USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 654 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 58 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 61 GLN : amide:sc= 0.74 K(o=-1,f=-2.8) USER MOD Set 1.3: A 68 HIS :FLIP no HE2:sc= -1.77 F(o=-3.1,f=-1) USER MOD Set 2.1: A 1 MET N :NH3+ 170:sc= -0.296! (180deg=-1.45!) USER MOD Set 2.2: A 2 GLN : amide:sc= -3.76! C(o=-4.1!,f=-16!) USER MOD Set 2.3: A 32 GLN : amide:sc=-0.00705 K(o=-4.1,f=-14!) USER MOD Single : A 1 MET CE :methyl -172:sc= -0.977 (180deg=-1.16) USER MOD Single : A 3 THR OG1 : rot 107:sc= 1.59 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0159 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.294 USER MOD Single : A 18 LYS NZ :NH3+ -120:sc= -4.36! (180deg=-10!) USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= -3.06! (180deg=-5.1!) USER MOD Single : A 25 SER OG : rot 17:sc= 0.879 USER MOD Single : A 26 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.925 F(o=-3!,f=-0.93) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.343 USER MOD Single : A 44 THR OG1 : rot -130:sc= 1.42 USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= 1.28 (180deg=0.425) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 50 GLN : amide:sc= -0.397 K(o=-0.4,f=-3.7!) USER MOD Single : A 51 LYS NZ :NH3+ -125:sc= -3.63! (180deg=-7.32!) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 1.16 (180deg=-0.238) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.0819 K(o=0.082,f=-3.7!) USER MOD Single : A 72 TYR OH : rot 15:sc= 0.987 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.231 USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= -3.85! (180deg=-4.34!) USER MOD Single : A 82 ASN : amide:sc= -0.0448 X(o=-0.045,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.341 -2.203 5.113 1.00 2.82 N ATOM 2 CA MET A 1 -8.175 -1.406 5.595 1.00 2.29 C ATOM 3 C MET A 1 -6.908 -2.278 5.536 1.00 1.95 C ATOM 4 O MET A 1 -6.034 -2.229 6.375 1.00 1.99 O ATOM 5 CB MET A 1 -8.451 -0.938 7.023 1.00 2.20 C ATOM 6 CG MET A 1 -9.657 0.017 7.036 1.00 2.81 C ATOM 7 SD MET A 1 -11.072 -0.369 5.974 1.00 2.61 S ATOM 8 CE MET A 1 -10.616 0.686 4.570 1.00 1.59 C ATOM 0 H1 MET A 1 -10.221 -1.684 5.307 1.00 2.82 H new ATOM 0 H2 MET A 1 -9.253 -2.363 4.089 1.00 2.82 H new ATOM 0 H3 MET A 1 -9.363 -3.118 5.606 1.00 2.82 H new ATOM 0 HA MET A 1 -8.022 -0.531 4.963 1.00 2.29 H new ATOM 0 HB2 MET A 1 -8.649 -1.797 7.665 1.00 2.20 H new ATOM 0 HB3 MET A 1 -7.573 -0.434 7.426 1.00 2.20 H new ATOM 0 HG2 MET A 1 -10.019 0.080 8.062 1.00 2.81 H new ATOM 0 HG3 MET A 1 -9.298 1.009 6.763 1.00 2.81 H new ATOM 0 HE1 MET A 1 -11.434 0.708 3.850 1.00 1.59 H new ATOM 0 HE2 MET A 1 -10.418 1.698 4.924 1.00 1.59 H new ATOM 0 HE3 MET A 1 -9.722 0.287 4.091 1.00 1.59 H new ATOM 18 N GLN A 2 -6.835 -3.012 4.467 1.00 1.74 N ATOM 19 CA GLN A 2 -5.710 -3.943 4.198 1.00 1.46 C ATOM 20 C GLN A 2 -5.095 -3.483 2.876 1.00 1.17 C ATOM 21 O GLN A 2 -5.814 -3.326 1.907 1.00 1.42 O ATOM 22 CB GLN A 2 -6.294 -5.360 4.065 1.00 1.66 C ATOM 23 CG GLN A 2 -6.610 -5.978 5.446 1.00 2.46 C ATOM 24 CD GLN A 2 -7.359 -4.986 6.356 1.00 4.51 C ATOM 25 OE1 GLN A 2 -8.428 -4.486 6.034 1.00 5.57 O ATOM 26 NE2 GLN A 2 -6.823 -4.671 7.498 1.00 5.97 N ATOM 0 H GLN A 2 -7.544 -3.003 3.734 1.00 1.74 H new ATOM 0 HA GLN A 2 -4.957 -3.950 4.986 1.00 1.46 H new ATOM 0 HB2 GLN A 2 -7.203 -5.324 3.465 1.00 1.66 H new ATOM 0 HB3 GLN A 2 -5.587 -5.997 3.534 1.00 1.66 H new ATOM 0 HG2 GLN A 2 -7.213 -6.877 5.313 1.00 2.46 H new ATOM 0 HG3 GLN A 2 -5.682 -6.285 5.928 1.00 2.46 H new ATOM 0 HE21 GLN A 2 -5.932 -5.083 7.774 1.00 5.97 H new ATOM 0 HE22 GLN A 2 -7.294 -4.012 8.118 1.00 5.97 H new ATOM 35 N THR A 3 -3.811 -3.241 2.840 1.00 0.85 N ATOM 36 CA