USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 649 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 49 GLN : amide:sc= -3.84! K(o=-4.3!,f=-4.9) USER MOD Set 1.2: A 54 LYS NZ :NH3+ -131:sc= 2.15 (180deg=0.888) USER MOD Set 1.3: A 61 GLN : amide:sc= -2.57! K(o=-4.3!,f=-9.7) USER MOD Set 2.1: A 25 SER OG : rot -97:sc= 1.37 USER MOD Set 2.2: A 26 ASN : amide:sc= -2.39! K(o=-1!,f=1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -1.91! (180deg=-3.28!) USER MOD Single : A 2 GLN : amide:sc= -3.57! K(o=-3.6!,f=-0.67) USER MOD Single : A 3 THR OG1 : rot -173:sc= 1.12 USER MOD Single : A 9 SER OG : rot -140:sc= 0.974 USER MOD Single : A 13 TYR OH : rot 33:sc= 0.186 USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -0.544 (180deg=-0.611) USER MOD Single : A 23 LYS NZ :NH3+ -141:sc= -3.62! (180deg=-6.86!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.337 USER MOD Single : A 34 GLN : amide:sc= 0.107 K(o=0.11,f=-6!) USER MOD Single : A 35 TYR OH : rot -1:sc= -1.1 USER MOD Single : A 44 THR OG1 : rot 118:sc= 0.945 USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= 0.336 (180deg=0.242) USER MOD Single : A 50 GLN : amide:sc=-0.00566 X(o=-0.0057,f=-0.16) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0277 (180deg=-0.335) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 1.54 K(o=1.5,f=-4.1!) USER MOD Single : A 68 HIS : no HE2:sc= -7.32! C(o=-7.3!,f=-9.8!) USER MOD Single : A 72 TYR OH : rot 38:sc= 2.2 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 80 LYS NZ :NH3+ -112:sc= -0.763! (180deg=-4.76!) USER MOD Single : A 82 ASN : amide:sc= 0.16 X(o=0.16,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.168 -4.004 4.986 1.00 2.48 N ATOM 2 CA MET A 1 -8.062 -3.099 5.399 1.00 1.25 C ATOM 3 C MET A 1 -6.724 -3.797 5.153 1.00 1.10 C ATOM 4 O MET A 1 -5.818 -3.672 5.959 1.00 1.25 O ATOM 5 CB MET A 1 -8.164 -2.744 6.893 1.00 1.89 C ATOM 6 CG MET A 1 -9.612 -2.421 7.267 1.00 2.69 C ATOM 7 SD MET A 1 -10.582 -1.465 6.073 1.00 2.70 S ATOM 8 CE MET A 1 -9.924 0.172 6.481 1.00 2.10 C ATOM 0 H1 MET A 1 -9.990 -3.437 4.696 1.00 2.48 H new ATOM 0 H2 MET A 1 -8.855 -4.593 4.188 1.00 2.48 H new ATOM 0 H3 MET A 1 -9.433 -4.615 5.785 1.00 2.48 H new ATOM 0 HA MET A 1 -8.134 -2.182 4.814 1.00 1.25 H new ATOM 0 HB2 MET A 1 -7.803 -3.577 7.497 1.00 1.89 H new ATOM 0 HB3 MET A 1 -7.525 -1.889 7.115 1.00 1.89 H new ATOM 0 HG2 MET A 1 -10.132 -3.362 7.448 1.00 2.69 H new ATOM 0 HG3 MET A 1 -9.603 -1.874 8.210 1.00 2.69 H new ATOM 0 HE1 MET A 1 -10.398 0.923 5.848 1.00 2.10 H new ATOM 0 HE2 MET A 1 -10.131 0.397 7.527 1.00 2.10 H new ATOM 0 HE3 MET A 1 -8.847 0.183 6.313 1.00 2.10 H new ATOM 18 N GLN A 2 -6.616 -4.497 4.050 1.00 0.95 N ATOM 19 CA GLN A 2 -5.358 -5.207 3.738 1.00 0.92 C ATOM 20 C GLN A 2 -4.713 -4.540 2.527 1.00 0.88 C ATOM 21 O GLN A 2 -5.080 -4.787 1.391 1.00 1.45 O ATOM 22 CB GLN A 2 -5.702 -6.663 3.443 1.00 1.00 C ATOM 23 CG GLN A 2 -4.447 -7.430 3.027 1.00 2.42 C ATOM 24 CD GLN A 2 -3.380 -7.355 4.129 1.00 3.52 C ATOM 25 OE1 GLN A 2 -3.499 -7.949 5.177 1.00 3.71 O ATOM 26 NE2 GLN A 2 -2.324 -6.623 3.952 1.00 5.30 N ATOM 0 H GLN A 2 -7.355 -4.602 3.355 1.00 0.95 H new ATOM 0 HA GLN A 2 -4.656 -5.167 4.571 1.00 0.92 H new ATOM 0 HB2 GLN A 2 -6.143 -7.126 4.326 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -6.448 -6.714 2.650 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -4.700 -8.471 2.828 1.00 2.42 H new ATOM 0 HG3 GLN A 2 -4.051 -7.015 2.100 1.00 2.42 H new ATOM 0 HE21 GLN A 2 -2.198 -6.112 3.078 1.00 5.30 H new ATOM 0 HE22 GLN A 2 -1.619 -6.559 4.686 1.00 5.30 H new ATOM 35 N THR A 3 -3.780 -3.688 2.816 1.00 0.55 N ATOM 36 CA THR A 3 -3.068 -2.951 1.743 1.00 0.51 C ATOM 37 C THR A 3 -1.959 -3.826 1.165 1.00 0.47 C ATOM 38 O THR A 3 -1.239 -4.474 1.904 1.00 0.55 O ATOM 39 CB THR A 3 -2.435 -1.706 2.377 1.00 0.58 C ATOM 40 OG1 THR A 3 -3.532 -0.949 2.875 1.00 0.67 O ATOM 41 CG2 THR A 3 -1.723 -0.806 1.356 1.00 0.78 C ATOM 0 H THR A 3 -3.475 -3.466 3.764 1.00 0.55 H new ATOM 0 HA THR A 3 -3.761 -2.680 0.947 1.00 0.51 H new ATOM 0 HB THR A 3 -1.701 -2.018 3.119 1.00 0.58 H new ATOM 0 HG1 THR A 3 -3.212 -0.080 3.194 1.00 0.67 H new ATOM 0 HG21 THR A 3 -1.296 0.057 1.867 1.00 0.78 H new ATOM 0 HG22 THR A 3 -0.927 -1.368 0.868 1.00 0.78 H new ATOM 0 HG23 THR A 3 -2.439 -0.467 0.608 1.00 0.78 H new ATOM 49 N VAL A 4 -1.850 -3.856 -0.132 1.00 0.42 N ATOM 50 CA VAL A 4 -0.770 -4.662 -0.760 1.00 0.45 C ATOM 51 C VAL A 4 -0.001 -3.729 -1.696 1.00 0.40 C ATOM 52 O VAL A 4 -0.609 -2.993 -2.464 1.00 0.40 O ATOM 53 CB VAL A 4 -1.386 -5.831 -1.547 1.00 0.55 C ATOM 54 CG1 VAL A 4 -0.273 -6.810 -1.944 1.00 0.75 C ATOM 55 CG2 VAL A 4 -2.413 -6.574 -0.679 1.00 0.66 C ATOM 0 H VAL A 4 -2.459 -3.359 -0.782 1.00 0.42 H new ATOM 0 HA VAL A 4 -0.102 -5.082 -0.009 1.00 0.45 H new ATOM 0 HB VAL A 4 -1.882 -5.439 -2.435 1.00 0.55 H new ATOM 0 HG11 VAL A 4 -0.702 -7.642 -2.503 1.00 0.75 H new ATOM 0 HG12 VAL A 4 0.460 -6.295 -2.566 1.00 0.75 H new ATOM 0 HG13 VAL A 4 0.215 -7.189 -1.046 1.00 0.75 H new ATOM 0 HG21 VAL A 4 -2.841 -7.399 -1.248 1.00 0.66 H new ATOM 0 HG22 VAL A 4 -1.922 -6.964 0.212 1.00 0.66 H new ATOM 0 HG23 VAL A 4 -3.206 -5.886 -0.384 1.00 0.66 H new ATOM 65 N ILE A 5 1.297 -3.737 -1.563 1.00 0.43 N ATOM 66 CA ILE A 5 2.138 -2.872 -2.437 1.00 0.40 C ATOM 67 C ILE A 5 2.788 -3.784 -3.474 1.00 0.35 C ATOM 68 O ILE A 5 3.370 -4.786 -3.096 1.00 0.44 O ATOM 69 CB ILE A 5 3.232 -2.197 -1.587 1.00 0.47 C ATOM 70 CG1 ILE A 5 2.630 -1.562 -0.316 1.00 0.60 C ATOM 71 CG2 ILE A 5 3.948 -1.125 -2.418 1.00 0.46 C ATOM 72 CD1 ILE A 5 1.604 -0.471 -0.651 1.00 1.51 C ATOM 0 H ILE A 5 1.810 -4.304 -0.888 1.00 0.43 H new ATOM 0 HA ILE A 5 1.540 -2.097 -2.917 1.00 0.40 H new ATOM 0 HB ILE A 5 3.949 -2.959 -1.282 1.00 0.47 H new ATOM 0 HG12 ILE A 5 2.153 -2.336 0.285 1.00 0.60 H new ATOM 0 HG13 ILE A 5 3.429 -1.135 0.290 1.00 0.60 H new ATOM 0 HG21 ILE A 5 4.720 -0.651 -1.812 1.00 0.46 H new ATOM 0 HG22 ILE A 5 4.406 -1.588 -3.292 1.00 0.46 H new ATOM 0 HG23 ILE A 5 3.228 -0.373 -2.741 1.00 0.46 H new ATOM 0 HD11 ILE A 5 1.205 -0.051 0.272 1.00 1.51 H new ATOM 0 HD12 ILE A 5 2.086 0.317 -1.230 1.00 1.51 H new ATOM 0 HD13 ILE A 5 0.791 -0.903 -1.234 1.00 1.51 H new ATOM 84 N PHE A 6 2.667 -3.439 -4.732 1.00 0.39 N ATOM 85 CA PHE A 6 3.267 -4.283 -5.802 1.00 0.38 C ATOM 86 C PHE A 6 4.506 -3.554 -6.316 1.00 0.43 C ATOM 87 O PHE A 6 4.388 -2.679 -7.155 1.00 0.53 O ATOM 88 CB PHE A 6 2.287 -4.456 -6.984 1.00 0.44 C ATOM 89 CG PHE A 6 1.024 -5.268 -6.625 1.00 0.55 C ATOM 90 CD1 PHE A 6 0.289 -5.017 -5.477 1.00 0.93 C ATOM 91 CD2 PHE A 6 0.550 -6.220 -7.514 1.00 1.10 C ATOM 92 CE1 PHE A 6 -0.885 -5.698 -5.232 1.00 1.03 C ATOM 93 CE2 PHE A 6 -0.627 -6.897 -7.266 1.00 1.30 C ATOM 94 CZ PHE A 6 -1.344 -6.634 -6.125 1.00 0.98 C ATOM 0 H PHE A 6 2.177 -2.607 -5.061 1.00 0.39 H new ATOM 0 HA PHE A 6 3.505 -5.267 -5.398 1.00 0.38 H new ATOM 0 HB2 PHE A 6 1.986 -3.472 -7.343 1.00 0.44 H new ATOM 0 HB3 PHE A 6 2.805 -4.950 -7.806 1.00 0.44 H new ATOM 0 HD1 PHE A 6 0.639 -4.281 -4.768 1.00 0.93 H new ATOM 0 HD2 PHE A 6 1.109 -6.435 -8.413 1.00 1.10 H new ATOM 0 HE1 PHE A 6 -1.446 -5.494 -4.332 1.00 1.03 H new ATOM 0 HE2 PHE A 6 -0.984 -7.634 -7.970 1.00 1.30 H new ATOM 0 HZ PHE A 6 -2.266 -7.162 -5.931 1.00 0.98 H new ATOM 104 N GLY A 7 5.642 -3.885 -5.774 1.00 0.53 N ATOM 105 CA GLY A 7 6.900 -3.214 -6.226 1.00 0.67 C ATOM 106 C GLY A 7 7.881 -4.298 -6.633 1.00 0.86 C ATOM 107 O GLY A 7 7.465 -5.414 -6.881 1.00 1.00 O ATOM 0 H GLY A 7 5.759 -4.586 -5.042 1.00 0.53 H new ATOM 0 HA2 GLY A 7 6.698 -2.547 -7.064 1.00 0.67 H new ATOM 0 HA3 GLY A 7 7.316 -2.603 -5.425 1.00 0.67 H new ATOM 111 N ARG A 8 9.139 -3.971 -6.766 1.00 1.08 N ATOM 112 CA ARG A 8 10.102 -5.046 -7.141 1.00 1.42 C ATOM 113 C ARG A 8 11.455 -4.870 -6.437 1.00 1.79 C ATOM 114 O ARG A 8 12.006 -3.779 -6.384 1.00 2.41 O ATOM 115 CB ARG A 8 10.291 -5.095 -8.668 1.00 2.02 C ATOM 116 CG ARG A 8 10.881 -3.787 -9.211 1.00 1.80 C ATOM 117 CD ARG A 8 11.270 -3.984 -10.683 1.00 2.78 C ATOM 118 NE ARG A 8 12.082 -5.239 -10.812 1.00 3.56 N ATOM 119 CZ ARG A 8 13.378 -5.183 -10.866 1.00 4.36 C ATOM 120 NH1 ARG A 8 14.043 -5.200 -9.750 1.00 4.74 N ATOM 121 NH2 ARG A 8 13.948 -5.125 -12.030 1.00 5.45 N ATOM 0 H ARG A 8 9.532 -3.039 -6.636 1.00 1.08 H new ATOM 0 HA ARG A 8 9.679 -5.994 -6.808 1.00 1.42 H new ATOM 0 HB2 ARG A 8 10.948 -5.925 -8.926 1.00 2.02 H new ATOM 0 HB3 ARG A 8 9.331 -5.287 -9.147 1.00 2.02 H new ATOM 0 HG2 ARG A 8 10.154 -2.980 -9.119 1.00 1.80 H new ATOM 0 HG3 ARG A 8 11.754 -3.497 -8.627 1.00 1.80 H new ATOM 0 HD2 ARG A 8 10.376 -4.049 -11.303 1.00 2.78 H new ATOM 0 HD3 ARG A 8 11.843 -3.127 -11.039 1.00 2.78 H new ATOM 0 HE ARG A 8 11.612 -6.143 -10.858 1.00 3.56 H new ATOM 0 HH11 ARG A 8 13.546 -5.256 -8.861 1.00 4.74 H new ATOM 0 HH12 ARG A 8 15.062 -5.157 -9.763 1.00 4.74 H new ATOM 0 HH21 ARG A 8 13.379 -5.124 -12.877 1.00 5.45 H new ATOM 0 HH22 ARG A 8 14.965 -5.080 -12.098 1.00 5.45 H new ATOM 135 N SER A 9 12.003 -5.959 -5.962 1.00 2.47 N ATOM 136 CA SER A 9 13.321 -5.842 -5.268 1.00 2.94 C ATOM 137 C SER A 9 14.288 -5.111 -6.191 1.00 3.43 C ATOM 138 O SER A 9 14.489 -5.530 -7.322 1.00 4.45 O ATOM 139 CB SER A 9 13.929 -7.214 -4.985 1.00 3.27 C ATOM 140 OG SER A 9 13.013 -7.895 -4.135 1.00 3.46 