USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 672 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 86 GSH H32 : A 86 GSH O32 : A 86 GSH C3 :(short bond) USER MOD NoAdj-H: A 86 GSH H12 : A 86 GSH O12 : A 86 GSH C1 :(short bond) USER MOD Set 1.1: A 18 LYS NZ :NH3+ -175:sc= 1.14 (180deg=1.12) USER MOD Set 1.2: A 33 TYR OH : rot 160:sc= 0 USER MOD Set 2.1: A 13 TYR OH : rot -31:sc= 1.22 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.0574 (180deg=-0.264) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.0285 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0503 K(o=-0.05,f=-2.6!) USER MOD Single : A 3 THR OG1 : rot 115:sc= 0.993 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0983 USER MOD Single : A 14 SER OG : rot 145:sc= 0.916 USER MOD Single : A 23 LYS NZ :NH3+ 134:sc= 1.1 (180deg=0.353) USER MOD Single : A 25 SER OG : rot -11:sc= 1.4 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.17) USER MOD Single : A 35 TYR OH : rot 141:sc= 0.346 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.889 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.844 X(o=-0.84,f=-0.61) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 1.06 (180deg=0.941) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 61 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.2!) USER MOD Single : A 66 GLN : amide:sc=-0.00208 K(o=-0.0021,f=-1) USER MOD Single : A 67 GLN : amide:sc= -0.0021 X(o=-0.0021,f=0) USER MOD Single : A 68 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-2.3) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.139) USER MOD Single : A 82 ASN : amide:sc= -2.66 K(o=-2.7,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.109 2.167 10.108 1.00 1.55 N ATOM 2 CA MET A 1 9.214 1.620 9.084 1.00 1.13 C ATOM 3 C MET A 1 8.564 2.756 8.304 1.00 1.07 C ATOM 4 O MET A 1 8.204 3.782 8.878 1.00 1.56 O ATOM 5 CB MET A 1 8.186 0.648 9.687 1.00 1.24 C ATOM 6 CG MET A 1 7.109 0.195 8.687 1.00 2.36 C ATOM 7 SD MET A 1 6.020 -1.136 9.258 1.00 2.94 S ATOM 8 CE MET A 1 5.094 -0.342 10.585 1.00 3.04 C ATOM 0 H1 MET A 1 10.108 1.542 10.939 1.00 1.55 H new ATOM 0 H2 MET A 1 11.074 2.234 9.726 1.00 1.55 H new ATOM 0 H3 MET A 1 9.781 3.114 10.386 1.00 1.55 H new ATOM 0 HA MET A 1 9.802 1.029 8.382 1.00 1.13 H new ATOM 0 HB2 MET A 1 8.708 -0.229 10.069 1.00 1.24 H new ATOM 0 HB3 MET A 1 7.702 1.126 10.538 1.00 1.24 H new ATOM 0 HG2 MET A 1 6.494 1.057 8.427 1.00 2.36 H new ATOM 0 HG3 MET A 1 7.603 -0.131 7.772 1.00 2.36 H new ATOM 0 HE1 MET A 1 4.524 -1.094 11.131 1.00 3.04 H new ATOM 0 HE2 MET A 1 5.786 0.154 11.265 1.00 3.04 H new ATOM 0 HE3 MET A 1 4.411 0.395 10.162 1.00 3.04 H new ATOM 20 N GLN A 2 8.378 2.555 7.007 1.00 0.74 N ATOM 21 CA GLN A 2 7.612 3.422 6.135 1.00 0.70 C ATOM 22 C GLN A 2 6.629 2.537 5.381 1.00 0.59 C ATOM 23 O GLN A 2 6.878 1.344 5.225 1.00 0.93 O ATOM 24 CB GLN A 2 8.591 4.170 5.220 1.00 0.97 C ATOM 25 CG GLN A 2 8.210 5.634 4.994 1.00 1.12 C ATOM 26 CD GLN A 2 7.143 5.790 3.927 1.00 2.24 C ATOM 27 OE1 GLN A 2 7.405 5.611 2.747 1.00 3.47 O ATOM 28 NE2 GLN A 2 5.919 6.125 4.301 1.00 2.94 N ATOM 0 H GLN A 2 8.773 1.752 6.519 1.00 0.74 H new ATOM 0 HA GLN A 2 7.041 4.180 6.671 1.00 0.70 H new ATOM 0 HB2 GLN A 2 9.590 4.125 5.654 1.00 0.97 H new ATOM 0 HB3 GLN A 2 8.638 3.661 4.257 1.00 0.97 H new ATOM 0 HG2 GLN A 2 7.851 6.063 5.930 1.00 1.12 H new ATOM 0 HG3 GLN A 2 9.097 6.198 4.704 1.00 1.12 H new ATOM 0 HE21 GLN A 2 5.710 6.272 5.288 1.00 2.94 H new ATOM 0 HE22 GLN A 2 5.185 6.236 3.602 1.00 2.94 H new ATOM 37 N THR A 3 5.508 3.101 4.949 1.00 0.67 N ATOM 38 CA THR A 3 4.467 2.373 4.249 1.00 0.65 C ATOM 39 C THR A 3 4.014 3.240 3.079 1.00 0.79 C ATOM 40 O THR A 3 3.259 4.197 3.259 1.00 1.29 O ATOM 41 CB THR A 3 3.344 2.033 5.238 1.00 0.67 C ATOM 42 OG1 THR A 3 3.903 1.457 6.404 1.00 0.84 O ATOM 43 CG2 THR A 3 2.349 1.045 4.635 1.00 1.00 C ATOM 0 H THR A 3 5.297 4.091 5.079 1.00 0.67 H new ATOM 0 HA THR A 3 4.815 1.422 3.846 1.00 0.65 H new ATOM 0 HB THR A 3 2.817 2.957 5.477 1.00 0.67 H new ATOM 0 HG1 THR A 3 3.741 2.047 7.170 1.00 0.84 H new ATOM 0 HG21 THR A 3 1.567 0.826 5.362 1.00 1.00 H new ATOM 0 HG22 THR A 3 1.902 1.479 3.741 1.00 1.00 H new ATOM 0 HG23 THR A 3 2.867 0.123 4.371 1.00 1.00 H new ATOM 51 N VAL A 4 4.521 2.955 1.884 1.00 0.59 N ATOM 52 CA VAL A 4 4.161 3.719 0.704 1.00 0.62 C ATOM 53 C VAL A 4 2.862 3.129 0.169 1.00 0.63 C ATOM 54 O VAL A 4 2.764 1.906 0.108 1.00 0.71 O ATOM 55 CB VAL A 4 5.273 3.621 -0.352 1.00 0.86 C ATOM 56 CG1 VAL A 4 4.907 4.399 -1.622 1.00 1.10 C ATOM 57 CG2 VAL A 4 6.570 4.194 0.216 1.00 0.96 C ATOM 0 H VAL A 4 5.183 2.199 1.711 1.00 0.59 H new ATOM 0 HA VAL A 4 4.032 4.774 0.947 1.00 0.62 H new ATOM 0 HB VAL A 4 5.399 2.569 -0.609 1.00 0.86 H new ATOM 0 HG11 VAL A 4 5.714 4.310 -2.349 1.00 1.10 H new ATOM 0 HG12 VAL A 4 3.990 3.991 -2.047 1.00 1.10 H new ATOM 0 HG13 VAL A 4 4.757 5.450 -1.374 1.00 1.10 H new ATOM 0 HG21 VAL A 4 7.358 4.124 -0.534 1.00 0.96 H new ATOM 0 HG22 VAL A 4 6.418 5.239 0.486 1.00 0.96 H new ATOM 0 HG23 VAL A 4 6.861 3.629 1.101 1.00 0.96 H new ATOM 67 N ILE A 5 1.886 3.945 -0.232 1.00 0.64 N ATOM 68 CA ILE A 5 0.652 3.476 -0.853 1.00 0.62 C ATOM 69 C ILE A 5 0.785 3.789 -2.333 1.00 0.61 C ATOM 70 O ILE A 5 0.378 4.860 -2.777 1.00 0.99 O ATOM 71 CB ILE A 5 -0.610 4.120 -0.233 1.00 0.71 C ATOM 72 CG1 ILE A 5 -0.485 4.480 1.256 1.00 1.00 C ATOM 73 CG2 ILE A 5 -1.876 3.313 -0.556 1.00 0.87 C ATOM 74 CD1 ILE A 5 -0.285 3.308 2.204 1.00 1.65 C ATOM 0 H ILE A 5 1.933 4.959 -0.133 1.00 0.64 H new ATOM 0 HA ILE A 5 0.519 2.407 -0.685 1.00 0.62 H new ATOM 0 HB ILE A 5 -0.710 5.089 -0.722 1.00 0.71 H new ATOM 0 HG12 ILE A 5 0.353 5.167 1.376 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -1.384 5.018 1.557 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -2.741 3.797 -0.103 1.00 0.87 H new ATOM 0 HG22 ILE A 5 -2.011 3.265 -1.637 1.00 0.87 H new ATOM 0 HG23 ILE A 5 -1.775 2.303 -0.158 1.00 0.87 H new ATOM 0 HD11 ILE A 5 -0.209 3.676 3.227 1.00 1.65 H new ATOM 0 HD12 ILE A 5 -1.133 2.627 2.125 1.00 1.65 H new ATOM 0 HD13 ILE A 5 0.631 2.779 1.940 1.00 1.65 H new ATOM 86 N PHE A 6 1.388 2.889 -3.095 1.00 0.83 N ATOM 87 CA PHE A 6 1.570 3.072 -4.515 1.00 1.06 C ATOM 88 C PHE A 6 0.296 2.628 -5.214 1.00 1.48 C ATOM 89 O PHE A 6 -0.011 1.442 -5.207 1.00 1.89 O ATOM 90 CB PHE A 6 2.717 2.170 -4.973 1.00 1.33 C ATOM 91 CG PHE A 6 4.078 2.817 -5.060 1.00 1.17 C ATOM 92 CD1 PHE A 6 4.251 3.926 -5.906 1.00 1.28 C ATOM 93 CD2 PHE A 6 5.201 2.188 -4.494 1.00 1.97 C ATOM 94 CE1 PHE A 6 5.531 4.464 -6.099 1.00 1.49 C ATOM 95 CE2 PHE A 6 6.486 2.700 -4.730 1.00 2.03 C ATOM 96 CZ PHE A 6 6.646 3.857 -5.504 1.00 1.48 C ATOM 0 H PHE A 6 1.764 2.010 -2.738 1.00 0.83 H new ATOM 0 HA PHE A 6 1.792 4.114 -4.747 1.00 1.06 H new ATOM 0 HB2 PHE A 6 2.783 1.324 -4.288 1.00 1.33 H new ATOM 0 HB3 PHE A 6 2.466 1.767 -5.954 1.00 1.33 H new ATOM 0 HD1 PHE A 6 3.399 4.363 -6.406 1.00 1.28 H new ATOM 0 HD2 PHE A 6 5.074 1.310 -3.877 1.00 1.97 H new ATOM 0 HE1 PHE A 6 5.658 5.347 -6.707 1.00 1.49 H new ATOM 0 HE2 PHE A 6 7.351 2.203 -4.316 1.00 2.03 H new ATOM 0 HZ PHE A 6 7.629 4.282 -5.642 1.00 1.48 H new ATOM 106 N GLY A 7 -0.452 3.524 -5.840 1.00 1.58 N ATOM 107 CA GLY A 7 -1.663 3.089 -6.508 1.00 2.22 C ATOM 108 C GLY A 7 -2.543 4.266 -6.873 1.00 1.52 C ATOM 109 O GLY A 7 -2.047 5.295 -7.324 1.00 2.63 O ATOM 0 H GLY A 7 -0.250 4.522 -5.898 1.00 1.58 H new ATOM 0 HA2 GLY A 7 -1.404 2.533 -7.409 1.00 2.22 H new ATOM 0 HA3 GLY A 7 -2.214 2.408 -5.860 1.00 2.22 H new ATOM 113 N ARG A 8 -3.842 4.130 -6.637 1.00 1.34 N ATOM 114 CA ARG A 8 -4.824 5.184 -6.757 1.00 1.84 C ATOM 115 C ARG A 8 -5.957 4.764 -5.819 1.00 1.56 C ATOM 116 O ARG A 8 -5.717 3.985 -4.893 1.00 2.80 O ATOM 117 CB ARG A 8 -5.237 5.345 -8.236 1.00 3.37 C ATOM 118 CG ARG A 8 -5.217 6.811 -8.685 1.00 4.77 C ATOM 119 CD ARG A 8 -6.299 7.637 -7.996 1.00 5.32 C ATOM 120 NE ARG A 8 -6.247 9.049 -8.410 1.00 6.45 N ATOM 121 CZ ARG A 8 -6.792 10.065 -7.720 1.00 7.20 C ATOM 122 NH1 ARG A 8 -7.458 9.842 -6.591 1.00 7.28 N ATOM 123 NH2 ARG A 8 -6.714 11.316 -8.165 1.00 8.41 N ATOM 0 H ARG A 8 -4.250 3.242 -6.345 1.00 1.34 H new ATOM 0 HA ARG A 8 -4.463 6.172 -6.470 1.00 1.84 H new ATOM 0 HB2 ARG A 8 -4.562 4.764 -8.865 1.00 3.37 H new ATOM 0 HB3 ARG A 8 -6.237 4.936 -8.379 1.00 3.37 H new ATOM 0 HG2 ARG A 8 -4.240 7.242 -8.469 1.00 4.77 H new ATOM 0 HG3 ARG A 8 -5.356 6.861 -9.765 1.00 4.77 H new ATOM 0 HD2 ARG A 8 -7.279 7.224 -8.232 1.00 5.32 H new ATOM 0 HD3 ARG A 8 -6.177 7.569 -6.915 1.00 5.32 H new ATOM 0 HE ARG A 8 -5.764 9.271 -9.280 1.00 6.45 H new ATOM 0 HH11 ARG A 8 -7.560 8.890 -6.239 1.00 7.28 H new ATOM 0 HH12 ARG A 8 -7.867 10.623 -6.077 1.00 7.28 H new ATOM 0 HH21 ARG A 8 -6.235 11.516 -9.043 1.00 8.41 H new ATOM 0 HH22 ARG A 8 -7.133 12.075 -7.628 1.00 8.41 H new ATOM 137 N SER A 9 -7.173 5.261 -6.023 1.00 1.67 N ATOM 138 CA SER A 9 -8.344 4.809 -5.303 1.00 2.08 C ATOM 139 C SER A 9 -8.791 3.488 -5.942 1.00 2.11 C ATOM 140 O SER A 9 -8.108 2.480 -5.796 1.00 3.25 O ATOM 141 CB SER A 9 -9.369 5.953 -5.314 1.00 3.07 C ATOM 142 OG SER A 9 -9.361 6.605 -6.579 1.00 3.47 O ATOM 0 H SER A 9 -7.368 5.997 -6.702 1.00 1.67 H new ATOM 0 HA SER A 9 -8.173 4.585 -4.250 1.00 2.08 H new ATOM 0 HB2 SER A 9 -10.364 5.562 -5.104 1.00 3.07 H new ATOM 0 HB3 SER A 9 -9.135 6.669 -4.526 1.00 3.07 H new ATOM 0 HG SER A 9 -10.019 7.331 -6.577 1.00 3.47 H new ATOM 148 N GLY A 10 -9.885 3.475 -6.703 1.00 1.94 N ATOM 149 CA GLY A 10 -10.356 2.287 -7.397 1.00 2.69 C ATOM 150 C GLY A 10 -11.558 1.656 -6.700 1.00 2.03 C ATOM 151 O GLY A 10 -12.449 