THR A 3 -3.219 -2.760 1.560 1.00 0.65 C ATOM 37 C THR A 3 -2.269 -3.772 0.918 1.00 0.55 C ATOM 38 O THR A 3 -1.546 -4.495 1.585 1.00 0.62 O ATOM 39 CB THR A 3 -2.472 -1.461 1.864 1.00 0.80 C ATOM 40 OG1 THR A 3 -3.446 -0.611 2.460 1.00 0.95 O ATOM 41 CG2 THR A 3 -2.020 -0.750 0.585 1.00 0.90 C ATOM 0 H THR A 3 -3.162 -3.352 3.619 1.00 0.85 H new ATOM 0 HA THR A 3 -4.023 -2.608 0.840 1.00 0.65 H new ATOM 0 HB THR A 3 -1.596 -1.672 2.478 1.00 0.80 H new ATOM 0 HG1 THR A 3 -3.265 -0.529 3.420 1.00 0.95 H new ATOM 0 HG21 THR A 3 -1.493 0.168 0.846 1.00 0.90 H new ATOM 0 HG22 THR A 3 -1.353 -1.403 0.022 1.00 0.90 H new ATOM 0 HG23 THR A 3 -2.891 -0.508 -0.024 1.00 0.90 H new ATOM 49 N VAL A 4 -2.300 -3.787 -0.387 1.00 0.55 N ATOM 50 CA VAL A 4 -1.421 -4.692 -1.171 1.00 0.65 C ATOM 51 C VAL A 4 -0.614 -3.790 -2.102 1.00 0.67 C ATOM 52 O VAL A 4 -1.188 -3.040 -2.889 1.00 0.74 O ATOM 53 CB VAL A 4 -2.272 -5.681 -1.983 1.00 0.82 C ATOM 54 CG1 VAL A 4 -1.388 -6.849 -2.443 1.00 1.01 C ATOM 55 CG2 VAL A 4 -3.413 -6.237 -1.119 1.00 1.08 C ATOM 0 H VAL A 4 -2.911 -3.197 -0.951 1.00 0.55 H new ATOM 0 HA VAL A 4 -0.769 -5.280 -0.526 1.00 0.65 H new ATOM 0 HB VAL A 4 -2.692 -5.160 -2.843 1.00 0.82 H new ATOM 0 HG11 VAL A 4 -1.987 -7.554 -3.020 1.00 1.01 H new ATOM 0 HG12 VAL A 4 -0.577 -6.469 -3.064 1.00 1.01 H new ATOM 0 HG13 VAL A 4 -0.971 -7.355 -1.572 1.00 1.01 H new ATOM 0 HG21 VAL A 4 -4.007 -6.936 -1.707 1.00 1.08 H new ATOM 0 HG22 VAL A 4 -2.996 -6.753 -0.254 1.00 1.08 H new ATOM 0 HG23 VAL A 4 -4.047 -5.417 -0.781 1.00 1.08 H new ATOM 65 N ILE A 5 0.676 -3.815 -1.910 1.00 0.63 N ATOM 66 CA ILE A 5 1.577 -2.989 -2.751 1.00 0.63 C ATOM 67 C ILE A 5 2.310 -3.941 -3.702 1.00 0.62 C ATOM 68 O ILE A 5 2.922 -4.892 -3.245 1.00 0.76 O ATOM 69 CB ILE A 5 2.593 -2.270 -1.832 1.00 0.66 C ATOM 70 CG1 ILE A 5 1.884 -1.590 -0.632 1.00 0.72 C ATOM 71 CG2 ILE A 5 3.370 -1.216 -2.638 1.00 0.67 C ATOM 72 CD1 ILE A 5 1.025 -0.397 -1.078 1.00 1.90 C ATOM 0 H ILE A 5 1.145 -4.378 -1.200 1.00 0.63 H new ATOM 0 HA ILE A 5 1.023 -2.241 -3.318 1.00 0.63 H new ATOM 0 HB ILE A 5 3.283 -3.018 -1.441 1.00 0.66 H new ATOM 0 HG12 ILE A 5 1.256 -2.319 -0.120 1.00 0.72 H new ATOM 0 HG13 ILE A 5 2.630 -1.252 0.087 1.00 0.72 H new ATOM 0 HG21 ILE A 5 4.084 -0.713 -1.986 1.00 0.67 H new ATOM 0 HG22 ILE A 5 3.904 -1.703 -3.454 1.00 0.67 H new ATOM 0 HG23 ILE A 5 2.673 -0.484 -3.046 1.00 0.67 H new ATOM 0 HD11 ILE A 5 0.545 0.052 -0.208 1.00 1.90 H new ATOM 0 HD12 ILE A 5 1.657 0.344 -1.566 1.00 1.90 H new ATOM 0 HD13 ILE A 5 0.262 -0.739 -1.777 1.00 1.90 H new ATOM 84 N PHE A 6 2.203 -3.679 -4.984 1.00 0.57 N ATOM 85 CA PHE A 6 2.881 -4.527 -6.009 1.00 0.60 C ATOM 86 C PHE A 6 4.085 -3.724 -6.503 1.00 0.65 C ATOM 87 O PHE A 6 3.930 -2.848 -7.340 1.00 0.74 O ATOM 88 CB PHE A 6 1.941 -4.789 -7.207 1.00 0.66 C ATOM 89 CG PHE A 6 0.841 -5.816 -6.881 1.00 0.69 C ATOM 90 CD1 PHE A 6 -0.089 -5.582 -5.883 1.00 0.93 C ATOM 91 CD2 PHE A 6 0.738 -6.982 -7.627 1.00 0.94 C ATOM 92 CE1 PHE A 6 -1.100 -6.490 -5.639 1.00 1.05 C ATOM 93 CE2 PHE A 6 -0.270 -7.892 -7.380 1.00 1.00 C ATOM 94 CZ PHE A 6 -1.190 -7.646 -6.385 1.00 0.92 C ATOM 0 H PHE A 6 1.666 -2.901 -5.366 1.00 0.57 H new ATOM 0 HA PHE A 6 3.167 -5.488 -5.581 1.00 0.60 H new ATOM 0 HB2 PHE A 6 1.478 -3.851 -7.513 1.00 0.66 H new ATOM 0 HB3 PHE A 6 2.528 -5.146 -8.053 1.00 0.66 H new ATOM 0 HD1 PHE A 6 -0.023 -4.682 -5.290 1.00 0.93 H new ATOM 0 HD2 PHE A 6 1.455 -7.180 -8.410 1.00 0.94 H new ATOM 0 HE1 PHE A 6 -1.823 -6.294 -4.861 1.00 1.05 H new ATOM 0 HE2 PHE A 6 -0.337 -8.796 -7.967 1.00 1.00 H new ATOM 0 HZ PHE A 6 -1.980 -8.357 -6.190 1.00 0.92 H new ATOM 104 N GLY A 7 5.239 -3.989 -5.938 1.00 0.71 N ATOM 105 CA GLY A 7 6.463 -3.225 -6.355 1.00 0.80 C