USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 730 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 LYS NZ :NH3+ 151:sc= -0.15 (180deg=-0.66) USER MOD Set 1.2: A 89 ASN : amide:sc= -2.52 K(o=-2.7,f=-4.6!) USER MOD Set 2.1: A 45 ASN : amide:sc= 0.372 K(o=0.41,f=-5!) USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0.0397 USER MOD Set 3.1: A 20 TYR OH : rot 78:sc= 0.503 USER MOD Set 3.2: A 81 THR OG1 : rot -3:sc= 0.0845 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0762 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 58:sc= 0.691 USER MOD Single : A 6 SER OG : rot 26:sc= 0.32 USER MOD Single : A 8 MET CE :methyl 145:sc= -1.15 (180deg=-4.49!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 14 MET CE :methyl -176:sc= 0 (180deg=-0.00136) USER MOD Single : A 21 MET CE :methyl -129:sc= -3.12 (180deg=-7.35!) USER MOD Single : A 24 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.8!) USER MOD Single : A 27 SER OG : rot 90:sc= 0.484 USER MOD Single : A 32 THR OG1 : rot 72:sc= 0.908 USER MOD Single : A 33 MET CE :methyl 138:sc= -5.79! (180deg=-7.84!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0836 USER MOD Single : A 55 CYS SG : rot -120:sc= -1.3 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.538) USER MOD Single : A 68 CYS SG : rot -134:sc= -1.78! USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.0641 F(o=-0.49,f=0.064) USER MOD Single : A 71 LYS NZ :NH3+ -132:sc= -1.4 (180deg=-3.72!) USER MOD Single : A 73 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -178:sc= 0.00457 (180deg=0.00435) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.465 USER MOD Single : A 92 THR OG1 : rot -47:sc= 0.851 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -19:sc= 0.638 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.456 11.301 -14.927 1.00 0.00 N ATOM 2 CA GLY A 1 8.502 11.469 -15.918 1.00 0.00 C ATOM 3 C GLY A 1 8.318 12.725 -16.748 1.00 0.00 C ATOM 4 O GLY A 1 7.424 13.528 -16.481 1.00 0.00 O ATOM 0 H1 GLY A 1 7.883 11.216 -13.983 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.823 12.126 -14.948 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.911 10.441 -15.140 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.470 11.506 -15.418 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.517 10.601 -16.577 1.00 0.00 H new ATOM 8 N SER A 2 9.168 12.896 -17.756 1.00 0.00 N ATOM 9 CA SER A 2 9.099 14.065 -18.624 1.00 0.00 C ATOM 10 C SER A 2 9.191 13.659 -20.091 1.00 0.00 C ATOM 11 O SER A 2 8.505 14.219 -20.946 1.00 0.00 O ATOM 12 CB SER A 2 10.222 15.047 -18.283 1.00 0.00 C ATOM 13 OG SER A 2 10.011 15.642 -17.015 1.00 0.00 O ATOM 0 H SER A 2 9.912 12.239 -17.991 1.00 0.00 H new ATOM 0 HA SER A 2 8.138 14.552 -18.460 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.179 14.526 -18.289 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.276 15.822 -19.047 1.00 0.00 H new ATOM 0 HG SER A 2 10.743 16.264 -16.820 1.00 0.00 H new ATOM 19 N SER A 3 10.044 12.680 -20.375 1.00 0.00 N ATOM 20 CA SER A 3 10.230 12.200 -21.739 1.00 0.00 C ATOM 21 C SER A 3 9.396 10.947 -21.993 1.00 0.00 C ATOM 22 O SER A 3 8.749 10.818 -23.031 1.00 0.00 O ATOM 23 CB SER A 3 11.708 11.905 -22.002 1.00 0.00 C ATOM 24 OG SER A 3 12.463 13.102 -22.065 1.00 0.00 O ATOM 0 H SER A 3 10.617 12.204 -19.679 1.00 0.00 H new ATOM 0 HA SER A 3 9.896 12.982 -22.421 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.101 11.265 -21.212 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.812 11.356 -22.938 1.00 0.00 H new ATOM 0 HG SER A 3 13.404 12.887 -22.232 1.00 0.00 H new ATOM 30 N GLY A 4 9.419 10.025 -21.035 1.00 0.00 N ATOM 31 CA GLY A 4 8.662 8.794 -21.172 1.00 0.00 C ATOM 32 C GLY A 4 9.554 7.571 -21.246 1.00 0.00 C ATOM 33 O GLY A 4 10.778 7.689 -21.295 1.00 0.00 O ATOM 0 H GLY A 4 9.948 10.109 -20.167 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.982 8.693 -20.326 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.048 8.847 -22.071 1.00 0.00 H new ATOM 37 N SER A 5 8.940 6.392 -21.252 1.00 0.00 N ATOM 38 CA SER A 5 9.687 5.141 -21.314 1.00 0.00 C ATOM 39 C SER A 5 10.931 5.207 -20.434 1.00 0.00 C ATOM 40 O SER A 5 12.036 4.898 -20.878 1.00 0.00 O ATOM 41 CB SER A 5 10.086 4.832 -22.758 1.00 0.00 C ATOM 42 OG SER A 5 11.118 5.698 -23.198 1.00 0.00 O ATOM 0 H SER A 5 7.927 6.277 -21.215 1.00 0.00 H new ATOM 0 HA SER A 5 9.043 4.343 -20.944 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.419 3.797 -22.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.218 4.936 -23.409 1.00 0.00 H new ATOM 0 HG SER A 5 11.894 5.609 -22.607 1.00 0.00 H new ATOM 48 N SER A 6 10.741 5.612 -19.182 1.00 0.00 N ATOM 49 CA SER A 6 11.848 5.723 -18.238 1.00 0.00 C ATOM 50 C SER A 6 11.733 4.669 -17.141 1.00 0.00 C ATOM 51 O SER A 6 10.872 4.757 -16.268 1.00 0.00 O ATOM 52 CB SER A 6 11.878 7.120 -17.617 1.00 0.00 C ATOM 53 OG SER A 6 12.042 8.117 -18.612 1.00 0.00 O ATOM 0 H SER A 6 9.832 5.869 -18.798 1.00 0.00 H new ATOM 0 HA SER A 6 12.777 5.556 -18.783 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.953 7.298 -17.069 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.693 7.184 -16.896 1.00 0.00 H new ATOM 0 HG SER A 6 11.705 7.782 -19.469 1.00 0.00 H new ATOM 59 N GLY A 7 12.610 3.671 -17.194 1.00 0.00 N ATOM 60 CA GLY A 7 12.592 2.613 -16.200 1.00 0.00 C ATOM 61 C GLY A 7 11.186 2.260 -15.756 1.00 0.00 C ATOM 62 O GLY A 7 10.293 2.081 -16.584 1.00 0.00 O ATOM 0 H GLY A 7 13.333 3.576 -17.908 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.074 1.725 -16.610 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.177 2.922 -15.334 1.00 0.00 H new ATOM 66 N MET A 8 10.990 2.156 -14.446 1.00 0.00 N ATOM 67 CA MET A 8 9.683 1.821 -13.893 1.00 0.00 C ATOM 68 C MET A 8 8.808 3.065 -13.772 1.00 0.00 C ATOM 69 O MET A 8 8.598 3.582 -12.676 1.00 0.00 O ATOM 70 CB MET A 8 9.839 1.158 -12.524 1.00 0.00 C ATOM 71 CG MET A 8 10.759 1.917 -11.582 1.00 0.00 C ATOM 72 SD MET A 8 10.705 1.281 -9.896 1.00 0.00 S ATOM 73 CE MET A 8 11.207 -0.418 -10.158 1.00 0.00 C ATOM 0 H MET A 8 11.719 2.299 -13.748 1.00 0.00 H new ATOM 0 HA MET A 8 9.197 1.122 -14.574 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.857 1.063 -12.061 1.00 0.00 H new ATOM 0 HB3 MET A 8 10.226 0.148 -12.661 1.00 0.00 H new ATOM 0 HG2 MET A 8 11.782 1.860 -11.955 1.00 0.00 H new ATOM 0 HG3 MET A 8 10.479 2.971 -11.578 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.801 -0.757 -9.309 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.323 -1.048 -10.256 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.803 -0.485 -11.068 1.00 0.00 H new ATOM 83 N ALA A 9 8.302 3.540 -14.906 1.00 0.00 N ATOM 84 CA ALA A 9 7.450 4.722 -14.925 1.00 0.00 C ATOM 85 C ALA A 9 5.976 4.337 -14.863 1.00 0.00 C ATOM 86 O ALA A 9 5.172 5.021 -14.231 1.00 0.00 O ATOM 87 CB ALA A 9 7.729 5.554 -16.169 1.00 0.00 C ATOM 0 H ALA A 9 8.468 3.124 -15.823 1.00 0.00 H new ATOM 0 HA ALA A 9 7.680 5.320 -14.043 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.086 6.434 -16.170 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.773 5.868 -16.170 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.529 4.957 -17.059 1.00 0.00 H new ATOM 93 N ALA A 10 5.628 3.238 -15.525 1.00 0.00 N ATOM 94 CA ALA A 10 4.251 2.761 -15.543 1.00 0.00 C ATOM 95 C ALA A 10 4.078 1.546 -14.638 1.00 0.00 C ATOM 96 O ALA A 10 3.143 0.763 -14.806 1.00 0.00 O ATOM 97 CB ALA A 10 3.827 2.427 -16.966 1.00 0.00 C ATOM 0 H ALA A 10 6.281 2.662 -16.056 1.00 0.00 H new ATOM 0 HA ALA A 10 3.612 3.558 -15.162 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.796 2.072 -16.965 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.903 3.320 -17.587 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.478 1.650 -17.367 1.00 0.00 H new ATOM 103 N SER A 11 4.985 1.395 -13.679 1.00 0.00 N ATOM 104 CA SER A 11 4.935 0.272 -12.750 1.00 0.00 C ATOM 105 C SER A 11 4.572 0.744 -11.346 1.00 0.00 C ATOM 106 O SER A 11 4.637 1.937 -11.043 1.00 0.00 O ATOM 107 CB SER A 11 6.281 -0.456 -12.724 1.00 0.00 C ATOM 108 OG SER A 11 6.735 -0.737 -14.036 1.00 0.00 O ATOM 0 H SER A 11 5.763 2.036 -13.525 1.00 0.00 H new ATOM 0 HA SER A 11 4.164 -0.417 -13.093 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.018 0.155 -12.204 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.184 -1.385 -12.163 1.00 0.00 H new ATOM 0 HG SER A 11 7.597 -1.201 -13.992 1.00 0.00 H new ATOM 114 N LEU A 12 4.189 -0.199 -10.492 1.00 0.00 N ATOM 115 CA LEU A 12 3.815 0.120 -9.118 1.00 0.00 C ATOM 116 C LEU A 12 4.573 -0.760 -8.130 1.00 0.00 C ATOM 117 O LEU A 12 4.988 -1.870 -8.463 1.00 0.00 O ATOM 118 CB LEU A 12 2.308 -0.059 -8.925 1.00 0.00 C ATOM 119 CG LEU A 12 1.410 0.797 -9.820 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.034 0.164 -9.957 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.297 2.210 -9.266 1.00 0.00 C ATOM 0 H LEU A 12 4.129 -1.190 -10.726 1.00 0.00 H new ATOM 0 HA LEU A 12 4.079 1.160 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.062 -1.107 -9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.066 0.161 -7.885 1.00 0.00 H new ATOM 0 HG LEU A 12 1.862 0.852 -10.810 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.591 0.787 -10.597 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.132 -0.827 -10.399 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.427 0.078 -8.973 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.655 2.805 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.868 2.175 -8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.287 2.663 -9.221 1.00 0.00 H new ATOM 133 N TRP A 13 4.749 -0.257 -6.913 1.00 0.00 N ATOM 134 CA TRP A 13 5.456 -0.998 -5.875 1.00 0.00 C ATOM 135 C TRP A 13 4.483 -1.810 -5.027 1.00 0.00 C ATOM 136 O TRP A 13 3.447 -1.303 -4.600 1.00 0.00 O ATOM 137 CB TRP A 13 6.250 -0.040 -4.986 1.00 0.00 C ATOM 138 CG TRP A 13 6.667 -0.648 -3.681 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.889 -1.176 -3.376 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.861 -0.791 -2.506 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.891 -1.640 -2.083 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.660 -1.414 -1.527 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.544 -0.451 -2.185 1.00 0.00 C ATOM 144 CZ2 TRP A 13 6.182 -1.705 -0.252 1.00 0.00 C ATOM 145 CZ3 TRP A 13 4.072 -0.741 -0.919 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.889 -1.361 0.035 1.00 0.00 C ATOM 0 H TRP A 13 4.412 0.660 -6.621 1.00 0.00 H new ATOM 0 HA TRP A 13 6.147 -1.687 -6.362 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.138 0.292 -5.524 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.647 0.846 -4.789 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.730 -1.222 -4.052 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.681 -2.081 -1.613 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.907 0.029 -2.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.809 -2.185 0.