118 19.249 3.838 1.00 25.00 H new ATOM 0 HB2 ASP A 63 14.359 19.732 5.560 1.00 25.00 H new ATOM 0 HB3 ASP A 63 13.170 19.862 4.278 1.00 25.00 H new ATOM 884 N GLN A 64 14.308 20.321 1.376 1.00 25.00 N ATOM 885 CA GLN A 64 13.904 20.120 0.000 1.00 25.00 C ATOM 886 C GLN A 64 14.993 20.698 -0.913 1.00 25.00 C ATOM 887 O GLN A 64 14.856 20.870 -2.075 1.00 25.00 O ATOM 888 CB GLN A 64 12.551 20.802 -0.350 1.00 25.00 C ATOM 889 CG GLN A 64 12.410 22.342 -0.247 1.00 25.00 C ATOM 890 CD GLN A 64 10.999 22.823 -0.292 1.00 25.00 C ATOM 891 OE1 GLN A 64 10.344 22.790 -1.266 1.00 25.00 O ATOM 892 NE2 GLN A 64 10.472 23.125 0.819 1.00 25.00 N ATOM 0 H GLN A 64 14.187 21.283 1.691 1.00 25.00 H new ATOM 0 HA GLN A 64 13.771 19.048 -0.146 1.00 25.00 H new ATOM 0 HB2 GLN A 64 12.302 20.521 -1.373 1.00 25.00 H new ATOM 0 HB3 GLN A 64 11.790 20.363 0.295 1.00 25.00 H new ATOM 0 HG2 GLN A 64 12.869 22.678 0.683 1.00 25.00 H new ATOM 0 HG3 GLN A 64 12.967 22.804 -1.062 1.00 25.00 H new ATOM 0 HE21 GLN A 64 11.043 23.153 1.664 1.00 25.00 H new ATOM 0 HE22 GLN A 64 9.476 23.340 0.869 1.00 25.00 H new ATOM 901 N GLN A 65 16.153 20.915 -0.300 1.00 25.00 N ATOM 902 CA GLN A 65 17.357 21.412 -1.013 1.00 25.00 C ATOM 903 C GLN A 65 18.401 20.431 -0.596 1.00 25.00 C ATOM 904 O GLN A 65 19.441 20.835 -0.061 1.00 25.00 O ATOM 905 CB GLN A 65 17.683 22.795 -0.504 1.00 25.00 C ATOM 906 CG GLN A 65 16.761 23.867 -0.992 1.00 25.00 C ATOM 907 CD GLN A 65 16.969 25.177 -0.410 1.00 25.00 C ATOM 908 OE1 GLN A 65 17.856 25.402 0.437 1.00 25.00 O ATOM 909 NE2 GLN A 65 16.140 26.119 -0.740 1.00 25.00 N ATOM 0 H GLN A 65 16.299 20.757 0.697 1.00 25.00 H new ATOM 0 HA GLN A 65 17.253 21.487 -2.095 1.00 25.00 H new ATOM 0 HB2 GLN A 65 17.661 22.782 0.586 1.00 25.00 H new ATOM 0 HB3 GLN A 65 18.702 23.047 -0.799 1.00 25.00 H new ATOM 0 HG2 GLN A 65 16.866 23.948 -2.074 1.00 25.00 H new ATOM 0 HG3 GLN A 65 15.735 23.558 -0.793 1.00 25.00 H new ATOM 0 HE21 GLN A 65 15.413 25.939 -1.432 1.00 25.00 H new ATOM 0 HE22 GLN A 65 16.215 27.039 -0.307 1.00 25.00 H new ATOM 918 N SER A 66 18.125 19.144 -0.704 1.00 25.00 N ATOM 919 CA SER A 66 18.890 18.066 0.004 1.00 25.00 C ATOM 920 C SER A 66 18.680 16.916 -0.939 1.00 25.00 C ATOM 921 O SER A 66 18.160 17.188 -2.013 1.00 25.00 O ATOM 922 CB SER A 66 18.358 17.800 1.417 1.00 25.00 C ATOM 923 OG SER A 66 19.355 17.328 2.252 1.00 25.00 O ATOM 0 H SER A 66 17.364 18.788 -1.282 1.00 25.00 H new ATOM 0 HA SER A 66 19.938 18.298 0.192 1.00 25.00 H new ATOM 0 HB2 SER A 66 17.941 18.719 1.829 1.00 25.00 H new ATOM 0 HB3 SER A 66 17.546 17.074 1.371 1.00 25.00 H new ATOM 0 HG SER A 66 18.985 17.170 3.146 1.00 25.00 H new ATOM 929 N GLU A 67 19.198 15.743 -0.676 1.00 25.00 N ATOM 930 CA GLU A 67 18.994 14.655 -1.678 1.00 25.00 C ATOM 931 C GLU A 67 17.483 14.177 -1.832 1.00 25.00 C ATOM 932 O GLU A 67 17.040 13.789 -2.881 1.00 25.00 O ATOM 933 CB GLU A 67 19.782 13.446 -1.194 1.00 25.00 C ATOM 934 CG GLU A 67 20.084 12.370 -2.265 1.00 25.00 C ATOM 935 CD GLU A 67 20.799 12.991 -3.485 1.00 25.00 C ATOM 936 OE1 GLU A 67 20.417 12.697 -4.619 1.00 25.00 O ATOM 937 OE2 GLU A 67 21.788 13.833 -3.378 1.00 25.00 O1- ATOM 0 H GLU A 67 19.734 15.497 0.156 1.00 25.00 H new ATOM 0 HA GLU A 67 19.312 15.050 -2.643 1.00 25.00 H new ATOM 0 HB2 GLU A 67 20.728 13.794 -0.778 1.00 25.00 H new ATOM 0 HB3 GLU A 67 19.229 12.977 -0.380 1.00 25.00 H new ATOM 0 HG2 GLU A 67 20.707 11.587 -1.833 1.00 25.00 H new ATOM 0 HG3 GLU A 67 19.155 11.898 -2.584 1.00 25.00 H new ATOM 944 N ASN A 68 16.662 14.510 -0.842 1.00 25.00 N ATOM 945 CA ASN A 68 15.191 14.424 -0.964 1.00 25.00 C ATOM 946 C ASN A 68 14.653 15.821 -1.390 1.00 25.00 C ATOM 947 O ASN A 68 13.702 16.347 -0.858 1.00 25.00 O ATOM 948 CB ASN A 68 14.461 13.912 0.271 1.00 25.00 C ATOM 949 CG ASN A 68 14.774 12.498 0.586 1.00 25.00 C ATOM 950 OD1 ASN A 68 14.837 11.646 -0.295 1.00 25.00 O ATOM 951 ND2 ASN A 68 15.054 12.192 1.848 1.00 25.00 N ATOM 0 H ASN A 68 16.983 14.846 0.066 1.00 25.00 H new ATOM 0 HA ASN A 68 14.983 13.667 -1.721 1.00 25.00 H new ATOM 0 HB2 ASN A 68 14.724 14.535 1.126 1.00 25.00 H new ATOM 0 HB3 ASN A 68 13.387 14.015 0.120 1.00 25.00 H new ATOM 0 HD21 ASN A 68 15.325 11.240 2.094 1.00 25.00 H new ATOM 0 HD22 ASN A 68 14.998 12.909 2.571 1.00 25.00 H new ATOM 958 N ARG A 69 15.282 16.370 -2.409 1.00 25.00 N ATOM 959 CA ARG A 69 14.744 17.390 -3.315 1.00 25.00 C ATOM 960 C ARG A 69 14.028 16.514 -4.307 1.00 25.00 C ATOM 961 O ARG A 69 14.564 15.820 -5.159 1.00 25.00 O ATOM 962 CB ARG A 69 15.817 18.145 -4.038 1.00 25.00 C ATOM 963 CG ARG A 69 15.322 19.072 -5.187 1.00 25.00 C ATOM 964 CD ARG A 69 16.493 19.561 -6.099 1.00 25.00 C ATOM 965 NE ARG A 69 17.682 20.071 -5.363 1.00 25.00 N ATOM 966 CZ ARG A 69 17.915 21.264 -4.866 1.00 25.00 C ATOM 967 NH1 ARG A 69 17.136 22.330 -5.036 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 18.986 21.516 -4.140 1.00 25.00 N ATOM 0 H ARG A 69 16.238 16.108 -2.649 1.00 25.00 H new ATOM 0 HA ARG A 69 14.150 18.147 -2.802 1.00 25.00 H new ATOM 0 HB2 ARG A 69 16.362 18.751 -3.314 1.00 25.00 H new ATOM 0 HB3 ARG A 69 16.526 17.428 -4.452 1.00 25.00 H new ATOM 0 HG2 ARG A 69 14.591 18.537 -5.793 1.00 25.00 H new ATOM 0 HG3 ARG A 69 14.812 19.935 -4.760 1.00 25.00 H new ATOM 0 HD2 ARG A 69 16.805 18.736 -6.740 1.00 25.00 H new ATOM 0 HD3 ARG A 69 16.121 20.350 -6.753 1.00 25.00 H new ATOM 0 HE ARG A 69 18.429 19.391 -5.224 1.00 25.00 H new ATOM 0 HH11 ARG A 69 16.282 22.255 -5.589 1.00 25.00 H new ATOM 0 HH12 ARG A 69 17.393 23.222 -4.613 1.00 25.00 H new ATOM 0 HH21 ARG A 69 19.660 20.774 -3.951 1.00 25.00 H new ATOM 0 HH22 ARG A 69 19.141 22.453 -3.767 1.00 25.00 H new ATOM 982 N TRP A 70 12.766 16.521 -3.968 1.00 25.00 N ATOM 983 CA TRP A 70 11.762 15.683 -4.605 1.00 25.00 C ATOM 984 C TRP A 70 11.573 16.085 -6.078 1.00 25.00 C ATOM 985 O TRP A 70 12.028 17.209 -6.406 1.00 25.00 O ATOM 986 CB TRP A 70 10.421 15.784 -3.898 1.00 25.00 C ATOM 987 CG TRP A 70 10.237 14.896 -2.683 1.00 25.00 C ATOM 988 CD1 TRP A 70 10.995 14.872 -1.583 1.00 25.00 C ATOM 989 CD2 TRP A 70 9.103 14.035 -2.380 1.00 25.00 C ATOM 990 NE1 TRP A 70 10.480 14.063 -0.590 1.00 25.00 N ATOM 991 CE2 TRP A 70 9.322 13.514 -1.060 1.00 25.00 C ATOM 992 CE3 TRP A 70 8.075 13.459 -3.175 1.00 25.00 C ATOM 993 CZ2 TRP A 70 8.376 12.655 -0.403 1.00 25.00 C ATOM 994 CZ3 TRP A 70 7.211 12.482 -2.575 1.00 25.00 C ATOM 995 CH2 TRP A 70 7.399 12.148 -1.174 1.00 25.00 C ATOM 0 H TRP A 70 12.392 17.117 -3.229 1.00 25.00 H new ATOM 0 HA TRP A 70 12.120 14.655 -4.543 1.00 25.00 H new ATOM 0 HB2 TRP A 70 10.272 16.819 -3.591 1.00 25.00 H new ATOM 0 HB3 TRP A 70 9.636 15.548 -4.617 1.00 25.00 H new ATOM 0 HD1 TRP A 70 11.915 15.428 -1.481 1.00 25.00 H new ATOM 0 HE1 TRP A 70 10.891 13.904 0.330 1.00 25.00 H new ATOM 0 HE3 TRP A 70 7.947 13.750 -4.207 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 8.446 12.430 0.651 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 6.435 12.004 -3.155 1.00 25.00 H new ATOM 0 HH2 TRP A 70 6.710 11.448 -0.724 1.00 25.00 H new ATOM 1006 N PHE A 71 10.970 15.256 -6.920 1.00 25.00 N ATOM 1007 CA PHE A 71 10.924 15.520 -8.361 1.00 25.00 C ATOM 1008 C PHE A 71 10.236 16.834 -8.686 1.00 25.00 C ATOM 1009 O PHE A 71 9.252 17.203 -8.054 1.00 25.00 O ATOM 1010 CB PHE A 71 10.296 14.377 -9.119 1.00 25.00 C ATOM 1011 CG PHE A 71 8.839 14.034 -8.758 1.00 25.00 C ATOM 1012 CD1 PHE A 71 8.613 13.095 -7.745 1.00 50.00 C ATOM 1013 CD2 PHE A 71 7.772 14.544 -9.498 1.00 50.00 C ATOM 1014 CE1 PHE A 71 7.293 12.644 -7.452 1.00 25.00 C ATOM 1015 CE2 PHE A 71 6.444 14.102 -9.265 1.00 25.00 C ATOM 1016 CZ PHE A 71 6.211 13.101 -8.203 1.00 25.00 C ATOM 0 H PHE A 71 10.505 14.394 -6.635 1.00 25.00 H new ATOM 0 HA PHE A 71 11.959 15.610 -8.690 1.00 25.00 H new ATOM 0 HB2 PHE A 71 10.339 14.609 -10.183 1.00 25.00 H new ATOM 0 HB3 PHE A 71 10.905 13.487 -8.962 1.00 25.00 H new ATOM 0 HD1 PHE A 71 9.448 12.708 -7.179 1.00 50.00 H new ATOM 0 HD2 PHE A 71 7.960 15.286 -10.260 1.00 50.00 H new ATOM 0 HE1 PHE A 71 7.130 11.945 -6.645 1.00 25.00 H new ATOM 0 HE2 PHE A 71 5.622 14.488 -9.850 1.00 25.00 H new ATOM 0 HZ PHE A 71 5.216 12.728 -8.011 1.00 25.00 H new ATOM 1026 N LYS A 72 10.716 17.477 -9.739 1.00 25.00 N ATOM 1027 CA LYS A 72 10.239 18.767 -10.216 1.00 25.00 C ATOM 1028 C LYS A 72 9.965 18.599 -11.719 1.00 25.00 C ATOM 1029 O LYS A 72 10.645 17.822 -12.359 1.00 25.00 O ATOM 1030 CB LYS A 72 11.206 19.940 -9.895 1.00 25.00 C ATOM 1031 CG LYS A 72 11.413 20.022 -8.379 1.00 25.00 C ATOM 1032 CD LYS A 72 12.014 21.308 -7.948 1.00 25.00 C ATOM 1033 CE LYS A 72 12.027 21.413 -6.384 1.00 25.00 C ATOM 1034 NZ LYS A 72 12.467 22.802 -6.057 1.00 25.00 N1+ ATOM 0 H LYS A 72 11.476 17.102 -10.306 1.00 25.00 H new ATOM 0 HA LYS A 72 9.327 19.051 -9.692 1.00 25.00 H new ATOM 0 HB2 LYS A 72 12.161 19.787 -10.397 1.00 25.00 H new ATOM 0 HB3 LYS A 72 10.796 20.878 -10.269 1.00 25.00 H new ATOM 0 HG2 LYS A 72 10.454 19.889 -7.879 1.00 25.00 H new ATOM 0 HG3 LYS A 72 12.055 19.201 -8.060 1.00 25.00 H new ATOM 0 HD2 LYS A 72 13.031 21.387 -8.332 1.00 25.00 H new ATOM 0 HD3 LYS A 72 11.449 22.139 -8.369 1.00 25.00 H new ATOM 0 HE2 LYS A 72 11.037 21.213 -5.973 1.00 25.00 H new ATOM 0 HE3 LYS A 72 12.706 20.679 -5.951 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 12.492 22.924 -5.025 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 13.416 22.967 -6.449 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 11.799 23.484 -6.470 1.00 25.00 H new ATOM 1048 N HIS A 73 9.061 19.422 -12.260 1.00 25.00 N ATOM 1049 CA HIS A 73 8.833 19.456 -13.716 1.00 25.00 C ATOM 1050 C HIS A 73 8.632 20.873 -14.229 1.00 25.00 C ATOM 1051 O HIS A 73 8.156 21.724 -13.447 1.00 25.00 O ATOM 1052 CB HIS A 73 7.619 18.552 -14.106 1.00 25.00 C ATOM 1053 CG HIS A 73 7.925 17.101 -13.949 1.00 25.00 C ATOM 1054 ND1 HIS A 73 9.014 16.430 -14.522 1.00 25.00 N ATOM 1055 CD2 HIS A 73 7.257 16.140 -13.262 1.00 25.00 C ATOM 1056 CE1 HIS A 73 9.015 15.183 -14.142 1.00 25.00 C ATOM 1057 NE2 HIS A 73 7.956 14.981 -13.362 1.00 25.00 N ATOM 0 H HIS A 73 8.480 20.067 -11.724 1.00 25.00 H new ATOM 0 HA HIS A 73 9.731 19.063 -14.193 1.00 25.00 H new ATOM 0 HB2 HIS A 73 6.761 18.810 -13.485 1.00 25.00 H new ATOM 0 HB3 HIS A 73 7.336 18.752 -15.139 1.00 25.00 H new ATOM 0 HD2 HIS A 73 6.328 16.274 -12.727 1.00 25.00 H new ATOM 0 HE1 HIS A 73 9.750 14.440 -14.414 1.00 25.00 H new ATOM 0 HE2 HIS A 73 7.710 14.099 -12.913 1.00 25.00 H new ATOM 1065 N ILE A 74 9.005 21.143 -15.496 1.00 25.00 N ATOM 1066 CA ILE A 74 8.679 22.413 -16.129 1.00 25.00 C ATOM 1067 C ILE A 74 7.556 22.230 -17.156 1.00 25.00 C ATOM 1068 O ILE A 74 7.467 21.276 -17.891 1.00 25.00 O ATOM 1069 CB ILE A 74 10.036 23.063 -16.668 1.00 25.00 C ATOM 1070 CG1 ILE A 74 9.831 24.537 -17.177 1.00 25.00 C ATOM 1071 CG2 ILE A 74 10.625 22.196 -17.781 1.00 25.00 C ATOM 1072 CD1 ILE A 74 11.032 25.326 -17.492 1.00 25.00 C ATOM 0 H ILE A 74 9.528 20.497 -16.088 1.00 25.00 H new ATOM 0 HA ILE A 74 8.261 23.132 -15.425 1.00 25.00 H new ATOM 0 HB ILE A 74 10.732 23.106 -15.831 1.00 25.00 H new ATOM 0 HG12 ILE A 74 9.211 24.499 -18.072 1.00 25.00 H new ATOM 0 HG13 ILE A 74 9.264 25.078 -16.419 1.00 25.00 H new ATOM 0 HG21 ILE A 74 11.549 22.646 -18.142 1.00 25.00 H new ATOM 0 HG22 ILE A 74 10.834 21.199 -17.393 1.00 25.00 H new ATOM 0 HG23 ILE A 74 9.912 22.124 -18.602 1.00 25.00 H new ATOM 0 HD11 ILE A 74 10.737 26.319 -17.830 1.00 25.00 H new ATOM 0 HD12 ILE A 74 11.653 25.416 -16.600 1.00 25.00 H new ATOM 0 HD13 ILE A 74 11.598 24.828 -18.279 1.00 25.00 H new ATOM 1084 N MET A 75 6.583 23.122 -17.106 1.00 25.00 N ATOM 1085 CA MET A 75 5.463 23.157 -18.041 1.00 25.00 C ATOM 1086 C MET A 75 4.961 24.557 -18.330 1.00 25.00 C ATOM 1087 O MET A 75 5.421 25.501 -17.691 1.00 25.00 O ATOM 1088 CB MET A 75 4.305 22.389 -17.426 1.00 25.00 C ATOM 1089 CG MET A 75 4.239 20.962 -17.774 1.00 25.00 C ATOM 1090 SD MET A 75 2.784 20.169 -17.024 1.00 25.00 S ATOM 1091 CE MET A 75 3.158 20.266 -15.166 1.00 25.00 C ATOM 0 H MET A 75 6.545 23.859 -16.402 1.00 25.00 H new ATOM 0 HA MET A 75 5.820 22.725 -18.976 1.00 25.00 H new ATOM 0 HB2 MET A 75 4.367 22.479 -16.341 1.00 25.00 H new ATOM 0 HB3 MET A 75 3.373 22.864 -17.732 1.00 25.00 H new ATOM 0 HG2 MET A 75 4.199 20.851 -18.858 1.00 25.00 H new ATOM 0 HG3 MET A 75 5.145 20.460 -17.435 1.00 25.00 H new ATOM 0 HE1 MET A 75 2.458 19.634 -14.620 1.00 25.00 H new ATOM 0 HE2 MET A 75 4.176 19.923 -14.981 1.00 25.00 H new ATOM 0 HE3 MET A 75 3.055 21.297 -14.828 1.00 25.00 H new ATOM 1101 N THR A 76 4.066 24.677 -19.282 1.00 25.00 N ATOM 1102 CA THR A 76 3.316 25.868 -19.532 1.00 25.00 C ATOM 1103 C THR A 76 2.326 25.970 -18.361 1.00 25.00 C ATOM 1104 O THR A 76 1.976 25.034 -17.705 1.00 25.00 O ATOM 1105 CB THR A 76 2.602 25.830 -20.912 1.00 25.00 C ATOM 1106 OG1 THR A 76 1.762 24.661 -21.001 1.00 25.00 O ATOM 1107 CG2 THR A 76 3.569 25.693 -22.062 1.00 25.00 C ATOM 0 H THR A 76 3.838 23.916 -19.922 1.00 25.00 H new ATOM 0 HA THR A 76 3.959 26.747 -19.586 1.00 25.00 H new ATOM 0 HB THR A 76 2.049 26.767 -20.980 1.00 25.00 H new ATOM 0 HG1 THR A 76 1.314 24.645 -21.873 1.00 25.00 H new ATOM 0 HG21 THR A 76 3.017 25.672 -23.001 1.00 25.00 H new ATOM 0 HG22 THR A 76 4.255 