ATOM 106 C GLY A 7 7.708 -4.121 -6.379 1.00 0.76 C ATOM 107 O GLY A 7 7.610 -5.300 -6.640 1.00 0.90 O ATOM 0 H GLY A 7 5.388 -4.692 -5.214 1.00 0.71 H new ATOM 0 HA2 GLY A 7 6.305 -2.795 -7.344 1.00 0.80 H new ATOM 0 HA3 GLY A 7 6.625 -2.394 -5.668 1.00 0.80 H new ATOM 111 N ARG A 8 8.855 -3.522 -6.176 1.00 0.84 N ATOM 112 CA ARG A 8 10.138 -4.293 -6.164 1.00 1.12 C ATOM 113 C ARG A 8 10.989 -3.832 -4.965 1.00 1.51 C ATOM 114 O ARG A 8 12.093 -4.301 -4.762 1.00 2.14 O ATOM 115 CB ARG A 8 10.886 -4.019 -7.483 1.00 1.29 C ATOM 116 CG ARG A 8 11.538 -5.309 -8.002 1.00 2.23 C ATOM 117 CD ARG A 8 12.913 -5.527 -7.356 1.00 3.46 C ATOM 118 NE ARG A 8 13.485 -6.802 -7.886 1.00 4.19 N ATOM 119 CZ ARG A 8 13.754 -7.789 -7.072 1.00 5.70 C ATOM 120 NH1 ARG A 8 12.839 -8.151 -6.212 1.00 6.54 N ATOM 121 NH2 ARG A 8 14.918 -8.378 -7.164 1.00 6.74 N ATOM 0 H ARG A 8 8.959 -2.520 -6.016 1.00 0.84 H new ATOM 0 HA ARG A 8 9.943 -5.362 -6.071 1.00 1.12 H new ATOM 0 HB2 ARG A 8 10.193 -3.628 -8.228 1.00 1.29 H new ATOM 0 HB3 ARG A 8 11.648 -3.256 -7.325 1.00 1.29 H new ATOM 0 HG2 ARG A 8 10.892 -6.160 -7.786 1.00 2.23 H new ATOM 0 HG3 ARG A 8 11.645 -5.256 -9.085 1.00 2.23 H new ATOM 0 HD2 ARG A 8 13.575 -4.691 -7.582 1.00 3.46 H new ATOM 0 HD3 ARG A 8 12.819 -5.575 -6.271 1.00 3.46 H new ATOM 0 HE ARG A 8 13.666 -6.902 -8.885 1.00 4.19 H new ATOM 0 HH11 ARG A 8 11.942 -7.667 -6.188 1.00 6.54 H new ATOM 0 HH12 ARG A 8 13.022 -8.918 -5.565 1.00 6.54 H new ATOM 0 HH21 ARG A 8 15.594 -8.065 -7.861 1.00 6.74 H new ATOM 0 HH22 ARG A 8 15.150 -9.150 -6.539 1.00 6.74 H new ATOM 135 N SER A 9 10.395 -2.998 -4.149 1.00 2.72 N ATOM 136 CA SER A 9 11.105 -2.432 -2.956 1.00 3.38 C ATOM 137 C SER A 9 12.539 -1.944 -3.287 1.00 2.94 C ATOM 138 O SER A 9 12.975 -1.912 -4.425 1.00 3.30 O ATOM 139 CB SER A 9 11.156 -3.517 -1.870 1.00 4.27 C ATOM 140 OG SER A 9 11.629 -2.843 -0.708 1.00 5.75 O ATOM 0 H SER A 9 9.432 -2.679 -4.259 1.00 2.72 H new ATOM 0 HA SER A 9 10.554 -1.557 -2.612 1.00 3.38 H new ATOM 0 HB2 SER A 9 10.172 -3.955 -1.701 1.00 4.27 H new ATOM 0 HB3 SER A 9 11.823 -4.331 -2.155 1.00 4.27 H new ATOM 0 HG SER A 9 11.687 -3.477 0.037 1.00 5.75 H new ATOM 146 N GLY A 10 13.210 -1.482 -2.265 1.00 3.13 N ATOM 147 CA GLY A 10 14.615 -0.993 -2.440 1.00 3.13 C ATOM 148 C GLY A 10 14.647 0.476 -2.862 1.00 3.31 C ATOM 149 O GLY A 10 15.071 1.333 -2.111 1.00 4.65 O ATOM 0 H GLY A 10 12.847 -1.421 -1.314 1.00 3.13 H new ATOM 0 HA2 GLY A 10 15.164 -1.117 -1.506 1.00 3.13 H new ATOM 0 HA3 GLY A 10 15.122 -1.600 -3.190 1.00 3.13 H new ATOM 153 N CYS A 11 14.165 0.739 -4.047 1.00 2.40 N ATOM 154 CA CYS A 11 14.168 2.146 -4.558 1.00 2.66 C ATOM 155 C CYS A 11 13.362 3.074 -3.633 1.00 2.50 C ATOM 156 O CYS A 11 12.293 2.722 -3.197 1.00 2.50 O ATOM 157 CB CYS A 11 13.566 2.142 -5.971 1.00 2.75 C ATOM 158 SG CYS A 11 12.354 0.849 -6.357 1.00 2.27 S ATOM 0 H CYS A 11 13.770 0.046 -4.683 1.00 2.40 H new ATOM 0 HA CYS A 11 15.190 2.524 -4.583 1.00 2.66 H new ATOM 0 HB2 CYS A 11 13.092 3.109 -6.138 1.00 2.75 H new ATOM 0 HB3 CYS A 11 14.385 2.061 -6.686 1.00 2.75 H new ATOM 163 N PRO A 12 13.884 4.267 -3.379 1.00 2.66 N ATOM 164 CA PRO A 12 13.328 5.173 -2.335 1.00 2.65 C ATOM 165 C PRO A 12 11.826 5.399 -2.546 1.00 2.33 C ATOM 166 O PRO A 12 11.014 5.081 -1.695 1.00 2.45 O ATOM 167 CB PRO A 12 14.126 6.476 -2.496 1.00 3.08 C ATOM 168 CG PRO A 12 14.830 6.383 -3.870 1.00 3.16 C ATOM 169 CD PRO A 12 14.985 4.884 -4.163 1.00 3.01 C ATOM 0 HA PRO A 12 13.421 4.760 -1.330 1.00 2.65 H new ATOM 0 HB2 PRO A 12 13.468 7.344 -2.454 1.00 3.08 H new ATOM 0 HB3 PRO A 12 14.854 6.589 -1.692 1.00 3.08 H new ATOM 0 HG2 PRO A 12 14.241 6.873 -4.645 1.00 3.16 H new ATOM 0 HG3 PRO A 12 15.800 6.879 -3.846 1.00 3.16 H new ATOM 