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.055 -0.485 -0.661 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.491 -1.572 1.016 1.00 0.00 H new ATOM 157 N MET A 14 4.824 -3.072 -4.787 1.00 0.00 N ATOM 158 CA MET A 14 3.980 -3.953 -3.989 1.00 0.00 C ATOM 159 C MET A 14 4.803 -4.688 -2.936 1.00 0.00 C ATOM 160 O MET A 14 5.458 -5.687 -3.233 1.00 0.00 O ATOM 161 CB MET A 14 3.262 -4.961 -4.888 1.00 0.00 C ATOM 162 CG MET A 14 2.275 -5.845 -4.144 1.00 0.00 C ATOM 163 SD MET A 14 1.472 -7.048 -5.220 1.00 0.00 S ATOM 164 CE MET A 14 -0.082 -7.286 -4.362 1.00 0.00 C ATOM 0 H MET A 14 5.679 -3.507 -5.134 1.00 0.00 H new ATOM 0 HA MET A 14 3.237 -3.339 -3.480 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.733 -4.422 -5.674 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.004 -5.592 -5.378 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.796 -6.370 -3.343 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.516 -5.220 -3.674 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.662 -8.058 -4.867 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.113 -7.593 -3.334 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.644 -6.352 -4.361 1.00 0.00 H new ATOM 174 N GLY A 15 4.766 -4.187 -1.705 1.00 0.00 N ATOM 175 CA GLY A 15 5.514 -4.810 -0.628 1.00 0.00 C ATOM 176 C GLY A 15 4.631 -5.627 0.294 1.00 0.00 C ATOM 177 O GLY A 15 3.573 -6.108 -0.114 1.00 0.00 O ATOM 0 H GLY A 15 4.232 -3.361 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.286 -5.453 -1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.023 -4.039 -0.050 1.00 0.00 H new ATOM 181 N ASP A 16 5.066 -5.786 1.539 1.00 0.00 N ATOM 182 CA ASP A 16 4.308 -6.552 2.522 1.00 0.00 C ATOM 183 C ASP A 16 3.872 -7.895 1.945 1.00 0.00 C ATOM 184 O ASP A 16 2.830 -8.435 2.319 1.00 0.00 O ATOM 185 CB ASP A 16 3.083 -5.759 2.982 1.00 0.00 C ATOM 186 CG ASP A 16 3.378 -4.886 4.186 1.00 0.00 C ATOM 187 OD1 ASP A 16 4.278 -4.025 4.089 1.00 0.00 O ATOM 188 OD2 ASP A 16 2.708 -5.063 5.225 1.00 0.00 O ATOM 0 H ASP A 16 5.939 -5.395 1.892 1.00 0.00 H new ATOM 0 HA ASP A 16 4.955 -6.738 3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.729 -5.134 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.277 -6.451 3.227 1.00 0.00 H new ATOM 193 N LEU A 17 4.676 -8.430 1.033 1.00 0.00 N ATOM 194 CA LEU A 17 4.374 -9.711 0.404 1.00 0.00 C ATOM 195 C LEU A 17 4.850 -10.871 1.273 1.00 0.00 C ATOM 196 O LEU A 17 5.692 -10.694 2.152 1.00 0.00 O ATOM 197 CB LEU A 17 5.029 -9.791 -0.976 1.00 0.00 C ATOM 198 CG LEU A 17 4.756 -8.618 -1.918 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.591 -8.742 -3.182 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.275 -8.542 -2.260 1.00 0.00 C ATOM 0 H LEU A 17 5.542 -7.997 0.713 1.00 0.00 H new ATOM 0 HA LEU A 17 3.292 -9.786 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.107 -9.878 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.694 -10.707 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 17 5.039 -7.696 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.383 -7.898 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.649 -8.746 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.341 -9.671 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.099 -7.701 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.966 -9.467 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.697 -8.404 -1.346 1.00 0.00 H new ATOM 212 N GLU A 18 4.306 -12.057 1.019 1.00 0.00 N ATOM 213 CA GLU A 18 4.676 -13.245 1.777 1.00 0.00 C ATOM 214 C GLU A 18 5.882 -13.938 1.149 1.00 0.00 C ATOM 215 O GLU A 18 6.183 -13.765 -0.032 1.00 0.00 O ATOM 216 CB GLU A 18 3.497 -14.218 1.853 1.00 0.00 C ATOM 217 CG GLU A 18 2.487 -13.866 2.932 1.00 0.00 C ATOM 218 CD GLU A 18 2.836 -14.470 4.278 1.00 0.00 C ATOM 219 OE1 GLU A 18 3.085 -15.693 4.332 1.00 0.00 O ATOM 220 OE2 GLU A 18 2.861 -13.722 5.277 1.00 0.00 O ATOM 0 H GLU A 18 3.607 -12.220 0.294 1.00 0.00 H new ATOM 0 HA GLU A 18 4.944 -12.931 2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.992 -14.240 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.877 -15.223 2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.428 -12.782 3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.500 -14.213 2.627 1.00 0.00 H new ATOM 227 N PRO A 19 6.589 -14.743 1.956 1.00 0.00 N ATOM 228 CA PRO A 19 7.773 -15.478 1.501 1.00 0.00 C ATOM 229 C PRO A 19 7.421 -16.600 0.530 1.00 0.00 C ATOM 230 O PRO A 19 8.294 -17.346 0.086 1.00 0.00 O ATOM 231 CB PRO A 19 8.352 -16.054 2.796 1.00 0.00 C ATOM 232 CG PRO A 19 7.188 -16.149 3.722 1.00 0.00 C ATOM 233 CD PRO A 19 6.287 -14.996 3.375 1.00 0.00 C ATOM 0 HA PRO A 19 8.466 -14.837 0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.804 -17.031 2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.130 -15.409 3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.669 -17.100 3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.511 -16.093 4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.237 -15.248 3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.496 -14.122 3.992 1.00 0.00 H new ATOM 241 N TYR A 20 6.138 -16.713 0.205 1.00 0.00 N ATOM 242 CA TYR A 20 5.671 -17.745 -0.713 1.00 0.00 C ATOM 243 C TYR A 20 4.899 -17.131 -1.877 1.00 0.00 C ATOM 244 O TYR A 20 4.006 -17.760 -2.444 1.00 0.00 O ATOM 245 CB TYR A 20 4.786 -18.751 0.026 1.00 0.00 C ATOM 246 CG TYR A 20 3.316 -18.400 -0.002 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.889 -17.095 0.211 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.353 -19.373 -0.241 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.547 -16.769 0.187 1.00 0.00 C ATOM 250 CE2 TYR A 20 1.009 -19.056 -0.268 1.00 0.00 C ATOM 251 CZ TYR A 20 0.611 -17.753 -0.053 1.00 0.00 C ATOM 252 OH TYR A 20 -0.727 -17.433 -0.078 1.00 0.00 O ATOM 0 H TYR A 20 5.403 -16.103 0.563 1.00 0.00 H new ATOM 0 HA TYR A 20 6.544 -18.262 -1.112 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.924 -19.737 -0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.115 -18.818 1.063 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.619 -16.322 0.399 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.661 -20.395 -0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.233 -15.750 0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.274 -19.824 -0.456 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.947 -17.014 -0.936 1.00 0.00 H new ATOM 262 N MET A 21 5.251 -15.898 -2.227 1.00 0.00 N ATOM 263 CA MET A 21 4.593 -15.199 -3.324 1.00 0.00 C ATOM 264 C MET A 21 5.468 -15.204 -4.574 1.00 0.00 C ATOM 265 O MET A 21 6.649 -14.862 -4.518 1.00 0.00 O ATOM 266 CB MET A 21 4.272 -13.759 -2.919 1.00 0.00 C ATOM 267 CG MET A 21 3.276 -13.657 -1.776 1.00 0.00 C ATOM 268 SD MET A 21 2.315 -12.132 -1.824 1.00 0.00 S ATOM 269 CE MET A 21 0.767 -12.684 -1.114 1.00 0.00 C ATOM 0 H MET A 21 5.988 -15.363 -1.767 1.00 0.00 H new ATOM 0 HA MET A 21 3.664 -15.722 -3.550 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.196 -13.257 -2.631 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.876 -13.227 -3.784 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.598 -14.510 -1.813 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.810 -13.715 -0.828 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.057 -12.391 -1.765 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.780 -13.769 -1.011 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.634 -12.228 -0.133 1.00 0.00 H new ATOM 279 N ASP A 22 4.880 -15.595 -5.700 1.00 0.00 N ATOM 280 CA ASP A 22 5.606 -15.645 -6.964 1.00 0.00 C ATOM 281 C ASP A 22 4.814 -14.957 -8.072 1.00 0.00 C ATOM 282 O ASP A 22 3.615 -14.719 -7.934 1.00 0.00 O ATOM 283 CB ASP A 22 5.897 -17.095 -7.353 1.00 0.00 C ATOM 284 CG ASP A 22 6.254 -17.954 -6.156 1.00 0.00 C ATOM 285 OD1 ASP A 22 5.326 -18.445 -5.480 1.00 0.00 O ATOM 286 OD2 ASP A 22 7.462 -18.136 -5.896 1.00 0.00 O ATOM 0 H ASP A 22 3.903 -15.882 -5.763 1.00 0.00 H new ATOM 0 HA ASP A 22 6.550 -15.116 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.024 -17.517 -7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.717 -17.118 -8.071 1.00 0.00 H new ATOM 291 N GLU A 23 5.495 -14.639 -9.169 1.00 0.00 N ATOM 292 CA GLU A 23 4.855 -13.977 -10.299 1.00 0.00 C ATOM 293 C GLU A 23 3.448 -14.523 -10.525 1.00 0.00 C ATOM 294 O GLU A 23 2.475 -13.771 -10.550 1.00 0.00 O ATOM 295 CB GLU A 23 5.693 -14.157 -11.566 1.00 0.00 C ATOM 296 CG GLU A 23 7.056 -13.488 -11.495 1.00 0.00 C ATOM 297 CD GLU A 23 8.069 -14.129 -12.423 1.00 0.00 C ATOM 298 OE1 GLU A 23 7.667 -14.595 -13.510 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.264 -14.164 -12.063 1.00 0.00 O ATOM 0 H GLU A 23 6.489 -14.829 -9.299 1.00 0.00 H new ATOM 0 HA GLU A 23 4.781 -12.914 -10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.830 -15.222 -11.753 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.143 -13.753 -12.416 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.953 -12.433 -11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.427 -13.534 -10.471 1.00 0.00 H new ATOM 306 N ASN A 24 3.350 -15.838 -10.689 1.00 0.00 N ATOM 307 CA ASN A 24 2.063 -16.487 -10.914 1.00 0.00 C ATOM 308 C ASN A 24 1.039 -16.039 -9.875 1.00 0.00 C ATOM 309 O ASN A 24 -0.108 -15.741 -10.207 1.00 0.00 O ATOM 310 CB ASN A 24 2.220 -18.008 -10.868 1.00 0.00 C ATOM 311 CG ASN A 24 2.545 -18.597 -12.227 1.00 0.00 C ATOM 312 OD1 ASN A 24 2.186 -18.034 -13.262 1.00 0.00 O ATOM 313 ND2 ASN A 24 3.227 -19.736 -12.231 1.00 0.00 N ATOM 0 H ASN A 24 4.146 -16.475 -10.670 1.00 0.00 H new ATOM 0 HA ASN A 24 1.705 -16.195 -11.901 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.011 -18.268 -10.164 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.299 -18.454 -10.492 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.474 -20.179 -13.116 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.504 -20.168 -11.349 1.00 0.00 H new ATOM 320 N PHE A 25 1.463 -15.992 -8.617 1.00 0.00 N ATOM 321 CA PHE A 25 0.583 -15.580 -7.529 1.00 0.00 C ATOM 322 C PHE A 25 0.254 -14.094 -7.628 1.00 0.00 C ATOM 323 O PHE A 25 -0.900 -13.715 -7.827 1.00 0.00 O ATOM 324 CB PHE A 25 1.234 -15.881 -6.177 1.00 0.00 C ATOM 325 CG PHE A 25 0.335 -15.608 -5.005 1.00 0.00 C ATOM 326 CD1 PHE A 25 0.034 -14.308 -4.633 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.208 -16.652 -4.274 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.793 -14.053 -3.556 1.00 0.00 C ATOM 329 CE2 PHE A 25 -1.037 -16.404 -3.196 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.328 -15.103 -2.836 1.00 0.00 C ATOM 0 H PHE A 25 2.410 -16.234 -8.325 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.345 -16.145 -7.612 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.539 -16.927 -6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.139 -15.282 -6.077 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.451 -13.483 -5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.019 -17.671 -4.549 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.021 -13.035 -3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.457 -17.227 -2.636 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.973 -14.907 -1.992 1.00 0.00 H new ATOM 340 N ILE A 26 1.277 -13.257 -7.488 1.00 0.00 N ATOM 341 CA ILE A 26 1.097 -11.812 -7.563 1.00 0.00 C ATOM 342 C ILE A 26 0.175 -11.432 -8.716 1.00 0.00 C ATOM 343 O ILE A 26 -0.789 -10.688 -8.534 1.00 0.00 O ATOM 344 CB ILE A 26 2.444 -11.086 -7.736 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.377 -11.410 -6.568 1.00 0.00 C ATOM 346 CG2 ILE A 26 2.225 -9.584 -7.845 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.832 -10.983 -5.223 1.00 0.00 C ATOM 0 H ILE A 26 2.238 -13.554 -7.322 1.00 0.00 H new ATOM 0 HA ILE A 26 0.644 -11.501 -6.622 1.00 0.00 H new ATOM 0 HB ILE A 26 2.912 -11.434 -8.657 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.565 -12.484 -6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.337 -10.921 -6.734 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.186 -9.084 -7.967 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.593 -9.370 -8.707 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.739 -9.220 -6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.546 -11.244 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.670 -9.905 -5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.886 -11.492 -5.035 1.00 0.00 H new ATOM 359 N SER A 27 0.476 -11.949 -9.903 1.00 0.00 N ATOM 360 CA SER A 27 -0.324 -11.662 -11.087 1.00 0.00 C ATOM 361 C SER A 27 -1.781 -12.056 -10.866 1.00 0.00 C ATOM 362 O SER A 27 -2.697 -11.314 -11.220 1.00 0.00 O ATOM 363 CB SER A 27 0.238 -12.404 -12.301 1.00 0.00 C ATOM 364 OG SER A 27 1.589 -12.047 -12.536 1.00 0.00 O ATOM 0 H SER A 27 1.269 -12.569 -10.070 1.00 0.00 H new ATOM 0 HA SER A 27 -0.280 -10.589 -11.274 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.166 -13.480 -12.139 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.361 -12.173 -13.182 1.00 0.00 H new ATOM 0 HG SER A 27 2.178 -12.654 -12.041 1.00 0.00 H new ATOM 370 N ARG A 28 -1.988 -13.231 -10.279 1.00 0.00 N ATOM 371 CA ARG A 28 -3.333 -13.726 -10.012 1.00 0.00 C ATOM 372 C ARG A 28 -4.112 -12.740 -9.145 1.00 0.00 C ATOM 373 O ARG A 28 -5.290 -12.482 -9.389 1.00 0.00 O ATOM 374 CB ARG A 28 -3.269 -15.089 -9.321 1.00 0.00 C ATOM 375 CG ARG A 28 -3.199 -16.259 -10.289 1.00 0.00 C ATOM 376 CD ARG A 28 -3.826 -17.511 -9.696 1.00 0.00 C ATOM 377 NE ARG A 28 -2.910 -18.208 -8.796 1.00 0.00 N ATOM 378 CZ ARG A 28 -1.776 -18.773 -9.195 1.00 0.00 C ATOM 379 NH1 ARG A 28 -1.420 -18.723 -10.471 1.00 0.00 N ATOM 380 NH2 ARG A 28 -0.995 -19.389 -8.316 1.00 0.00 N ATOM 0 H ARG A 28 -1.241 -13.858 -9.979 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.851 -13.833 -10.965 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.396 -15.116 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.146 -15.206 -8.685 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.711 -15.998 -11.215 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.159 -16.458 -10.546 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.732 -17.241 -9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.125 -18.183 -10.501 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.155 -18.264 -7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.017 -18.250 -11.149 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.549 -19.158 -10.775 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.266 -19.429 -7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.124 -19.823 -8.623 1.00 0.00 H new ATOM 394 N ALA A 29 -3.446 -12.194 -8.134 1.00 0.00 N ATOM 395 CA ALA A 29 -4.075 -11.237 -7.232 1.00 0.00 C ATOM 396 C ALA A 29 -4.736 -10.104 -8.010 1.00 0.00 C ATOM 397 O ALA A 29 -5.941 -9.879 -7.894 1.00 0.00 O ATOM 398 CB ALA A 29 -3.051 -10.681 -6.254 1.00 0.00 C ATOM 0 H ALA A 29 -2.470 -12.398 -7.918 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.850 -11.759 -6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.535 -9.968 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.627 -11.497 -5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.256 -10.180 -6.806 1.00 0.00 H new ATOM 404 N PHE A 30 -3.941 -9.392 -8.801 1.00 0.00 N ATOM 405 CA PHE A 30 -4.449 -8.281 -9.597 1.00 0.00 C ATOM 406 C PHE A 30 -5.616 -8.728 -10.472 1.00 0.00 C ATOM 407 O PHE A 30 -6.707 -8.161 -10.407 1.00 0.00 O ATOM 408 CB PHE A 30 -3.335 -7.700 -10.470 1.00 0.00 C ATOM 409 CG PHE A 30 -2.355 -6.854 -9.708 1.00 0.00 C ATOM 410 CD1 PHE A 30 -1.302 -7.438 -9.023 1.00 0.00 C ATOM 411 CD2 PHE A 30 -2.487 -5.475 -9.677 1.00 0.00 C ATOM 412 CE1 PHE A 30 -0.398 -6.663 -8.321 1.00 0.00 C ATOM 413 CE2 PHE A 30 -1.586 -4.695 -8.978 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.541 -5.290 -8.298 1.00 0.00 C ATOM 0 H PHE A 30 -2.941 -9.565 -8.908 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.805 -7.510 -8.914 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.799 -8.517 -10.952 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.781 -7.100 -11.263 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.186 -8.512 -9.038 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.303 -5.005 -10.205 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.419 -7.131 -7.791 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.699 -3.621 -8.963 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.163 -4.682 -7.749 1.00 0.00 H new ATOM 424 N ALA A 31 -5.378 -9.747 -11.290 1.00 0.00 N ATOM 425 CA ALA A 31 -6.409 -10.272 -12.177 1.00 0.00 C ATOM 426 C ALA A 31 -7.720 -10.486 -11.429 1.00 0.00 C ATOM 427 O ALA A 31 -8.788 -10.094 -11.901 1.00 0.00 O ATOM 428 CB ALA A 31 -5.945 -11.573 -12.815 1.00 0.00 C ATOM 0 H ALA A 31 -4.480 -10.226 -11.357 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.585 -9.537 -12.963 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.725 -11.953 -13.475 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.038 -11.392 -13.392 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.739 -12.307 -12.036 1.00 0.00 H new ATOM 434 N THR A 32 -7.633 -11.112 -10.259 1.00 0.00 N ATOM 435 CA THR A 32 -8.813 -11.380 -9.446 1.00 0.00 C ATOM 436 C THR A 32 -9.574 -10.095 -9.140 1.00 0.00 C ATOM 437 O THR A 32 -10.802 -10.060 -9.202 1.00 0.00 O ATOM 438 CB THR A 32 -8.437 -12.070 -8.121 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.809 -13.329 -8.385 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.669 -12.283 -7.254 1.00 0.00 C ATOM 0 H THR A 32 -6.757 -11.443 -9.853 1.00 0.00 H new ATOM 0 HA THR A 32 -9.451 -12.047 -10.026 1.00 0.00 H new ATOM 0 HB THR A 32 -7.742 -11.424 -7.585 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.911 -13.177 -8.746 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.379 -12.772 -6.324 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.128 -11.320 -7.030 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.384 -12.910 -7.786 1.00 0.00 H new ATOM 448 N MET A 33 -8.835 -9.041 -8.809 1.00 0.00 N ATOM 449 CA MET A 33 -9.441 -7.752 -8.494 1.00 0.00 C ATOM 450 C MET A 33 -9.973 -7.079 -9.756 1.00 0.00 C ATOM 451 O MET A 33 -10.543 -5.990 -9.697 1.00 0.00 O ATOM 452 CB MET A 33 -8.424 -6.840 -7.806 1.00 0.00 C ATOM 453 CG MET A 33 -8.239 -7.143 -6.328 1.00 0.00 C ATOM 454 SD MET A 33 -9.758 -6.928 -5.380 1.00 0.00 S ATOM 455 CE MET A 33 -9.279 -5.608 -4.268 1.00 0.00 C ATOM 0 H MET A 33 -7.817 -9.054 -8.752 1.00 0.00 H new ATOM 0 HA MET A 33 -10.277 -7.928 -7.817 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.463 -6.935 -8.311 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.742 -5.804 -7.919 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.885 -8.167 -6.213 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.466 -6.491 -5.921 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.095 -4.891 -4.181 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.055 -6.023 -3.285 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.395 -5.105 -4.660 1.00 0.00 H new ATOM 465 N GLY A 34 -9.783 -7.735 -10.897 1.00 0.00 N ATOM 466 CA GLY A 34 -10.249 -7.184 -12.156 1.00 0.00 C ATOM 467 C GLY A 34 -9.238 -6.249 -12.789 1.00 0.00 C ATOM 468 O GLY A 34 -9.608 -5.239 -13.387 1.00 0.00 O ATOM 0 H GLY A 34 -9.315 -8.638 -10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.468 -7.998 -12.847 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.183 -6.646 -11.990 1.00 0.00 H new ATOM 472 N GLU A 35 -7.959 -6.584 -12.655 1.00 0.00 N ATOM 473 CA GLU A 35 -6.892 -5.764 -13.217 1.00 0.00 C ATOM 474 C GLU A 35 -5.955 -6.605 -14.079 1.00 0.00 C ATOM 475 O GLU A 35 -5.585 -7.719 -13.709 1.00 0.00 O ATOM 476 CB GLU A 35 -6.099 -5.082 -12.099 1.00 0.00 C ATOM 477 CG GLU A 35 -6.686 -3.750 -11.662 1.00 0.00 C ATOM 478 CD GLU A 35 -7.112 -2.888 -12.834 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.474 -2.981 -13.903 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.085 -2.120 -12.681 1.00 0.00 O ATOM 0 H GLU A 35 -7.636 -7.417 -12.163 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.350 -5.001 -13.846 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.053 -5.749 -11.238 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.074 -4.925 -12.435 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.546 -3.930 -11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.949 -3.210 -11.067 1.00 0.00 H new ATOM 487 N THR A 36 -5.576 -6.063 -15.233 1.00 0.00 N ATOM 488 CA THR A 36 -4.685 -6.763 -16.150 1.00 0.00 C ATOM 489 C THR A 36 -3.236 -6.342 -15.937 1.00 0.00 C ATOM 490 O THR A 36 -2.810 -5.287 -16.408 1.00 0.00 O ATOM 491 CB THR A 36 -5.073 -6.504 -17.618 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.467 -6.770 -17.810 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.252 -7.375 -18.556 1.00 0.00 C ATOM 0 H THR A 36 -5.873 -5.141 -15.554 1.00 0.00 H new ATOM 0 HA THR A 36 -4.786 -7.827 -15.938 1.00 0.00 H new ATOM 0 HB THR A 36 -4.868 -5.458 -17.846 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.706 -6.601 -18.745 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.544 -7.175 -19.587 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.193 -7.150 -18.428 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.430 -8.426 -18.326 1.00 0.00 H new ATOM 501 N VAL A 37 -2.481 -7.173 -15.225 1.00 0.00 N ATOM 502 CA VAL A 37 -1.078 -6.887 -14.951 1.00 0.00 C ATOM 503 C VAL A 37 -0.206 -7.206 -16.160 1.00 0.00 C ATOM 504 O VAL A 37 -0.385 -8.234 -16.812 1.00 0.00 O ATOM 505 CB VAL A 37 -0.568 -7.687 -13.738 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.347 -9.144 -14.114 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.710 -7.069 -13.191 1.00 0.00 C ATOM 0 H VAL A 37 -2.818 -8.050 -14.828 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.010 -5.822 -14.728 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.326 -7.650 -12.956 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.013 -9.694 -13.244 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.287 -9.579 -14.454 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.391 -9.205 -14.914 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.056 -7.647 -12.334 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.477 -7.074 -13.966 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.514 -6.043 -12.881 1.00 0.00 H new ATOM 517 N MET A 38 0.738 -6.319 -16.453 1.00 0.00 N ATOM 518 CA MET A 38 1.640 -6.507 -17.583 1.00 0.00 C ATOM 519 C MET A 38 2.749 -7.496 -17.235 1.00 0.00 C ATOM 520 O MET A 38 2.954 -8.485 -17.938 1.00 0.00 O ATOM 521 CB MET A 38 2.249 -5.169 -18.007 1.00 0.00 C ATOM 522 CG MET A 38 1.263 -4.247 -18.706 1.00 0.00 C ATOM 523 SD MET A 38 0.662 -4.927 -20.264 1.00 0.00 S ATOM 524 CE MET A 38 -1.106 -4.726 -20.062 1.00 0.00 C ATOM 0 H MET A 38 0.899 -5.462 -15.923 1.00 0.00 H new ATOM 0 HA MET A 38 1.062 -6.913 -18.413 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.645 -4.664 -17.126 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.092 -5.357 -18.672 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.417 -4.059 -18.046 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.741 -3.286 -18.894 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.618 -5.102 -20.947 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.438 -5.284 -19.186 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.339 -3.670 -19.929 1.00 0.00 H new ATOM 534 N SER A 39 3.461 -7.221 -16.147 1.00 0.00 N ATOM 535 CA SER A 39 4.551 -8.084 -15.708 1.00 0.00 C ATOM 536 C SER A 39 4.800 -7.927 -14.211 1.00 0.00 C ATOM 537 O SER A 39 4.344 -6.966 -13.592 1.00 0.00 O ATOM 538 CB SER A 39 5.829 -7.761 -16.485 1.00 0.00 C ATOM 539 OG SER A 39 6.647 -8.911 -16.622 1.00 0.00 O ATOM 0 H SER A 39 3.302 -6.407 -15.553 1.00 0.00 H