1.136 -7.380 1.00 2.77 O ATOM 0 H GLY A 10 -10.470 4.297 -6.853 1.00 1.94 H new ATOM 0 HA2 GLY A 10 -10.626 2.548 -8.420 1.00 2.69 H new ATOM 0 HA3 GLY A 10 -9.548 1.558 -7.457 1.00 2.69 H new ATOM 155 N CYS A 11 -11.595 1.650 -5.366 1.00 1.65 N ATOM 156 CA CYS A 11 -12.602 0.896 -4.622 1.00 1.26 C ATOM 157 C CYS A 11 -12.629 1.385 -3.175 1.00 1.09 C ATOM 158 O CYS A 11 -11.612 1.872 -2.689 1.00 1.19 O ATOM 159 CB CYS A 11 -12.229 -0.592 -4.672 1.00 1.59 C ATOM 160 SG CYS A 11 -13.286 -1.646 -5.645 1.00 1.73 S ATOM 0 H CYS A 11 -10.936 2.161 -4.779 1.00 1.65 H new ATOM 0 HA CYS A 11 -13.590 1.040 -5.060 1.00 1.26 H new ATOM 0 HB2 CYS A 11 -11.214 -0.676 -5.060 1.00 1.59 H new ATOM 0 HB3 CYS A 11 -12.213 -0.974 -3.651 1.00 1.59 H new ATOM 165 N PRO A 12 -13.747 1.236 -2.450 1.00 1.03 N ATOM 166 CA PRO A 12 -13.791 1.573 -1.039 1.00 1.03 C ATOM 167 C PRO A 12 -12.829 0.663 -0.272 1.00 1.02 C ATOM 168 O PRO A 12 -12.036 1.121 0.546 1.00 1.06 O ATOM 169 CB PRO A 12 -15.251 1.378 -0.621 1.00 1.10 C ATOM 170 CG PRO A 12 -15.806 0.360 -1.620 1.00 1.18 C ATOM 171 CD PRO A 12 -14.983 0.611 -2.885 1.00 1.15 C ATOM 0 HA PRO A 12 -13.476 2.595 -0.827 1.00 1.03 H new ATOM 0 HB2 PRO A 12 -15.325 1.010 0.402 1.00 1.10 H new ATOM 0 HB3 PRO A 12 -15.804 2.316 -0.663 1.00 1.10 H new ATOM 0 HG2 PRO A 12 -15.686 -0.662 -1.260 1.00 1.18 H new ATOM 0 HG3 PRO A 12 -16.871 0.512 -1.798 1.00 1.18 H new ATOM 0 HD2 PRO A 12 -14.783 -0.323 -3.410 1.00 1.15 H new ATOM 0 HD3 PRO A 12 -15.522 1.257 -3.578 1.00 1.15 H new ATOM 179 N TYR A 13 -12.887 -0.638 -0.564 1.00 1.05 N ATOM 180 CA TYR A 13 -12.003 -1.638 0.013 1.00 1.09 C ATOM 181 C TYR A 13 -10.542 -1.262 -0.216 1.00 1.05 C ATOM 182 O TYR A 13 -9.717 -1.393 0.682 1.00 1.24 O ATOM 183 CB TYR A 13 -12.310 -2.991 -0.638 1.00 1.20 C ATOM 184 CG TYR A 13 -11.814 -4.174 0.163 1.00 1.37 C ATOM 185 CD1 TYR A 13 -10.507 -4.667 0.007 1.00 2.64 C ATOM 186 CD2 TYR A 13 -12.671 -4.752 1.109 1.00 1.90 C ATOM 187 CE1 TYR A 13 -10.099 -5.802 0.733 1.00 3.06 C ATOM 188 CE2 TYR A 13 -12.243 -5.841 1.881 1.00 2.29 C ATOM 189 CZ TYR A 13 -10.971 -6.387 1.669 1.00 2.45 C ATOM 190 OH TYR A 13 -10.550 -7.389 2.485 1.00 3.13 O ATOM 0 H TYR A 13 -13.564 -1.027 -1.220 1.00 1.05 H new ATOM 0 HA TYR A 13 -12.168 -1.695 1.089 1.00 1.09 H new ATOM 0 HB2 TYR A 13 -13.387 -3.082 -0.776 1.00 1.20 H new ATOM 0 HB3 TYR A 13 -11.858 -3.019 -1.629 1.00 1.20 H new ATOM 0 HD1 TYR A 13 -9.819 -4.177 -0.667 1.00 2.64 H new ATOM 0 HD2 TYR A 13 -13.667 -4.356 1.244 1.00 1.90 H new ATOM 0 HE1 TYR A 13 -9.118 -6.223 0.572 1.00 3.06 H new ATOM 0 HE2 TYR A 13 -12.892 -6.258 2.637 1.00 2.29 H new ATOM 0 HH TYR A 13 -9.867 -7.920 2.025 1.00 3.13 H new ATOM 200 N SER A 14 -10.220 -0.825 -1.430 1.00 0.90 N ATOM 201 CA SER A 14 -8.869 -0.549 -1.834 1.00 0.87 C ATOM 202 C SER A 14 -8.353 0.607 -0.972 1.00 0.80 C ATOM 203 O SER A 14 -7.320 0.513 -0.314 1.00 0.85 O ATOM 204 CB SER A 14 -8.915 -0.183 -3.326 1.00 0.93 C ATOM 205 OG SER A 14 -9.064 1.186 -3.636 1.00 1.24 O ATOM 0 H SER A 14 -10.909 -0.654 -2.162 1.00 0.90 H new ATOM 0 HA SER A 14 -8.198 -1.397 -1.700 1.00 0.87 H new ATOM 0 HB2 SER A 14 -7.997 -0.540 -3.793 1.00 0.93 H new ATOM 0 HB3 SER A 14 -9.740 -0.728 -3.785 1.00 0.93 H new ATOM 0 HG SER A 14 -8.558 1.394 -4.449 1.00 1.24 H new ATOM 211 N VAL A 15 -9.125 1.697 -0.941 1.00 0.76 N ATOM 212 CA VAL A 15 -8.848 2.891 -0.159 1.00 0.79 C ATOM 213 C VAL A 15 -8.780 2.539 1.327 1.00 0.70 C ATOM 214 O VAL A 15 -8.007 3.144 2.065 1.00 0.70 O ATOM 215 CB VAL A 15 -9.904 3.967 -0.470 1.00 0.94 C ATOM 216 CG1 VAL A 15 -9.730 5.210 0.413 1.00 1.08 C ATOM 217 CG2 VAL A 15 -9.791 4.412 -1.934 1.00 1.15 C ATOM 0 H VAL A 15 -9.988 1.768 -1.480 1.00 0.76 H new ATOM 0 HA VAL A 15 -7.876 3.303 -0.430 1.00 0.79 H new ATOM 0 HB VAL A 15 -10.878 3.520 -0.273 1.00 0.94 H new ATOM 0 HG11 VAL A 15 -10.495 5.945 0.162 1.00 1.08 H new ATOM 0 HG12 VAL A 15 -9.828 4.928 1.461 1.00 1.08 H new ATOM 0 HG13 VAL A 15 -8.743 5.641 0.244 1.00 1.08 H new ATOM 0 HG21 VAL A 15 -10.543 5.173 -2.142 1.00 1.15 H new ATOM 0 HG22 VAL A 15 -8.798 4.824 -2.113 1.00 1.15 H new ATOM 0 HG23 VAL A 15 -9.952 3.555 -2.588 1.00 1.15 H new ATOM 227 N ARG A 16 -9.531 1.536 1.782 1.00 0.70 N ATOM 228 CA ARG A 16 -9.407 1.052 3.149 1.00 0.73 C ATOM 229 C ARG A 16 -7.939 0.713 3.470 1.00 0.59 C ATOM 230 O ARG A 16 -7.493 0.881 4.598 1.00 0.68 O ATOM 231 CB ARG A 16 -10.380 -0.114 3.399 1.00 0.92 C ATOM 232 CG ARG A 16 -10.924 -0.198 4.836 1.00 1.55 C ATOM 233 CD ARG A 16 -9.913 -0.857 5.773 1.00 2.67 C ATOM 234 NE ARG A 16 -10.376 -1.006 7.160 1.00 3.27 N ATOM 235 CZ ARG A 16 -10.958 -2.109 7.647 1.00 3.47 C ATOM 236 NH1 ARG A 16 -11.585 -2.945 6.821 1.00 3.44 N ATOM 237 NH2 ARG A 16 -10.892 -2.382 8.944 1.00 4.64 N ATOM 0 H ARG A 16 -10.229 1.046 1.222 1.00 0.70 H new ATOM 0 HA ARG A 16 -9.695 1.841 3.844 1.00 0.73 H new ATOM 0 HB2 ARG A 16 -11.221 -0.022 2.711 1.00 0.92 H new ATOM 0 HB3 ARG A 16 -9.874 -1.050 3.161 1.00 0.92 H new ATOM 0 HG2 ARG A 16 -11.160 0.803 5.197 1.00 1.55 H new ATOM 0 HG3 ARG A 16 -11.854 -0.766 4.843 1.00 1.55 H new ATOM 0 HD2 ARG A 16 -9.660 -1.842 5.380 1.00 2.67 H new ATOM 0 HD3 ARG A 16 -8.996 -0.268 5.770 1.00 2.67 H new ATOM 0 HE ARG A 16 -10.245 -0.217 7.793 1.00 3.27 H new ATOM 0 HH11 ARG A 16 -11.620 -2.744 5.822 1.00 3.44 H new ATOM 0 HH12 ARG A 16 -12.030 -3.786 7.188 1.00 3.44 H new ATOM 0 HH21 ARG A 16 -10.397 -1.751 9.574 1.00 4.64 H new ATOM 0 HH22 ARG A 16 -11.337 -3.223 9.311 1.00 4.64 H new ATOM 251 N ALA A 17 -7.140 0.281 2.494 1.00 0.47 N ATOM 252 CA ALA A 17 -5.715 0.073 2.718 1.00 0.44 C ATOM 253 C ALA A 17 -5.062 1.362 3.240 1.00 0.47 C ATOM 254 O ALA A 17 -4.353 1.365 4.245 1.00 0.49 O ATOM 255 CB ALA A 17 -5.049 -0.428 1.432 1.00 0.46 C ATOM 0 H ALA A 17 -7.456 0.070 1.547 1.00 0.47 H new ATOM 0 HA ALA A 17 -5.577 -0.693 3.482 1.00 0.44 H new ATOM 0 HB1 ALA A 17 -3.984 -0.581 1.609 1.00 0.46 H new ATOM 0 HB2 ALA A 17 -5.505 -1.371 1.129 1.00 0.46 H new ATOM 0 HB3 ALA A 17 -5.183 0.310 0.641 1.00 0.46 H new ATOM 261 N LYS A 18 -5.335 2.475 2.565 1.00 0.51 N ATOM 262 CA LYS A 18 -4.892 3.795 2.979 1.00 0.60 C ATOM 263 C LYS A 18 -5.455 4.141 4.352 1.00 0.58 C ATOM 264 O LYS A 18 -4.730 4.640 5.204 1.00 0.64 O ATOM 265 CB LYS A 18 -5.276 4.805 1.892 1.00 0.74 C ATOM 266 CG LYS A 18 -5.184 6.277 2.314 1.00 0.96 C ATOM 267 CD LYS A 18 -6.552 6.740 2.827 1.00 1.80 C ATOM 268 CE LYS A 18 -6.449 7.654 4.047 1.00 2.51 C ATOM 269 NZ LYS A 18 -6.084 9.036 3.693 1.00 2.16 N ATOM 0 H LYS A 18 -5.879 2.481 1.702 1.00 0.51 H new ATOM 0 HA LYS A 18 -3.808 3.822 3.088 1.00 0.60 H new ATOM 0 HB2 LYS A 18 -4.630 4.649 1.028 1.00 0.74 H new ATOM 0 HB3 LYS A 18 -6.296 4.598 1.569 1.00 0.74 H new ATOM 0 HG2 LYS A 18 -4.430 6.398 3.092 1.00 0.96 H new ATOM 0 HG3 LYS A 18 -4.872 6.891 1.469 1.00 0.96 H new ATOM 0 HD2 LYS A 18 -7.075 7.265 2.028 1.00 1.80 H new ATOM 0 HD3 LYS A 18 -7.153 5.868 3.082 1.00 1.80 H new ATOM 0 HE2 LYS A 18 -7.403 7.658 4.574 1.00 2.51 H new ATOM 0 HE3 LYS A 18 -5.706 7.251 4.736 1.00 2.51 H new ATOM 0 HZ1 LYS A 18 -5.945 9.592 4.561 1.00 2.16 H new ATOM 0 HZ2 LYS A 18 -5.203 9.032 3.140 1.00 2.16 H new ATOM 0 HZ3 LYS A 18 -6.846 9.462 3.127 1.00 2.16 H new ATOM 283 N ASP A 19 -6.749 3.908 4.550 1.00 0.54 N ATOM 284 CA ASP A 19 -7.434 4.182 5.817 1.00 0.59 C ATOM 285 C ASP A 19 -6.656 3.540 6.968 1.00 0.63 C ATOM 286 O ASP A 19 -6.313 4.192 7.955 1.00 0.70 O ATOM 287 CB ASP A 19 -8.874 3.644 5.765 1.00 0.62 C ATOM 288 CG ASP A 19 -9.684 3.938 7.009 1.00 0.89 C ATOM 289 OD1 ASP A 19 -9.287 3.542 8.122 1.00 1.84 O ATOM 290 OD2 ASP A 19 -10.784 4.506 6.871 1.00 2.06 O ATOM 0 H ASP A 19 -7.360 3.520 3.831 1.00 0.54 H new ATOM 0 HA ASP A 19 -7.478 5.259 5.981 1.00 0.59 H new ATOM 0 HB2 ASP A 19 -9.382 4.076 4.902 1.00 0.62 H new ATOM 0 HB3 ASP A 19 -8.843 2.566 5.610 1.00 0.62 H new ATOM 295 N LEU A 20 -6.366 2.253 6.801 1.00 0.64 N ATOM 296 CA LEU A 20 -5.704 1.403 7.771 1.00 0.64 C ATOM 297 C LEU A 20 -4.323 2.014 8.056 1.00 0.56 C ATOM 298 O LEU A 20 -3.986 2.260 9.212 1.00 0.61 O ATOM 299 CB LEU A 20 -5.672 -0.020 7.176 1.00 0.66 C ATOM 300 CG LEU A 20 -5.167 -1.188 8.042 1.00 0.67 C ATOM 301 CD1 LEU A 20 -3.892 -0.914 8.826 1.00 1.81 C ATOM 302 CD2 LEU A 20 -6.257 -1.638 9.020 1.00 2.41 C ATOM 0 H LEU A 20 -6.600 1.756 5.942 1.00 0.64 H new ATOM 0 HA LEU A 20 -6.215 1.335 8.731 1.00 0.64 H new ATOM 0 HB2 LEU A 20 -6.685 -0.264 6.856 1.00 0.66 H new ATOM 0 HB3 LEU A 20 -5.054 0.014 6.279 1.00 0.66 H new ATOM 0 HG LEU A 20 -4.922 -1.971 7.325 1.00 0.67 H new ATOM 0 HD11 LEU A 20 -3.622 -1.799 9.402 1.00 1.81 H new ATOM 0 HD12 LEU A 20 -3.085 -0.671 8.135 1.00 1.81 H new ATOM 0 HD13 LEU A 20 -4.054 -0.076 9.503 1.00 1.81 H new ATOM 0 HD21 LEU A 20 -5.884 -2.464 9.625 1.00 2.41 H new ATOM 0 HD22 LEU A 20 -6.529 -0.806 9.670 1.00 2.41 H new ATOM 0 HD23 LEU A 20 -7.135 -1.964 8.462 1.00 2.41 H new ATOM 314 N ALA A 21 -3.533 2.298 7.015 1.00 0.49 N ATOM 315 CA ALA A 21 -2.229 2.948 7.156 1.00 0.45 C ATOM 316 C ALA A 21 -2.353 4.267 7.921 1.00 0.48 C ATOM 317 O ALA A 21 -1.584 4.493 8.847 1.00 0.48 O ATOM 318 CB ALA A 21 -1.613 3.182 5.774 1.00 0.47 C ATOM 0 H ALA A 21 -3.782 2.082 6.050 1.00 0.49 H new ATOM 0 HA ALA A 21 -1.574 2.292 7.729 1.00 0.45 H new ATOM 0 HB1 ALA A 21 -0.643 3.666 5.885 1.00 0.47 H new ATOM 0 HB2 ALA A 21 -1.486 2.226 5.266 1.00 0.47 H new ATOM 0 HB3 ALA A 21 -2.272 3.821 5.185 1.00 0.47 H new ATOM 324 N GLU A 22 -3.297 5.136 7.557 1.00 0.54 N ATOM 325 CA GLU A 22 -3.439 6.438 8.195 1.00 0.63 C ATOM 326 C GLU A 22 -3.719 6.234 9.684 1.00 0.65 C ATOM 327 O GLU A 