0 HD2 PRO A 12 14.890 4.670 -5.228 1.00 3.01 H new ATOM 0 HD3 PRO A 12 15.960 4.511 -3.849 1.00 3.01 H new ATOM 177 N TYR A 13 11.495 5.964 -3.679 1.00 2.26 N ATOM 178 CA TYR A 13 10.051 6.211 -3.987 1.00 2.06 C ATOM 179 C TYR A 13 9.248 4.932 -3.726 1.00 1.73 C ATOM 180 O TYR A 13 8.247 4.944 -3.036 1.00 1.70 O ATOM 181 CB TYR A 13 9.909 6.635 -5.462 1.00 2.31 C ATOM 182 CG TYR A 13 8.421 6.692 -5.860 1.00 1.44 C ATOM 183 CD1 TYR A 13 7.713 5.531 -6.126 1.00 1.80 C ATOM 184 CD2 TYR A 13 7.761 7.902 -5.941 1.00 2.20 C ATOM 185 CE1 TYR A 13 6.376 5.583 -6.458 1.00 2.60 C ATOM 186 CE2 TYR A 13 6.424 7.951 -6.281 1.00 2.63 C ATOM 187 CZ TYR A 13 5.722 6.790 -6.541 1.00 2.78 C ATOM 188 OH TYR A 13 4.383 6.833 -6.889 1.00 4.00 O ATOM 0 H TYR A 13 12.153 6.263 -4.399 1.00 2.26 H new ATOM 0 HA TYR A 13 9.668 7.007 -3.349 1.00 2.06 H new ATOM 0 HB2 TYR A 13 10.371 7.611 -5.613 1.00 2.31 H new ATOM 0 HB3 TYR A 13 10.437 5.929 -6.103 1.00 2.31 H new ATOM 0 HD1 TYR A 13 8.214 4.576 -6.073 1.00 1.80 H new ATOM 0 HD2 TYR A 13 8.295 8.818 -5.737 1.00 2.20 H new ATOM 0 HE1 TYR A 13 5.837 4.668 -6.655 1.00 2.60 H new ATOM 0 HE2 TYR A 13 5.922 8.905 -6.344 1.00 2.63 H new ATOM 0 HH TYR A 13 4.078 7.764 -6.900 1.00 4.00 H new ATOM 198 N CYS A 14 9.718 3.848 -4.281 1.00 1.64 N ATOM 199 CA CYS A 14 9.010 2.545 -4.098 1.00 1.44 C ATOM 200 C CYS A 14 8.809 2.260 -2.607 1.00 1.05 C ATOM 201 O CYS A 14 7.713 1.985 -2.150 1.00 0.99 O ATOM 202 CB CYS A 14 9.864 1.439 -4.725 1.00 1.66 C ATOM 203 SG CYS A 14 10.548 1.759 -6.369 1.00 2.57 S ATOM 0 H CYS A 14 10.561 3.807 -4.853 1.00 1.64 H new ATOM 0 HA CYS A 14 8.032 2.584 -4.578 1.00 1.44 H new ATOM 0 HB2 CYS A 14 10.693 1.227 -4.049 1.00 1.66 H new ATOM 0 HB3 CYS A 14 9.259 0.534 -4.781 1.00 1.66 H new ATOM 208 N VAL A 15 9.898 2.314 -1.895 1.00 0.90 N ATOM 209 CA VAL A 15 9.876 2.063 -0.430 1.00 0.66 C ATOM 210 C VAL A 15 8.821 2.938 0.268 1.00 0.61 C ATOM 211 O VAL A 15 8.152 2.473 1.171 1.00 0.63 O ATOM 212 CB VAL A 15 11.282 2.344 0.129 1.00 0.82 C ATOM 213 CG1 VAL A 15 11.272 2.233 1.658 1.00 0.89 C ATOM 214 CG2 VAL A 15 12.251 1.285 -0.414 1.00 0.96 C ATOM 0 H VAL A 15 10.820 2.526 -2.275 1.00 0.90 H new ATOM 0 HA VAL A 15 9.602 1.025 -0.240 1.00 0.66 H new ATOM 0 HB VAL A 15 11.588 3.347 -0.168 1.00 0.82 H new ATOM 0 HG11 VAL A 15 12.271 2.434 2.044 1.00 0.89 H new ATOM 0 HG12 VAL A 15 10.571 2.959 2.071 1.00 0.89 H new ATOM 0 HG13 VAL A 15 10.966 1.228 1.948 1.00 0.89 H new ATOM 0 HG21 VAL A 15 13.251 1.474 -0.025 1.00 0.96 H new ATOM 0 HG22 VAL A 15 11.920 0.295 -0.101 1.00 0.96 H new ATOM 0 HG23 VAL A 15 12.270 1.334 -1.503 1.00 0.96 H new ATOM 224 N ARG A 16 8.736 4.194 -0.096 1.00 0.77 N ATOM 225 CA ARG A 16 7.707 5.070 0.565 1.00 0.88 C ATOM 226 C ARG A 16 6.375 4.340 0.777 1.00 0.89 C ATOM 227 O ARG A 16 5.844 4.370 1.862 1.00 1.50 O ATOM 228 CB ARG A 16 7.450 6.341 -0.248 1.00 1.14 C ATOM 229 CG ARG A 16 8.552 7.378 0.032 1.00 1.38 C ATOM 230 CD ARG A 16 8.620 7.715 1.539 1.00 2.02 C ATOM 231 NE ARG A 16 7.239 7.822 2.129 1.00 2.46 N ATOM 232 CZ ARG A 16 6.978 7.246 3.263 1.00 3.04 C ATOM 233 NH1 ARG A 16 7.794 7.444 4.251 1.00 3.72 N ATOM 234 NH2 ARG A 16 5.930 6.488 3.350 1.00 3.84 N ATOM 0 H ARG A 16 9.316 4.646 -0.803 1.00 0.77 H new ATOM 0 HA ARG A 16 8.119 5.336 1.538 1.00 0.88 H new ATOM 0 HB2 ARG A 16 7.425 6.103 -1.311 1.00 1.14 H new ATOM 0 HB3 ARG A 16 6.475 6.756 0.009 1.00 1.14 H new ATOM 0 HG2 ARG A 16 9.515 6.991 -0.302 1.00 1.38 H new ATOM 0 HG3 ARG A 16 8.357 8.285 -0.540 1.00 1.38 H new ATOM 0 HD2 ARG A 16 9.185 6.944 2.063 1.00 2.02 H new ATOM 0 HD3 ARG A 16 9.155 8.654 1.682 1.00 2.02 H new ATOM 0 HE ARG A 16 6.512 8.344 1.640 1.00 2.46 H new ATOM 0 HH11 ARG A 16 8.613 8.038 4.125 1.00 3.72 H new