new ATOM 0 HA SER A 39 4.265 -9.117 -15.905 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.571 -7.375 -17.471 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.383 -6.976 -15.970 1.00 0.00 H new ATOM 0 HG SER A 39 7.456 -8.679 -17.123 1.00 0.00 H new ATOM 545 N VAL A 40 5.526 -8.880 -13.635 1.00 0.00 N ATOM 546 CA VAL A 40 5.837 -8.848 -12.211 1.00 0.00 C ATOM 547 C VAL A 40 7.242 -9.377 -11.944 1.00 0.00 C ATOM 548 O VAL A 40 7.659 -10.383 -12.519 1.00 0.00 O ATOM 549 CB VAL A 40 4.825 -9.676 -11.398 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.468 -10.958 -12.135 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.379 -9.984 -10.015 1.00 0.00 C ATOM 0 H VAL A 40 5.910 -9.683 -14.133 1.00 0.00 H new ATOM 0 HA VAL A 40 5.779 -7.806 -11.897 1.00 0.00 H new ATOM 0 HB VAL A 40 3.915 -9.089 -11.278 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.752 -11.530 -11.545 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.027 -10.712 -13.101 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.369 -11.553 -12.288 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.651 -10.570 -9.454 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.304 -10.552 -10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.579 -9.052 -9.487 1.00 0.00 H new ATOM 561 N LYS A 41 7.968 -8.694 -11.066 1.00 0.00 N ATOM 562 CA LYS A 41 9.326 -9.095 -10.719 1.00 0.00 C ATOM 563 C LYS A 41 9.497 -9.188 -9.206 1.00 0.00 C ATOM 564 O LYS A 41 9.360 -8.192 -8.494 1.00 0.00 O ATOM 565 CB LYS A 41 10.337 -8.101 -11.296 1.00 0.00 C ATOM 566 CG LYS A 41 11.686 -8.720 -11.614 1.00 0.00 C ATOM 567 CD LYS A 41 12.760 -7.659 -11.786 1.00 0.00 C ATOM 568 CE LYS A 41 14.154 -8.245 -11.622 1.00 0.00 C ATOM 569 NZ LYS A 41 14.680 -8.793 -12.903 1.00 0.00 N ATOM 0 H LYS A 41 7.638 -7.859 -10.581 1.00 0.00 H new ATOM 0 HA LYS A 41 9.507 -10.080 -11.149 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.925 -7.663 -12.205 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.479 -7.287 -10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.972 -9.402 -10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.610 -9.313 -12.526 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.669 -7.204 -12.772 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.609 -6.865 -11.054 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.830 -7.475 -11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.130 -9.035 -10.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.632 -9.183 -12.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.048 -9.546 -13.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.728 -8.034 -13.612 1.00 0.00 H new ATOM 583 N ILE A 42 9.796 -10.388 -8.721 1.00 0.00 N ATOM 584 CA ILE A 42 9.987 -10.610 -7.293 1.00 0.00 C ATOM 585 C ILE A 42 11.446 -10.412 -6.897 1.00 0.00 C ATOM 586 O ILE A 42 12.340 -11.067 -7.434 1.00 0.00 O ATOM 587 CB ILE A 42 9.541 -12.024 -6.878 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.203 -12.373 -7.533 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.437 -12.123 -5.364 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.024 -11.651 -6.921 1.00 0.00 C ATOM 0 H ILE A 42 9.911 -11.222 -9.296 1.00 0.00 H new ATOM 0 HA ILE A 42 9.369 -9.877 -6.774 1.00 0.00 H new ATOM 0 HB ILE A 42 10.289 -12.740 -7.219 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.254 -12.133 -8.595 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.040 -13.448 -7.457 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.121 -13.128 -5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.409 -11.912 -4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.707 -11.400 -5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.109 -11.947 -7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.947 -11.910 -5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.165 -10.575 -7.021 1.00 0.00 H new ATOM 602 N ILE A 43 11.680 -9.506 -5.953 1.00 0.00 N ATOM 603 CA ILE A 43 13.030 -9.225 -5.483 1.00 0.00 C ATOM 604 C ILE A 43 13.481 -10.257 -4.455 1.00 0.00 C ATOM 605 O ILE A 43 12.984 -10.285 -3.329 1.00 0.00 O ATOM 606 CB ILE A 43 13.128 -7.820 -4.860 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.646 -6.762 -5.855 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.556 -7.532 -4.423 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.192 -6.954 -7.252 1.00 0.00 C ATOM 0 H ILE A 43 10.952 -8.954 -5.499 1.00 0.00 H new ATOM 0 HA ILE A 43 13.683 -9.274 -6.354 1.00 0.00 H new ATOM 0 HB ILE A 43 12.486 -7.784 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.557 -6.780 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.935 -5.776 -5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.608 -6.535 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.866 -8.270 -3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.218 -7.584 -5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.809 -6.169 -7.904 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.281 -6.906 -7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.881 -7.926 -7.634 1.00 0.00 H new ATOM 621 N ARG A 44 14.426 -11.104 -4.850 1.00 0.00 N ATOM 622 CA ARG A 44 14.944 -12.138 -3.963 1.00 0.00 C ATOM 623 C ARG A 44 16.457 -12.013 -3.807 1.00 0.00 C ATOM 624 O ARG A 44 17.123 -11.371 -4.619 1.00 0.00 O ATOM 625 CB ARG A 44 14.589 -13.525 -4.500 1.00 0.00 C ATOM 626 CG ARG A 44 13.130 -13.668 -4.902 1.00 0.00 C ATOM 627 CD ARG A 44 12.746 -15.126 -5.096 1.00 0.00 C ATOM 628 NE ARG A 44 13.132 -15.623 -6.414 1.00 0.00 N ATOM 629 CZ ARG A 44 12.396 -15.459 -7.507 1.00 0.00 C ATOM 630 NH1 ARG A 44 11.239 -14.813 -7.440 1.00 0.00 N ATOM 631 NH2 ARG A 44 12.815 -15.940 -8.670 1.00 0.00 N ATOM 0 H ARG A 44 14.848 -11.094 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 44 14.483 -12.006 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.218 -13.743 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.822 -14.270 -3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.495 -13.222 -4.136 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.950 -13.117 -5.825 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.223 -15.732 -4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.669 -15.237 -4.968 1.00 0.00 H new ATOM 0 HE ARG A 44 14.016 -16.124 -6.500 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.913 -14.441 -6.548 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.675 -14.688 -8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.704 -16.437 -8.726 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.248 -15.813 -9.508 1.00 0.00 H new ATOM 645 N ASN A 45 16.992 -12.630 -2.759 1.00 0.00 N ATOM 646 CA ASN A 45 18.427 -12.587 -2.497 1.00 0.00 C ATOM 647 C ASN A 45 19.157 -13.666 -3.289 1.00 0.00 C ATOM 648 O ASN A 45 18.549 -14.634 -3.747 1.00 0.00 O ATOM 649 CB ASN A 45 18.698 -12.764 -1.002 1.00 0.00 C ATOM 650 CG ASN A 45 19.983 -12.089 -0.563 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.758 -11.607 -1.390 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.216 -12.052 0.744 1.00 0.00 N ATOM 0 H ASN A 45 16.455 -13.166 -2.077 1.00 0.00 H new ATOM 0 HA ASN A 45 18.801 -11.614 -2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.863 -12.354 -0.433 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.751 -13.827 -0.769 1.00 0.00 H new ATOM 0 HD21 ASN A 45 21.065 -11.611 1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 45 19.546 -12.464 1.393 1.00 0.00 H new ATOM 659 N ARG A 46 20.466 -13.494 -3.447 1.00 0.00 N ATOM 660 CA ARG A 46 21.279 -14.452 -4.184 1.00 0.00 C ATOM 661 C ARG A 46 21.943 -15.446 -3.235 1.00 0.00 C ATOM 662 O ARG A 46 22.473 -16.472 -3.664 1.00 0.00 O ATOM 663 CB ARG A 46 22.346 -13.724 -5.004 1.00 0.00 C ATOM 664 CG ARG A 46 23.267 -12.852 -4.167 1.00 0.00 C ATOM 665 CD ARG A 46 24.643 -12.723 -4.803 1.00 0.00 C ATOM 666 NE ARG A 46 24.714 -11.597 -5.730 1.00 0.00 N ATOM 667 CZ ARG A 46 25.753 -11.362 -6.524 1.00 0.00 C ATOM 668 NH1 ARG A 46 26.802 -12.172 -6.504 1.00 0.00 N ATOM 669 NH2 ARG A 46 25.743 -10.316 -7.340 1.00 0.00 N ATOM 0 H ARG A 46 20.985 -12.699 -3.074 1.00 0.00 H new ATOM 0 HA ARG A 46 20.624 -15.002 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.945 -14.460 -5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 46 21.855 -13.104 -5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.825 -11.863 -4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.365 -13.278 -3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 46 25.393 -12.597 -4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 46 24.885 -13.644 -5.333 1.00 0.00 H new ATOM 0 HE ARG A 46 23.922 -10.955 -5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 46 26.813 -12.977 -5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 46 27.599 -11.990 -7.114 1.00 0.00 H new ATOM 0 HH21 ARG A 46 24.937 -9.691 -7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 46 26.541 -10.137 -7.949 1.00 0.00 H new ATOM 683 N LEU A 47 21.910 -15.135 -1.944 1.00 0.00 N ATOM 684 CA LEU A 47 22.509 -16.000 -0.933 1.00 0.00 C ATOM 685 C LEU A 47 21.450 -16.873 -0.268 1.00 0.00 C ATOM 686 O LEU A 47 21.600 -18.092 -0.179 1.00 0.00 O ATOM 687 CB LEU A 47 23.231 -15.161 0.122 1.00 0.00 C ATOM 688 CG LEU A 47 24.692 -14.821 -0.175 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.155 -13.657 0.687 1.00 0.00 C ATOM 690 CD2 LEU A 47 25.578 -16.038 0.048 1.00 0.00 C ATOM 0 H LEU A 47 21.475 -14.291 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 47 23.231 -16.650 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.682 -14.229 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.189 -15.694 1.072 1.00 0.00 H new ATOM 0 HG LEU A 47 24.771 -14.525 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.197 -13.429 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 47 24.539 -12.782 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.061 -13.924 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 47 26.614 -15.778 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 47 25.494 -16.364 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.261 -16.845 -0.613 1.00 0.00 H new ATOM 702 N THR A 48 20.377 -16.241 0.198 1.00 0.00 N ATOM 703 CA THR A 48 19.292 -16.960 0.855 1.00 0.00 C ATOM 704 C THR A 48 18.210 -17.354 -0.144 1.00 0.00 C ATOM 705 O THR A 48 17.591 -18.410 -0.019 1.00 0.00 O ATOM 706 CB THR A 48 18.656 -16.116 1.975 1.00 0.00 C ATOM 707 OG1 THR A 48 17.995 -14.976 1.415 1.00 0.00 O ATOM 708 CG2 THR A 48 19.711 -15.658 2.972 1.00 0.00 C ATOM 0 H THR A 48 20.236 -15.233 0.133 1.00 0.00 H new ATOM 0 HA THR A 48 19.727 -17.860 1.290 1.00 0.00 H new ATOM 0 HB THR A 48 17.928 -16.736 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.592 -14.446 2.134 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.239 -15.064 3.754 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.192 -16.528 3.418 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.459 -15.054 2.459 1.00 0.00 H new ATOM 716 N GLY A 49 17.988 -16.499 -1.138 1.00 0.00 N ATOM 717 CA GLY A 49 16.980 -16.777 -2.144 1.00 0.00 C ATOM 718 C GLY A 49 15.597 -16.321 -1.722 1.00 0.00 C ATOM 719 O GLY A 49 14.651 -16.376 -2.509 1.00 0.00 O ATOM 0 H GLY A 49 18.488 -15.619 -1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.254 -16.281 -3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.960 -17.848 -2.347 1.00 0.00 H new ATOM 723 N ILE A 50 15.479 -15.870 -0.478 1.00 0.00 N ATOM 724 CA ILE A 50 14.202 -15.404 0.047 1.00 0.00 C ATOM 725 C ILE A 50 13.837 -14.039 -0.528 1.00 0.00 C ATOM 726 O ILE A 50 14.677 -13.149 -0.662 1.00 