22 -3.056 6.827 10.535 1.00 0.69 O ATOM 328 CB GLU A 22 -4.525 7.278 7.492 1.00 0.79 C ATOM 329 CG GLU A 22 -4.753 8.621 8.207 1.00 0.99 C ATOM 330 CD GLU A 22 -5.662 9.585 7.476 1.00 1.54 C ATOM 331 OE1 GLU A 22 -6.006 9.355 6.301 1.00 2.40 O ATOM 332 OE2 GLU A 22 -6.039 10.593 8.111 1.00 2.49 O ATOM 0 H GLU A 22 -3.977 4.956 6.818 1.00 0.54 H new ATOM 0 HA GLU A 22 -2.512 7.004 8.101 1.00 0.63 H new ATOM 0 HB2 GLU A 22 -4.232 7.461 6.458 1.00 0.79 H new ATOM 0 HB3 GLU A 22 -5.459 6.717 7.464 1.00 0.79 H new ATOM 0 HG2 GLU A 22 -5.174 8.424 9.193 1.00 0.99 H new ATOM 0 HG3 GLU A 22 -3.787 9.102 8.363 1.00 0.99 H new ATOM 339 N LYS A 23 -4.687 5.371 10.004 1.00 0.66 N ATOM 340 CA LYS A 23 -4.988 5.042 11.386 1.00 0.74 C ATOM 341 C LYS A 23 -3.707 4.598 12.079 1.00 0.74 C ATOM 342 O LYS A 23 -3.334 5.157 13.108 1.00 0.83 O ATOM 343 CB LYS A 23 -6.087 3.973 11.469 1.00 0.87 C ATOM 344 CG LYS A 23 -6.405 3.509 12.899 1.00 2.01 C ATOM 345 CD LYS A 23 -6.507 4.673 13.894 1.00 3.38 C ATOM 346 CE LYS A 23 -7.246 4.235 15.162 1.00 4.12 C ATOM 347 NZ LYS A 23 -6.950 5.113 16.308 1.00 5.35 N ATOM 0 H LYS A 23 -5.272 4.891 9.320 1.00 0.66 H new ATOM 0 HA LYS A 23 -5.373 5.924 11.898 1.00 0.74 H new ATOM 0 HB2 LYS A 23 -6.997 4.367 11.016 1.00 0.87 H new ATOM 0 HB3 LYS A 23 -5.784 3.109 10.877 1.00 0.87 H new ATOM 0 HG2 LYS A 23 -7.344 2.956 12.896 1.00 2.01 H new ATOM 0 HG3 LYS A 23 -5.630 2.819 13.233 1.00 2.01 H new ATOM 0 HD2 LYS A 23 -5.509 5.026 14.152 1.00 3.38 H new ATOM 0 HD3 LYS A 23 -7.031 5.509 13.431 1.00 3.38 H new ATOM 0 HE2 LYS A 23 -8.320 4.235 14.974 1.00 4.12 H new ATOM 0 HE3 LYS A 23 -6.966 3.211 15.409 1.00 4.12 H new ATOM 0 HZ1 LYS A 23 -7.835 5.357 16.796 1.00 5.35 H new ATOM 0 HZ2 LYS A 23 -6.315 4.620 16.968 1.00 5.35 H new ATOM 0 HZ3 LYS A 23 -6.490 5.982 15.970 1.00 5.35 H new ATOM 361 N LEU A 24 -3.021 3.607 11.516 1.00 0.70 N ATOM 362 CA LEU A 24 -1.766 3.140 12.060 1.00 0.78 C ATOM 363 C LEU A 24 -0.814 4.318 12.292 1.00 0.81 C ATOM 364 O LEU A 24 -0.234 4.407 13.363 1.00 0.94 O ATOM 365 CB LEU A 24 -1.161 2.035 11.182 1.00 0.82 C ATOM 366 CG LEU A 24 -1.771 0.641 11.386 1.00 0.92 C ATOM 367 CD1 LEU A 24 -1.130 -0.304 10.363 1.00 1.03 C ATOM 368 CD2 LEU A 24 -1.495 0.063 12.782 1.00 1.11 C ATOM 0 H LEU A 24 -3.323 3.113 10.676 1.00 0.70 H new ATOM 0 HA LEU A 24 -1.946 2.685 13.034 1.00 0.78 H new ATOM 0 HB2 LEU A 24 -1.278 2.317 10.136 1.00 0.82 H new ATOM 0 HB3 LEU A 24 -0.090 1.980 11.379 1.00 0.82 H new ATOM 0 HG LEU A 24 -2.851 0.733 11.268 1.00 0.92 H new ATOM 0 HD11 LEU A 24 -1.544 -1.305 10.483 1.00 1.03 H new ATOM 0 HD12 LEU A 24 -1.337 0.056 9.355 1.00 1.03 H new ATOM 0 HD13 LEU A 24 -0.052 -0.336 10.522 1.00 1.03 H new ATOM 0 HD21 LEU A 24 -1.952 -0.923 12.864 1.00 1.11 H new ATOM 0 HD22 LEU A 24 -0.419 -0.021 12.935 1.00 1.11 H new ATOM 0 HD23 LEU A 24 -1.918 0.723 13.539 1.00 1.11 H new ATOM 380 N SER A 25 -0.649 5.238 11.345 1.00 0.77 N ATOM 381 CA SER A 25 0.268 6.368 11.481 1.00 0.86 C ATOM 382 C SER A 25 -0.097 7.327 12.622 1.00 1.04 C ATOM 383 O SER A 25 0.658 8.267 12.878 1.00 1.45 O ATOM 384 CB SER A 25 0.357 7.113 10.143 1.00 0.85 C ATOM 385 OG SER A 25 1.024 6.303 9.192 1.00 1.55 O ATOM 0 H SER A 25 -1.150 5.221 10.457 1.00 0.77 H new ATOM 0 HA SER A 25 1.243 5.960 11.749 1.00 0.86 H new ATOM 0 HB2 SER A 25 -0.643 7.362 9.787 1.00 0.85 H new ATOM 0 HB3 SER A 25 0.892 8.054 10.274 1.00 0.85 H new ATOM 0 HG SER A 25 1.432 5.536 9.645 1.00 1.55 H new ATOM 391 N ASN A 26 -1.241 7.131 13.272 1.00 1.02 N ATOM 392 CA ASN A 26 -1.700 7.897 14.417 1.00 1.22 C ATOM 393 C ASN A 26 -1.742 7.031 15.670 1.00 1.18 C ATOM 394 O ASN A 26 -1.527 7.517 16.779 1.00 1.39 O ATOM 395 CB ASN A 26 -3.085 8.460 14.099 1.00 1.39 C ATOM 396 CG ASN A 26 -3.096 9.297 12.827 1.00 1.61 C ATOM 397 OD1 ASN A 26 -2.108 9.949 12.494 1.00 2.38 O ATOM 398 ND2 ASN A 26 -4.228 9.366 12.146 1.00 1.73 N ATOM 0 H ASN A 26 -1.899 6.401 13.000 1.00 1.02 H new ATOM 0 HA ASN A 26 -1.006 8.714 14.613 1.00 1.22 H new ATOM 0 HB2 ASN A 26 -3.793 7.638 13.995 1.00 1.39 H new ATOM 0 HB3 ASN A 26 -3.426 9.071 14.935 1.00 1.39 H new ATOM 0 HD21 ASN A 26 -4.294 9.969 11.326 1.00 1.73 H new ATOM 0 HD22 ASN A 26 -5.035 8.816 12.441 1.00 1.73 H new ATOM 405 N GLU A 27 -2.045 5.745 15.508 1.00 1.07 N ATOM 406 CA GLU A 27 -2.170 4.784 16.572 1.00 1.15 C ATOM 407 C GLU A 27 -0.748 4.477 17.049 1.00 1.21 C ATOM 408 O GLU A 27 -0.426 4.594 18.231 1.00 1.67 O ATOM 409 CB GLU A 27 -2.827 3.564 15.910 1.00 1.28 C ATOM 410 CG GLU A 27 -3.197 2.438 16.861 1.00 1.95 C ATOM 411 CD GLU A 27 -4.524 2.645 17.554 1.00 2.60 C ATOM 412 OE1 GLU A 27 -5.084 3.755 17.485 1.00 3.11 O ATOM 413 OE2 GLU A 27 -4.991 1.659 18.162 1.00 3.64 O ATOM 0 H GLU A 27 -2.215 5.339 14.588 1.00 1.07 H new ATOM 0 HA GLU A 27 -2.757 5.111 17.430 1.00 1.15 H new ATOM 0 HB2 GLU A 27 -3.728 3.892 15.392 1.00 1.28 H new ATOM 0 HB3 GLU A 27 -2.149 3.171 15.153 1.00 1.28 H new ATOM 0 HG2 GLU A 27 -3.228 1.500 16.306 1.00 1.95 H new ATOM 0 HG3 GLU A 27 -2.415 2.337 17.614 1.00 1.95 H new ATOM 420 N ARG A 28 0.109 4.143 16.096 1.00 0.95 N ATOM 421 CA ARG A 28 1.545 4.037 16.227 1.00 1.07 C ATOM 422 C ARG A 28 2.105 5.450 16.045 1.00 1.20 C ATOM 423 O ARG A 28 1.461 6.286 15.409 1.00 1.38 O ATOM 424 CB ARG A 28 2.077 3.117 15.113 1.00 0.95 C ATOM 425 CG ARG A 28 1.176 1.910 14.777 1.00 1.34 C ATOM 426 CD ARG A 28 1.051 0.930 15.942 1.00 1.85 C ATOM 427 NE ARG A 28 2.342 0.286 16.169 1.00 2.18 N ATOM 428 CZ ARG A 28 2.657 -0.548 17.161 1.00 3.43 C ATOM 429 NH1 ARG A 28 1.754 -0.884 18.078 1.00 4.36 N ATOM 430 NH2 ARG A 28 3.890 -1.028 17.202 1.00 4.48 N ATOM 0 H ARG A 28 -0.206 3.926 15.151 1.00 0.95 H new ATOM 0 HA ARG A 28 1.837 3.624 17.193 1.00 1.07 H new ATOM 0 HB2 ARG A 28 2.216 3.710 14.209 1.00 0.95 H new ATOM 0 HB3 ARG A 28 3.059 2.747 15.406 1.00 0.95 H new ATOM 0 HG2 ARG A 28 0.184 2.267 14.499 1.00 1.34 H new ATOM 0 HG3 ARG A 28 1.581 1.389 13.910 1.00 1.34 H new ATOM 0 HD2 ARG A 28 0.730 1.455 16.842 1.00 1.85 H new ATOM 0 HD3 ARG A 28 0.291 0.180 15.722 1.00 1.85 H new ATOM 0 HE ARG A 28 3.081 0.496 15.498 1.00 2.18 H new ATOM 0 HH11 ARG A 28 0.809 -0.503 18.027 1.00 4.36 H new ATOM 0 HH12 ARG A 28 2.006 -1.523 18.832 1.00 4.36 H new ATOM 0 HH21 ARG A 28 4.567 -0.758 16.488 1.00 4.48 H new ATOM 0 HH22 ARG A 28 4.164 -1.668 17.947 1.00 4.48 H new ATOM 444 N ASP A 29 3.293 5.717 16.587 1.00 1.38 N ATOM 445 CA ASP A 29 3.977 7.004 16.477 1.00 1.70 C ATOM 446 C ASP A 29 5.389 6.819 15.919 1.00 1.23 C ATOM 447 O ASP A 29 6.162 7.772 15.854 1.00 1.86 O ATOM 448 CB ASP A 29 4.017 7.650 17.870 1.00 2.40 C ATOM 449 CG ASP A 29 4.318 9.129 17.839 1.00 3.73 C ATOM 450 OD1 ASP A 29 3.485 9.874 17.284 1.00 4.77 O ATOM 451 OD2 ASP A 29 5.256 9.564 18.538 1.00 4.50 O ATOM 0 H ASP A 29 3.818 5.029 17.127 1.00 1.38 H new ATOM 0 HA ASP A 29 3.439 7.654 15.787 1.00 1.70 H new ATOM 0 HB2 ASP A 29 3.057 7.493 18.362 1.00 2.40 H new ATOM 0 HB3 ASP A 29 4.772 7.146 18.474 1.00 2.40 H new ATOM 456 N ASP A 30 5.756 5.584 15.560 1.00 0.80 N ATOM 457 CA ASP A 30 7.108 5.199 15.185 1.00 1.24 C ATOM 458 C ASP A 30 7.310 5.283 13.673 1.00 1.21 C ATOM 459 O ASP A 30 8.317 5.818 13.209 1.00 1.48 O ATOM 460 CB ASP A 30 7.433 3.800 15.735 1.00 1.91 C ATOM 461 CG ASP A 30 6.737 2.643 15.054 1.00 2.43 C ATOM 462 OD1 ASP A 30 5.594 2.803 14.582 1.00 3.26 O ATOM 463 OD2 ASP A 30 7.302 1.531 15.093 1.00 3.25 O ATOM 0 H ASP A 30 5.096 4.807 15.523 1.00 0.80 H new ATOM 0 HA ASP A 30 7.808 5.904 15.632 1.00 1.24 H new ATOM 0 HB2 ASP A 30 8.509 3.644 15.663 1.00 1.91 H new ATOM 0 HB3 ASP A 30 7.178 3.779 16.794 1.00 1.91 H new ATOM 468 N PHE A 31 6.404 4.705 12.894 1.00 1.04 N ATOM 469 CA PHE A 31 6.450 4.670 11.452 1.00 0.98 C ATOM 470 C PHE A 31 5.680 5.864 10.881 1.00 1.02 C ATOM 471 O PHE A 31 5.044 6.620 11.625 1.00 1.52 O ATOM 472 CB PHE A 31 5.906 3.299 11.021 1.00 0.90 C ATOM 473 CG PHE A 31 4.482 3.250 10.522 1.00 0.85 C ATOM 474 CD1 PHE A 31 3.465 3.223 11.474 1.00 1.71 C ATOM 475 CD2 PHE A 31 4.179 3.320 9.151 1.00 1.93 C ATOM 476 CE1 PHE A 31 2.137 3.319 11.062 1.00 1.99 C ATOM 477 CE2 PHE A 31 2.844 3.458 8.744 1.00 2.13 C ATOM 478 CZ PHE A 31 1.815 3.435 9.698 1.00 1.59 C ATOM 0 H PHE A 31 5.585 4.230 13.274 1.00 1.04 H new ATOM 0 HA PHE A 31 7.462 4.770 11.058 1.00 0.98 H new ATOM 0 HB2 PHE A 31 6.553 2.910 10.235 1.00 0.90 H new ATOM 0 HB3 PHE A 31 5.991 2.620 11.869 1.00 0.90 H new ATOM 0 HD1 PHE A 31 3.704 3.128 12.523 1.00 1.71 H new ATOM 0 HD2 PHE A 31 4.969 3.268 8.416 1.00 1.93 H new ATOM 0 HE1 PHE A 31 1.347 3.304 11.798 1.00 1.99 H new ATOM 0 HE2 PHE A 31 2.608 3.582 7.697 1.00 2.13 H new ATOM 0 HZ PHE A 31 0.783 3.506 9.387 1.00 1.59 H new ATOM 488 N GLN A 32 5.749 6.051 9.564 1.00 0.79 N ATOM 489 CA GLN A 32 4.923 6.990 8.823 1.00 0.73 C ATOM 490 C GLN A 32 4.491 6.309 7.536 1.00 0.61 C ATOM 491 O GLN A 32 5.283 5.578 6.952 1.00 0.97 O ATOM 492 CB GLN A 32 5.735 8.234 8.458 1.00 0.89 C ATOM 493 CG GLN A 32 6.256 8.980 9.688 1.00 1.23 C ATOM 494 CD GLN A 32 6.793 10.354 9.322 1.00 2.57 C ATOM 495 OE1 GLN A 32 8.000 10.573 9.317 1.00 3.86 O ATOM 496 NE2 GLN A 32 5.918 11.291 8.989 1.00 3.61 N ATOM 0 H GLN A 32 6.400 5.537 8.971 1.00 0.79 H new ATOM 0 HA GLN A 32 4.066 7.286 9.429 1.00 0.73 H new ATOM 0 HB2 GLN A 32 6.578 7.942 7.831 1.00 0.89 H new ATOM 0 HB3 GLN A 32 5.115 8.907 7.866 1.00 0.89 H new ATOM 0 HG2 GLN A 32 5.453 9.085 10.418 1.00 1.23 H new ATOM 0 HG3 GLN A 32 7.044 8.395 10.163 1.00 1.23 H new ATOM 0 HE21 GLN A 32 4.919 11.084 9.001 1.00 3.61 H new ATOM 0 HE22 GLN A 32 6.243 12.220 8.720 1.00 3.61 H new ATOM 505 N TYR A 