ATOM 0 HH12 ARG A 16 7.617 7.006 5.155 1.00 3.72 H new ATOM 0 HH21 ARG A 16 5.329 6.354 2.537 1.00 3.84 H new ATOM 0 HH22 ARG A 16 5.707 6.026 4.231 1.00 3.84 H new ATOM 248 N ALA A 17 5.843 3.727 -0.253 1.00 0.64 N ATOM 249 CA ALA A 17 4.549 2.991 -0.065 1.00 0.62 C ATOM 250 C ALA A 17 4.638 2.131 1.199 1.00 0.61 C ATOM 251 O ALA A 17 3.822 2.207 2.100 1.00 0.69 O ATOM 252 CB ALA A 17 4.304 2.090 -1.278 1.00 0.65 C ATOM 0 H ALA A 17 6.235 3.702 -1.194 1.00 0.64 H new ATOM 0 HA ALA A 17 3.729 3.702 0.035 1.00 0.62 H new ATOM 0 HB1 ALA A 17 3.365 1.552 -1.148 1.00 0.65 H new ATOM 0 HB2 ALA A 17 4.251 2.700 -2.180 1.00 0.65 H new ATOM 0 HB3 ALA A 17 5.122 1.375 -1.371 1.00 0.65 H new ATOM 258 N LYS A 18 5.679 1.346 1.234 1.00 0.56 N ATOM 259 CA LYS A 18 5.908 0.451 2.395 1.00 0.60 C ATOM 260 C LYS A 18 6.014 1.269 3.692 1.00 0.61 C ATOM 261 O LYS A 18 5.438 0.903 4.692 1.00 0.72 O ATOM 262 CB LYS A 18 7.192 -0.351 2.112 1.00 0.62 C ATOM 263 CG LYS A 18 7.860 -0.804 3.415 1.00 0.94 C ATOM 264 CD LYS A 18 9.027 0.151 3.724 1.00 1.32 C ATOM 265 CE LYS A 18 9.487 -0.057 5.168 1.00 1.76 C ATOM 266 NZ LYS A 18 8.403 0.362 6.095 1.00 1.93 N ATOM 0 H LYS A 18 6.385 1.288 0.500 1.00 0.56 H new ATOM 0 HA LYS A 18 5.072 -0.235 2.532 1.00 0.60 H new ATOM 0 HB2 LYS A 18 6.953 -1.221 1.501 1.00 0.62 H new ATOM 0 HB3 LYS A 18 7.887 0.261 1.537 1.00 0.62 H new ATOM 0 HG2 LYS A 18 7.139 -0.798 4.232 1.00 0.94 H new ATOM 0 HG3 LYS A 18 8.223 -1.827 3.318 1.00 0.94 H new ATOM 0 HD2 LYS A 18 9.853 -0.033 3.038 1.00 1.32 H new ATOM 0 HD3 LYS A 18 8.714 1.185 3.576 1.00 1.32 H new ATOM 0 HE2 LYS A 18 9.738 -1.104 5.334 1.00 1.76 H new ATOM 0 HE3 LYS A 18 10.390 0.522 5.361 1.00 1.76 H new ATOM 0 HZ1 LYS A 18 8.747 1.129 6.707 1.00 1.93 H new ATOM 0 HZ2 LYS A 18 7.587 0.698 5.545 1.00 1.93 H new ATOM 0 HZ3 LYS A 18 8.116 -0.447 6.682 1.00 1.93 H new ATOM 280 N ASP A 19 6.767 2.335 3.668 1.00 0.56 N ATOM 281 CA ASP A 19 6.903 3.170 4.909 1.00 0.62 C ATOM 282 C ASP A 19 5.531 3.739 5.306 1.00 0.59 C ATOM 283 O ASP A 19 5.167 3.688 6.457 1.00 0.63 O ATOM 284 CB ASP A 19 7.920 4.291 4.652 1.00 0.74 C ATOM 285 CG ASP A 19 8.249 5.100 5.920 1.00 2.33 C ATOM 286 OD1 ASP A 19 7.591 4.883 6.914 1.00 3.64 O ATOM 287 OD2 ASP A 19 9.126 5.933 5.806 1.00 3.27 O ATOM 0 H ASP A 19 7.290 2.666 2.857 1.00 0.56 H new ATOM 0 HA ASP A 19 7.263 2.558 5.736 1.00 0.62 H new ATOM 0 HB2 ASP A 19 8.838 3.858 4.254 1.00 0.74 H new ATOM 0 HB3 ASP A 19 7.528 4.963 3.889 1.00 0.74 H new ATOM 292 N LEU A 20 4.786 4.240 4.348 1.00 0.56 N ATOM 293 CA LEU A 20 3.429 4.795 4.676 1.00 0.58 C ATOM 294 C LEU A 20 2.553 3.677 5.221 1.00 0.52 C ATOM 295 O LEU A 20 2.070 3.763 6.331 1.00 0.58 O ATOM 296 CB LEU A 20 2.772 5.399 3.414 1.00 0.63 C ATOM 297 CG LEU A 20 1.235 5.567 3.584 1.00 0.62 C ATOM 298 CD1 LEU A 20 0.902 6.411 4.827 1.00 0.91 C ATOM 299 CD2 LEU A 20 0.658 6.277 2.350 1.00 0.73 C ATOM 0 H LEU A 20 5.053 4.289 3.365 1.00 0.56 H new ATOM 0 HA LEU A 20 3.537 5.582 5.422 1.00 0.58 H new ATOM 0 HB2 LEU A 20 3.222 6.368 3.199 1.00 0.63 H new ATOM 0 HB3 LEU A 20 2.974 4.757 2.557 1.00 0.63 H new ATOM 0 HG LEU A 20 0.799 4.574 3.699 1.00 0.62 H new ATOM 0 HD11 LEU A 20 -0.179 6.511 4.920 1.00 0.91 H new ATOM 0 HD12 LEU A 20 1.299 5.921 5.716 1.00 0.91 H new ATOM 0 HD13 LEU A 20 1.351 7.399 4.727 1.00 0.91 H new ATOM 0 HD21 LEU A 20 -0.419 6.395 2.469 1.00 0.73 H new ATOM 0 HD22 LEU A 20 1.121 7.258 2.245 1.00 0.73 H new ATOM 0 HD23 LEU A 20 0.862 5.682 1.460 1.00 0.73 H new ATOM 311 N ALA A 21 2.364 2.650 4.439 1.00 0.48 N ATOM 312 CA ALA A 21 1.513 1.522 4.916 1.00 0.51 C ATOM 313 C ALA A 21 2.021 1.053 6.278 1.00 0.53 C ATOM 314 O ALA A 21 1.256 0.937 7.214 1.00 0.56 O ATOM 315 CB ALA A 21 1.571 0.364 3.918 1.00 0.63 