0.00 O ATOM 727 CB ILE A 50 14.224 -15.311 1.584 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.508 -16.685 2.195 1.00 0.00 C ATOM 729 CG2 ILE A 50 12.905 -14.758 2.101 1.00 0.00 C ATOM 730 CD1 ILE A 50 14.541 -16.678 3.707 1.00 0.00 C ATOM 0 H ILE A 50 16.252 -15.817 0.185 1.00 0.00 H new ATOM 0 HA ILE A 50 13.452 -16.136 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 50 15.021 -14.630 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 50 13.745 -17.388 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.464 -17.050 1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.937 -14.699 3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.741 -13.763 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.091 -15.416 1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.747 -17.685 4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.323 -16.001 4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.577 -16.344 4.090 1.00 0.00 H new ATOM 742 N PRO A 51 12.553 -13.868 -0.875 1.00 0.00 N ATOM 743 CA PRO A 51 12.046 -12.613 -1.439 1.00 0.00 C ATOM 744 C PRO A 51 12.021 -11.485 -0.414 1.00 0.00 C ATOM 745 O PRO A 51 11.346 -11.579 0.611 1.00 0.00 O ATOM 746 CB PRO A 51 10.623 -12.970 -1.876 1.00 0.00 C ATOM 747 CG PRO A 51 10.233 -14.111 -1.002 1.00 0.00 C ATOM 748 CD PRO A 51 11.496 -14.885 -0.744 1.00 0.00 C ATOM 0 HA PRO A 51 12.676 -12.246 -2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.946 -12.125 -1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.591 -13.249 -2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.795 -13.756 -0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.484 -14.737 -1.488 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.494 -15.337 0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.625 -15.694 -1.463 1.00 0.00 H new ATOM 756 N ALA A 52 12.762 -10.418 -0.696 1.00 0.00 N ATOM 757 CA ALA A 52 12.822 -9.271 0.200 1.00 0.00 C ATOM 758 C ALA A 52 11.464 -8.999 0.837 1.00 0.00 C ATOM 759 O ALA A 52 11.381 -8.498 1.958 1.00 0.00 O ATOM 760 CB ALA A 52 13.311 -8.040 -0.549 1.00 0.00 C ATOM 0 H ALA A 52 13.329 -10.325 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 52 13.528 -9.502 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.351 -7.191 0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.306 -8.230 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.627 -7.816 -1.367 1.00 0.00 H new ATOM 766 N GLY A 53 10.399 -9.334 0.115 1.00 0.00 N ATOM 767 CA GLY A 53 9.058 -9.118 0.626 1.00 0.00 C ATOM 768 C GLY A 53 8.270 -8.131 -0.213 1.00 0.00 C ATOM 769 O GLY A 53 7.194 -7.686 0.187 1.00 0.00 O ATOM 0 H GLY A 53 10.441 -9.751 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.527 -10.069 0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.118 -8.753 1.651 1.00 0.00 H new ATOM 773 N TYR A 54 8.806 -7.788 -1.379 1.00 0.00 N ATOM 774 CA TYR A 54 8.147 -6.845 -2.275 1.00 0.00 C ATOM 775 C TYR A 54 8.469 -7.162 -3.732 1.00 0.00 C ATOM 776 O TYR A 54 9.498 -7.767 -4.035 1.00 0.00 O ATOM 777 CB TYR A 54 8.575 -5.413 -1.946 1.00 0.00 C ATOM 778 CG TYR A 54 9.991 -5.093 -2.369 1.00 0.00 C ATOM 779 CD1 TYR A 54 11.065 -5.354 -1.526 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.256 -4.528 -3.610 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.360 -5.063 -1.907 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.548 -4.234 -4.000 1.00 0.00 C ATOM 783 CZ TYR A 54 12.597 -4.503 -3.146 1.00 0.00 C ATOM 784 OH TYR A 54 13.885 -4.211 -3.530 1.00 0.00 O ATOM 0 H TYR A 54 9.695 -8.149 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 54 7.070 -6.938 -2.131 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.893 -4.717 -2.434 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.480 -5.252 -0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.883 -5.792 -0.556 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.438 -4.315 -4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.183 -5.272 -1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.736 -3.796 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 54 13.878 -3.823 -4.430 1.00 0.00 H new ATOM 794 N CYS A 55 7.581 -6.749 -4.630 1.00 0.00 N ATOM 795 CA CYS A 55 7.769 -6.988 -6.057 1.00 0.00 C ATOM 796 C CYS A 55 7.292 -5.793 -6.876 1.00 0.00 C ATOM 797 O CYS A 55 6.528 -4.959 -6.390 1.00 0.00 O ATOM 798 CB CYS A 55 7.018 -8.249 -6.487 1.00 0.00 C ATOM 799 SG CYS A 55 5.226 -8.038 -6.601 1.00 0.00 S ATOM 0 H CYS A 55 6.724 -6.247 -4.396 1.00 0.00 H new ATOM 0 HA CYS A 55 8.834 -7.128 -6.240 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.397 -8.572 -7.456 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.235 -9.048 -5.778 1.00 0.00 H new ATOM 0 HG CYS A 55 4.639 -8.862 -5.785 1.00 0.00 H new ATOM 805 N PHE A 56 7.750 -5.716 -8.121 1.00 0.00 N ATOM 806 CA PHE A 56 7.372 -4.622 -9.008 1.00 0.00 C ATOM 807 C PHE A 56 6.393 -5.100 -10.076 1.00 0.00 C ATOM 808 O PHE A 56 6.571 -6.166 -10.665 1.00 0.00 O ATOM 809 CB PHE A 56 8.614 -4.022 -9.670 1.00 0.00 C ATOM 810 CG PHE A 56 9.496 -3.266 -8.718 1.00 0.00 C ATOM 811 CD1 PHE A 56 9.042 -2.111 -8.101 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.779 -3.709 -8.440 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.850 -1.413 -7.224 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.591 -3.016 -7.563 1.00 0.00 C ATOM 815 CZ PHE A 56 11.127 -1.866 -6.956 1.00 0.00 C ATOM 0 H PHE A 56 8.383 -6.398 -8.538 1.00 0.00 H new ATOM 0 HA PHE A 56 6.881 -3.855 -8.409 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.193 -4.823 -10.131 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.301 -3.353 -10.472 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.045 -1.752 -8.308 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.149 -4.606 -8.914 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.484 -0.515 -6.749 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.588 -3.374 -7.352 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.762 -1.321 -6.273 1.00 0.00 H new ATOM 825 N VAL A 57 5.357 -4.303 -10.320 1.00 0.00 N ATOM 826 CA VAL A 57 4.349 -4.643 -11.317 1.00 0.00 C ATOM 827 C VAL A 57 4.294 -3.595 -12.422 1.00 0.00 C ATOM 828 O VAL A 57 4.171 -2.400 -12.152 1.00 0.00 O ATOM 829 CB VAL A 57 2.953 -4.777 -10.680 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.682 -6.220 -10.285 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.825 -3.853 -9.479 1.00 0.00 C ATOM 0 H VAL A 57 5.194 -3.417 -9.841 1.00 0.00 H new ATOM 0 HA VAL A 57 4.638 -5.603 -11.745 1.00 0.00 H new ATOM 0 HB VAL A 57 2.206 -4.482 -11.417 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.691 -6.295 -9.837 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.729 -6.854 -11.170 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.432 -6.547 -9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.833 -3.961 -9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.579 -4.114 -8.737 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.971 -2.821 -9.797 1.00 0.00 H new ATOM 841 N GLU A 58 4.384 -4.050 -13.668 1.00 0.00 N ATOM 842 CA GLU A 58 4.344 -3.150 -14.815 1.00 0.00 C ATOM 843 C GLU A 58 2.918 -2.997 -15.336 1.00 0.00 C ATOM 844 O GLU A 58 2.078 -3.877 -15.148 1.00 0.00 O ATOM 845 CB GLU A 58 5.254 -3.669 -15.930 1.00 0.00 C ATOM 846 CG GLU A 58 5.643 -2.605 -16.942 1.00 0.00 C ATOM 847 CD GLU A 58 6.903 -2.960 -17.707 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.774 -3.644 -17.129 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.019 -2.555 -18.882 1.00 0.00 O ATOM 0 H GLU A 58 4.485 -5.036 -13.909 1.00 0.00 H new ATOM 0 HA GLU A 58 4.701 -2.172 -14.491 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.159 -4.084 -15.486 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.750 -4.485 -16.448 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.823 -2.462 -17.646 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.790 -1.656 -16.427 1.00 0.00 H new ATOM 856 N PHE A 59 2.652 -1.873 -15.993 1.00 0.00 N ATOM 857 CA PHE A 59 1.328 -1.602 -16.541 1.00 0.00 C ATOM 858 C PHE A 59 1.431 -0.850 -17.864 1.00 0.00 C ATOM 859 O PHE A 59 2.512 -0.414 -18.261 1.00 0.00 O ATOM 860 CB PHE A 59 0.496 -0.793 -15.544 1.00 0.00 C ATOM 861 CG PHE A 59 0.015 -1.598 -14.372 1.00 0.00 C ATOM 862 CD1 PHE A 59 0.829 -1.794 -13.268 1.00 0.00 C ATOM 863 CD2 PHE A 59 -1.252 -2.160 -14.373 1.00 0.00 C ATOM 864 CE1 PHE A 59 0.389 -2.534 -12.187 1.00 0.00 C ATOM 865 CE2 PHE A 59 -1.697 -2.901 -13.295 1.00 0.00 C ATOM 866 CZ PHE A 59 -0.875 -3.089 -12.201 1.00 0.00 C ATOM 0 H PHE A 59 3.336 -1.135 -16.159 1.00 0.00 H new ATOM 0 HA PHE A 59 0.835 -2.557 -16.724 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.093 0.043 -15.180 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.365 -0.369 -16.061 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.819 -1.363 -13.252 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.899 -2.017 -15.226 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.033 -2.678 -11.332 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.687 -3.333 -13.308 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.220 -3.669 -11.358 1.00 0.00 H new ATOM 876 N ALA A 60 0.298 -0.702 -18.544 1.00 0.00 N ATOM 877 CA ALA A 60 0.259 -0.001 -19.821 1.00 0.00 C ATOM 878 C ALA A 60 0.924 1.367 -19.718 1.00 0.00 C ATOM 879 O ALA A 60 1.832 1.687 -20.485 1.00 0.00 O ATOM 880 CB ALA A 60 -1.177 0.142 -20.301 1.00 0.00 C ATOM 0 H ALA A 60 -0.605 -1.059 -18.231 1.00 0.00 H new ATOM 0 HA ALA A 60 0.816 -0.592 -20.548 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.191 0.667 -21.256 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.620 -0.846 -20.424 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.751 0.708 -19.567 1.00 0.00 H new ATOM 886 N ASP A 61 0.465 2.172 -18.765 1.00 0.00 N ATOM 887 CA ASP A 61 1.016 3.507 -18.561 1.00 0.00 C ATOM 888 C ASP A 61 0.759 3.988 -17.136 1.00 0.00 C ATOM 889 O ASP A 61 0.028 3.352 -16.377 1.00 0.00 O ATOM 890 CB ASP A 61 0.409 4.490 -19.562 1.00 0.00 C ATOM 891 CG ASP A 61 0.756 4.144 -20.997 1.00 0.00 C ATOM 892 OD1 ASP A 61 1.931 4.320 -21.382 1.00 0.00 O ATOM 893 OD2 ASP A 61 -0.147 3.698 -21.734 1.00 0.00 O ATOM 0 H ASP A 61 -0.287 1.923 -18.122 1.00 0.00 H new ATOM 0 HA ASP A 61 2.093 3.458 -18.720 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.675 4.500 -19.446 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.763 5.496 -19.338 1.00 0.00 H new ATOM 898 N LEU A 62 1.366 5.115 -16.780 1.00 0.00 N ATOM 899 CA LEU A 62 1.204 5.682 -15.446 1.00 0.00 C ATOM 900 C LEU A 62 -0.266 5.958 -15.146 1.00 0.00 C ATOM 901 O LEU A 62 -0.776 5.577 -14.093 1.00 0.00 O ATOM 902 CB LEU A 62 2.013 6.974 -15.318 1.00 0.00 C ATOM 903 CG LEU A 62 1.925 7.691 -13.970 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.698 6.926 -12.907 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.444 9.116 -14.089 1.00 0.00 C ATOM 0 H LEU A 62 1.974 5.654 -17.396 1.00 0.00 H new ATOM 0 HA LEU A 62 1.573 4.955 -14.722 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.060 6.745 -15.517 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.684 7.663 -16.096 1.00 0.00 H new ATOM 0 HG LEU A 62 0.878 7.732 -13.669 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.624 7.451 -11.955 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.280 5.925 -12.803 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.745 6.853 -13.201 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.374 9.611 -13.120 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.485 9.098 -14.413 