USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 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 61 GLN : amide:sc= -2.85 K(o=-13,f=-18!) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -9.86! C(o=-13!,f=-18!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -109:sc= 3.46 (180deg=0.729) USER MOD Set 2.2: A 49 GLN : amide:sc= 0.879 K(o=4.3,f=-11!) USER MOD Set 3.1: A 25 SER OG : rot 25:sc= 0.532 USER MOD Set 3.2: A 26 ASN : amide:sc= 0.527 K(o=1.1,f=0.49) USER MOD Set 4.1: A 1 MET N :NH3+ -128:sc= 1.95 (180deg=0.146) USER MOD Set 4.2: A 2 GLN : amide:sc= -0.213 K(o=1.7,f=-7.9) USER MOD Single : A 1 MET CE :methyl -122:sc= 0 (180deg=-0.107) USER MOD Single : A 3 THR OG1 : rot 160:sc= 1.67 USER MOD Single : A 9 SER OG : rot 34:sc= 1.86 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.722 USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= -0.713! (180deg=-0.852!) USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= -2.25! (180deg=-2.45!) USER MOD Single : A 32 GLN : amide:sc= 0.643 K(o=0.64,f=-0.021) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 35 TYR OH : rot -136:sc= 0.881 USER MOD Single : A 44 THR OG1 : rot 159:sc= 1.13 USER MOD Single : A 50 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.22) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= 0.401! (180deg=0.0199) USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 1.29 (180deg=1.03) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0295 USER MOD Single : A 66 GLN : amide:sc= 0.844 K(o=0.84,f=-0.17) USER MOD Single : A 67 GLN : amide:sc= 0.168 K(o=0.17,f=-0.61) USER MOD Single : A 72 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 73 THR OG1 : rot 92:sc= 0.608 USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= 0.346 (180deg=0.285) USER MOD Single : A 82 ASN : amide:sc= 0.0474 X(o=0.047,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.822 -4.404 5.725 1.00 2.09 N ATOM 2 CA MET A 1 -8.032 -3.407 4.972 1.00 1.42 C ATOM 3 C MET A 1 -6.670 -4.030 4.663 1.00 1.35 C ATOM 4 O MET A 1 -5.710 -3.790 5.369 1.00 1.54 O ATOM 5 CB MET A 1 -7.861 -2.123 5.801 1.00 1.42 C ATOM 6 CG MET A 1 -7.406 -0.987 4.884 1.00 2.54 C ATOM 7 SD MET A 1 -8.462 -0.634 3.458 1.00 2.70 S ATOM 8 CE MET A 1 -9.809 0.218 4.318 1.00 1.42 C ATOM 0 H1 MET A 1 -9.748 -4.530 5.268 1.00 2.09 H new ATOM 0 H2 MET A 1 -8.315 -5.312 5.737 1.00 2.09 H new ATOM 0 H3 MET A 1 -8.960 -4.072 6.701 1.00 2.09 H new ATOM 0 HA MET A 1 -8.543 -3.137 4.047 1.00 1.42 H new ATOM 0 HB2 MET A 1 -8.802 -1.861 6.285 1.00 1.42 H new ATOM 0 HB3 MET A 1 -7.129 -2.282 6.593 1.00 1.42 H new ATOM 0 HG2 MET A 1 -7.322 -0.079 5.481 1.00 2.54 H new ATOM 0 HG3 MET A 1 -6.406 -1.222 4.519 1.00 2.54 H new ATOM 0 HE1 MET A 1 -10.748 -0.304 4.131 1.00 1.42 H new ATOM 0 HE2 MET A 1 -9.607 0.229 5.389 1.00 1.42 H new ATOM 0 HE3 MET A 1 -9.884 1.242 3.952 1.00 1.42 H new ATOM 18 N GLN A 2 -6.637 -4.844 3.640 1.00 1.21 N ATOM 19 CA GLN A 2 -5.360 -5.517 3.241 1.00 1.26 C ATOM 20 C GLN A 2 -4.718 -4.675 2.147 1.00 1.11 C ATOM 21 O GLN A 2 -5.109 -4.727 1.001 1.00 1.59 O ATOM 22 CB GLN A 2 -5.637 -6.936 2.697 1.00 1.45 C ATOM 23 CG GLN A 2 -6.123 -7.868 3.821 1.00 1.72 C ATOM 24 CD GLN A 2 -7.550 -7.486 4.212 1.00 2.73 C ATOM 25 OE1 GLN A 2 -7.779 -6.826 5.201 1.00 3.70 O ATOM 26 NE2 GLN A 2 -8.530 -7.848 3.446 1.00 3.76 N ATOM 0 H GLN A 2 -7.443 -5.074 3.059 1.00 1.21 H new ATOM 0 HA GLN A 2 -4.703 -5.607 4.106 1.00 1.26 H new ATOM 0 HB2 GLN A 2 -6.388 -6.888 1.909 1.00 1.45 H new ATOM 0 HB3 GLN A 2 -4.730 -7.342 2.249 1.00 1.45 H new ATOM 0 HG2 GLN A 2 -6.090 -8.906 3.488 1.00 1.72 H new ATOM 0 HG3 GLN A 2 -5.463 -7.789 4.685 1.00 1.72 H new ATOM 0 HE21 GLN A 2 -8.346 -8.404 2.611 1.00 3.76 H new ATOM 0 HE22 GLN A 2 -9.486 -7.577 3.678 1.00 3.76 H new ATOM 35 N THR A 3 -3.760 -3.892 2.526 1.00 0.61 N ATOM 36 CA THR A 3 -3.099 -3.014 1.529 1.00 0.53 C ATOM 37 C THR A 3 -1.946 -3.776 0.872 1.00 0.55 C ATOM 38 O THR A 3 -1.025 -4.211 1.528 1.00 0.78 O ATOM 39 CB THR A 3 -2.623 -1.775 2.292 1.00 0.51 C ATOM 40 OG1 THR A 3 -3.732 -1.445 3.125 1.00 0.71 O ATOM 41 CG2 THR A 3 -2.459 -0.557 1.381 1.00 0.86 C ATOM 0 H THR A 3 -3.404 -3.819 3.479 1.00 0.61 H new ATOM 0 HA THR A 3 -3.770 -2.710 0.726 1.00 0.53 H new ATOM 0 HB THR A 3 -1.674 -1.986 2.785 1.00 0.51 H new ATOM 0 HG1 THR A 3 -3.427 -0.887 3.870 1.00 0.71 H new ATOM 0 HG21 THR A 3 -2.120 0.295 1.970 1.00 0.86 H new ATOM 0 HG22 THR A 3 -1.724 -0.778 0.607 1.00 0.86 H new ATOM 0 HG23 THR A 3 -3.416 -0.319 0.916 1.00 0.86 H new ATOM 49 N VAL A 4 -2.019 -3.913 -0.419 1.00 0.44 N ATOM 50 CA VAL A 4 -0.955 -4.669 -1.161 1.00 0.46 C ATOM 51 C VAL A 4 -0.108 -3.694 -1.964 1.00 0.42 C ATOM 52 O VAL A 4 -0.640 -2.812 -2.617 1.00 0.46 O ATOM 53 CB VAL A 4 -1.609 -5.678 -2.114 1.00 0.55 C ATOM 54 CG1 VAL A 4 -0.512 -6.502 -2.800 1.00 0.73 C ATOM 55 CG2 VAL A 4 -2.544 -6.611 -1.337 1.00 0.63 C ATOM 0 H VAL A 4 -2.767 -3.537 -1.001 1.00 0.44 H new ATOM 0 HA VAL A 4 -0.325 -5.200 -0.447 1.00 0.46 H new ATOM 0 HB VAL A 4 -2.193 -5.141 -2.862 1.00 0.55 H new ATOM 0 HG11 VAL A 4 -0.969 -7.222 -3.479 1.00 0.73 H new ATOM 0 HG12 VAL A 4 0.144 -5.838 -3.363 1.00 0.73 H new ATOM 0 HG13 VAL A 4 0.069 -7.033 -2.046 1.00 0.73 H new ATOM 0 HG21 VAL A 4 -3.002 -7.322 -2.024 1.00 0.63 H new ATOM 0 HG22 VAL A 4 -1.973 -7.152 -0.582 1.00 0.63 H new ATOM 0 HG23 VAL A 4 -3.323 -6.023 -0.851 1.00 0.63 H new ATOM 65 N ILE A 5 1.179 -3.889 -1.890 1.00 0.41 N ATOM 66 CA ILE A 5 2.130 -2.997 -2.613 1.00 0.40 C ATOM 67 C ILE A 5 2.935 -3.825 -3.627 1.00 0.42 C ATOM 68 O ILE A 5 3.718 -4.647 -3.221 1.00 0.49 O ATOM 69 CB ILE A 5 3.075 -2.388 -1.556 1.00 0.40 C ATOM 70 CG1 ILE A 5 2.292 -1.995 -0.280 1.00 0.58 C ATOM 71 CG2 ILE A 5 3.808 -1.169 -2.135 1.00 0.43 C ATOM 72 CD1 ILE A 5 1.215 -0.950 -0.580 1.00 1.55 C ATOM 0 H ILE A 5 1.618 -4.637 -1.353 1.00 0.41 H new ATOM 0 HA ILE A 5 1.602 -2.211 -3.153 1.00 0.40 H new ATOM 0 HB ILE A 5 3.814 -3.141 -1.282 1.00 0.40 H new ATOM 0 HG12 ILE A 5 1.829 -2.882 0.151 1.00 0.58 H new ATOM 0 HG13 ILE A 5 2.983 -1.602 0.465 1.00 0.58 H new ATOM 0 HG21 ILE A 5 4.471 -0.750 -1.378 1.00 0.43 H new ATOM 0 HG22 ILE A 5 4.394 -1.475 -3.002 1.00 0.43 H new ATOM 0 HG23 ILE A 5 3.080 -0.416 -2.437 1.00 0.43 H new ATOM 0 HD11 ILE A 5 0.686 -0.699 0.339 1.00 1.55 H new ATOM 0 HD12 ILE A 5 1.682 -0.053 -0.987 1.00 1.55 H new ATOM 0 HD13 ILE A 5 0.509 -1.353 -1.306 1.00 1.55 H new ATOM 84 N PHE A 6 2.710 -3.621 -4.904 1.00 0.41 N ATOM 85 CA PHE A 6 3.468 -4.396 -5.946 1.00 0.45 C ATOM 86 C PHE A 6 4.708 -3.608 -6.406 1.00 0.51 C ATOM 87 O PHE A 6 4.582 -2.723 -7.238 1.00 0.58 O ATOM 88 CB PHE A 6 2.562 -4.607 -7.173 1.00 0.52 C ATOM 89 CG PHE A 6 1.563 -5.749 -6.962 1.00 0.73 C ATOM 90 CD1 PHE A 6 0.319 -5.498 -6.416 1.00 0.97 C ATOM 91 CD2 PHE A 6 1.871 -7.037 -7.367 1.00 1.06 C ATOM 92 CE1 PHE A 6 -0.606 -6.515 -6.280 1.00 1.22 C ATOM 93 CE2 PHE A 6 0.948 -8.053 -7.230 1.00 1.29 C ATOM 94 CZ PHE A 6 -0.292 -7.792 -6.688 1.00 1.29 C ATOM 0 H PHE A 6 2.034 -2.952 -5.272 1.00 0.41 H new ATOM 0 HA PHE A 6 3.775 -5.349 -5.515 1.00 0.45 H new ATOM 0 HB2 PHE A 6 2.019 -3.686 -7.385 1.00 0.52 H new ATOM 0 HB3 PHE A 6 3.179 -4.822 -8.046 1.00 0.52 H new ATOM 0 HD1 PHE A 6 0.068 -4.499 -6.093 1.00 0.97 H new ATOM 0 HD2 PHE A 6 2.841 -7.248 -7.793 1.00 1.06 H new ATOM 0 HE1 PHE A 6 -1.576 -6.308 -5.853 1.00 1.22 H new ATOM 0 HE2 PHE A 6 1.197 -9.055 -7.548 1.00 1.29 H new ATOM 0 HZ PHE A 6 -1.015 -8.587 -6.584 1.00 1.29 H new ATOM 104 N GLY A 7 5.861 -3.925 -5.859 1.00 0.64 N ATOM 105 CA GLY A 7 7.123 -3.195 -6.260 1.00 0.75 C ATOM 106 C GLY A 7 8.206 -4.180 -6.737 1.00 0.92 C ATOM 107 O GLY A 7 7.892 -5.307 -7.082 1.00 1.06 O ATOM 0 H GLY A 7 5.988 -4.653 -5.156 1.00 0.64 H new ATOM 0 HA2 GLY A 7 6.898 -2.484 -7.055 1.00 0.75 H new ATOM 0 HA3 GLY A 7 7.498 -2.619 -5.414 1.00 0.75 H new ATOM 111 N ARG A 8 9.454 -3.745 -6.792 1.00 1.07 N ATOM 112 CA ARG A 8 10.540 -4.684 -7.254 1.00 1.37 C ATOM 113 C ARG A 8 11.753 -4.722 -6.273 1.00 1.72 C ATOM 114 O ARG A 8 12.849 -5.150 -6.634 1.00 3.09 O ATOM 115 CB ARG A 8 11.009 -4.246 -8.655 1.00 1.57 C ATOM 116 CG ARG A 8 11.765 -5.408 -9.328 1.00 2.46 C ATOM 117 CD ARG A 8 12.983 -4.854 -10.098 1.00 2.81 C ATOM 118 NE ARG A 8 14.049 -5.898 -10.338 1.00 3.90 N ATOM 119 CZ ARG A 8 13.937 -7.121 -9.903 1.00 5.06 C ATOM 120 NH1 ARG A 8 13.856 -7.310 -8.616 1.00 5.52 N ATOM 121 NH2 ARG A 8 13.938 -8.095 -10.769 1.00 6.55 N ATOM 0 H ARG A 8 9.761 -2.805 -6.544 1.00 1.07 H new ATOM 0 HA ARG A 8 10.127 -5.692 -7.283 1.00 1.37 H new ATOM 0 HB2 ARG A 8 10.152 -3.954 -9.263 1.00 1.57 H new ATOM 0 HB3 ARG A 8 11.657 -3.373 -8.577 1.00 1.57 H new ATOM 0 HG2 ARG A 8 12.093 -6.126 -8.576 1.00 2.46 H new ATOM 0 HG3 ARG A 8 11.102 -5.940 -10.010 1.00 2.46 H new ATOM 0 HD2 ARG A 8 12.650 -4.454 -11.056 1.00 2.81 H new ATOM 0 HD3 ARG A 8 13.414 -4.024 -9.538 1.00 2.81 H new ATOM 0 HE ARG A 8 14.886 -5.636 -10.859 1.00 3.90 H new ATOM 0 HH11 ARG A 8 13.881 -6.512 -7.981 1.00 5.52 H new ATOM 0 HH12 ARG A 8 13.768 -8.256 -8.244 1.00 5.52 H new ATOM 0 HH21 ARG A 8 14.025 -7.892 -11.765 1.00 6.55 H new ATOM 0 HH22 ARG A 8 13.852 -9.060 -10.451 1.00 6.55 H new ATOM 135 N SER A 9 11.522 -4.274 -5.059 1.00 1.66 N ATOM 136 CA SER A 9 12.564 -4.249 -3.965 1.00 2.01 C ATOM 137 C SER A 9 13.638 -3.184 -4.163 1.00 2.05 C ATOM 138 O SER A 9 13.793 -2.322 -3.329 1.00 3.03 O ATOM 139 CB SER A 9 13.272 -5.601 -3.820 1.00 2.39 C ATOM 140 OG SER A 9 12.242 -6.507 -3.455 1.00 3.05 O ATOM 0 H SER A 9 10.616 -3.908 -4.766 1.00 1.66 H new ATOM 0 HA SER A 9 11.999 -4.011 -3.064 1.00 2.01 H new ATOM 0 HB2 SER A 9 13.751 -5.900 -4.753 1.00 2.39 H new ATOM 0 HB3 SER A 9 14.052 -5.560 -3.060 1.00 2.39 H new ATOM 0 HG SER A 9 11.406 -6.247 -3.896 1.00 3.05 H new ATOM 146 N GLY A 10 14.336 -3.229 -5.266 1.00 2.57 N ATOM 147 CA GLY A 10 15.421 -2.218 -5.484 1.00 2.82 C ATOM 148 C GLY A 10 14.867 -0.956 -6.136 1.00 2.45 C ATOM 149 O GLY A 10 15.538 -0.316 -6.923 1.00 2.84 O ATOM 0 H GLY A 10 14.209 -3.908 -6.016 1.00 2.57 H new ATOM 0 HA2 GLY A 10 15.885 -1.966 -4.531 1.00 2.82 H new ATOM 0 HA3 GLY A 10 16.200 -2.646 -6.115 1.00 2.82 H new ATOM 153 N CYS A 11 13.670 -0.615 -5.758 1.00 1.96 N ATOM 154 CA CYS A 11 13.015 0.598 -6.326 1.00 1.79 C ATOM 155 C CYS A 11 12.667 1.584 -5.201 1.00 1.72 C ATOM 156 O CYS A 11 11.594 1.526 -4.637 1.00 1.95 O ATOM 157 CB CYS A 11 11.748 0.163 -7.066 1.00 1.69 C ATOM 158 SG CYS A 11 10.541 1.446 -7.472 1.00 2.63 S ATOM 0 H CYS A 11 13.111 -1.127 -5.075 1.00 1.96 H new ATOM 0 HA CYS A 11 13.691 1.099 -7.019 1.00 1.79 H new ATOM 0 HB2 CYS A 11 12.050 -0.322 -7.994 1.00 1.69 H new ATOM 0 HB3 CYS A 11 11.247 -0.592 -6.461 1.00 1.69 H new ATOM 163 N PRO A 12 13.599 2.466 -4.874 1.00 1.81 N ATOM 164 CA PRO A 12 13.399 3.491 -3.817 1.00 1.81 C ATOM 165 C PRO A 12 11.969 4.048 -3.805 1.00 1.58 C ATOM 166 O PRO A 12 11.316 4.044 -2.783 1.00 1.82 O ATOM 167 CB PRO A 12 14.446 4.557 -4.147 1.00 2.20 C ATOM 168 CG PRO A 12 15.584 3.787 -4.853 1.00 2.60 C ATOM 169 CD PRO A 12 14.917 2.589 -5.556 1.00 2.21 C ATOM 0 HA PRO A 12 13.522 3.087 -2.812 1.00 1.81 H new ATOM 0 HB2 PRO A 12 14.032 5.331 -4.793 1.00 2.20 H new ATOM 0 HB3 PRO A 12 14.804 5.053 -3.245 1.00 2.20 H new ATOM 0 HG2 PRO A 12 16.098 4.424 -5.573 1.00 2.60 H new ATOM 0 HG3 PRO A 12 16.331 3.451 -4.134 1.00 2.60 H new ATOM 0 HD2 PRO A 12 14.799 2.767 -6.625 1.00 2.21 H new ATOM 0 HD3 PRO A 12 15.510 1.681 -5.448 1.00 2.21 H new ATOM 177 N TYR A 13 11.504 4.521 -4.933 1.00 1.51 N ATOM 178 CA TYR A 13 10.107 5.066 -4.966 1.00 1.48 C ATOM 179 C TYR A 13 9.132 3.991 -4.471 1.00 1.24 C ATOM 180 O TYR A 13 8.317 4.243 -3.605 1.00 1.36 O ATOM 181 CB TYR A 13 9.748 5.507 -6.397 1.00 1.70 C ATOM 182 CG TYR A 13 8.280 5.980 -6.474 1.00 1.39 C ATOM 183 CD1 TYR A 13 7.717 6.743 -5.465 1.00 2.36 C ATOM 184 CD2 TYR A 13 7.510 5.687 -7.584 1.00 2.19 C ATOM 185 CE1 TYR A 13 6.418 7.204 -5.568 1.00 3.01 C ATOM 186 CE2 TYR A 13 6.213 6.150 -7.684 1.00 2.62 C ATOM 187 CZ TYR A 13 5.654 6.909 -6.681 1.00 2.75 C ATOM 188 OH TYR A 13 4.343 7.348 -6.784 1.00 3.73 O ATOM 0 H TYR A 13 12.015 4.555 -5.815 1.00 1.51 H new ATOM 0 HA TYR A 13 10.037 5.936 -4.313 1.00 1.48 H new ATOM 0 HB2 TYR A 13 10.411 6.313 -6.711 1.00 1.70 H new ATOM 0 HB3 TYR A 13 9.904 4.678 -7.088 1.00 1.70 H new ATOM 0 HD1 TYR A 13 8.300 6.981 -4.587 1.00 2.36 H new ATOM 0 HD2 TYR A 13 7.927 5.090 -8.381 1.00 2.19 H new ATOM 0 HE1 TYR A 13 5.997 7.800 -4.772 1.00 3.01 H new ATOM 0 HE2 TYR A 13 5.629 5.913 -8.561 1.00 2.62 H new ATOM 0 HH TYR A 13 3.963 7.047 -7.636 1.00 3.73 H new ATOM 198 N CYS A 14 9.243 2.804 -5.013 1.00 1.11 N ATOM 199 CA CYS A 14 8.327 1.708 -4.566 1.00 1.04 C ATOM 200 C CYS A 14 8.474 1.502 -3.062 1.00 0.85 C ATOM 201 O CYS A 14 7.506 1.264 -2.363 1.00 0.84 O ATOM 202 CB CYS A 14 8.678 0.427 -5.320 1.00 1.22 C ATOM 203 SG CYS A 14 8.769 0.541 -7.123 1.00 2.50 S ATOM 0 H CYS A 14 9.917 2.548 -5.735 1.00 1.11 H new ATOM 0 HA CYS A 14 7.292 1.974 -4.780 1.00 1.04 H new ATOM 0 HB2 CYS A 14 9.640 0.070 -4.953 1.00 1.22 H new ATOM 0 HB3 CYS A 14 7.938 -0.331 -5.064 1.00 1.22 H new ATOM 208 N VAL A 15 9.687 1.590 -2.598 1.00 0.85 N ATOM 209 CA VAL A 15 9.914 1.414 -1.136 1.00 0.84 C ATOM 210 C VAL A 15 9.138 2.478 -0.339 1.00 0.74 C ATOM 211 O VAL A 15 8.394 2.123 0.545 1.00 0.86 O ATOM 212 CB VAL A 15 11.413 1.503 -0.834 1.00 1.05 C ATOM 213 CG1 VAL A 15 11.637 1.301 0.672 1.00 1.24 C ATOM 214 CG2 VAL A 15 12.130 0.379 -1.598 1.00 1.26 C ATOM 0 H VAL A 15 10.521 1.773 -3.156 1.00 0.85 H new ATOM 0 HA VAL A 15 9.549 0.432 -0.835 1.00 0.84 H new ATOM 0 HB VAL A 15 11.800 2.476 -1.136 1.00 1.05 H new ATOM 0 HG11 VAL A 15 12.703 1.363 0.893 1.00 1.24 H new ATOM 0 HG12 VAL A 15 11.106 2.075 1.226 1.00 1.24 H new ATOM 0 HG13 VAL A 15 11.262 0.321 0.967 1.00 1.24 H new ATOM 0 HG21 VAL A 15 13.200 0.426 -1.395 1.00 1.26 H new ATOM 0 HG22 VAL A 15 11.741 -0.586 -1.274 1.00 1.26 H new ATOM 0 HG23 VAL A 15 11.958 0.499 -2.668 1.00 1.26 H new ATOM 224 N ARG A 16 9.326 3.749 -0.648 1.00 0.75 N ATOM 225 CA ARG A 16 8.590 4.840 0.098 1.00 0.90 C ATOM 226 C ARG A 16 7.168 4.384 0.465 1.00 0.96 C ATOM 227 O ARG A 16 6.729 4.539 1.589 1.00 1.53 O ATOM 228 CB ARG A 16 8.574 6.086 -0.810 1.00 0.99 C ATOM 229 CG ARG A 16 7.356 7.004 -0.573 1.00 1.71 C ATOM 230 CD ARG A 16 7.559 7.972 0.612 1.00 2.07 C ATOM 231 NE ARG A 16 7.354 7.271 1.914 1.00 2.29 N ATOM 232 CZ ARG A 16 6.288 7.513 2.609 1.00 3.21 C ATOM 233 NH1 ARG A 16 6.227 8.612 3.300 1.00 3.86 N ATOM 234 NH2 ARG A 16 5.338 6.645 2.568 1.00 4.43 N ATOM 0 H ARG A 16 9.954 4.078 -1.381 1.00 0.75 H new ATOM 0 HA ARG A 16 9.090 5.074 1.038 1.00 0.90 H new ATOM 0 HB2 ARG A 16 9.487 6.658 -0.645 1.00 0.99 H new ATOM 0 HB3 ARG A 16 8.581 5.767 -1.852 1.00 0.99 H new ATOM 0 HG2 ARG A 16 7.159 7.580 -1.477 1.00 1.71 H new ATOM 0 HG3 ARG A 16 6.474 6.390 -0.388 1.00 1.71 H new ATOM 0 HD2 ARG A 16 8.564 8.392 0.575 1.00 2.07 H new ATOM 0 HD3 ARG A 16 6.861 8.806 0.529 1.00 2.07 H new ATOM 0 HE ARG A 16 8.049 6.606 2.254 1.00 2.29 H new ATOM 0 HH11 ARG A 16 7.010 9.266 3.289 1.00 3.86 H new ATOM 0 HH12 ARG A 16 5.396 8.821 3.854 1.00 3.86 H new ATOM 0 HH21 ARG A 16 5.441 5.803 2.002 1.00 4.43 H new ATOM 0 HH22 ARG A 16 4.483 6.800 3.102 1.00 4.43 H new ATOM 248 N ALA A 17 6.454 3.899 -0.522 1.00 0.76 N ATOM 249 CA ALA A 17 5.053 3.403 -0.285 1.00 0.76 C ATOM 250 C ALA A 17 4.956 2.615 1.033 1.00 0.76 C ATOM 251 O ALA A 17 4.106 2.879 1.863 1.00 0.92 O ATOM 252 CB ALA A 17 4.644 2.492 -1.450 1.00 0.73 C ATOM 0 H ALA A 17 6.779 3.823 -1.486 1.00 0.76 H new ATOM 0 HA ALA A 17 4.387 4.263 -0.218 1.00 0.76 H new ATOM 0 HB1 ALA A 17 3.630 2.127 -1.288 1.00 0.73 H new ATOM 0 HB2 ALA A 17 4.682 3.055 -2.383 1.00 0.73 H new ATOM 0 HB3 ALA A 17 5.329 1.646 -1.508 1.00 0.73 H new ATOM 258 N LYS A 18 5.874 1.707 1.214 1.00 0.67 N ATOM 259 CA LYS A 18 5.871 0.864 2.442 1.00 0.72 C ATOM 260 C LYS A 18 5.804 1.714 3.723 1.00 0.74 C ATOM 261 O LYS A 18 5.099 1.353 4.640 1.00 0.77 O ATOM 262 CB LYS A 18 7.142 -0.015 2.410 1.00 0.80 C ATOM 263 CG LYS A 18 7.570 -0.448 3.824 1.00 1.15 C ATOM 264 CD LYS A 18 8.620 0.556 4.317 1.00 1.50 C ATOM 265 CE LYS A 18 8.904 0.392 5.808 1.00 2.05 C ATOM 266 NZ LYS A 18 9.590 1.616 6.307 1.00 3.02 N ATOM 0 H LYS A 18 6.631 1.511 0.559 1.00 0.67 H new ATOM 0 HA LYS A 18 4.980 0.237 2.456 1.00 0.72 H new ATOM 0 HB2 LYS A 18 6.958 -0.899 1.799 1.00 0.80 H new ATOM 0 HB3 LYS A 18 7.954 0.537 1.937 1.00 0.80 H new ATOM 0 HG2 LYS A 18 6.712 -0.466 4.496 1.00 1.15 H new ATOM 0 HG3 LYS A 18 7.983 -1.457 3.807 1.00 1.15 H new ATOM 0 HD2 LYS A 18 9.544 0.422 3.754 1.00 1.50 H new ATOM 0 HD3 LYS A 18 8.272 1.571 4.122 1.00 1.50 H new ATOM 0 HE2 LYS A 18 7.974 0.233 6.353 1.00 2.05 H new ATOM 0 HE3 LYS A 18 9.528 -0.485 5.978 1.00 2.05 H new ATOM 0 HZ1 LYS A 18 9.742 1.535 7.333 1.00 3.02 H new ATOM 0 HZ2 LYS A 18 10.507 1.720 5.828 1.00 3.02 H new ATOM 0 HZ3 LYS A 18 9.000 2.449 6.109 1.00 3.02 H new ATOM 280 N ASP A 19 6.523 2.805 3.779 1.00 0.79 N ATOM 281 CA ASP A 19 6.480 3.640 5.025 1.00 0.86 C ATOM 282 C ASP A 19 5.035 3.976 5.381 1.00 0.76 C ATOM 283 O ASP A 19 4.598 3.821 6.500 1.00 0.78 O ATOM 284 CB ASP A 19 7.218 4.959 4.805 1.00 1.10 C ATOM 285 CG ASP A 19 8.584 4.743 4.179 1.00 1.52 C ATOM 286 OD1 ASP A 19 9.193 3.729 4.480 1.00 2.49 O ATOM 287 OD2 ASP A 19 8.948 5.631 3.446 1.00 2.63 O ATOM 0 H ASP A 19 7.128 3.152 3.035 1.00 0.79 H new ATOM 0 HA ASP A 19 6.951 3.070 5.826 1.00 0.86 H new ATOM 0 HB2 ASP A 19 6.622 5.606 4.162 1.00 1.10 H new ATOM 0 HB3 ASP A 19 7.332 5.475 5.758 1.00 1.10 H new ATOM 292 N LEU A 20 4.345 4.454 4.384 1.00 0.72 N ATOM 293 CA LEU A 20 2.913 4.846 4.564 1.00 0.68 C ATOM 294 C LEU A 20 2.209 3.749 5.373 1.00 0.66 C ATOM 295 O LEU A 20 1.654 3.975 6.443 1.00 0.73 O ATOM 296 CB LEU A 20 2.279 4.961 3.163 1.00 0.72 C ATOM 297 CG LEU A 20 1.097 5.950 3.121 1.00 0.67 C ATOM 298 CD1 LEU A 20 0.144 5.715 4.302 1.00 1.69 C ATOM 299 CD2 LEU A 20 1.613 7.397 3.129 1.00 1.74 C ATOM 0 H LEU A 20 4.712 4.592 3.442 1.00 0.72 H new ATOM 0 HA LEU A 20 2.821 5.795 5.092 1.00 0.68 H new ATOM 0 HB2 LEU A 20 3.039 5.280 2.450 1.00 0.72 H new ATOM 0 HB3 LEU A 20 1.935 3.977 2.843 1.00 0.72 H new ATOM 0 HG LEU A 20 0.542 5.780 2.198 1.00 0.67 H new ATOM 0 HD11 LEU A 20 -0.682 6.425 4.250 1.00 1.69 H new ATOM 0 HD12 LEU A 20 -0.248 4.699 4.257 1.00 1.69 H new ATOM 0 HD13 LEU A 20 0.684 5.854 5.239 1.00 1.69 H new ATOM 0 HD21 LEU A 20 0.768 8.085 3.099 1.00 1.74 H new ATOM 0 HD22 LEU A 20 2.191 7.572 4.036 1.00 1.74 H new ATOM 0 HD23 LEU A 20 2.246 7.562 2.257 1.00 1.74 H new ATOM 311 N