O ATOM 0 H SER A 9 11.610 -6.898 -6.021 1.00 2.47 H new ATOM 0 HA SER A 9 13.161 -5.314 -4.328 1.00 2.94 H new ATOM 0 HB2 SER A 9 14.084 -7.768 -5.911 1.00 3.27 H new ATOM 0 HB3 SER A 9 14.903 -7.115 -4.506 1.00 3.27 H new ATOM 0 HG SER A 9 13.509 -8.394 -3.453 1.00 3.46 H new ATOM 146 N GLY A 10 14.868 -4.052 -5.713 1.00 3.24 N ATOM 147 CA GLY A 10 15.823 -3.300 -6.574 1.00 3.87 C ATOM 148 C GLY A 10 15.412 -1.837 -6.677 1.00 3.10 C ATOM 149 O GLY A 10 16.265 -0.973 -6.752 1.00 3.00 O ATOM 0 H GLY A 10 14.727 -3.675 -4.776 1.00 3.24 H new ATOM 0 HA2 GLY A 10 16.829 -3.373 -6.161 1.00 3.87 H new ATOM 0 HA3 GLY A 10 15.854 -3.746 -7.568 1.00 3.87 H new ATOM 153 N CYS A 11 14.126 -1.577 -6.709 1.00 2.88 N ATOM 154 CA CYS A 11 13.707 -0.152 -6.806 1.00 2.29 C ATOM 155 C CYS A 11 14.003 0.536 -5.468 1.00 2.59 C ATOM 156 O CYS A 11 14.240 -0.120 -4.470 1.00 3.66 O ATOM 157 CB CYS A 11 12.211 -0.070 -7.124 1.00 1.71 C ATOM 158 SG CYS A 11 11.131 -1.282 -6.332 1.00 1.71 S ATOM 0 H CYS A 11 13.375 -2.266 -6.673 1.00 2.88 H new ATOM 0 HA CYS A 11 14.256 0.346 -7.605 1.00 2.29 H new ATOM 0 HB2 CYS A 11 11.861 0.925 -6.849 1.00 1.71 H new ATOM 0 HB3 CYS A 11 12.089 -0.163 -8.203 1.00 1.71 H new ATOM 163 N PRO A 12 14.054 1.849 -5.491 1.00 2.27 N ATOM 164 CA PRO A 12 13.987 2.646 -4.249 1.00 2.40 C ATOM 165 C PRO A 12 12.583 3.199 -3.984 1.00 2.12 C ATOM 166 O PRO A 12 11.995 2.925 -2.961 1.00 2.37 O ATOM 167 CB PRO A 12 14.982 3.780 -4.508 1.00 2.71 C ATOM 168 CG PRO A 12 15.084 3.927 -6.055 1.00 2.49 C ATOM 169 CD PRO A 12 14.479 2.643 -6.669 1.00 2.36 C ATOM 0 HA PRO A 12 14.220 2.052 -3.365 1.00 2.40 H new ATOM 0 HB2 PRO A 12 14.641 4.709 -4.051 1.00 2.71 H new ATOM 0 HB3 PRO A 12 15.955 3.550 -4.074 1.00 2.71 H new ATOM 0 HG2 PRO A 12 14.543 4.810 -6.396 1.00 2.49 H new ATOM 0 HG3 PRO A 12 16.122 4.051 -6.364 1.00 2.49 H new ATOM 0 HD2 PRO A 12 13.636 2.871 -7.322 1.00 2.36 H new ATOM 0 HD3 PRO A 12 15.211 2.104 -7.270 1.00 2.36 H new ATOM 177 N TYR A 13 12.070 3.953 -4.923 1.00 1.89 N ATOM 178 CA TYR A 13 10.713 4.562 -4.740 1.00 1.79 C ATOM 179 C TYR A 13 9.678 3.566 -4.207 1.00 1.44 C ATOM 180 O TYR A 13 8.784 3.958 -3.492 1.00 1.53 O ATOM 181 CB TYR A 13 10.210 5.157 -6.064 1.00 1.86 C ATOM 182 CG TYR A 13 9.354 6.386 -5.730 1.00 1.70 C ATOM 183 CD1 TYR A 13 8.090 6.244 -5.198 1.00 1.99 C ATOM 184 CD2 TYR A 13 9.878 7.655 -5.865 1.00 2.23 C ATOM 185 CE1 TYR A 13 7.370 7.350 -4.795 1.00 2.53 C ATOM 186 CE2 TYR A 13 9.157 8.761 -5.468 1.00 2.68 C ATOM 187 CZ TYR A 13 7.899 8.617 -4.924 1.00 2.75 C ATOM 188 OH TYR A 13 7.191 9.722 -4.493 1.00 3.55 O ATOM 0 H TYR A 13 12.529 4.174 -5.807 1.00 1.89 H new ATOM 0 HA TYR A 13 10.827 5.348 -3.993 1.00 1.79 H new ATOM 0 HB2 TYR A 13 11.049 5.437 -6.700 1.00 1.86 H new ATOM 0 HB3 TYR A 13 9.624 4.422 -6.615 1.00 1.86 H new ATOM 0 HD1 TYR A 13 7.660 5.259 -5.096 1.00 1.99 H new ATOM 0 HD2 TYR A 13 10.864 7.783 -6.286 1.00 2.23 H new ATOM 0 HE1 TYR A 13 6.383 7.222 -4.375 1.00 2.53 H new ATOM 0 HE2 TYR A 13 9.581 9.747 -5.584 1.00 2.68 H new ATOM 0 HH TYR A 13 6.658 9.483 -3.706 1.00 3.55 H new ATOM 198 N CYS A 14 9.794 2.307 -4.553 1.00 1.19 N ATOM 199 CA CYS A 14 8.775 1.335 -4.030 1.00 0.90 C ATOM 200 C CYS A 14 8.674 1.424 -2.505 1.00 0.66 C ATOM 201 O CYS A 14 7.613 1.203 -1.942 1.00 0.69 O ATOM 202 CB CYS A 14 9.126 -0.094 -4.452 1.00 0.93 C ATOM 203 SG CYS A 14 10.860 -0.594 -4.456 1.00 2.42 S ATOM 0 H CYS A 14 10.521 1.917 -5.153 1.00 1.19 H new ATOM 0 HA CYS A 14 7.808 1.597 -4.458 1.00 0.90 H new ATOM 0 HB2 CYS A 14 8.587 -0.775 -3.794 1.00 0.93 H new ATOM 0 HB3 CYS A 14 8.735 -0.247 -5.458 1.00 0.93 H new ATOM 208 N VAL A 15 9.770 1.746 -1.867 1.00 0.62 N ATOM 209 CA VAL A 15 9.756 1.885 -0.377 1.00 0.60 C ATOM 210 C VAL A 15 8.686 2.909 0.026 1.00 0.60 C ATOM 211 O VAL A 15 7.902 2.668 0.916 1.00 0.78 O ATOM 212 CB VAL A 15 11.128 2.378 0.115 1.00 0.85 C ATOM 213 CG1 VAL A 15 11.094 2.587 1.638 1.00 1.08 C ATOM 214 CG2 VAL A 15 12.178 1.314 -0.207 1.00 1.07 C ATOM 0 H VAL A 15 10.672 1.919 -2.311 1.00 0.62 H new ATOM 0 HA VAL A 15 9.535 0.916 0.071 1.00 0.60 H new ATOM 0 HB VAL A 15 11.371 3.320 -0.377 1.00 0.85 H new ATOM 0 HG11 VAL A 15 12.069 2.936 1.979 1.00 1.08 H new ATOM 0 HG12 VAL A 15 10.335 3.329 1.887 1.00 1.08 H new ATOM 0 HG13 VAL A 15 10.854 1.644 2.129 1.00 1.08 H new ATOM 0 HG21 VAL A 15 13.156 1.652 0.137 1.00 1.07 H new ATOM 0 HG22 VAL A 15 11.918 0.383 0.296 1.00 1.07 H new ATOM 0 HG23 VAL A 15 12.210 1.148 -1.284 1.00 1.07 H new ATOM 224 N ARG A 16 8.713 4.027 -0.659 1.00 0.60 N ATOM 225 CA ARG A 16 7.747 5.145 -0.397 1.00 0.83 C ATOM 226 C ARG A 16 6.342 4.652 -0.056 1.00 0.83 C ATOM 227 O ARG A 16 5.748 5.109 0.899 1.00 1.30 O ATOM 228 CB ARG A 16 7.692 6.042 -1.630 1.00 1.06 C ATOM 229 CG ARG A 16 9.016 6.807 -1.748 1.00 1.62 C ATOM 230 CD ARG A 16 8.858 8.219 -1.163 1.00 2.40 C ATOM 231 NE ARG A 16 8.132 8.176 0.155 1.00 2.36 N ATOM 232 CZ ARG A 16 8.740 8.543 1.246 1.00 2.85 C ATOM 233 NH1 ARG A 16 9.232 9.743 1.289 1.00 4.09 N ATOM 234 NH2 ARG A 16 8.811 7.708 2.238 1.00 3.08 N ATOM 0 H ARG A 16 9.380 4.217 -1.407 1.00 0.60 H new ATOM 0 HA ARG A 16 8.105 5.695 0.473 1.00 0.83 H new ATOM 0 HB2 ARG A 16 7.522 5.443 -2.525 1.00 1.06 H new ATOM 0 HB3 ARG A 16 6.859 6.740 -1.551 1.00 1.06 H new ATOM 0 HG2 ARG A 16 9.804 6.271 -1.219 1.00 1.62 H new ATOM 0 HG3 ARG A 16 9.318 6.869 -2.793 1.00 1.62 H new ATOM 0 HD2 ARG A 16 9.840 8.673 -1.027 1.00 2.40 H new ATOM 0 HD3 ARG A 16 8.310 8.848 -1.864 1.00 2.40 H new ATOM 0 HE ARG A 16 7.163 7.859 0.193 1.00 2.36 H new ATOM 0 HH11 ARG A 16 9.135 10.363 0.485 1.00 4.09 H new ATOM 0 HH12 ARG A 16 9.715 10.066 2.127 1.00 4.09 H new ATOM 0 HH21 ARG A 16 8.394 6.781 2.155 1.00 3.08 H new ATOM 0 HH22 ARG A 16 9.284 7.979 3.100 1.00 3.08 H new ATOM 248 N ALA A 17 5.823 3.753 -0.839 1.00 0.72 N ATOM 249 CA ALA A 17 4.454 3.247 -0.526 1.00 0.68 C ATOM 250 C ALA A 17 4.507 2.393 0.741 1.00 0.66 C ATOM 251 O ALA A 17 3.631 2.466 1.591 1.00 0.71 O ATOM 252 CB ALA A 17 3.951 2.430 -1.709 1.00 0.73 C ATOM 0 H ALA A 17 6.270 3.352 -1.663 1.00 0.72 H new ATOM 0 HA ALA A 17 3.771 4.078 -0.353 1.00 0.68 H new ATOM 0 HB1 ALA A 17 2.951 2.054 -1.493 1.00 0.73 H new ATOM 0 HB2 ALA A 17 3.918 3.060 -2.598 1.00 0.73 H new ATOM 0 HB3 ALA A 17 4.624 1.591 -1.884 1.00 0.73 H new ATOM 258 N LYS A 18 5.562 1.631 0.860 1.00 0.63 N ATOM 259 CA LYS A 18 5.716 0.751 2.048 1.00 0.66 C ATOM 260 C LYS A 18 5.802 1.566 3.341 1.00 0.64 C ATOM 261 O LYS A 18 5.056 1.295 4.250 1.00 0.75 O ATOM 262 CB LYS A 18 6.975 -0.118 1.870 1.00 0.68 C ATOM 263 CG LYS A 18 7.322 -0.865 3.175 1.00 0.85 C ATOM 264 CD LYS A 18 8.357 -0.053 3.974 1.00 1.15 C ATOM 265 CE LYS A 18 8.826 -0.862 5.187 1.00 1.41 C ATOM 266 NZ LYS A 18 9.656 -0.008 6.094 1.00 2.21 N ATOM 0 H LYS A 18 6.323 1.582 0.183 1.00 0.63 H new ATOM 0 HA LYS A 18 4.837 0.112 2.128 1.00 0.66 H new ATOM 0 HB2 LYS A 18 6.814 -0.837 1.067 1.00 0.68 H new ATOM 0 HB3 LYS A 18 7.815 0.510 1.572 1.00 0.68 H new ATOM 0 HG2 LYS A 18 6.422 -1.013 3.772 1.00 0.85 H new ATOM 0 HG3 LYS A 18 7.719 -1.854 2.946 1.00 0.85 H new ATOM 0 HD2 LYS A 18 9.208 0.194 3.339 1.00 1.15 H new ATOM 0 HD3 LYS A 18 7.919 0.890 4.301 1.00 1.15 H new ATOM 0 HE2 LYS A 18 7.964 -1.249 5.730 1.00 1.41 H new ATOM 0 HE3 LYS A 18 9.407 -1.723 4.856 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 9.726 -0.459 7.028 1.00 2.21 H new ATOM 0 HZ2 LYS A 18 10.608 0.103 5.691 1.00 2.21 H new ATOM 0 HZ3 LYS A 18 9.211 0.927 6.194 1.00 2.21 H new ATOM 280 N ASP A 19 6.694 2.532 3.418 1.00 0.57 N ATOM 281 CA ASP A 19 6.786 3.313 4.692 1.00 0.59 C ATOM 282 C ASP A 19 5.413 3.829 5.074 1.00 0.54 C ATOM 283 O ASP A 19 4.991 3.688 6.209 1.00 0.56 O ATOM 284 CB ASP A 19 7.775 4.479 4.559 1.00 0.70 C ATOM 285 CG ASP A 19 7.623 5.234 3.250 1.00 2.01 C ATOM 286 OD1 ASP A 19 6.780 6.121 3.184 1.00 3.29 O ATOM 287 OD2 ASP A 19 8.430 4.925 2.403 1.00 2.90 O ATOM 0 H ASP A 19 7.341 2.805 2.678 1.00 0.57 H new ATOM 0 HA ASP A 19 7.155 2.652 5.476 1.00 0.59 H new ATOM 0 HB2 ASP A 19 7.630 5.169 5.390 1.00 0.70 H new ATOM 0 HB3 ASP A 19 8.793 4.097 4.636 1.00 0.70 H new ATOM 292 N LEU A 20 4.756 4.422 4.116 1.00 0.57 N ATOM 293 CA LEU A 20 3.391 4.942 4.379 1.00 0.57 C ATOM 294 C LEU A 20 2.482 3.836 4.937 1.00 0.55 C ATOM 295 O LEU A 20 1.999 3.957 6.052 1.00 0.58 O ATOM 296 CB LEU A 20 2.800 5.507 3.077 1.00 0.63 C ATOM 297 CG LEU A 20 1.321 5.908 3.284 1.00 0.59 C ATOM 298 CD1 LEU A 20 1.168 6.776 4.547 1.00 0.73 C ATOM 299 CD2 LEU A 20 0.825 6.700 2.069 1.00 0.73 C ATOM 0 H LEU A 20 5.105 4.567 3.169 1.00 0.57 H new ATOM 0 HA LEU A 20 3.455 5.735 5.125 1.00 0.57 H new ATOM 0 HB2 LEU A 20 3.377 6.374 2.755 1.00 0.63 H new ATOM 0 HB3 LEU A 20 2.874 4.763 2.284 1.00 0.63 H new ATOM 0 HG LEU A 20 0.731 4.999 3.402 1.00 0.59 H new ATOM 0 HD11 LEU A 20 0.121 7.049 4.676 1.00 0.73 H new ATOM 0 HD12 LEU A 20 1.507 6.215 5.418 1.00 0.73 H new ATOM 0 HD13 LEU A 20 1.768 7.680 4.442 1.00 0.73 H new ATOM 0 HD21 LEU A 20 -0.218 6.981 2.219 1.00 0.73 H new ATOM 0 HD22 LEU A 20 1.429 7.599 1.949 1.00 0.73 H new ATOM 0 HD23 LEU A 20 0.910 6.084 1.174 1.00 0.73 H new ATOM 311 N ALA A 21 2.252 2.791 4.171 1.00 0.59 N ATOM 312 CA ALA A 21 1.362 1.701 4.688 1.00 0.66 C ATOM 313 C ALA A 21 1.860 1.205 6.050 1.00 0.64 C