33 3.286 6.565 7.044 1.00 0.59 N ATOM 506 CA TYR A 33 2.888 6.140 5.710 1.00 0.59 C ATOM 507 C TYR A 33 2.981 7.343 4.772 1.00 0.57 C ATOM 508 O TYR A 33 3.059 8.481 5.235 1.00 0.62 O ATOM 509 CB TYR A 33 1.460 5.564 5.760 1.00 0.70 C ATOM 510 CG TYR A 33 0.317 6.502 5.397 1.00 0.62 C ATOM 511 CD1 TYR A 33 -0.189 7.440 6.313 1.00 1.75 C ATOM 512 CD2 TYR A 33 -0.254 6.410 4.121 1.00 1.83 C ATOM 513 CE1 TYR A 33 -1.327 8.194 5.982 1.00 1.78 C ATOM 514 CE2 TYR A 33 -1.434 7.101 3.818 1.00 1.84 C ATOM 515 CZ TYR A 33 -1.981 7.979 4.761 1.00 0.75 C ATOM 516 OH TYR A 33 -3.085 8.703 4.442 1.00 0.95 O ATOM 0 H TYR A 33 2.562 7.070 7.555 1.00 0.59 H new ATOM 0 HA TYR A 33 3.547 5.356 5.337 1.00 0.59 H new ATOM 0 HB2 TYR A 33 1.418 4.706 5.089 1.00 0.70 H new ATOM 0 HB3 TYR A 33 1.282 5.189 6.768 1.00 0.70 H new ATOM 0 HD1 TYR A 33 0.295 7.581 7.268 1.00 1.75 H new ATOM 0 HD2 TYR A 33 0.220 5.801 3.365 1.00 1.83 H new ATOM 0 HE1 TYR A 33 -1.698 8.940 6.669 1.00 1.78 H new ATOM 0 HE2 TYR A 33 -1.918 6.957 2.863 1.00 1.84 H new ATOM 0 HH TYR A 33 -3.222 8.680 3.472 1.00 0.95 H new ATOM 526 N GLN A 34 2.962 7.107 3.463 1.00 0.77 N ATOM 527 CA GLN A 34 2.804 8.161 2.476 1.00 0.78 C ATOM 528 C GLN A 34 2.114 7.568 1.263 1.00 0.68 C ATOM 529 O GLN A 34 2.418 6.452 0.856 1.00 0.72 O ATOM 530 CB GLN A 34 4.165 8.753 2.111 1.00 0.83 C ATOM 531 CG GLN A 34 4.095 9.850 1.041 1.00 1.44 C ATOM 532 CD GLN A 34 3.128 10.970 1.414 1.00 2.99 C ATOM 533 OE1 GLN A 34 3.237 11.558 2.485 1.00 4.08 O ATOM 534 NE2 GLN A 34 2.128 11.236 0.578 1.00 4.08 N ATOM 0 H GLN A 34 3.056 6.175 3.060 1.00 0.77 H new ATOM 0 HA GLN A 34 2.198 8.974 2.876 1.00 0.78 H new ATOM 0 HB2 GLN A 34 4.625 9.164 3.010 1.00 0.83 H new ATOM 0 HB3 GLN A 34 4.816 7.953 1.757 1.00 0.83 H new ATOM 0 HG2 GLN A 34 5.090 10.269 0.889 1.00 1.44 H new ATOM 0 HG3 GLN A 34 3.787 9.409 0.093 1.00 1.44 H new ATOM 0 HE21 GLN A 34 2.057 10.735 -0.308 1.00 4.08 H new ATOM 0 HE22 GLN A 34 1.433 11.941 0.823 1.00 4.08 H new ATOM 543 N TYR A 35 1.170 8.306 0.700 1.00 0.83 N ATOM 544 CA TYR A 35 0.327 7.832 -0.384 1.00 0.84 C ATOM 545 C TYR A 35 0.770 8.456 -1.699 1.00 0.93 C ATOM 546 O TYR A 35 1.112 9.640 -1.734 1.00 1.05 O ATOM 547 CB TYR A 35 -1.134 8.128 -0.046 1.00 0.91 C ATOM 548 CG TYR A 35 -2.160 7.478 -0.953 1.00 0.99 C ATOM 549 CD1 TYR A 35 -2.445 8.073 -2.194 1.00 1.56 C ATOM 550 CD2 TYR A 35 -2.998 6.454 -0.478 1.00 2.47 C ATOM 551 CE1 TYR A 35 -3.517 7.608 -2.966 1.00 1.52 C ATOM 552 CE2 TYR A 35 -3.998 5.916 -1.305 1.00 2.66 C ATOM 553 CZ TYR A 35 -4.234 6.474 -2.563 1.00 1.37 C ATOM 554 OH TYR A 35 -5.362 6.124 -3.244 1.00 1.73 O ATOM 0 H TYR A 35 0.966 9.263 0.988 1.00 0.83 H new ATOM 0 HA TYR A 35 0.425 6.753 -0.504 1.00 0.84 H new ATOM 0 HB2 TYR A 35 -1.324 7.806 0.978 1.00 0.91 H new ATOM 0 HB3 TYR A 35 -1.283 9.207 -0.073 1.00 0.91 H new ATOM 0 HD1 TYR A 35 -1.836 8.890 -2.553 1.00 1.56 H new ATOM 0 HD2 TYR A 35 -2.872 6.079 0.527 1.00 2.47 H new ATOM 0 HE1 TYR A 35 -3.791 8.125 -3.874 1.00 1.52 H new ATOM 0 HE2 TYR A 35 -4.583 5.073 -0.969 1.00 2.66 H new ATOM 0 HH TYR A 35 -5.403 5.149 -3.330 1.00 1.73 H new ATOM 564 N VAL A 36 0.766 7.661 -2.765 1.00 0.98 N ATOM 565 CA VAL A 36 1.395 7.951 -4.040 1.00 1.00 C ATOM 566 C VAL A 36 0.405 7.591 -5.159 1.00 1.04 C ATOM 567 O VAL A 36 0.166 6.410 -5.432 1.00 1.14 O ATOM 568 CB VAL A 36 2.710 7.150 -4.080 1.00 0.90 C ATOM 569 CG1 VAL A 36 3.428 7.329 -5.417 1.00 0.93 C ATOM 570 CG2 VAL A 36 3.671 7.627 -2.984 1.00 1.01 C ATOM 0 H VAL A 36 0.300 6.754 -2.758 1.00 0.98 H new ATOM 0 HA VAL A 36 1.642 9.004 -4.177 1.00 1.00 H new ATOM 0 HB VAL A 36 2.442 6.104 -3.932 1.00 0.90 H new ATOM 0 HG11 VAL A 36 4.352 6.751 -5.414 1.00 0.93 H new ATOM 0 HG12 VAL A 36 2.785 6.980 -6.225 1.00 0.93 H new ATOM 0 HG13 VAL A 36 3.660 8.383 -5.567 1.00 0.93 H new ATOM 0 HG21 VAL A 36 4.593 7.047 -3.031 1.00 1.01 H new ATOM 0 HG22 VAL A 36 3.898 8.683 -3.133 1.00 1.01 H new ATOM 0 HG23 VAL A 36 3.206 7.490 -2.008 1.00 1.01 H new ATOM 580 N ASP A 37 -0.244 8.603 -5.746 1.00 1.27 N ATOM 581 CA ASP A 37 -1.169 8.439 -6.867 1.00 1.34 C ATOM 582 C ASP A 37 -0.394 8.221 -8.164 1.00 1.22 C ATOM 583 O ASP A 37 -0.025 9.174 -8.851 1.00 1.49 O ATOM 584 CB ASP A 37 -2.132 9.624 -7.036 1.00 1.60 C ATOM 585 CG ASP A 37 -3.120 9.777 -5.906 1.00 2.08 C ATOM 586 OD1 ASP A 37 -2.766 10.491 -4.939 1.00 2.39 O ATOM 587 OD2 ASP A 37 -4.236 9.236 -6.012 1.00 3.35 O ATOM 0 H ASP A 37 -0.138 9.573 -5.449 1.00 1.27 H new ATOM 0 HA ASP A 37 -1.776 7.563 -6.639 1.00 1.34 H new ATOM 0 HB2 ASP A 37 -1.551 10.542 -7.124 1.00 1.60 H new ATOM 0 HB3 ASP A 37 -2.680 9.503 -7.970 1.00 1.60 H new ATOM 592 N ILE A 38 -0.227 6.969 -8.569 1.00 1.06 N ATOM 593 CA ILE A 38 0.466 6.631 -9.796 1.00 0.96 C ATOM 594 C ILE A 38 -0.164 7.305 -11.021 1.00 1.19 C ATOM 595 O ILE A 38 0.556 7.728 -11.920 1.00 1.08 O ATOM 596 CB ILE A 38 0.561 5.108 -9.948 1.00 1.16 C ATOM 597 CG1 ILE A 38 -0.799 4.407 -10.090 1.00 1.63 C ATOM 598 CG2 ILE A 38 1.382 4.519 -8.793 1.00 1.27 C ATOM 599 CD1 ILE A 38 -1.053 3.944 -11.528 1.00 1.70 C ATOM 0 H ILE A 38 -0.571 6.160 -8.051 1.00 1.06 H new ATOM 0 HA ILE A 38 1.481 7.024 -9.733 1.00 0.96 H new ATOM 0 HB ILE A 38 1.073 4.918 -10.891 1.00 1.16 H new ATOM 0 HG12 ILE A 38 -0.837 3.548 -9.420 1.00 1.63 H new ATOM 0 HG13 ILE A 38 -1.593 5.088 -9.782 1.00 1.63 H new ATOM 0 HG21 ILE A 38 1.446 3.437 -8.907 1.00 1.27 H new ATOM 0 HG22 ILE A 38 2.385 4.945 -8.806 1.00 1.27 H new ATOM 0 HG23 ILE A 38 0.899 4.756 -7.845 1.00 1.27 H new ATOM 0 HD11 ILE A 38 -2.025 3.453 -11.586 1.00 1.70 H new ATOM 0 HD12 ILE A 38 -1.041 4.806 -12.195 1.00 1.70 H new ATOM 0 HD13 ILE A 38 -0.274 3.243 -11.827 1.00 1.70 H new ATOM 611 N ARG A 39 -1.492 7.453 -11.059 1.00 1.68 N ATOM 612 CA ARG A 39 -2.156 8.153 -12.157 1.00 1.99 C ATOM 613 C ARG A 39 -1.973 9.672 -12.100 1.00 2.10 C ATOM 614 O ARG A 39 -2.210 10.357 -13.093 1.00 2.48 O ATOM 615 CB ARG A 39 -3.637 7.760 -12.317 1.00 2.60 C ATOM 616 CG ARG A 39 -3.958 6.284 -12.042 1.00 3.92 C ATOM 617 CD ARG A 39 -5.443 6.012 -12.350 1.00 4.52 C ATOM 618 NE ARG A 39 -5.884 4.728 -11.778 1.00 5.51 N ATOM 619 CZ ARG A 39 -7.153 4.290 -11.693 1.00 6.58 C ATOM 620 NH1 ARG A 39 -8.166 5.002 -12.183 1.00 7.02 N ATOM 621 NH2 ARG A 39 -7.395 3.124 -11.107 1.00 7.63 N ATOM 0 H ARG A 39 -2.125 7.097 -10.343 1.00 1.68 H new ATOM 0 HA ARG A 39 -1.646 7.813 -13.058 1.00 1.99 H new ATOM 0 HB2 ARG A 39 -4.234 8.376 -11.644 1.00 2.60 H new ATOM 0 HB3 ARG A 39 -3.952 8.000 -13.333 1.00 2.60 H new ATOM 0 HG2 ARG A 39 -3.325 5.643 -12.656 1.00 3.92 H new ATOM 0 HG3 ARG A 39 -3.742 6.042 -11.001 1.00 3.92 H new ATOM 0 HD2 ARG A 39 -6.054 6.820 -11.948 1.00 4.52 H new ATOM 0 HD3 ARG A 39 -5.597 6.003 -13.429 1.00 4.52 H new ATOM 0 HE ARG A 39 -5.158 4.112 -11.412 1.00 5.51 H new ATOM 0 HH11 ARG A 39 -7.988 5.899 -12.634 1.00 7.02 H new ATOM 0 HH12 ARG A 39 -9.120 4.650 -12.107 1.00 7.02 H new ATOM 0 HH21 ARG A 39 -6.624 2.574 -10.729 1.00 7.63 H new ATOM 0 HH22 ARG A 39 -8.352 2.778 -11.035 1.00 7.63 H new ATOM 635 N ALA A 40 -1.546 10.212 -10.962 1.00 2.20 N ATOM 636 CA ALA A 40 -1.101 11.596 -10.891 1.00 2.45 C ATOM 637 C ALA A 40 0.276 11.679 -11.538 1.00 2.29 C ATOM 638 O ALA A 40 0.517 12.520 -12.400 1.00 2.56 O ATOM 639 CB ALA A 40 -1.090 12.116 -9.451 1.00 2.53 C ATOM 0 H ALA A 40 -1.500 9.709 -10.076 1.00 2.20 H new ATOM 0 HA ALA A 40 -1.798 12.238 -11.429 1.00 2.45 H new ATOM 0 HB1 ALA A 40 -0.752 13.152 -9.441 1.00 2.53 H new ATOM 0 HB2 ALA A 40 -2.096 12.058 -9.036 1.00 2.53 H new ATOM 0 HB3 ALA A 40 -0.414 11.508 -8.850 1.00 2.53 H new ATOM 645 N GLU A 41 1.185 10.777 -11.167 1.00 1.91 N ATOM 646 CA GLU A 41 2.566 10.834 -11.624 1.00 1.95 C ATOM 647 C GLU A 41 2.702 10.418 -13.088 1.00 1.88 C ATOM 648 O GLU A 41 3.609 10.885 -13.779 1.00 2.17 O ATOM 649 CB GLU A 41 3.402 9.879 -10.768 1.00 1.77 C ATOM 650 CG GLU A 41 3.669 10.468 -9.381 1.00 2.28 C ATOM 651 CD GLU A 41 3.353 9.519 -8.247 1.00 3.32 C ATOM 652 OE1 GLU A 41 3.654 8.317 -8.388 1.00 4.12 O ATOM 653 OE2 GLU A 41 2.914 10.056 -7.207 1.00 4.19 O ATOM 0 H GLU A 41 0.983 9.993 -10.546 1.00 1.91 H new ATOM 0 HA GLU A 41 2.911 11.864 -11.530 1.00 1.95 H new ATOM 0 HB2 GLU A 41 2.882 8.927 -10.667 1.00 1.77 H new ATOM 0 HB3 GLU A 41 4.349 9.674 -11.267 1.00 1.77 H new ATOM 0 HG2 GLU A 41 4.717 10.762 -9.316 1.00 2.28 H new ATOM 0 HG3 GLU A 41 3.076 11.375 -9.261 1.00 2.28 H new ATOM 660 N GLY A 42 1.837 9.527 -13.545 1.00 1.67 N ATOM 661 CA GLY A 42 2.025 8.794 -14.780 1.00 1.46 C ATOM 662 C GLY A 42 3.050 7.689 -14.555 1.00 1.18 C ATOM 663 O GLY A 42 3.922 7.450 -15.388 1.00 1.50 O ATOM 0 H GLY A 42 0.972 9.291 -13.058 1.00 1.67 H new ATOM 0 HA2 GLY A 42 1.078 8.367 -15.111 1.00 1.46 H new ATOM 0 HA3 GLY A 42 2.364 9.466 -15.568 1.00 1.46 H new ATOM 667 N ILE A 43 2.921 7.010 -13.419 1.00 1.07 N ATOM 668 CA ILE A 43 3.513 5.713 -13.142 1.00 1.11 C ATOM 669 C ILE A 43 2.461 4.698 -13.601 1.00 1.03 C ATOM 670 O ILE A 43 1.267 4.990 -13.498 1.00 1.05 O ATOM 671 CB ILE A 43 3.800 5.639 -11.632 1.00 1.23 C ATOM 672 CG1 ILE A 43 4.994 6.516 -11.223 1.00 1.74 C ATOM 673 CG2 ILE A 43 3.978 4.199 -11.152 1.00 1.32 C ATOM 674 CD1 ILE A 43 6.360 5.899 -11.526 1.00 1.55 C ATOM 0 H ILE A 43 2.376 7.368 -12.634 1.00 1.07 H new ATOM 0 HA ILE A 43 4.457 5.523 -13.653 1.00 1.11 H new ATOM 0 HB ILE A 43 2.919 6.042 -11.132 1.00 1.23 H new ATOM 0 HG12 ILE A 43 4.919 7.474 -11.737 1.00 1.74 H new ATOM 0 HG13 ILE A 43 4.930 6.721 -10.154 1.00 1.74 H new ATOM 0 HG21 ILE A 43 4.179 4.195 -10.081 1.00 1.32 H new ATOM 0 HG22 ILE A 43 3.068 3.633 -11.353 1.00 1.32 H