ALA A 21 2.318 2.563 4.835 1.00 0.67 N ATOM 312 CA ALA A 21 1.690 1.373 5.480 1.00 0.77 C ATOM 313 C ALA A 21 2.270 1.176 6.883 1.00 0.85 C ATOM 314 O ALA A 21 1.529 0.985 7.833 1.00 0.90 O ATOM 315 CB ALA A 21 1.970 0.140 4.618 1.00 0.91 C ATOM 0 H ALA A 21 2.820 2.366 3.969 1.00 0.67 H new ATOM 0 HA ALA A 21 0.614 1.523 5.567 1.00 0.77 H new ATOM 0 HB1 ALA A 21 1.516 -0.737 5.079 1.00 0.91 H new ATOM 0 HB2 ALA A 21 1.547 0.287 3.624 1.00 0.91 H new ATOM 0 HB3 ALA A 21 3.047 -0.010 4.536 1.00 0.91 H new ATOM 321 N GLU A 22 3.578 1.197 6.948 1.00 0.92 N ATOM 322 CA GLU A 22 4.302 1.040 8.242 1.00 1.13 C ATOM 323 C GLU A 22 3.652 1.923 9.310 1.00 1.02 C ATOM 324 O GLU A 22 3.299 1.452 10.378 1.00 1.09 O ATOM 325 CB GLU A 22 5.757 1.462 7.997 1.00 1.40 C ATOM 326 CG GLU A 22 6.650 1.096 9.184 1.00 1.88 C ATOM 327 CD GLU A 22 8.093 1.463 8.843 1.00 2.67 C ATOM 328 OE1 GLU A 22 8.331 2.651 8.684 1.00 4.22 O ATOM 329 OE2 GLU A 22 8.871 0.542 8.672 1.00 2.38 O ATOM 0 H GLU A 22 4.186 1.319 6.138 1.00 0.92 H new ATOM 0 HA GLU A 22 4.261 0.010 8.597 1.00 1.13 H new ATOM 0 HB2 GLU A 22 6.131 0.978 7.095 1.00 1.40 H new ATOM 0 HB3 GLU A 22 5.802 2.537 7.824 1.00 1.40 H new ATOM 0 HG2 GLU A 22 6.326 1.628 10.079 1.00 1.88 H new ATOM 0 HG3 GLU A 22 6.572 0.031 9.401 1.00 1.88 H new ATOM 336 N LYS A 23 3.519 3.186 8.995 1.00 1.01 N ATOM 337 CA LYS A 23 2.913 4.140 9.901 1.00 1.06 C ATOM 338 C LYS A 23 1.504 3.676 10.275 1.00 0.91 C ATOM 339 O LYS A 23 1.231 3.319 11.403 1.00 1.07 O ATOM 340 CB LYS A 23 2.859 5.443 9.117 1.00 1.19 C ATOM 341 CG LYS A 23 4.260 5.965 8.735 1.00 1.73 C ATOM 342 CD LYS A 23 5.128 6.244 9.977 1.00 2.60 C ATOM 343 CE LYS A 23 4.388 7.090 11.033 1.00 3.26 C ATOM 344 NZ LYS A 23 3.539 8.157 10.413 1.00 3.56 N ATOM 0 H LYS A 23 3.825 3.585 8.108 1.00 1.01 H new ATOM 0 HA LYS A 23 3.471 4.250 10.831 1.00 1.06 H new ATOM 0 HB2 LYS A 23 2.272 5.293 8.211 1.00 1.19 H new ATOM 0 HB3 LYS A 23 2.343 6.198 9.710 1.00 1.19 H new ATOM 0 HG2 LYS A 23 4.759 5.233 8.100 1.00 1.73 H new ATOM 0 HG3 LYS A 23 4.160 6.879 8.150 1.00 1.73 H new ATOM 0 HD2 LYS A 23 5.434 5.298 10.423 1.00 2.60 H new ATOM 0 HD3 LYS A 23 6.037 6.762 9.673 1.00 2.60 H new ATOM 0 HE2 LYS A 23 3.762 6.439 11.643 1.00 3.26 H new ATOM 0 HE3 LYS A 23 5.116 7.550 11.702 1.00 3.26 H new ATOM 0 HZ1 LYS A 23 2.959 8.610 11.148 1.00 3.56 H new ATOM 0 HZ2 LYS A 23 4.150 8.870 9.965 1.00 3.56 H new ATOM 0 HZ3 LYS A 23 2.918 7.733 9.694 1.00 3.56 H new ATOM 358 N LEU A 24 0.659 3.629 9.283 1.00 0.77 N ATOM 359 CA LEU A 24 -0.755 3.212 9.517 1.00 0.71 C ATOM 360 C LEU A 24 -0.881 1.983 10.423 1.00 0.66 C ATOM 361 O LEU A 24 -1.526 2.053 11.447 1.00 0.76 O ATOM 362 CB LEU A 24 -1.404 2.898 8.170 1.00 0.66 C ATOM 363 CG LEU A 24 -1.606 4.183 7.368 1.00 0.85 C ATOM 364 CD1 LEU A 24 -1.958 3.809 5.928 1.00 0.85 C ATOM 365 CD2 LEU A 24 -2.763 4.983 7.977 1.00 1.22 C ATOM 0 H LEU A 24 0.886 3.862 8.316 1.00 0.77 H new ATOM 0 HA LEU A 24 -1.254 4.038 10.024 1.00 0.71 H new ATOM 0 HB2 LEU A 24 -0.777 2.205 7.609 1.00 0.66 H new ATOM 0 HB3 LEU A 24 -2.363 2.404 8.327 1.00 0.66 H new ATOM 0 HG LEU A 24 -0.697 4.784 7.389 1.00 0.85 H new ATOM 0 HD11 LEU A 24 -2.105 4.716 5.342 1.00 0.85 H new ATOM 0 HD12 LEU A 24 -1.146 3.225 5.495 1.00 0.85 H new ATOM 0 HD13 LEU A 24 -2.874 3.218 5.919 1.00 0.85 H new ATOM 0 HD21 LEU A 24 -2.910 5.901 7.408 1.00 1.22 H new ATOM 0 HD22 LEU A 24 -3.674 4.386 7.945 1.00 1.22 H new ATOM 0 HD23 LEU A 24 -2.528 5.232 9.012 1.00 1.22 H new ATOM 377 N SER A 25 -0.251 0.905 10.036 1.00 0.57 N ATOM 378 CA SER A 25 -0.335 -0.369 10.832 1.00 0.61 C ATOM 379 C SER A 25 -0.093 -0.210 12.343 1.00 0.83 C ATOM 380 O SER A 25 -0.332 -1.136 13.090 1.00 1.13 O ATOM 381 CB SER A 25 0.662 -1.389 10.262 1.00 0.68 C ATOM 382 OG SER A 25 1.893 -0.692 10.026 1.00 2.01 O ATOM 0 H SER A 25 0.325 0.846 9.196 1.00 0.57 H new ATOM 0 HA SER A 25 -1.365 -0.711 10.734 1.00 0.61 H new ATOM 0 HB2 SER A 25 0.813 -2.211 10.961 1.00 0.68 H new ATOM 0 HB3 SER A 25 0.282 -1.823 9.337 1.00 0.68 H new ATOM 0 HG SER A 25 1.942 0.092 10.611 1.00 2.01 H new ATOM 388 N ASN A 26 0.392 0.928 12.758 1.00 0.98 N ATOM 389 CA ASN A 26 0.662 1.153 14.211 1.00 1.25 C ATOM 390 C ASN A 26 -0.100 2.389 14.713 1.00 1.34 C ATOM 391 O ASN A 26 -0.575 2.424 15.838 1.00 1.97 O ATOM 392 CB ASN A 26 2.173 1.341 14.366 1.00 1.40 C ATOM 393 CG ASN A 26 2.871 0.010 14.056 1.00 1.99 C ATOM 394 OD1 ASN A 26 3.007 -0.835 14.912 1.00 2.48 O ATOM 395 ND2 ASN A 26 3.310 -0.232 12.849 1.00 3.03 N ATOM 0 H ASN A 26 0.615 1.717 12.152 1.00 0.98 H new ATOM 0 HA ASN A 26 0.323 0.304 14.805 1.00 1.25 H new ATOM 0 HB2 ASN A 26 2.528 2.120 13.691 1.00 1.40 H new ATOM 0 HB3 ASN A 26 2.411 1.665 15.379 1.00 1.40 H new ATOM 0 HD21 ASN A 26 3.760 -1.123 12.639 1.00 3.03 H new ATOM 0 HD22 ASN A 26 3.203 0.470 12.117 1.00 3.03 H new ATOM 402 N GLU A 27 -0.190 3.371 13.851 1.00 1.17 N ATOM 403 CA GLU A 27 -0.907 4.642 14.188 1.00 1.34 C ATOM 404 C GLU A 27 -2.435 4.418 14.177 1.00 1.41 C ATOM 405 O GLU A 27 -3.167 5.070 14.906 1.00 1.79 O ATOM 406 CB GLU A 27 -0.514 5.713 13.146 1.00 1.47 C ATOM 407 CG GLU A 27 0.945 6.163 13.373 1.00 2.24 C ATOM 408 CD GLU A 27 1.385 7.206 12.324 1.00 2.46 C ATOM 409 OE1 GLU A 27 0.958 7.090 11.192 1.00 2.43 O ATOM 410 OE2 GLU A 27 2.197 8.042 12.683 1.00 3.66 O ATOM 0 H GLU A 27 0.209 3.346 12.913 1.00 1.17 H new ATOM 0 HA GLU A 27 -0.624 4.973 15.187 1.00 1.34 H new ATOM 0 HB2 GLU A 27 -0.626 5.311 12.139 1.00 1.47 H new ATOM 0 HB3 GLU A 27 -1.183 6.570 13.223 1.00 1.47 H new ATOM 0 HG2 GLU A 27 1.045 6.586 14.373 1.00 2.24 H new ATOM 0 HG3 GLU A 27 1.605 5.297 13.326 1.00 2.24 H new ATOM 417 N ARG A 28 -2.880 3.515 13.338 1.00 1.22 N ATOM 418 CA ARG A 28 -4.346 3.222 13.260 1.00 1.34 C ATOM 419 C ARG A 28 -4.642 1.836 13.844 1.00 1.34 C ATOM 420 O ARG A 28 -3.782 1.220 14.441 1.00 1.94 O ATOM 421 CB ARG A 28 -4.860 3.310 11.804 1.00 1.37 C ATOM 422 CG ARG A 28 -5.779 4.547 11.666 1.00 1.68 C ATOM 423 CD ARG A 28 -6.782 4.348 10.522 1.00 2.08 C ATOM 424 NE ARG A 28 -7.906 3.469 11.003 1.00 3.53 N ATOM 425 CZ ARG A 28 -9.153 3.892 11.069 1.00 4.27 C ATOM 426 NH1 ARG A 28 -9.517 5.000 10.475 1.00 4.48 N ATOM 427 NH2 ARG A 28 -10.008 3.163 11.731 1.00 5.47 N ATOM 0 H ARG A 28 -2.294 2.970 12.706 1.00 1.22 H new ATOM 0 HA ARG A 28 -4.871 3.975 13.848 1.00 1.34 H new ATOM 0 HB2 ARG A 28 -4.021 3.386 11.113 1.00 1.37 H new ATOM 0 HB3 ARG A 28 -5.407 2.404 11.543 1.00 1.37 H new ATOM 0 HG2 ARG A 28 -6.314 4.716 12.601 1.00 1.68 H new ATOM 0 HG3 ARG A 28 -5.176 5.436 11.478 1.00 1.68 H new ATOM 0 HD2 ARG A 28 -7.172 5.311 10.191 1.00 2.08 H new ATOM 0 HD3 ARG A 28 -6.289 3.892 9.664 1.00 2.08 H new ATOM 0 HE ARG A 28 -7.695 2.513 11.288 1.00 3.53 H new ATOM 0 HH11 ARG A 28 -8.833 5.547 9.953 1.00 4.48 H new ATOM 0 HH12 ARG A 28 -10.485 5.316 10.534 1.00 4.48 H new ATOM 0 HH21 ARG A 28 -9.703 2.297 12.176 1.00 5.47 H new ATOM 0 HH22 ARG A 28 -10.982 3.458 11.804 1.00 5.47 H new ATOM 441 N ASP A 29 -5.831 1.355 13.583 1.00 1.54 N ATOM 442 CA ASP A 29 -6.281 0.046 14.148 1.00 1.71 C ATOM 443 C ASP A 29 -6.130 -1.189 13.235 1.00 1.30 C ATOM 444 O ASP A 29 -5.204 -1.959 13.399 1.00 1.84 O ATOM 445 CB ASP A 29 -7.770 0.227 14.549 1.00 2.40 C ATOM 446 CG ASP A 29 -8.621 0.920 13.456 1.00 3.63 C ATOM 447 OD1 ASP A 29 -8.115 1.132 12.362 1.00 4.51 O ATOM 448 OD2 ASP A 29 -9.748 1.239 13.771 1.00 4.53 O ATOM 0 H ASP A 29 -6.520 1.821 12.993 1.00 1.54 H new ATOM 0 HA ASP A 29 -5.621 -0.180 14.986 1.00 1.71 H new ATOM 0 HB2 ASP A 29 -8.201 -0.750 14.769 1.00 2.40 H new ATOM 0 HB3 ASP A 29 -7.823 0.813 15.466 1.00 2.40 H new ATOM 453 N ASP A 30 -7.020 -1.343 12.285 1.00 1.16 N ATOM 454 CA ASP A 30 -6.982 -2.543 11.385 1.00 1.24 C ATOM 455 C ASP A 30 -5.862 -2.492 10.353 1.00 1.37 C ATOM 456 O ASP A 30 -5.025 -3.367 10.328 1.00 2.90 O ATOM 457 CB ASP A 30 -8.333 -2.648 10.647 1.00 1.78 C ATOM 458 CG ASP A 30 -8.239 -3.678 9.502 1.00 3.06 C ATOM 459 OD1 ASP A 30 -7.848 -4.794 9.796 1.00 4.13 O ATOM 460 OD2 ASP A 30 -8.560 -3.300 8.383 1.00 3.57 O ATOM 0 H ASP A 30 -7.776 -0.686 12.092 1.00 1.16 H new ATOM 0 HA ASP A 30 -6.794 -3.412 12.016 1.00 1.24 H new ATOM 0 HB2 ASP A 30 -9.115 -2.942 11.347 1.00 1.78 H new ATOM 0 HB3 ASP A 30 -8.613 -1.674 10.247 1.00 1.78 H new ATOM 465 N PHE A 31 -5.892 -1.474 9.533 1.00 0.93 N ATOM 466 CA PHE A 31 -4.874 -1.295 8.440 1.00 0.70 C ATOM 467 C PHE A 31 -3.807 -2.404 8.372 1.00 0.71 C ATOM 468 O PHE A 31 -2.810 -2.369 9.075 1.00 0.79 O ATOM 469 CB PHE A 31 -4.162 0.058 8.587 1.00 0.57 C ATOM 470 CG PHE A 31 -3.309 0.266 7.326 1.00 0.51 C ATOM 471 CD1 PHE A 31 -3.866 0.794 6.173 1.00 0.68 C ATOM 472 CD2 PHE A 31 -2.005 -0.192 7.286 1.00 0.52 C ATOM 473 CE1 PHE A 31 -3.138 0.848 5.001 1.00 0.79 C ATOM 474 CE2 PHE A 31 -1.279 -0.134 6.120 1.00 0.62 C ATOM 475 CZ PHE A 31 -1.844 0.382 4.976 1.00 0.74 C ATOM 0 H PHE A 31 -6.596 -0.737 9.572 1.00 0.93 H new ATOM 0 HA PHE A 31 -5.445 -1.345 7.513 1.00 0.70 H new ATOM 0 HB2 PHE A 31 -4.888 0.864 8.697 1.00 0.57 H new ATOM 0 HB3 PHE A 31 -3.537 0.068 9.480 1.00 0.57 H new ATOM 0 HD1 PHE A 31 -4.879 1.167 6.191 1.00 0.68 H new ATOM 0 HD2 PHE A 31 -1.553 -0.599 8.178 1.00 0.52 H new ATOM 0 HE1 PHE A 31 -3.584 1.255 4.106 1.00 0.79 H new ATOM 0 HE2 PHE A 31 -0.261 -0.495 6.102 1.00 0.62 H new ATOM 