26.540 -22.064 1.00 25.00 H new ATOM 0 HG23 THR A 76 4.135 24.768 -21.953 1.00 25.00 H new ATOM 1115 N GLY A 77 1.734 27.127 -18.203 1.00 25.00 N ATOM 1116 CA GLY A 77 0.677 27.262 -17.197 1.00 25.00 C ATOM 1117 C GLY A 77 -0.553 26.630 -17.787 1.00 25.00 C ATOM 1118 O GLY A 77 -0.515 26.250 -18.944 1.00 25.00 O ATOM 0 H GLY A 77 1.947 27.972 -18.733 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.960 26.768 -16.268 1.00 25.00 H new ATOM 0 HA3 GLY A 77 0.499 28.311 -16.959 1.00 25.00 H new ATOM 1122 N GLY A 78 -1.641 26.542 -17.091 1.00 25.00 N ATOM 1123 CA GLY A 78 -2.793 25.765 -17.555 1.00 25.00 C ATOM 1124 C GLY A 78 -3.333 24.763 -16.508 1.00 25.00 C ATOM 1125 O GLY A 78 -2.853 24.642 -15.343 1.00 25.00 O ATOM 0 H GLY A 78 -1.776 26.996 -16.188 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -3.593 26.451 -17.834 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -2.512 25.219 -18.456 1.00 25.00 H new ATOM 1129 N GLU A 79 -4.227 23.934 -17.005 1.00 25.00 N ATOM 1130 CA GLU A 79 -4.649 22.768 -16.225 1.00 25.00 C ATOM 1131 C GLU A 79 -3.512 21.671 -16.242 1.00 25.00 C ATOM 1132 O GLU A 79 -2.989 21.359 -17.333 1.00 25.00 O ATOM 1133 CB GLU A 79 -5.914 22.087 -16.814 1.00 25.00 C ATOM 1134 CG GLU A 79 -7.159 22.942 -16.646 1.00 25.00 C ATOM 1135 CD GLU A 79 -8.478 22.217 -16.869 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -9.070 21.807 -15.878 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -8.942 22.092 -18.006 1.00 25.00 O1- ATOM 0 H GLU A 79 -4.670 24.032 -17.918 1.00 25.00 H new ATOM 0 HA GLU A 79 -4.859 23.135 -15.220 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -5.755 21.884 -17.873 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -6.067 21.125 -16.325 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -7.159 23.362 -15.640 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -7.101 23.780 -17.341 1.00 25.00 H new ATOM 1144 N HIS A 80 -3.240 21.052 -15.104 1.00 25.00 N ATOM 1145 CA HIS A 80 -2.394 19.829 -14.983 1.00 25.00 C ATOM 1146 C HIS A 80 -3.111 18.745 -14.221 1.00 25.00 C ATOM 1147 O HIS A 80 -4.022 19.095 -13.431 1.00 25.00 O ATOM 1148 CB HIS A 80 -1.139 20.208 -14.208 1.00 25.00 C ATOM 1149 CG HIS A 80 -0.476 21.500 -14.646 1.00 25.00 C ATOM 1150 ND1 HIS A 80 -0.153 21.719 -15.954 1.00 25.00 N ATOM 1151 CD2 HIS A 80 -0.187 22.656 -14.010 1.00 25.00 C ATOM 1152 CE1 HIS A 80 0.293 22.941 -16.103 1.00 25.00 C ATOM 1153 NE2 HIS A 80 0.194 23.558 -14.952 1.00 25.00 N ATOM 0 H HIS A 80 -3.600 21.377 -14.206 1.00 25.00 H new ATOM 0 HA HIS A 80 -2.160 19.456 -15.980 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -1.394 20.289 -13.151 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -0.416 19.398 -14.300 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -0.248 22.831 -12.946 1.00 25.00 H new ATOM 0 HE1 HIS A 80 0.677 23.367 -17.018 1.00 25.00 H new ATOM 0 HE2 HIS A 80 0.373 24.549 -14.790 1.00 25.00 H new ATOM 1161 N THR A 81 -2.721 17.487 -14.364 1.00 25.00 N ATOM 1162 CA THR A 81 -3.478 16.370 -13.691 1.00 25.00 C ATOM 1163 C THR A 81 -2.520 15.726 -12.742 1.00 25.00 C ATOM 1164 O THR A 81 -1.341 15.646 -13.111 1.00 25.00 O ATOM 1165 CB THR A 81 -3.951 15.309 -14.685 1.00 25.00 C ATOM 1166 OG1 THR A 81 -4.467 15.918 -15.871 1.00 25.00 O ATOM 1167 CG2 THR A 81 -5.041 14.419 -14.110 1.00 25.00 C ATOM 0 H THR A 81 -1.916 17.190 -14.915 1.00 25.00 H new ATOM 0 HA THR A 81 -4.363 16.778 -13.201 1.00 25.00 H new ATOM 0 HB THR A 81 -3.076 14.700 -14.911 1.00 25.00 H new ATOM 0 HG1 THR A 81 -4.763 15.222 -16.494 1.00 25.00 H new ATOM 0 HG21 THR A 81 -5.341 13.683 -14.856 1.00 25.00 H new ATOM 0 HG22 THR A 81 -4.663 13.906 -13.226 1.00 25.00 H new ATOM 0 HG23 THR A 81 -5.902 15.029 -13.835 1.00 25.00 H new ATOM 1175 N PHE A 82 -2.943 15.309 -11.578 1.00 25.00 N ATOM 1176 CA PHE A 82 -2.060 14.714 -10.562 1.00 25.00 C ATOM 1177 C PHE A 82 -2.730 13.412 -10.267 1.00 25.00 C ATOM 1178 O PHE A 82 -3.916 13.349 -9.849 1.00 25.00 O ATOM 1179 CB PHE A 82 -2.093 15.591 -9.265 1.00 25.00 C ATOM 1180 CG PHE A 82 -1.432 16.891 -9.535 1.00 25.00 C ATOM 1181 CD1 PHE A 82 -0.101 17.093 -9.172 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -2.155 17.907 -10.163 1.00 50.00 C ATOM 1183 CE1 PHE A 82 0.565 18.238 -9.406 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -1.489 19.166 -10.482 1.00 25.00 C ATOM 1185 CZ PHE A 82 -0.115 19.294 -10.129 1.00 25.00 C ATOM 0 H PHE A 82 -3.919 15.366 -11.288 1.00 25.00 H new ATOM 0 HA PHE A 82 -1.023 14.624 -10.887 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -3.123 15.753 -8.948 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -1.586 15.075 -8.450 1.00 25.00 H new ATOM 0 HD1 PHE A 82 0.422 16.288 -8.677 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.196 17.763 -10.410 1.00 50.00 H new ATOM 0 HE1 PHE A 82 1.581 18.367 -9.064 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -2.019 19.972 -10.968 1.00 25.00 H new ATOM 0 HZ PHE A 82 0.426 20.188 -10.403 1.00 25.00 H new ATOM 1195 N THR A 83 -2.022 12.362 -10.618 1.00 25.00 N ATOM 1196 CA THR A 83 -2.464 10.940 -10.474 1.00 25.00 C ATOM 1197 C THR A 83 -1.436 10.085 -9.797 1.00 25.00 C ATOM 1198 O THR A 83 -0.363 9.836 -10.361 1.00 25.00 O ATOM 1199 CB THR A 83 -2.771 10.326 -11.843 1.00 25.00 C ATOM 1200 OG1 THR A 83 -3.755 11.137 -12.470 1.00 25.00 O ATOM 1201 CG2 THR A 83 -3.424 8.970 -11.682 1.00 25.00 C ATOM 0 H THR A 83 -1.091 12.447 -11.026 1.00 25.00 H new ATOM 0 HA THR A 83 -3.361 10.964 -9.855 1.00 25.00 H new ATOM 0 HB THR A 83 -1.841 10.250 -12.406 1.00 25.00 H new ATOM 0 HG1 THR A 83 -3.971 10.767 -13.352 1.00 25.00 H new ATOM 0 HG21 THR A 83 -3.635 8.549 -12.665 1.00 25.00 H new ATOM 0 HG22 THR A 83 -2.753 8.305 -11.139 1.00 25.00 H new ATOM 0 HG23 THR A 83 -4.355 9.078 -11.126 1.00 25.00 H new ATOM 1209 N TRP A 84 -1.835 9.575 -8.671 1.00 25.00 N ATOM 1210 CA TRP A 84 -1.041 8.554 -7.927 1.00 25.00 C ATOM 1211 C TRP A 84 -1.903 7.346 -8.076 1.00 25.00 C ATOM 1212 O TRP A 84 -3.186 7.548 -8.030 1.00 25.00 O ATOM 1213 CB TRP A 84 -1.101 8.861 -6.430 1.00 25.00 C ATOM 1214 CG TRP A 84 -1.154 10.309 -6.070 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -0.295 11.280 -6.563 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -2.071 11.013 -5.232 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -0.589 12.514 -6.061 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -1.673 12.381 -5.249 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -3.276 10.687 -4.550 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 -2.380 13.365 -4.577 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 -4.012 11.751 -3.972 1.00 25.00 C ATOM 1222 CH2 TRP A 84 -3.516 13.063 -3.947 1.00 25.00 C ATOM 0 H TRP A 84 -2.711 9.831 -8.216 1.00 25.00 H new ATOM 0 HA TRP A 84 -0.008 8.487 -8.269 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -1.979 8.369 -6.011 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -0.228 8.418 -5.951 1.00 25.00 H new ATOM 0 HD1 TRP A 84 0.508 11.083 -7.258 1.00 25.00 H new ATOM 0 HE1 TRP A 84 -0.087 13.380 -6.259 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -3.618 9.665 -4.475 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 -2.010 14.380 -4.563 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 -4.980 11.547 -3.539 1.00 25.00 H new ATOM 0 HH2 TRP A 84 -4.057 13.832 -3.415 1.00 25.00 H new ATOM 1233 N THR A 85 -1.324 6.216 -8.361 1.00 25.00 N ATOM 1234 CA THR A 85 -2.124 5.048 -8.785 1.00 25.00 C ATOM 1235 C THR A 85 -1.424 3.775 -8.320 1.00 25.00 C ATOM 1236 O THR A 85 -0.287 3.736 -8.004 1.00 25.00 O ATOM 1237 CB THR A 85 -2.414 5.088 -10.277 1.00 25.00 C ATOM 1238 OG1 THR A 85 -3.265 4.038 -10.705 1.00 25.00 O ATOM 1239 CG2 THR A 85 -1.129 4.943 -11.209 1.00 25.00 C ATOM 0 H THR A 85 -0.318 6.055 -8.316 1.00 25.00 H new ATOM 0 HA THR A 85 -3.106 5.070 -8.312 1.00 25.00 H new ATOM 0 HB THR A 85 -2.869 6.072 -10.386 1.00 25.00 H new ATOM 0 HG1 THR A 85 -3.418 4.114 -11.670 1.00 25.00 H new ATOM 0 HG21 THR A 85 -1.432 4.983 -12.255 1.00 25.00 H new ATOM 0 HG22 THR A 85 -0.435 5.757 -11.001 1.00 25.00 H new ATOM 0 HG23 THR A 85 -0.640 3.990 -11.009 1.00 25.00 H new ATOM 1247 N TYR A 86 -2.207 2.692 -8.262 1.00 25.00 N ATOM 1248 CA TYR A 86 -1.661 1.337 -7.962 1.00 25.00 C ATOM 1249 C TYR A 86 -2.273 0.338 -8.898 1.00 25.00 C ATOM 1250 O TYR A 86 -3.174 0.684 -9.640 1.00 25.00 O ATOM 1251 CB TYR A 86 -1.989 0.958 -6.537 1.00 25.00 C ATOM 1252 CG TYR A 86 -1.165 -0.222 -5.981 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -1.770 -1.268 -5.240 1.00 50.00 C ATOM 1254 CD2 TYR A 86 0.207 -0.300 -6.130 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -1.041 -2.408 -4.722 1.00 25.00 C ATOM 1256 CE2 TYR A 86 0.937 -1.429 -5.750 1.00 25.00 C ATOM 1257 CZ TYR A 86 0.341 -2.454 -4.967 1.00 25.00 C ATOM 1258 OH TYR A 86 1.136 -3.494 -4.696 1.00 25.00 O ATOM 0 H TYR A 86 -3.215 2.713 -8.416 1.00 25.00 H new ATOM 0 HA TYR A 86 -0.579 1.346 -8.091 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -1.832 1.827 -5.898 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -3.048 0.705 -6.476 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -2.832 -1.212 -5.051 1.00 50.00 H new ATOM 0 HD2 TYR A 86 0.733 0.542 -6.555 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -1.540 -3.191 -4.170 1.00 25.00 H new ATOM 0 HE2 TYR A 86 1.968 -1.524 -6.056 1.00 25.00 H new ATOM 0 HH TYR A 86 2.055 -3.280 -4.960 1.00 25.00 H new ATOM 1268 N THR A 87 -1.758 -0.905 -8.914 1.00 25.00 N ATOM 1269 CA THR A 87 -2.398 -1.933 -9.714 1.00 25.00 C ATOM 1270 C THR A 87 -3.786 -2.244 -9.206 1.00 25.00 C ATOM 1271 O THR A 87 -4.559 -2.823 -9.964 1.00 25.00 O ATOM 1272 CB THR A 87 -1.453 -3.209 -9.775 1.00 25.00 C ATOM 1273 OG1 THR A 87 -2.142 -4.232 -10.471 1.00 25.00 O ATOM 1274 CG2 THR A 87 -1.080 -3.668 -8.339 1.00 25.00 C ATOM 0 H THR A 87 -0.930 -1.203 -8.398 1.00 25.00 H new ATOM 0 HA THR A 87 -2.538 -1.572 -10.733 1.00 25.00 H new ATOM 0 HB THR A 87 -0.525 -2.972 -10.295 1.00 25.00 H new ATOM 0 HG1 THR A 87 -3.097 -4.016 -10.508 1.00 25.00 H new ATOM 0 HG21 THR A 87 -0.432 -4.543 -8.393 1.00 25.00 H new ATOM 0 HG22 THR A 87 -0.558 -2.862 -7.823 1.00 25.00 H new ATOM 0 HG23 THR A 87 -1.987 -3.922 -7.791 1.00 25.00 H new ATOM 1282 N ALA A 88 -4.014 -2.000 -7.946 1.00 25.00 N ATOM 1283 CA ALA A 88 -5.258 -2.409 -7.241 1.00 25.00 C ATOM 1284 C ALA A 88 -5.774 -1.279 -6.320 1.00 25.00 C ATOM 1285 O ALA A 88 -4.965 -0.490 -5.803 1.00 25.00 O ATOM 1286 CB ALA A 88 -5.046 -3.679 -6.511 1.00 25.00 C ATOM 0 H ALA A 88 -3.351 -1.507 -7.348 1.00 25.00 H new ATOM 0 HA ALA A 88 -6.037 -2.587 -7.982 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -5.966 -3.963 -6.001 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -4.765 -4.461 -7.216 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -4.250 -3.549 -5.778 1.00 25.00 H new ATOM 1292 N PRO A 89 -7.071 -1.243 -6.062 1.00 25.00 N ATOM 1293 CA PRO A 89 -7.548 -0.195 -5.154 1.00 25.00 C ATOM 1294 C PRO A 89 -7.127 -0.436 -3.715 1.00 25.00 C ATOM 1295 O PRO A 89 -6.694 -1.538 -3.332 1.00 25.00 O ATOM 1296 CB PRO A 89 -9.104 -0.372 -5.254 1.00 25.00 C ATOM 1297 CG PRO A 89 -9.275 -1.808 -5.656 1.00 25.00 C ATOM 1298 CD PRO A 89 -8.134 -2.042 -6.643 1.00 25.00 C ATOM 0 HA PRO A 89 -7.160 0.789 -5.418 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -9.593 -0.162 -4.303 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -9.537 0.304 -5.991 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -9.206 -2.476 -4.797 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -10.247 -1.982 -6.118 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -7.863 -3.095 -6.712 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -8.390 -1.712 -7.650 1.00 25.00 H new ATOM 1306 N HIS A 90 -7.351 0.607 -2.907 1.00 25.00 N ATOM 1307 CA HIS A 90 -6.991 0.596 -1.495 1.00 25.00 C ATOM 1308 C HIS A 90 -8.274 0.984 -0.792 1.00 25.00 C ATOM 1309 O HIS A 90 -9.161 1.605 -1.419 1.00 25.00 O ATOM 1310 CB HIS A 90 -6.035 1.732 -1.226 1.00 0.00 C ATOM 1311 CG HIS A 90 -4.590 1.469 -1.548 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -4.116 0.888 -2.697 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -3.519 1.718 -0.826 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -2.767 0.869 -2.614 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -2.364 1.447 -1.511 1.00 0.00 N ATOM 0 H HIS A 90 -7.785 1.476 -3.217 1.00 25.00 H new ATOM 0 HA HIS A 90 -6.559 -0.357 -1.189 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -6.362 2.599 -1.799 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -6.109 2.000 -0.172 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -4.678 0.535 -3.471 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.547 2.092 0.187 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.112 0.436 -3.356 1.00 0.00 H new ATOM 1323 N ASN A 91 -8.394 0.713 0.494 1.00 25.00 N ATOM 1324 CA ASN A 91 -9.552 1.140 1.335 1.00 25.00 C ATOM 1325 C ASN A 91 -9.353 2.615 1.789 1.00 25.00 C ATOM 1326 O ASN A 91 -9.316 2.883 3.005 1.00 25.00 O ATOM 1327 CB ASN A 91 -9.480 0.206 2.562 1.00 25.00 C ATOM 1328 CG ASN A 91 -9.869 -1.192 2.240 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -10.720 -1.467 1.429 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -9.169 -2.097 2.889 1.00 25.00 N ATOM 0 H ASN A 91 -7.693 0.184 1.013 1.00 25.00 H new ATOM 0 HA ASN A 91 -10.505 1.083 0.810 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -8.466 0.214 2.961 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -10.134 0.590 3.345 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -9.334 -3.089 2.717 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -8.462 -1.807 3.564 1.00 25.00 H new ATOM 1337 N THR A 92 -9.218 3.459 0.786 1.00 25.00 N ATOM 1338 CA THR A 92 -8.980 4.891 1.063 1.00 25.00 C ATOM 1339 C THR A 92 -10.232 5.484 1.719 1.00 25.00 C ATOM 1340 O THR A 92 -11.324 5.063 1.393 1.00 25.00 O ATOM 1341 CB THR A 92 -8.786 5.606 -0.285 1.00 25.00 C ATOM 1342 OG1 THR A 92 -7.947 4.761 -1.091 1.00 25.00 O ATOM 1343 CG2 THR A 92 -7.989 6.900 -0.196 1.00 25.00 C ATOM 0 H THR A 92 -9.264 3.207 -0.201 1.00 25.00 H new ATOM 0 HA THR A 92 -8.112 5.011 1.711 1.00 25.00 H new ATOM 0 HB THR A 92 -9.786 5.812 -0.667 1.00 25.00 H new ATOM 0 HG1 THR A 92 -7.159 5.265 -1.382 1.00 25.00 H new ATOM 0 HG21 THR A 92 -7.898 7.340 -1.189 1.00 25.00 H new ATOM 0 HG22 THR A 92 -8.502 7.598 0.465 1.00 25.00 H new ATOM 0 HG23 THR A 92 -6.995 6.689 0.200 1.00 25.00 H new ATOM 1351 N SER A 93 -9.982 6.421 2.650 1.00 25.00 N ATOM 1352 CA SER A 93 -10.998 7.056 3.490 1.00 25.00 C ATOM 1353 C SER A 93 -11.044 8.562 3.202 1.00 25.00 C ATOM 1354 O SER A 93 -12.076 9.142 3.253 1.00 25.00 O ATOM 1355 CB SER A 93 -10.667 6.795 4.956 1.00 25.00 C ATOM 1356 OG SER A 93 -9.318 7.122 5.074 1.00 25.00 O ATOM 0 H SER A 93 -9.040 6.763 2.840 1.00 25.00 H new ATOM 0 HA SER A 93 -11.979 6.637 3.268 1.00 25.00 H new ATOM 0 HB2 SER A 93 -11.282 7.406 5.616 1.00 25.00 H new ATOM 0 HB3 SER A 93 -10.848 5.754 5.224 1.00 25.00 H new ATOM 0 HG SER A 93 -9.174 7.620 5.906 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.925 9.164 2.856 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.757 10.612 2.747 1.00 25.00 C ATOM 1364 C GLN A 94 -8.488 10.914 2.004 1.00 25.00 C ATOM 1365 O GLN A 94 -7.582 10.094 2.011 1.00 25.00 O ATOM 1366 CB GLN A 94 -9.590 11.212 4.111 1.00 25.00 C ATOM 1367 CG GLN A 94 -9.778 12.675 4.191 1.00 25.00 C ATOM 1368 CD GLN A 94 -9.590 13.171 5.612 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -8.809 12.680 6.391 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -10.327 14.191 5.988 1.00 25.00 N ATOM 0 H GLN A 94 -9.074 8.648 2.634 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.632 11.017 2.238 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -10.299 10.735 4.788 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -8.591 10.971 4.475 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -9.067 13.173 3.531 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -10.776 12.937 3.840 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -10.989 14.610 5.335 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -10.238 14.564 6.933 1.00 25.00 H new ATOM 1379 N TRP A 95 -8.389 12.075 1.358 1.00 25.00 N ATOM 1380 CA TRP A 95 -7.163 12.809 1.248 1.00 25.00 C ATOM 1381 C TRP A 95 -7.326 14.343 1.351 1.00 25.00 C ATOM 1382 O TRP A 95 -8.442 14.853 1.235 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.449 12.402 -0.016 1.00 25.00 C ATOM 1384 CG TRP A 95 -7.256 12.509 -1.263 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -7.358 13.598 -2.042 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -8.026 11.506 -1.883 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -8.039 13.302 -3.180 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -8.527 12.053 -3.088 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -8.484 10.215 -1.520 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -9.282 11.298 -3.978 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -9.293 9.441 -2.429 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -9.639 9.988 -3.684 1.00 25.00 C ATOM 0 H TRP A 95 -9.179 12.525 0.895 1.00 25.00 H new ATOM 0 HA TRP A 95 -6.556 12.547 2.114 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.557 13.019 -0.125 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -6.112 11.371 0.092 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -6.956 14.570 -1.799 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -8.160 13.927 -3.977 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -8.225 9.807 -0.554 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -9.596 11.737 -4.913 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -9.631 8.453 -2.153 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -10.176 9.394 -4.408 1.00 25.00 H new ATOM 1403 N HIS A 96 -6.228 15.046 1.572 1.00 25.00 N ATOM 1404 CA HIS A 96 -6.134 16.506 1.698 1.00 25.00 C ATOM 1405 C HIS A 96 -5.004 16.969 0.827 1.00 25.00 C ATOM 1406 O HIS A 96 -4.031 16.232 0.652 1.00 25.00 O ATOM 1407 CB HIS A 96 -5.603 16.853 3.075 1.00 25.00 C ATOM 1408 CG HIS A 96 -6.240 16.193 4.258 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -7.249 16.716 5.049 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -5.930 15.046 4.871 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -7.422 15.970 6.120 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -6.632 14.943 6.024 1.00 25.00 N ATOM 0 H HIS A 96 -5.320 14.594 1.676 1.00 25.00 H new ATOM 0 HA HIS A 96 -7.110 16.935 1.471 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -4.539 16.616 3.093 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -5.692 17.931 3.206 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -5.227 14.314 4.503 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -8.101 16.175 6.935 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -6.554 14.186 6.703 1.00 25.00 H new ATOM 1420 N TYR A 97 -5.122 18.144 0.212 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.982 18.728 -0.467 1.00 25.00 C ATOM 1422 C TYR A 97 -3.908 20.251 -0.229 1.00 25.00 C ATOM 1423 O TYR A 97 -4.873 20.915 0.015 1.00 25.00 O ATOM 1424 CB TYR A 97 -4.110 18.421 -1.970 1.00 25.00 C ATOM 1425 CG TYR A 97 -5.320 18.978 -2.742 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -5.212 19.947 -3.758 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -6.586 18.369 -2.512 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -6.373 20.400 -4.356 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -7.759 18.818 -3.082 1.00 25.00 C ATOM 1430 CZ TYR A 97 -7.599 19.807 -4.001 1.00 25.00 C ATOM 1431 OH TYR A 97 -8.731 20.368 -4.548 1.00 25.00 O ATOM 0 H TYR A 97 -5.979 18.696 0.173 1.00 25.00 H new ATOM 0 HA TYR A 97 -3.062 18.297 -0.071 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -3.209 18.789 -2.460 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -4.115 17.337 -2.086 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -4.248 20.326 -4.062 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -6.630 17.511 -1.857 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -6.340 21.197 -5.084 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -8.727 18.416 -2.819 1.00 25.00 H new ATOM 0 HH TYR A 97 -9.521 19.879 -4.237 1.00 25.00 H new ATOM 1441 N TYR A 98 -2.626 20.646 -0.226 1.00 25.00 N ATOM 1442 CA TYR A 98 -2.132 21.944 0.281 1.00 25.00 C ATOM 1443 C TYR A 98 -1.227 22.610 -0.726 1.00 25.00 C ATOM 1444 O TYR A 98 -0.821 21.941 -1.696 1.00 25.00 O ATOM 1445 CB TYR A 98 -1.191 21.721 1.533 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.821 20.847 2.562 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.726 19.423 2.452 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -2.554 21.372 3.642 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -2.341 18.617 3.456 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -3.183 20.534 4.626 1.00 25.00 C ATOM 1451 CZ TYR A 98 -3.051 19.124 4.502 1.00 25.00 C ATOM 1452 OH TYR A 98 -3.664 18.361 5.492 1.00 25.00 O ATOM 0 H TYR A 98 -1.877 20.055 -0.587 1.00 25.00 H new ATOM 0 HA TYR A 98 -3.018 22.538 0.506 1.00 25.00 H new ATOM 0 HB2 TYR A 98 -0.252 21.274 1.205 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -0.947 22.686 1.978 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -1.200 18.968 1.626 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -2.648 22.444 3.735 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -2.238 17.544 3.382 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -3.744 20.966 5.442 1.00 25.00 H new ATOM 0 HH TYR A 98 -4.111 18.954 6.132 1.00 25.00 H new ATOM 1462 N ILE A 99 -0.944 23.933 -0.657 1.00 25.00 N ATOM 1463 CA ILE A 99 -0.007 24.588 -1.577 1.00 25.00 C ATOM 1464 C ILE A 99 0.963 25.299 -0.606 1.00 25.00 C ATOM 1465 O ILE A 99 0.587 25.618 0.531 1.00 25.00 O ATOM 1466 CB ILE A 99 -0.746 25.596 -2.519 1.00 25.00 C ATOM 1467 CG1 ILE A 99 -1.619 26.584 -1.719 1.00 25.00 C ATOM 1468 CG2 ILE A 99 -1.396 24.794 -3.646 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -1.928 27.894 -2.443 1.00 25.00 C ATOM 0 H ILE A 99 -1.357 24.562 0.032 1.00 25.00 H new ATOM 0 HA ILE A 99 0.497 23.902 -2.258 1.00 25.00 H new ATOM 0 HB ILE A 99 -0.067 26.286 -3.020 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -2.559 26.094 -1.466 1.00 25.00 H new ATOM 0 HG13 ILE A 99 -1.116 26.814 -0.780 1.00 25.00 H new ATOM 0 HG21 ILE A 99 -1.920 25.472 -4.320 1.00 25.00 H new ATOM 0 HG22 ILE A 99 -0.627 24.255 -4.199 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -2.106 24.082 -3.224 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -2.546 28.525 -1.805 1.00 25.00 H new ATOM 0 HD12 ILE A 99 -0.996 28.411 -2.672 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -2.462 27.681 -3.369 1.00 25.00 H new ATOM 1481 N THR A 100 2.149 25.441 -1.073 1.00 25.00 N ATOM 1482 CA THR A 100 3.026 26.474 -0.537 1.00 25.00 C ATOM 1483 C THR A 100 2.708 27.821 -1.195 1.00 25.00 C ATOM 1484 O THR A 100 3.003 27.979 -2.398 1.00 25.00 O ATOM 1485 CB THR A 100 4.552 26.216 -0.783 1.00 25.00 C ATOM 1486 OG1 THR A 100 4.924 24.953 -0.236 1.00 25.00 O ATOM 1487 CG2 THR A 100 5.513 27.266 -0.119 1.00 25.00 C ATOM 0 H THR A 100 2.553 24.873 -1.818 1.00 25.00 H new ATOM 0 HA THR A 100 2.841 26.468 0.537 1.00 25.00 H new ATOM 0 HB THR A 100 4.665 26.275 -1.865 1.00 25.00 H new ATOM 0 HG1 THR A 100 5.397 25.090 0.611 1.00 25.00 H new ATOM 0 HG21 THR A 100 6.547 27.006 -0.344 1.00 25.00 H new ATOM 0 HG22 THR A 100 5.295 28.259 -0.513 1.00 25.00 H new ATOM 0 HG23 THR A 100 5.364 27.263 0.961 1.00 25.00 H new ATOM 1495 N LYS A 101 2.200 28.816 -0.472 1.00 25.00 N ATOM 1496 CA LYS A 101 2.230 30.163 -0.991 1.00 25.00 C ATOM 1497 C LYS A 101 3.555 30.776 -0.709 1.00 25.00 C ATOM 1498 O LYS A 101 3.819 31.208 0.373 1.00 25.00 O ATOM 1499 CB LYS A 101 1.036 31.057 -0.514 1.00 25.00 C ATOM 1500 CG LYS A 101 0.553 30.834 0.911 1.00 25.00 C ATOM 1501 CD LYS A 101 -0.514 31.763 1.440 1.00 25.00 C ATOM 1502 CE LYS A 101 -1.925 31.570 0.818 1.00 25.00 C ATOM 1503 NZ LYS A 101 -2.994 32.321 1.589 1.00 25.00 N1+ ATOM 0 H LYS A 101 1.775 28.712 0.450 1.00 25.00 H new ATOM 0 HA LYS A 101 2.094 30.100 -2.071 1.00 25.00 H new ATOM 0 HB2 LYS A 101 1.329 32.102 -0.616 1.00 25.00 H new ATOM 0 HB3 LYS A 101 0.196 30.894 -1.189 1.00 25.00 H new ATOM 0 HG2 LYS A 101 0.176 29.814 0.982 1.00 25.00 H new ATOM 0 HG3 LYS A 101 1.416 30.902 1.573 1.00 25.00 H new ATOM 0 HD2 LYS A 101 -0.588 31.628 2.519 1.00 25.00 H new ATOM 0 HD3 LYS A 101 -0.196 32.791 1.268 1.00 25.00 H new ATOM 0 HE2 LYS A 101 -1.915 31.914 -0.216 1.00 25.00 H new ATOM 0 HE3 LYS A 101 -2.170 30.508 0.799 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -3.884 32.307 1.052 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -3.140 31.866 2.513 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -2.692 33.306 1.732 1.00 25.00 H new ATOM 1517 N LYS A 102 4.477 30.694 -1.668 1.00 25.00 N ATOM 1518 CA LYS A 102 5.831 31.273 -1.582 1.00 25.00 C ATOM 1519 C LYS A 102 5.793 32.792 -1.433 1.00 25.00 C ATOM 1520 O LYS A 102 4.838 33.477 -1.848 1.00 25.00 O ATOM 1521 CB LYS A 102 6.588 30.817 -2.820 1.00 25.00 C ATOM 1522 CG LYS A 102 6.323 31.561 -4.072 1.00 25.00 C ATOM 1523 CD LYS A 102 7.057 30.919 -5.182 1.00 25.00 C ATOM 1524 CE LYS A 102 6.881 31.617 -6.499 1.00 25.00 C ATOM 1525 NZ LYS A 102 5.584 31.238 -7.309 1.00 25.00 N1+ ATOM 0 H LYS A 102 4.306 30.213 -2.551 1.00 25.00 H new ATOM 0 HA LYS A 102 6.345 30.923 -0.687 1.00 25.00 H new ATOM 0 HB2 LYS A 102 7.655 30.877 -2.608 1.00 25.00 H new ATOM 0 HB3 LYS A 102 6.356 29.766 -2.993 1.00 25.00 H new ATOM 0 HG2 LYS A 102 5.254 31.571 -4.284 1.00 25.00 H new ATOM 0 HG3 LYS A 102 6.636 32.600 -3.965 1.00 25.00 H new ATOM 0 HD2 LYS A 102 8.118 30.888 -4.935 1.00 25.00 H new ATOM 0 HD3 LYS A 102 6.722 29.886 -5.279 1.00 25.00 H new ATOM 0 HE2 LYS A 102 6.874 32.692 -6.321 1.00 25.00 H new ATOM 0 HE3 LYS A 102 7.750 31.403 -7.121 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 5.578 31.750 -8.214 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 5.575 30.214 -7.490 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 4.742 31.500 -6.758 1.00 25.00 H new ATOM 1539 N GLY A 103 6.912 33.333 -0.965 1.00 25.00 N ATOM 1540 CA GLY A 103 7.064 34.784 -0.998 1.00 25.00 C ATOM 1541 C GLY A 103 6.828 35.510 0.290 1.00 25.00 C ATOM 1542 O GLY A 103 6.743 36.734 0.300 1.00 25.00 O ATOM 0 H GLY A 103 7.698 32.815 -0.573 1.00 25.00 H new ATOM 0 HA2 GLY A 103 8.074 35.014 -1.339 1.00 25.00 H new ATOM 0 HA3 GLY A 103 6.377 35.182 -1.745 1.00 25.00 H new ATOM 1546 N TRP A 104 6.821 34.768 1.360 1.00 25.00 N ATOM 1547 CA TRP A 104 6.425 35.337 2.612 1.00 25.00 C ATOM 1548 C TRP A 104 7.492 36.379 3.136 1.00 25.00 C ATOM 1549 O TRP A 104 8.662 36.312 2.818 1.00 25.00 O ATOM 1550 CB TRP A 104 6.151 34.259 3.649 1.00 25.00 C ATOM 1551 CG TRP A 104 7.258 33.174 3.642 1.00 25.00 C ATOM 1552 CD1 TRP A 104 8.607 33.359 3.789 1.00 25.00 C ATOM 1553 CD2 TRP A 104 7.104 31.819 3.193 1.00 25.00 C ATOM 1554 NE1 TRP A 104 9.311 32.203 3.615 1.00 25.00 N ATOM 1555 CE2 TRP A 104 8.393 31.220 3.258 1.00 25.00 C ATOM 1556 CE3 TRP A 104 6.015 31.037 2.754 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 8.599 29.831 3.034 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 6.179 29.656 2.449 1.00 25.00 C ATOM 1559 CH2 TRP A 104 7.480 29.087 2.620 1.00 25.00 C ATOM 0 H TRP A 104 7.081 33.782 1.390 1.00 25.00 H new ATOM 0 HA TRP A 104 5.493 35.877 2.445 1.00 25.00 H new ATOM 0 HB2 TRP A 104 6.089 34.711 4.639 1.00 25.00 H new ATOM 0 HB3 TRP A 104 5.185 33.796 3.449 1.00 25.00 H new ATOM 0 HD1 TRP A 104 9.062 34.312 4.017 1.00 25.00 H new ATOM 0 HE1 TRP A 104 10.318 32.082 3.726 1.00 25.00 H new ATOM 0 HE3 TRP A 104 5.042 31.493 2.648 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 9.566 29.371 3.175 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 5.349 29.059 2.100 1.00 25.00 H new ATOM 0 HH2 TRP A 104 7.609 28.033 2.421 1.00 25.00 H new ATOM 1570 N ASP A 105 7.032 37.223 4.022 1.00 25.00 N ATOM 1571 CA ASP A 105 7.911 37.781 5.088 1.00 25.00 C ATOM 1572 C ASP A 105 8.135 36.536 6.027 1.00 25.00 C ATOM 1573 O ASP A 105 7.181 35.976 6.550 1.00 25.00 O ATOM 1574 CB ASP A 105 7.298 38.857 5.909 1.00 25.00 C ATOM 1575 CG ASP A 105 8.241 39.388 6.984 1.00 25.00 C ATOM 1576 OD1 ASP A 105 8.277 40.623 7.172 1.00 25.00 O ATOM 1577 OD2 ASP A 105 8.887 38.595 7.694 1.00 25.00 O1- ATOM 0 H ASP A 105 6.068 37.554 4.051 1.00 25.00 H new ATOM 0 HA ASP A 105 8.796 38.234 4.642 1.00 25.00 H new ATOM 0 HB2 ASP A 105 6.997 39.678 5.258 1.00 25.00 H new ATOM 0 HB3 ASP A 105 6.393 38.476 6.382 1.00 25.00 H new ATOM 1582 N PRO A 106 9.366 36.019 6.209 1.00 25.00 N ATOM 1583 CA PRO A 106 9.665 34.788 6.936 1.00 25.00 C ATOM 1584 C PRO A 106 9.449 34.792 8.469 1.00 25.00 C ATOM 1585 O PRO A 106 9.334 33.756 9.122 1.00 25.00 O ATOM 1586 CB PRO A 106 11.130 34.562 6.707 1.00 25.00 C ATOM 1587 CG PRO A 106 11.793 35.904 6.497 1.00 25.00 C ATOM 1588 CD PRO A 106 10.626 36.522 5.666 1.00 25.00 C ATOM 0 HA PRO A 106 8.975 34.030 6.565 1.00 25.00 H new ATOM 0 HB2 PRO A 106 11.573 34.050 7.561 1.00 25.00 H new ATOM 0 HB3 PRO A 106 11.284 33.923 5.838 1.00 25.00 H new ATOM 0 HG2 PRO A 106 11.998 36.438 7.425 1.00 25.00 H new ATOM 0 HG3 PRO A 106 12.734 35.844 5.949 1.00 25.00 H new ATOM 0 HD2 PRO A 106 10.656 37.610 5.719 1.00 25.00 H new ATOM 0 HD3 PRO A 106 10.722 36.251 4.615 1.00 25.00 H new ATOM 1596 N ASP A 107 9.454 35.997 9.090 1.00 25.00 N ATOM 1597 CA ASP A 107 9.355 36.080 10.574 1.00 25.00 C ATOM 1598 C ASP A 107 7.931 35.797 11.014 1.00 25.00 C ATOM 1599 O ASP A 107 7.681 35.520 12.201 1.00 25.00 O ATOM 1600 CB ASP A 107 9.741 37.519 11.073 1.00 25.00 C ATOM 1601 CG ASP A 107 9.868 37.635 12.536 1.00 25.00 C ATOM 1602 OD1 ASP A 107 9.404 38.609 13.224 1.00 75.00 O ATOM 1603 OD2 ASP A 107 10.475 36.689 13.086 1.00 75.00 O1- ATOM 0 H ASP A 107 9.523 36.895 8.611 1.00 25.00 H new ATOM 0 HA ASP A 107 10.039 35.345 10.998 1.00 25.00 H new ATOM 0 HB2 ASP A 107 10.685 37.810 10.613 1.00 25.00 H new ATOM 0 HB3 ASP A 107 8.987 38.226 10.727 1.00 25.00 H new ATOM 1608 N LYS A 108 7.099 35.849 9.957 1.00 25.00 N ATOM 1609 CA LYS A 108 5.638 35.796 10.044 1.00 25.00 C ATOM 1610 C LYS A 108 5.389 34.470 9.258 1.00 25.00 C ATOM 1611 O LYS A 108 6.303 33.983 8.651 1.00 25.00 O ATOM 1612 CB LYS A 108 5.171 37.055 9.316 1.00 25.00 C ATOM 1613 CG LYS A 108 5.364 38.356 10.123 1.00 25.00 C ATOM 1614 CD LYS A 108 4.876 39.534 9.361 1.00 25.00 C ATOM 1615 CE LYS A 108 5.051 40.820 10.064 1.00 25.00 C ATOM 1616 NZ LYS A 108 4.534 41.897 9.260 1.00 25.00 N1+ ATOM 0 H LYS A 108 7.438 35.931 8.998 1.00 25.00 H new ATOM 0 HA LYS A 108 5.141 35.786 11.014 1.00 25.00 H new ATOM 0 HB2 LYS A 108 5.714 37.140 8.374 1.00 25.00 H new ATOM 0 HB3 LYS A 108 4.115 36.948 9.067 1.00 25.00 H new ATOM 0 HG2 LYS A 108 4.828 38.284 11.069 1.00 25.00 H new ATOM 0 HG3 LYS A 108 6.419 38.486 10.363 1.00 25.00 H new ATOM 0 HD2 LYS A 108 5.401 39.579 8.407 1.00 25.00 H new ATOM 0 HD3 LYS A 108 3.818 39.396 9.137 1.00 25.00 H new ATOM 0 HE2 LYS A 108 4.535 40.792 11.024 1.00 25.00 H new ATOM 0 HE3 LYS A 108 6.107 40.988 10.275 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 4.662 42.798 9.763 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 5.045 41.931 8.355 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 3.522 41.741 9.081 1.00 25.00 H new ATOM 1630 N PRO A 109 4.177 33.808 9.303 1.00 25.00 N ATOM 1631 CA PRO A 109 3.641 32.548 8.738 1.00 25.00 C ATOM 1632 C PRO A 109 4.377 31.505 7.923 1.00 25.00 C ATOM 1633 O PRO A 109 3.739 30.638 7.336 1.00 25.00 O ATOM 1634 CB PRO A 109 2.456 33.100 7.988 1.00 25.00 C ATOM 1635 CG PRO A 109 2.008 34.254 8.837 1.00 25.00 C ATOM 1636 CD PRO A 109 3.010 34.441 9.944 1.00 25.00 C ATOM 0 HA PRO A 109 3.561 31.865 9.584 1.00 25.00 H new ATOM 0 HB2 PRO A 109 2.732 33.424 6.984 1.00 25.00 H new ATOM 0 HB3 PRO A 109 1.669 32.354 7.877 1.00 25.00 H new ATOM 0 HG2 PRO A 109 1.932 35.160 8.236 1.00 25.00 H new ATOM 0 HG3 PRO A 109 1.018 34.060 9.249 1.00 25.00 H new ATOM 0 HD2 PRO A 109 3.180 35.490 10.187 1.00 25.00 H new ATOM 0 HD3 PRO A 109 2.715 33.944 10.868 1.00 25.00 H new ATOM 1644 N LEU A 110 5.708 31.500 7.878 1.00 25.00 N ATOM 1645 CA LEU A 110 6.504 30.496 7.234 1.00 25.00 C ATOM 1646 C LEU A 110 6.069 29.046 7.566 1.00 25.00 C ATOM 1647 O LEU A 110 5.928 28.281 6.578 1.00 25.00 O ATOM 1648 CB LEU A 110 7.949 30.769 7.639 1.00 25.00 C ATOM 1649 CG LEU A 110 8.974 29.985 6.811 1.00 25.00 C ATOM 1650 CD1 LEU A 110 10.314 30.782 6.887 1.00 50.00 C ATOM 1651 CD2 LEU A 110 9.235 28.563 7.400 1.00 50.00 C ATOM 0 H LEU A 110 6.270 32.232 8.312 1.00 25.00 H new ATOM 0 HA LEU A 110 6.374 30.562 6.154 1.00 25.00 H new ATOM 0 HB2 LEU A 110 8.151 31.835 7.538 1.00 25.00 H new ATOM 0 HB3 LEU A 110 8.076 30.519 8.692 1.00 25.00 H new ATOM 0 HG LEU A 110 8.598 29.868 5.795 1.00 25.00 H new ATOM 0 HD11 LEU A 110 11.080 30.262 6.311 1.00 50.00 H new ATOM 0 HD12 LEU A 110 10.167 31.781 6.477 1.00 50.00 H new ATOM 0 HD13 LEU A 110 10.633 30.860 7.926 1.00 50.00 H new ATOM 0 HD21 LEU A 110 9.967 28.042 6.783 1.00 50.00 H new ATOM 0 HD22 LEU A 110 9.617 28.655 8.417 1.00 50.00 H new ATOM 0 HD23 LEU A 110 8.303 27.998 7.412 1.00 50.00 H new ATOM 1663 N LYS A 111 5.776 28.740 8.806 1.00 25.00 N ATOM 1664 CA LYS A 111 5.406 27.371 9.180 1.00 25.00 C ATOM 1665 C LYS A 111 3.976 26.992 8.756 1.00 25.00 C ATOM 1666 O LYS A 111 3.570 25.925 9.007 1.00 25.00 O ATOM 1667 CB LYS A 111 5.558 27.230 10.683 1.00 25.00 C ATOM 1668 CG LYS A 111 6.921 27.461 11.299 1.00 25.00 C ATOM 1669 CD LYS A 111 6.812 27.343 12.800 1.00 25.00 C ATOM 1670 CE LYS A 111 6.249 28.612 13.482 1.00 25.00 C ATOM 1671 NZ LYS A 111 6.152 28.472 14.997 1.00 25.00 N1+ ATOM 0 H LYS A 111 5.782 29.406 9.579 1.00 25.00 H new ATOM 0 HA LYS A 111 6.070 26.687 8.651 1.00 25.00 H new ATOM 0 HB2 LYS A 111 4.861 27.924 11.153 1.00 25.00 H new ATOM 0 HB3 LYS A 111 5.238 26.224 10.955 1.00 25.00 H new ATOM 0 HG2 LYS A 111 7.635 26.732 10.916 1.00 25.00 H new ATOM 0 HG3 LYS A 111 7.295 28.448 11.026 1.00 25.00 H new ATOM 0 HD2 LYS A 111 6.172 26.495 13.044 1.00 25.00 H new ATOM 0 HD3 LYS A 111 7.798 27.127 13.212 1.00 25.00 H new ATOM 0 HE2 LYS A 111 6.886 29.463 13.240 1.00 25.00 H new ATOM 0 HE3 LYS A 111 5.260 28.829 13.077 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 5.769 29.350 15.403 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 5.523 27.678 15.233 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 7.098 28.292 15.390 1.00 25.00 H new ATOM 1685 N ARG A 112 3.258 27.930 8.174 1.00 25.00 N ATOM 1686 CA ARG A 112 1.821 27.782 7.888 1.00 25.00 C ATOM 1687 C ARG A 112 1.503 27.947 6.368 1.00 25.00 C ATOM 1688 O ARG A 112 0.880 27.102 5.720 1.00 25.00 O ATOM 1689 CB ARG A 112 1.063 28.887 8.663 1.00 25.00 C ATOM 1690 CG ARG A 112 1.066 28.850 10.202 1.00 25.00 C ATOM 1691 CD ARG A 112 0.446 30.078 10.812 1.00 25.00 C ATOM 1692 NE ARG A 112 -0.959 30.218 10.413 1.00 25.00 N ATOM 1693 CZ ARG A 112 -2.023 30.017 11.199 1.00 25.00 C ATOM 1694 NH1 ARG A 112 -1.945 29.374 12.327 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 -3.165 30.383 10.665 1.00 25.00 N ATOM 0 H ARG A 112 3.645 28.827 7.879 1.00 25.00 H new ATOM 0 HA ARG A 112 1.514 26.781 8.191 1.00 25.00 H new ATOM 0 HB2 ARG A 112 1.476 29.848 8.355 1.00 25.00 H new ATOM 0 HB3 ARG A 112 0.024 28.867 8.335 1.00 25.00 H new ATOM 0 HG2 ARG A 112 0.524 27.967 10.541 1.00 25.00 H new ATOM 0 HG3 ARG A 112 2.092 28.751 10.557 1.00 25.00 H new ATOM 0 HD2 ARG A 112 0.514 30.021 11.898 1.00 25.00 H new ATOM 0 HD3 ARG A 112 1.004 30.962 10.503 1.00 25.00 H new ATOM 0 HE ARG A 112 -1.141 30.494 9.448 1.00 25.00 H new ATOM 0 HH11 ARG A 112 -1.049 29.002 12.641 1.00 25.00 H new ATOM 0 HH12 ARG A 112 -2.780 29.242 12.898 1.00 25.00 H new ATOM 0 HH21 ARG A 112 -3.185 30.782 9.726 1.00 25.00 H new ATOM 0 HH22 ARG A 112 -4.033 30.269 11.189 1.00 25.00 H new ATOM 1709 N ALA A 113 2.011 29.064 5.857 1.00 25.00 N ATOM 1710 CA ALA A 113 2.010 29.365 4.400 1.00 25.00 C ATOM 1711 C ALA A 113 2.527 28.263 3.522 1.00 25.00 C ATOM 1712 O ALA A 113 2.065 28.085 2.407 1.00 25.00 O ATOM 1713 CB ALA A 113 2.898 30.666 4.242 1.00 25.00 C ATOM 0 H ALA A 113 2.438 29.795 6.426 1.00 25.00 H new ATOM 0 HA ALA A 113 0.981 29.495 4.065 1.00 25.00 H new ATOM 0 HB1 ALA A 113 2.944 30.950 3.191 1.00 25.00 H new ATOM 0 HB2 ALA A 113 2.457 31.479 4.818 1.00 25.00 H new ATOM 0 HB3 ALA A 113 3.905 30.466 4.608 1.00 25.00 H new ATOM 1719 N ASP A 114 3.402 27.447 4.143 1.00 25.00 N ATOM 1720 CA ASP A 114 4.036 26.389 3.372 1.00 25.00 C ATOM 1721 C ASP A 114 3.085 25.162 3.217 1.00 25.00 C ATOM 1722 O ASP A 114 3.249 24.272 2.312 1.00 25.00 O ATOM 1723 CB ASP A 114 5.335 26.033 4.048 1.00 25.00 C ATOM 1724 CG ASP A 114 6.120 24.927 3.383 1.00 25.00 C ATOM 1725 OD1 ASP A 114 6.293 24.828 2.177 1.00 25.00 O ATOM 1726 OD2 ASP A 114 6.856 24.309 4.162 1.00 25.00 O1- ATOM 0 H ASP A 114 3.668 27.502 5.126 1.00 25.00 H new ATOM 0 HA ASP A 114 4.248 26.729 2.358 1.00 25.00 H new ATOM 0 HB2 ASP A 114 5.960 26.925 4.093 1.00 25.00 H new ATOM 0 HB3 ASP A 114 5.123 25.740 5.076 1.00 25.00 H new ATOM 1731 N PHE A 115 1.933 25.159 3.911 1.00 25.00 N ATOM 1732 CA PHE A 115 1.023 24.008 3.929 1.00 25.00 C ATOM 1733 C PHE A 115 -0.413 24.579 3.905 1.00 25.00 C ATOM 1734 O PHE A 115 -1.242 24.215 4.752 1.00 25.00 O ATOM 1735 CB PHE A 115 1.193 23.205 5.224 1.00 25.00 C ATOM 1736 CG PHE A 115 2.620 22.843 5.566 1.00 25.00 C ATOM 1737 CD1 PHE A 115 3.385 23.583 6.503 1.00 50.00 C ATOM 1738 CD2 PHE A 115 3.236 21.806 4.846 1.00 50.00 C ATOM 1739 CE1 PHE A 115 4.730 23.218 6.831 1.00 25.00 C ATOM 1740 CE2 PHE A 115 4.609 21.415 5.171 1.00 25.00 C ATOM 1741 CZ PHE A 115 5.321 22.057 6.165 1.00 25.00 C ATOM 0 H PHE A 115 1.612 25.949 4.470 1.00 25.00 H new ATOM 0 HA PHE A 115 1.229 23.354 3.081 1.00 25.00 H new ATOM 0 HB2 PHE A 115 0.772 23.780 6.049 1.00 25.00 H new ATOM 0 HB3 PHE A 115 0.610 22.288 5.145 1.00 25.00 H new ATOM 0 HD1 PHE A 115 2.942 24.444 6.981 1.00 50.00 H new ATOM 0 HD2 PHE A 115 2.700 21.300 4.057 1.00 50.00 H new ATOM 0 HE1 PHE A 115 5.296 23.787 7.554 1.00 25.00 H new ATOM 0 HE2 PHE A 115 5.074 20.609 4.623 1.00 25.00 H new ATOM 0 HZ PHE A 115 6.303 21.706 6.447 1.00 25.00 H new ATOM 1751 N GLU A 116 -0.770 25.527 3.046 1.00 25.00 N ATOM 1752 CA GLU A 116 -2.131 26.075 3.138 1.00 25.00 C ATOM 1753 C GLU A 116 -3.154 25.198 2.355 1.00 25.00 C ATOM 1754 O GLU A 116 -2.982 24.946 1.176 1.00 25.00 O ATOM 1755 CB GLU A 116 -2.180 27.465 2.516 1.00 25.00 C ATOM 1756 CG GLU A 116 -1.569 28.469 3.394 1.00 25.00 C ATOM 1757 CD GLU A 116 -2.573 29.142 4.348 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -3.105 28.482 5.252 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -2.840 30.342 4.141 1.00 25.00 O1- ATOM 0 H GLU A 116 -0.178 25.919 2.314 1.00 25.00 H new ATOM 0 HA GLU A 116 -2.389 26.100 4.197 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -1.661 27.454 1.558 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -3.216 27.738 2.315 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -0.782 27.996 3.982 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -1.093 29.234 2.781 1.00 25.00 H new ATOM 1766 N LEU A 117 -4.197 24.700 3.043 1.00 25.00 N ATOM 1767 CA LEU A 117 -5.164 23.773 2.375 1.00 25.00 C ATOM 1768 C LEU A 117 -5.866 24.363 1.217 1.00 25.00 C ATOM 1769 O LEU A 117 -6.477 25.464 1.347 1.00 25.00 O ATOM 1770 CB LEU A 117 -6.226 23.335 3.407 1.00 25.00 C ATOM 1771 CG LEU A 117 -7.238 22.219 3.080 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -6.551 20.878 3.297 