new ATOM 0 HG23 ILE A 43 4.814 3.740 -11.680 1.00 1.32 H new ATOM 0 HD11 ILE A 43 7.147 6.582 -11.206 1.00 1.55 H new ATOM 0 HD12 ILE A 43 6.460 4.955 -10.990 1.00 1.55 H new ATOM 0 HD13 ILE A 43 6.449 5.719 -12.597 1.00 1.55 H new ATOM 686 N THR A 44 2.859 3.564 -14.172 1.00 1.09 N ATOM 687 CA THR A 44 1.944 2.648 -14.839 1.00 1.14 C ATOM 688 C THR A 44 1.649 1.424 -13.963 1.00 1.01 C ATOM 689 O THR A 44 2.334 1.165 -12.975 1.00 0.94 O ATOM 690 CB THR A 44 2.558 2.263 -16.193 1.00 1.34 C ATOM 691 OG1 THR A 44 3.779 1.598 -15.959 1.00 1.41 O ATOM 692 CG2 THR A 44 2.847 3.502 -17.045 1.00 1.61 C ATOM 0 H THR A 44 3.831 3.255 -14.184 1.00 1.09 H new ATOM 0 HA THR A 44 0.982 3.131 -15.009 1.00 1.14 H new ATOM 0 HB THR A 44 1.850 1.627 -16.724 1.00 1.34 H new ATOM 0 HG1 THR A 44 4.183 1.344 -16.815 1.00 1.41 H new ATOM 0 HG21 THR A 44 3.281 3.196 -17.997 1.00 1.61 H new ATOM 0 HG22 THR A 44 1.918 4.043 -17.227 1.00 1.61 H new ATOM 0 HG23 THR A 44 3.548 4.150 -16.519 1.00 1.61 H new ATOM 700 N LYS A 45 0.633 0.636 -14.324 1.00 1.08 N ATOM 701 CA LYS A 45 0.399 -0.653 -13.705 1.00 1.08 C ATOM 702 C LYS A 45 1.582 -1.581 -13.960 1.00 1.10 C ATOM 703 O LYS A 45 1.970 -2.366 -13.097 1.00 1.01 O ATOM 704 CB LYS A 45 -0.890 -1.241 -14.277 1.00 1.27 C ATOM 705 CG LYS A 45 -1.290 -2.433 -13.413 1.00 1.57 C ATOM 706 CD LYS A 45 -2.656 -3.032 -13.749 1.00 1.77 C ATOM 707 CE LYS A 45 -2.600 -4.292 -14.627 1.00 3.31 C ATOM 708 NZ LYS A 45 -2.348 -4.014 -16.053 1.00 4.41 N ATOM 0 H LYS A 45 -0.041 0.879 -15.050 1.00 1.08 H new ATOM 0 HA LYS A 45 0.295 -0.537 -12.626 1.00 1.08 H new ATOM 0 HB2 LYS A 45 -1.681 -0.491 -14.282 1.00 1.27 H new ATOM 0 HB3 LYS A 45 -0.740 -1.553 -15.311 1.00 1.27 H new ATOM 0 HG2 LYS A 45 -0.532 -3.210 -13.515 1.00 1.57 H new ATOM 0 HG3 LYS A 45 -1.291 -2.124 -12.368 1.00 1.57 H new ATOM 0 HD2 LYS A 45 -3.171 -3.275 -12.819 1.00 1.77 H new ATOM 0 HD3 LYS A 45 -3.255 -2.276 -14.257 1.00 1.77 H new ATOM 0 HE2 LYS A 45 -1.817 -4.951 -14.251 1.00 3.31 H new ATOM 0 HE3 LYS A 45 -3.543 -4.831 -14.533 1.00 3.31 H new ATOM 0 HZ1 LYS A 45 -2.324 -4.909 -16.582 1.00 4.41 H new ATOM 0 HZ2 LYS A 45 -3.107 -3.410 -16.428 1.00 4.41 H new ATOM 0 HZ3 LYS A 45 -1.435 -3.526 -16.156 1.00 4.41 H new ATOM 722 N GLU A 46 2.118 -1.501 -15.170 1.00 1.28 N ATOM 723 CA GLU A 46 3.334 -2.197 -15.540 1.00 1.44 C ATOM 724 C GLU A 46 4.424 -1.857 -14.519 1.00 1.30 C ATOM 725 O GLU A 46 4.895 -2.751 -13.822 1.00 1.23 O ATOM 726 CB GLU A 46 3.688 -1.826 -16.990 1.00 1.74 C ATOM 727 CG GLU A 46 5.110 -2.218 -17.392 1.00 2.92 C ATOM 728 CD GLU A 46 5.313 -1.994 -18.869 1.00 3.04 C ATOM 729 OE1 GLU A 46 5.515 -0.827 -19.265 1.00 3.95 O ATOM 730 OE2 GLU A 46 5.243 -2.979 -19.633 1.00 3.02 O ATOM 0 H GLU A 46 1.715 -0.946 -15.925 1.00 1.28 H new ATOM 0 HA GLU A 46 3.216 -3.280 -15.516 1.00 1.44 H new ATOM 0 HB2 GLU A 46 2.982 -2.312 -17.663 1.00 1.74 H new ATOM 0 HB3 GLU A 46 3.565 -0.751 -17.121 1.00 1.74 H new ATOM 0 HG2 GLU A 46 5.831 -1.630 -16.825 1.00 2.92 H new ATOM 0 HG3 GLU A 46 5.290 -3.265 -17.147 1.00 2.92 H new ATOM 737 N ASP A 47 4.767 -0.571 -14.398 1.00 1.31 N ATOM 738 CA ASP A 47 5.782 -0.072 -13.475 1.00 1.31 C ATOM 739 C ASP A 47 5.561 -0.655 -12.089 1.00 1.10 C ATOM 740 O ASP A 47 6.448 -1.290 -11.528 1.00 1.12 O ATOM 741 CB ASP A 47 5.709 1.455 -13.404 1.00 1.36 C ATOM 742 CG ASP A 47 6.679 2.031 -12.391 1.00 1.55 C ATOM 743 OD1 ASP A 47 6.338 2.094 -11.189 1.00 2.31 O ATOM 744 OD2 ASP A 47 7.760 2.464 -12.836 1.00 1.88 O ATOM 0 H ASP A 47 4.334 0.167 -14.954 1.00 1.31 H new ATOM 0 HA ASP A 47 6.765 -0.373 -13.836 1.00 1.31 H new ATOM 0 HB2 ASP A 47 5.924 1.873 -14.388 1.00 1.36 H new ATOM 0 HB3 ASP A 47 4.694 1.756 -13.144 1.00 1.36 H new ATOM 749 N LEU A 48 4.349 -0.471 -11.569 1.00 0.93 N ATOM 750 CA LEU A 48 3.915 -1.016 -10.302 1.00 0.77 C ATOM 751 C LEU A 48 4.285 -2.492 -10.162 1.00 0.74 C ATOM 752 O LEU A 48 4.982 -2.872 -9.222 1.00 0.75 O ATOM 753 CB LEU A 48 2.394 -0.829 -10.199 1.00 0.68 C ATOM 754 CG LEU A 48 1.904 0.530 -9.697 1.00 0.79 C ATOM 755 CD1 LEU A 48 0.368 0.542 -9.714 1.00 0.98 C ATOM 756 CD2 LEU A 48 2.361 0.784 -8.265 1.00 1.08 C ATOM 0 H LEU A 48 3.628 0.078 -12.037 1.00 0.93 H new ATOM 0 HA LEU A 48 4.420 -0.489 -9.493 1.00 0.77 H new ATOM 0 HB2 LEU A 48 1.962 -1.004 -11.184 1.00 0.68 H new ATOM 0 HB3 LEU A 48 2.000 -1.599 -9.536 1.00 0.68 H new ATOM 0 HG LEU A 48 2.315 1.303 -10.346 1.00 0.79 H new ATOM 0 HD11 LEU A 48 0.008 1.507 -9.358 1.00 0.98 H new ATOM 0 HD12 LEU A 48 0.014 0.376 -10.731 1.00 0.98 H new ATOM 0 HD13 LEU A 48 -0.009 -0.248 -9.065 1.00 0.98 H new ATOM 0 HD21 LEU A 48 1.998 1.757 -7.935 1.00 1.08 H new ATOM 0 HD22 LEU A 48 1.962 0.007 -7.613 1.00 1.08 H new ATOM 0 HD23 LEU A 48 3.450 0.769 -8.223 1.00 1.08 H new ATOM 768 N GLN A 49 3.824 -3.336 -11.081 1.00 0.75 N ATOM 769 CA GLN A 49 4.039 -4.764 -10.988 1.00 0.74 C ATOM 770 C GLN A 49 5.539 -5.083 -11.096 1.00 0.76 C ATOM 771 O GLN A 49 6.060 -5.955 -10.394 1.00 0.76 O ATOM 772 CB GLN A 49 3.113 -5.433 -12.014 1.00 0.78 C ATOM 773 CG GLN A 49 3.788 -6.344 -13.035 1.00 0.81 C ATOM 774 CD GLN A 49 2.792 -6.889 -14.058 1.00 0.92 C ATOM 775 OE1 GLN A 49 3.158 -7.194 -15.190 1.00 1.24 O ATOM 776 NE2 GLN A 49 1.513 -7.009 -13.717 1.00 1.05 N ATOM 0 H GLN A 49 3.295 -3.045 -11.903 1.00 0.75 H new ATOM 0 HA GLN A 49 3.768 -5.179 -10.017 1.00 0.74 H new ATOM 0 HB2 GLN A 49 2.367 -6.017 -11.474 1.00 0.78 H new ATOM 0 HB3 GLN A 49 2.577 -4.652 -12.553 1.00 0.78 H new ATOM 0 HG2 GLN A 49 4.573 -5.792 -13.551 1.00 0.81 H new ATOM 0 HG3 GLN A 49 4.269 -7.175 -12.519 1.00 0.81 H new ATOM 0 HE21 GLN A 49 1.210 -6.755 -12.777 1.00 1.05 H new ATOM 0 HE22 GLN A 49 0.835 -7.355 -14.396 1.00 1.05 H new ATOM 785 N GLN A 50 6.251 -4.346 -11.951 1.00 0.82 N ATOM 786 CA GLN A 50 7.687 -4.481 -12.127 1.00 0.89 C ATOM 787 C GLN A 50 8.378 -4.263 -10.782 1.00 0.83 C ATOM 788 O GLN A 50 9.194 -5.081 -10.353 1.00 0.87 O ATOM 789 CB GLN A 50 8.209 -3.470 -13.166 1.00 1.16 C ATOM 790 CG GLN A 50 9.187 -4.121 -14.152 1.00 1.25 C ATOM 791 CD GLN A 50 8.479 -4.932 -15.233 1.00 1.77 C ATOM 792 OE1 GLN A 50 7.255 -4.982 -15.307 1.00 2.80 O ATOM 793 NE2 GLN A 50 9.237 -5.583 -16.103 1.00 2.83 N ATOM 0 H GLN A 50 5.834 -3.630 -12.546 1.00 0.82 H new ATOM 0 HA GLN A 50 7.909 -5.483 -12.495 1.00 0.89 H new ATOM 0 HB2 GLN A 50 7.368 -3.046 -13.715 1.00 1.16 H new ATOM 0 HB3 GLN A 50 8.704 -2.645 -12.654 1.00 1.16 H new ATOM 0 HG2 GLN A 50 9.792 -3.346 -14.622 1.00 1.25 H new ATOM 0 HG3 GLN A 50 9.870 -4.771 -13.605 1.00 1.25 H new ATOM 0 HE21 GLN A 50 10.253 -5.534 -16.031 1.00 2.83 H new ATOM 0 HE22 GLN A 50 8.804 -6.133 -16.845 1.00 2.83 H new ATOM 802 N LYS A 51 8.043 -3.150 -10.135 1.00 0.86 N ATOM 803 CA LYS A 51 8.605 -2.688 -8.879 1.00 0.95 C ATOM 804 C LYS A 51 8.317 -3.731 -7.814 1.00 0.89 C ATOM 805 O LYS A 51 9.215 -4.203 -7.125 1.00 0.99 O ATOM 806 CB LYS A 51 7.925 -1.353 -8.567 1.00 1.01 C ATOM 807 CG LYS A 51 8.663 -0.410 -7.611 1.00 1.67 C ATOM 808 CD LYS A 51 7.829 0.860 -7.345 1.00 1.84 C ATOM 809 CE LYS A 51 7.284 1.394 -8.680 1.00 2.15 C ATOM 810 NZ LYS A 51 6.585 2.688 -8.628 1.00 3.50 N ATOM 0 H LYS A 51 7.332 -2.514 -10.497 1.00 0.86 H new ATOM 0 HA LYS A 51 9.685 -2.547 -8.921 1.00 0.95 H new ATOM 0 HB2 LYS A 51 7.764 -0.826 -9.507 1.00 1.01 H new ATOM 0 HB3 LYS A 51 6.942 -1.563 -8.146 1.00 1.01 H new ATOM 0 HG2 LYS A 51 8.864 -0.922 -6.670 1.00 1.67 H new ATOM 0 HG3 LYS A 51 9.628 -0.135 -8.037 1.00 1.67 H new ATOM 0 HD2 LYS A 51 7.006 0.634 -6.667 1.00 1.84 H new ATOM 0 HD3 LYS A 51 8.443 1.618 -6.860 1.00 1.84 H new ATOM 0 HE2 LYS A 51 8.116 1.483 -9.378 1.00 2.15 H new ATOM 0 HE3 LYS A 51 6.600 0.652 -9.092 1.00 2.15 H new ATOM 0 HZ1 LYS A 51 6.076 2.844 -9.521 1.00 3.50 H new ATOM 0 HZ2 LYS A 51 5.907 2.685 -7.839 1.00 3.50 H new ATOM 0 HZ3 LYS A 51 7.277 3.451 -8.487 1.00 3.50 H new ATOM 824 N ALA A 52 7.049 -4.113 -7.714 1.00 0.80 N ATOM 825 CA ALA A 52 6.587 -5.147 -6.807 1.00 0.81 C ATOM 826 C ALA A 52 7.394 -6.431 -6.977 1.00 0.83 C ATOM 827 O ALA A 52 7.667 -7.144 -6.008 1.00 0.99 O ATOM 828 CB ALA A 52 5.099 -5.417 -7.051 1.00 0.75 C ATOM 0 H ALA A 52 6.302 -3.702 -8.274 1.00 0.80 H new ATOM 0 HA ALA A 52 6.729 -4.799 -5.784 1.00 0.81 H new ATOM 0 HB1 ALA A 52 4.754 -6.194 -6.369 1.00 0.75 H new ATOM 0 HB2 ALA A 52 4.530 -4.503 -6.878 1.00 0.75 H new ATOM 0 HB3 ALA A 52 4.953 -5.746 -8.080 1.00 0.75 H new ATOM 834 N GLY A 53 7.751 -6.740 -8.220 1.00 0.78 N ATOM 835 CA GLY A 53 8.297 -8.034 -8.565 1.00 0.80 C ATOM 836 C GLY A 53 7.194 -9.078 -8.473 1.00 0.83 C ATOM 837 O GLY A 53 7.473 -10.242 -8.195 1.00 1.03 O ATOM 0 H GLY A 53 7.668 -6.098 -9.009 1.00 0.78 H new ATOM 0 HA2 GLY A 53 8.711 -8.011 -9.573 1.00 0.80 H new ATOM 0 HA3 GLY A 53 9.114 -8.290 -7.891 1.00 0.80 H new ATOM 841 N LYS A 54 5.943 -8.664 -8.685 1.00 0.81 N ATOM 842 CA LYS A 54 4.787 -9.539 -8.697 1.00 0.90 C ATOM 843 C LYS A 54 3.931 -9.102 -9.879 1.00 0.86 C ATOM 844 O LYS A 54 3.758 -7.899 -10.072 1.00 0.75 O ATOM 845 CB LYS A 54 3.974 -9.423 -7.397 1.00 1.08 C ATOM 846 CG LYS A 54 4.773 -9.831 -6.151 1.00 1.92 C ATOM 847 CD LYS A 54 3.858 -10.262 -4.994 1.00 1.73 C ATOM 848 CE LYS A 54 3.327 -11.695 -5.148 1.00 2.26 C ATOM 849 NZ LYS A 54 2.220 -11.986 -4.215 1.00 2.43 N ATOM 0 H LYS A 54 5.709 -7.686 -8.856 1.00 0.81 H new ATOM 0 HA LYS A 54 5.103 -10.579 -8.781 1.00 0.90 H new ATOM 0 HB2 LYS A 54 3.630 -8.395 -7.281 1.00 1.08 H new ATOM 0 HB3 LYS A 54 3.086 -10.050 -7.473 1.00 1.08 H new ATOM 0 HG2 LYS A 54 5.446 -10.650 -6.405 1.00 1.92 H new ATOM 0 HG3 LYS A 54 5.394 -8.995 -5.829 1.00 1.92 H new