ATOM 314 O ALA A 21 1.082 1.016 6.965 1.00 0.65 O ATOM 315 CB ALA A 21 1.346 0.542 3.684 1.00 0.84 C ATOM 0 H ALA A 21 2.631 2.648 3.235 1.00 0.59 H new ATOM 0 HA ALA A 21 0.352 2.093 4.811 1.00 0.66 H new ATOM 0 HB1 ALA A 21 0.700 -0.253 4.056 1.00 0.84 H new ATOM 0 HB2 ALA A 21 0.969 0.897 2.725 1.00 0.84 H new ATOM 0 HB3 ALA A 21 2.358 0.157 3.556 1.00 0.84 H new ATOM 321 N GLU A 22 3.138 0.981 6.132 1.00 0.71 N ATOM 322 CA GLU A 22 3.757 0.500 7.396 1.00 0.82 C ATOM 323 C GLU A 22 3.285 1.347 8.578 1.00 0.77 C ATOM 324 O GLU A 22 2.604 0.850 9.447 1.00 0.96 O ATOM 325 CB GLU A 22 5.282 0.599 7.241 1.00 0.98 C ATOM 326 CG GLU A 22 5.984 -0.074 8.427 1.00 1.11 C ATOM 327 CD GLU A 22 7.497 -0.072 8.192 1.00 1.43 C ATOM 328 OE1 GLU A 22 8.062 1.009 8.181 1.00 2.80 O ATOM 329 OE2 GLU A 22 8.026 -1.144 7.976 1.00 1.81 O ATOM 0 H GLU A 22 3.793 1.113 5.362 1.00 0.71 H new ATOM 0 HA GLU A 22 3.464 -0.532 7.591 1.00 0.82 H new ATOM 0 HB2 GLU A 22 5.591 0.124 6.310 1.00 0.98 H new ATOM 0 HB3 GLU A 22 5.581 1.645 7.179 1.00 0.98 H new ATOM 0 HG2 GLU A 22 5.748 0.454 9.351 1.00 1.11 H new ATOM 0 HG3 GLU A 22 5.625 -1.096 8.544 1.00 1.11 H new ATOM 336 N LYS A 23 3.652 2.600 8.561 1.00 0.75 N ATOM 337 CA LYS A 23 3.276 3.533 9.661 1.00 0.90 C ATOM 338 C LYS A 23 1.848 3.297 10.174 1.00 0.89 C ATOM 339 O LYS A 23 1.662 3.015 11.334 1.00 1.16 O ATOM 340 CB LYS A 23 3.424 4.959 9.121 1.00 1.02 C ATOM 341 CG LYS A 23 3.143 5.984 10.222 1.00 1.34 C ATOM 342 CD LYS A 23 3.345 7.393 9.629 1.00 2.07 C ATOM 343 CE LYS A 23 2.731 8.438 10.554 1.00 3.23 C ATOM 344 NZ LYS A 23 1.319 8.066 10.821 1.00 3.78 N ATOM 0 H LYS A 23 4.207 3.023 7.817 1.00 0.75 H new ATOM 0 HA LYS A 23 3.932 3.362 10.515 1.00 0.90 H new ATOM 0 HB2 LYS A 23 4.432 5.103 8.731 1.00 1.02 H new ATOM 0 HB3 LYS A 23 2.736 5.112 8.290 1.00 1.02 H new ATOM 0 HG2 LYS A 23 2.126 5.871 10.596 1.00 1.34 H new ATOM 0 HG3 LYS A 23 3.813 5.827 11.068 1.00 1.34 H new ATOM 0 HD2 LYS A 23 4.408 7.592 9.496 1.00 2.07 H new ATOM 0 HD3 LYS A 23 2.884 7.452 8.643 1.00 2.07 H new ATOM 0 HE2 LYS A 23 3.291 8.492 11.488 1.00 3.23 H new ATOM 0 HE3 LYS A 23 2.781 9.425 10.095 1.00 3.23 H new ATOM 0 HZ1 LYS A 23 0.731 8.924 10.835 1.00 3.78 H new ATOM 0 HZ2 LYS A 23 0.981 7.426 10.074 1.00 3.78 H new ATOM 0 HZ3 LYS A 23 1.254 7.587 11.742 1.00 3.78 H new ATOM 358 N LEU A 24 0.892 3.445 9.296 1.00 0.73 N ATOM 359 CA LEU A 24 -0.557 3.263 9.660 1.00 0.76 C ATOM 360 C LEU A 24 -0.828 2.176 10.699 1.00 0.82 C ATOM 361 O LEU A 24 -1.627 2.369 11.601 1.00 0.85 O ATOM 362 CB LEU A 24 -1.321 2.945 8.379 1.00 0.77 C ATOM 363 CG LEU A 24 -1.671 4.254 7.679 1.00 1.01 C ATOM 364 CD1 LEU A 24 -2.104 3.951 6.242 1.00 0.98 C ATOM 365 CD2 LEU A 24 -2.832 4.925 8.436 1.00 1.42 C ATOM 0 H LEU A 24 1.052 3.690 8.319 1.00 0.73 H new ATOM 0 HA LEU A 24 -0.887 4.191 10.127 1.00 0.76 H new ATOM 0 HB2 LEU A 24 -0.716 2.317 7.725 1.00 0.77 H new ATOM 0 HB3 LEU A 24 -2.228 2.386 8.609 1.00 0.77 H new ATOM 0 HG LEU A 24 -0.807 4.918 7.666 1.00 1.01 H new ATOM 0 HD11 LEU A 24 -2.356 4.882 5.734 1.00 0.98 H new ATOM 0 HD12 LEU A 24 -1.289 3.458 5.713 1.00 0.98 H new ATOM 0 HD13 LEU A 24 -2.976 3.297 6.255 1.00 0.98 H new ATOM 0 HD21 LEU A 24 -3.092 5.863 7.945 1.00 1.42 H new ATOM 0 HD22 LEU A 24 -3.698 4.263 8.436 1.00 1.42 H new ATOM 0 HD23 LEU A 24 -2.529 5.125 9.464 1.00 1.42 H new ATOM 377 N SER A 25 -0.200 1.058 10.511 1.00 0.91 N ATOM 378 CA SER A 25 -0.404 -0.073 11.465 1.00 1.02 C ATOM 379 C SER A 25 -0.249 0.412 12.917 1.00 1.17 C ATOM 380 O SER A 25 -0.989 0.006 13.780 1.00 1.44 O ATOM 381 CB SER A 25 0.617 -1.181 11.179 1.00 1.25 C ATOM 382 OG SER A 25 1.861 -0.628 11.576 1.00 3.03 O ATOM 0 H SER A 25 0.445 0.871 9.743 1.00 0.91 H new ATOM 0 HA SER A 25 -1.413 -0.464 11.333 1.00 1.02 H new ATOM 0 HB2 SER A 25 0.388 -2.087 11.741 1.00 1.25 H new ATOM 0 HB3 SER A 25 0.622 -1.453 10.124 1.00 1.25 H new ATOM 0 HG SER A 25 2.326 -0.272 10.791 1.00 3.03 H new ATOM 388 N ASN A 26 0.700 1.293 13.141 1.00 1.18 N ATOM 389 CA ASN A 26 0.944 1.821 14.528 1.00 1.39 C ATOM 390 C ASN A 26 0.354 3.226 14.671 1.00 1.35 C ATOM 391 O ASN A 26 0.788 4.002 15.506 1.00 1.94 O ATOM 392 CB ASN A 26 2.463 1.930 14.779 1.00 1.55 C ATOM 393 CG ASN A 26 3.128 0.556 14.828 1.00 1.80 C ATOM 394 OD1 ASN A 26 4.023 0.323 15.602 1.00 2.23 O ATOM 395 ND2 ASN A 26 2.757 -0.371 14.010 1.00 3.00 N ATOM 0 H ASN A 26 1.318 1.671 12.423 1.00 1.18 H new ATOM 0 HA ASN A 26 0.478 1.140 15.240 1.00 1.39 H new ATOM 0 HB2 ASN A 26 2.920 2.527 13.990 1.00 1.55 H new ATOM 0 HB3 ASN A 26 2.640 2.454 15.719 1.00 1.55 H new ATOM 0 HD21 ASN A 26 3.219 -1.280 14.026 1.00 3.00 H new ATOM 0 HD22 ASN A 26 2.002 -0.194 13.347 1.00 3.00 H new ATOM 402 N GLU A 27 -0.611 3.531 13.854 1.00 1.23 N ATOM 403 CA GLU A 27 -1.223 4.885 13.910 1.00 1.32 C ATOM 404 C GLU A 27 -2.755 4.826 13.970 1.00 1.48 C ATOM 405 O GLU A 27 -3.352 5.529 14.766 1.00 1.87 O ATOM 406 CB GLU A 27 -0.693 5.653 12.681 1.00 1.37 C ATOM 407 CG GLU A 27 -1.784 6.434 11.930 1.00 2.79 C ATOM 408 CD GLU A 27 -1.146 7.145 10.734 1.00 2.72 C ATOM 409 OE1 GLU A 27 -0.544 6.433 9.942 1.00 3.23 O ATOM 410 OE2 GLU A 27 -1.211 8.362 10.717 1.00 3.29 O ATOM 0 H GLU A 27 -1.002 2.904 13.151 1.00 1.23 H new ATOM 0 HA GLU A 27 -0.943 5.405 14.826 1.00 1.32 H new ATOM 0 HB2 GLU A 27 0.083 6.347 13.003 1.00 1.37 H new ATOM 0 HB3 GLU A 27 -0.225 4.947 11.995 1.00 1.37 H new ATOM 0 HG2 GLU A 27 -2.568 5.757 11.592 1.00 2.79 H new ATOM 0 HG3 GLU A 27 -2.254 7.160 12.594 1.00 2.79 H new ATOM 417 N ARG A 28 -3.359 3.987 13.166 1.00 1.39 N ATOM 418 CA ARG A 28 -4.854 3.931 13.188 1.00 1.65 C ATOM 419 C ARG A 28 -5.372 2.657 13.857 1.00 1.75 C ATOM 420 O ARG A 28 -6.505 2.622 14.263 1.00 3.16 O ATOM 421 CB ARG A 28 -5.378 4.014 11.756 1.00 1.74 C ATOM 422 CG ARG A 28 -6.800 4.590 11.784 1.00 2.21 C ATOM 423 CD ARG A 28 -7.327 4.667 10.354 1.00 2.41 C ATOM 424 NE ARG A 28 -8.691 4.066 10.335 1.00 3.84 N ATOM 425 CZ ARG A 28 -9.731 4.727 9.948 1.00 4.49 C ATOM 426 NH1 ARG A 28 -9.810 5.996 10.177 1.00 4.60 N ATOM 427 NH2 ARG A 28 -10.674 4.080 9.349 1.00 5.62 N ATOM 0 H ARG A 28 -2.898 3.354 12.512 1.00 1.39 H new ATOM 0 HA ARG A 28 -5.216 4.775 13.775 1.00 1.65 H new ATOM 0 HB2 ARG A 28 -4.727 4.645 11.151 1.00 1.74 H new ATOM 0 HB3 ARG A 28 -5.380 3.026 11.297 1.00 1.74 H new ATOM 0 HG2 ARG A 28 -7.450 3.961 12.393 1.00 2.21 H new ATOM 0 HG3 ARG A 28 -6.797 5.580 12.239 1.00 2.21 H new ATOM 0 HD2 ARG A 28 -7.362 5.703 10.015 1.00 2.41 H new ATOM 0 HD3 ARG A 28 -6.665 4.131 9.674 1.00 2.41 H new ATOM 0 HE ARG A 28 -8.807 3.099 10.638 1.00 3.84 H new ATOM 0 HH11 ARG A 28 -9.052 6.475 10.663 1.00 4.60 H new ATOM 0 HH12 ARG A 28 -10.631 6.519 9.872 1.00 4.60 H new ATOM 0 HH21 ARG A 28 -10.585 3.076 9.194 1.00 5.62 H new ATOM 0 HH22 ARG A 28 -11.508 4.573 9.031 1.00 5.62 H new ATOM 441 N ASP A 29 -4.562 1.626 13.858 1.00 1.83 N ATOM 442 CA ASP A 29 -4.933 0.316 14.510 1.00 2.00 C ATOM 443 C ASP A 29 -5.770 -0.574 13.571 1.00 1.53 C ATOM 444 O ASP A 29 -5.690 -1.781 13.649 1.00 1.80 O ATOM 445 CB ASP A 29 -5.683 0.566 15.843 1.00 2.80 C ATOM 446 CG ASP A 29 -5.850 -0.743 16.622 1.00 3.72 C ATOM 447 OD1 ASP A 29 -4.820 -1.315 16.941 1.00 4.96 O ATOM 448 OD2 ASP A 29 -6.997 -1.084 16.876 1.00 4.18 O ATOM 0 H ASP A 29 -3.638 1.631 13.426 1.00 1.83 H new ATOM 0 HA ASP A 29 -4.008 -0.219 14.725 1.00 2.00 H new ATOM 0 HB2 ASP A 29 -5.132 1.287 16.447 1.00 2.80 H new ATOM 0 HB3 ASP A 29 -6.661 1.002 15.640 1.00 2.80 H new ATOM 453 N ASP A 30 -6.502 0.022 12.654 1.00 1.62 N ATOM 454 CA ASP A 30 -7.350 -0.798 11.708 1.00 1.54 C ATOM 455 C ASP A 30 -6.669 -0.940 10.340 1.00 1.33 C ATOM 456 O ASP A 30 -7.308 -1.311 9.364 1.00 1.82 O ATOM 457 CB ASP A 30 -8.692 -0.075 11.461 1.00 2.15 C ATOM 458 CG ASP A 30 -8.477 1.134 10.527 1.00 3.77 C ATOM 459 OD1 ASP A 30 -7.382 1.677 10.557 1.00 4.73 O ATOM 460 OD2 ASP A 30 -9.438 1.501 9.860 1.00 4.60 O ATOM 0 H ASP A 30 -6.552 1.031 12.516 1.00 1.62 H new ATOM 0 HA ASP A 30 -7.495 -1.778 12.163 1.00 1.54 H new ATOM 0 HB2 ASP A 30 -9.410 -0.765 11.017 1.00 2.15 H new ATOM 0 HB3 ASP A 30 -9.115 0.258 12.409 1.00 2.15 H new ATOM 465 N PHE A 31 -5.398 -0.673 10.288 1.00 1.13 N ATOM 466 CA PHE A 31 -4.702 -0.756 8.980 1.00 0.86 C ATOM 467 C PHE A 31 -3.692 -1.898 8.939 1.00 0.78 C ATOM 468 O PHE A 31 -2.734 -1.918 9.694 1.00 0.83 O ATOM 469 CB PHE A 31 -3.982 0.566 8.752 1.00 0.78 C ATOM 470 CG PHE A 31 -3.343 0.538 7.365 1.00 0.59 C ATOM 471 CD1 PHE A 31 -4.079 0.878 6.248 1.00 0.60 C ATOM 472 CD2 PHE A 31 -2.024 0.159 7.216 1.00 0.58 C ATOM 473 CE1 PHE A 31 -3.502 0.847 4.999 1.00 0.64 C ATOM 474 CE2 PHE A 31 -1.452 0.124 5.970 1.00 0.53 C ATOM 475 CZ PHE A 31 -2.185 0.469 4.865 1.00 0.58 C ATOM 0 H PHE A 31 -4.818 -0.404 11.083 1.00 1.13 H new ATOM 0 HA PHE A 31 -5.439 -0.950 8.200 1.00 0.86 H new ATOM 0 HB2 PHE A 31 -4.683 1.397 8.829 1.00 0.78 H new ATOM 0 HB3 PHE A 31 -3.220 0.719 9.517 1.00 0.78 H new ATOM 0 HD1 PHE A 31 -5.113 1.170 6.355 1.00 0.60 H new ATOM 0 HD2 PHE A 31 -1.440 -0.111 8.084 1.00 0.58 H new ATOM 0 HE1 PHE A 31 -4.080 1.118 4.128 1.00 0.64 H new ATOM 0 HE2 PHE A 31 -0.421 -0.176 5.859 1.00 0.53 H new ATOM 0 HZ PHE A 31 -1.729 0.444 3.887 1.00 0.58 H new ATOM 485 N GLN A 32 -3.916 -2.815 8.032 1.00 0.85 N ATOM 486 CA GLN A 32 -2.991 -3.970 7.887 1.00 0.82 C ATOM 487 C GLN A 32 -2.419 -3.916 6.472 1.00 0.79 C ATOM 488 O GLN A 32 -3.070 -3.434 5.556 1.00 1.27 O ATOM 489 CB GLN A 32 -3.773 -5.278 8.084 1.00 0.98 C ATOM 490 CG GLN A 32 -4.722 -5.121 9.279 1.00 1.44 C ATOM 491 CD GLN A 32 -5.413 -6.454 9.570 1.00 2.02 C ATOM 492 OE1 GLN A 32 -5.963 -7.086 8.693 1.00 2.80 O ATOM 493 NE2 GLN A 32 -5.417 -6.905 10.785 1.00 2.71 N ATOM 0 H GLN A 32 -4.704 -2.810 7.385 1.00 0.85 H new ATOM 0 HA GLN A 32 -2.192 -3.929 8.627 1.00 0.82 H new ATOM 0 HB2 GLN A 32 -4.339 -5.517 7.184 1.00 0.98 H new ATOM 0 HB3 GLN A 32 -3.085 -6.105 8.257 1.00 0.98 H new ATOM 0 HG2 GLN A 32 -4.166 -4.790 10.156 1.00 1.44 H new ATOM 0 HG3 GLN A 32 -5.466 -4.354 9.066 1.00 1.44 H new ATOM 0 HE21 GLN A 32 -4.956 -6.377 11.526 1.00 2.71 H new ATOM 0 HE22 GLN A 32 -5.881 -7.787 11.000 1.00 2.71 H new ATOM 502 N TYR A 33 -1.209 -4.365 6.304 1.00 0.58 N ATOM 503 CA TYR A 33 -0.613 -4.338 4.943 1.00 0.52 C ATOM 504 C TYR A 33 0.369 -5.493 4.757 1.00 0.55 C ATOM 505 O TYR A 33 0.856 -6.071 5.710 1.00 0.63 O ATOM 506 CB TYR A 33 0.122 -3.005 4.726 1.00 0.54 C ATOM 507 CG TYR A 33 1.424 -2.991 5.532 1.00 0.57 C ATOM 508 CD1 TYR A 33 1.422 -2.669 6.877 1.00 0.69 C ATOM 509 CD2 TYR A 33 2.611 -3.374 4.933 1.00 0.77 C ATOM 510 CE1 TYR A 33 2.589 -2.743 7.608 1.00 0.90 C ATOM 511 CE2 TYR A 33 3.772 -3.447 5.669 1.00 0.99 C ATOM 512 CZ TYR A 33 3.770 -3.136 7.010 1.00 1.02 C ATOM 513 OH TYR A 33 4.933 -3.227 7.745 1.00 1.32 O ATOM 0 H TYR A 33 -0.613 -4.745 7.040 1.00 0.58 H new ATOM 0 HA TYR A 33 -1.417 -4.441 4.214 1.00 0.52 H new ATOM 0 HB2 TYR A 33 0.338 -2.867 3.667 1.00 0.54 H new ATOM 0 HB3 TYR A 33 -0.514 -2.175 5.032 1.00 0.54 H new ATOM 0 HD1 TYR A 33 0.505 -2.359 7.356 1.00 0.69 H new ATOM 0 HD2 TYR A 33 2.627 -3.617 3.881 1.00 0.77 H new ATOM 0 HE1 TYR A 33 2.579 -2.491 8.658 1.00 0.90 H new ATOM 0 HE2 TYR A 33 4.691 -3.751 5.191 1.00 0.99 H new ATOM 0 HH TYR A 33 5.666 -3.519 7.163 1.00 1.32 H new ATOM 523 N GLN A 34 0.577 -5.816 3.521 1.00 0.53 N ATOM 524 CA GLN A 34 1.534 -6.895 3.153 1.00 0.58 C ATOM 525 C GLN A 34 2.357 -6.381 1.962 1.00 0.51 C ATOM 526 O GLN A 34 1.916 -5.490 1.250 1.00 0.58 O ATOM 527 CB GLN A 34 0.731 -8.159 2.782 1.00 0.71 C ATOM 528 CG GLN A 34 1.652 -9.368 2.535 1.00 1.19 C ATOM 529 CD GLN A 34 2.599 -9.560 3.721 1.00 2.57 C ATOM 530 OE1 GLN A 34 3.669 -8.991 3.756 1.00 3.55 O ATOM 531 NE2 GLN A 34 2.243 -10.318 4.718 1.00 3.75 N ATOM 0 H GLN A 34 0.116 -5.370 2.728 1.00 0.53 H new ATOM 0 HA GLN A 34 2.204 -7.151 3.973 1.00 0.58 H new ATOM 0 HB2 GLN A 34 0.031 -8.393 3.584 1.00 0.71 H new ATOM 0 HB3 GLN A 34 0.139 -7.964 1.888 1.00 0.71 H new ATOM 0 HG2 GLN A 34 1.053 -10.267 2.389 1.00 1.19 H new ATOM 0 HG3 GLN A 34 2.227 -9.216 1.622 1.00 1.19 H new ATOM 0 HE21 GLN A 34 1.344 -10.800 4.697 1.00 3.75 H new ATOM 0 HE22 GLN A 34 2.863 -10.430 5.521 1.00 3.75 H new ATOM 540 N TYR A 35 3.527 -6.917 1.751 1.00 0.51 N ATOM 541 CA TYR A 35 4.323 -6.416 0.587 1.00 0.53 C ATOM 542 C TYR A 35 4.340 -7.484 -0.500 1.00 0.54 C ATOM 543 O TYR A 35 4.373 -8.662 -0.196 1.00 0.68 O ATOM 544 CB TYR A 35 5.766 -6.104 1.006 1.00 0.64 C ATOM 545 CG TYR A 35 6.429 -5.311 -0.133 1.00 0.68 C ATOM 546 CD1 TYR A 35 6.999 -5.967 -1.207 1.00 0.92 C ATOM 547 CD2 TYR A 35 6.374 -3.930 -0.154 1.00 0.81 C ATOM 548 CE1 TYR A 35 7.495 -5.260 -2.286 1.00 1.08 C ATOM 549 CE2 TYR A 35 6.873 -3.225 -1.233 1.00 0.96 C ATOM 550 CZ TYR A 35 7.436 -3.883 -2.307 1.00 1.03 C ATOM 551 OH TYR A 35 7.943 -3.170 -3.375 1.00 1.26 O ATOM 0 H TYR A 35 3.958 -7.654 2.309 1.00 0.51 H new ATOM 0 HA TYR A 35 3.862 -5.501 0.216 1.00 0.53 H new ATOM 0 HB2 TYR A 35 5.778 -5.526 1.930 1.00 0.64 H new ATOM 0 HB3 TYR A 35 6.315 -7.026 1.199 1.00 0.64 H new ATOM 0 HD1 TYR A 35 7.058 -7.045 -1.203 1.00 0.92 H new ATOM 0 HD2 TYR A 35 5.938 -3.398 0.679 1.00 0.81 H new ATOM 0 HE1 TYR A 35 7.932 -5.790 -3.119 1.00 1.08 H new ATOM 0 HE2 TYR A 35 6.822 -2.146 -1.235 1.00 0.96 H new ATOM 0 HH TYR A 35 8.327 -3.790 -4.030 1.00 1.26 H new ATOM 561 N VAL A 36 4.318 -7.048 -1.732 1.00 0.47 N ATOM 562 CA VAL A 36 4.334 -7.988 -2.880 1.00 0.50 C ATOM 563 C VAL A 36 5.425 -7.537 -3.858 1.00 0.54 C ATOM 564 O VAL A 36 5.508 -6.365 -4.201 1.00 0.66 O ATOM 565 CB VAL A 36 2.918 -7.957 -3.504 1.00 0.48 C ATOM 566 CG1 VAL A 36 2.955 -8.128 -5.030 1.00 0.52 C ATOM 567 CG2 VAL A 36 2.090 -9.103 -2.905 1.00 0.55 C ATOM 0 H VAL A 36 4.289 -6.062 -1.991 1.00 0.47 H new ATOM 0 HA VAL A 36 4.565 -9.013 -2.591 1.00 0.50 H new ATOM 0 HB VAL A 36 2.476 -6.986 -3.282 1.00 0.48 H new ATOM 0 HG11 VAL A 36 1.939 -8.100 -5.424 1.00 0.52 H new ATOM 0 HG12 VAL A 36 3.538 -7.321 -5.473 1.00 0.52 H new ATOM 0 HG13 VAL A 36 3.414 -9.085 -5.278 1.00 0.52 H new ATOM 0 HG21 VAL A 36 1.089 -9.093 -3.336 1.00 0.55 H new ATOM 0 HG22 VAL A 36 2.572 -10.055 -3.128 1.00 0.55 H new ATOM 0 HG23 VAL A 36 2.021 -8.976 -1.825 1.00 0.55 H new ATOM 577 N ASP A 37 6.260 -8.465 -4.243 1.00 0.49 N ATOM 578 CA ASP A 37 7.362 -8.155 -5.199 1.00 0.58 C ATOM 579 C ASP A 37 6.987 -8.825 -6.514 1.00 0.68 C ATOM 580 O ASP A 37 6.912 -10.035 -6.604 1.00 1.01 O ATOM 581 CB ASP A 37 8.690 -8.712 -4.648 1.00 0.63 C ATOM 582 CG ASP A 37 9.693 -9.000 -5.773 1.00 1.15 C ATOM 583 OD1 ASP A 37 10.108 -8.062 -6.419 1.00 1.64 O ATOM 584 OD2 ASP A 37 10.013 -10.156 -5.909 1.00 2.48 O ATOM 0 H ASP A 37 6.225 -9.436 -3.932 1.00 0.49 H new ATOM 0 HA ASP A 37 7.494 -7.083 -5.342 1.00 0.58 H new ATOM 0 HB2 ASP A 37 9.123 -7.997 -3.949 1.00 0.63 H new ATOM 0 HB3 ASP A 37 8.497 -9.628 -4.089 1.00 0.63 H new ATOM 589 N ILE A 38 6.771 -8.043 -7.522 1.00 0.68 N ATOM 590 CA ILE A 38 6.373 -8.656 -8.822 1.00 0.82 C ATOM 591 C ILE A 38 7.465 -9.586 -9.376 1.00 0.75 C ATOM 592 O ILE A 38 7.229 -10.274 -10.348 1.00 0.92 O ATOM 593 CB ILE A 38 6.018 -7.553 -9.820 1.00 1.14 C ATOM 594 CG1 ILE A 38 7.192 -6.592 -9.970 1.00 1.30 C ATOM 595 CG2 ILE A 38 4.785 -6.800 -9.286 1.00 1.39 C ATOM 596 CD1 ILE A 38 6.943 -5.681 -11.176 1.00 1.73 C ATOM 0 H ILE A 38 6.848 -7.026 -7.513 1.00 0.68 H new ATOM 0 HA ILE A 38 5.494 -9.278 -8.655 1.00 0.82 H new ATOM 0 HB ILE A 38 5.799 -7.984 -10.797 1.00 1.14 H new ATOM 0 HG12 ILE A 38 7.307 -5.995 -9.065 1.00 1.30 H new ATOM 0 HG13 ILE A 38 8.119 -7.149 -10.105 1.00 1.30 H new ATOM 0 HG21 ILE A 38 4.513 -6.007 -9.983 1.00 1.39 H new ATOM 0 HG22 ILE A 38 3.951 -7.494 -9.183 1.00 1.39 H new ATOM 0 HG23 ILE A 38 5.017 -6.365 -8.314 1.00 1.39 H new ATOM 0 HD11 ILE A 38 7.779 -4.991 -11.289 1.00 1.73 H new ATOM 0 HD12 ILE A 38 6.848 -6.287 -12.077 1.00 1.73 H new ATOM 0 HD13 ILE A 38 6.024 -5.116 -11.021 1.00 1.73 H new ATOM 608 N ARG A 39 8.618 -9.604 -8.737 1.00 0.80 N ATOM 609 CA ARG A 39 9.729 -10.500 -9.192 1.00 0.87 C ATOM 610 C ARG A 39 9.626 -11.840 -8.440 1.00 0.86 C ATOM 611 O ARG A 39 10.330 -12.780 -8.747 1.00 1.22 O ATOM 612 CB ARG A 39 11.089 -9.841 -8.873 1.00 1.04 C ATOM 613 CG ARG A 39 12.215 -10.581 -9.616 1.00 1.94 C ATOM 614 CD ARG A 39 13.563 -10.401 -8.890 1.00 2.54 C ATOM 615 NE ARG A 39 13.513 -11.105 -7.563 1.00 3.22 N ATOM 616 CZ ARG A 39 13.769 -10.442 -6.472 1.00 3.98 C ATOM 617 NH1 ARG A 39 15.010 -10.255 -6.131 1.00 4.94 N ATOM 618 NH2 ARG A 39 12.769 -9.994 -5.782 1.00 4.65 N ATOM 0 H ARG A 39 8.834 -9.034 -7.919 1.00 0.80 H new ATOM 0 HA ARG A 39 9.652 -10.666 -10.266 1.00 0.87 H new ATOM 0 HB2 ARG A 39 11.073 -8.792 -9.169 1.00 1.04 H new ATOM 0 HB3 ARG A 39 11.272 -9.866 -7.799 1.00 1.04 H new ATOM 0 HG2 ARG A 39 11.974 -11.642 -9.686 1.00 1.94 H new ATOM 0 HG3 ARG A 39 12.293 -10.203 -10.636 1.00 1.94 H new ATOM 0 HD2 ARG A 39 14.373 -10.804 -9.498 1.00 2.54 H new ATOM 0 HD3 ARG A 39 13.771 -9.341 -8.744 1.00 2.54 H new ATOM 0 HE ARG A 39 13.280 -12.097 -7.517 1.00 3.22 H new ATOM 0 HH11 ARG A 39 15.760 -10.625 -6.714 1.00 4.94 H new ATOM 0 HH12 ARG A 39 15.233 -9.738 -5.280 1.00 4.94 H new ATOM 0 HH21 ARG A 39 11.814 -10.164 -6.098 1.00 4.65 H new ATOM 0 HH22 ARG A 39 12.936 -9.471 -4.922 1.00 4.65 H new ATOM 632 N ALA A 40 8.773 -11.883 -7.452 1.00 0.91 N ATOM 633 CA ALA A 40 8.572 -13.128 -6.658 1.00 1.02 C ATOM 634 C ALA A 40 7.326 -13.804 -7.200 1.00 1.05 C ATOM 635 O ALA A 40 7.295 -15.005 -7.397 1.00 1.21 O ATOM 636 CB ALA A 40 8.354 -12.778 -5.183 1.00 1.09 C ATOM 0 H ALA A 40 8.198 -11.094 -7.157 1.00 0.91 H new ATOM 0 HA ALA A 40 9.443 -13.778 -6.735 1.00 1.02 H new ATOM 0 HB1 ALA A 40 8.208 -13.693 -4.610 1.00 1.09 H new ATOM 0 HB2 ALA A 40 9.226 -12.247 -4.802 1.00 1.09 H new ATOM 0 HB3 ALA A 40 7.472 -12.144 -5.086 1.00 1.09 H new ATOM 642 N GLU A 41 6.323 -12.996 -7.420 1.00 0.95 N ATOM 643 CA GLU A 41 5.054 -13.545 -7.978 1.00 1.07 C ATOM 644 C GLU A 41 5.303 -13.842 -9.454 1.00 1.10 C ATOM 645 O GLU A 41 4.861 -14.844 -9.973 1.00 1.35 O ATOM 646 CB GLU A 41 3.905 -12.520 -7.866 1.00 1.08 C ATOM 647 CG GLU A 41 3.962 -11.747 -6.532 1.00 1.39 C ATOM 648 CD GLU A 41 3.949 -12.680 -5.311 1.00 1.75 C ATOM 649 OE1 GLU A 41 3.565 -13.823 -5.485 1.00 2.92 O ATOM 650 OE2 GLU A 41 4.305 -12.172 -4.258 1.00 2.73 O ATOM 0 H GLU A 41 6.327 -11.992 -7.240 1.00 0.95 H new ATOM 0 HA GLU A 41 4.766 -14.438 -7.423 1.00 1.07 H new ATOM 0 HB2 GLU A 41 3.961 -11.817 -8.697 1.00 1.08 H new ATOM 0 HB3 GLU A 41 2.948 -13.035 -7.948 1.00 1.08 H new ATOM 0 HG2 GLU A 41 4.864 -11.135 -6.508 1.00 