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -8.344 22.424 4.006 1.00 50.00 C ATOM 0 H LEU A 117 -4.399 24.905 4.022 1.00 25.00 H new ATOM 0 HA LEU A 117 -4.576 22.936 1.999 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.691 23.027 4.305 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.803 24.222 3.668 1.00 25.00 H new ATOM 0 HG LEU A 117 -7.600 22.236 2.052 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -7.248 20.071 3.072 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -5.684 20.803 2.640 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -6.228 20.799 4.335 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -9.108 21.665 3.834 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -7.980 22.347 5.030 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.773 23.413 3.847 1.00 50.00 H new ATOM 1785 N ILE A 118 -5.814 23.728 0.081 1.00 25.00 N ATOM 1786 CA ILE A 118 -6.528 24.222 -1.098 1.00 25.00 C ATOM 1787 C ILE A 118 -7.731 23.255 -1.342 1.00 25.00 C ATOM 1788 O ILE A 118 -8.755 23.751 -1.792 1.00 25.00 O ATOM 1789 CB ILE A 118 -5.520 24.446 -2.225 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -6.251 25.016 -3.476 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -4.683 23.134 -2.467 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -5.499 25.446 -4.663 1.00 25.00 C ATOM 0 H ILE A 118 -5.289 22.866 -0.070 1.00 25.00 H new ATOM 0 HA ILE A 118 -6.986 25.205 -0.991 1.00 25.00 H new ATOM 0 HB ILE A 118 -4.783 25.202 -1.954 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -6.959 24.256 -3.805 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -6.836 25.873 -3.141 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -3.967 23.302 -3.272 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -4.148 22.870 -1.555 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -5.354 22.320 -2.742 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -6.193 25.810 -5.421 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -4.810 26.244 -4.388 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -4.936 24.602 -5.062 1.00 25.00 H new ATOM 1804 N GLY A 119 -7.676 21.983 -0.834 1.00 25.00 N ATOM 1805 CA GLY A 119 -8.918 21.230 -0.691 1.00 25.00 C ATOM 1806 C GLY A 119 -8.811 19.901 -0.005 1.00 25.00 C ATOM 1807 O GLY A 119 -7.705 19.493 0.417 1.00 25.00 O ATOM 0 H GLY A 119 -6.828 21.500 -0.539 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -9.629 21.844 -0.139 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -9.338 21.070 -1.684 1.00 25.00 H new ATOM 1811 N ALA A 120 -9.927 19.189 0.128 1.00 25.00 N ATOM 1812 CA ALA A 120 -9.867 17.811 0.618 1.00 25.00 C ATOM 1813 C ALA A 120 -10.991 17.023 -0.087 1.00 25.00 C ATOM 1814 O ALA A 120 -12.086 17.564 -0.491 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.996 17.802 2.173 1.00 25.00 C ATOM 0 H ALA A 120 -10.863 19.530 -0.090 1.00 25.00 H new ATOM 0 HA ALA A 120 -8.913 17.335 0.389 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.951 16.775 2.536 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -9.179 18.377 2.609 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -10.948 18.248 2.462 1.00 25.00 H new ATOM 1821 N VAL A 121 -10.761 15.726 -0.192 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.644 14.802 -0.968 1.00 25.00 C ATOM 1823 C VAL A 121 -11.878 13.559 0.044 1.00 25.00 C ATOM 1824 O VAL A 121 -11.162 12.545 -0.035 1.00 25.00 O ATOM 1825 CB VAL A 121 -11.147 14.336 -2.339 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -12.295 13.606 -3.128 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -10.649 15.524 -3.227 1.00 50.00 C ATOM 0 H VAL A 121 -9.966 15.262 0.248 1.00 25.00 H new ATOM 0 HA VAL A 121 -12.549 15.335 -1.259 1.00 25.00 H new ATOM 0 HB VAL A 121 -10.316 13.659 -2.143 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -11.920 13.283 -4.099 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -12.631 12.737 -2.561 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -13.131 14.291 -3.271 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -10.307 15.141 -4.189 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -11.467 16.227 -3.386 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -9.826 16.033 -2.726 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.872 13.673 0.905 1.00 25.00 N ATOM 1838 CA PRO A 122 -13.190 12.441 1.672 1.00 25.00 C ATOM 1839 C PRO A 122 -13.840 11.381 0.810 1.00 25.00 C ATOM 1840 O PRO A 122 -14.426 11.661 -0.239 1.00 25.00 O ATOM 1841 CB PRO A 122 -14.047 12.943 2.808 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.779 14.225 2.216 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.771 14.762 1.246 1.00 25.00 C ATOM 0 HA PRO A 122 -12.308 11.922 2.047 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.765 12.188 3.128 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.443 13.197 3.679 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.716 13.965 1.724 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.018 14.950 2.994 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -14.264 15.146 0.353 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.219 15.592 1.687 1.00 25.00 H new ATOM 1851 N HIS A 123 -13.702 10.126 1.186 1.00 25.00 N ATOM 1852 CA HIS A 123 -13.858 9.047 0.204 1.00 25.00 C ATOM 1853 C HIS A 123 -14.504 7.770 0.733 1.00 25.00 C ATOM 1854 O HIS A 123 -13.897 6.941 1.397 1.00 25.00 O ATOM 1855 CB HIS A 123 -12.557 8.756 -0.514 1.00 25.00 C ATOM 1856 CG HIS A 123 -12.762 7.784 -1.669 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -12.862 6.453 -1.648 1.00 25.00 N flip ATOM 1858 CD2 HIS A 123 -12.858 8.137 -3.000 1.00 25.00 C flip ATOM 1859 CE1 HIS A 123 -12.983 5.998 -2.888 1.00 25.00 C flip ATOM 1860 NE2 HIS A 123 -12.986 7.013 -3.698 1.00 25.00 N flip ATOM 0 H HIS A 123 -13.488 9.822 2.136 1.00 25.00 H new ATOM 0 HA HIS A 123 -14.578 9.437 -0.515 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -12.132 9.686 -0.891 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -11.837 8.339 0.190 1.00 25.00 H new ATOM 0 HD1 HIS A 123 -12.848 5.875 -0.808 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -12.834 9.140 -3.400 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -13.065 4.960 -3.175 1.00 25.00 H new ATOM 1868 N ASP A 124 -15.813 7.697 0.495 1.00 25.00 N ATOM 1869 CA ASP A 124 -16.645 6.518 0.811 1.00 25.00 C ATOM 1870 C ASP A 124 -17.087 5.715 -0.392 1.00 25.00 C ATOM 1871 O ASP A 124 -17.627 4.602 -0.254 1.00 25.00 O ATOM 1872 CB ASP A 124 -17.962 6.791 1.543 1.00 25.00 C ATOM 1873 CG ASP A 124 -17.791 7.601 2.816 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -18.466 8.644 2.784 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -17.077 7.315 3.762 1.00 50.00 O1- ATOM 0 H ASP A 124 -16.340 8.461 0.072 1.00 25.00 H new ATOM 0 HA ASP A 124 -15.939 5.984 1.448 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -18.638 7.321 0.872 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -18.436 5.841 1.788 1.00 25.00 H new ATOM 1880 N GLY A 125 -16.841 6.178 -1.592 1.00 25.00 N ATOM 1881 CA GLY A 125 -17.137 5.403 -2.804 1.00 25.00 C ATOM 1882 C GLY A 125 -16.678 6.325 -3.880 1.00 25.00 C ATOM 1883 O GLY A 125 -16.021 7.375 -3.545 1.00 25.00 O ATOM 0 H GLY A 125 -16.433 7.095 -1.772 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -16.600 4.454 -2.823 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -18.198 5.171 -2.891 1.00 25.00 H new ATOM 1887 N SER A 126 -16.951 6.032 -5.131 1.00 25.00 N ATOM 1888 CA SER A 126 -16.452 6.824 -6.313 1.00 25.00 C ATOM 1889 C SER A 126 -17.504 7.282 -7.257 1.00 25.00 C ATOM 1890 O SER A 126 -17.561 6.830 -8.415 1.00 25.00 O ATOM 1891 CB SER A 126 -15.324 6.029 -6.982 1.00 25.00 C ATOM 1892 OG SER A 126 -14.369 5.496 -6.058 1.00 25.00 O ATOM 0 H SER A 126 -17.529 5.235 -5.396 1.00 25.00 H new ATOM 0 HA SER A 126 -16.061 7.772 -5.942 1.00 25.00 H new ATOM 0 HB2 SER A 126 -15.759 5.210 -7.554 1.00 25.00 H new ATOM 0 HB3 SER A 126 -14.808 6.675 -7.692 1.00 25.00 H new ATOM 0 HG SER A 126 -14.114 6.190 -5.414 1.00 25.00 H new ATOM 1898 N PRO A 127 -18.294 8.315 -6.903 1.00 25.00 N ATOM 1899 CA PRO A 127 -18.753 9.074 -8.062 1.00 25.00 C ATOM 1900 C PRO A 127 -17.521 9.811 -8.607 1.00 25.00 C ATOM 1901 O PRO A 127 -16.482 9.936 -7.994 1.00 25.00 O ATOM 1902 CB PRO A 127 -19.648 10.073 -7.402 1.00 25.00 C ATOM 1903 CG PRO A 127 -18.962 10.332 -6.103 1.00 25.00 C ATOM 1904 CD PRO A 127 -18.588 8.986 -5.643 1.00 25.00 C ATOM 0 HA PRO A 127 -19.224 8.503 -8.862 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -19.745 10.982 -7.995 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -20.654 9.679 -7.256 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -18.088 10.971 -6.230 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -19.621 10.831 -5.393 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -17.724 9.006 -4.978 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -19.398 8.499 -5.099 1.00 25.00 H new ATOM 1912 N ALA A 128 -17.661 10.420 -9.806 1.00 25.00 N ATOM 1913 CA ALA A 128 -16.539 11.064 -10.471 1.00 25.00 C ATOM 1914 C ALA A 128 -15.907 12.285 -9.707 1.00 25.00 C ATOM 1915 O ALA A 128 -14.707 12.501 -9.847 1.00 25.00 O ATOM 1916 CB ALA A 128 -16.894 11.375 -11.912 1.00 25.00 C ATOM 0 H ALA A 128 -18.541 10.471 -10.319 1.00 25.00 H new ATOM 0 HA ALA A 128 -15.726 10.338 -10.461 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -16.047 11.857 -12.400 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -17.136 10.450 -12.435 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -17.755 12.042 -11.939 1.00 25.00 H new ATOM 1922 N SER A 129 -16.601 12.956 -8.813 1.00 25.00 N ATOM 1923 CA SER A 129 -16.007 14.005 -8.016 1.00 25.00 C ATOM 1924 C SER A 129 -14.966 13.518 -7.003 1.00 25.00 C ATOM 1925 O SER A 129 -14.141 14.279 -6.557 1.00 25.00 O ATOM 1926 CB SER A 129 -17.090 14.748 -7.280 1.00 25.00 C ATOM 1927 OG SER A 129 -17.693 13.870 -6.324 1.00 25.00 O ATOM 0 H SER A 129 -17.589 12.790 -8.619 1.00 25.00 H new ATOM 0 HA SER A 129 -15.478 14.650 -8.718 1.00 25.00 H new ATOM 0 HB2 SER A 129 -16.673 15.621 -6.778 1.00 25.00 H new ATOM 0 HB3 SER A 129 -17.840 15.112 -7.982 1.00 25.00 H new ATOM 0 HG SER A 129 -18.398 14.348 -5.840 1.00 25.00 H new ATOM 1933 N ARG A 130 -15.127 12.243 -6.688 1.00 25.00 N ATOM 1934 CA ARG A 130 -14.309 11.553 -5.713 1.00 25.00 C ATOM 1935 C ARG A 130 -13.426 10.504 -6.355 1.00 25.00 C ATOM 1936 O ARG A 130 -12.874 9.599 -5.719 1.00 25.00 O ATOM 1937 CB ARG A 130 -15.272 10.779 -4.724 1.00 25.00 C ATOM 1938 CG ARG A 130 -15.417 11.447 -3.361 1.00 25.00 C ATOM 1939 CD ARG A 130 -16.237 12.751 -3.460 1.00 25.00 C ATOM 1940 NE ARG A 130 -16.458 13.331 -2.146 1.00 25.00 N ATOM 1941 CZ ARG A 130 -17.108 14.484 -1.901 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -17.642 15.235 -2.781 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -17.210 14.813 -0.655 1.00 25.00 N ATOM 0 H ARG A 130 -15.842 11.652 -7.111 1.00 25.00 H new ATOM 0 HA ARG A 130 -13.687 12.296 -5.215 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -16.257 10.693 -5.183 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -14.896 9.766 -4.584 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -15.903 10.761 -2.667 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -14.430 11.666 -2.954 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -15.713 13.467 -4.093 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -17.196 12.546 -3.936 1.00 25.00 H new ATOM 0 HE ARG A 130 -16.090 12.822 -1.342 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -17.596 14.978 -3.767 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -18.115 16.093 -2.499 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -16.811 14.212 0.066 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -17.690 15.674 -0.392 1.00 25.00 H new ATOM 1957 N ASN A 131 -13.234 10.657 -7.653 1.00 25.00 N ATOM 1958 CA ASN A 131 -12.193 9.881 -8.429 1.00 25.00 C ATOM 1959 C ASN A 131 -10.830 10.106 -7.768 1.00 25.00 C ATOM 1960 O ASN A 131 -10.534 11.162 -7.168 1.00 25.00 O ATOM 1961 CB ASN A 131 -12.152 10.434 -9.847 1.00 25.00 C ATOM 1962 CG ASN A 131 -13.208 9.804 -10.736 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -13.740 8.777 -10.444 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -13.457 10.351 -11.895 1.00 25.00 N ATOM 0 H ASN A 131 -13.772 11.308 -8.225 1.00 25.00 H new ATOM 0 HA ASN A 131 -12.431 8.817 -8.443 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -12.299 11.514 -9.819 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -11.166 10.258 -10.276 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -14.103 9.900 -12.544 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -13.006 11.229 -12.152 1.00 25.00 H new ATOM 1971 N LEU A 132 -10.033 9.034 -7.907 1.00 25.00 N ATOM 1972 CA LEU A 132 -8.714 9.017 -7.234 1.00 25.00 C ATOM 1973 C LEU A 132 -7.783 10.125 -7.813 1.00 25.00 C ATOM 1974 O LEU A 132 -6.994 10.753 -7.118 1.00 25.00 O ATOM 1975 CB LEU A 132 -8.044 7.696 -7.392 1.00 25.00 C ATOM 1976 CG LEU A 132 -6.745 7.380 -6.590 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -6.574 8.048 -5.207 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -6.787 5.857 -6.326 1.00 75.00 C ATOM 0 H