ATOM 0 HD2 LYS A 54 4.407 -10.183 -4.056 1.00 1.73 H new ATOM 0 HD3 LYS A 54 3.015 -9.574 -4.929 1.00 1.73 H new ATOM 0 HE2 LYS A 54 2.985 -11.845 -6.172 1.00 2.26 H new ATOM 0 HE3 LYS A 54 4.139 -12.401 -4.976 1.00 2.26 H new ATOM 0 HZ1 LYS A 54 1.895 -12.964 -4.356 1.00 2.43 H new ATOM 0 HZ2 LYS A 54 2.551 -11.869 -3.236 1.00 2.43 H new ATOM 0 HZ3 LYS A 54 1.433 -11.330 -4.395 1.00 2.43 H new ATOM 863 N PRO A 55 3.373 -10.032 -10.661 1.00 1.05 N ATOM 864 CA PRO A 55 2.433 -9.704 -11.713 1.00 1.11 C ATOM 865 C PRO A 55 1.081 -9.342 -11.087 1.00 1.03 C ATOM 866 O PRO A 55 0.109 -10.085 -11.234 1.00 1.27 O ATOM 867 CB PRO A 55 2.383 -10.948 -12.601 1.00 1.44 C ATOM 868 CG PRO A 55 2.635 -12.074 -11.602 1.00 1.50 C ATOM 869 CD PRO A 55 3.605 -11.463 -10.595 1.00 1.30 C ATOM 0 HA PRO A 55 2.719 -8.838 -12.310 1.00 1.11 H new ATOM 0 HB2 PRO A 55 1.419 -11.054 -13.098 1.00 1.44 H new ATOM 0 HB3 PRO A 55 3.143 -10.920 -13.382 1.00 1.44 H new ATOM 0 HG2 PRO A 55 1.711 -12.396 -11.122 1.00 1.50 H new ATOM 0 HG3 PRO A 55 3.064 -12.950 -12.088 1.00 1.50 H new ATOM 0 HD2 PRO A 55 3.422 -11.845 -9.591 1.00 1.30 H new ATOM 0 HD3 PRO A 55 4.638 -11.706 -10.846 1.00 1.30 H new ATOM 877 N VAL A 56 1.020 -8.222 -10.363 1.00 0.84 N ATOM 878 CA VAL A 56 -0.215 -7.722 -9.779 1.00 0.83 C ATOM 879 C VAL A 56 -0.936 -6.835 -10.783 1.00 0.87 C ATOM 880 O VAL A 56 -0.310 -6.143 -11.593 1.00 1.10 O ATOM 881 CB VAL A 56 0.015 -7.015 -8.429 1.00 0.85 C ATOM 882 CG1 VAL A 56 1.280 -6.150 -8.394 1.00 0.92 C ATOM 883 CG2 VAL A 56 -1.225 -6.278 -7.914 1.00 1.34 C ATOM 0 H VAL A 56 1.833 -7.638 -10.168 1.00 0.84 H new ATOM 0 HA VAL A 56 -0.855 -8.575 -9.553 1.00 0.83 H new ATOM 0 HB VAL A 56 0.199 -7.821 -7.719 1.00 0.85 H new ATOM 0 HG11 VAL A 56 1.375 -5.684 -7.413 1.00 0.92 H new ATOM 0 HG12 VAL A 56 2.153 -6.774 -8.586 1.00 0.92 H new ATOM 0 HG13 VAL A 56 1.212 -5.376 -9.158 1.00 0.92 H new ATOM 0 HG21 VAL A 56 -0.996 -5.802 -6.961 1.00 1.34 H new ATOM 0 HG22 VAL A 56 -1.523 -5.518 -8.636 1.00 1.34 H new ATOM 0 HG23 VAL A 56 -2.040 -6.989 -7.778 1.00 1.34 H new ATOM 893 N GLU A 57 -2.263 -6.863 -10.690 1.00 0.87 N ATOM 894 CA GLU A 57 -3.208 -6.070 -11.427 1.00 1.00 C ATOM 895 C GLU A 57 -4.014 -5.137 -10.510 1.00 1.00 C ATOM 896 O GLU A 57 -4.519 -4.110 -10.964 1.00 1.49 O ATOM 897 CB GLU A 57 -4.139 -7.064 -12.105 1.00 1.23 C ATOM 898 CG GLU A 57 -3.446 -7.840 -13.230 1.00 2.14 C ATOM 899 CD GLU A 57 -4.469 -8.388 -14.200 1.00 2.35 C ATOM 900 OE1 GLU A 57 -5.049 -9.454 -13.900 1.00 3.11 O ATOM 901 OE2 GLU A 57 -4.663 -7.751 -15.256 1.00 2.84 O ATOM 0 H GLU A 57 -2.730 -7.497 -10.041 1.00 0.87 H new ATOM 0 HA GLU A 57 -2.693 -5.427 -12.141 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -4.518 -7.767 -11.363 1.00 1.23 H new ATOM 0 HB3 GLU A 57 -5.000 -6.533 -12.511 1.00 1.23 H new ATOM 0 HG2 GLU A 57 -2.750 -7.187 -13.756 1.00 2.14 H new ATOM 0 HG3 GLU A 57 -2.860 -8.657 -12.809 1.00 2.14 H new ATOM 908 N THR A 58 -4.192 -5.519 -9.250 1.00 0.86 N ATOM 909 CA THR A 58 -5.061 -4.860 -8.294 1.00 0.86 C ATOM 910 C THR A 58 -4.344 -3.684 -7.627 1.00 0.90 C ATOM 911 O THR A 58 -3.117 -3.701 -7.495 1.00 1.08 O ATOM 912 CB THR A 58 -5.589 -5.969 -7.358 1.00 0.90 C ATOM 913 OG1 THR A 58 -4.694 -7.076 -7.314 1.00 1.37 O ATOM 914 CG2 THR A 58 -6.881 -6.425 -7.994 1.00 1.07 C ATOM 0 H THR A 58 -3.714 -6.329 -8.856 1.00 0.86 H new ATOM 0 HA THR A 58 -5.926 -4.378 -8.750 1.00 0.86 H new ATOM 0 HB THR A 58 -5.707 -5.600 -6.339 1.00 0.90 H new ATOM 0 HG1 THR A 58 -5.052 -7.762 -6.713 1.00 1.37 H new ATOM 0 HG21 THR A 58 -7.325 -7.216 -7.390 1.00 1.07 H new ATOM 0 HG22 THR A 58 -7.573 -5.585 -8.056 1.00 1.07 H new ATOM 0 HG23 THR A 58 -6.679 -6.804 -8.996 1.00 1.07 H new ATOM 922 N VAL A 59 -5.100 -2.626 -7.313 1.00 0.91 N ATOM 923 CA VAL A 59 -4.586 -1.366 -6.788 1.00 0.89 C ATOM 924 C VAL A 59 -5.444 -0.988 -5.573 1.00 0.96 C ATOM 925 O VAL A 59 -6.625 -1.323 -5.594 1.00 1.33 O ATOM 926 CB VAL A 59 -4.609 -0.281 -7.886 1.00 1.23 C ATOM 927 CG1 VAL A 59 -4.020 -0.834 -9.195 1.00 1.53 C ATOM 928 CG2 VAL A 59 -6.004 0.320 -8.133 1.00 1.49 C ATOM 0 H VAL A 59 -6.114 -2.628 -7.422 1.00 0.91 H new ATOM 0 HA VAL A 59 -3.546 -1.462 -6.474 1.00 0.89 H new ATOM 0 HB VAL A 59 -3.989 0.538 -7.520 1.00 1.23 H new ATOM 0 HG11 VAL A 59 -4.043 -0.058 -9.960 1.00 1.53 H new ATOM 0 HG12 VAL A 59 -2.990 -1.148 -9.026 1.00 1.53 H new ATOM 0 HG13 VAL A 59 -4.610 -1.688 -9.527 1.00 1.53 H new ATOM 0 HG21 VAL A 59 -5.941 1.075 -8.917 1.00 1.49 H new ATOM 0 HG22 VAL A 59 -6.690 -0.468 -8.442 1.00 1.49 H new ATOM 0 HG23 VAL A 59 -6.370 0.780 -7.215 1.00 1.49 H new ATOM 938 N PRO A 60 -4.903 -0.316 -4.541 1.00 0.79 N ATOM 939 CA PRO A 60 -3.538 0.156 -4.470 1.00 0.61 C ATOM 940 C PRO A 60 -2.618 -1.005 -4.121 1.00 0.42 C ATOM 941 O PRO A 60 -3.071 -2.115 -3.854 1.00 0.55 O ATOM 942 CB PRO A 60 -3.539 1.199 -3.350 1.00 0.65 C ATOM 943 CG PRO A 60 -4.529 0.589 -2.358 1.00 0.69 C ATOM 944 CD PRO A 60 -5.577 -0.030 -3.283 1.00 0.93 C ATOM 0 HA PRO A 60 -3.187 0.577 -5.412 1.00 0.61 H new ATOM 0 HB2 PRO A 60 -2.549 1.330 -2.912 1.00 0.65 H new ATOM 0 HB3 PRO A 60 -3.864 2.178 -3.703 1.00 0.65 H new ATOM 0 HG2 PRO A 60 -4.057 -0.158 -1.720 1.00 0.69 H new ATOM 0 HG3 PRO A 60 -4.962 1.342 -1.700 1.00 0.69 H new ATOM 0 HD2 PRO A 60 -5.988 -0.941 -2.848 1.00 0.93 H new ATOM 0 HD3 PRO A 60 -6.411 0.655 -3.437 1.00 0.93 H new ATOM 952 N GLN A 61 -1.324 -0.736 -4.123 1.00 0.49 N ATOM 953 CA GLN A 61 -0.302 -1.632 -3.656 1.00 0.60 C ATOM 954 C GLN A 61 0.405 -0.884 -2.543 1.00 0.61 C ATOM 955 O GLN A 61 1.088 0.107 -2.800 1.00 0.74 O ATOM 956 CB GLN A 61 0.642 -1.946 -4.811 1.00 0.83 C ATOM 957 CG GLN A 61 -0.036 -2.911 -5.789 1.00 1.16 C ATOM 958 CD GLN A 61 0.679 -2.963 -7.130 1.00 1.71 C ATOM 959 OE1 GLN A 61 1.843 -2.590 -7.248 1.00 3.10 O ATOM 960 NE2 GLN A 61 -0.036 -3.406 -8.152 1.00 1.88 N ATOM 0 H GLN A 61 -0.951 0.149 -4.465 1.00 0.49 H new ATOM 0 HA GLN A 61 -0.693 -2.582 -3.292 1.00 0.60 H new ATOM 0 HB2 GLN A 61 0.919 -1.026 -5.327 1.00 0.83 H new ATOM 0 HB3 GLN A 61 1.563 -2.387 -4.430 1.00 0.83 H new ATOM 0 HG2 GLN A 61 -0.061 -3.910 -5.353 1.00 1.16 H new ATOM 0 HG3 GLN A 61 -1.071 -2.604 -5.942 1.00 1.16 H new ATOM 0 HE21 GLN A 61 -1.000 -3.706 -8.008 1.00 1.88 H new ATOM 0 HE22 GLN A 61 0.377 -3.447 -9.084 1.00 1.88 H new ATOM 969 N ILE A 62 0.272 -1.353 -1.309 1.00 0.57 N ATOM 970 CA ILE A 62 1.090 -0.813 -0.248 1.00 0.54 C ATOM 971 C ILE A 62 2.405 -1.564 -0.343 1.00 0.51 C ATOM 972 O ILE A 62 2.408 -2.789 -0.473 1.00 0.58 O ATOM 973 CB ILE A 62 0.408 -0.947 1.126 1.00 0.58 C ATOM 974 CG1 ILE A 62 -0.452 0.298 1.419 1.00 0.60 C ATOM 975 CG2 ILE A 62 1.428 -1.120 2.255 1.00 0.70 C ATOM 976 CD1 ILE A 62 -1.913 -0.087 1.464 1.00 0.53 C ATOM 0 H ILE A 62 -0.379 -2.087 -1.029 1.00 0.57 H new ATOM 0 HA ILE A 62 1.250 0.260 -0.355 1.00 0.54 H new ATOM 0 HB ILE A 62 -0.220 -1.837 1.086 1.00 0.58 H new ATOM 0 HG12 ILE A 62 -0.154 0.742 2.369 1.00 0.60 H new ATOM 0 HG13 ILE A 62 -0.289 1.053 0.650 1.00 0.60 H new ATOM 0 HG21 ILE A 62 0.905 -1.211 3.207 1.00 0.70 H new ATOM 0 HG22 ILE A 62 2.018 -2.019 2.078 1.00 0.70 H new ATOM 0 HG23 ILE A 62 2.088 -0.253 2.285 1.00 0.70 H new ATOM 0 HD11 ILE A 62 -2.516 0.797 1.671 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -2.208 -0.510 0.504 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -2.070 -0.826 2.250 1.00 0.53 H new ATOM 988 N PHE A 63 3.504 -0.816 -0.333 1.00 0.46 N ATOM 989 CA PHE A 63 4.842 -1.340 -0.187 1.00 0.48 C ATOM 990 C PHE A 63 5.257 -0.988 1.233 1.00 0.52 C ATOM 991 O PHE A 63 5.347 0.195 1.564 1.00 0.64 O ATOM 992 CB PHE A 63 5.808 -0.720 -1.203 1.00 0.51 C ATOM 993 CG PHE A 63 5.710 -1.235 -2.632 1.00 0.56 C ATOM 994 CD1 PHE A 63 4.500 -1.159 -3.350 1.00 1.95 C ATOM 995 CD2 PHE A 63 6.867 -1.714 -3.278 1.00 1.94 C ATOM 996 CE1 PHE A 63 4.463 -1.503 -4.713 1.00 1.93 C ATOM 997 CE2 PHE A 63 6.825 -2.071 -4.637 1.00 1.95 C ATOM 998 CZ PHE A 63 5.625 -1.954 -5.358 1.00 0.58 C ATOM 0 H PHE A 63 3.479 0.199 -0.430 1.00 0.46 H new ATOM 0 HA PHE A 63 4.867 -2.414 -0.370 1.00 0.48 H new ATOM 0 HB2 PHE A 63 5.644 0.358 -1.216 1.00 0.51 H new ATOM 0 HB3 PHE A 63 6.826 -0.884 -0.850 1.00 0.51 H new ATOM 0 HD1 PHE A 63 3.598 -0.835 -2.852 1.00 1.95 H new ATOM 0 HD2 PHE A 63 7.791 -1.807 -2.726 1.00 1.94 H new ATOM 0 HE1 PHE A 63 3.538 -1.420 -5.265 1.00 1.93 H new ATOM 0 HE2 PHE A 63 7.716 -2.435 -5.127 1.00 1.95 H new ATOM 0 HZ PHE A 63 5.597 -2.211 -6.407 1.00 0.58 H new ATOM 1008 N VAL A 64 5.476 -1.997 2.068 1.00 0.61 N ATOM 1009 CA VAL A 64 5.969 -1.803 3.415 1.00 0.71 C ATOM 1010 C VAL A 64 7.483 -1.729 3.297 1.00 0.62 C ATOM 1011 O VAL A 64 8.115 -2.698 2.877 1.00 0.61 O ATOM 1012 CB VAL A 64 5.499 -2.944 4.325 1.00 0.88 C ATOM 1013 CG1 VAL A 64 6.283 -2.911 5.636 1.00 1.12 C ATOM 1014 CG2 VAL A 64 4.011 -2.781 4.652 1.00 0.92 C ATOM 0 H VAL A 64 5.314 -2.974 1.823 1.00 0.61 H new ATOM 0 HA VAL A 64 5.585 -0.890 3.871 1.00 0.71 H new ATOM 0 HB VAL A 64 5.663 -3.889 3.807 1.00 0.88 H new ATOM 0 HG11 VAL A 64 5.947 -3.723 6.281 1.00 1.12 H new ATOM 0 HG12 VAL A 64 7.346 -3.029 5.427 1.00 1.12 H new ATOM 0 HG13 VAL A 64 6.116 -1.957 6.136 1.00 1.12 H new ATOM 0 HG21 VAL A 64 3.689 -3.597 5.299 1.00 0.92 H new ATOM 0 HG22 VAL A 64 3.852 -1.830 5.161 1.00 0.92 H new ATOM 0 HG23 VAL A 64 3.432 -2.799 3.729 1.00 0.92 H new ATOM 1024 N ASP A 65 8.034 -0.567 3.635 1.00 0.71 N ATOM 1025 CA ASP A 65 9.416 -0.143 3.517 1.00 0.85 C ATOM 1026 C ASP A 65 9.896 -0.229 2.075 1.00 1.03 C ATOM 1027 O ASP A 65 10.135 0.804 1.450 1.00 2.67 O ATOM 1028 CB ASP A 65 10.339 -0.849 4.520 