1.39 H new ATOM 0 HG3 GLU A 41 3.113 -11.066 -6.474 1.00 1.39 H new ATOM 657 N GLY A 42 5.996 -12.937 -10.098 1.00 1.03 N ATOM 658 CA GLY A 42 6.306 -13.130 -11.544 1.00 1.15 C ATOM 659 C GLY A 42 5.299 -12.349 -12.373 1.00 1.17 C ATOM 660 O GLY A 42 4.650 -12.897 -13.241 1.00 1.32 O ATOM 0 H GLY A 42 6.358 -12.077 -9.686 1.00 1.03 H new ATOM 0 HA2 GLY A 42 7.318 -12.789 -11.761 1.00 1.15 H new ATOM 0 HA3 GLY A 42 6.265 -14.189 -11.800 1.00 1.15 H new ATOM 664 N ILE A 43 5.214 -11.077 -12.092 1.00 1.07 N ATOM 665 CA ILE A 43 4.242 -10.207 -12.828 1.00 1.15 C ATOM 666 C ILE A 43 4.993 -9.176 -13.670 1.00 1.23 C ATOM 667 O ILE A 43 6.107 -8.790 -13.339 1.00 1.26 O ATOM 668 CB ILE A 43 3.348 -9.490 -11.797 1.00 1.15 C ATOM 669 CG1 ILE A 43 2.624 -10.545 -10.946 1.00 1.28 C ATOM 670 CG2 ILE A 43 2.306 -8.605 -12.516 1.00 1.29 C ATOM 671 CD1 ILE A 43 2.124 -9.913 -9.638 1.00 1.33 C ATOM 0 H ILE A 43 5.774 -10.599 -11.386 1.00 1.07 H new ATOM 0 HA ILE A 43 3.630 -10.817 -13.493 1.00 1.15 H new ATOM 0 HB ILE A 43 3.967 -8.857 -11.162 1.00 1.15 H new ATOM 0 HG12 ILE A 43 1.784 -10.960 -11.503 1.00 1.28 H new ATOM 0 HG13 ILE A 43 3.299 -11.372 -10.725 1.00 1.28 H new ATOM 0 HG21 ILE A 43 1.681 -8.104 -11.776 1.00 1.29 H new ATOM 0 HG22 ILE A 43 2.819 -7.859 -13.122 1.00 1.29 H new ATOM 0 HG23 ILE A 43 1.681 -9.227 -13.157 1.00 1.29 H new ATOM 0 HD11 ILE A 43 1.612 -10.668 -9.041 1.00 1.33 H new ATOM 0 HD12 ILE A 43 2.972 -9.520 -9.076 1.00 1.33 H new ATOM 0 HD13 ILE A 43 1.433 -9.102 -9.867 1.00 1.33 H new ATOM 683 N THR A 44 4.349 -8.730 -14.713 1.00 1.36 N ATOM 684 CA THR A 44 4.964 -7.726 -15.621 1.00 1.54 C ATOM 685 C THR A 44 4.159 -6.429 -15.557 1.00 1.67 C ATOM 686 O THR A 44 2.964 -6.448 -15.297 1.00 2.33 O ATOM 687 CB THR A 44 4.930 -8.307 -17.044 1.00 1.71 C ATOM 688 OG1 THR A 44 3.828 -9.213 -17.035 1.00 1.76 O ATOM 689 CG2 THR A 44 6.151 -9.191 -17.330 1.00 2.03 C ATOM 0 H THR A 44 3.409 -9.024 -14.977 1.00 1.36 H new ATOM 0 HA THR A 44 5.991 -7.508 -15.330 1.00 1.54 H new ATOM 0 HB THR A 44 4.886 -7.495 -17.770 1.00 1.71 H new ATOM 0 HG1 THR A 44 3.153 -8.913 -17.679 1.00 1.76 H new ATOM 0 HG21 THR A 44 6.088 -9.581 -18.346 1.00 2.03 H new ATOM 0 HG22 THR A 44 7.061 -8.600 -17.224 1.00 2.03 H new ATOM 0 HG23 THR A 44 6.173 -10.021 -16.623 1.00 2.03 H new ATOM 697 N LYS A 45 4.805 -5.315 -15.796 1.00 1.87 N ATOM 698 CA LYS A 45 4.043 -4.038 -15.751 1.00 1.98 C ATOM 699 C LYS A 45 2.869 -4.148 -16.721 1.00 2.01 C ATOM 700 O LYS A 45 1.750 -3.850 -16.368 1.00 2.20 O ATOM 701 CB LYS A 45 4.954 -2.871 -16.148 1.00 2.49 C ATOM 702 CG LYS A 45 5.846 -2.493 -14.950 1.00 3.67 C ATOM 703 CD LYS A 45 6.938 -1.494 -15.376 1.00 4.46 C ATOM 704 CE LYS A 45 6.352 -0.309 -16.168 1.00 4.87 C ATOM 705 NZ LYS A 45 5.221 0.342 -15.438 1.00 5.55 N ATOM 0 H LYS A 45 5.798 -5.237 -16.014 1.00 1.87 H new ATOM 0 HA LYS A 45 3.674 -3.854 -14.742 1.00 1.98 H new ATOM 0 HB2 LYS A 45 5.571 -3.150 -17.002 1.00 2.49 H new ATOM 0 HB3 LYS A 45 4.354 -2.014 -16.455 1.00 2.49 H new ATOM 0 HG2 LYS A 45 5.236 -2.056 -14.160 1.00 3.67 H new ATOM 0 HG3 LYS A 45 6.308 -3.390 -14.537 1.00 3.67 H new ATOM 0 HD2 LYS A 45 7.454 -1.120 -14.491 1.00 4.46 H new ATOM 0 HD3 LYS A 45 7.682 -2.007 -15.986 1.00 4.46 H new ATOM 0 HE2 LYS A 45 7.135 0.426 -16.355 1.00 4.87 H new ATOM 0 HE3 LYS A 45 6.004 -0.658 -17.140 1.00 4.87 H new ATOM 0 HZ1 LYS A 45 5.109 1.320 -15.773 1.00 5.55 H new ATOM 0 HZ2 LYS A 45 4.343 -0.187 -15.615 1.00 5.55 H new ATOM 0 HZ3 LYS A 45 5.423 0.346 -14.418 1.00 5.55 H new ATOM 719 N GLU A 46 3.183 -4.549 -17.921 1.00 2.27 N ATOM 720 CA GLU A 46 2.160 -4.721 -18.993 1.00 2.54 C ATOM 721 C GLU A 46 0.879 -5.339 -18.416 1.00 2.35 C ATOM 722 O GLU A 46 -0.159 -4.704 -18.410 1.00 2.47 O ATOM 723 CB GLU A 46 2.762 -5.615 -20.090 1.00 2.95 C ATOM 724 CG GLU A 46 4.169 -5.093 -20.457 1.00 3.32 C ATOM 725 CD GLU A 46 5.235 -5.908 -19.712 1.00 3.28 C ATOM 726 OE1 GLU A 46 5.500 -6.996 -20.179 1.00 3.49 O ATOM 727 OE2 GLU A 46 5.697 -5.410 -18.695 1.00 4.10 O ATOM 0 H GLU A 46 4.135 -4.771 -18.212 1.00 2.27 H new ATOM 0 HA GLU A 46 1.890 -3.754 -19.417 1.00 2.54 H new ATOM 0 HB2 GLU A 46 2.823 -6.646 -19.742 1.00 2.95 H new ATOM 0 HB3 GLU A 46 2.119 -5.613 -20.970 1.00 2.95 H new ATOM 0 HG2 GLU A 46 4.326 -5.169 -21.533 1.00 3.32 H new ATOM 0 HG3 GLU A 46 4.256 -4.038 -20.196 1.00 3.32 H new ATOM 734 N ASP A 47 0.983 -6.545 -17.934 1.00 2.18 N ATOM 735 CA ASP A 47 -0.205 -7.218 -17.334 1.00 2.25 C ATOM 736 C ASP A 47 -0.930 -6.296 -16.357 1.00 2.04 C ATOM 737 O ASP A 47 -2.126 -6.050 -16.472 1.00 2.32 O ATOM 738 CB ASP A 47 0.295 -8.465 -16.614 1.00 2.17 C ATOM 739 CG ASP A 47 0.580 -9.519 -17.669 1.00 3.82 C ATOM 740 OD1 ASP A 47 1.479 -9.254 -18.456 1.00 5.11 O ATOM 741 OD2 ASP A 47 -0.143 -10.496 -17.658 1.00 4.42 O ATOM 0 H ASP A 47 1.841 -7.096 -17.929 1.00 2.18 H new ATOM 0 HA ASP A 47 -0.919 -7.479 -18.115 1.00 2.25 H new ATOM 0 HB2 ASP A 47 1.196 -8.242 -16.042 1.00 2.17 H new ATOM 0 HB3 ASP A 47 -0.452 -8.824 -15.906 1.00 2.17 H new ATOM 746 N LEU A 48 -0.192 -5.817 -15.396 1.00 1.64 N ATOM 747 CA LEU A 48 -0.798 -4.902 -14.388 1.00 1.56 C ATOM 748 C LEU A 48 -1.556 -3.762 -15.071 1.00 1.68 C ATOM 749 O LEU A 48 -2.593 -3.341 -14.590 1.00 1.83 O ATOM 750 CB LEU A 48 0.300 -4.336 -13.478 1.00 1.36 C ATOM 751 CG LEU A 48 0.312 -5.107 -12.146 1.00 1.67 C ATOM 752 CD1 LEU A 48 1.542 -4.693 -11.330 1.00 1.99 C ATOM 753 CD2 LEU A 48 -0.950 -4.770 -11.334 1.00 2.26 C ATOM 0 H LEU A 48 0.799 -6.017 -15.264 1.00 1.64 H new ATOM 0 HA LEU A 48 -1.509 -5.469 -13.787 1.00 1.56 H new ATOM 0 HB2 LEU A 48 1.271 -4.419 -13.967 1.00 1.36 H new ATOM 0 HB3 LEU A 48 0.125 -3.276 -13.295 1.00 1.36 H new ATOM 0 HG LEU A 48 0.340 -6.176 -12.356 1.00 1.67 H new ATOM 0 HD11 LEU A 48 1.553 -5.238 -10.386 1.00 1.99 H new ATOM 0 HD12 LEU A 48 2.447 -4.924 -11.893 1.00 1.99 H new ATOM 0 HD13 LEU A 48 1.503 -3.622 -11.130 1.00 1.99 H new ATOM 0 HD21 LEU A 48 -0.934 -5.319 -10.393 1.00 2.26 H new ATOM 0 HD22 LEU A 48 -0.976 -3.700 -11.129 1.00 2.26 H new ATOM 0 HD23 LEU A 48 -1.835 -5.052 -11.904 1.00 2.26 H new ATOM 765 N GLN A 49 -0.998 -3.228 -16.134 1.00 1.76 N ATOM 766 CA GLN A 49 -1.697 -2.112 -16.865 1.00 2.04 C ATOM 767 C GLN A 49 -3.204 -2.405 -16.953 1.00 2.19 C ATOM 768 O GLN A 49 -4.020 -1.525 -16.757 1.00 2.41 O ATOM 769 CB GLN A 49 -1.148 -1.956 -18.298 1.00 2.30 C ATOM 770 CG GLN A 49 0.382 -1.748 -18.307 1.00 2.89 C ATOM 771 CD GLN A 49 0.796 -0.446 -17.615 1.00 4.02 C ATOM 772 OE1 GLN A 49 1.894 -0.318 -17.094 1.00 5.31 O ATOM 773 NE2 GLN A 49 -0.025 0.559 -17.594 1.00 4.66 N ATOM 0 H GLN A 49 -0.100 -3.510 -16.526 1.00 1.76 H new ATOM 0 HA GLN A 49 -1.520 -1.191 -16.309 1.00 2.04 H new ATOM 0 HB2 GLN A 49 -1.398 -2.842 -18.881 1.00 2.30 H new ATOM 0 HB3 GLN A 49 -1.633 -1.109 -18.783 1.00 2.30 H new ATOM 0 HG2 GLN A 49 0.864 -2.590 -17.810 1.00 2.89 H new ATOM 0 HG3 GLN A 49 0.739 -1.739 -19.337 1.00 2.89 H new ATOM 0 HE21 GLN A 49 -0.946 0.474 -18.023 1.00 4.66 H new ATOM 0 HE22 GLN A 49 0.251 1.434 -17.149 1.00 4.66 H new ATOM 782 N GLN A 50 -3.511 -3.649 -17.215 1.00 2.15 N ATOM 783 CA GLN A 50 -4.933 -4.093 -17.348 1.00 2.41 C ATOM 784 C GLN A 50 -5.728 -3.924 -16.036 1.00 2.39 C ATOM 785 O GLN A 50 -6.886 -3.556 -16.037 1.00 2.62 O ATOM 786 CB GLN A 50 -4.895 -5.582 -17.737 1.00 2.49 C ATOM 787 CG GLN A 50 -6.276 -6.069 -18.200 1.00 3.24 C ATOM 788 CD GLN A 50 -6.351 -7.593 -18.049 1.00 3.71 C ATOM 789 OE1 GLN A 50 -6.173 -8.133 -16.974 1.00 4.02 O ATOM 790 NE2 GLN A 50 -6.640 -8.324 -19.085 1.00 4.89 N ATOM 0 H GLN A 50 -2.823 -4.391 -17.345 1.00 2.15 H new ATOM 0 HA GLN A 50 -5.435 -3.481 -18.097 1.00 2.41 H new ATOM 0 HB2 GLN A 50 -4.167 -5.734 -18.533 1.00 2.49 H new ATOM 0 HB3 GLN A 50 -4.564 -6.175 -16.885 1.00 2.49 H new ATOM 0 HG2 GLN A 50 -7.059 -5.594 -17.609 1.00 3.24 H new ATOM 0 HG3 GLN A 50 -6.445 -5.786 -19.239 1.00 3.24 H new ATOM 0 HE21 GLN A 50 -6.792 -7.885 -19.993 1.00 4.89 H new ATOM 0 HE22 GLN A 50 -6.715 -9.337 -18.990 1.00 4.89 H new ATOM 799 N LYS A 51 -5.080 -4.199 -14.943 1.00 2.19 N ATOM 800 CA LYS A 51 -5.762 -4.116 -13.612 1.00 2.29 C ATOM 801 C LYS A 51 -5.742 -2.720 -12.976 1.00 2.11 C ATOM 802 O LYS A 51 -6.623 -2.396 -12.193 1.00 2.37 O ATOM 803 CB LYS A 51 -5.055 -5.086 -12.668 1.00 2.23 C ATOM 804 CG LYS A 51 -5.256 -6.529 -13.160 1.00 2.96 C ATOM 805 CD LYS A 51 -4.927 -7.537 -12.038 1.00 2.85 C ATOM 806 CE LYS A 51 -5.818 -7.303 -10.802 1.00 3.10 C ATOM 807 NZ LYS A 51 -7.260 -7.189 -11.190 1.00 3.99 N ATOM 0 H LYS A 51 -4.100 -4.480 -14.907 1.00 2.19 H new ATOM 0 HA LYS A 51 -6.811 -4.363 -13.774 1.00 2.29 H new ATOM 0 HB2 LYS A 51 -3.991 -4.853 -12.621 1.00 2.23 H new ATOM 0 HB3 LYS A 51 -5.450 -4.978 -11.658 1.00 2.23 H new ATOM 0 HG2 LYS A 51 -6.286 -6.666 -13.489 1.00 2.96 H new ATOM 0 HG3 LYS A 51 -4.618 -6.717 -14.023 1.00 2.96 H new ATOM 0 HD2 LYS A 51 -5.069 -8.553 -12.405 1.00 2.85 H new ATOM 0 HD3 LYS A 51 -3.878 -7.443 -11.757 1.00 2.85 H new ATOM 0 HE2 LYS A 51 -5.692 -8.125 -10.098 1.00 3.10 H new ATOM 0 HE3 LYS A 51 -5.503 -6.394 -10.290 1.00 3.10 H new ATOM 0 HZ1 LYS A 51 -7.856 -7.287 -10.343 1.00 3.99 H new ATOM 0 HZ2 LYS A 51 -7.430 -6.261 -11.627 1.00 3.99 H new ATOM 0 HZ3 LYS A 51 -7.497 -7.940 -11.869 1.00 3.99 H new ATOM 821 N ALA A 52 -4.723 -1.961 -13.267 1.00 1.87 N ATOM 822 CA ALA A 52 -4.628 -0.590 -12.673 1.00 1.90 C ATOM 823 C ALA A 52 -5.108 0.498 -13.642 1.00 2.52 C ATOM 824 O ALA A 52 -5.616 1.513 -13.209 1.00 3.06 O ATOM 825 CB ALA A 52 -3.175 -0.334 -12.284 1.00 1.62 C ATOM 0 H ALA A 52 -3.955 -2.224 -13.885 1.00 1.87 H new ATOM 0 HA ALA A 52 -5.278 -0.546 -11.799 1.00 1.90 H new ATOM 0 HB1 ALA A 52 -3.085 0.661 -11.849 1.00 1.62 H new ATOM 0 HB2 ALA A 52 -2.857 -1.079 -11.555 1.00 1.62 H new ATOM 0 HB3 ALA A 52 -2.544 -0.401 -13.170 1.00 1.62 H new ATOM 831 N GLY A 53 -4.901 0.292 -14.916 1.00 2.59 N ATOM 832 CA GLY A 53 -5.356 1.301 -15.925 1.00 3.26 C ATOM 833 C GLY A 53 -4.596 2.628 -15.809 1.00 3.46 C ATOM 834 O GLY A 53 -5.209 3.674 -15.734 1.00 3.92 O ATOM 0 H GLY A 53 -4.437 -0.530 -15.304 1.00 2.59 H new ATOM 0 HA2 GLY A 53 -5.221 0.895 -16.927 1.00 3.26 H new ATOM 0 HA3 GLY A 53 -6.423 1.484 -15.796 1.00 3.26 H new ATOM 838 N LYS A 54 -3.285 2.567 -15.796 1.00 3.49 N ATOM 839 CA LYS A 54 -2.486 3.841 -15.703 1.00 3.80 C ATOM 840 C LYS A 54 -1.774 4.102 -17.041 1.00 3.82 C ATOM 841 O LYS A 54 -1.908 3.330 -17.972 1.00 3.92 O ATOM 842 CB LYS A 54 -1.420 3.757 -14.575 1.00 4.48 C ATOM 843 CG LYS A 54 -1.403 2.381 -13.886 1.00 4.94 C ATOM 844 CD LYS A 54 -0.885 1.299 -14.845 1.00 6.34 C ATOM 845 CE LYS A 54 0.512 0.805 -14.411 1.00 7.85 C ATOM 846 NZ LYS A 54 1.566 1.854 -14.623 1.00 8.24 N ATOM 0 H LYS A 54 -2.737 1.708 -15.845 1.00 3.49 H new ATOM 0 HA LYS A 54 -3.175 4.654 -15.474 1.00 3.80 H new ATOM 0 HB2 LYS A 54 -0.435 3.963 -14.994 1.00 4.48 H new ATOM 0 HB3 LYS A 54 -1.619 4.530 -13.832 1.00 4.48 H new ATOM 0 HG2 LYS A 54 -0.770 2.421 -12.999 1.00 4.94 H new ATOM 0 HG3 LYS A 54 -2.408 2.125 -13.550 1.00 4.94 H new ATOM 0 HD2 LYS A 54 -1.582 0.461 -14.866 1.00 6.34 H new ATOM 0 HD3 LYS A 54 -0.836 1.698 -15.858 1.00 6.34 H new ATOM 0 HE2 LYS A 54 0.487 0.523 -13.358 1.00 7.85 H new ATOM 0 HE3 LYS A 54 0.772 -0.091 -14.975 1.00 7.85 H new ATOM 0 HZ1 LYS A 54 2.376 1.436 -15.124 1.00 8.24 H new ATOM 0 HZ2 LYS A 54 1.172 2.632 -15.190 1.00 8.24 H new ATOM 0 HZ3 LYS A 54 1.880 2.222 -13.702 1.00 8.24 H new ATOM 860 N PRO A 55 -1.028 5.190 -17.105 1.00 4.53 N ATOM 861 CA PRO A 55 0.186 5.269 -17.954 1.00 4.79 C ATOM 862 C PRO A 55 1.030 3.996 -17.830 1.00 3.84 C ATOM 863 O PRO A 55 0.818 3.192 -16.926 1.00 3.82 O ATOM 864 CB PRO A 55 0.915 6.499 -17.425 1.00 6.37 C ATOM 865 CG PRO A 55 -0.186 7.391 -16.802 1.00 6.97 C ATOM 866 CD PRO A 55 -1.313 6.441 -16.356 1.00 5.70 C ATOM 0 HA PRO A 55 -0.038 5.351 -19.018 1.00 4.79 H new ATOM 0 HB2 PRO A 55 1.664 6.223 -16.683 1.00 6.37 H new ATOM 0 HB3 PRO A 55 1.437 7.021 -18.226 1.00 6.37 H new ATOM 0 HG2 PRO A 55 0.204 7.955 -15.955 1.00 6.97 H new ATOM 0 HG3 PRO A 55 -0.554 8.117 -17.527 1.00 6.97 H new ATOM 0 HD2 PRO A 55 -1.297 6.276 -15.279 1.00 5.70 H new ATOM 0 HD3 PRO A 55 -2.296 6.841 -16.602 1.00 5.70 H new ATOM 874 N VAL A 56 2.026 3.861 -18.667 1.00 4.32 N ATOM 875 CA VAL A 56 2.848 2.617 -18.590 1.00 4.35 C ATOM 876 C VAL A 56 4.016 2.804 -17.624 1.00 4.22 C ATOM 877 O VAL A 56 4.070 2.103 -16.622 1.00 4.43 O ATOM 878 CB VAL A 56 3.331 2.220 -20.005 1.00 6.10 C ATOM 879 CG1 VAL A 56 2.103 1.934 -20.875 1.00 6.46 C ATOM 880 CG2 VAL A 56 4.157 3.329 -20.681 1.00 7.13 C ATOM 0 H VAL A 56 2.300 4.536 -19.381 1.00 4.32 H new ATOM 0 HA VAL A 56 2.235 1.803 -18.202 1.00 4.35 H new ATOM 0 HB VAL A 56 3.971 1.344 -19.903 1.00 6.10 H new ATOM 0 HG11 VAL A 56 2.425 1.652 -21.878 1.00 6.46 H new ATOM 0 HG12 VAL A 56 1.528 1.119 -20.436 1.00 6.46 H new ATOM 0 HG13 VAL A 56 1.481 2.827 -20.931 1.00 6.46 H new ATOM 0 HG21 VAL A 56 4.470 2.997 -21.671 1.00 7.13 H new ATOM 0 HG22 VAL A 56 3.549 4.229 -20.775 1.00 7.13 H new ATOM 0 HG23 VAL A 56 5.037 3.547 -20.076 1.00 7.13 H new ATOM 890 N GLU A 57 4.875 3.752 -17.915 1.00 4.65 N ATOM 891 CA GLU A 57 6.062 4.031 -17.039 1.00 4.96 C ATOM 892 C GLU A 57 5.644 3.908 -15.569 1.00 3.67 C ATOM 893 O GLU A 57 6.021 2.970 -14.886 1.00 3.89 O ATOM 894 CB GLU A 57 6.597 5.464 -17.309 1.00 6.37 C ATOM 895 CG GLU A 57 5.953 6.087 -18.570 1.00 7.20 C ATOM 896 CD GLU A 57 4.451 6.359 -18.362 1.00 6.87 C ATOM 897 OE1 GLU A 57 4.067 6.566 -17.218 1.00 6.75 O ATOM 898 OE2 GLU A 57 3.765 6.319 -19.365 1.00 7.30 O ATOM 0 H GLU A 57 4.804 4.354 -18.735 1.00 4.65 H new ATOM 0 HA GLU A 57 6.850 3.311 -17.260 1.00 4.96 H new ATOM 0 HB2 GLU A 57 6.393 6.097 -16.446 1.00 6.37 H new ATOM 0 HB3 GLU A 57 7.680 5.431 -17.432 1.00 6.37 H new ATOM 0 HG2 GLU A 57 6.462 7.019 -18.817 1.00 7.20 H new ATOM 0 HG3 GLU A 57 6.088 5.416 -19.418 1.00 7.20 H new ATOM 905 N THR A 58 4.847 4.861 -15.170 1.00 3.36 N ATOM 906 CA THR A 58 4.284 4.963 -13.785 1.00 3.37 C ATOM 907 C THR A 58 4.408 3.666 -12.963 1.00 2.72 C ATOM 908 O THR A 58 3.738 2.668 -13.238 1.00 2.77 O ATOM 909 CB THR A 58 2.818 5.389 -13.936 1.00 4.30 C ATOM 910 OG1 THR A 58 2.884 6.684 -14.529 1.00 5.54 O ATOM 911 CG2 THR A 58 2.134 5.622 -12.582 1.00 5.40 C ATOM 0 H THR A 58 4.545 5.618 -15.783 1.00 3.36 H new ATOM 0 HA THR A 58 4.862 5.694 -13.219 1.00 3.37 H new ATOM 0 HB THR A 58 2.274 4.623 -14.489 1.00 4.30 H new ATOM 0 HG1 THR A 58 1.977 7.030 -14.662 1.00 5.54 H new ATOM 0 HG21 THR A 58 1.099 5.922 -12.744 1.00 5.40 H new ATOM 0 HG22 THR A 58 2.158 4.701 -11.999 1.00 5.40 H new ATOM 0 HG23 THR A 58 2.659 6.409 -12.040 1.00 5.40 H new ATOM 919 N VAL A 59 5.305 3.719 -11.998 1.00 2.59 N ATOM 920 CA VAL A 59 5.564 2.563 -11.082 1.00 2.09 C ATOM 921 C VAL A 59 5.885 3.169 -9.682 1.00 1.80 C ATOM 922 O VAL A 59 6.284 4.321 -9.618 1.00 2.21 O ATOM 923 CB VAL A 59 6.761 1.789 -11.698 1.00 2.51 C ATOM 924 CG1 VAL A 59 8.071 2.080 -10.942 1.00 3.37 C ATOM 925 CG2 VAL A 59 6.503 0.274 -11.708 1.00 2.35 C ATOM 0 H VAL A 59 5.881 4.539 -11.807 1.00 2.59 H new ATOM 0 HA VAL A 59 4.727 1.874 -10.967 1.00 2.09 H new ATOM 0 HB VAL A 59 6.864 2.137 -12.726 1.00 2.51 H new ATOM 0 HG11 VAL A 59 8.887 1.522 -11.400 1.00 3.37 H new ATOM 0 HG12 VAL A 59 8.289 3.147 -10.990 1.00 3.37 H new ATOM 0 HG13 VAL A 59 7.965 1.778 -9.900 1.00 3.37 H new ATOM 0 HG21 VAL A 59 7.360 -0.238 -12.145 1.00 2.35 H new ATOM 0 HG22 VAL A 59 6.353 -0.076 -10.687 1.00 2.35 H new ATOM 0 HG23 VAL A 59 5.612 0.060 -12.299 1.00 2.35 H new ATOM 935 N PRO A 60 5.733 2.425 -8.596 1.00 1.46 N ATOM 936 CA PRO A 60 5.072 1.099 -8.538 1.00 1.34 C ATOM 937 C PRO A 60 3.569 1.293 -8.397 1.00 1.07 C ATOM 938 O PRO A 60 3.071 2.365 -8.692 1.00 1.20 O ATOM 939 CB PRO A 60 5.657 0.428 -7.288 1.00 1.57 C ATOM 940 CG PRO A 60 6.422 1.520 -6.503 1.00 1.84 C ATOM 941 CD PRO A 60 6.290 2.837 -7.290 1.00 1.61 C ATOM 0 HA PRO A 60 5.237 0.497 -9.432 1.00 1.34 H new ATOM 0 HB2 PRO A 60 4.865 -0.003 -6.676 1.00 1.57 H new ATOM 0 HB3 PRO A 60 6.325 -0.387 -7.565 1.00 1.57 H new ATOM 0 HG2 PRO A 60 6.010 1.630 -5.500 1.00 1.84 H new ATOM 0 HG3 PRO A 60 7.471 1.246 -6.388 1.00 1.84 H new ATOM 0 HD2 PRO A 60 5.632 3.541 -6.781 1.00 1.61 H new ATOM 0 HD3 PRO A 60 7.255 3.330 -7.406 1.00 1.61 H new ATOM 949 N GLN A 61 2.862 0.262 -7.997 1.00 0.82 N ATOM 950 CA GLN A 61 1.386 0.443 -7.846 1.00 0.71 C ATOM 951 C GLN A 61 0.919 -0.155 -6.508 1.00 0.61 C ATOM 952 O GLN A 61 1.546 -1.060 -5.966 1.00 0.70 O ATOM 953 CB GLN A 61 0.624 -0.241 -9.002 1.00 0.87 C ATOM 954 CG GLN A 61 1.256 0.056 -10.387 1.00 1.10 C ATOM 955 CD GLN A 61 1.144 1.540 -10.796 1.00 2.43 C ATOM 956 OE1 GLN A 61 1.571 1.929 -11.873 1.00 3.61 O ATOM 957 NE2 GLN A 61 0.569 2.398 -10.008 1.00 3.31 N ATOM 0 H GLN A 61 3.227 -0.664 -7.776 1.00 0.82 H new ATOM 0 HA GLN A 61 1.172 1.512 -7.869 1.00 0.71 H new ATOM 0 HB2 GLN A 61 0.609 -1.318 -8.836 1.00 0.87 H new ATOM 0 HB3 GLN A 61 -0.413 0.096 -8.999 1.00 0.87 H new ATOM 0 HG2 GLN A 61 2.307 -0.232 -10.370 1.00 1.10 H new ATOM 0 HG3 GLN A 61 0.769 -0.561 -11.142 1.00 1.10 H new ATOM 0 HE21 GLN A 61 0.205 2.096 -9.104 1.00 3.31 H new ATOM 0 HE22 GLN A 61 0.482 3.373 -10.293 1.00 3.31 H new ATOM 966 N ILE A 62 -0.149 0.406 -5.994 1.00 0.56 N ATOM 967 CA ILE A 62 -0.727 -0.078 -4.703 1.00 0.55 C ATOM 968 C ILE A 62 -2.153 -0.542 -4.972 1.00 0.58 C ATOM 969 O ILE A 62 -2.868 0.031 -5.793 1.00 0.65 O ATOM 970 CB ILE A 62 -0.779 1.051 -3.641 1.00 0.60 C ATOM 971 CG1 ILE A 62 0.641 1.449 -3.221 1.00 0.87 C ATOM 972 CG2 ILE A 62 -1.535 0.573 -2.388 1.00 0.65 C ATOM 973 CD1 ILE A 62 1.243 2.370 -4.265 1.00 1.13 C ATOM 0 H ILE A 62 -0.649 1.187 -6.419 1.00 0.56 H new ATOM 0 HA ILE A 62 -0.099 -0.883 -4.320 1.00 0.55 H new ATOM 0 HB ILE A 62 -1.293 1.905 -4.083 1.00 0.60 H new ATOM 0 HG12 ILE A 62 0.618 1.948 -2.252 1.00 0.87 H new ATOM 0 HG13 ILE A 62 1.260 0.559 -3.107 1.00 0.87 H new ATOM 0 HG21 ILE A 62 -1.563 1.376 -1.652 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -2.553 0.295 -2.661 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -1.025 -0.291 -1.963 1.00 0.65 H new ATOM 0 HD11 ILE A 62 2.252 2.651 -3.964 1.00 1.13 H new ATOM 0 HD12 ILE A 62 1.281 1.856 -5.225 1.00 1.13 H new ATOM 0 HD13 ILE A 62 0.629 3.266 -4.357 1.00 1.13 H new ATOM 985 N PHE A 63 -2.516 -1.547 -4.251 1.00 0.57 N ATOM 986 CA PHE A 63 -3.883 -2.127 -4.349 1.00 0.65 C ATOM 987 C PHE A 63 -4.394 -2.318 -2.924 1.00 0.68 C ATOM 988 O PHE A 63 -3.662 -2.838 -2.103 1.00 0.72 O ATOM 989 CB PHE A 63 -3.818 -3.503 -5.035 1.00 0.81 C ATOM 990 CG PHE A 