0 HZ PHE A 31 -1.273 0.421 4.060 1.00 0.74 H new ATOM 485 N GLN A 32 -4.035 -3.351 7.501 1.00 0.81 N ATOM 486 CA GLN A 32 -3.058 -4.459 7.324 1.00 0.87 C ATOM 487 C GLN A 32 -2.355 -4.179 5.997 1.00 0.80 C ATOM 488 O GLN A 32 -2.890 -3.456 5.164 1.00 1.33 O ATOM 489 CB GLN A 32 -3.799 -5.802 7.205 1.00 1.22 C ATOM 490 CG GLN A 32 -4.620 -6.094 8.469 1.00 1.47 C ATOM 491 CD GLN A 32 -5.513 -7.316 8.211 1.00 2.64 C ATOM 492 OE1 GLN A 32 -5.060 -8.351 7.756 1.00 3.11 O ATOM 493 NE2 GLN A 32 -6.781 -7.244 8.488 1.00 3.92 N ATOM 0 H GLN A 32 -4.860 -3.403 6.903 1.00 0.81 H new ATOM 0 HA GLN A 32 -2.368 -4.515 8.166 1.00 0.87 H new ATOM 0 HB2 GLN A 32 -4.457 -5.782 6.337 1.00 1.22 H new ATOM 0 HB3 GLN A 32 -3.080 -6.604 7.041 1.00 1.22 H new ATOM 0 HG2 GLN A 32 -3.957 -6.283 9.314 1.00 1.47 H new ATOM 0 HG3 GLN A 32 -5.230 -5.229 8.730 1.00 1.47 H new ATOM 0 HE21 GLN A 32 -7.172 -6.382 8.869 1.00 3.92 H new ATOM 0 HE22 GLN A 32 -7.385 -8.049 8.324 1.00 3.92 H new ATOM 502 N TYR A 33 -1.198 -4.735 5.783 1.00 0.62 N ATOM 503 CA TYR A 33 -0.519 -4.484 4.483 1.00 0.55 C ATOM 504 C TYR A 33 0.539 -5.545 4.211 1.00 0.60 C ATOM 505 O TYR A 33 1.070 -6.146 5.129 1.00 0.65 O ATOM 506 CB TYR A 33 0.158 -3.104 4.483 1.00 0.50 C ATOM 507 CG TYR A 33 1.351 -3.104 5.447 1.00 0.50 C ATOM 508 CD1 TYR A 33 1.166 -2.884 6.794 1.00 0.70 C ATOM 509 CD2 TYR A 33 2.631 -3.354 4.980 1.00 0.81 C ATOM 510 CE1 TYR A 33 2.235 -2.918 7.660 1.00 1.05 C ATOM 511 CE2 TYR A 33 3.699 -3.389 5.852 1.00 1.12 C ATOM 512 CZ TYR A 33 3.504 -3.172 7.198 1.00 1.21 C ATOM 513 OH TYR A 33 4.557 -3.212 8.085 1.00 1.66 O ATOM 0 H TYR A 33 -0.701 -5.340 6.436 1.00 0.62 H new ATOM 0 HA TYR A 33 -1.280 -4.520 3.704 1.00 0.55 H new ATOM 0 HB2 TYR A 33 0.494 -2.855 3.476 1.00 0.50 H new ATOM 0 HB3 TYR A 33 -0.559 -2.338 4.779 1.00 0.50 H new ATOM 0 HD1 TYR A 33 0.175 -2.683 7.173 1.00 0.70 H new ATOM 0 HD2 TYR A 33 2.794 -3.523 3.926 1.00 0.81 H new ATOM 0 HE1 TYR A 33 2.075 -2.743 8.714 1.00 1.05 H new ATOM 0 HE2 TYR A 33 4.692 -3.587 5.478 1.00 1.12 H new ATOM 0 HH TYR A 33 5.386 -3.404 7.600 1.00 1.66 H new ATOM 523 N GLN A 34 0.807 -5.745 2.956 1.00 0.64 N ATOM 524 CA GLN A 34 1.853 -6.731 2.568 1.00 0.71 C ATOM 525 C GLN A 34 2.655 -6.197 1.381 1.00 0.67 C ATOM 526 O GLN A 34 2.082 -5.701 0.416 1.00 0.71 O ATOM 527 CB GLN A 34 1.197 -8.065 2.184 1.00 0.75 C ATOM 528 CG GLN A 34 2.292 -9.104 1.890 1.00 1.21 C ATOM 529 CD GLN A 34 1.643 -10.447 1.559 1.00 1.91 C ATOM 530 OE1 GLN A 34 1.057 -11.089 2.404 1.00 2.82 O ATOM 531 NE2 GLN A 34 1.712 -10.903 0.344 1.00 3.01 N ATOM 0 H GLN A 34 0.348 -5.269 2.179 1.00 0.64 H new ATOM 0 HA GLN A 34 2.522 -6.889 3.414 1.00 0.71 H new ATOM 0 HB2 GLN A 34 0.556 -8.414 2.993 1.00 0.75 H new ATOM 0 HB3 GLN A 34 0.561 -7.932 1.309 1.00 0.75 H new ATOM 0 HG2 GLN A 34 2.910 -8.771 1.056 1.00 1.21 H new ATOM 0 HG3 GLN A 34 2.950 -9.209 2.753 1.00 1.21 H new ATOM 0 HE21 GLN A 34 2.203 -10.370 -0.374 1.00 3.01 H new ATOM 0 HE22 GLN A 34 1.275 -11.794 0.108 1.00 3.01 H new ATOM 540 N TYR A 35 3.959 -6.294 1.462 1.00 0.82 N ATOM 541 CA TYR A 35 4.765 -5.817 0.309 1.00 0.78 C ATOM 542 C TYR A 35 4.863 -7.015 -0.619 1.00 0.64 C ATOM 543 O TYR A 35 5.041 -8.135 -0.170 1.00 0.71 O ATOM 544 CB TYR A 35 6.173 -5.369 0.745 1.00 0.95 C ATOM 545 CG TYR A 35 6.995 -4.963 -0.499 1.00 0.91 C ATOM 546 CD1 TYR A 35 6.613 -3.891 -1.290 1.00 1.38 C ATOM 547 CD2 TYR A 35 8.106 -5.695 -0.873 1.00 1.05 C ATOM 548 CE1 TYR A 35 7.321 -3.567 -2.435 1.00 1.56 C ATOM 549 CE2 TYR A 35 8.810 -5.372 -2.017 1.00 1.13 C ATOM 550 CZ TYR A 35 8.420 -4.308 -2.813 1.00 1.24 C ATOM 551 OH TYR A 35 9.086 -4.060 -3.998 1.00 1.58 O ATOM 0 H TYR A 35 4.483 -6.671 2.252 1.00 0.82 H new ATOM 0 HA TYR A 35 4.304 -4.950 -0.165 1.00 0.78 H new ATOM 0 HB2 TYR A 35 6.101 -4.529 1.436 1.00 0.95 H new ATOM 0 HB3 TYR A 35 6.675 -6.177 1.277 1.00 0.95 H new ATOM 0 HD1 TYR A 35 5.753 -3.301 -1.010 1.00 1.38 H new ATOM 0 HD2 TYR A 35 8.427 -6.528 -0.265 1.00 1.05 H new ATOM 0 HE1 TYR A 35 7.009 -2.726 -3.037 1.00 1.56 H new ATOM 0 HE2 TYR A 35 9.675 -5.956 -2.294 1.00 1.13 H new ATOM 0 HH TYR A 35 9.288 -4.909 -4.443 1.00 1.58 H new ATOM 561 N VAL A 36 4.689 -6.762 -1.876 1.00 0.52 N ATOM 562 CA VAL A 36 4.743 -7.843 -2.888 1.00 0.43 C ATOM 563 C VAL A 36 5.751 -7.430 -3.963 1.00 0.47 C ATOM 564 O VAL A 36 5.864 -6.256 -4.269 1.00 0.59 O ATOM 565 CB VAL A 36 3.304 -7.996 -3.427 1.00 0.40 C ATOM 566 CG1 VAL A 36 3.297 -8.367 -4.911 1.00 0.42 C ATOM 567 CG2 VAL A 36 2.595 -9.103 -2.632 1.00 0.51 C ATOM 0 H VAL A 36 4.508 -5.832 -2.255 1.00 0.52 H new ATOM 0 HA VAL A 36 5.074 -8.804 -2.495 1.00 0.43 H new ATOM 0 HB VAL A 36 2.790 -7.042 -3.313 1.00 0.40 H new ATOM 0 HG11 VAL A 36 2.268 -8.466 -5.256 1.00 0.42 H new ATOM 0 HG12 VAL A 36 3.798 -7.586 -5.484 1.00 0.42 H new ATOM 0 HG13 VAL A 36 3.820 -9.313 -5.052 1.00 0.42 H new ATOM 0 HG21 VAL A 36 1.577 -9.222 -3.002 1.00 0.51 H new ATOM 0 HG22 VAL A 36 3.137 -10.041 -2.752 1.00 0.51 H new ATOM 0 HG23 VAL A 36 2.568 -8.832 -1.576 1.00 0.51 H new ATOM 577 N ASP A 37 6.430 -8.390 -4.532 1.00 0.48 N ATOM 578 CA ASP A 37 7.449 -8.068 -5.574 1.00 0.61 C ATOM 579 C ASP A 37 7.125 -8.785 -6.887 1.00 0.66 C ATOM 580 O ASP A 37 6.851 -9.976 -6.903 1.00 0.98 O ATOM 581 CB ASP A 37 8.814 -8.528 -5.076 1.00 0.67 C ATOM 582 CG ASP A 37 9.846 -7.606 -5.674 1.00 1.05 C ATOM 583 OD1 ASP A 37 10.077 -6.593 -5.038 1.00 2.27 O ATOM 584 OD2 ASP A 37 10.321 -7.954 -6.747 1.00 1.54 O ATOM 0 H ASP A 37 6.324 -9.382 -4.321 1.00 0.48 H new ATOM 0 HA ASP A 37 7.448 -6.993 -5.756 1.00 0.61 H new ATOM 0 HB2 ASP A 37 8.856 -8.496 -3.987 1.00 0.67 H new ATOM 0 HB3 ASP A 37 9.003 -9.560 -5.373 1.00 0.67 H new ATOM 589 N ILE A 38 7.228 -8.084 -7.982 1.00 0.82 N ATOM 590 CA ILE A 38 6.904 -8.744 -9.286 1.00 0.93 C ATOM 591 C ILE A 38 7.780 -9.988 -9.501 1.00 0.98 C ATOM 592 O ILE A 38 7.395 -10.905 -10.201 1.00 1.15 O ATOM 593 CB ILE A 38 7.095 -7.753 -10.451 1.00 1.24 C ATOM 594 CG1 ILE A 38 8.584 -7.485 -10.687 1.00 1.75 C ATOM 595 CG2 ILE A 38 6.384 -6.436 -10.116 1.00 1.31 C ATOM 596 CD1 ILE A 38 8.757 -6.726 -12.009 1.00 1.94 C ATOM 0 H ILE A 38 7.515 -7.107 -8.036 1.00 0.82 H new ATOM 0 HA ILE A 38 5.861 -9.058 -9.258 1.00 0.93 H new ATOM 0 HB ILE A 38 6.670 -8.185 -11.357 1.00 1.24 H new ATOM 0 HG12 ILE A 38 8.996 -6.903 -9.863 1.00 1.75 H new ATOM 0 HG13 ILE A 38 9.134 -8.425 -10.719 1.00 1.75 H new ATOM 0 HG21 ILE A 38 6.516 -5.732 -10.937 1.00 1.31 H new ATOM 0 HG22 ILE A 38 5.321 -6.624 -9.967 1.00 1.31 H new ATOM 0 HG23 ILE A 38 6.809 -6.015 -9.205 1.00 1.31 H new ATOM 0 HD11 ILE A 38 9.816 -6.533 -12.182 1.00 1.94 H new ATOM 0 HD12 ILE A 38 8.359 -7.326 -12.828 1.00 1.94 H new ATOM 0 HD13 ILE A 38 8.219 -5.779 -11.958 1.00 1.94 H new ATOM 608 N ARG A 39 8.922 -10.002 -8.848 1.00 0.98 N ATOM 609 CA ARG A 39 9.883 -11.148 -8.996 1.00 1.20 C ATOM 610 C ARG A 39 9.616 -12.282 -7.983 1.00 1.18 C ATOM 611 O ARG A 39 10.251 -13.323 -8.021 1.00 1.61 O ATOM 612 CB ARG A 39 11.303 -10.533 -8.866 1.00 1.24 C ATOM 613 CG ARG A 39 12.224 -11.228 -7.833 1.00 2.77 C ATOM 614 CD ARG A 39 11.735 -11.006 -6.388 1.00 3.98 C ATOM 615 NE ARG A 39 12.924 -10.667 -5.529 1.00 4.22 N ATOM 616 CZ ARG A 39 12.911 -9.608 -4.767 1.00 4.85 C ATOM 617 NH1 ARG A 39 12.404 -8.514 -5.228 1.00 5.19 N ATOM 618 NH2 ARG A 39 13.390 -9.697 -3.557 1.00 5.86 N ATOM 0 H ARG A 39 9.231 -9.264 -8.215 1.00 0.98 H new ATOM 0 HA ARG A 39 9.765 -11.637 -9.963 1.00 1.20 H new ATOM 0 HB2 ARG A 39 11.787 -10.565 -9.842 1.00 1.24 H new ATOM 0 HB3 ARG A 39 11.204 -9.482 -8.594 1.00 1.24 H new ATOM 0 HG2 ARG A 39 12.264 -12.297 -8.043 1.00 2.77 H new ATOM 0 HG3 ARG A 39 13.239 -10.845 -7.936 1.00 2.77 H new ATOM 0 HD2 ARG A 39 11.002 -10.200 -6.356 1.00 3.98 H new ATOM 0 HD3 ARG A 39 11.240 -11.902 -6.014 1.00 3.98 H new ATOM 0 HE ARG A 39 13.746 -11.270 -5.543 1.00 4.22 H new ATOM 0 HH11 ARG A 39 12.022 -8.488 -6.173 1.00 5.19 H new ATOM 0 HH12 ARG A 39 12.385 -7.676 -4.647 1.00 5.19 H new ATOM 0 HH21 ARG A 39 13.766 -10.584 -3.221 1.00 5.86 H new ATOM 0 HH22 ARG A 39 13.388 -8.880 -2.947 1.00 5.86 H new ATOM 632 N ALA A 40 8.673 -12.064 -7.120 1.00 1.07 N ATOM 633 CA ALA A 40 8.318 -13.096 -6.100 1.00 1.20 C ATOM 634 C ALA A 40 7.095 -13.853 -6.609 1.00 1.21 C ATOM 635 O ALA A 40 7.003 -15.065 -6.499 1.00 1.44 O ATOM 636 CB ALA A 40 7.969 -12.398 -4.784 1.00 1.22 C ATOM 0 H ALA A 40 8.123 -11.207 -7.072 1.00 1.07 H new ATOM 0 HA ALA A 40 9.150 -13.780 -5.936 1.00 1.20 H new ATOM 0 HB1 ALA A 40 7.709 -13.145 -4.034 1.00 1.22 H new ATOM 0 HB2 ALA A 40 8.827 -11.821 -4.439 1.00 1.22 H new ATOM 0 HB3 ALA A 40 7.122 -11.730 -4.940 1.00 1.22 H new ATOM 642 N GLU A 41 6.187 -13.094 -7.154 1.00 1.03 N ATOM 643 CA GLU A 41 4.945 -13.705 -7.700 1.00 1.13 C ATOM 644 C GLU A 41 5.225 -14.213 -9.118 1.00 1.20 C ATOM 645 O GLU A 41 4.740 -15.254 -9.516 1.00 1.45 O ATOM 646 CB GLU A 41 3.822 -12.651 -7.752 1.00 1.10 C ATOM 647 CG GLU A 41 3.934 -11.657 -6.577 1.00 1.44 C ATOM 648 CD GLU A 41 4.005 -12.363 -5.215 1.00 1.71 C ATOM 649 OE1 GLU A 41 3.540 -13.489 -5.138 1.00 2.70 O ATOM 650 OE2 GLU A 41 4.492 -11.697 -4.311 1.00 2.83 O ATOM 0 H GLU A 41 6.251 -12.080 -7.245 1.00 1.03 H new ATOM 0 HA GLU A 41 4.633 -14.530 -7.060 1.00 1.13 H new ATOM 0 HB2 GLU A 41 3.872 -12.109 -8.696 1.00 