LEU A 132 -10.259 8.202 -8.452 1.00 25.00 H new ATOM 0 HA LEU A 132 -8.892 9.204 -6.175 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -8.776 6.929 -7.139 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -7.809 7.576 -8.450 1.00 25.00 H new ATOM 0 HG LEU A 132 -5.923 7.764 -7.194 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -5.626 7.737 -4.767 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -6.582 9.132 -5.323 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -7.393 7.747 -4.554 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -5.901 5.561 -5.764 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -7.680 5.612 -5.752 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -6.809 5.323 -7.276 1.00 75.00 H new ATOM 1990 N SER A 133 -7.859 10.387 -9.118 1.00 25.00 N ATOM 1991 CA SER A 133 -7.017 11.352 -9.825 1.00 25.00 C ATOM 1992 C SER A 133 -7.811 12.643 -9.774 1.00 25.00 C ATOM 1993 O SER A 133 -9.089 12.608 -9.903 1.00 25.00 O ATOM 1994 CB SER A 133 -6.875 10.963 -11.342 1.00 25.00 C ATOM 1995 OG SER A 133 -6.202 11.990 -11.985 1.00 25.00 O ATOM 0 H SER A 133 -8.528 9.920 -9.730 1.00 25.00 H new ATOM 0 HA SER A 133 -6.022 11.407 -9.383 1.00 25.00 H new ATOM 0 HB2 SER A 133 -6.329 10.025 -11.446 1.00 25.00 H new ATOM 0 HB3 SER A 133 -7.857 10.811 -11.790 1.00 25.00 H new ATOM 0 HG SER A 133 -5.317 11.676 -12.265 1.00 25.00 H new ATOM 2001 N HIS A 134 -7.113 13.791 -9.842 1.00 25.00 N ATOM 2002 CA HIS A 134 -7.784 15.135 -10.018 1.00 25.00 C ATOM 2003 C HIS A 134 -6.952 16.102 -10.810 1.00 25.00 C ATOM 2004 O HIS A 134 -5.751 15.919 -10.923 1.00 25.00 O ATOM 2005 CB HIS A 134 -8.114 15.705 -8.648 1.00 25.00 C ATOM 2006 CG HIS A 134 -9.466 15.249 -8.112 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -9.559 14.294 -7.111 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -10.751 15.674 -8.313 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -10.829 14.190 -6.734 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -11.556 14.989 -7.458 1.00 25.00 N ATOM 0 H HIS A 134 -6.096 13.838 -9.781 1.00 25.00 H new ATOM 0 HA HIS A 134 -8.698 14.982 -10.592 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -7.335 15.413 -7.944 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -8.102 16.794 -8.703 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -11.069 16.421 -9.025 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -11.199 13.545 -5.951 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -12.569 15.086 -7.394 1.00 25.00 H new ATOM 2018 N HIS A 135 -7.561 17.191 -11.292 1.00 25.00 N ATOM 2019 CA HIS A 135 -6.912 18.143 -12.175 1.00 25.00 C ATOM 2020 C HIS A 135 -6.817 19.439 -11.342 1.00 25.00 C ATOM 2021 O HIS A 135 -7.618 19.590 -10.424 1.00 25.00 O ATOM 2022 CB HIS A 135 -7.743 18.451 -13.451 1.00 25.00 C ATOM 2023 CG HIS A 135 -7.983 17.317 -14.367 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -7.230 17.065 -15.481 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -8.973 16.358 -14.399 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -7.638 15.948 -16.080 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -8.698 15.493 -15.447 1.00 25.00 N ATOM 0 H HIS A 135 -8.528 17.431 -11.073 1.00 25.00 H new ATOM 0 HA HIS A 135 -5.955 17.746 -12.514 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -8.709 18.851 -13.142 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -7.235 19.239 -14.008 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -9.815 16.292 -13.726 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -7.176 15.491 -16.942 1.00 25.00 H new ATOM 0 HE2 HIS A 135 -9.224 14.652 -15.685 1.00 25.00 H new ATOM 2035 N ILE A 136 -5.789 20.254 -11.565 1.00 25.00 N ATOM 2036 CA ILE A 136 -5.646 21.541 -10.860 1.00 25.00 C ATOM 2037 C ILE A 136 -5.303 22.587 -11.961 1.00 25.00 C ATOM 2038 O ILE A 136 -4.409 22.434 -12.821 1.00 25.00 O ATOM 2039 CB ILE A 136 -4.531 21.409 -9.828 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -4.783 20.279 -8.809 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -4.354 22.818 -9.038 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -5.809 20.428 -7.645 1.00 25.00 C ATOM 0 H ILE A 136 -5.039 20.053 -12.227 1.00 25.00 H new ATOM 0 HA ILE A 136 -6.546 21.844 -10.324 1.00 25.00 H new ATOM 0 HB ILE A 136 -3.622 21.153 -10.372 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -5.083 19.401 -9.381 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -3.821 20.048 -8.352 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -3.557 22.724 -8.300 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -4.100 23.604 -9.749 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -5.287 23.072 -8.534 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -5.823 19.513 -7.053 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -5.521 21.266 -7.011 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -6.802 20.609 -8.056 1.00 25.00 H new ATOM 2054 N TYR A 137 -6.081 23.642 -12.057 1.00 25.00 N ATOM 2055 CA TYR A 137 -5.747 24.793 -12.971 1.00 25.00 C ATOM 2056 C TYR A 137 -4.909 25.840 -12.183 1.00 25.00 C ATOM 2057 O TYR A 137 -5.338 26.269 -11.137 1.00 25.00 O ATOM 2058 CB TYR A 137 -7.052 25.454 -13.286 1.00 25.00 C ATOM 2059 CG TYR A 137 -6.845 26.763 -14.112 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -7.090 28.016 -13.553 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -6.306 26.673 -15.416 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -6.597 29.213 -14.252 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -6.031 27.835 -16.159 1.00 25.00 C ATOM 2064 CZ TYR A 137 -6.115 29.085 -15.518 1.00 25.00 C ATOM 2065 OH TYR A 137 -5.710 30.226 -16.194 1.00 25.00 O ATOM 0 H TYR A 137 -6.948 23.759 -11.533 1.00 25.00 H new ATOM 0 HA TYR A 137 -5.205 24.450 -13.852 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -7.684 24.765 -13.846 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -7.577 25.686 -12.359 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -7.632 28.107 -12.623 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.104 25.703 -15.845 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -6.617 30.178 -13.768 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -5.760 27.769 -17.202 1.00 25.00 H new ATOM 0 HH TYR A 137 -5.388 29.981 -17.086 1.00 25.00 H new ATOM 2075 N ILE A 138 -3.793 26.307 -12.798 1.00 25.00 N ATOM 2076 CA ILE A 138 -2.946 27.367 -12.204 1.00 25.00 C ATOM 2077 C ILE A 138 -2.749 28.352 -13.365 1.00 25.00 C ATOM 2078 O ILE A 138 -2.340 27.900 -14.477 1.00 25.00 O ATOM 2079 CB ILE A 138 -1.673 26.762 -11.717 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -1.807 25.668 -10.638 1.00 25.00 C ATOM 2081 CG2 ILE A 138 -0.627 27.857 -11.296 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -2.300 26.133 -9.272 1.00 25.00 C ATOM 0 H ILE A 138 -3.462 25.967 -13.701 1.00 25.00 H new ATOM 0 HA ILE A 138 -3.375 27.868 -11.336 1.00 25.00 H new ATOM 0 HB ILE A 138 -1.299 26.227 -12.590 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -2.490 24.903 -11.007 1.00 25.00 H new ATOM 0 HG13 ILE A 138 -0.835 25.192 -10.509 1.00 25.00 H new ATOM 0 HG21 ILE A 138 0.286 27.373 -10.947 1.00 25.00 H new ATOM 0 HG22 ILE A 138 -0.398 28.490 -12.153 1.00 25.00 H new ATOM 0 HG23 ILE A 138 -1.043 28.468 -10.495 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -2.355 25.280 -8.595 1.00 25.00 H new ATOM 0 HD12 ILE A 138 -1.609 26.873 -8.868 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -3.289 26.579 -9.375 1.00 25.00 H new ATOM 2094 N PRO A 139 -3.084 29.682 -13.237 1.00 25.00 N ATOM 2095 CA PRO A 139 -2.896 30.479 -14.459 1.00 25.00 C ATOM 2096 C PRO A 139 -1.453 30.743 -14.892 1.00 25.00 C ATOM 2097 O PRO A 139 -0.519 30.603 -14.086 1.00 25.00 O ATOM 2098 CB PRO A 139 -3.570 31.819 -14.161 1.00 25.00 C ATOM 2099 CG PRO A 139 -3.361 31.939 -12.675 1.00 25.00 C ATOM 2100 CD PRO A 139 -3.509 30.571 -12.125 1.00 25.00 C ATOM 0 HA PRO A 139 -3.315 29.912 -15.290 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -3.107 32.641 -14.708 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -4.627 31.814 -14.427 1.00 25.00 H new ATOM 0 HG2 PRO A 139 -2.374 32.343 -12.452 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -4.091 32.617 -12.233 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -2.887 30.428 -11.241 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -4.538 30.371 -11.827 1.00 25.00 H new ATOM 2108 N GLU A 140 -1.328 31.192 -16.109 1.00 25.00 N ATOM 2109 CA GLU A 140 0.006 31.598 -16.637 1.00 25.00 C ATOM 2110 C GLU A 140 0.255 33.147 -16.437 1.00 25.00 C ATOM 2111 O GLU A 140 0.889 33.925 -17.255 1.00 25.00 O ATOM 2112 CB GLU A 140 0.175 31.261 -18.127 1.00 25.00 C ATOM 2113 CG GLU A 140 1.622 31.164 -18.596 1.00 25.00 C ATOM 2114 CD GLU A 140 1.678 30.514 -20.059 1.00 25.00 C ATOM 2115 OE1 GLU A 140 1.644 31.229 -21.111 1.00 25.00 O ATOM 2116 OE2 GLU A 140 1.596 29.267 -20.155 1.00 25.00 O1- ATOM 0 H GLU A 140 -2.100 31.296 -16.768 1.00 25.00 H new ATOM 0 HA GLU A 140 0.739 31.028 -16.066 1.00 25.00 H new ATOM 0 HB2 GLU A 140 -0.323 30.313 -18.330 1.00 25.00 H new ATOM 0 HB3 GLU A 140 -0.334 32.022 -18.718 1.00 25.00 H new ATOM 0 HG2 GLU A 140 2.076 32.155 -18.611 1.00 25.00 H new ATOM 0 HG3 GLU A 140 2.200 30.559 -17.897 1.00 25.00 H new ATOM 2123 N ASP A 141 -0.177 33.606 -15.309 1.00 25.00 N ATOM 2124 CA ASP A 141 -0.079 35.052 -14.996 1.00 25.00 C ATOM 2125 C ASP A 141 1.327 35.561 -14.634 1.00 25.00 C ATOM 2126 O ASP A 141 1.565 36.788 -14.571 1.00 25.00 O ATOM 2127 CB ASP A 141 -0.938 35.462 -13.812 1.00 25.00 C ATOM 2128 CG ASP A 141 -0.370 34.975 -12.447 1.00 25.00 C ATOM 2129 OD1 ASP A 141 -0.057 33.761 -12.192 1.00 50.00 O ATOM 2130 OD2 ASP A 141 -0.285 35.849 -11.545 1.00 50.00 O1- ATOM 0 H ASP A 141 -0.601 33.036 -14.577 1.00 25.00 H new ATOM 0 HA ASP A 141 -0.410 35.491 -15.937 1.00 25.00 H new ATOM 0 HB2 ASP A 141 -1.027 36.548 -13.795 1.00 25.00 H new ATOM 0 HB3 ASP A 141 -1.943 35.061 -13.944 1.00 25.00 H new ATOM 2135 N ARG A 142 2.215 34.668 -14.234 1.00 25.00 N ATOM 2136 CA ARG A 142 3.586 34.964 -13.900 1.00 25.00 C ATOM 2137 C ARG A 142 4.405 33.757 -14.242 1.00 25.00 C ATOM 2138 O ARG A 142 3.856 32.714 -14.478 1.00 25.00 O ATOM 2139 CB ARG A 142 3.783 35.386 -12.422 1.00 25.00 C ATOM 2140 CG ARG A 142 3.345 34.337 -11.383 1.00 25.00 C ATOM 2141 CD ARG A 142 3.239 35.026 -9.977 1.00 25.00 C ATOM 2142 NE ARG A 142 2.065 35.894 -9.975 1.00 25.00 N ATOM 2143 CZ ARG A 142 1.862 36.946 -9.190 1.00 25.00 C ATOM 2144 NH1 ARG A 142 0.754 37.604 -9.347 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 2.710 37.415 -8.301 1.00 25.00 N ATOM 0 H ARG A 142 1.986 33.679 -14.131 1.00 25.00 H new ATOM 0 HA ARG A 142 3.911 35.829 -14.478 1.00 25.00 H new ATOM 0 HB2 ARG A 142 4.837 35.616 -12.263 1.00 25.00 H new ATOM 0 HB3 ARG A 142 3.226 36.306 -12.245 1.00 25.00 H new ATOM 0 HG2 ARG A 142 2.384 33.906 -11.665 1.00 25.00 H new ATOM 0 HG3 ARG A 142 4.064 33.518 -11.348 1.00 25.00 H new ATOM 0 HD2 ARG A 142 3.156 34.274 -9.192 1.00 25.00 H new ATOM 0 HD3 ARG A 142 4.139 35.605 -9.770 1.00 25.00 H new ATOM 0 HE ARG A 142 1.327 35.670 -10.643 1.00 25.00 H new ATOM 0 HH11 ARG A 142 0.080 37.307 -10.052 1.00 25.00 H new ATOM 0 HH12 ARG A 142 0.558 38.418 -8.765 1.00 25.00 H new ATOM 0 HH21 ARG A 142 3.614 36.962 -8.170 1.00 25.00 H new ATOM 0 HH22 ARG A 142 2.463 38.232 -7.742 1.00 25.00 H new ATOM 2159 N LEU A 143 5.719 33.847 -14.208 1.00 25.00 N ATOM 2160 CA LEU A 143 6.653 32.726 -14.532 1.00 25.00 C ATOM 2161 C LEU A 143 7.103 32.269 -13.107 1.00 25.00 C ATOM 2162 O LEU A 143 7.278 33.123 -12.206 1.00 25.00 O ATOM 2163 CB LEU A 143 7.852 33.176 -15.381 1.00 25.00 C ATOM 2164 CG LEU A 143 7.691 33.540 -16.886 1.00 25.00 C ATOM 2165 CD1 LEU A 143 6.929 34.863 -17.169 1.00 50.00 C ATOM 2166 CD2 LEU A 143 9.030 33.496 -17.654 1.00 50.00 C ATOM 0 H LEU A 143 6.202 34.708 -13.952 1.00 25.00 H new ATOM 0 HA LEU A 143 6.190 31.943 -15.133 1.00 25.00 H new ATOM 0 HB2 LEU A 143 8.280 34.049 -14.888 1.00 25.00 H new ATOM 0 HB3 LEU A 143 8.596 32.381 -15.325 1.00 25.00 H new ATOM 0 HG LEU A 143 7.047 32.749 -17.271 1.00 25.00 H new ATOM 0 HD11 LEU A 143 6.871 35.026 -18.245 1.00 50.00 H new ATOM 0 HD12 LEU A 143 5.922 34.798 -16.757 1.00 50.00 H new ATOM 0 HD13 LEU A 143 7.459 35.695 -16.704 1.00 50.00 H new ATOM 0 HD21 LEU A 143 8.859 33.758 -18.698 1.00 50.00 H new ATOM 0 HD22 LEU A 143 9.727 34.207 -17.211 1.00 50.00 H new ATOM 0 HD23 LEU A 143 9.450 32.492 -17.596 1.00 50.00 H new ATOM 2178 N GLY A 144 7.219 30.954 -12.871 1.00 25.00 N ATOM 2179 CA GLY A 144 7.722 30.519 -11.547 1.00 25.00 C ATOM 2180 C GLY A 144 7.120 29.199 -11.007 1.00 25.00 C ATOM 2181 O GLY A 144 6.236 28.596 -11.682 1.00 25.00 O ATOM 0 H GLY A 144 6.990 30.209 -13.529 1.00 25.00 H new ATOM 0 HA2 GLY A 144 8.804 30.406 -11.608 1.00 25.00 H new ATOM 0 HA3 GLY A 144 7.524 31.311 -10.824 1.00 25.00 H new ATOM 2185 N TYR A 145 7.617 28.754 -9.838 1.00 25.00 N ATOM 2186 CA TYR A 145 7.279 27.506 -9.170 1.00 25.00 C ATOM 2187 C TYR A 145 6.011 27.466 -8.332 1.00 25.00 C ATOM 2188 O TYR A 145 5.709 28.474 -7.665 1.00 25.00 O ATOM 2189 CB TYR A 145 8.497 26.995 -8.373 1.00 25.00 C ATOM 2190 CG TYR A 145 8.858 27.618 -7.063 1.00 25.00 C