C ATOM 0 H ALA A 21 2.755 2.542 3.503 1.00 0.48 H new ATOM 0 HA ALA A 21 0.480 1.860 5.004 1.00 0.51 H new ATOM 0 HB1 ALA A 21 0.947 -0.455 4.275 1.00 0.63 H new ATOM 0 HB2 ALA A 21 1.207 0.702 2.947 1.00 0.63 H new ATOM 0 HB3 ALA A 21 2.600 0.019 3.820 1.00 0.63 H new ATOM 321 N GLU A 22 3.300 0.782 6.341 1.00 0.61 N ATOM 322 CA GLU A 22 3.923 0.337 7.620 1.00 0.76 C ATOM 323 C GLU A 22 3.459 1.228 8.754 1.00 0.76 C ATOM 324 O GLU A 22 2.887 0.756 9.728 1.00 0.86 O ATOM 325 CB GLU A 22 5.444 0.447 7.481 1.00 0.91 C ATOM 326 CG GLU A 22 6.152 0.189 8.818 1.00 1.17 C ATOM 327 CD GLU A 22 7.649 0.424 8.613 1.00 1.73 C ATOM 328 OE1 GLU A 22 8.006 1.588 8.445 1.00 3.24 O ATOM 329 OE2 GLU A 22 8.344 -0.572 8.503 1.00 1.76 O ATOM 0 H GLU A 22 3.943 0.851 5.553 1.00 0.61 H new ATOM 0 HA GLU A 22 3.634 -0.692 7.835 1.00 0.76 H new ATOM 0 HB2 GLU A 22 5.795 -0.269 6.738 1.00 0.91 H new ATOM 0 HB3 GLU A 22 5.706 1.440 7.115 1.00 0.91 H new ATOM 0 HG2 GLU A 22 5.764 0.854 9.589 1.00 1.17 H new ATOM 0 HG3 GLU A 22 5.969 -0.831 9.155 1.00 1.17 H new ATOM 336 N LYS A 23 3.751 2.493 8.579 1.00 0.79 N ATOM 337 CA LYS A 23 3.390 3.493 9.587 1.00 0.91 C ATOM 338 C LYS A 23 1.936 3.256 9.977 1.00 0.86 C ATOM 339 O LYS A 23 1.657 2.896 11.094 1.00 1.16 O ATOM 340 CB LYS A 23 3.592 4.871 8.942 1.00 1.00 C ATOM 341 CG LYS A 23 4.232 5.872 9.928 1.00 1.51 C ATOM 342 CD LYS A 23 5.765 5.982 9.735 1.00 3.09 C ATOM 343 CE LYS A 23 6.446 4.636 10.018 1.00 5.08 C ATOM 344 NZ LYS A 23 6.380 3.745 8.828 1.00 6.34 N ATOM 0 H LYS A 23 4.233 2.865 7.761 1.00 0.79 H new ATOM 0 HA LYS A 23 3.999 3.430 10.489 1.00 0.91 H new ATOM 0 HB2 LYS A 23 4.226 4.771 8.061 1.00 1.00 H new ATOM 0 HB3 LYS A 23 2.632 5.258 8.602 1.00 1.00 H new ATOM 0 HG2 LYS A 23 3.779 6.854 9.792 1.00 1.51 H new ATOM 0 HG3 LYS A 23 4.017 5.561 10.950 1.00 1.51 H new ATOM 0 HD2 LYS A 23 5.986 6.300 8.716 1.00 3.09 H new ATOM 0 HD3 LYS A 23 6.166 6.745 10.401 1.00 3.09 H new ATOM 0 HE2 LYS A 23 7.487 4.802 10.295 1.00 5.08 H new ATOM 0 HE3 LYS A 23 5.964 4.152 10.867 1.00 5.08 H new ATOM 0 HZ1 LYS A 23 7.256 3.188 8.762 1.00 6.34 H new ATOM 0 HZ2 LYS A 23 5.567 3.102 8.920 1.00 6.34 H new ATOM 0 HZ3 LYS A 23 6.270 4.321 7.969 1.00 6.34 H new ATOM 358 N LEU A 24 1.052 3.359 9.026 1.00 0.63 N ATOM 359 CA LEU A 24 -0.380 3.148 9.370 1.00 0.64 C ATOM 360 C LEU A 24 -0.604 1.843 10.136 1.00 0.63 C ATOM 361 O LEU A 24 -1.210 1.855 11.174 1.00 0.79 O ATOM 362 CB LEU A 24 -1.242 3.091 8.111 1.00 0.60 C ATOM 363 CG LEU A 24 -1.136 4.372 7.294 1.00 0.80 C ATOM 364 CD1 LEU A 24 -2.143 4.252 6.157 1.00 0.95 C ATOM 365 CD2 LEU A 24 -1.477 5.604 8.146 1.00 1.39 C ATOM 0 H LEU A 24 1.251 3.575 8.049 1.00 0.63 H new ATOM 0 HA LEU A 24 -0.664 3.993 9.997 1.00 0.64 H new ATOM 0 HB2 LEU A 24 -0.935 2.243 7.499 1.00 0.60 H new ATOM 0 HB3 LEU A 24 -2.282 2.923 8.390 1.00 0.60 H new ATOM 0 HG LEU A 24 -0.118 4.498 6.926 1.00 0.80 H new ATOM 0 HD11 LEU A 24 -2.105 5.150 5.541 1.00 0.95 H new ATOM 0 HD12 LEU A 24 -1.900 3.382 5.546 1.00 0.95 H new ATOM 0 HD13 LEU A 24 -3.145 4.138 6.569 1.00 0.95 H new ATOM 0 HD21 LEU A 24 -1.393 6.503 7.536 1.00 1.39 H new ATOM 0 HD22 LEU A 24 -2.496 5.515 8.522 1.00 1.39 H new ATOM 0 HD23 LEU A 24 -0.785 5.669 8.985 1.00 1.39 H new ATOM 377 N SER A 25 -0.115 0.743 9.634 1.00 0.58 N ATOM 378 CA SER A 25 -0.366 -0.548 10.356 1.00 0.70 C ATOM 379 C SER A 25 0.322 -0.653 11.730 1.00 1.19 C ATOM 380 O SER A 25 0.326 -1.711 12.330 1.00 1.86 O ATOM 381 CB SER A 25 0.055 -1.719 9.450 1.00 1.18 C ATOM 382 OG SER A 25 1.349 -1.385 8.966 1.00 1.40 O ATOM 0 H SER A 25 0.435 0.675 8.777 1.00 0.58 H new ATOM 0 HA SER A 25 -1.434 -0.586 10.570 1.00 0.70 H new ATOM 0 HB2 SER A 25 0.075 -2.656 10.006 1.00 1.18 H new ATOM 0 HB3 