1.10 H new ATOM 0 HB3 GLU A 41 2.852 -13.147 -7.721 1.00 1.10 H new ATOM 0 HG2 GLU A 41 4.823 -11.041 -6.710 1.00 1.44 H new ATOM 0 HG3 GLU A 41 3.076 -10.985 -6.590 1.00 1.44 H new ATOM 657 N GLY A 42 5.985 -13.443 -9.857 1.00 1.14 N ATOM 658 CA GLY A 42 6.319 -13.844 -11.259 1.00 1.30 C ATOM 659 C GLY A 42 5.465 -13.022 -12.211 1.00 1.32 C ATOM 660 O GLY A 42 4.866 -13.547 -13.128 1.00 1.49 O ATOM 0 H GLY A 42 6.387 -12.557 -9.551 1.00 1.14 H new ATOM 0 HA2 GLY A 42 7.377 -13.677 -11.459 1.00 1.30 H new ATOM 0 HA3 GLY A 42 6.131 -14.908 -11.404 1.00 1.30 H new ATOM 664 N ILE A 43 5.467 -11.740 -11.990 1.00 1.23 N ATOM 665 CA ILE A 43 4.643 -10.832 -12.834 1.00 1.32 C ATOM 666 C ILE A 43 5.528 -9.926 -13.694 1.00 1.37 C ATOM 667 O ILE A 43 6.664 -9.638 -13.351 1.00 1.37 O ATOM 668 CB ILE A 43 3.770 -9.992 -11.885 1.00 1.27 C ATOM 669 CG1 ILE A 43 2.844 -10.928 -11.088 1.00 1.41 C ATOM 670 CG2 ILE A 43 2.914 -9.013 -12.697 1.00 1.40 C ATOM 671 CD1 ILE A 43 2.267 -10.182 -9.880 1.00 1.41 C ATOM 0 H ILE A 43 6.006 -11.278 -11.258 1.00 1.23 H new ATOM 0 HA ILE A 43 4.023 -11.412 -13.517 1.00 1.32 H new ATOM 0 HB ILE A 43 4.412 -9.434 -11.204 1.00 1.27 H new ATOM 0 HG12 ILE A 43 2.036 -11.285 -11.726 1.00 1.41 H new ATOM 0 HG13 ILE A 43 3.398 -11.805 -10.754 1.00 1.41 H new ATOM 0 HG21 ILE A 43 2.298 -8.421 -12.020 1.00 1.40 H new ATOM 0 HG22 ILE A 43 3.563 -8.351 -13.270 1.00 1.40 H new ATOM 0 HG23 ILE A 43 2.272 -9.570 -13.379 1.00 1.40 H new ATOM 0 HD11 ILE A 43 1.612 -10.849 -9.319 1.00 1.41 H new ATOM 0 HD12 ILE A 43 3.081 -9.847 -9.237 1.00 1.41 H new ATOM 0 HD13 ILE A 43 1.697 -9.319 -10.224 1.00 1.41 H new ATOM 683 N THR A 44 4.963 -9.450 -14.765 1.00 1.50 N ATOM 684 CA THR A 44 5.722 -8.559 -15.683 1.00 1.65 C ATOM 685 C THR A 44 5.132 -7.156 -15.584 1.00 1.77 C ATOM 686 O THR A 44 4.192 -6.939 -14.844 1.00 2.17 O ATOM 687 CB THR A 44 5.561 -9.107 -17.104 1.00 1.77 C ATOM 688 OG1 THR A 44 4.174 -9.383 -17.230 1.00 1.83 O ATOM 689 CG2 THR A 44 6.242 -10.467 -17.256 1.00 1.93 C ATOM 0 H THR A 44 4.001 -9.641 -15.046 1.00 1.50 H new ATOM 0 HA THR A 44 6.780 -8.520 -15.424 1.00 1.65 H new ATOM 0 HB THR A 44 5.976 -8.401 -17.823 1.00 1.77 H new ATOM 0 HG1 THR A 44 3.932 -9.418 -18.179 1.00 1.83 H new ATOM 0 HG21 THR A 44 6.109 -10.828 -18.276 1.00 1.93 H new ATOM 0 HG22 THR A 44 7.306 -10.367 -17.042 1.00 1.93 H new ATOM 0 HG23 THR A 44 5.797 -11.177 -16.559 1.00 1.93 H new ATOM 697 N LYS A 45 5.651 -6.217 -16.331 1.00 1.98 N ATOM 698 CA LYS A 45 5.065 -4.834 -16.261 1.00 2.12 C ATOM 699 C LYS A 45 3.889 -4.809 -17.249 1.00 2.30 C ATOM 700 O LYS A 45 3.748 -3.924 -18.071 1.00 3.26 O ATOM 701 CB LYS A 45 6.121 -3.794 -16.669 1.00 2.54 C ATOM 702 CG LYS A 45 5.973 -2.467 -15.872 1.00 3.21 C ATOM 703 CD LYS A 45 4.509 -1.975 -15.855 1.00 3.71 C ATOM 704 CE LYS A 45 4.449 -0.473 -15.508 1.00 4.90 C ATOM 705 NZ LYS A 45 3.040 -0.018 -15.293 1.00 5.46 N ATOM 0 H LYS A 45 6.435 -6.336 -16.973 1.00 1.98 H new ATOM 0 HA LYS A 45 4.736 -4.594 -15.250 1.00 2.12 H new ATOM 0 HB2 LYS A 45 7.117 -4.206 -16.505 1.00 2.54 H new ATOM 0 HB3 LYS A 45 6.033 -3.588 -17.736 1.00 2.54 H new ATOM 0 HG2 LYS A 45 6.320 -2.615 -14.849 1.00 3.21 H new ATOM 0 HG3 LYS A 45 6.610 -1.702 -16.316 1.00 3.21 H new ATOM 0 HD2 LYS A 45 4.049 -2.148 -16.828 1.00 3.71 H new ATOM 0 HD3 LYS A 45 3.935 -2.546 -15.125 1.00 3.71 H new ATOM 0 HE2 LYS A 45 5.036 -0.282 -14.609 1.00 4.90 H new ATOM 0 HE3 LYS A 45 4.901 0.106 -16.313 1.00 4.90 H new ATOM 0 HZ1 LYS A 45 2.746 0.589 -16.085 1.00 5.46 H new ATOM 0 HZ2 LYS A 45 2.412 -0.845 -15.239 1.00 5.46 H new ATOM 0 HZ3 LYS A 45 2.981 0.520 -14.405 1.00 5.46 H new ATOM 719 N GLU A 46 3.104 -5.838 -17.148 1.00 2.13 N ATOM 720 CA GLU A 46 1.892 -5.997 -18.010 1.00 2.21 C ATOM 721 C GLU A 46 0.682 -6.121 -17.076 1.00 2.00 C ATOM 722 O GLU A 46 -0.219 -5.293 -17.075 1.00 2.12 O ATOM 723 CB GLU A 46 2.058 -7.268 -18.864 1.00 2.47 C ATOM 724 CG GLU A 46 3.274 -7.109 -19.796 1.00 2.66 C ATOM 725 CD GLU A 46 3.475 -8.387 -20.622 1.00 3.11 C ATOM 726 OE1 GLU A 46 3.767 -9.383 -19.985 1.00 4.07 O ATOM 727 OE2 GLU A 46 3.332 -8.296 -21.828 1.00 3.76 O ATOM 0 H GLU A 46 3.251 -6.601 -16.487 1.00 2.13 H new ATOM 0 HA GLU A 46 1.755 -5.148 -18.680 1.00 2.21 H new ATOM 0 HB2 GLU A 46 2.192 -8.137 -18.219 1.00 2.47 H new ATOM 0 HB3 GLU A 46 1.157 -7.444 -19.452 1.00 2.47 H new ATOM 0 HG2 GLU A 46 3.125 -6.257 -20.460 1.00 2.66 H new ATOM 0 HG3 GLU A 46 4.168 -6.902 -19.208 1.00 2.66 H new ATOM 734 N ASP A 47 0.711 -7.157 -16.270 1.00 1.82 N ATOM 735 CA ASP A 47 -0.393 -7.381 -15.282 1.00 1.80 C ATOM 736 C ASP A 47 -0.649 -6.096 -14.504 1.00 1.73 C ATOM 737 O ASP A 47 -1.768 -5.672 -14.341 1.00 1.89 O ATOM 738 CB ASP A 47 0.022 -8.458 -14.274 1.00 1.81 C ATOM 739 CG ASP A 47 -1.002 -8.525 -13.121 1.00 2.91 C ATOM 740 OD1 ASP A 47 -2.072 -9.072 -13.352 1.00 3.56 O ATOM 741 OD2 ASP A 47 -0.657 -7.993 -12.074 1.00 3.82 O ATOM 0 H ASP A 47 1.452 -7.857 -16.254 1.00 1.82 H new ATOM 0 HA ASP A 47 -1.287 -7.690 -15.824 1.00 1.80 H new ATOM 0 HB2 ASP A 47 0.087 -9.426 -14.770 1.00 1.81 H new ATOM 0 HB3 ASP A 47 1.013 -8.235 -13.879 1.00 1.81 H new ATOM 746 N LEU A 48 0.413 -5.492 -14.063 1.00 1.58 N ATOM 747 CA LEU A 48 0.269 -4.246 -13.261 1.00 1.67 C ATOM 748 C LEU A 48 -0.599 -3.163 -13.943 1.00 1.89 C ATOM 749 O LEU A 48 -0.792 -2.102 -13.374 1.00 2.76 O ATOM 750 CB LEU A 48 1.684 -3.732 -12.939 1.00 1.65 C ATOM 751 CG LEU A 48 2.408 -4.756 -12.030 1.00 1.49 C ATOM 752 CD1 LEU A 48 3.887 -4.377 -11.874 1.00 1.62 C ATOM 753 CD2 LEU A 48 1.769 -4.783 -10.633 1.00 1.59 C ATOM 0 H LEU A 48 1.372 -5.803 -14.221 1.00 1.58 H new ATOM 0 HA LEU A 48 -0.272 -4.481 -12.344 1.00 1.67 H new ATOM 0 HB2 LEU A 48 2.248 -3.584 -13.860 1.00 1.65 H new ATOM 0 HB3 LEU A 48 1.627 -2.764 -12.441 1.00 1.65 H new ATOM 0 HG LEU A 48 2.319 -5.737 -12.497 1.00 1.49 H new ATOM 0 HD11 LEU A 48 4.384 -5.105 -11.233 1.00 1.62 H new ATOM 0 HD12 LEU A 48 4.366 -4.370 -12.853 1.00 1.62 H new ATOM 0 HD13 LEU A 48 3.963 -3.387 -11.425 1.00 1.62 H new ATOM 0 HD21 LEU A 48 2.291 -5.508 -10.008 1.00 1.59 H new ATOM 0 HD22 LEU A 48 1.843 -3.794 -10.180 1.00 1.59 H new ATOM 0 HD23 LEU A 48 0.720 -5.066 -10.718 1.00 1.59 H new ATOM 765 N GLN A 49 -1.031 -3.402 -15.160 1.00 1.52 N ATOM 766 CA GLN A 49 -1.932 -2.418 -15.840 1.00 1.70 C ATOM 767 C GLN A 49 -3.323 -3.043 -15.897 1.00 1.68 C ATOM 768 O GLN A 49 -4.292 -2.463 -15.450 1.00 1.68 O ATOM 769 CB GLN A 49 -1.495 -2.119 -17.283 1.00 2.00 C ATOM 770 CG GLN A 49 -0.288 -1.180 -17.306 1.00 2.56 C ATOM 771 CD GLN A 49 0.991 -1.994 -17.290 1.00 4.09 C ATOM 772 OE1 GLN A 49 1.688 -2.061 -16.296 1.00 5.42 O ATOM 773 NE2 GLN A 49 1.332 -2.626 -18.368 1.00 4.81 N ATOM 0 H GLN A 49 -0.800 -4.231 -15.708 1.00 1.52 H new ATOM 0 HA GLN A 49 -1.905 -1.483 -15.280 1.00 1.70 H new ATOM 0 HB2 GLN A 49 -1.246 -3.050 -17.792 1.00 2.00 H new ATOM 0 HB3 GLN A 49 -2.322 -1.668 -17.831 1.00 2.00 H new ATOM 0 HG2 GLN A 49 -0.320 -0.552 -18.196 1.00 2.56 H new ATOM 0 HG3 GLN A 49 -0.317 -0.513 -16.444 1.00 2.56 H new ATOM 0 HE21 GLN A 49 0.745 -2.568 -19.200 1.00 4.81 H new ATOM 0 HE22 GLN A 49 2.187 -3.182 -18.384 1.00 4.81 H new ATOM 782 N GLN A 50 -3.377 -4.233 -16.425 1.00 1.74 N ATOM 783 CA GLN A 50 -4.692 -4.945 -16.541 1.00 1.85 C ATOM 784 C GLN A 50 -5.317 -5.156 -15.162 1.00 1.64 C ATOM 785 O GLN A 50 -6.521 -5.112 -14.985 1.00 1.71 O ATOM 786 CB GLN A 50 -4.465 -6.306 -17.207 1.00 2.09 C ATOM 787 CG GLN A 50 -3.870 -6.102 -18.608 1.00 3.48 C ATOM 788 CD GLN A 50 -4.768 -5.162 -19.413 1.00 4.73 C ATOM 789 OE1 GLN A 50 -5.823 -5.531 -19.865 1.00 5.11 O ATOM 790 NE2 GLN A 50 -4.403 -3.931 -19.587 1.00 6.18 N ATOM 0 H GLN A 50 -2.572 -4.748 -16.782 1.00 1.74 H new ATOM 0 HA GLN A 50 -5.370 -4.338 -17.141 1.00 1.85 H new ATOM 0 HB2 GLN A 50 -3.792 -6.911 -16.600 1.00 2.09 H new ATOM 0 HB3 GLN A 50 -5.407 -6.850 -17.277 1.00 2.09 H new ATOM 0 HG2 GLN A 50 -2.866 -5.685 -18.531 1.00 3.48 H new ATOM 0 HG3 GLN A 50 -3.779 -7.061 -19.119 1.00 3.48 H new ATOM 0 HE21 GLN A 50 -3.513 -3.605 -19.210 1.00 6.18 H new ATOM 0 HE22 GLN A 50 -5.006 -3.288 -20.101 1.00 6.18 H new ATOM 799 N LYS A 51 -4.460 -5.347 -14.210 1.00 1.48 N ATOM 800 CA LYS A 51 -4.903 -5.573 -12.812 1.00 1.43 C ATOM 801 C LYS A 51 -4.958 -4.237 -12.077 1.00 1.30 C ATOM 802 O LYS A 51 -5.038 -4.218 -10.861 1.00 1.72 O ATOM 803 CB LYS A 51 -3.852 -6.452 -12.141 1.00 1.60 C ATOM 804 CG LYS A 51 -4.498 -7.642 -11.417 1.00 2.09 C ATOM 805 CD LYS A 51 -3.523 -8.162 -10.346 1.00 2.07 C ATOM 806 CE LYS A 51 -3.164 -7.019 -9.397 1.00 2.82 C ATOM 807 NZ LYS A 51 -4.403 -6.263 -9.048 1.00 3.84 N ATOM 0 H LYS A 51 -3.449 -5.357 -14.342 1.00 1.48 H new ATOM 0 HA LYS A 51 -5.887 -6.040 -12.791 1.00 1.43 H new ATOM 0 HB2 LYS A 51 -3.149 -6.817 -12.890 1.00 1.60 H new ATOM 0 HB3 LYS A 51 -3.279 -5.858 -11.429 1.00 1.60 H new ATOM 0 HG2 LYS A 51 -5.438 -7.338 -10.956 1.00 2.09 H new ATOM 0 HG3 LYS A 51 -4.734 -8.433 -12.128 1.00 2.09 H new ATOM 0 HD2 LYS A 51 -3.977 -8.983 -9.791 1.00 2.07 H new ATOM 0 HD3 LYS A 51 -2.623 -8.556 -10.817 1.00 2.07 H new ATOM 0 HE2 LYS A 51 -2.698 -7.413 -8.494 1.00 2.82 H new ATOM 0 HE3 LYS A 51 -2.439 -6.355 -9.867 1.00 2.82 H new ATOM 0 HZ1 LYS A 51 -4.219 -5.658 -8.223 1.00 3.84 H new ATOM 0 HZ2 LYS A 51 -4.688 -5.672 -9.855 