ATOM 2191 CD1 TYR A 145 9.848 28.681 -7.007 1.00 50.00 C ATOM 2192 CD2 TYR A 145 8.373 27.104 -5.808 1.00 50.00 C ATOM 2193 CE1 TYR A 145 10.226 29.223 -5.759 1.00 25.00 C ATOM 2194 CE2 TYR A 145 8.808 27.682 -4.511 1.00 25.00 C ATOM 2195 CZ TYR A 145 9.663 28.734 -4.509 1.00 25.00 C ATOM 2196 OH TYR A 145 10.068 29.301 -3.354 1.00 25.00 O ATOM 0 H TYR A 145 8.304 29.295 -9.313 1.00 25.00 H new ATOM 0 HA TYR A 145 7.026 26.833 -9.989 1.00 25.00 H new ATOM 0 HB2 TYR A 145 8.341 25.932 -8.192 1.00 25.00 H new ATOM 0 HB3 TYR A 145 9.368 27.083 -9.023 1.00 25.00 H new ATOM 0 HD1 TYR A 145 10.293 29.055 -7.917 1.00 50.00 H new ATOM 0 HD2 TYR A 145 7.676 26.279 -5.810 1.00 50.00 H new ATOM 0 HE1 TYR A 145 10.952 30.022 -5.731 1.00 25.00 H new ATOM 0 HE2 TYR A 145 8.447 27.269 -3.580 1.00 25.00 H new ATOM 0 HH TYR A 145 9.608 28.875 -2.601 1.00 25.00 H new ATOM 2206 N HIS A 146 5.373 26.318 -8.325 1.00 25.00 N ATOM 2207 CA HIS A 146 4.175 26.116 -7.555 1.00 25.00 C ATOM 2208 C HIS A 146 4.176 24.728 -6.877 1.00 25.00 C ATOM 2209 O HIS A 146 4.107 23.709 -7.582 1.00 25.00 O ATOM 2210 CB HIS A 146 3.000 26.137 -8.576 1.00 25.00 C ATOM 2211 CG HIS A 146 2.865 27.423 -9.312 1.00 25.00 C ATOM 2212 ND1 HIS A 146 3.483 27.936 -10.450 1.00 25.00 N flip ATOM 2213 CD2 HIS A 146 2.104 28.511 -8.876 1.00 25.00 C flip ATOM 2214 CE1 HIS A 146 3.086 29.236 -10.640 1.00 25.00 C flip ATOM 2215 NE2 HIS A 146 2.194 29.518 -9.716 1.00 25.00 N flip ATOM 0 H HIS A 146 5.673 25.500 -8.855 1.00 25.00 H new ATOM 0 HA HIS A 146 4.094 26.881 -6.782 1.00 25.00 H new ATOM 0 HB2 HIS A 146 3.142 25.331 -9.296 1.00 25.00 H new ATOM 0 HB3 HIS A 146 2.069 25.932 -8.048 1.00 25.00 H new ATOM 0 HD2 HIS A 146 1.519 28.523 -7.968 1.00 25.00 H new ATOM 0 HE1 HIS A 146 3.442 29.906 -11.409 1.00 25.00 H new ATOM 0 HE2 HIS A 146 1.656 30.383 -9.660 1.00 25.00 H new ATOM 2223 N VAL A 147 4.237 24.664 -5.546 1.00 25.00 N ATOM 2224 CA VAL A 147 4.416 23.367 -4.850 1.00 25.00 C ATOM 2225 C VAL A 147 3.018 22.867 -4.358 1.00 25.00 C ATOM 2226 O VAL A 147 2.307 23.711 -3.761 1.00 25.00 O ATOM 2227 CB VAL A 147 5.263 23.492 -3.539 1.00 25.00 C ATOM 2228 CG1 VAL A 147 5.496 22.169 -2.850 1.00 50.00 C ATOM 2229 CG2 VAL A 147 6.708 24.071 -3.897 1.00 50.00 C ATOM 0 H VAL A 147 4.168 25.473 -4.929 1.00 25.00 H new ATOM 0 HA VAL A 147 4.910 22.705 -5.561 1.00 25.00 H new ATOM 0 HB VAL A 147 4.695 24.143 -2.875 1.00 25.00 H new ATOM 0 HG11 VAL A 147 6.089 22.327 -1.949 1.00 50.00 H new ATOM 0 HG12 VAL A 147 4.538 21.726 -2.580 1.00 50.00 H new ATOM 0 HG13 VAL A 147 6.030 21.498 -3.523 1.00 50.00 H new ATOM 0 HG21 VAL A 147 7.300 24.159 -2.986 1.00 50.00 H new ATOM 0 HG22 VAL A 147 7.209 23.396 -4.591 1.00 50.00 H new ATOM 0 HG23 VAL A 147 6.602 25.053 -4.358 1.00 50.00 H new ATOM 2239 N ILE A 148 2.619 21.609 -4.607 1.00 25.00 N ATOM 2240 CA ILE A 148 1.430 20.912 -3.985 1.00 25.00 C ATOM 2241 C ILE A 148 1.905 19.785 -3.081 1.00 25.00 C ATOM 2242 O ILE A 148 2.708 18.894 -3.436 1.00 25.00 O ATOM 2243 CB ILE A 148 0.418 20.299 -5.021 1.00 25.00 C ATOM 2244 CG1 ILE A 148 -0.109 21.385 -5.926 1.00 25.00 C ATOM 2245 CG2 ILE A 148 -0.798 19.641 -4.306 1.00 25.00 C ATOM 2246 CD1 ILE A 148 -0.995 20.951 -7.020 1.00 25.00 C ATOM 0 H ILE A 148 3.117 21.010 -5.266 1.00 25.00 H new ATOM 0 HA ILE A 148 0.902 21.689 -3.433 1.00 25.00 H new ATOM 0 HB ILE A 148 0.955 19.542 -5.592 1.00 25.00 H new ATOM 0 HG12 ILE A 148 -0.649 22.107 -5.314 1.00 25.00 H new ATOM 0 HG13 ILE A 148 0.741 21.909 -6.362 1.00 25.00 H new ATOM 0 HG21 ILE A 148 -1.478 19.227 -5.051 1.00 25.00 H new ATOM 0 HG22 ILE A 148 -0.447 18.843 -3.652 1.00 25.00 H new ATOM 0 HG23 ILE A 148 -1.322 20.392 -3.714 1.00 25.00 H new ATOM 0 HD11 ILE A 148 -1.309 21.819 -7.600 1.00 25.00 H new ATOM 0 HD12 ILE A 148 -0.460 20.256 -7.667 1.00 25.00 H new ATOM 0 HD13 ILE A 148 -1.873 20.457 -6.603 1.00 25.00 H new ATOM 2258 N LEU A 149 1.322 19.785 -1.885 1.00 25.00 N ATOM 2259 CA LEU A 149 1.703 18.863 -0.840 1.00 25.00 C ATOM 2260 C LEU A 149 0.450 18.085 -0.610 1.00 25.00 C ATOM 2261 O LEU A 149 -0.656 18.645 -0.612 1.00 25.00 O ATOM 2262 CB LEU A 149 2.178 19.542 0.443 1.00 25.00 C ATOM 2263 CG LEU A 149 3.281 20.601 0.183 1.00 25.00 C ATOM 2264 CD1 LEU A 149 2.593 22.000 0.144 1.00 50.00 C ATOM 2265 CD2 LEU A 149 4.423 20.625 1.200 1.00 50.00 C ATOM 0 H LEU A 149 0.574 20.427 -1.622 1.00 25.00 H new ATOM 0 HA LEU A 149 2.560 18.256 -1.133 1.00 25.00 H new ATOM 0 HB2 LEU A 149 1.329 20.019 0.933 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.559 18.787 1.130 1.00 25.00 H new ATOM 0 HG LEU A 149 3.755 20.332 -0.761 1.00 25.00 H new ATOM 0 HD11 LEU A 149 3.343 22.770 -0.038 1.00 50.00 H new ATOM 0 HD12 LEU A 149 1.853 22.019 -0.656 1.00 50.00 H new ATOM 0 HD13 LEU A 149 2.102 22.190 1.098 1.00 50.00 H new ATOM 0 HD21 LEU A 149 5.138 21.400 0.925 1.00 50.00 H new ATOM 0 HD22 LEU A 149 4.023 20.835 2.192 1.00 50.00 H new ATOM 0 HD23 LEU A 149 4.923 19.656 1.209 1.00 50.00 H new ATOM 2277 N ALA A 150 0.524 16.794 -0.428 1.00 25.00 N ATOM 2278 CA ALA A 150 -0.737 16.057 -0.311 1.00 25.00 C ATOM 2279 C ALA A 150 -0.620 14.905 0.623 1.00 25.00 C ATOM 2280 O ALA A 150 0.498 14.270 0.722 1.00 25.00 O ATOM 2281 CB ALA A 150 -1.209 15.623 -1.743 1.00 25.00 C ATOM 0 H ALA A 150 1.380 16.244 -0.359 1.00 25.00 H new ATOM 0 HA ALA A 150 -1.496 16.708 0.123 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -2.147 15.074 -1.666 1.00 25.00 H new ATOM 0 HB2 ALA A 150 -1.357 16.508 -2.361 1.00 25.00 H new ATOM 0 HB3 ALA A 150 -0.451 14.985 -2.198 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.685 14.608 1.372 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.720 13.563 2.419 1.00 25.00 C ATOM 2289 C VAL A 151 -2.917 12.674 1.976 1.00 25.00 C ATOM 2290 O VAL A 151 -3.956 13.245 1.584 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.922 14.134 3.817 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -2.131 13.034 4.809 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -0.778 15.020 4.157 1.00 50.00 C ATOM 0 H VAL A 151 -2.575 15.096 1.270 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.780 13.018 2.499 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.825 14.743 3.847 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -2.273 13.461 5.802 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -3.014 12.457 4.532 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -1.259 12.381 4.817 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -0.920 15.430 5.157 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.148 14.446 4.128 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -0.722 15.835 3.435 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.730 11.366 2.016 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.649 10.373 1.465 1.00 25.00 C ATOM 2305 C TRP A 152 -3.876 9.194 2.432 1.00 25.00 C ATOM 2306 O TRP A 152 -2.914 8.559 2.839 1.00 25.00 O ATOM 2307 CB TRP A 152 -3.049 9.868 0.110 1.00 25.00 C ATOM 2308 CG TRP A 152 -3.873 9.002 -0.722 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -4.834 9.481 -1.581 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -3.733 7.630 -1.000 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -5.492 8.442 -2.171 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -4.822 7.306 -1.866 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -2.815 6.605 -0.671 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -5.019 6.011 -2.391 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -3.045 5.280 -1.186 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -4.147 5.018 -2.037 1.00 25.00 C ATOM 0 H TRP A 152 -1.906 10.947 2.447 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.625 10.833 1.308 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -2.780 10.742 -0.482 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -2.124 9.336 0.332 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -5.038 10.526 -1.762 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -6.336 8.509 -2.739 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -1.959 6.812 -0.046 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -5.842 5.808 -3.060 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -2.371 4.479 -0.921 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -4.301 4.017 -2.413 1.00 25.00 H new ATOM 2327 N ASP A 153 -5.120 9.060 2.917 1.00 25.00 N ATOM 2328 CA ASP A 153 -5.411 8.263 4.097 1.00 25.00 C ATOM 2329 C ASP A 153 -6.220 7.027 3.753 1.00 25.00 C ATOM 2330 O ASP A 153 -7.258 7.109 3.002 1.00 25.00 O ATOM 2331 CB ASP A 153 -6.209 9.075 5.124 1.00 25.00 C ATOM 2332 CG ASP A 153 -6.346 8.316 6.454 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -7.413 8.544 7.095 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -5.440 7.585 6.938 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.940 9.501 2.499 1.00 25.00 H new ATOM 0 HA ASP A 153 -4.448 7.966 4.513 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -5.715 10.031 5.298 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -7.199 9.296 4.726 1.00 25.00 H new ATOM 2339 N VAL A 154 -5.707 5.928 4.231 1.00 25.00 N ATOM 2340 CA VAL A 154 -6.165 4.577 3.863 1.00 25.00 C ATOM 2341 C VAL A 154 -6.593 3.890 5.128 1.00 25.00 C ATOM 2342 O VAL A 154 -5.757 3.892 6.059 1.00 25.00 O ATOM 2343 CB VAL A 154 -5.079 3.770 3.059 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -5.496 2.365 2.675 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -4.559 4.502 1.819 1.00 50.00 C ATOM 0 H VAL A 154 -4.940 5.924 4.904 1.00 25.00 H new ATOM 0 HA VAL A 154 -7.010 4.640 3.177 1.00 25.00 H new ATOM 0 HB VAL A 154 -4.264 3.687 3.779 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -4.688 1.883 2.125 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -5.714 1.791 3.576 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -6.387 2.408 2.048 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -3.814 3.884 1.317 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -5.387 4.697 1.138 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -4.105 5.447 2.118 1.00 50.00 H new ATOM 2355 N ALA A 155 -7.835 3.479 5.279 1.00 25.00 N ATOM 2356 CA ALA A 155 -8.325 3.085 6.648 1.00 25.00 C ATOM 2357 C ALA A 155 -7.695 1.931 7.356 1.00 25.00 C ATOM 2358 O ALA A 155 -7.852 1.781 8.527 1.00 25.00 O ATOM 2359 CB ALA A 155 -9.846 2.891 6.571 1.00 25.00 C ATOM 0 H ALA A 155 -8.521 3.400 4.529 1.00 25.00 H new ATOM 0 HA ALA A 155 -8.008 3.915 7.279 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -10.226 2.605 7.552 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -10.316 3.823 6.257 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -10.077 2.107 5.849 1.00 25.00 H new ATOM 2365 N ASP A 156 -6.901 1.102 6.671 1.00 25.00 N ATOM 2366 CA ASP A 156 -6.336 -0.067 7.310 1.00 25.00 C ATOM 2367 C ASP A 156 -5.179 0.278 8.220 1.00 25.00 C ATOM 2368 O ASP A 156 -4.797 -0.501 9.124 1.00 25.00 O ATOM 2369 CB ASP A 156 -5.792 -1.038 6.287 1.00 25.00 C ATOM 2370 CG ASP A 156 -6.743 -1.459 5.254 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -7.910 -1.847 5.564 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -6.367 -1.506 4.080 1.00 25.00 O1- ATOM 0 H ASP A 156 -6.644 1.224 5.691 1.00 25.00 H new ATOM 0 HA ASP A 156 -7.153 -0.505 7.884 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -4.930 -0.582 5.800 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -5.431 -1.925 6.808 1.00 25.00 H new ATOM 2377 N THR A 157 -4.584 1.441 8.060 1.00 25.00 N ATOM 2378 CA THR A 157 -3.420 1.909 8.833 1.00 25.00 C ATOM 2379 C THR A 157 -3.785 3.103 9.757 1.00 25.00 C ATOM 2380 O THR A 157 -4.630 3.900 9.382 1.00 25.00 O ATOM 2381 CB THR A 157 -2.361 2.360 7.774 1.00 25.00 C ATOM 2382 OG1 THR A 157 -3.017 3.230 6.858 1.00 25.00 O ATOM 2383 CG2 THR A 157 -1.856 1.047 7.031 1.00 25.00 C ATOM 0 H THR A 157 -4.898 2.121 7.367 1.00 25.00 H new ATOM 0 HA THR A 157 -3.048 1.117 9.483 1.00 25.00 H new ATOM 0 HB THR A 157 -1.513 2.879 8.222 1.00 25.00 H new ATOM 0 HG1 THR A 157 -2.873 4.160 7.130 1.00 25.00 H new ATOM 0 HG21 THR A 157 -1.113 1.317 6.281 1.00 25.00 H new ATOM 0 HG22 THR A 157 -1.409 0.367 7.757 1.00 25.00 H new ATOM 0 HG23 THR A 157 -2.700 0.556 6.546 1.00 25.00 H new ATOM 2391 N GLU A 158 -3.058 3.274 10.851 1.00 25.00 N ATOM 2392 CA GLU A 158 -3.183 4.472 11.714 1.00 25.00 C ATOM 2393 C GLU A 158 -2.400 5.544 10.940 1.00 25.00 C ATOM 2394 O GLU A 158 -2.666 6.791 11.050 1.00 25.00 O ATOM 2395 CB GLU A 158 -2.574 4.202 13.099 1.00 25.00 C ATOM 2396 CG GLU A 158 -2.636 5.408 14.140 1.00 25.00 C ATOM 2397 CD GLU A 158 -4.046 5.555 14.775 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -5.002 4.995 14.256 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -4.194 6.302 15.716 1.00 25.00 O1- ATOM 0 H GLU A 158 -2.365 2.600 11.177 1.00 25.00 H new ATOM 0 HA GLU A 158 -4.214 4.770 11.906 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -3.085 3.344 13.537 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -1.530 3.918 12.965 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -1.899 5.246 14.927 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -2.366 6.336 13.636 1.00 25.00 H new ATOM 2406 N ASN A 159 -1.404 5.162 10.150 1.00 25.00 N ATOM 2407 CA ASN A 159 -0.619 6.113 9.330 1.00 25.00 C ATOM 2408 C ASN A 159 -1.400 6.669 8.137 1.00 25.00 C ATOM 2409 O ASN A 159 -2.531 6.246 7.853 1.00 25.00 O ATOM 2410 CB ASN A 159 0.577 5.328 8.744 1.00 25.00 C ATOM 2411 CG ASN A 159 1.846 5.569 9.482 1.00 25.00 C ATOM 2412 OD1 ASN A 159 2.434 6.622 9.298 1.00 25.00 O ATOM 2413 ND2 ASN A 159 2.269 4.652 10.217 1.00 25.00 N ATOM 0 H ASN A 159 -1.108 4.191 10.051 1.00 25.00 H new ATOM 0 HA ASN A 159 -0.336 6.947 9.972 1.00 25.00 H new ATOM 0 HB2 ASN A 159 0.349 4.262 8.762 1.00 25.00 H new ATOM 0 HB3 ASN A 159 0.712 5.608 7.699 1.00 25.00 H new ATOM 0 HD21 ASN A 159 3.157 4.760 10.707 1.00 25.00 H new ATOM 0 HD22 ASN A 159 1.726 3.795 10.327 1.00 25.00 H new ATOM 2420 N ALA A 160 -0.724 7.534 7.394 1.00 25.00 N ATOM 2421 CA ALA A 160 -1.203 8.171 6.201 1.00 25.00 C ATOM 2422 C ALA A 160 -0.045 8.389 5.279 1.00 25.00 C ATOM 2423 O ALA A 160 1.029 8.569 5.794 1.00 25.00 O ATOM 2424 CB ALA A 160 -1.829 9.554 6.519 1.00 25.00 C ATOM 0 H ALA A 160 0.226 7.818 7.631 1.00 25.00 H new ATOM 0 HA ALA A 160 -1.961 7.532 5.748 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -2.183 10.014 5.596 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -2.666 9.425 7.205 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -1.078 10.196 6.979 1.00 25.00 H new ATOM 2430 N PHE A 161 -0.294 8.409 4.004 1.00 25.00 N ATOM 2431 CA PHE A 161 0.768 8.629 3.065 1.00 25.00 C ATOM 2432 C PHE A 161 0.873 10.094 2.664 1.00 25.00 C ATOM 2433 O PHE A 161 -0.051 10.900 2.806 1.00 25.00 O ATOM 2434 CB PHE A 161 0.538 7.826 1.791 1.00 25.00 C ATOM 2435 CG PHE A 161 0.457 6.366 1.975 1.00 25.00 C ATOM 2436 CD1 PHE A 161 -0.764 5.654 1.917 1.00 50.00 C ATOM 2437 CD2 PHE A 161 1.604 5.625 2.141 1.00 50.00 C ATOM 2438 CE1 PHE A 161 -0.750 4.213 1.949 1.00 25.00 C ATOM 2439 CE2 PHE A 161 1.571 4.220 2.084 1.00 25.00 C ATOM 2440 CZ PHE A 161 0.407 3.526 2.006 1.00 25.00 C ATOM 0 H PHE A 161 -1.217 8.277 3.590 1.00 25.00 H new ATOM 0 HA PHE A 161 1.686 8.315 3.562 1.00 25.00 H new ATOM 0 HB2 PHE A 161 -0.386 8.169 1.326 1.00 25.00 H new ATOM 0 HB3 PHE A 161 1.346 8.044 1.093 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -1.701 6.187 1.849 1.00 50.00 H new ATOM 0 HD2 PHE A 161 2.543 6.129 2.318 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -1.685 3.674 1.927 1.00 25.00 H new ATOM 0 HE2 PHE A 161 2.503 3.675 2.103 1.00 25.00 H new ATOM 0 HZ PHE A 161 0.409 2.446 1.990 1.00 25.00 H new ATOM 2450 N TYR A 162 2.122 10.504 2.336 1.00 25.00 N ATOM 2451 CA TYR A 162 2.452 11.880 2.152 1.00 25.00 C ATOM 2452 C TYR A 162 3.292 12.012 0.823 1.00 25.00 C ATOM 2453 O TYR A 162 4.303 11.239 0.656 1.00 25.00 O ATOM 2454 CB TYR A 162 3.281 12.404 3.360 1.00 25.00 C ATOM 2455 CG TYR A 162 3.926 13.727 3.106 1.00 25.00 C ATOM 2456 CD1 TYR A 162 5.274 13.839 2.705 1.00 50.00 C ATOM 2457 CD2 TYR A 162 3.176 14.882 3.300 1.00 50.00 C ATOM 2458 CE1 TYR A 162 5.794 15.153 2.345 1.00 25.00 C ATOM 2459 CE2 TYR A 162 3.734 16.097 3.024 1.00 25.00 C ATOM 2460 CZ TYR A 162 5.019 16.246 2.523 1.00 25.00 C ATOM 2461 OH TYR A 162 5.550 17.508 2.390 1.00 25.00 O ATOM 0 H TYR A 162 2.906 9.867 2.199 1.00 25.00 H new ATOM 0 HA TYR A 162 1.541 12.474 2.083 1.00 25.00 H new ATOM 0 HB2 TYR A 162 2.630 12.487 4.230 1.00 25.00 H new ATOM 0 HB3 TYR A 162 4.052 11.674 3.607 1.00 25.00 H new ATOM 0 HD1 TYR A 162 5.910 12.967 2.665 1.00 50.00 H new ATOM 0 HD2 TYR A 162 2.162 14.818 3.666 1.00 50.00 H new ATOM 0 HE1 TYR A 162 6.790 15.252 1.940 1.00 25.00 H new ATOM 0 HE2 TYR A 162 3.147 16.985 3.204 1.00 25.00 H new ATOM 0 HH TYR A 162 6.285 17.487 1.742 1.00 25.00 H new ATOM 2471 N GLN A 163 2.964 12.902 -0.055 1.00 25.00 N ATOM 2472 CA GLN A 163 3.728 13.120 -1.237 1.00 25.00 C ATOM 2473 C GLN A 163 3.810 14.634 -1.617 1.00 25.00 C ATOM 2474 O GLN A 163 2.949 15.454 -1.180 1.00 25.00 O ATOM 2475 CB GLN A 163 3.143 12.385 -2.438 1.00 25.00 C ATOM 2476 CG GLN A 163 1.601 12.645 -2.690 1.00 25.00 C ATOM 2477 CD GLN A 163 0.733 11.643 -1.910 1.00 25.00 C ATOM 2478 OE1 GLN A 163 1.250 10.709 -1.217 1.00 25.00 O ATOM 2479 NE2 GLN A 163 -0.571 11.737 -2.037 1.00 25.00 N ATOM 0 H GLN A 163 2.146 13.506 0.031 1.00 25.00 H new ATOM 0 HA GLN A 163 4.722 12.738 -1.007 1.00 25.00 H new ATOM 0 HB2 GLN A 163 3.697 12.677 -3.330 1.00 25.00 H new ATOM 0 HB3 GLN A 163 3.299 11.315 -2.302 1.00 25.00 H new ATOM 0 HG2 GLN A 163 1.347 13.661 -2.389 1.00 25.00 H new ATOM 0 HG3 GLN A 163 1.385 12.565 -3.755 1.00 25.00 H new ATOM 0 HE21 GLN A 163 -0.976 12.489 -2.594 1.00 25.00 H new ATOM 0 HE22 GLN A 163 -1.178 11.058 -1.578 1.00 25.00 H new ATOM 2488 N VAL A 164 4.829 15.043 -2.378 1.00 25.00 N ATOM 2489 CA VAL A 164 5.016 16.489 -2.593 1.00 25.00 C ATOM 2490 C VAL A 164 5.596 16.683 -4.034 1.00 25.00 C ATOM 2491 O VAL A 164 6.497 15.957 -4.470 1.00 25.00 O ATOM 2492 CB VAL A 164 5.880 17.196 -1.446 1.00 25.00 C ATOM 2493 CG1 VAL A 164 7.249 16.573 -1.221 1.00 75.00 C ATOM 2494 CG2 VAL A 164 5.957 18.741 -1.704 1.00 75.00 C ATOM 0 H VAL A 164 5.507 14.434 -2.836 1.00 25.00 H new ATOM 0 HA VAL A 164 4.055 16.999 -2.522 1.00 25.00 H new ATOM 0 HB VAL A 164 5.355 17.024 -0.506 1.00 25.00 H new ATOM 0 HG11 VAL A 164 7.768 17.112 -0.428 1.00 75.00 H new ATOM 0 HG12 VAL A 164 7.130 15.528 -0.933 1.00 75.00 H new ATOM 0 HG13 VAL A 164 7.831 16.632 -2.141 1.00 75.00 H new ATOM 0 HG21 VAL A 164 6.547 19.212 -0.918 1.00 75.00 H new ATOM 0 HG22 VAL A 164 6.427 18.926 -2.670 1.00 75.00 H new ATOM 0 HG23 VAL A 164 4.951 19.161 -1.703 1.00 75.00 H new ATOM 2504 N ILE A 165 4.955 17.546 -4.827 1.00 25.00 N ATOM 2505 CA ILE A 165 5.360 17.786 -6.233 1.00 25.00 C ATOM 2506 C ILE A 165 5.488 19.352 -6.430 1.00 25.00 C ATOM 2507 O ILE A 165 4.569 20.109 -6.016 1.00 25.00 O ATOM 2508 CB ILE A 165 4.391 17.215 -7.252 1.00 25.00 C ATOM 2509 CG1 ILE A 165 4.102 15.756 -6.838 1.00 25.00 C ATOM 2510 CG2 ILE A 165 4.953 17.373 -8.731 1.00 25.00 C ATOM 2511 CD1 ILE A 165 3.159 15.034 -7.819 1.00 25.00 C ATOM 0 H ILE A 165 4.150 18.096 -4.527 1.00 25.00 H new ATOM 0 HA ILE A 165 6.306 17.273 -6.407 1.00 25.00 H new ATOM 0 HB ILE A 165 3.450 17.764 -7.263 1.00 25.00 H new ATOM 0 HG12 ILE A 165 5.042 15.208 -6.775 1.00 25.00 H new ATOM 0 HG13 ILE A 165 3.660 15.746 -5.842 1.00 25.00 H new ATOM 0 HG21 ILE A 165 4.237 16.955 -9.439 1.00 25.00 H new ATOM 0 HG22 ILE A 165 5.106 18.430 -8.951 1.00 25.00 H new ATOM 0 HG23 ILE A 165 5.901 16.843 -8.818 1.00 25.00 H new ATOM 0 HD11 ILE A 165 2.992 14.013 -7.478 1.00 25.00 H new ATOM 0 HD12 ILE A 165 2.207 15.562 -7.864 1.00 25.00 H new ATOM 0 HD13 ILE A 165 3.611 15.016 -8.811 1.00 25.00 H new ATOM 2523 N ASP A 166 6.540 19.780 -7.115 1.00 25.00 N ATOM 2524 CA ASP A 166 6.640 21.175 -7.511 1.00 25.00 C ATOM 2525 C ASP A 166 6.758 21.300 -8.976 1.00 25.00 C ATOM 2526 O ASP A 166 7.520 20.569 -9.602 1.00 25.00 O ATOM 2527 CB ASP A 166 7.877 21.781 -6.802 1.00 25.00 C ATOM 2528 CG ASP A 166 8.014 23.242 -7.070 1.00 25.00 C ATOM 2529 OD1 ASP A 166 9.174 23.676 -7.157 1.00 25.00 O ATOM 2530 OD2 ASP A 166 7.019 23.950 -7.317 1.00 25.00 O1- ATOM 0 H ASP A 166 7.322 19.192 -7.403 1.00 25.00 H new ATOM 0 HA ASP A 166 5.739 21.714 -7.218 1.00 25.00 H new ATOM 0 HB2 ASP A 166 7.797 21.615 -5.728 1.00 25.00 H new ATOM 0 HB3 ASP A 166 8.776 21.265 -7.138 1.00 25.00 H new ATOM 2535 N VAL A 167 5.871 22.120 -9.545 1.00 25.00 N ATOM 2536 CA VAL A 167 5.911 22.377 -10.988 1.00 25.00 C ATOM 2537 C VAL A 167 6.254 23.804 -11.287 1.00 25.00 C ATOM 2538 O VAL A 167 5.824 24.757 -10.615 1.00 25.00 O ATOM 2539 CB VAL A 167 4.594 21.866 -11.638 1.00 25.00 C ATOM 2540 CG1 VAL A 167 4.503 20.353 -11.500 1.00 50.00 C ATOM 2541 CG2 VAL A 167 3.371 22.493 -11.087 1.00 50.00 C ATOM 0 H VAL A 167 5.130 22.609 -9.042 1.00 25.00 H new ATOM 0 HA VAL A 167 6.722 21.813 -11.449 1.00 25.00 H new ATOM 0 HB VAL A 167 4.640 22.155 -12.688 1.00 25.00 H new ATOM 0 HG11 VAL A 167 3.578 20.001 -11.957 1.00 50.00 H new ATOM 0 HG12 VAL A 167 5.354 19.890 -12.000 1.00 50.00 H new ATOM 0 HG13 VAL A 167 4.511 20.083 -10.444 1.00 50.00 H new ATOM 0 HG21 VAL A 167 2.495 22.085 -11.591 1.00 50.00 H new ATOM 0 HG22 VAL A 167 3.305 22.285 -10.019 1.00 50.00 H new ATOM 0 HG23 VAL A 167 3.412 23.571 -11.245 1.00 50.00 H new ATOM 2551 N ASP A 168 7.185 23.983 -12.214 1.00 25.00 N ATOM 2552 CA ASP A 168 7.703 25.254 -12.649 1.00 25.00 C ATOM 2553 C ASP A 168 6.896 25.591 -13.903 1.00 25.00 C ATOM 2554 O ASP A 168 6.843 24.824 -14.829 1.00 25.00 O ATOM 2555 CB ASP A 168 9.235 25.254 -12.939 1.00 25.00 C ATOM 2556 CG ASP A 168 9.801 26.594 -13.362 1.00 25.00 C ATOM 2557 OD1 ASP A 168 10.814 26.588 -14.108 1.00 25.00 O ATOM 2558 OD2 ASP A 168 9.396 27.606 -12.782 1.00 25.00 O1- ATOM 0 H ASP A 168 7.616 23.198 -12.703 1.00 25.00 H new ATOM 0 HA ASP A 168 7.596 25.997 -11.859 1.00 25.00 H new ATOM 0 HB2 ASP A 168 9.760 24.920 -12.044 1.00 25.00 H new ATOM 0 HB3 ASP A 168 9.442 24.524 -13.722 1.00 25.00 H new ATOM 2563 N LEU A 169 6.109 26.648 -13.740 1.00 25.00 N ATOM 2564 CA LEU A 169 5.132 27.016 -14.783 1.00 25.00 C ATOM 2565 C LEU A 169 5.542 28.269 -15.446 1.00 25.00 C ATOM 2566 O LEU A 169 5.535 29.288 -14.758 1.00 25.00 O ATOM 2567 CB LEU A 169 3.737 27.038 -14.156 1.00 25.00 C ATOM 2568 CG LEU A 169 3.226 25.727 -13.530 1.00 25.00 C ATOM 2569 CD1 LEU A 169 1.901 26.005 -12.993 1.00 50.00 C ATOM 2570 CD2 LEU A 169 3.251 24.580 -14.539 1.00 50.00 C ATOM 0 H LEU A 169 6.118 27.257 -12.922 1.00 25.00 H new ATOM 0 HA LEU A 169 5.099 26.278 -15.585 1.00 25.00 H new ATOM 0 HB2 LEU A 169 3.726 27.808 -13.384 1.00 25.00 H new ATOM 0 HB3 LEU A 169 3.027 27.345 -14.923 1.00 25.00 H new ATOM 0 HG LEU A 169 3.876 25.390 -12.722 1.00 25.00 H new ATOM 0 HD11 LEU A 169 1.496 25.101 -12.537 1.00 50.00 H new ATOM 0 HD12 LEU A 169 1.971 26.791 -12.241 1.00 50.00 H new ATOM 0 HD13 LEU A 169 1.243 26.331 -13.799 1.00 50.00 H new ATOM 0 HD21 LEU A 169 2.884 23.670 -14.064 1.00 50.00 H new ATOM 0 HD22 LEU A 169 2.614 24.828 -15.388 1.00 50.00 H new ATOM 0 HD23 LEU A 169 4.272 24.422 -14.885 1.00 50.00 H new ATOM 2582 N VAL A 170 5.938 28.199 -16.671 1.00 25.00 N ATOM 2583 CA VAL A 170 6.460 29.405 -17.357 1.00 25.00 C ATOM 2584 C VAL A 170 5.851 29.599 -18.762 1.00 25.00 C ATOM 2585 O VAL A 170 5.486 28.666 -19.513 1.00 25.00 O ATOM 2586 CB VAL A 170 8.057 29.331 -17.508 1.00 25.00 C ATOM 2587 CG1 VAL A 170 8.774 29.222 -16.080 1.00 50.00 C ATOM 2588 CG2 VAL A 170 8.468 28.165 -18.350 1.00 50.00 C ATOM 0 H VAL A 170 5.925 27.351 -17.238 1.00 25.00 H new ATOM 0 HA VAL A 170 6.174 30.251 -16.733 1.00 25.00 H new ATOM 0 HB VAL A 170 8.370 30.254 -17.995 1.00 25.00 H new ATOM 0 HG11 VAL A 170 9.854 29.174 -16.218 1.00 50.00 H new ATOM 0 HG12 VAL A 170 8.524 30.096 -15.479 1.00 50.00 H new ATOM 0 HG13 VAL A 170 8.433 28.321 -15.569 1.00 50.00 H new ATOM 0 HG21 VAL A 170 9.555 28.142 -18.434 1.00 50.00 H new ATOM 0 HG22 VAL A 170 8.120 27.241 -17.887 1.00 50.00 H new ATOM 0 HG23 VAL A 170 8.029 28.261 -19.343 1.00 50.00 H new ATOM 2598 N ASN A 171 5.845 30.868 -19.197 1.00 25.00 N ATOM 2599 CA ASN A 171 5.529 31.234 -20.592 1.00 25.00 C ATOM 2600 C ASN A 171 6.575 30.502 -21.485 1.00 25.00 C ATOM 2601 O ASN A 171 7.734 30.672 -21.232 1.00 25.00 O ATOM 2602 CB ASN A 171 5.639 32.749 -20.777 1.00 25.00 C ATOM 2603 CG ASN A 171 5.357 33.166 -22.160 1.00 25.00 C ATOM 2604 OD1 ASN A 171 4.234 33.040 -22.714 1.00 25.00 O ATOM 2605 ND2 ASN A 171 6.380 33.608 -22.853 1.00 25.00 N ATOM 0 H ASN A 171 6.057 31.667 -18.599 1.00 25.00 H new ATOM 0 HA ASN A 171 4.512 30.945 -20.858 1.00 25.00 H new ATOM 0 HB2 ASN A 171 4.943 33.247 -20.101 1.00 25.00 H new ATOM 0 HB3 ASN A 171 6.641 33.075 -20.499 1.00 25.00 H new ATOM 0 HD21 ASN A 171 6.264 33.848 -23.837 1.00 25.00 H new ATOM 0 HD22 ASN A 171 7.292 33.711 -22.407 1.00 25.00 H new ATOM 2612 N LYS A 172 6.127 29.739 -22.476 1.00 25.00 N ATOM 2613 CA LYS A 172 6.996 29.003 -23.414 1.00 25.00 C ATOM 2614 C LYS A 172 7.716 30.013 -24.302 1.00 25.00 C ATOM 2615 O LYS A 172 8.745 29.591 -24.901 1.00 25.00 O ATOM 2616 CB LYS A 172 6.142 28.124 -24.344 1.00 25.00 C ATOM 2617 CG LYS A 172 5.283 28.873 -25.384 1.00 25.00 C ATOM 2618 CD LYS A 172 4.329 27.880 -26.057 1.00 25.00 C ATOM 2619 CE LYS A 172 3.293 28.602 -26.950 1.00 25.00 C ATOM 2620 NZ LYS A 172 3.594 29.297 -28.209 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 7.249 31.200 -24.386 1.00 25.00 O1- ATOM 0 H LYS A 172 5.133 29.606 -22.661 1.00 25.00 H new ATOM 0 HA LYS A 172 7.694 28.391 -22.842 1.00 25.00 H new ATOM 0 HB2 LYS A 172 6.805 27.440 -24.874 1.00 25.00 H new ATOM 0 HB3 LYS A 172 5.481 27.514 -23.728 1.00 25.00 H new ATOM 0 HG2 LYS A 172 4.717 29.669 -24.901 1.00 25.00 H new ATOM 0 HG3 LYS A 172 5.923 29.344 -26.130 1.00 25.00 H new ATOM 0 HD2 LYS A 172 4.902 27.176 -26.660 1.00 25.00 H new ATOM 0 HD3 LYS A 172 3.811 27.299 -25.294 1.00 25.00 H new ATOM 0 HE2 LYS A 172 2.539 27.854 -27.196 1.00 25.00 H new ATOM 0 HE3 LYS A 172 2.812 29.341 -26.310 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 2.718 29.693 -28.605 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 4.271 30.066 -28.028 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 4.007 28.625 -28.887 1.00 25.00 H new TER 2635 LYS A 172 HETATM 2636 CU CU1 A 173 -0.921 3.026 -1.574 1.00 0.00 CU