63 -3.908 -3.370 -6.564 1.00 0.80 C ATOM 991 CD1 PHE A 63 -5.141 -3.294 -7.190 1.00 0.88 C ATOM 992 CD2 PHE A 63 -2.766 -3.367 -7.346 1.00 1.00 C ATOM 993 CE1 PHE A 63 -5.233 -3.222 -8.567 1.00 1.03 C ATOM 994 CE2 PHE A 63 -2.859 -3.295 -8.725 1.00 1.12 C ATOM 995 CZ PHE A 63 -4.091 -3.223 -9.337 1.00 1.09 C ATOM 0 H PHE A 63 -1.909 -2.011 -3.575 1.00 0.57 H new ATOM 0 HA PHE A 63 -4.535 -1.471 -4.926 1.00 0.65 H new ATOM 0 HB2 PHE A 63 -2.887 -4.002 -4.765 1.00 0.81 H new ATOM 0 HB3 PHE A 63 -4.633 -4.131 -4.674 1.00 0.81 H new ATOM 0 HD1 PHE A 63 -6.042 -3.291 -6.595 1.00 0.88 H new ATOM 0 HD2 PHE A 63 -1.795 -3.421 -6.877 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -6.202 -3.165 -9.040 1.00 1.03 H new ATOM 0 HE2 PHE A 63 -1.961 -3.295 -9.325 1.00 1.12 H new ATOM 0 HZ PHE A 63 -4.161 -3.168 -10.413 1.00 1.09 H new ATOM 1005 N VAL A 64 -5.559 -1.838 -2.615 1.00 0.68 N ATOM 1006 CA VAL A 64 -6.074 -2.081 -1.224 1.00 0.83 C ATOM 1007 C VAL A 64 -7.195 -3.137 -1.352 1.00 1.06 C ATOM 1008 O VAL A 64 -7.337 -3.727 -2.411 1.00 2.03 O ATOM 1009 CB VAL A 64 -6.504 -0.722 -0.605 1.00 0.82 C ATOM 1010 CG1 VAL A 64 -6.989 -0.878 0.843 1.00 0.98 C ATOM 1011 CG2 VAL A 64 -5.270 0.193 -0.557 1.00 0.87 C ATOM 0 H VAL A 64 -6.169 -1.304 -3.234 1.00 0.68 H new ATOM 0 HA VAL A 64 -5.329 -2.480 -0.535 1.00 0.83 H new ATOM 0 HB VAL A 64 -7.312 -0.319 -1.215 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -7.279 0.096 1.236 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -7.847 -1.550 0.869 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -6.186 -1.291 1.453 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -5.547 1.155 -0.126 1.00 0.87 H new ATOM 0 HG22 VAL A 64 -4.497 -0.271 0.056 1.00 0.87 H new ATOM 0 HG23 VAL A 64 -4.890 0.344 -1.567 1.00 0.87 H new ATOM 1021 N ASP A 65 -7.983 -3.335 -0.330 1.00 1.10 N ATOM 1022 CA ASP A 65 -9.063 -4.377 -0.390 1.00 1.39 C ATOM 1023 C ASP A 65 -9.878 -4.320 -1.692 1.00 1.91 C ATOM 1024 O ASP A 65 -10.868 -3.626 -1.840 1.00 3.81 O ATOM 1025 CB ASP A 65 -10.020 -4.158 0.747 1.00 1.33 C ATOM 1026 CG ASP A 65 -9.305 -4.203 2.102 1.00 1.57 C ATOM 1027 OD1 ASP A 65 -8.551 -3.287 2.382 1.00 2.87 O ATOM 1028 OD2 ASP A 65 -9.539 -5.153 2.809 1.00 2.07 O ATOM 0 H ASP A 65 -7.930 -2.821 0.549 1.00 1.10 H new ATOM 0 HA ASP A 65 -8.567 -5.346 -0.334 1.00 1.39 H new ATOM 0 HB2 ASP A 65 -10.514 -3.194 0.627 1.00 1.33 H new ATOM 0 HB3 ASP A 65 -10.799 -4.920 0.720 1.00 1.33 H new ATOM 1033 N GLN A 66 -9.365 -5.095 -2.569 1.00 1.39 N ATOM 1034 CA GLN A 66 -9.898 -5.298 -3.961 1.00 1.57 C ATOM 1035 C GLN A 66 -10.124 -3.982 -4.726 1.00 1.31 C ATOM 1036 O GLN A 66 -11.029 -3.887 -5.529 1.00 2.15 O ATOM 1037 CB GLN A 66 -11.218 -6.081 -3.881 1.00 1.96 C ATOM 1038 CG GLN A 66 -10.954 -7.481 -3.309 1.00 3.00 C ATOM 1039 CD GLN A 66 -12.251 -8.294 -3.345 1.00 3.72 C ATOM 1040 OE1 GLN A 66 -13.224 -7.964 -2.704 1.00 3.93 O ATOM 1041 NE2 GLN A 66 -12.317 -9.356 -4.091 1.00 4.95 N ATOM 0 H GLN A 66 -8.530 -5.650 -2.381 1.00 1.39 H new ATOM 0 HA GLN A 66 -9.144 -5.855 -4.517 1.00 1.57 H new ATOM 0 HB2 GLN A 66 -11.931 -5.548 -3.251 1.00 1.96 H new ATOM 0 HB3 GLN A 66 -11.666 -6.161 -4.872 1.00 1.96 H new ATOM 0 HG2 GLN A 66 -10.180 -7.984 -3.889 1.00 3.00 H new ATOM 0 HG3 GLN A 66 -10.587 -7.405 -2.285 1.00 3.00 H new ATOM 0 HE21 GLN A 66 -11.506 -9.647 -4.637 1.00 4.95 H new ATOM 0 HE22 GLN A 66 -13.180 -9.899 -4.131 1.00 4.95 H new ATOM 1050 N GLN A 67 -9.276 -3.019 -4.511 1.00 0.92 N ATOM 1051 CA GLN A 67 -9.431 -1.723 -5.216 1.00 1.01 C ATOM 1052 C GLN A 67 -8.079 -1.186 -5.715 1.00 0.88 C ATOM 1053 O GLN A 67 -7.102 -1.229 -4.977 1.00 0.85 O ATOM 1054 CB GLN A 67 -10.044 -0.743 -4.213 1.00 1.45 C ATOM 1055 CG GLN A 67 -9.422 -0.965 -2.825 1.00 2.63 C ATOM 1056 CD GLN A 67 -10.182 -0.183 -1.767 1.00 3.84 C ATOM 1057 OE1 GLN A 67 -10.001 0.999 -1.602 1.00 4.86 O ATOM 1058 NE2 GLN A 67 -11.045 -0.816 -1.031 1.00 4.57 N ATOM 0 H GLN A 67 -8.480 -3.075 -3.875 1.00 0.92 H new ATOM 0 HA GLN A 67 -10.065 -1.849 -6.093 1.00 1.01 H new ATOM 0 HB2 GLN A 67 -9.871 0.282 -4.540 1.00 1.45 H new ATOM 0 HB3 GLN A 67 -11.124 -0.885 -4.165 1.00 1.45 H new ATOM 0 HG2 GLN A 67 -9.436 -2.027 -2.580 1.00 2.63 H new ATOM 0 HG3 GLN A 67 -8.377 -0.654 -2.835 1.00 2.63 H new ATOM 0 HE21 GLN A 67 -11.198 -1.815 -1.170 1.00 4.57 H new ATOM 0 HE22 GLN A 67 -11.569 -0.314 -0.314 1.00 4.57 H new ATOM 1067 N HIS A 68 -8.038 -0.686 -6.935 1.00 0.98 N ATOM 1068 CA HIS A 68 -6.741 -0.126 -7.419 1.00 0.91 C ATOM 1069 C HIS A 68 -6.644 1.263 -6.799 1.00 0.78 C ATOM 1070 O HIS A 68 -7.635 1.968 -6.698 1.00 0.93 O ATOM 1071 CB HIS A 68 -6.687 0.003 -8.960 1.00 1.14 C ATOM 1072 CG HIS A 68 -5.438 0.751 -9.449 1.00 1.16 C ATOM 1073 ND1 HIS A 68 -5.466 1.522 -10.506 1.00 1.25 N ATOM 1074 CD2 HIS A 68 -4.177 0.867 -8.922 1.00 1.30 C ATOM 1075 CE1 HIS A 68 -4.299 2.111 -10.627 1.00 1.34 C ATOM 1076 NE2 HIS A 68 -3.519 1.703 -9.660 1.00 1.36 N ATOM 0 H HIS A 68 -8.819 -0.644 -7.590 1.00 0.98 H new ATOM 0 HA HIS A 68 -5.921 -0.786 -7.137 1.00 0.91 H new ATOM 0 HB2 HIS A 68 -6.707 -0.992 -9.405 1.00 1.14 H new ATOM 0 HB3 HIS A 68 -7.578 0.526 -9.308 1.00 1.14 H new ATOM 0 HD1 HIS A 68 -6.262 1.645 -11.132 1.00 1.25 H new ATOM 0 HD2 HIS A 68 -3.801 0.354 -8.049 1.00 1.30 H new ATOM 0 HE1 HIS A 68 -4.028 2.817 -11.398 1.00 1.34 H new ATOM 1084 N ILE A 69 -5.472 1.626 -6.401 1.00 0.69 N ATOM 1085 CA ILE A 69 -5.305 2.956 -5.770 1.00 0.78 C ATOM 1086 C ILE A 69 -4.578 3.898 -6.711 1.00 0.88 C ATOM 1087 O ILE A 69 -5.016 5.001 -6.951 1.00 1.03 O ATOM 1088 CB ILE A 69 -4.476 2.763 -4.505 1.00 1.00 C ATOM 1089 CG1 ILE A 69 -4.925 1.503 -3.759 1.00 1.28 C ATOM 1090 CG2 ILE A 69 -4.648 3.966 -3.594 1.00 1.15 C ATOM 1091 CD1 ILE A 69 -6.398 1.599 -3.324 1.00 1.36 C ATOM 0 H ILE A 69 -4.623 1.067 -6.482 1.00 0.69 H new ATOM 0 HA ILE A 69 -6.279 3.388 -5.538 1.00 0.78 H new ATOM 0 HB ILE A 69 -3.429 2.657 -4.789 1.00 1.00 H new ATOM 0 HG12 ILE A 69 -4.790 0.632 -4.400 1.00 1.28 H new ATOM 0 HG13 ILE A 69 -4.295 1.354 -2.882 1.00 1.28 H new ATOM 0 HG21 ILE A 69 -4.055 3.826 -2.690 1.00 1.15 H new ATOM 0 HG22 ILE A 69 -4.314 4.865 -4.112 1.00 1.15 H new ATOM 0 HG23 ILE A 69 -5.699 4.071 -3.325 1.00 1.15 H new ATOM 0 HD11 ILE A 69 -6.682 0.688 -2.798 1.00 1.36 H new ATOM 0 HD12 ILE A 69 -6.527 2.455 -2.662 1.00 1.36 H new ATOM 0 HD13 ILE A 69 -7.030 1.722 -4.204 1.00 1.36 H new ATOM 1103 N GLY A 70 -3.478 3.426 -7.210 1.00 0.96 N ATOM 1104 CA GLY A 70 -2.648 4.249 -8.136 1.00 1.20 C ATOM 1105 C GLY A 70 -1.169 3.937 -7.898 1.00 0.91 C ATOM 1106 O GLY A 70 -0.809 2.789 -7.645 1.00 1.66 O ATOM 0 H GLY A 70 -3.110 2.495 -7.017 1.00 0.96 H new ATOM 0 HA2 GLY A 70 -2.915 4.035 -9.171 1.00 1.20 H new ATOM 0 HA3 GLY A 70 -2.840 5.309 -7.970 1.00 1.20 H new ATOM 1110 N GLY A 71 -0.344 4.956 -7.942 1.00 1.11 N ATOM 1111 CA GLY A 71 1.127 4.750 -7.744 1.00 1.17 C ATOM 1112 C GLY A 71 1.585 5.141 -6.332 1.00 1.25 C ATOM 1113 O GLY A 71 2.226 4.357 -5.663 1.00 2.61 O ATOM 0 H GLY A 71 -0.626 5.922 -8.107 1.00 1.11 H new ATOM 0 HA2 GLY A 71 1.373 3.704 -7.927 1.00 1.17 H new ATOM 0 HA3 GLY A 71 1.676 5.340 -8.478 1.00 1.17 H new ATOM 1117 N TYR A 72 1.308 6.339 -5.902 1.00 1.06 N ATOM 1118 CA TYR A 72 1.759 6.715 -4.517 1.00 0.88 C ATOM 1119 C TYR A 72 0.931 7.889 -4.012 1.00 0.81 C ATOM 1120 O TYR A 72 0.252 7.789 -3.012 1.00 0.99 O ATOM 1121 CB TYR A 72 3.257 7.066 -4.542 1.00 1.02 C ATOM 1122 CG TYR A 72 3.780 7.303 -3.115 1.00 0.85 C ATOM 1123 CD1 TYR A 72 3.451 6.443 -2.078 1.00 0.86 C ATOM 1124 CD2 TYR A 72 4.644 8.349 -2.856 1.00 1.11 C ATOM 1125 CE1 TYR A 72 3.983 6.628 -0.815 1.00 1.01 C ATOM 1126 CE2 TYR A 72 5.179 8.522 -1.596 1.00 1.31 C ATOM 1127 CZ TYR A 72 4.859 7.657 -0.567 1.00 1.23 C ATOM 1128 OH TYR A 72 5.477 7.774 0.668 1.00 1.70 O ATOM 0 H TYR A 72 0.806 7.059 -6.422 1.00 1.06 H new ATOM 0 HA TYR A 72 1.613 5.875 -3.838 1.00 0.88 H new ATOM 0 HB2 TYR A 72 3.818 6.258 -5.011 1.00 1.02 H new ATOM 0 HB3 TYR A 72 3.417 7.958 -5.147 1.00 1.02 H new ATOM 0 HD1 TYR A 72 2.773 5.622 -2.258 1.00 0.86 H new ATOM 0 HD2 TYR A 72 4.903 9.038 -3.647 1.00 1.11 H new ATOM 0 HE1 TYR A 72 3.707 5.957 -0.015 1.00 1.01 H new ATOM 0 HE2 TYR A 72 5.856 9.343 -1.412 1.00 1.31 H new ATOM 0 HH TYR A 72 5.699 6.882 1.008 1.00 1.70 H new ATOM 1138 N THR A 73 1.040 8.989 -4.702 1.00 0.91 N ATOM 1139 CA THR A 73 0.250 10.199 -4.332 1.00 0.98 C ATOM 1140 C THR A 73 -1.179 9.739 -4.046 1.00 0.91 C ATOM 1141 O THR A 73 -1.846 10.153 -3.118 1.00 1.12 O ATOM 1142 CB THR A 73 0.291 11.128 -5.550 1.00 1.22 C ATOM 1143 OG1 THR A 73 0.188 10.238 -6.666 1.00 1.37 O ATOM 1144 CG2 THR A 73 1.671 11.769 -5.719 1.00 1.28 C ATOM 0 H THR A 73 1.647 9.104 -5.513 1.00 0.91 H new ATOM 0 HA THR A 73 0.638 10.717 -3.455 1.00 0.98 H new ATOM 0 HB THR A 73 -0.474 11.899 -5.459 1.00 1.22 H new ATOM 0 HG1 THR A 73 0.205 10.754 -7.499 1.00 1.37 H new ATOM 0 HG21 THR A 73 1.665 12.422 -6.592 1.00 1.28 H new ATOM 0 HG22 THR A 73 1.912 12.353 -4.831 1.00 1.28 H new ATOM 0 HG23 THR A 73 2.420 10.989 -5.854 1.00 1.28 H new ATOM 1152 N ASP A 74 -1.568 8.840 -4.892 1.00 0.80 N ATOM 1153 CA ASP A 74 -2.909 8.213 -4.832 1.00 0.79 C ATOM 1154 C ASP A 74 -3.082 7.474 -3.503 1.00 0.75 C ATOM 1155 O ASP A 74 -4.012 7.735 -2.788 1.00 0.83 O ATOM 1156 CB ASP A 74 -3.017 7.229 -5.998 1.00 0.96 C ATOM 1157 CG ASP A 74 -2.257 7.798 -7.192 1.00 1.52 C ATOM 1158 OD1 ASP A 74 -2.874 8.532 -7.935 1.00 2.34 O ATOM 1159 OD2 ASP A 74 -1.068 7.512 -7.247 1.00 2.62 O ATOM 0 H ASP A 74 -0.986 8.499 -5.657 1.00 0.80 H new ATOM 0 HA ASP A 74 -3.688 8.972 -4.903 1.00 0.79 H new ATOM 0 HB2 ASP A 74 -2.604 6.261 -5.714 1.00 0.96 H new ATOM 0 HB3 ASP A 74 -4.063 7.066 -6.259 1.00 0.96 H new ATOM 1164 N PHE A 75 -2.174 6.586 -3.175 1.00 0.78 N ATOM 1165 CA PHE A 75 -2.345 5.868 -1.876 1.00 0.78 C ATOM 1166 C PHE A 75 -2.299 6.897 -0.748 1.00 0.68 C ATOM 1167 O PHE A 75 -3.019 6.781 0.212 1.00 0.78 O ATOM 1168 CB PHE A 75 -1.265 4.795 -1.669 1.00 0.92 C ATOM 1169 CG PHE A 75 -1.574 4.013 -0.374 1.00 0.81 C ATOM 1170 CD1 PHE A 75 -2.851 3.526 -0.108 1.00 0.72 C ATOM 1171 CD2 PHE A 75 -0.585 3.831 0.571 1.00 0.97 C ATOM 1172 CE1 PHE A 75 -3.122 2.884 1.079 1.00 0.71 C ATOM 1173 CE2 PHE A 75 -0.861 3.188 1.757 1.00 1.01 C ATOM 1174 CZ PHE A 75 -2.127 2.717 2.009 1.00 0.85 C ATOM 0 H PHE A 75 -1.353 6.335 -3.726 1.00 0.78 H new ATOM 0 HA PHE A 75 -3.305 5.352 -1.880 1.00 0.78 H new ATOM 0 HB2 PHE A 75 -1.240 4.116 -2.522 1.00 0.92 H new ATOM 0 HB3 PHE A 75 -0.281 5.259 -1.603 1.00 0.92 H new ATOM 0 HD1 PHE A 75 -3.636 3.653 -0.839 1.00 0.72 H new ATOM 0 HD2 PHE A 75 0.413 4.196 0.379 1.00 0.97 H new ATOM 0 HE1 PHE A 75 -4.116 2.512 1.278 1.00 0.71 H new ATOM 0 HE2 PHE A 75 -0.080 3.054 2.491 1.00 1.01 H new ATOM 0 HZ PHE A 75 -2.339 2.214 2.941 1.00 0.85 H new ATOM 1184 N ALA A 76 -1.449 7.876 -0.865 1.00 0.68 N ATOM 1185 CA ALA A 76 -1.403 8.928 0.193 1.00 0.78 C ATOM 1186 C ALA A 76 -2.829 9.470 0.376 1.00 0.82 C ATOM 1187 O ALA A 76 -3.375 9.461 1.461 1.00 0.88 O ATOM 1188 CB ALA A 76 -0.453 10.046 -0.247 1.00 1.03 C ATOM 0 H ALA A 76 -0.791 7.996 -1.635 1.00 0.68 H new ATOM 0 HA ALA A 76 -1.039 8.521 1.136 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -0.417 10.817 0.523 1.00 1.03 H new ATOM 0 HB2 ALA A 76 0.546 9.636 -0.398 1.00 1.03 H new ATOM 0 HB3 ALA A 76 -0.811 10.482 -1.180 1.00 1.03 H new ATOM 1194 N ALA A 77 -3.410 9.909 -0.710 1.00 0.94 N ATOM 1195 CA ALA A 77 -4.801 10.441 -0.634 1.00 1.22 C ATOM 1196 C ALA A 77 -5.740 9.347 -0.110 1.00 1.23 C ATOM 1197 O ALA A 77 -6.477 9.585 0.815 1.00 1.33 O ATOM 1198 CB ALA A 77 -5.247 10.899 -2.027 1.00 1.42 C ATOM 0 H ALA A 77 -2.986 9.922 -1.637 1.00 0.94 H new ATOM 0 HA ALA A 77 -4.834 11.291 0.048 1.00 1.22 H new ATOM 0 HB1 ALA A 77 -6.264 11.288 -1.974 1.00 1.42 H new ATOM 0 HB2 ALA A 77 -4.577 11.681 -2.385 1.00 1.42 H new ATOM 0 HB3 ALA A 77 -5.218 10.054 -2.715 1.00 1.42 H new ATOM 1204 N TRP A 78 -5.690 8.179 -0.720 1.00 1.27 N ATOM 1205 CA TRP A 78 -6.563 7.048 -0.255 1.00 1.46 C ATOM 1206 C TRP A 78 -6.472 6.951 1.260 1.00 1.28 C ATOM 1207 O TRP A 78 -7.462 6.807 1.948 1.00 1.54 O ATOM 1208 CB TRP A 78 -6.099 5.711 -0.839 1.00 1.64 C ATOM 1209 CG TRP A 78 -7.012 4.531 -0.494 1.00 1.78 C ATOM 1210 CD1 TRP A 78 -7.998 4.025 -1.288 1.00 2.11 C ATOM 1211 CD2 TRP A 78 -7.119 3.806 0.680 1.00 1.68 C ATOM 1212 NE1 TRP A 78 -8.641 3.086 -0.661 1.00 2.14 N ATOM 1213 CE2 TRP A 78 -8.163 2.905 0.549 1.00 1.86 C ATOM 1214 CE3 TRP A 78 -6.392 3.881 1.859 1.00 1.57 C ATOM 1215 CZ2 TRP A 78 -8.507 2.072 1.588 1.00 1.82 C ATOM 1216 CZ3 TRP A 78 -6.754 3.033 2.899 1.00 1.64 C ATOM 1217 CH2 TRP A 78 -7.798 2.136 2.764 1.00 1.70 C ATOM 0 H TRP A 78 -5.087 7.963 -1.514 1.00 1.27 H new ATOM 0 HA TRP A 78 -7.583 7.247 -0.585 1.00 1.46 H new ATOM 0 HB2 TRP A 78 -6.035 5.803 -1.923 1.00 1.64 H new ATOM 0 HB3 TRP A 78 -5.093 5.497 -0.477 1.00 1.64 H new ATOM 0 HD1 TRP A 78 -8.213 4.357 -2.293 1.00 2.11 H new ATOM 0 HE1 TRP A 78 -9.418 2.557 -1.058 1.00 2.14 H new ATOM 0 HE3 TRP A 78 -5.572 4.575 1.965 1.00 1.57 H new ATOM 0 HZ2 TRP A 78 -9.325 1.375 1.481 1.00 1.82 H new ATOM 0 HZ3 TRP A 78 -6.209 3.075 3.831 1.00 1.64 H new ATOM 0 HH2 TRP A 78 -8.057 1.484 3.585 1.00 1.70 H new ATOM 1228 N VAL A 79 -5.260 6.971 1.746 1.00 0.97 N ATOM 1229 CA VAL A 79 -5.059 6.918 3.211 1.00 0.89 C ATOM 1230 C VAL A 79 -5.841 8.083 3.801 1.00 0.85 C ATOM 1231 O VAL A 79 -6.680 7.893 4.656 1.00 1.00 O ATOM 1232 CB VAL A 79 -3.552 7.014 3.515 1.00 0.86 C ATOM 1233 CG1 VAL A 79 -3.315 7.275 5.012 1.00 0.97 C ATOM 1234 CG2 VAL A 79 -2.886 5.688 3.117 1.00 0.99 C ATOM 0 H VAL A 79 -4.407 7.022 1.189 1.00 0.97 H new ATOM 0 HA VAL A 79 -5.414 5.985 3.649 1.00 0.89 H new ATOM 0 HB VAL A 79 -3.124 7.841 2.949 1.00 0.86 H new ATOM 0 HG11 VAL A 79 -2.244 7.339 5.205 1.00 0.97 H new ATOM 0 HG12 VAL A 79 -3.792 8.212 5.298 1.00 0.97 H new ATOM 0 HG13 VAL A 79 -3.740 6.459 5.596 1.00 0.97 H new ATOM 0 HG21 VAL A 79 -1.818 5.740 3.326 1.00 0.99 H new ATOM 0 HG22 VAL A 79 -3.328 4.873 3.689 1.00 0.99 H new ATOM 0 HG23 VAL A 79 -3.039 5.509 2.053 1.00 0.99 H new ATOM 1244 N LYS A 80 -5.620 9.255 3.276 1.00 0.90 N ATOM 1245 CA LYS A 80 -6.358 10.440 3.799 1.00 1.22 C ATOM 1246 C LYS A 80 -7.761 10.525 3.168 1.00 1.46 C ATOM 1247 O LYS A 80 -8.277 11.610 2.946 1.00 2.38 O ATOM 1248 CB LYS A 80 -5.560 11.702 3.442 1.00 1.22 C ATOM 1249 CG LYS A 80 -5.951 12.832 4.405 1.00 1.74 C ATOM 1250 CD LYS A 80 -6.706 13.951 3.661 1.00 2.50 C ATOM 1251 CE LYS A 80 -7.799 14.530 4.568 1.00 2.64 C ATOM 1252 NZ LYS A 80 -8.880 13.528 4.775 1.00 3.03 N ATOM 0 H LYS A 80 -4.968 9.444 2.515 1.00 0.90 H new ATOM 0 HA LYS A 80 -6.471 10.350 4.879 1.00 1.22 H new ATOM 0 HB2 LYS A 80 -4.491 11.503 3.510 1.00 1.22 H new ATOM 0 HB3 LYS A 80 -5.764 11.997 2.413 1.00 1.22 H new ATOM 0 HG2 LYS A 80 -6.577 12.434 5.204 1.00 1.74 H new ATOM 0 HG3 LYS A 80 -5.056 13.241 4.875 1.00 1.74 H new ATOM 0 HD2 LYS A 80 -6.011 14.737 3.365 1.00 2.50 H new ATOM 0 HD3 LYS A 80 -7.150 13.557 2.747 1.00 2.50 H new ATOM 0 HE2 LYS A 80 -7.370 14.817 5.528 1.00 2.64 H new ATOM 0 HE3 LYS A 80 -8.212 15.434 4.120 1.00 2.64 H new ATOM 0 HZ1 LYS A 80 -9.749 13.853 4.306 1.00 3.03 H new ATOM 0 HZ2 LYS A 80 -8.589 12.615 4.371 1.00 3.03 H new ATOM 0 HZ3 LYS A 80 -9.058 13.415 5.793 1.00 3.03 H new ATOM 1266 N GLU A 81 -8.330 9.388 2.892 1.00 1.87 N ATOM 1267 CA GLU A 81 -9.678 9.322 2.290 1.00 2.19 C ATOM 1268 C GLU A 81 -10.519 8.293 3.044 1.00 2.10 C ATOM 1269 O GLU A 81 -11.640 8.550 3.437 1.00 2.30 O ATOM 1270 CB GLU A 81 -9.466 8.889 0.837 1.00 2.79 C ATOM 1271 CG GLU A 81 -10.779 8.699 0.090 1.00 4.63 C ATOM 1272 CD GLU A 81 -10.507 7.881 -1.183 1.00 5.95 C ATOM 1273 OE1 GLU A 81 -9.708 8.359 -1.977 1.00 6.07 O ATOM 1274 OE2 GLU A 81 -11.084 6.809 -1.272 1.00 7.19 O ATOM 0 H GLU A 81 -7.901 8.479 3.065 1.00 1.87 H new ATOM 0 HA GLU A 81 -10.202 10.277 2.341 1.00 2.19 H new ATOM 0 HB2 GLU A 81 -8.863 9.637 0.322 1.00 2.79 H new ATOM 0 HB3 GLU A 81 -8.902 7.957 0.817 1.00 2.79 H new ATOM 0 HG2 GLU A 81 -11.503 8.185 0.722 1.00 4.63 H new ATOM 0 HG3 GLU A 81 -11.211 9.666 -0.167 1.00 4.63 H new ATOM 1281 N ASN A 82 -9.931 7.135 3.212 1.00 2.03 N ATOM 1282 CA ASN A 82 -10.620 6.018 3.919 1.00 2.08 C ATOM 1283 C ASN A 82 -10.109 5.853 5.346 1.00 1.81 C ATOM 1284 O ASN A 82 -10.743 5.172 6.133 1.00 2.10 O ATOM 1285 CB ASN A 82 -10.350 4.710 3.165 1.00 2.33 C ATOM 1286 CG ASN A 82 -10.905 4.817 1.746 1.00 2.30 C ATOM 1287 OD1 ASN A 82 -12.051 4.508 1.489 1.00 2.33 O ATOM 1288 ND2 ASN A 82 -10.138 5.277 0.807 1.00 2.55 N ATOM 0 H ASN A 82 -8.990 6.916 2.884 1.00 2.03 H new ATOM 0 HA ASN A 82 -11.685 6.250 3.952 1.00 2.08 H new ATOM 0 HB2 ASN A 82 -9.279 4.510 3.134 1.00 2.33 H new ATOM 0 HB3 ASN A 82 -10.815 3.874 3.687 1.00 2.33 H new ATOM 0 HD21 ASN A 82 -10.498 5.378 -0.142 1.00 2.55 H new ATOM 0 HD22 ASN A 82 -9.175 5.538 1.017 1.00 2.55 H new ATOM 1295 N LEU A 83 -8.979 6.439 5.670 1.00 1.39 N ATOM 1296 CA LEU A 83 -8.475 6.259 7.065 1.00 1.33 C ATOM 1297 C LEU A 83 -8.622 7.533 7.912 1.00 1.36 C ATOM 1298 O LEU A 83 -8.217 7.534 9.064 1.00 1.56 O ATOM 1299 CB LEU A 83 -7.006 5.804 7.034 1.00 1.23 C ATOM 1300 CG LEU A 83 -6.842 4.551 6.144 1.00 1.26 C ATOM 1301 CD1 LEU A 83 -5.424 4.007 6.302 1.00 1.24 C ATOM 1302 CD2 LEU A 83 -7.832 3.439 6.544 1.00 1.55 C ATOM 0 H LEU A 83 -8.404 7.013 5.053 1.00 1.39 H new ATOM 0 HA LEU A 83 -9.088 5.492 7.538 1.00 1.33 H new ATOM 0 HB2 LEU A 83 -6.378 6.610 6.655 1.00 1.23 H new ATOM 0 HB3 LEU A 83 -6.666 5.584 8.046 1.00 1.23 H new ATOM 0 HG LEU A 83 -7.040 4.844 5.113 1.00 1.26 H new ATOM 0 HD11 LEU A 83 -5.302 3.123 5.677 1.00 1.24 H new ATOM 0 HD12 LEU A 83 -4.706 4.769 5.998 1.00 1.24 H new ATOM 0 HD13 LEU A 83 -5.251 3.741 7.345 1.00 1.24 H new ATOM 0 HD21 LEU A 83 -7.688 2.574 5.897 1.00 1.55 H new ATOM 0 HD22 LEU A 83 -7.656 3.151 7.580 1.00 1.55 H new ATOM 0 HD23 LEU A 83 -8.853 3.805 6.438 1.00 1.55 H new ATOM 1314 N ASP A 84 -9.183 8.587 7.371 1.00 1.52 N ATOM 1315 CA ASP A 84 -9.365 9.803 8.236 1.00 1.70 C ATOM 1316 C ASP A 84 -10.848 9.867 8.637 1.00 2.56 C ATOM 1317 O ASP A 84 -11.345 10.868 9.127 1.00 2.96 O ATOM 1318 CB ASP A 84 -8.952 11.069 7.481 1.00 2.28 C ATOM 1319 CG ASP A 84 -9.793 11.233 6.221 1.00 4.02 C ATOM 1320 OD1 ASP A 84 -9.640 10.392 5.352 1.00 4.92 O ATOM 1321 OD2 ASP A 84 -10.487 12.233 6.178 1.00 5.24 O ATOM 0 H ASP A 84 -9.512 8.664 6.409 1.00 1.52 H new ATOM 0 HA ASP A 84 -8.735 9.737 9.123 1.00 1.70 H new ATOM 0 HB2 ASP A 84 -9.075 11.940 8.124 1.00 2.28 H new ATOM 0 HB3 ASP A 84 -7.896 11.015 7.217 1.00 2.28 H new