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.846 9.661 -14.819 1.00 0.00 H new ATOM 917 N ALA A 63 -0.941 6.620 -16.080 1.00 0.00 N ATOM 918 CA ALA A 63 -2.353 6.942 -15.917 1.00 0.00 C ATOM 919 C ALA A 63 -3.141 5.730 -15.433 1.00 0.00 C ATOM 920 O ALA A 63 -3.857 5.800 -14.434 1.00 0.00 O ATOM 921 CB ALA A 63 -2.930 7.461 -17.226 1.00 0.00 C ATOM 0 H ALA A 63 -0.533 6.944 -16.957 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.437 7.722 -15.160 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.985 7.698 -17.090 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.393 8.360 -17.530 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.826 6.698 -17.997 1.00 0.00 H new ATOM 927 N THR A 64 -3.005 4.617 -16.148 1.00 0.00 N ATOM 928 CA THR A 64 -3.705 3.390 -15.792 1.00 0.00 C ATOM 929 C THR A 64 -3.257 2.876 -14.429 1.00 0.00 C ATOM 930 O THR A 64 -4.078 2.460 -13.611 1.00 0.00 O ATOM 931 CB THR A 64 -3.476 2.288 -16.844 1.00 0.00 C ATOM 932 OG1 THR A 64 -3.957 2.721 -18.121 1.00 0.00 O ATOM 933 CG2 THR A 64 -4.181 1.001 -16.441 1.00 0.00 C ATOM 0 H THR A 64 -2.416 4.541 -16.977 1.00 0.00 H new ATOM 0 HA THR A 64 -4.767 3.632 -15.754 1.00 0.00 H new ATOM 0 HB THR A 64 -2.405 2.094 -16.907 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.806 2.015 -18.784 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.005 0.237 -17.199 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.792 0.658 -15.483 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.252 1.185 -16.353 1.00 0.00 H new ATOM 941 N ALA A 65 -1.951 2.909 -14.189 1.00 0.00 N ATOM 942 CA ALA A 65 -1.394 2.450 -12.923 1.00 0.00 C ATOM 943 C ALA A 65 -2.046 3.165 -11.745 1.00 0.00 C ATOM 944 O ALA A 65 -2.339 2.551 -10.720 1.00 0.00 O ATOM 945 CB ALA A 65 0.113 2.659 -12.902 1.00 0.00 C ATOM 0 H ALA A 65 -1.258 3.249 -14.856 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.603 1.384 -12.828 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.515 2.312 -11.950 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.570 2.096 -13.716 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.335 3.719 -13.024 1.00 0.00 H new ATOM 951 N GLU A 66 -2.269 4.467 -11.899 1.00 0.00 N ATOM 952 CA GLU A 66 -2.885 5.266 -10.846 1.00 0.00 C ATOM 953 C GLU A 66 -4.267 4.724 -10.490 1.00 0.00 C ATOM 954 O GLU A 66 -4.481 4.212 -9.390 1.00 0.00 O ATOM 955 CB GLU A 66 -2.996 6.728 -11.283 1.00 0.00 C ATOM 956 CG GLU A 66 -1.790 7.570 -10.901 1.00 0.00 C ATOM 957 CD GLU A 66 -1.732 8.883 -11.658 1.00 0.00 C ATOM 958 OE1 GLU A 66 -2.806 9.406 -12.022 1.00 0.00 O ATOM 959 OE2 GLU A 66 -0.612 9.386 -11.886 1.00 0.00 O ATOM 0 H GLU A 66 -2.032 4.990 -12.742 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.251 5.206 -9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.128 6.766 -12.364 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.890 7.165 -10.837 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.818 7.773 -9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.880 7.003 -11.094 1.00 0.00 H new ATOM 966 N LYS A 67 -5.201 4.840 -11.427 1.00 0.00 N ATOM 967 CA LYS A 67 -6.562 4.362 -11.215 1.00 0.00 C ATOM 968 C LYS A 67 -6.563 2.905 -10.762 1.00 0.00 C ATOM 969 O LYS A 67 -7.432 2.484 -9.997 1.00 0.00 O ATOM 970 CB LYS A 67 -7.382 4.508 -12.499 1.00 0.00 C ATOM 971 CG LYS A 67 -7.631 5.951 -12.901 1.00 0.00 C ATOM 972 CD LYS A 67 -6.528 6.477 -13.804 1.00 0.00 C ATOM 973 CE LYS A 67 -7.031 7.595 -14.705 1.00 0.00 C ATOM 974 NZ LYS A 67 -5.928 8.497 -15.138 1.00 0.00 N ATOM 0 H LYS A 67 -5.040 5.261 -12.342 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.015 4.969 -10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.864 3.998 -13.311 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.340 4.006 -12.367 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.590 6.026 -13.414 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.698 6.572 -12.008 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.701 6.843 -13.195 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.138 5.663 -14.415 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.514 7.165 -15.582 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.788 8.175 -14.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.165 8.917 -16.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.802 9.253 -14.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.046 7.952 -15.222 1.00 0.00 H new ATOM 988 N CYS A 68 -5.585 2.143 -11.236 1.00 0.00 N ATOM 989 CA CYS A 68 -5.472 0.733 -10.878 1.00 0.00 C ATOM 990 C CYS A 68 -4.789 0.568 -9.525 1.00 0.00 C ATOM 991 O CYS A 68 -4.838 -0.503 -8.919 1.00 0.00 O ATOM 992 CB CYS A 68 -4.693 -0.027 -11.953 1.00 0.00 C ATOM 993 SG CYS A 68 -5.637 -0.347 -13.462 1.00 0.00 S ATOM 0 H CYS A 68 -4.858 2.477 -11.869 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.478 0.320 -10.809 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.800 0.542 -12.210 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.357 -0.978 -11.539 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.466 -1.583 -13.827 1.00 0.00 H new ATOM 999 N LEU A 69 -4.149 1.635 -9.057 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.453 1.608 -7.776 1.00 0.00 C ATOM 1001 C LEU A 69 -4.358 2.109 -6.654 1.00 0.00 C ATOM 1002 O LEU A 69 -4.155 1.780 -5.485 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.186 2.462 -7.844 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.677 3.015 -6.512 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -0.901 1.949 -5.754 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.811 4.245 -6.741 1.00 0.00 C ATOM 0 H LEU A 69 -4.098 2.529 -9.546 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.177 0.575 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.393 1.864 -8.293 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.373 3.300 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.537 3.308 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.546 2.360 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.551 1.096 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.049 1.626 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.458 4.625 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.044 3.978 -7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.398 5.015 -7.242 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.359 2.904 -7.019 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.297 3.448 -6.043 1.00 0.00 C ATOM 1020 C HIS A 70 -7.493 2.518 -5.863 1.00 0.00 C ATOM 1021 O HIS A 70 -8.224 2.613 -4.876 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.775 4.833 -6.481 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.711 5.885 -6.406 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -4.907 6.401 -7.365 1.00 0.00 N flip ATOM 1025 CD2 HIS A 70 -5.374 6.532 -5.236 1.00 0.00 C flip ATOM 1026 CE1 HIS A 70 -4.107 7.341 -6.764 1.00 0.00 C flip ATOM 1027 NE2 HIS A 70 -4.409 7.401 -5.479 1.00 0.00 N flip ATOM 0 H HIS A 70 -5.541 3.186 -7.982 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.780 3.536 -5.088 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.145 4.774 -7.505 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.616 5.133 -5.855 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.897 6.140 -8.351 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.828 6.356 -4.272 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.354 7.935 -7.261 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.687 1.619 -6.822 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.794 0.671 -6.770 1.00 0.00 C ATOM 1037 C LYS A 71 -8.461 -0.503 -5.854 1.00 0.00 C ATOM 1038 O LYS A 71 -9.354 -1.212 -5.390 1.00 0.00 O ATOM 1039 CB LYS A 71 -9.121 0.160 -8.174 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.958 -0.544 -8.852 1.00 0.00 C ATOM 1041 CD LYS A 71 -7.933 -2.027 -8.521 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.045 -2.776 -9.239 1.00 0.00 C ATOM 1043 NZ LYS A 71 -10.306 -2.789 -8.447 1.00 0.00 N ATOM 0 H LYS A 71 -7.092 1.527 -7.645 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.665 1.188 -6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.965 -0.527 -8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.437 1.000 -8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.032 -0.413 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.021 -0.085 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.968 -2.448 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.037 -2.163 -7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.229 -2.311 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.727 -3.800 -9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.685 -3.757 -8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.112 -2.460 -7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.003 -2.160 -8.894 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.172 -0.701 -5.598 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.724 -1.788 -4.737 1.00 0.00 C ATOM 1059 C ILE A 72 -5.986 -1.251 -3.515 1.00 0.00 C ATOM 1060 O ILE A 72 -5.775 -1.971 -2.539 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.801 -2.762 -5.493 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.041 -2.025 -6.598 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.608 -3.913 -6.074 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.323 -2.948 -7.557 1.00 0.00 C ATOM 0 H ILE A 72 -6.420 -0.123 -5.974 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.617 -2.324 -4.414 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.075 -3.171 -4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.741 -1.406 -7.158 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.315 -1.352 -6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.942 -4.593 -6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.107 -4.451 -5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.354 -3.522 -6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.806 -2.357 -8.313 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.598 -3.550 -7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.047 -3.604 -8.041 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.598 0.018 -3.575 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.884 0.653 -2.472 1.00 0.00 C ATOM 1078 C ASN A 73 -5.773 0.754 -1.236 1.00 0.00 C ATOM 1079 O ASN A 73 -6.465 1.751 -1.037 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.402 2.045 -2.883 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.190 2.959 -1.691 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.080 3.720 -1.313 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.006 2.887 -1.094 1.00 0.00 N ATOM 0 H ASN A 73 -5.766 0.628 -4.375 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.020 0.035 -2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.468 1.954 -3.438 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.131 2.495 -3.557 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.805 3.478 -0.287 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.298 2.241 -1.442 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.748 -0.286 -0.408 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.554 -0.294 0.798 1.00 0.00 C ATOM 1092 C GLY A 74 -7.502 -1.476 0.854 1.00 0.00 C ATOM 1093 O GLY A 74 -8.045 -1.797 1.911 1.00 0.00 O ATOM 0 H GLY A 74 -5.183 -1.123 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.899 -0.316 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.128 0.631 0.854 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.704 -2.125 -0.288 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.593 -3.278 -0.367 1.00 0.00 C ATOM 1099 C LYS A 75 -7.865 -4.555 0.041 1.00 0.00 C ATOM 1100 O LYS A 75 -6.639 -4.649 -0.029 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.147 -3.425 -1.785 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.273 -2.456 -2.102 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.570 -2.869 -1.427 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.320 -3.907 -2.248 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.447 -4.510 -1.485 1.00 0.00 N ATOM 0 H LYS A 75 -7.263 -1.872 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.420 -3.115 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.338 -3.275 -2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.507 -4.445 -1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.995 -1.454 -1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.422 -2.410 -3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.354 -3.273 -0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.201 -1.992 -1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.704 -3.443 -3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.630 -4.692 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.932 -5.212 -2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.078 -4.975 -0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.119 -3.765 -1.211 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.635 -5.563 0.476 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.085 -6.853 0.902 1.00 0.00 C ATOM 1121 C PRO A 76 -7.523 -7.657 -0.266 1.00 0.00 C ATOM 1122 O PRO A 76 -8.122 -7.711 -1.341 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.292 -7.570 1.512 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.474 -6.955 0.847 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.103 -5.521 0.586 1.00 0.00 C ATOM 0 HA PRO A 76 -7.250 -6.732 1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.249 -8.644 1.329 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.330 -7.432 2.593 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.712 -7.472 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.357 -7.020 1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.564 -5.147 -0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.427 -4.868 1.397 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.370 -8.281 -0.049 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.727 -9.083 -1.083 1.00 0.00 C ATOM 1135 C LEU A 77 -6.269 -10.509 -1.082 1.00 0.00 C ATOM 1136 O LEU A 77 -6.246 -11.207 -0.068 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.212 -9.100 -0.875 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.461 -10.270 -1.511 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.599 -10.233 -3.025 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -1.994 -10.245 -1.107 1.00 0.00 C ATOM 0 H LEU A 77 -5.861 -8.247 0.835 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.949 -8.631 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.800 -8.172 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.012 -9.106 0.197 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.901 -11.199 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.058 -11.073 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.653 -10.300 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.185 -9.299 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.475 -11.085 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.541 -9.311 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.914 -10.321 -0.023 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.766 -10.954 -2.245 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.320 -12.302 -2.405 1.00 0.00 C ATOM 1154 C PRO A 78 -6.246 -13.382 -2.338 1.00 0.00 C ATOM 1155 O PRO A 78 -5.130 -13.192 -2.819 1.00 0.00 O ATOM 1156 CB PRO A 78 -7.953 -12.263 -3.799 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.199 -11.204 -4.527 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.825 -10.177 -3.495 1.00 0.00 C ATOM 0 HA PRO A 78 -8.023 -12.550 -1.610 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.866 -13.227 -4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.016 -12.026 -3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.311 -11.617 -5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.810 -10.762 -5.314 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.867 -9.709 -3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.564 -9.378 -3.437 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.592 -14.518 -1.739 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.645 -15.612 -1.621 1.00 0.00 C ATOM 1168 C GLY A 79 -4.766 -15.488 -0.392 1.00 0.00 C ATOM 1169 O GLY A 79 -4.571 -16.458 0.340 1.00 0.00 O ATOM 0 H GLY A 79 -7.510 -14.700 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.188 -16.556 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.017 -15.643 -2.511 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.234 -14.291 -0.166 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.371 -14.044 0.983 1.00 0.00 C ATOM 1175 C ALA A 80 -3.801 -14.882 2.183 1.00 0.00 C ATOM 1176 O ALA A 80 -4.947 -14.809 2.627 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.378 -12.565 1.340 1.00 0.00 C ATOM 0 H ALA A 80 -4.385 -13.478 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.356 -14.337 0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.730 -12.395 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.016 -11.984 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.394 -12.255 1.585 1.00 0.00 H new ATOM 1183 N THR A 81 -2.874 -15.680 2.704 1.00 0.00 N ATOM 1184 CA THR A 81 -3.157 -16.533 3.851 1.00 0.00 C ATOM 1185 C THR A 81 -2.342 -16.108 5.067 1.00 0.00 C ATOM 1186 O THR A 81 -1.119 -15.977 5.011 1.00 0.00 O ATOM 1187 CB THR A 81 -2.858 -18.011 3.539 1.00 0.00 C ATOM 1188 OG1 THR A 81 -3.375 -18.353 2.248 1.00 0.00 O ATOM 1189 CG2 THR A 81 -3.471 -18.922 4.593 1.00 0.00 C ATOM 0 H THR A 81 -1.920 -15.753 2.349 1.00 0.00 H new ATOM 0 HA THR A 81 -4.219 -16.423 4.072 1.00 0.00 H new ATOM 0 HB THR A 81 -1.777 -18.149 3.546 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.846 -17.581 1.869 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.246 -19.961 4.351 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.055 -18.679 5.571 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.551 -18.780 4.613 1.00 0.00 H new ATOM 1197 N PRO A 82 -3.033 -15.886 6.196 1.00 0.00 N ATOM 1198 CA PRO A 82 -4.489 -16.038 6.275 1.00 0.00 C ATOM 1199 C PRO A 82 -5.228 -14.956 5.494 1.00 0.00 C ATOM 1200 O PRO A 82 -6.140 -15.249 4.721 1.00 0.00 O ATOM 1201 CB PRO A 82 -4.778 -15.908 7.772 1.00 0.00 C ATOM 1202 CG PRO A 82 -3.646 -15.102 8.308 1.00 0.00 C ATOM 1203 CD PRO A 82 -2.446 -15.471 7.481 1.00 0.00 C ATOM 0 HA PRO A 82 -4.825 -16.980 5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.734 -15.415 7.949 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.830 -16.885 8.251 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.857 -14.035 8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.476 -15.321 9.362 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.767 -14.627 7.359 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.874 -16.277 7.940 1.00 0.00 H new ATOM 1211 N ALA A 83 -4.828 -13.706 5.701 1.00 0.00 N ATOM 1212 CA ALA A 83 -5.450 -12.581 5.015 1.00 0.00 C ATOM 1213 C ALA A 83 -4.631 -11.307 5.192 1.00 0.00 C ATOM 1214 O ALA A 83 -4.237 -10.961 6.306 1.00 0.00 O ATOM 1215 CB ALA A 83 -6.869 -12.373 5.522 1.00 0.00 C ATOM 0 H ALA A 83 -4.075 -13.447 6.339 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.486 -12.813 3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.322 -11.529 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.457 -13.272 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.847 -12.169 6.592 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.376 -10.614 4.088 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.604 -9.378 4.121 1.00 0.00 C ATOM 1223 C LYS A 84 -4.275 -8.294 3.283 1.00 0.00 C ATOM 1224 O LYS A 84 -5.255 -8.554 2.585 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.183 -9.626 3.608 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.412 -10.648 4.425 1.00 0.00 C ATOM 1227 CD LYS A 84 -0.224 -11.198 3.653 1.00 0.00 C ATOM 1228 CE LYS A 84 0.991 -10.291 3.779 1.00 0.00 C ATOM 1229 NZ LYS A 84 1.725 -10.522 5.054 1.00 0.00 N ATOM 0 H LYS A 84 -4.693 -10.888 3.158 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.557 -9.037 5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.233 -9.964 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.635 -8.684 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.064 -10.188 5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.075 -11.466 4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.023 -12.193 4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.491 -11.307 2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.662 -10.463 2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.674 -9.249 3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.526 -9.862 5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.083 -10.366 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.079 -11.500 5.079 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.741 -7.079 3.357 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.289 -5.957 2.606 1.00 0.00 C ATOM 1245 C ARG A 85 -3.420 -5.638 1.393 1.00 0.00 C ATOM 1246 O ARG A 85 -2.252 -6.025 1.334 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.404 -4.723 3.503 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.550 -3.799 3.124 1.00 0.00 C ATOM 1249 CD ARG A 85 -6.899 -4.420 3.455 1.00 0.00 C ATOM 1250 NE ARG A 85 -7.185 -4.376 4.886 1.00 0.00 N ATOM 1251 CZ ARG A 85 -6.843 -5.339 5.734 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -6.205 -6.416 5.296 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -7.138 -5.227 7.022 1.00 0.00 N ATOM 0 H ARG A 85 -2.929 -6.847 3.930 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.282 -6.237 2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.535 -5.046 4.536 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.469 -4.165 3.460 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.445 -2.851 3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.502 -3.577 2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.684 -3.893 2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.915 -5.455 3.114 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.674 -3.561 5.255 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -5.976 -6.506 4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.943 -7.155 5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.628 -4.400 7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.875 -5.968 7.672 1.00 0.00 H new ATOM 1267 N PHE A 86 -3.997 -4.931 0.427 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.275 -4.561 -0.785 1.00 0.00 C ATOM 1269 C PHE A 86 -2.321 -3.401 -0.518 1.00 0.00 C ATOM 1270 O PHE A 86 -2.734 -2.242 -0.462 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.259 -4.182 -1.894 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.632 -5.334 -2.783 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.670 -5.977 -3.546 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.944 -5.773 -2.857 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -4.011 -7.036 -4.365 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.291 -6.832 -3.674 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.323 -7.465 -4.429 1.00 0.00 C ATOM 0 H PHE A 86 -4.962 -4.603 0.460 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.690 -5.422 -1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.163 -3.774 -1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.821 -3.391 -2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.643 -5.647 -3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.705 -5.281 -2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.252 -7.528 -4.955 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.318 -7.164 -3.722 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.591 -8.293 -5.068 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.042 -3.720 -0.352 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.027 -2.706 -0.091 1.00 0.00 C ATOM 1289 C LYS A 87 0.636 -2.253 -1.388 1.00 0.00 C ATOM 1290 O LYS A 87 1.533 -2.920 -1.905 1.00 0.00 O ATOM 1291 CB LYS A 87 1.031 -3.250 0.872 1.00 0.00 C ATOM 1292 CG LYS A 87 1.758 -2.168 1.651 1.00 0.00 C ATOM 1293 CD LYS A 87 1.048 -1.849 2.956 1.00 0.00 C ATOM 1294 CE LYS A 87 1.269 -0.402 3.371 1.00 0.00 C ATOM 1295 NZ LYS A 87 0.680 0.552 2.391 1.00 0.00 N ATOM 0 H LYS A 87 -0.683 -4.674 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.517 -1.846 0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.554 -3.933 1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.760 -3.831 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.778 -2.491 1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.828 -1.266 1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.020 -2.038 2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.410 -2.513 3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.826 -0.234 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.338 -0.211 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.403 1.426 2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.383 0.774 1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.158 0.123 1.949 1.00 0.00 H new ATOM 1309 N LEU A 88 0.189 -1.116 -1.909 1.00 0.00 N ATOM 1310 CA LEU A 88 0.741 -0.572 -3.145 1.00 0.00 C ATOM 1311 C LEU A 88 1.185 0.874 -2.954 1.00 0.00 C ATOM 1312 O LEU A 88 0.615 1.608 -2.148 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.295 -0.655 -4.268 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.003 -2.000 -4.430 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.017 -1.937 -5.562 1.00 0.00 C ATOM 1316 CD2 LEU A 88 0.009 -3.109 -4.680 1.00 0.00 C ATOM 0 H LEU A 88 -0.554 -0.553 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 88 1.613 -1.167 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.050 0.112 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.198 -0.411 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.535 -2.222 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.511 -2.903 -5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.760 -1.171 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.507 -1.692 -6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.513 -4.059 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.569 -2.892 -5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.697 -3.171 -3.837 1.00 0.00 H new ATOM 1328 N ASN A 89 2.207 1.278 -3.702 1.00 0.00 N ATOM 1329 CA ASN A 89 2.728 2.637 -3.616 1.00 0.00 C ATOM 1330 C ASN A 89 3.431 3.034 -4.911 1.00 0.00 C ATOM 1331 O ASN A 89 3.819 2.178 -5.706 1.00 0.00 O ATOM 1332 CB ASN A 89 3.696 2.761 -2.438 1.00 0.00 C ATOM 1333 CG ASN A 89 2.980 2.797 -1.102 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.537 1.766 -0.595 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.864 3.987 -0.525 1.00 0.00 N ATOM 0 H ASN A 89 2.691 0.683 -4.375 1.00 0.00 H new ATOM 0 HA ASN A 89 1.887 3.312 -3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.391 1.921 -2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.290 3.668 -2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.392 4.073 0.375 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.247 4.815 -0.982 1.00 0.00 H new ATOM 1342 N TYR A 90 3.591 4.336 -5.116 1.00 0.00 N ATOM 1343 CA TYR A 90 4.245 4.847 -6.314 1.00 0.00 C ATOM 1344 C TYR A 90 5.673 4.321 -6.421 1.00 0.00 C ATOM 1345 O TYR A 90 6.451 4.407 -5.472 1.00 0.00 O ATOM 1346 CB TYR A 90 4.252 6.377 -6.305 1.00 0.00 C ATOM 1347 CG TYR A 90 2.949 6.991 -6.764 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.296 6.517 -7.895 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.372 8.046 -6.068 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.106 7.076 -8.319 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.182 8.610 -6.483 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.552 8.122 -7.609 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.633 8.682 -8.028 1.00 0.00 O ATOM 0 H TYR A 90 3.276 5.058 -4.467 1.00 0.00 H new ATOM 0 HA TYR A 90 3.683 4.499 -7.180 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.472 6.725 -5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.058 6.732 -6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.726 5.698 -8.452 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.863 8.432 -5.187 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.612 6.697 -9.201 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.747 9.429 -5.929 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.887 9.406 -7.418 1.00 0.00 H new ATOM 1363 N ALA A 91 6.011 3.777 -7.586 1.00 0.00 N ATOM 1364 CA ALA A 91 7.345 3.239 -7.820 1.00 0.00 C ATOM 1365 C ALA A 91 8.419 4.205 -7.330 1.00 0.00 C ATOM 1366 O ALA A 91 9.542 3.799 -7.026 1.00 0.00 O ATOM 1367 CB ALA A 91 7.540 2.935 -9.298 1.00 0.00 C ATOM 0 H ALA A 91 5.379 3.697 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 91 7.441 2.312 -7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.541 2.534 -9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.800 2.202 -9.620 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.419 3.851 -9.877 1.00 0.00 H new ATOM 1373 N THR A 92 8.069 5.485 -7.256 1.00 0.00 N ATOM 1374 CA THR A 92 9.004 6.508 -6.805 1.00 0.00 C ATOM 1375 C THR A 92 8.809 6.817 -5.325 1.00 0.00 C ATOM 1376 O THR A 92 8.966 7.960 -4.894 1.00 0.00 O ATOM 1377 CB THR A 92 8.846 7.809 -7.615 1.00 0.00 C ATOM 1378 OG1 THR A 92 9.859 8.748 -7.236 1.00 0.00 O ATOM 1379 CG2 THR A 92 7.471 8.422 -7.393 1.00 0.00 C ATOM 0 H THR A 92 7.144 5.838 -7.503 1.00 0.00 H new ATOM 0 HA THR A 92 10.007 6.111 -6.961 1.00 0.00 H new ATOM 0 HB THR A 92 8.952 7.567 -8.673 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.914 8.793 -6.259 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.383 9.339 -7.975 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.703 7.717 -7.710 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.341 8.650 -6.335 1.00 0.00 H new ATOM 1387 N TYR A 93 8.466 5.793 -4.552 1.00 0.00 N ATOM 1388 CA TYR A 93 8.248 5.956 -3.120 1.00 0.00 C ATOM 1389 C TYR A 93 9.562 6.239 -2.397 1.00 0.00 C ATOM 1390 O TYR A 93 10.643 6.038 -2.950 1.00 0.00 O ATOM 1391 CB TYR A 93 7.592 4.704 -2.537 1.00 0.00 C ATOM 1392 CG TYR A 93 8.583 3.676 -2.039 1.00 0.00 C ATOM 1393 CD1 TYR A 93 9.782 3.458 -2.707 1.00 0.00 C ATOM 1394 CD2 TYR A 93 8.321 2.925 -0.900 1.00 0.00 C ATOM 1395 CE1 TYR A 93 10.690 2.520 -2.256 1.00 0.00 C ATOM 1396 CE2 TYR A 93 9.225 1.986 -0.441 1.00 0.00 C ATOM 1397 CZ TYR A 93 10.407 1.786 -1.122 1.00 0.00 C ATOM 1398 OH TYR A 93 11.310 0.852 -0.669 1.00 0.00 O ATOM 0 H TYR A 93 8.333 4.841 -4.893 1.00 0.00 H new ATOM 0 HA TYR A 93 7.584 6.808 -2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.940 4.996 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.960 4.247 -3.298 1.00 0.00 H new ATOM 0 HD1 TYR A 93 10.008 4.032 -3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.396 3.078 -0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 93 11.617 2.362 -2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.007 1.411 0.447 1.00 0.00 H new ATOM 0 HH TYR A 93 10.960 0.424 0.140 1.00 0.00 H new ATOM 1408 N SER A 94 9.459 6.706 -1.157 1.00 0.00 N ATOM 1409 CA SER A 94 10.638 7.020 -0.358 1.00 0.00 C ATOM 1410 C SER A 94 10.246 7.372 1.073 1.00 0.00 C ATOM 1411 O SER A 94 9.356 8.190 1.302 1.00 0.00 O ATOM 1412 CB SER A 94 11.412 8.180 -0.987 1.00 0.00 C ATOM 1413 OG SER A 94 12.797 8.081 -0.704 1.00 0.00 O ATOM 0 H SER A 94 8.571 6.875 -0.684 1.00 0.00 H new ATOM 0 HA SER A 94 11.277 6.137 -0.335 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.257 8.182 -2.066 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.027 9.127 -0.608 1.00 0.00 H new ATOM 0 HG SER A 94 13.270 8.833 -1.118 1.00 0.00 H new ATOM 1419 N GLY A 95 10.918 6.747 2.035 1.00 0.00 N ATOM 1420 CA GLY A 95 10.626 7.006 3.433 1.00 0.00 C ATOM 1421 C GLY A 95 11.880 7.232 4.254 1.00 0.00 C ATOM 1422 O GLY A 95 12.398 6.321 4.900 1.00 0.00 O ATOM 0 H GLY A 95 11.659 6.066 1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.982 7.882 3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.071 6.164 3.847 1.00 0.00 H new ATOM 1426 N PRO A 96 12.389 8.473 4.236 1.00 0.00 N ATOM 1427 CA PRO A 96 13.597 8.845 4.978 1.00 0.00 C ATOM 1428 C PRO A 96 13.370 8.855 6.486 1.00 0.00 C ATOM 1429 O PRO A 96 14.133 8.254 7.242 1.00 0.00 O ATOM 1430 CB PRO A 96 13.902 10.258 4.474 1.00 0.00 C ATOM 1431 CG PRO A 96 12.587 10.790 4.019 1.00 0.00 C ATOM 1432 CD PRO A 96 11.823 9.609 3.488 1.00 0.00 C ATOM 0 HA PRO A 96 14.409 8.136 4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 96 14.327 10.877 5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 96 14.625 10.240 3.659 1.00 0.00 H new ATOM 0 HG2 PRO A 96 12.052 11.263 4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.719 11.548 3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.752 9.712 3.663 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.961 9.491 2.413 1.00 0.00 H new ATOM 1440 N SER A 97 12.316 9.542 6.917 1.00 0.00 N ATOM 1441 CA SER A 97 11.991 9.633 8.336 1.00 0.00 C ATOM 1442 C SER A 97 12.275 8.312 9.044 1.00 0.00 C ATOM 1443 O SER A 97 11.993 7.237 8.513 1.00 0.00 O ATOM 1444 CB SER A 97 10.522 10.018 8.520 1.00 0.00 C ATOM 1445 OG SER A 97 10.273 11.327 8.038 1.00 0.00 O ATOM 0 H SER A 97 11.673 10.043 6.304 1.00 0.00 H new ATOM 0 HA SER A 97 12.620 10.405 8.779 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.888 9.306 7.992 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.257 9.959 9.576 1.00 0.00 H new ATOM 0 HG SER A 97 9.327 11.548 8.166 1.00 0.00 H new ATOM 1451 N SER A 98 12.835 8.400 10.246 1.00 0.00 N ATOM 1452 CA SER A 98 13.162 7.213 11.027 1.00 0.00 C ATOM 1453 C SER A 98 13.316 7.560 12.504 1.00 0.00 C ATOM 1454 O SER A 98 13.469 8.725 12.867 1.00 0.00 O ATOM 1455 CB SER A 98 14.448 6.571 10.504 1.00 0.00 C ATOM 1456 OG SER A 98 14.345 6.272 9.123 1.00 0.00 O ATOM 0 H SER A 98 13.072 9.282 10.701 1.00 0.00 H new ATOM 0 HA SER A 98 12.342 6.502 10.923 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.288 7.245 10.671 1.00 0.00 H new ATOM 0 HB3 SER A 98 14.655 5.658 11.062 1.00 0.00 H new ATOM 0 HG SER A 98 13.400 6.245 8.864 1.00 0.00 H new ATOM 1462 N GLY A 99 13.276 6.537 13.353 1.00 0.00 N ATOM 1463 CA GLY A 99 13.413 6.753 14.782 1.00 0.00 C ATOM 1464 C GLY A 99 12.075 6.784 15.494 1.00 0.00 C ATOM 1465 O GLY A 99 11.313 5.819 15.440 1.00 0.00 O ATOM 0 H GLY A 99 13.151 5.563 13.077 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.030 5.962 15.208 1.00 0.00 H new ATOM 0 HA3 GLY A 99 13.936 7.694 14.956 1.00 0.00 H new TER 1469 GLY A 99