SER A 25 -0.649 -1.851 8.628 1.00 1.18 H new ATOM 0 HG SER A 25 1.730 -0.670 9.517 1.00 1.40 H new ATOM 388 N ASN A 26 0.883 0.437 12.180 1.00 1.06 N ATOM 389 CA ASN A 26 1.553 0.481 13.517 1.00 1.53 C ATOM 390 C ASN A 26 0.932 1.641 14.313 1.00 1.65 C ATOM 391 O ASN A 26 0.715 1.545 15.506 1.00 2.19 O ATOM 392 CB ASN A 26 3.061 0.687 13.323 1.00 1.73 C ATOM 393 CG ASN A 26 3.712 -0.659 12.989 1.00 2.81 C ATOM 394 OD1 ASN A 26 4.102 -1.402 13.862 1.00 3.10 O ATOM 395 ND2 ASN A 26 3.833 -1.023 11.747 1.00 4.04 N ATOM 0 H ASN A 26 0.907 1.319 11.668 1.00 1.06 H new ATOM 0 HA ASN A 26 1.411 -0.452 14.063 1.00 1.53 H new ATOM 0 HB2 ASN A 26 3.243 1.402 12.521 1.00 1.73 H new ATOM 0 HB3 ASN A 26 3.503 1.104 14.228 1.00 1.73 H new ATOM 0 HD21 ASN A 26 4.252 -1.924 11.518 1.00 4.04 H new ATOM 0 HD22 ASN A 26 3.509 -0.407 11.001 1.00 4.04 H new ATOM 402 N GLU A 27 0.689 2.719 13.607 1.00 1.58 N ATOM 403 CA GLU A 27 0.057 3.940 14.204 1.00 1.83 C ATOM 404 C GLU A 27 -1.441 3.677 14.414 1.00 1.93 C ATOM 405 O GLU A 27 -2.076 4.208 15.308 1.00 2.32 O ATOM 406 CB GLU A 27 0.185 5.111 13.211 1.00 1.79 C ATOM 407 CG GLU A 27 1.656 5.480 12.956 1.00 2.55 C ATOM 408 CD GLU A 27 1.740 6.420 11.741 1.00 2.66 C ATOM 409 OE1 GLU A 27 1.351 5.956 10.676 1.00 3.40 O ATOM 410 OE2 GLU A 27 2.208 7.535 11.941 1.00 2.95 O ATOM 0 H GLU A 27 0.908 2.806 12.615 1.00 1.58 H new ATOM 0 HA GLU A 27 0.548 4.175 15.148 1.00 1.83 H new ATOM 0 HB2 GLU A 27 -0.292 4.843 12.268 1.00 1.79 H new ATOM 0 HB3 GLU A 27 -0.346 5.979 13.601 1.00 1.79 H new ATOM 0 HG2 GLU A 27 2.079 5.965 13.836 1.00 2.55 H new ATOM 0 HG3 GLU A 27 2.243 4.579 12.775 1.00 2.55 H new ATOM 417 N ARG A 28 -1.975 2.872 13.533 1.00 1.71 N ATOM 418 CA ARG A 28 -3.431 2.524 13.580 1.00 1.83 C ATOM 419 C ARG A 28 -3.655 1.051 13.977 1.00 1.90 C ATOM 420 O ARG A 28 -2.738 0.371 14.399 1.00 2.64 O ATOM 421 CB ARG A 28 -4.031 2.772 12.185 1.00 1.72 C ATOM 422 CG ARG A 28 -4.088 4.281 11.880 1.00 2.15 C ATOM 423 CD ARG A 28 -4.909 4.516 10.598 1.00 1.86 C ATOM 424 NE ARG A 28 -6.303 4.949 10.947 1.00 2.35 N ATOM 425 CZ ARG A 28 -7.222 4.052 11.206 1.00 3.38 C ATOM 426 NH1 ARG A 28 -7.066 3.279 12.252 1.00 4.63 N ATOM 427 NH2 ARG A 28 -8.254 3.972 10.421 1.00 4.23 N ATOM 0 H ARG A 28 -1.458 2.433 12.771 1.00 1.71 H new ATOM 0 HA ARG A 28 -3.915 3.146 14.333 1.00 1.83 H new ATOM 0 HB2 ARG A 28 -3.431 2.265 11.430 1.00 1.72 H new ATOM 0 HB3 ARG A 28 -5.033 2.347 12.133 1.00 1.72 H new ATOM 0 HG2 ARG A 28 -4.539 4.815 12.716 1.00 2.15 H new ATOM 0 HG3 ARG A 28 -3.080 4.676 11.756 1.00 2.15 H new ATOM 0 HD2 ARG A 28 -4.427 5.276 9.983 1.00 1.86 H new ATOM 0 HD3 ARG A 28 -4.942 3.601 10.006 1.00 1.86 H new ATOM 0 HE ARG A 28 -6.535 5.942 10.983 1.00 2.35 H new ATOM 0 HH11 ARG A 28 -6.242 3.383 12.845 1.00 4.63 H new ATOM 0 HH12 ARG A 28 -7.768 2.573 12.474 1.00 4.63 H new ATOM 0 HH21 ARG A 28 -8.337 4.600 9.622 1.00 4.23 H new ATOM 0 HH22 ARG A 28 -8.982 3.281 10.604 1.00 4.23 H new ATOM 441 N ASP A 29 -4.894 0.622 13.861 1.00 1.73 N ATOM 442 CA ASP A 29 -5.274 -0.784 14.205 1.00 1.90 C ATOM 443 C ASP A 29 -5.994 -1.485 13.033 1.00 1.37 C ATOM 444 O ASP A 29 -5.626 -2.580 12.647 1.00 1.90 O ATOM 445 CB ASP A 29 -6.192 -0.777 15.451 1.00 2.57 C ATOM 446 CG ASP A 29 -7.394 0.184 15.325 1.00 2.86 C ATOM 447 OD1 ASP A 29 -7.397 0.996 14.390 1.00 3.51 O ATOM 448 OD2 ASP A 29 -8.231 0.077 16.208 1.00 3.69 O ATOM 0 H ASP A 29 -5.669 1.200 13.536 1.00 1.73 H new ATOM 0 HA ASP A 29 -4.360 -1.340 14.414 1.00 1.90 H new ATOM 0 HB2 ASP A 29 -6.562 -1.787 15.626 1.00 2.57 H new ATOM 0 HB3 ASP A 29 -5.603 -0.497 16.325 1.00 2.57 H new ATOM 453 N ASP A 30 -6.979 -0.847 12.456 1.00 1.12 N ATOM 454 CA ASP A 30 -7.704 -1.510 11.330 1.00 1.13 C ATOM 455 C ASP