1.00 3.84 H new ATOM 0 HZ3 LYS A 51 -5.166 -6.932 -8.823 1.00 3.84 H new ATOM 821 N ALA A 52 -4.913 -3.169 -12.829 1.00 1.19 N ATOM 822 CA ALA A 52 -4.934 -1.804 -12.226 1.00 1.19 C ATOM 823 C ALA A 52 -6.093 -0.955 -12.766 1.00 1.33 C ATOM 824 O ALA A 52 -6.917 -0.472 -12.000 1.00 1.56 O ATOM 825 CB ALA A 52 -3.600 -1.136 -12.563 1.00 1.29 C ATOM 0 H ALA A 52 -4.862 -3.185 -13.848 1.00 1.19 H new ATOM 0 HA ALA A 52 -5.079 -1.887 -11.149 1.00 1.19 H new ATOM 0 HB1 ALA A 52 -3.578 -0.133 -12.138 1.00 1.29 H new ATOM 0 HB2 ALA A 52 -2.783 -1.725 -12.147 1.00 1.29 H new ATOM 0 HB3 ALA A 52 -3.487 -1.074 -13.645 1.00 1.29 H new ATOM 831 N GLY A 53 -6.095 -0.751 -14.064 1.00 1.53 N ATOM 832 CA GLY A 53 -7.188 0.059 -14.699 1.00 1.86 C ATOM 833 C GLY A 53 -6.757 1.503 -15.010 1.00 2.13 C ATOM 834 O GLY A 53 -7.369 2.158 -15.823 1.00 2.47 O ATOM 0 H GLY A 53 -5.390 -1.108 -14.709 1.00 1.53 H new ATOM 0 HA2 GLY A 53 -7.505 -0.427 -15.622 1.00 1.86 H new ATOM 0 HA3 GLY A 53 -8.052 0.078 -14.035 1.00 1.86 H new ATOM 838 N LYS A 54 -5.727 1.967 -14.355 1.00 2.30 N ATOM 839 CA LYS A 54 -5.252 3.380 -14.568 1.00 2.68 C ATOM 840 C LYS A 54 -3.729 3.447 -14.810 1.00 2.94 C ATOM 841 O LYS A 54 -2.988 2.588 -14.368 1.00 3.35 O ATOM 842 CB LYS A 54 -5.644 4.154 -13.300 1.00 3.48 C ATOM 843 CG LYS A 54 -5.143 3.371 -12.075 1.00 3.79 C ATOM 844 CD LYS A 54 -4.196 4.224 -11.240 1.00 4.57 C ATOM 845 CE LYS A 54 -4.998 5.162 -10.350 1.00 5.22 C ATOM 846 NZ LYS A 54 -4.051 5.946 -9.533 1.00 5.98 N ATOM 0 H LYS A 54 -5.186 1.431 -13.676 1.00 2.30 H new ATOM 0 HA LYS A 54 -5.710 3.810 -15.459 1.00 2.68 H new ATOM 0 HB2 LYS A 54 -5.207 5.153 -13.316 1.00 3.48 H new ATOM 0 HB3 LYS A 54 -6.726 4.280 -13.252 1.00 3.48 H new ATOM 0 HG2 LYS A 54 -5.991 3.058 -11.466 1.00 3.79 H new ATOM 0 HG3 LYS A 54 -4.632 2.465 -12.401 1.00 3.79 H new ATOM 0 HD2 LYS A 54 -3.558 3.585 -10.629 1.00 4.57 H new ATOM 0 HD3 LYS A 54 -3.539 4.799 -11.892 1.00 4.57 H new ATOM 0 HE2 LYS A 54 -5.616 5.825 -10.956 1.00 5.22 H new ATOM 0 HE3 LYS A 54 -5.673 4.594 -9.709 1.00 5.22 H new ATOM 0 HZ1 LYS A 54 -4.578 6.619 -8.941 1.00 5.98 H new ATOM 0 HZ2 LYS A 54 -3.503 5.304 -8.925 1.00 5.98 H new ATOM 0 HZ3 LYS A 54 -3.403 6.468 -10.157 1.00 5.98 H new ATOM 860 N PRO A 55 -3.296 4.566 -15.367 1.00 3.49 N ATOM 861 CA PRO A 55 -2.508 4.651 -16.625 1.00 3.43 C ATOM 862 C PRO A 55 -1.913 3.332 -17.160 1.00 2.48 C ATOM 863 O PRO A 55 -2.513 2.271 -17.065 1.00 3.34 O ATOM 864 CB PRO A 55 -1.449 5.707 -16.276 1.00 5.03 C ATOM 865 CG PRO A 55 -2.070 6.590 -15.160 1.00 6.11 C ATOM 866 CD PRO A 55 -3.351 5.875 -14.684 1.00 4.95 C ATOM 0 HA PRO A 55 -3.143 4.913 -17.471 1.00 3.43 H new ATOM 0 HB2 PRO A 55 -0.528 5.236 -15.933 1.00 5.03 H new ATOM 0 HB3 PRO A 55 -1.194 6.306 -17.150 1.00 5.03 H new ATOM 0 HG2 PRO A 55 -1.370 6.718 -14.335 1.00 6.11 H new ATOM 0 HG3 PRO A 55 -2.301 7.585 -15.539 1.00 6.11 H new ATOM 0 HD2 PRO A 55 -3.367 5.761 -13.600 1.00 4.95 H new ATOM 0 HD3 PRO A 55 -4.246 6.433 -14.959 1.00 4.95 H new ATOM 874 N VAL A 56 -0.765 3.466 -17.779 1.00 2.52 N ATOM 875 CA VAL A 56 -0.075 2.283 -18.378 1.00 3.21 C ATOM 876 C VAL A 56 1.354 2.150 -17.835 1.00 3.15 C ATOM 877 O VAL A 56 1.733 1.111 -17.334 1.00 4.05 O ATOM 878 CB VAL A 56 -0.055 2.444 -19.904 1.00 4.82 C ATOM 879 CG1 VAL A 56 0.565 1.202 -20.567 1.00 6.23 C ATOM 880 CG2 VAL A 56 -1.490 2.631 -20.425 1.00 5.57 C ATOM 0 H VAL A 56 -0.273 4.352 -17.895 1.00 2.52 H new ATOM 0 HA VAL A 56 -0.616 1.376 -18.109 1.00 3.21 H new ATOM 0 HB VAL A 56 0.546 3.319 -20.153 1.00 4.82 H new ATOM 0 HG11 VAL A 56 0.572 1.332 -21.649 1.00 6.23 H new ATOM 0 HG12 VAL A 56 1.587 1.071 -20.211 1.00 6.23 H new ATOM 0 HG13 VAL A 56 -0.024 0.321 -20.311 1.00 6.23 H new ATOM 0 HG21 VAL A 56 -1.472 2.745 -21.509 1.00 5.57 H new ATOM 0 HG22 VAL A 56 -2.089 1.759 -20.162 1.00 5.57 H new ATOM 0 HG23 VAL A 56 -1.928 3.522 -19.974 1.00 5.57 H new ATOM 890 N GLU A 57 2.102 3.209 -17.893 1.00 2.96 N ATOM 891 CA GLU A 57 3.516 3.163 -17.403 1.00 3.47 C ATOM 892 C GLU A 57 3.616 3.278 -15.871 1.00 2.47 C ATOM 893 O GLU A 57 4.451 2.622 -15.276 1.00 2.85 O ATOM 894 CB GLU A 57 4.334 4.299 -18.068 1.00 5.07 C ATOM 895 CG GLU A 57 3.429 5.445 -18.573 1.00 5.70 C ATOM 896 CD GLU A 57 2.627 6.049 -17.414 1.00 5.54 C ATOM 897 OE1 GLU A 57 3.233 6.784 -16.656 1.00 6.05 O ATOM 898 OE2 GLU A 57 1.459 5.681 -17.321 1.00 5.62 O ATOM 0 H GLU A 57 1.801 4.112 -18.259 1.00 2.96 H new ATOM 0 HA GLU A 57 3.924 2.191 -17.680 1.00 3.47 H new ATOM 0 HB2 GLU A 57 5.054 4.695 -17.352 1.00 5.07 H new ATOM 0 HB3 GLU A 57 4.905 3.893 -18.903 1.00 5.07 H new ATOM 0 HG2 GLU A 57 4.039 6.217 -19.042 1.00 5.70 H new ATOM 0 HG3 GLU A 57 2.748 5.069 -19.336 1.00 5.70 H new ATOM 905 N THR A 58 2.799 4.108 -15.284 1.00 2.67 N ATOM 906 CA THR A 58 2.816 4.313 -13.791 1.00 3.19 C ATOM 907 C THR A 58 3.218 3.079 -12.948 1.00 2.58 C ATOM 908 O THR A 58 2.888 1.937 -13.260 1.00 2.59 O ATOM 909 CB THR A 58 1.428 4.794 -13.341 1.00 4.77 C ATOM 910 OG1 THR A 58 1.529 4.888 -11.922 1.00 5.62 O ATOM 911 CG2 THR A 58 0.336 3.752 -13.618 1.00 6.08 C ATOM 0 H THR A 58 2.104 4.668 -15.778 1.00 2.67 H new ATOM 0 HA THR A 58 3.596 5.052 -13.609 1.00 3.19 H new ATOM 0 HB THR A 58 1.167 5.716 -13.860 1.00 4.77 H new ATOM 0 HG1 THR A 58 0.674 5.194 -11.553 1.00 5.62 H new ATOM 0 HG21 THR A 58 -0.627 4.137 -13.283 1.00 6.08 H new ATOM 0 HG22 THR A 58 0.293 3.546 -14.687 1.00 6.08 H new ATOM 0 HG23 THR A 58 0.566 2.832 -13.080 1.00 6.08 H new ATOM 919 N VAL A 59 3.921 3.367 -11.882 1.00 2.68 N ATOM 920 CA VAL A 59 4.382 2.321 -10.922 1.00 2.18 C ATOM 921 C VAL A 59 4.604 3.025 -9.563 1.00 2.03 C ATOM 922 O VAL A 59 4.756 4.228 -9.531 1.00 2.57 O ATOM 923 CB VAL A 59 5.675 1.667 -11.490 1.00 2.53 C ATOM 924 CG1 VAL A 59 6.839 1.698 -10.482 1.00 2.82 C ATOM 925 CG2 VAL A 59 5.381 0.201 -11.858 1.00 2.80 C ATOM 0 H VAL A 59 4.202 4.315 -11.631 1.00 2.68 H new ATOM 0 HA VAL A 59 3.657 1.519 -10.781 1.00 2.18 H new ATOM 0 HB VAL A 59 5.974 2.242 -12.367 1.00 2.53 H new ATOM 0 HG11 VAL A 59 7.717 1.230 -10.926 1.00 2.82 H new ATOM 0 HG12 VAL A 59 7.070 2.732 -10.224 1.00 2.82 H new ATOM 0 HG13 VAL A 59 6.555 1.154 -9.581 1.00 2.82 H new ATOM 0 HG21 VAL A 59 6.284 -0.262 -12.257 1.00 2.80 H new ATOM 0 HG22 VAL A 59 5.058 -0.340 -10.968 1.00 2.80 H new ATOM 0 HG23 VAL A 59 4.593 0.166 -12.610 1.00 2.80 H new ATOM 935 N PRO A 60 4.609 2.279 -8.481 1.00 1.60 N ATOM 936 CA PRO A 60 4.055 0.911 -8.420 1.00 1.41 C ATOM 937 C PRO A 60 2.534 0.971 -8.281 1.00 1.20 C ATOM 938 O PRO A 60 1.946 2.039 -8.184 1.00 1.31 O ATOM 939 CB PRO A 60 4.682 0.329 -7.158 1.00 1.56 C ATOM 940 CG PRO A 60 4.897 1.552 -6.247 1.00 1.78 C ATOM 941 CD PRO A 60 5.190 2.731 -7.195 1.00 1.69 C ATOM 0 HA PRO A 60 4.267 0.319 -9.310 1.00 1.41 H new ATOM 0 HB2 PRO A 60 4.027 -0.406 -6.690 1.00 1.56 H new ATOM 0 HB3 PRO A 60 5.623 -0.176 -7.377 1.00 1.56 H new ATOM 0 HG2 PRO A 60 4.013 1.748 -5.640 1.00 1.78 H new ATOM 0 HG3 PRO A 60 5.726 1.387 -5.559 1.00 1.78 H new ATOM 0 HD2 PRO A 60 4.727 3.654 -6.846 1.00 1.69 H new ATOM 0 HD3 PRO A 60 6.259 2.923 -7.281 1.00 1.69 H new ATOM 949 N GLN A 61 1.938 -0.179 -8.209 1.00 1.06 N ATOM 950 CA GLN A 61 0.465 -0.217 -8.065 1.00 0.95 C ATOM 951 C GLN A 61 0.135 -0.586 -6.625 1.00 0.71 C ATOM 952 O GLN A 61 0.615 -1.586 -6.110 1.00 0.81 O ATOM 953 CB GLN A 61 -0.134 -1.247 -9.026 1.00 1.10 C ATOM 954 CG GLN A 61 0.238 -0.870 -10.470 1.00 1.36 C ATOM 955 CD GLN A 61 -0.528 0.375 -10.943 1.00 1.95 C ATOM 956 OE1 GLN A 61 -0.550 1.418 -10.312 1.00 3.22 O ATOM 957 NE2 GLN A 61 -1.147 0.298 -12.078 1.00 2.81 N ATOM 0 H GLN A 61 2.402 -1.087 -8.243 1.00 1.06 H new ATOM 0 HA GLN A 61 0.041 0.758 -8.307 1.00 0.95 H new ATOM 0 HB2 GLN A 61 0.241 -2.243 -8.790 1.00 1.10 H new ATOM 0 HB3 GLN A 61 -1.218 -1.279 -8.914 1.00 1.10 H new ATOM 0 HG2 GLN A 61 1.310 -0.685 -10.534 1.00 1.36 H new ATOM 0 HG3 GLN A 61 0.019 -1.707 -11.133 1.00 1.36 H new ATOM 0 HE21 GLN A 61 -1.131 -0.572 -12.609 1.00 2.81 H new ATOM 0 HE22 GLN A 61 -1.650 1.108 -12.440 1.00 2.81 H new ATOM 966 N ILE A 62 -0.652 0.246 -6.007 1.00 0.51 N ATOM 967 CA ILE A 62 -1.052 0.001 -4.596 1.00 0.47 C ATOM 968 C ILE A 62 -2.500 -0.468 -4.624 1.00 0.49 C ATOM 969 O ILE A 62 -3.285 0.067 -5.385 1.00 0.53 O ATOM 970 CB ILE A 62 -0.985 1.322 -3.815 1.00 0.60 C ATOM 971 CG1 ILE A 62 0.345 2.055 -4.094 1.00 1.05 C ATOM 972 CG2 ILE A 62 -1.151 1.025 -2.316 1.00 0.77 C ATOM 973 CD1 ILE A 62 1.532 1.322 -3.469 1.00 1.31 C ATOM 0 H ILE A 62 -1.039 1.093 -6.423 1.00 0.51 H new ATOM 0 HA ILE A 62 -0.398 -0.733 -4.126 1.00 0.47 H new ATOM 0 HB ILE A 62 -1.791 1.979 -4.140 1.00 0.60 H new ATOM 0 HG12 ILE A 62 0.495 2.141 -5.170 1.00 1.05 H new ATOM 0 HG13 ILE A 62 0.293 3.069 -3.697 1.00 1.05 H new ATOM 0 HG21 ILE A 62 -1.105 1.957 -1.753 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -2.115 0.545 -2.145 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -0.352 0.362 -1.986 1.00 0.77 H new ATOM 0 HD11 ILE A 62 2.451 1.867 -3.686 1.00 1.31 H new ATOM 0 HD12 ILE A 62 1.393 1.259 -2.390 1.00 1.31 H new ATOM 0 HD13 ILE A 62 1.599 0.317 -3.885 1.00 1.31 H new ATOM 985 N PHE A 63 -2.814 -1.462 -3.852 1.00 0.48 N ATOM 986 CA PHE A 63 -4.219 -1.964 -3.813 1.00 0.54 C ATOM 987 C PHE A 63 -4.707 -1.869 -2.383 1.00 0.56 C ATOM 