1.00 0.94 C ATOM 1029 CG ASP A 65 10.298 -0.195 5.886 1.00 1.71 C ATOM 1030 OD1 ASP A 65 10.579 1.021 5.966 1.00 2.66 O ATOM 1031 OD2 ASP A 65 10.002 -0.894 6.878 1.00 2.73 O ATOM 0 H ASP A 65 7.460 0.173 4.039 1.00 0.71 H new ATOM 0 HA ASP A 65 9.463 0.910 3.794 1.00 0.85 H new ATOM 0 HB2 ASP A 65 10.045 -1.895 4.610 1.00 0.94 H new ATOM 0 HB3 ASP A 65 11.362 -0.837 4.143 1.00 0.94 H new ATOM 1036 N GLN A 66 10.037 -1.435 1.535 1.00 1.07 N ATOM 1037 CA GLN A 66 10.330 -1.681 0.143 1.00 1.03 C ATOM 1038 C GLN A 66 9.701 -2.979 -0.381 1.00 0.96 C ATOM 1039 O GLN A 66 9.713 -3.203 -1.589 1.00 1.13 O ATOM 1040 CB GLN A 66 11.847 -1.588 -0.096 1.00 1.35 C ATOM 1041 CG GLN A 66 12.209 -1.332 -1.567 1.00 2.06 C ATOM 1042 CD GLN A 66 13.694 -1.037 -1.755 1.00 2.51 C ATOM 1043 OE1 GLN A 66 14.421 -0.751 -0.806 1.00 3.21 O ATOM 1044 NE2 GLN A 66 14.194 -1.118 -2.978 1.00 3.43 N ATOM 0 H GLN A 66 9.946 -2.292 2.080 1.00 1.07 H new ATOM 0 HA GLN A 66 9.856 -0.900 -0.451 1.00 1.03 H new ATOM 0 HB2 GLN A 66 12.257 -0.786 0.518 1.00 1.35 H new ATOM 0 HB3 GLN A 66 12.318 -2.514 0.232 1.00 1.35 H new ATOM 0 HG2 GLN A 66 11.936 -2.203 -2.163 1.00 2.06 H new ATOM 0 HG3 GLN A 66 11.624 -0.492 -1.942 1.00 2.06 H new ATOM 0 HE21 GLN A 66 13.587 -1.356 -3.762 1.00 3.43 H new ATOM 0 HE22 GLN A 66 15.186 -0.943 -3.136 1.00 3.43 H new ATOM 1053 N GLN A 67 9.099 -3.822 0.460 1.00 0.91 N ATOM 1054 CA GLN A 67 8.457 -5.035 0.001 1.00 0.91 C ATOM 1055 C GLN A 67 7.047 -4.627 -0.419 1.00 0.71 C ATOM 1056 O GLN A 67 6.300 -4.095 0.399 1.00 0.69 O ATOM 1057 CB GLN A 67 8.449 -6.070 1.139 1.00 1.08 C ATOM 1058 CG GLN A 67 7.328 -7.098 0.950 1.00 1.18 C ATOM 1059 CD GLN A 67 7.282 -8.187 2.010 1.00 1.59 C ATOM 1060 OE1 GLN A 67 7.224 -9.371 1.683 1.00 2.74 O ATOM 1061 NE2 GLN A 67 7.289 -7.819 3.284 1.00 2.35 N ATOM 0 H GLN A 67 9.048 -3.677 1.468 1.00 0.91 H new ATOM 0 HA GLN A 67 8.977 -5.499 -0.837 1.00 0.91 H new ATOM 0 HB2 GLN A 67 9.411 -6.581 1.175 1.00 1.08 H new ATOM 0 HB3 GLN A 67 8.322 -5.562 2.095 1.00 1.08 H new ATOM 0 HG2 GLN A 67 6.371 -6.576 0.943 1.00 1.18 H new ATOM 0 HG3 GLN A 67 7.443 -7.566 -0.028 1.00 1.18 H new ATOM 0 HE21 GLN A 67 7.338 -6.830 3.529 1.00 2.35 H new ATOM 0 HE22 GLN A 67 7.246 -8.525 4.019 1.00 2.35 H new ATOM 1070 N HIS A 68 6.665 -4.910 -1.660 1.00 0.67 N ATOM 1071 CA HIS A 68 5.270 -4.899 -2.078 1.00 0.61 C ATOM 1072 C HIS A 68 4.485 -5.864 -1.202 1.00 0.64 C ATOM 1073 O HIS A 68 4.839 -7.038 -1.107 1.00 0.74 O ATOM 1074 CB HIS A 68 5.175 -5.318 -3.543 1.00 0.69 C ATOM 1075 CG HIS A 68 3.817 -5.814 -3.938 1.00 0.75 C ATOM 1076 ND1 HIS A 68 3.376 -7.112 -3.850 1.00 0.80 N ATOM 1077 CD2 HIS A 68 2.820 -5.062 -4.481 1.00 0.88 C ATOM 1078 CE1 HIS A 68 2.133 -7.143 -4.356 1.00 0.88 C ATOM 1079 NE2 HIS A 68 1.748 -5.917 -4.752 1.00 0.95 N ATOM 0 H HIS A 68 7.317 -5.154 -2.405 1.00 0.67 H new ATOM 0 HA HIS A 68 4.855 -3.897 -1.972 1.00 0.61 H new ATOM 0 HB2 HIS A 68 5.440 -4.469 -4.173 1.00 0.69 H new ATOM 0 HB3 HIS A 68 5.909 -6.100 -3.737 1.00 0.69 H new ATOM 0 HD1 HIS A 68 3.896 -7.904 -3.471 1.00 0.80 H new ATOM 0 HD2 HIS A 68 2.852 -3.999 -4.668 1.00 0.88 H new ATOM 0 HE1 HIS A 68 1.525 -8.032 -4.434 1.00 0.88 H new ATOM 1087 N ILE A 69 3.390 -5.390 -0.626 1.00 0.66 N ATOM 1088 CA ILE A 69 2.401 -6.226 0.014 1.00 0.76 C ATOM 1089 C ILE A 69 1.268 -6.464 -0.976 1.00 0.75 C ATOM 1090 O ILE A 69 1.034 -7.607 -1.368 1.00 0.87 O ATOM 1091 CB ILE A 69 1.924 -5.580 1.320 1.00 0.85 C ATOM 1092 CG1 ILE A 69 3.089 -5.228 2.258 1.00 0.88 C ATOM 1093 CG2 ILE A 69 0.955 -6.539 2.010 1.00 1.02 C ATOM 1094 CD1 ILE A 69 3.922 -6.447 2.651 1.00 0.95 C ATOM 0 H ILE A 69 3.166 -4.396 -0.593 1.00 0.66 H new ATOM 0 HA ILE A 69 2.825 -7.192 0.290 1.00 0.76 H new ATOM 0 HB ILE A 69 1.426 -4.641 1.079 1.00 0.85 H new ATOM 0 HG12 ILE A 69 3.733 -4.495 1.771 1.00 0.88 H new ATOM 0 HG13 ILE A 69 2.695 -4.757 3.159 1.00 0.88 H new ATOM 0 HG21 ILE A 69 0.605 -6.095 2.942 1.00 1.02 H new ATOM 0 HG22 ILE A 69 0.103 -6.729 1.356 1.00 1.02 H new ATOM 0 HG23 ILE A 69 1.464 -7.479 2.224 1.00 1.02 H new ATOM 0 HD11 ILE A 69 4.730 -6.137 3.314 1.00 0.95 H new ATOM 0 HD12 ILE A 69 3.289 -7.170 3.164 1.00 0.95 H new ATOM 0 HD13 ILE A 69 4.343 -6.904 1.755 1.00 0.95 H new ATOM 1106 N GLY A 70 0.591 -5.398 -1.400 1.00 0.70 N ATOM 1107 CA GLY A 70 -0.589 -5.494 -2.252 1.00 0.77 C ATOM 1108 C GLY A 70 -1.737 -4.656 -1.696 1.00 0.69 C ATOM 1109 O GLY A 70 -1.496 -3.589 -1.128 1.00 0.95 O ATOM 0 H GLY A 70 0.848 -4.440 -1.160 1.00 0.70 H new ATOM 0 HA2 GLY A 70 -0.343 -5.157 -3.259 1.00 0.77 H new ATOM 0 HA3 GLY A 70 -0.900 -6.536 -2.332 1.00 0.77 H new ATOM 1113 N GLY A 71 -2.972 -5.117 -1.889 1.00 0.76 N ATOM 1114 CA GLY A 71 -4.180 -4.367 -1.598 1.00 0.77 C ATOM 1115 C GLY A 71 -4.519 -4.386 -0.119 1.00 0.67 C ATOM 1116 O GLY A 71 -3.740 -4.847 0.711 1.00 0.70 O ATOM 0 H GLY A 71 -3.158 -6.048 -2.262 1.00 0.76 H new ATOM 0 HA2 GLY A 71 -4.055 -3.336 -1.928 1.00 0.77 H new ATOM 0 HA3 GLY A 71 -5.011 -4.784 -2.166 1.00 0.77 H new ATOM 1120 N TYR A 72 -5.706 -3.888 0.237 1.00 0.66 N ATOM 1121 CA TYR A 72 -6.086 -3.846 1.643 1.00 0.57 C ATOM 1122 C TYR A 72 -6.094 -5.264 2.235 1.00 0.63 C ATOM 1123 O TYR A 72 -5.664 -5.449 3.365 1.00 0.67 O ATOM 1124 CB TYR A 72 -7.455 -3.175 1.835 1.00 0.64 C ATOM 1125 CG TYR A 72 -8.057 -3.376 3.213 1.00 0.70 C ATOM 1126 CD1 TYR A 72 -7.274 -3.155 4.363 1.00 1.46 C ATOM 1127 CD2 TYR A 72 -9.348 -3.910 3.355 1.00 1.40 C ATOM 1128 CE1 TYR A 72 -7.701 -3.653 5.603 1.00 1.56 C ATOM 1129 CE2 TYR A 72 -9.735 -4.490 4.572 1.00 1.28 C ATOM 1130 CZ TYR A 72 -8.871 -4.421 5.676 1.00 0.79 C ATOM 1131 OH TYR A 72 -9.262 -4.930 6.872 1.00 1.05 O ATOM 0 H TYR A 72 -6.401 -3.519 -0.412 1.00 0.66 H new ATOM 0 HA TYR A 72 -5.346 -3.246 2.173 1.00 0.57 H new ATOM 0 HB2 TYR A 72 -7.353 -2.106 1.648 1.00 0.64 H new ATOM 0 HB3 TYR A 72 -8.146 -3.565 1.088 1.00 0.64 H new ATOM 0 HD1 TYR A 72 -6.348 -2.604 4.290 1.00 1.46 H new ATOM 0 HD2 TYR A 72 -10.042 -3.874 2.528 1.00 1.40 H new ATOM 0 HE1 TYR A 72 -7.131 -3.446 6.497 1.00 1.56 H new ATOM 0 HE2 TYR A 72 -10.690 -4.986 4.659 1.00 1.28 H new ATOM 0 HH TYR A 72 -10.092 -5.437 6.756 1.00 1.05 H new ATOM 1141 N THR A 73 -6.590 -6.268 1.506 1.00 0.70 N ATOM 1142 CA THR A 73 -6.594 -7.644 2.005 1.00 0.77 C ATOM 1143 C THR A 73 -5.173 -8.077 2.372 1.00 0.72 C ATOM 1144 O THR A 73 -4.932 -8.586 3.469 1.00 0.79 O ATOM 1145 CB THR A 73 -7.343 -8.590 1.055 1.00 0.96 C ATOM 1146 OG1 THR A 73 -8.538 -9.059 1.653 1.00 2.71 O ATOM 1147 CG2 THR A 73 -6.561 -9.824 0.640 1.00 2.02 C ATOM 0 H THR A 73 -6.991 -6.154 0.575 1.00 0.70 H new ATOM 0 HA THR A 73 -7.165 -7.697 2.932 1.00 0.77 H new ATOM 0 HB THR A 73 -7.526 -7.981 0.170 1.00 0.96 H new ATOM 0 HG1 THR A 73 -9.001 -9.659 1.032 1.00 2.71 H new ATOM 0 HG21 THR A 73 -7.169 -10.432 -0.030 1.00 2.02 H new ATOM 0 HG22 THR A 73 -5.648 -9.521 0.127 1.00 2.02 H new ATOM 0 HG23 THR A 73 -6.303 -10.406 1.525 1.00 2.02 H new ATOM 1155 N ASP A 74 -4.251 -7.870 1.439 1.00 0.68 N ATOM 1156 CA ASP A 74 -2.854 -8.237 1.541 1.00 0.70 C ATOM 1157 C ASP A 74 -2.272 -7.534 2.762 1.00 0.70 C ATOM 1158 O ASP A 74 -1.644 -8.138 3.622 1.00 0.87 O ATOM 1159 CB ASP A 74 -2.142 -7.798 0.248 1.00 0.74 C ATOM 1160 CG ASP A 74 -2.874 -8.232 -1.003 1.00 0.99 C ATOM 1161 OD1 ASP A 74 -3.984 -7.709 -1.242 1.00 2.36 O ATOM 1162 OD2 ASP A 74 -2.344 -9.108 -1.713 1.00 1.72 O ATOM 0 H ASP A 74 -4.473 -7.420 0.551 1.00 0.68 H new ATOM 0 HA ASP A 74 -2.724 -9.313 1.658 1.00 0.70 H new ATOM 0 HB2 ASP A 74 -2.040 -6.713 0.246 1.00 0.74 H new ATOM 0 HB3 ASP A 74 -1.134 -8.213 0.235 1.00 0.74 H new ATOM 1167 N PHE A 75 -2.515 -6.231 2.842 1.00 0.60 N ATOM 1168 CA PHE A 75 -1.957 -5.370 3.864 1.00 0.57 C ATOM 1169 C PHE A 75 -2.493 -5.787 5.232 1.00 0.61 C ATOM 1170 O PHE A 75 -1.735 -5.905 6.188 1.00 0.65 O ATOM 1171 CB PHE A 75 -2.301 -3.917 3.527 1.00 0.51 C ATOM 1172 CG PHE A 75 -1.852 -2.892 4.548 1.00 0.48 C ATOM 1173 CD1 PHE A 75 -0.533 -2.921 5.046 1.00 1.56 C ATOM 1174 CD2 PHE A 75 -2.679 -1.793 4.837 1.00 1.85 C ATOM 1175 CE1 PHE A 75 -0.040 -1.849 5.808 1.00 1.63 C ATOM 1176 CE2 PHE A 75 -2.166 -0.704 5.556 1.00 1.82 C ATOM 1177 CZ PHE A 75 -0.848 -0.723 6.031 1.00 0.58 C ATOM 0 H PHE A 75 -3.118 -5.739 2.183 1.00 0.60 H new ATOM 0 HA PHE A 75 -0.871 -5.462 3.898 1.00 0.57 H new ATOM 0 HB2 PHE A 75 -1.852 -3.668 2.565 1.00 0.51 H new ATOM 0 HB3 PHE A 75 -3.381 -3.835 3.405 1.00 0.51 H new ATOM 0 HD1 PHE A 75 0.101 -3.771 4.841 1.00 1.56 H new ATOM 0 HD2 PHE A 75 -3.707 -1.787 4.506 1.00 1.85 H new ATOM 0 HE1 PHE A 75 0.957 -1.891 6.221 1.00 1.63 H new ATOM 0 HE2 PHE A 75 -2.791 0.156 5.745 1.00 1.82 H new ATOM 0 HZ PHE A 75 -0.454 0.127 6.568 1.00 0.58 H new ATOM 1187 N ALA A 76 -3.796 -6.048 5.331 1.00 0.65 N ATOM 1188 CA ALA A 76 -4.413 -6.558 6.544 1.00 0.70 C ATOM 1189 C ALA A 76 -3.702 -7.835 6.977 1.00 0.71 C ATOM 1190 O ALA A 76 -3.341 -7.986 8.142 1.00 0.75 O ATOM 1191 CB ALA A 76 -5.902 -6.828 6.305 1.00 0.75 C ATOM 0 H ALA A 76 -4.453 -5.909 4.564 1.00 0.65 H new ATOM 0 HA ALA A 76 -4.322 -5.815 7.336 1.00 0.70 H new ATOM 0 HB1 ALA A 76 -6.354 -7.210 7.220 1.00 0.75 H new ATOM 0 HB2 ALA A 76 -6.398 -5.902 6.014 1.00 0.75 H new ATOM 0 HB3 ALA A 76 -6.015 -7.565 5.510 1.00 0.75 H new ATOM 1197 N ALA A 77 -3.506 -8.756 6.034 1.00 0.74 N ATOM 1198 CA ALA A 77 -2.805 -9.997 6.303 1.00 0.82 C ATOM 1199 C ALA A 77 -1.384 -9.733 6.799 1.00 0.78 C ATOM 1200 O ALA A 77 -0.946 -10.416 7.720 1.00 0.89 O ATOM 1201 CB ALA A 77 -2.813 -10.889 5.066 1.00 0.91 C ATOM 0 H ALA A 77 -3.828 -8.658 5.071 1.00 0.74 H new ATOM 0 HA ALA A 77 -3.329 -10.523 7.101 1.00 0.82 H new ATOM 0 HB1 ALA A 77 -2.283 -11.817 5.283 1.00 0.91 H new ATOM 0 HB2 ALA A 77 -3.842 -11.115 4.787 1.00 0.91 H new ATOM 0 HB3 ALA A 77 -2.319 -10.373 4.242 1.00 0.91 H new ATOM 1207 N TRP A 78 -0.684 -8.761 6.210 1.00 0.76 N ATOM 1208 CA TRP A 78 0.687 -8.435 6.573 1.00 0.74 C ATOM 1209 C TRP A 78 0.722 -7.866 7.992 1.00 0.69 C ATOM 1210 O TRP A 78 1.560 -8.251 8.801 1.00 0.68 O ATOM 1211 CB TRP A 78 1.280 -7.421 5.589 1.00 0.72 C ATOM 1212 CG TRP A 78 2.665 -6.983 5.956 1.00 0.77 C ATOM 1213 CD1 TRP A 78 3.785 -7.656 5.620 1.00 0.93 C ATOM 1214 CD2 TRP A 78 3.095 -5.946 6.891 1.00 0.77 C ATOM 1215 NE1 TRP A 78 4.874 -7.092 6.241 1.00 1.03 N ATOM 1216 CE2 TRP A 78 4.498 -6.086 7.106 1.00 0.97 C ATOM 1217 CE3 TRP A 78 2.437 -4.940 7.630 1.00 0.72 C ATOM 1218 CZ2 TRP A 78 5.191 -5.325 8.058 1.00 1.16 C ATOM 1219 CZ3 TRP A 78 3.122 -4.166 8.584 1.00 0.91 C ATOM 1220 CH2 TRP A 78 4.490 -4.383 8.826 1.00 1.14 C ATOM 0 H TRP A 78 -1.060 -8.177 5.463 1.00 0.76 H new ATOM 0 HA TRP A 78 1.285 -9.345 6.532 1.00 0.74 H new ATOM 0 HB2 TRP A 78 1.297 -7.860 4.591 1.00 0.72 H new ATOM 0 HB3 TRP A 78 0.630 -6.547 5.542 1.00 0.72 H new ATOM 0 HD1 TRP A 78 3.821 -8.511 4.961 1.00 0.93 H new ATOM 0 HE1 TRP A 78 5.839 -7.381 6.082 1.00 1.03 H new ATOM 0 HE3 TRP A 78 1.386 -4.761 7.460 1.00 0.72 H new ATOM 0 HZ2 TRP A 78 6.253 -5.462 8.199 1.00 1.16 H new ATOM 0 HZ3 TRP A 78 2.594 -3.401 9.134 1.00 0.91 H new ATOM 0 HH2 TRP A 78 4.999 -3.827 9.600 1.00 1.14 H new ATOM 1231 N VAL A 79 -0.162 -6.918 8.305 1.00 0.68 N ATOM 1232 CA VAL A 79 -0.294 -6.362 9.647 1.00 0.67 C ATOM 1233 C VAL A 79 -0.482 -7.529 10.615 1.00 0.72 C ATOM 1234 O VAL A 79 0.295 -7.727 11.552 1.00 0.74 O ATOM 1235 CB VAL A 79 -1.472 -5.367 9.676 1.00 0.70 C ATOM 1236 CG1 VAL A 79 -1.919 -5.017 11.101 1.00 0.80 C ATOM 1237 CG2 VAL A 79 -1.088 -4.076 8.942 1.00 0.69 C ATOM 0 H VAL A 79 -0.809 -6.514 7.628 1.00 0.68 H new ATOM 0 HA VAL A 79 0.594 -5.805 9.945 1.00 0.67 H new ATOM 0 HB VAL A 79 -2.308 -5.858 9.177 1.00 0.70 H new ATOM 0 HG11 VAL A 79 -2.750 -4.313 11.059 1.00 0.80 H new ATOM 0 HG12 VAL A 79 -2.237 -5.924 11.616 1.00 0.80 H new ATOM 0 HG13 VAL A 79 -1.088 -4.565 11.642 1.00 0.80 H new ATOM 0 HG21 VAL A 79 -1.926 -3.380 8.968 1.00 0.69 H new ATOM 0 HG22 VAL A 79 -0.225 -3.623 9.430 1.00 0.69 H new ATOM 0 HG23 VAL A 79 -0.840 -4.307 7.906 1.00 0.69 H new ATOM 1247 N LYS A 80 -1.461 -8.369 10.301 1.00 0.82 N ATOM 1248 CA LYS A 80 -1.805 -9.563 11.041 1.00 1.03 C ATOM 1249 C LYS A 80 -0.871 -10.699 10.635 1.00 1.36 C ATOM 1250 O LYS A 80 -1.329 -11.819 10.418 1.00 2.51 O ATOM 1251 CB LYS A 80 -3.267 -9.918 10.731 1.00 1.35 C ATOM 1252 CG LYS A 80 -4.236 -8.818 11.169 1.00 2.13 C ATOM 1253 CD LYS A 80 -5.614 -9.049 10.536 1.00 2.82 C ATOM 1254 CE LYS A 80 -6.744 -8.562 11.449 1.00 3.76 C ATOM 1255 NZ LYS A 80 -6.530 -7.202 11.974 1.00 4.86 N ATOM 0 H LYS A 80 -2.059 -8.224 9.487 1.00 0.82 H new ATOM 0 HA LYS A 80 -1.694 -9.399 12.113 1.00 1.03 H new ATOM 0 HB2 LYS A 80 -3.377 -10.092 9.661 1.00 1.35 H new ATOM 0 HB3 LYS A 80 -3.527 -10.850 11.234 1.00 1.35 H new ATOM 0 HG2 LYS A 80 -4.323 -8.810 12.256 1.00 2.13 H new ATOM 0 HG3 LYS A 80 -3.850 -7.843 10.873 1.00 2.13 H new ATOM 0 HD2 LYS A 80 -5.668 -8.528 9.580 1.00 2.82 H new ATOM 0 HD3 LYS A 80 -5.746 -10.111 10.328 1.00 2.82 H new ATOM 0 HE2 LYS A 80 -7.683 -8.586 10.896 1.00 3.76 H new ATOM 0 HE3 LYS A 80 -6.849 -9.253 12.285 1.00 3.76 H new ATOM 0 HZ1 LYS A 80 -7.403 -6.863 12.426 1.00 4.86 H new ATOM 0 HZ2 LYS A 80 -5.761 -7.217 12.674 1.00 4.86 H new ATOM 0 HZ3 LYS A 80 -6.274 -6.565 11.193 1.00 4.86 H new ATOM 1269 N GLU A 81 0.423 -10.413 10.507 1.00 0.87 N ATOM 1270 CA GLU A 81 1.479 -11.411 10.525 1.00 0.97 C ATOM 1271 C GLU A 81 2.749 -10.795 11.116 1.00 0.93 C ATOM 1272 O GLU A 81 3.353 -11.325 12.046 1.00 1.37 O ATOM 1273 CB GLU A 81 1.598 -12.152 9.177 1.00 1.16 C ATOM 1274 CG GLU A 81 2.531 -11.576 8.115 1.00 1.66 C ATOM 1275 CD GLU A 81 3.925 -12.146 8.247 1.00 2.57 C ATOM 1276 OE1 GLU A 81 4.392 -12.304 9.391 1.00 3.82 O ATOM 1277 OE2 GLU A 81 4.498 -12.518 7.204 1.00 3.11 O ATOM 0 H GLU A 81 0.769 -9.461 10.386 1.00 0.87 H new ATOM 0 HA GLU A 81 1.236 -12.232 11.199 1.00 0.97 H new ATOM 0 HB2 GLU A 81 1.921 -13.172 9.386 1.00 1.16 H new ATOM 0 HB3 GLU A 81 0.600 -12.216 8.743 1.00 1.16 H new ATOM 0 HG2 GLU A 81 2.137 -11.796 7.123 1.00 1.66 H new ATOM 0 HG3 GLU A 81 2.568 -10.491 8.209 1.00 1.66 H new ATOM 1284 N ASN A 82 3.115 -9.605 10.655 1.00 0.90 N ATOM 1285 CA ASN A 82 4.340 -8.941 11.063 1.00 1.06 C ATOM 1286 C ASN A 82 4.099 -8.204 12.370 1.00 1.14 C ATOM 1287 O ASN A 82 4.988 -8.188 13.222 1.00 1.37 O ATOM 1288 CB ASN A 82 4.790 -7.923 10.010 1.00 1.23 C ATOM 1289 CG ASN A 82 5.671 -8.536 8.933 1.00 1.41 C ATOM 1290 OD1 ASN A 82 6.870 -8.278 8.879 1.00 2.06 O ATOM 1291 ND2 ASN A 82 5.083 -9.306 8.034 1.00 1.29 N ATOM 0 H ASN A 82 2.563 -9.072 9.982 1.00 0.90 H new ATOM 0 HA ASN A 82 5.115 -9.698 11.181 1.00 1.06 H new ATOM 0 HB2 ASN A 82 3.911 -7.478 9.544 1.00 1.23 H new ATOM 0 HB3 ASN A 82 5.334 -7.116 10.501 1.00 1.23 H new ATOM 0 HD21 ASN A 82 5.628 -9.704 7.269 1.00 1.29 H new ATOM 0 HD22 ASN A 82 4.085 -9.502 8.105 1.00 1.29 H new ATOM 1298 N LEU A 83 2.944 -7.562 12.540 1.00 1.07 N ATOM 1299 CA LEU A 83 2.657 -6.846 13.772 1.00 1.19 C ATOM 1300 C LEU A 83 2.013 -7.799 14.775 1.00 1.25 C ATOM 1301 O LEU A 83 2.522 -7.918 15.893 1.00 1.49 O ATOM 1302 CB LEU A 83 1.831 -5.574 13.525 1.00 1.21 C ATOM 1303 CG LEU A 83 2.472 -4.593 12.523 1.00 1.03 C ATOM 1304 CD1 LEU A 83 1.709 -3.263 12.546 1.00 1.33 C ATOM 1305 CD2 LEU A 83 3.946 -4.298 12.831 1.00 1.42 C ATOM 0 H LEU A 83 2.200 -7.526 11.843 1.00 1.07 H new ATOM 0 HA LEU A 83 3.593 -6.491 14.203 1.00 1.19 H new ATOM 0 HB2 LEU A 83 0.845 -5.859 13.158 1.00 1.21 H new ATOM 0 HB3 LEU A 83 1.681 -5.061 14.475 1.00 1.21 H new ATOM 0 HG LEU A 83 2.419 -5.071 11.545 1.00 1.03 H new ATOM 0 HD11 LEU A 83 2.163 -2.571 11.837 1.00 1.33 H new ATOM 0 HD12 LEU A 83 0.669 -3.435 12.269 1.00 1.33 H new ATOM 0 HD13 LEU A 83 1.752 -2.836 13.548 1.00 1.33 H new ATOM 0 HD21 LEU A 83 4.340 -3.602 12.091 1.00 1.42 H new ATOM 0 HD22 LEU A 83 4.029 -3.857 13.824 1.00 1.42 H new ATOM 0 HD23 LEU A 83 4.518 -5.226 12.797 1.00 1.42 H new ATOM 1317 N ASP A 84 0.904 -8.460 14.415 1.00 1.23 N ATOM 1318 CA ASP A 84 0.149 -9.310 15.345 1.00 1.46 C ATOM 1319 C ASP A 84 0.082 -10.798 14.985 1.00 2.84 C ATOM 1320 O ASP A 84 -0.777 -11.493 15.527 1.00 3.36 O ATOM 1321 CB ASP A 84 -1.233 -8.736 15.688 1.00 1.88 C ATOM 1322 CG ASP A 84 -2.163 -8.556 14.523 1.00 2.94 C ATOM 1323 OD1 ASP A 84 -2.028 -7.505 13.862 1.00 4.19 O ATOM 1324 OD2 ASP A 84 -3.078 -9.388 14.365 1.00 3.57 O ATOM 0 H ASP A 84 0.507 -8.421 13.476 1.00 1.23 H new ATOM 0 HA ASP A 84 0.754 -9.284 16.252 1.00 1.46 H new ATOM 0 HB2 ASP A 84 -1.711 -9.394 16.414 1.00 1.88 H new ATOM 0 HB3 ASP A 84 -1.096 -7.770 16.174 1.00 1.88 H new ATOM 1329 N ALA A 85 1.066 -11.308 14.245 1.00 4.11 N ATOM 1330 CA ALA A 85 1.410 -12.729 14.168 1.00 5.83 C ATOM 1331 C ALA A 85 0.557 -13.541 13.202 1.00 7.09 C ATOM 1332 O ALA A 85 1.129 -14.326 12.449 1.00 8.40 O ATOM 1333 CB ALA A 85 1.450 -13.396 15.544 1.00 6.47 C ATOM 1334 OXT ALA A 85 -0.628 -13.266 13.043 1.00 7.22 O ATOM 0 H ALA A 85 1.666 -10.724 13.663 1.00 4.11 H new ATOM 0 HA ALA A 85 2.417 -12.731 13.751 1.00 5.83 H new ATOM 0 HB1 ALA A 85 1.710 -14.449 15.431 1.00 6.47 H new ATOM 0 HB2 ALA A 85 2.197 -12.903 16.166 1.00 6.47 H new ATOM 0 HB3 ALA A 85 0.472 -13.313 16.017 1.00 6.47 H new TER 1340 ALA A 85 HETATM 1341 N1 GSH A 86 -10.080 -5.260 -3.281 1.00 3.68 N HETATM 1342 CA1 GSH A 86 -8.662 -4.942 -3.298 1.00 1.55 C HETATM 1343 C1 GSH A 86 -8.548 -3.489 -3.646 1.00 3.36 C HETATM 1344 O11 GSH A 86 -7.473 -2.952 -3.415 1.00 4.25 O HETATM 1345 O12 GSH A 86 -9.614 -2.903 -3.789 1.00 4.73 O HETATM 1346 CB1 GSH A 86 -7.788 -5.799 -4.211 1.00 1.41 C HETATM 1347 CG1 GSH A 86 -8.481 -6.805 -5.113 1.00 2.05 C HETATM 1348 CD1 GSH A 86 -9.342 -6.206 -6.234 1.00 1.69 C HETATM 1349 OE1 GSH A 86 -9.948 -6.957 -6.993 1.00 2.07 O HETATM 1350 N2 GSH A 86 -9.375 -4.876 -6.373 1.00 1.31 N HETATM 1351 CA2 GSH A 86 -10.090 -4.179 -7.436 1.00 1.17 C HETATM 1352 C2 GSH A 86 -9.114 -3.698 -8.502 1.00 1.04 C HETATM 1353 O2 GSH A 86 -8.426 -2.697 -8.304 1.00 1.24 O HETATM 1354 CB2 GSH A 86 -10.860 -2.988 -6.874 1.00 1.40 C HETATM 1355 SG2 GSH A 86 -12.221 -3.427 -5.774 1.00 1.89 S HETATM 1356 N3 GSH A 86 -9.016 -4.414 -9.618 1.00 1.33 N HETATM 1357 CA3 GSH A 86 -8.181 -4.050 -10.748 1.00 1.57 C HETATM 1358 C3 GSH A 86 -9.107 -3.752 -11.915 1.00 2.35 C HETATM 1359 O31 GSH A 86 -9.470 -4.673 -12.641 1.00 3.38 O HETATM 1360 O32 GSH A 86 -9.707 -2.684 -11.931 1.00 2.79 O HETATM 0 HN12 GSH A 86 -10.387 -6.208 -3.064 1.00 3.68 H new HETATM 0 HN11 GSH A 86 -10.768 -4.535 -3.486 1.00 3.68 H new HETATM 0 HG13 GSH A 86 -7.723 -7.445 -5.564 1.00 2.05 H new HETATM 0 HG12 GSH A 86 -9.112 -7.445 -4.496 1.00 2.05 H new HETATM 0 HB23 GSH A 86 -10.165 -2.345 -6.333 1.00 1.40 H new HETATM 0 HB22 GSH A 86 -11.255 -2.403 -7.704 1.00 1.40 H new HETATM 0 HB13 GSH A 86 -7.205 -5.129 -4.842 1.00 1.41 H new HETATM 0 HB12 GSH A 86 -7.081 -6.342 -3.584 1.00 1.41 H new HETATM 0 HA32 GSH A 86 -7.570 -3.179 -10.510 1.00 1.57 H new HETATM 0 HA31 GSH A 86 -7.497 -4.861 -10.997 1.00 1.57 H new HETATM 0 HN3 GSH A 86 -9.562 -5.273 -9.684 1.00 1.33 H new HETATM 0 HN2 GSH A 86 -8.867 -4.313 -5.691 1.00 1.31 H new HETATM 0 HA2 GSH A 86 -10.797 -4.877 -7.885 1.00 1.17 H new HETATM 0 HA1 GSH A 86 -8.266 -5.171 -2.309 1.00 1.55 H new