988 O PHE A 63 -4.073 -2.417 -1.510 1.00 0.59 O ATOM 989 CB PHE A 63 -4.270 -3.433 -4.243 1.00 0.69 C ATOM 990 CG PHE A 63 -4.001 -3.543 -5.741 1.00 0.72 C ATOM 991 CD1 PHE A 63 -2.706 -3.581 -6.214 1.00 0.95 C ATOM 992 CD2 PHE A 63 -5.051 -3.559 -6.640 1.00 0.76 C ATOM 993 CE1 PHE A 63 -2.463 -3.623 -7.571 1.00 1.11 C ATOM 994 CE2 PHE A 63 -4.809 -3.606 -7.993 1.00 0.90 C ATOM 995 CZ PHE A 63 -3.516 -3.633 -8.460 1.00 1.04 C ATOM 0 H PHE A 63 -2.161 -1.954 -3.242 1.00 0.48 H new ATOM 0 HA PHE A 63 -4.838 -1.372 -4.487 1.00 0.54 H new ATOM 0 HB2 PHE A 63 -3.530 -4.010 -3.688 1.00 0.69 H new ATOM 0 HB3 PHE A 63 -5.246 -3.857 -4.008 1.00 0.69 H new ATOM 0 HD1 PHE A 63 -1.879 -3.578 -5.519 1.00 0.95 H new ATOM 0 HD2 PHE A 63 -6.068 -3.534 -6.277 1.00 0.76 H new ATOM 0 HE1 PHE A 63 -1.447 -3.648 -7.937 1.00 1.11 H new ATOM 0 HE2 PHE A 63 -5.635 -3.622 -8.689 1.00 0.90 H new ATOM 0 HZ PHE A 63 -3.326 -3.662 -9.523 1.00 1.04 H new ATOM 1005 N VAL A 64 -5.794 -1.195 -2.159 1.00 0.61 N ATOM 1006 CA VAL A 64 -6.277 -1.112 -0.756 1.00 0.72 C ATOM 1007 C VAL A 64 -7.364 -2.146 -0.565 1.00 0.84 C ATOM 1008 O VAL A 64 -8.420 -2.049 -1.157 1.00 1.15 O ATOM 1009 CB VAL A 64 -6.818 0.291 -0.446 1.00 0.75 C ATOM 1010 CG1 VAL A 64 -7.639 0.234 0.849 1.00 0.86 C ATOM 1011 CG2 VAL A 64 -5.639 1.229 -0.192 1.00 0.82 C ATOM 0 H VAL A 64 -6.355 -0.711 -2.860 1.00 0.61 H new ATOM 0 HA VAL A 64 -5.450 -1.305 -0.073 1.00 0.72 H new ATOM 0 HB VAL A 64 -7.426 0.639 -1.281 1.00 0.75 H new ATOM 0 HG11 VAL A 64 -8.028 1.226 1.077 1.00 0.86 H new ATOM 0 HG12 VAL A 64 -8.469 -0.461 0.723 1.00 0.86 H new ATOM 0 HG13 VAL A 64 -7.004 -0.104 1.668 1.00 0.86 H new ATOM 0 HG21 VAL A 64 -6.011 2.229 0.029 1.00 0.82 H new ATOM 0 HG22 VAL A 64 -5.058 0.862 0.654 1.00 0.82 H new ATOM 0 HG23 VAL A 64 -5.006 1.265 -1.078 1.00 0.82 H new ATOM 1021 N ASP A 65 -7.051 -3.134 0.225 1.00 0.93 N ATOM 1022 CA ASP A 65 -8.018 -4.222 0.530 1.00 1.14 C ATOM 1023 C ASP A 65 -8.472 -4.948 -0.739 1.00 1.17 C ATOM 1024 O ASP A 65 -8.021 -6.046 -1.004 1.00 1.68 O ATOM 1025 CB ASP A 65 -9.220 -3.610 1.263 1.00 1.33 C ATOM 1026 CG ASP A 65 -9.960 -4.711 2.018 1.00 1.56 C ATOM 1027 OD1 ASP A 65 -9.428 -5.114 3.044 1.00 2.14 O ATOM 1028 OD2 ASP A 65 -11.003 -5.093 1.530 1.00 2.60 O ATOM 0 H ASP A 65 -6.145 -3.234 0.682 1.00 0.93 H new ATOM 0 HA ASP A 65 -7.531 -4.966 1.161 1.00 1.14 H new ATOM 0 HB2 ASP A 65 -8.884 -2.839 1.957 1.00 1.33 H new ATOM 0 HB3 ASP A 65 -9.889 -3.128 0.550 1.00 1.33 H new ATOM 1033 N GLN A 66 -9.354 -4.338 -1.488 1.00 1.23 N ATOM 1034 CA GLN A 66 -9.848 -4.983 -2.740 1.00 1.40 C ATOM 1035 C GLN A 66 -9.867 -4.024 -3.939 1.00 1.19 C ATOM 1036 O GLN A 66 -10.070 -4.473 -5.047 1.00 1.42 O ATOM 1037 CB GLN A 66 -11.273 -5.525 -2.510 1.00 1.85 C ATOM 1038 CG GLN A 66 -11.237 -6.771 -1.610 1.00 2.74 C ATOM 1039 CD GLN A 66 -10.568 -7.936 -2.350 1.00 3.73 C ATOM 1040 OE1 GLN A 66 -11.176 -8.616 -3.153 1.00 4.24 O ATOM 1041 NE2 GLN A 66 -9.311 -8.180 -2.132 1.00 4.93 N ATOM 0 H GLN A 66 -9.753 -3.421 -1.286 1.00 1.23 H new ATOM 0 HA GLN A 66 -9.155 -5.790 -2.977 1.00 1.40 H new ATOM 0 HB2 GLN A 66 -11.891 -4.755 -2.050 1.00 1.85 H new ATOM 0 HB3 GLN A 66 -11.733 -5.773 -3.467 1.00 1.85 H new ATOM 0 HG2 GLN A 66 -10.691 -6.551 -0.693 1.00 2.74 H new ATOM 0 HG3 GLN A 66 -12.250 -7.049 -1.319 1.00 2.74 H new ATOM 0 HE21 GLN A 66 -8.791 -7.616 -1.460 1.00 4.93 H new ATOM 0 HE22 GLN A 66 -8.844 -8.936 -2.633 1.00 4.93 H new ATOM 1050 N GLN A 67 -9.639 -2.748 -3.742 1.00 1.02 N ATOM 1051 CA GLN A 67 -9.684 -1.810 -4.891 1.00 1.03 C ATOM 1052 C GLN A 67 -8.271 -1.407 -5.336 1.00 0.78 C ATOM 1053 O GLN A 67 -7.358 -1.365 -4.526 1.00 0.74 O ATOM 1054 CB GLN A 67 -10.476 -0.607 -4.376 1.00 1.38 C ATOM 1055 CG GLN A 67 -10.251 0.638 -5.225 1.00 2.18 C ATOM 1056 CD GLN A 67 -10.854 0.453 -6.622 1.00 3.53 C ATOM 1057 OE1 GLN A 67 -11.967 0.013 -6.769 1.00 3.75 O ATOM 1058 NE2 GLN A 67 -10.167 0.783 -7.672 1.00 5.24 N ATOM 0 H GLN A 67 -9.426 -2.324 -2.839 1.00 1.02 H new ATOM 0 HA GLN A 67 -10.148 -2.257 -5.771 1.00 1.03 H new ATOM 0 HB2 GLN A 67 -11.538 -0.851 -4.367 1.00 1.38 H new ATOM 0 HB3 GLN A 67 -10.188 -0.399 -3.346 1.00 1.38 H new ATOM 0 HG2 GLN A 67 -10.703 1.503 -4.739 1.00 2.18 H new ATOM 0 HG3 GLN A 67 -9.183 0.841 -5.308 1.00 2.18 H new ATOM 0 HE21 GLN A 67 -9.224 1.157 -7.568 1.00 5.24 H new ATOM 0 HE22 GLN A 67 -10.570 0.669 -8.602 1.00 5.24 H new ATOM 1067 N HIS A 68 -8.133 -1.062 -6.595 1.00 0.80 N ATOM 1068 CA HIS A 68 -6.792 -0.640 -7.098 1.00 0.68 C ATOM 1069 C HIS A 68 -6.651 0.862 -6.849 1.00 0.61 C ATOM 1070 O HIS A 68 -7.551 1.621 -7.171 1.00 0.83 O ATOM 1071 CB HIS A 68 -6.661 -0.875 -8.600 1.00 0.85 C ATOM 1072 CG HIS A 68 -5.315 -0.369 -9.095 1.00 0.99 C ATOM 1073 ND1 HIS A 68 -5.235 0.439 -10.108 1.00 1.19 N ATOM 1074 CD2 HIS A 68 -4.051 -0.505 -8.589 1.00 1.19 C ATOM 1075 CE1 HIS A 68 -3.982 0.821 -10.230 1.00 1.40 C ATOM 1076 NE2 HIS A 68 -3.268 0.235 -9.303 1.00 1.39 N ATOM 0 H HIS A 68 -8.883 -1.055 -7.287 1.00 0.80 H new ATOM 0 HA HIS A 68 -6.026 -1.220 -6.583 1.00 0.68 H new ATOM 0 HB2 HIS A 68 -6.761 -1.938 -8.819 1.00 0.85 H new ATOM 0 HB3 HIS A 68 -7.466 -0.363 -9.127 1.00 0.85 H new ATOM 0 HD1 HIS A 68 -6.009 0.728 -10.706 1.00 1.19 H new ATOM 0 HD2 HIS A 68 -3.761 -1.118 -7.748 1.00 1.19 H new ATOM 0 HE1 HIS A 68 -3.604 1.507 -10.974 1.00 1.40 H new ATOM 1084 N ILE A 69 -5.528 1.263 -6.328 1.00 0.55 N ATOM 1085 CA ILE A 69 -5.296 2.709 -6.026 1.00 0.76 C ATOM 1086 C ILE A 69 -4.136 3.230 -6.902 1.00 1.12 C ATOM 1087 O ILE A 69 -4.087 4.404 -7.234 1.00 1.52 O ATOM 1088 CB ILE A 69 -4.963 2.825 -4.523 1.00 0.67 C ATOM 1089 CG1 ILE A 69 -5.883 1.896 -3.690 1.00 0.71 C ATOM 1090 CG2 ILE A 69 -5.163 4.272 -4.052 1.00 0.83 C ATOM 1091 CD1 ILE A 69 -7.344 2.372 -3.736 1.00 0.93 C ATOM 0 H ILE A 69 -4.749 0.647 -6.094 1.00 0.55 H new ATOM 0 HA ILE A 69 -6.177 3.311 -6.248 1.00 0.76 H new ATOM 0 HB ILE A 69 -3.924 2.528 -4.380 1.00 0.67 H new ATOM 0 HG12 ILE A 69 -5.818 0.877 -4.073 1.00 0.71 H new ATOM 0 HG13 ILE A 69 -5.539 1.871 -2.656 1.00 0.71 H new ATOM 0 HG21 ILE A 69 -4.926 4.345 -2.991 1.00 0.83 H new ATOM 0 HG22 ILE A 69 -4.506 4.933 -4.617 1.00 0.83 H new ATOM 0 HG23 ILE A 69 -6.200 4.567 -4.213 1.00 0.83 H new ATOM 0 HD11 ILE A 69 -7.964 1.700 -3.143 1.00 0.93 H new ATOM 0 HD12 ILE A 69 -7.411 3.381 -3.330 1.00 0.93 H new ATOM 0 HD13 ILE A 69 -7.694 2.372 -4.768 1.00 0.93 H new ATOM 1103 N GLY A 70 -3.234 2.325 -7.223 1.00 1.19 N ATOM 1104 CA GLY A 70 -2.036 2.625 -8.105 1.00 1.78 C ATOM 1105 C GLY A 70 -1.500 4.061 -8.063 1.00 0.87 C ATOM 1106 O GLY A 70 -2.043 4.937 -8.700 1.00 2.59 O ATOM 0 H GLY A 70 -3.275 1.358 -6.902 1.00 1.19 H new ATOM 0 HA2 GLY A 70 -1.227 1.950 -7.824 1.00 1.78 H new ATOM 0 HA3 GLY A 70 -2.303 2.390 -9.135 1.00 1.78 H new ATOM 1110 N GLY A 71 -0.351 4.230 -7.453 1.00 1.08 N ATOM 1111 CA GLY A 71 0.246 5.601 -7.345 1.00 1.23 C ATOM 1112 C GLY A 71 0.457 5.976 -5.874 1.00 1.13 C ATOM 1113 O GLY A 71 -0.487 6.006 -5.101 1.00 1.77 O ATOM 0 H GLY A 71 0.197 3.483 -7.027 1.00 1.08 H new ATOM 0 HA2 GLY A 71 1.198 5.633 -7.875 1.00 1.23 H new ATOM 0 HA3 GLY A 71 -0.410 6.329 -7.822 1.00 1.23 H new ATOM 1117 N TYR A 72 1.686 6.267 -5.515 1.00 0.95 N ATOM 1118 CA TYR A 72 1.955 6.643 -4.097 1.00 0.83 C ATOM 1119 C TYR A 72 1.132 7.877 -3.750 1.00 0.81 C ATOM 1120 O TYR A 72 0.549 7.961 -2.699 1.00 0.99 O ATOM 1121 CB TYR A 72 3.441 6.966 -3.908 1.00 0.95 C ATOM 1122 CG TYR A 72 3.665 7.470 -2.477 1.00 0.92 C ATOM 1123 CD1 TYR A 72 3.446 6.634 -1.403 1.00 0.87 C ATOM 1124 CD2 TYR A 72 4.040 8.779 -2.237 1.00 1.27 C ATOM 1125 CE1 TYR A 72 3.591 7.094 -0.113 1.00 1.02 C ATOM 1126 CE2 TYR A 72 4.184 9.240 -0.942 1.00 1.42 C ATOM 1127 CZ TYR A 72 3.957 8.400 0.130 1.00 1.25 C ATOM 1128 OH TYR A 72 4.074 8.861 1.430 1.00 1.54 O ATOM 0 H TYR A 72 2.498 6.260 -6.132 1.00 0.95 H new ATOM 0 HA TYR A 72 1.685 5.810 -3.447 1.00 0.83 H new ATOM 0 HB2 TYR A 72 4.046 6.078 -4.093 1.00 0.95 H new ATOM 0 HB3 TYR A 72 3.756 7.722 -4.627 1.00 0.95 H new ATOM 0 HD1 TYR A 72 3.158 5.608 -1.575 1.00 0.87 H new ATOM 0 HD2 TYR A 72 4.222 9.446 -3.067 1.00 1.27 H new ATOM 0 HE1 TYR A 72 3.416 6.425 0.716 1.00 1.02 H new ATOM 0 HE2 TYR A 72 4.476 10.265 -0.767 1.00 1.42 H new ATOM 0 HH TYR A 72 4.341 9.804 1.420 1.00 1.54 H new ATOM 1138 N THR A 73 1.147 8.823 -4.641 1.00 0.85 N ATOM 1139 CA THR A 73 0.368 10.072 -4.412 1.00 0.90 C ATOM 1140 C THR A 73 -1.093 9.734 -4.111 1.00 0.87 C ATOM 1141 O THR A 73 -1.632 10.125 -3.100 1.00 1.09 O ATOM 1142 CB THR A 73 0.467 10.923 -5.692 1.00 1.07 C ATOM 1143 OG1 THR A 73 0.489 9.980 -6.764 1.00 1.21 O ATOM 1144 CG2 THR A 73 1.815 11.648 -5.786 1.00 1.20 C ATOM 0 H THR A 73 1.664 8.788 -5.519 1.00 0.85 H new ATOM 0 HA THR A 73 0.767 10.621 -3.559 1.00 0.90 H new ATOM 0 HB THR A 73 -0.346 11.648 -5.711 1.00 1.07 H new ATOM 0 HG1 THR A 73 -0.426 9.817 -7.075 1.00 1.21 H new ATOM 0 HG21 THR A 73 1.848 12.238 -6.702 1.00 1.20 H new ATOM 0 HG22 THR A 73 1.935 12.306 -4.926 1.00 1.20 H new ATOM 0 HG23 THR A 73 2.622 10.915 -5.797 1.00 1.20 H new ATOM 1152 N ASP A 74 -1.672 8.988 -5.002 1.00 0.79 N ATOM 1153 CA ASP A 74 -3.095 8.580 -4.858 1.00 0.77 C ATOM 1154 C ASP A 74 -3.300 7.826 -3.547 1.00 0.67 C ATOM 1155 O ASP A 74 -4.129 8.193 -2.754 1.00 0.72 O ATOM 1156 CB ASP A 74 -3.474 7.681 -6.040 1.00 0.86 C ATOM 1157 CG ASP A 74 -3.210 8.389 -7.380 1.00 1.66 C ATOM 1158 OD1 ASP A 74 -2.184 9.050 -7.485 1.00 2.69 O ATOM 1159 OD2 ASP A 74 -4.026 8.172 -8.253 1.00 2.60 O ATOM 0 H ASP A 74 -1.212 8.636 -5.841 1.00 0.79 H new ATOM 0 HA ASP A 74 -3.728 9.467 -4.848 1.00 0.77 H new ATOM 0 HB2 ASP A 74 -2.901 6.755 -5.995 1.00 0.86 H new ATOM 0 HB3 ASP A 74 -4.527 7.408 -5.970 1.00 0.86 H new ATOM 1164 N PHE A 75 -2.536 6.784 -3.355 1.00 0.62 N ATOM 1165 CA PHE A 75 -2.674 6.001 -2.092 1.00 0.60 C ATOM 1166 C PHE A 75 -2.505 6.951 -0.904 1.00 0.58 C ATOM 1167 O PHE A 75 -3.280 6.933 0.024 1.00 0.62 O ATOM 1168 CB PHE A 75 -1.614 4.894 -2.069 1.00 0.65 C ATOM 1169 CG PHE A 75 -1.661 4.139 -0.727 1.00 0.62 C ATOM 1170 CD1 PHE A 75 -2.810 3.492 -0.308 1.00 0.66 C ATOM 1171 CD2 PHE A 75 -0.540 4.089 0.079 1.00 0.73 C ATOM 1172 CE1 PHE A 75 -2.832 2.815 0.895 1.00 0.66 C ATOM 1173 CE2 PHE A 75 -0.564 3.410 1.277 1.00 0.81 C ATOM 1174 CZ PHE A 75 -1.708 2.778 1.686 1.00 0.72 C ATOM 0 H PHE A 75 -1.831 6.444 -4.009 1.00 0.62 H new ATOM 0 HA PHE A 75 -3.658 5.536 -2.031 1.00 0.60 H new ATOM 0 HB2 PHE A 75 -1.785 4.199 -2.891 1.00 0.65 H new ATOM 0 HB3 PHE A 75 -0.624 5.325 -2.217 1.00 0.65 H new ATOM 0 HD1 PHE A 75 -3.695 3.517 -0.926 1.00 0.66 H new ATOM 0 HD2 PHE A 75 0.365 4.588 -0.234 1.00 0.73 H new ATOM 0 HE1 PHE A 75 -3.733 2.314 1.215 1.00 0.66 H new ATOM 0 HE2 PHE A 75 0.321 3.376 1.895 1.00 0.81 H new ATOM 0 HZ PHE A 75 -1.727 2.251 2.629 1.00 0.72 H new ATOM 1184 N ALA A 76 -1.509 7.779 -0.976 1.00 0.62 N ATOM 1185 CA ALA A 76 -1.269 8.755 0.122 1.00 0.69 C ATOM 1186 C ALA A 76 -2.528 9.611 0.333 1.00 0.69 C ATOM 1187 O ALA A 76 -3.110 9.612 1.402 1.00 0.73 O ATOM 1188 CB ALA A 76 -0.077 9.635 -0.274 1.00 0.79 C ATOM 0 H ALA A 76 -0.846 7.825 -1.750 1.00 0.62 H new ATOM 0 HA ALA A 76 -1.048 8.238 1.056 1.00 0.69 H new ATOM 0 HB1 ALA A 76 0.119 10.360 0.516 1.00 0.79 H new ATOM 0 HB2 ALA A 76 0.804 9.010 -0.420 1.00 0.79 H new ATOM 0 HB3 ALA A 76 -0.305 10.162 -1.201 1.00 0.79 H new ATOM 1194 N ALA A 77 -2.939 10.305 -0.697 1.00 0.74 N ATOM 1195 CA ALA A 77 -4.158 11.162 -0.574 1.00 0.81 C ATOM 1196 C ALA A 77 -5.340 10.296 -0.130 1.00 0.77 C ATOM 1197 O ALA A 77 -5.880 10.495 0.934 1.00 0.81 O ATOM 1198 CB ALA A 77 -4.467 11.809 -1.929 1.00 0.88 C ATOM 0 H ALA A 77 -2.488 10.316 -1.612 1.00 0.74 H new ATOM 0 HA ALA A 77 -3.985 11.945 0.165 1.00 0.81 H new ATOM 0 HB1 ALA A 77 -5.356 12.434 -1.840 1.00 0.88 H new ATOM 0 HB2 ALA A 77 -3.622 12.423 -2.240 1.00 0.88 H new ATOM 0 HB3 ALA A 77 -4.644 11.031 -2.672 1.00 0.88 H new ATOM 1204 N TRP A 78 -5.671 9.334 -0.957 1.00 0.76 N ATOM 1205 CA TRP A 78 -6.799 8.405 -0.656 1.00 0.78 C ATOM 1206 C TRP A 78 -6.790 8.045 0.821 1.00 0.73 C ATOM 1207 O TRP A 78 -7.804 8.130 1.495 1.00 0.82 O ATOM 1208 CB TRP A 78 -6.646 7.122 -1.476 1.00 0.83 C ATOM 1209 CG TRP A 78 -7.806 6.134 -1.340 1.00 0.96 C ATOM 1210 CD1 TRP A 78 -8.842 5.987 -2.211 1.00 1.15 C ATOM 1211 CD2 TRP A 78 -8.088 5.249 -0.324 1.00 1.07 C ATOM 1212 NE1 TRP A 78 -9.675 5.092 -1.770 1.00 1.29 N ATOM 1213 CE2 TRP A 78 -9.276 4.599 -0.610 1.00 1.23 C ATOM 1214 CE3 TRP A 78 -7.400 4.997 0.848 1.00 1.21 C ATOM 1215 CZ2 TRP A 78 -9.791 3.680 0.276 1.00 1.43 C ATOM 1216 CZ3 TRP A 78 -7.940 4.081 1.731 1.00 1.47 C ATOM 1217 CH2 TRP A 78 -9.124 3.427 1.450 1.00 1.54 C ATOM 0 H TRP A 78 -5.197 9.153 -1.842 1.00 0.76 H new ATOM 0 HA TRP A 78 -7.737 8.898 -0.911 1.00 0.78 H new ATOM 0 HB2 TRP A 78 -6.536 7.390 -2.527 1.00 0.83 H new ATOM 0 HB3 TRP A 78 -5.725 6.623 -1.176 1.00 0.83 H new ATOM 0 HD1 TRP A 78 -8.955 6.535 -3.135 1.00 1.15 H new ATOM 0 HE1 TRP A 78 -10.526 4.807 -2.256 1.00 1.29 H new ATOM 0 HE3 TRP A 78 -6.470 5.500 1.067 1.00 1.21 H new ATOM 0 HZ2 TRP A 78 -10.712 3.162 0.050 1.00 1.43 H new ATOM 0 HZ3 TRP A 78 -7.427 3.873 2.658 1.00 1.47 H new ATOM 0 HH2 TRP A 78 -9.526 2.715 2.155 1.00 1.54 H new ATOM 1228 N VAL A 79 -5.640 7.611 1.282 1.00 0.66 N ATOM 1229 CA VAL A 79 -5.500 7.247 2.717 1.00 0.68 C ATOM 1230 C VAL A 79 -5.935 8.435 3.557 1.00 0.76 C ATOM 1231 O VAL A 79 -6.794 8.316 4.405 1.00 0.91 O ATOM 1232 CB VAL A 79 -4.022 6.895 2.985 1.00 0.68 C ATOM 1233 CG1 VAL A 79 -3.663 7.053 4.472 1.00 0.78 C ATOM 1234 CG2 VAL A 79 -3.775 5.444 2.569 1.00 0.75 C ATOM 0 H VAL A 79 -4.796 7.495 0.721 1.00 0.66 H new ATOM 0 HA VAL A 79 -6.121 6.388 2.973 1.00 0.68 H new ATOM 0 HB VAL A 79 -3.399 7.579 2.408 1.00 0.68 H new ATOM 0 HG11 VAL A 79 -2.614 6.796 4.622 1.00 0.78 H new ATOM 0 HG12 VAL A 79 -3.832 8.085 4.779 1.00 0.78 H new ATOM 0 HG13 VAL A 79 -4.288 6.390 5.070 1.00 0.78 H new ATOM 0 HG21 VAL A 79 -2.733 5.185 2.754 1.00 0.75 H new ATOM 0 HG22 VAL A 79 -4.421 4.784 3.148 1.00 0.75 H new ATOM 0 HG23 VAL A 79 -3.995 5.327 1.508 1.00 0.75 H new ATOM 1244 N LYS A 80 -5.370 9.562 3.236 1.00 0.80 N ATOM 1245 CA LYS A 80 -5.667 10.804 3.970 1.00 0.99 C ATOM 1246 C LYS A 80 -7.074 11.342 3.652 1.00 1.20 C ATOM 1247 O LYS A 80 -7.349 12.503 3.902 1.00 2.22 O ATOM 1248 CB LYS A 80 -4.587 11.804 3.535 1.00 1.08 C ATOM 1249 CG LYS A 80 -4.309 12.823 4.638 1.00 1.36 C ATOM 1250 CD LYS A 80 -3.809 12.115 5.914 1.00 3.24 C ATOM 1251 CE LYS A 80 -4.938 12.072 6.954 1.00 3.58 C ATOM 1252 NZ LYS A 80 -4.923 10.795 7.730 1.00 4.86 N ATOM 0 H LYS A 80 -4.699 9.669 2.475 1.00 0.80 H new ATOM 0 HA LYS A 80 -5.658 10.632 5.046 1.00 0.99 H new ATOM 0 HB2 LYS A 80 -3.669 11.270 3.289 1.00 1.08 H new ATOM 0 HB3 LYS A 80 -4.908 12.320 2.630 1.00 1.08 H new ATOM 0 HG2 LYS A 80 -3.563 13.542 4.298 1.00 1.36 H new ATOM 0 HG3 LYS A 80 -5.216 13.385 4.859 1.00 1.36 H new ATOM 0 HD2 LYS A 80 -3.481 11.103 5.676 1.00 3.24 H new ATOM 0 HD3 LYS A 80 -2.946 12.642 6.321 1.00 3.24 H new ATOM 0 HE2 LYS A 80 -4.836 12.915 7.638 1.00 3.58 H new ATOM 0 HE3 LYS A 80 -5.900 12.183 6.453 1.00 3.58 H new ATOM 0 HZ1 LYS A 80 -5.688 10.808 8.434 1.00 4.86 H new ATOM 0 HZ2 LYS A 80 -5.062 9.993 7.082 1.00 4.86 H new ATOM 0 HZ3 LYS A 80 -4.008 10.694 8.214 1.00 4.86 H new ATOM 1266 N GLU A 81 -7.911 10.509 3.078 1.00 1.11 N ATOM 1267 CA GLU A 81 -9.305 10.937 2.747 1.00 1.19 C ATOM 1268 C GLU A 81 -10.321 9.942 3.311 1.00 1.25 C ATOM 1269 O GLU A 81 -11.085 10.254 4.206 1.00 1.91 O ATOM 1270 CB GLU A 81 -9.490 10.958 1.224 1.00 1.37 C ATOM 1271 CG GLU A 81 -8.566 11.994 0.570 1.00 1.84 C ATOM 1272 CD GLU A 81 -8.434 11.734 -0.947 1.00 2.90 C ATOM 1273 OE1 GLU A 81 -9.032 10.775 -1.417 1.00 3.82 O ATOM 1274 OE2 GLU A 81 -7.731 12.515 -1.558 1.00 3.60 O ATOM 0 H GLU A 81 -7.685 9.547 2.824 1.00 1.11 H new ATOM 0 HA GLU A 81 -9.463 11.926 3.178 1.00 1.19 H new ATOM 0 HB2 GLU A 81 -9.280 9.970 0.815 1.00 1.37 H new ATOM 0 HB3 GLU A 81 -10.528 11.189 0.984 1.00 1.37 H new ATOM 0 HG2 GLU A 81 -8.960 12.996 0.738 1.00 1.84 H new ATOM 0 HG3 GLU A 81 -7.582 11.956 1.037 1.00 1.84 H new ATOM 1281 N ASN A 82 -10.198 8.725 2.858 1.00 1.20 N ATOM 1282 CA ASN A 82 -11.167 7.665 3.264 1.00 1.27 C ATOM 1283 C ASN A 82 -10.816 7.021 4.602 1.00 1.22 C ATOM 1284 O ASN A 82 -11.637 6.331 5.171 1.00 1.34 O ATOM 1285 CB ASN A 82 -11.196 6.583 2.172 1.00 1.48 C ATOM 1286 CG ASN A 82 -11.580 7.207 0.824 1.00 1.51 C ATOM 1287 OD1 ASN A 82 -12.737 7.314 0.472 1.00 2.02 O ATOM 1288 ND2 ASN A 82 -10.639 7.640 0.039 1.00 1.58 N ATOM 0 H ASN A 82 -9.464 8.416 2.220 1.00 1.20 H new ATOM 0 HA ASN A 82 -12.143 8.136 3.383 1.00 1.27 H new ATOM 0 HB2 ASN A 82 -10.219 6.106 2.096 1.00 1.48 H new ATOM 0 HB3 ASN A 82 -11.911 5.805 2.439 1.00 1.48 H new ATOM 0 HD21 ASN A 82 -10.877 8.062 -0.858 1.00 1.58 H new ATOM 0 HD22 ASN A 82 -9.662 7.557 0.320 1.00 1.58 H new ATOM 1295 N LEU A 83 -9.618 7.212 5.093 1.00 1.13 N ATOM 1296 CA LEU A 83 -9.310 6.585 6.417 1.00 1.20 C ATOM 1297 C LEU A 83 -9.455 7.643 7.504 1.00 1.35 C ATOM 1298 O LEU A 83 -9.189 7.383 8.678 1.00 1.39 O ATOM 1299 CB LEU A 83 -7.898 5.998 6.410 1.00 1.16 C ATOM 1300 CG LEU A 83 -7.767 4.984 5.257 1.00 1.10 C ATOM 1301 CD1 LEU A 83 -6.405 4.294 5.330 1.00 1.17 C ATOM 1302 CD2 LEU A 83 -8.862 3.905 5.346 1.00 1.14 C ATOM 0 H LEU A 83 -8.868 7.750 4.659 1.00 1.13 H new ATOM 0 HA LEU A 83 -10.006 5.770 6.613 1.00 1.20 H new ATOM 0 HB2 LEU A 83 -7.163 6.794 6.293 1.00 1.16 H new ATOM 0 HB3 LEU A 83 -7.691 5.510 7.362 1.00 1.16 H new ATOM 0 HG LEU A 83 -7.871 5.527 4.318 1.00 1.10 H new ATOM 0 HD11 LEU A 83 -6.316 3.578 4.513 1.00 1.17 H new ATOM 0 HD12 LEU A 83 -5.614 5.040 5.247 1.00 1.17 H new ATOM 0 HD13 LEU A 83 -6.312 3.772 6.282 1.00 1.17 H new ATOM 0 HD21 LEU A 83 -8.748 3.202 4.521 1.00 1.14 H new ATOM 0 HD22 LEU A 83 -8.772 3.372 6.293 1.00 1.14 H new ATOM 0 HD23 LEU A 83 -9.843 4.376 5.287 1.00 1.14 H new ATOM 1314 N ASP A 84 -9.902 8.794 7.061 1.00 1.68 N ATOM 1315 CA ASP A 84 -10.137 9.944 7.970 1.00 1.91 C ATOM 1316 C ASP A 84 -11.645 10.194 8.018 1.00 2.74 C ATOM 1317 O ASP A 84 -12.230 10.237 9.087 1.00 3.50 O ATOM 1318 CB ASP A 84 -9.406 11.180 7.429 1.00 2.44 C ATOM 1319 CG ASP A 84 -7.903 10.919 7.459 1.00 2.68 C ATOM 1320 OD1 ASP A 84 -7.412 10.287 6.536 1.00 3.45 O ATOM 1321 OD2 ASP A 84 -7.303 11.341 8.429 1.00 3.22 O ATOM 0 H ASP A 84 -10.117 8.982 6.082 1.00 1.68 H new ATOM 0 HA ASP A 84 -9.760 9.736 8.971 1.00 1.91 H new ATOM 0 HB2 ASP A 84 -9.731 11.394 6.411 1.00 2.44 H new ATOM 0 HB3 ASP A 84 -9.649 12.055 8.032 1.00 2.44 H new