A 30 -6.831 -1.536 10.077 1.00 1.02 C ATOM 456 O ASP A 30 -7.038 -2.363 9.207 1.00 1.57 O ATOM 457 CB ASP A 30 -9.011 -0.757 11.025 1.00 1.67 C ATOM 458 CG ASP A 30 -8.712 0.682 10.608 1.00 3.40 C ATOM 459 OD1 ASP A 30 -8.232 0.843 9.500 1.00 3.86 O ATOM 460 OD2 ASP A 30 -8.973 1.548 11.423 1.00 4.84 O ATOM 0 H ASP A 30 -7.308 0.085 12.708 1.00 1.12 H new ATOM 0 HA ASP A 30 -7.936 -2.533 11.626 1.00 1.13 H new ATOM 0 HB2 ASP A 30 -9.555 -1.267 10.230 1.00 1.67 H new ATOM 0 HB3 ASP A 30 -9.654 -0.761 11.905 1.00 1.67 H new ATOM 465 N PHE A 31 -5.859 -0.663 10.021 1.00 1.13 N ATOM 466 CA PHE A 31 -4.980 -0.648 8.824 1.00 0.95 C ATOM 467 C PHE A 31 -3.842 -1.655 8.929 1.00 0.98 C ATOM 468 O PHE A 31 -3.052 -1.634 9.846 1.00 1.12 O ATOM 469 CB PHE A 31 -4.345 0.718 8.609 1.00 0.91 C ATOM 470 CG PHE A 31 -3.601 0.666 7.267 1.00 0.67 C ATOM 471 CD1 PHE A 31 -4.248 0.974 6.089 1.00 0.67 C ATOM 472 CD2 PHE A 31 -2.282 0.256 7.218 1.00 0.62 C ATOM 473 CE1 PHE A 31 -3.588 0.887 4.884 1.00 0.66 C ATOM 474 CE2 PHE A 31 -1.623 0.160 6.015 1.00 0.52 C ATOM 475 CZ PHE A 31 -2.275 0.479 4.847 1.00 0.57 C ATOM 0 H PHE A 31 -5.641 0.027 10.740 1.00 1.13 H new ATOM 0 HA PHE A 31 -5.632 -0.906 7.989 1.00 0.95 H new ATOM 0 HB2 PHE A 31 -5.106 1.498 8.597 1.00 0.91 H new ATOM 0 HB3 PHE A 31 -3.658 0.955 9.421 1.00 0.91 H new ATOM 0 HD1 PHE A 31 -5.282 1.286 6.112 1.00 0.67 H new ATOM 0 HD2 PHE A 31 -1.764 0.009 8.133 1.00 0.62 H new ATOM 0 HE1 PHE A 31 -4.101 1.139 3.968 1.00 0.66 H new ATOM 0 HE2 PHE A 31 -0.594 -0.166 5.987 1.00 0.52 H new ATOM 0 HZ PHE A 31 -1.757 0.409 3.902 1.00 0.57 H new ATOM 485 N GLN A 32 -3.793 -2.492 7.934 1.00 1.11 N ATOM 486 CA GLN A 32 -2.738 -3.544 7.830 1.00 1.13 C ATOM 487 C GLN A 32 -2.308 -3.599 6.352 1.00 1.01 C ATOM 488 O GLN A 32 -3.011 -3.074 5.508 1.00 1.48 O ATOM 489 CB GLN A 32 -3.330 -4.898 8.246 1.00 1.22 C ATOM 490 CG GLN A 32 -4.197 -4.724 9.507 1.00 1.58 C ATOM 491 CD GLN A 32 -4.999 -5.996 9.765 1.00 1.91 C ATOM 492 OE1 GLN A 32 -5.448 -6.643 8.842 1.00 2.55 O ATOM 493 NE2 GLN A 32 -5.250 -6.356 10.983 1.00 2.68 N ATOM 0 H GLN A 32 -4.460 -2.493 7.163 1.00 1.11 H new ATOM 0 HA GLN A 32 -1.889 -3.321 8.476 1.00 1.13 H new ATOM 0 HB2 GLN A 32 -3.931 -5.307 7.434 1.00 1.22 H new ATOM 0 HB3 GLN A 32 -2.529 -5.611 8.440 1.00 1.22 H new ATOM 0 HG2 GLN A 32 -3.564 -4.502 10.366 1.00 1.58 H new ATOM 0 HG3 GLN A 32 -4.872 -3.877 9.381 1.00 1.58 H new ATOM 0 HE21 GLN A 32 -4.875 -5.815 11.762 1.00 2.68 H new ATOM 0 HE22 GLN A 32 -5.823 -7.180 11.163 1.00 2.68 H new ATOM 502 N TYR A 33 -1.180 -4.188 6.035 1.00 0.68 N ATOM 503 CA TYR A 33 -0.791 -4.261 4.589 1.00 0.59 C ATOM 504 C TYR A 33 0.219 -5.381 4.361 1.00 0.60 C ATOM 505 O TYR A 33 0.828 -5.863 5.292 1.00 0.68 O ATOM 506 CB TYR A 33 -0.163 -2.938 4.125 1.00 0.73 C ATOM 507 CG TYR A 33 1.296 -2.837 4.580 1.00 0.84 C ATOM 508 CD1 TYR A 33 1.620 -2.664 5.911 1.00 0.85 C ATOM 509 CD2 TYR A 33 2.316 -2.932 3.652 1.00 1.12 C ATOM 510 CE1 TYR A 33 2.938 -2.587 6.304 1.00 1.11 C ATOM 511 CE2 TYR A 33 3.633 -2.852 4.045 1.00 1.34 C ATOM 512 CZ TYR A 33 3.955 -2.677 5.374 1.00 1.32 C ATOM 513 OH TYR A 33 5.275 -2.591 5.759 1.00 1.65 O ATOM 0 H TYR A 33 -0.526 -4.611 6.694 1.00 0.68 H new ATOM 0 HA TYR A 33 -1.697 -4.457 4.016 1.00 0.59 H new ATOM 0 HB2 TYR A 33 -0.215 -2.867 3.039 1.00 0.73 H new ATOM 0 HB3 TYR A 33 -0.732 -2.100 4.527 1.00 0.73 H new ATOM 0 HD1 TYR A 33 0.835 -2.589 6.649 1.00 0.85 H new ATOM 0 HD2 TYR A 33 2.077 -3.070 2.608 1.00 1.12 H new ATOM 0 HE1 TYR A 33 3.178 -2.455 7.349 1.00 1.11 H new ATOM 0 HE2 TYR A 33 4.419 -2.927 3.308 1.00 1.34 H new ATOM 0 HH TYR A 33 5.852 -2.676 4.971 1.00 1.65 H new ATOM 523 N GLN A 34 0.361 -5.752 3.122 1.00 0.56 N ATOM 524 CA GLN A 34 1.339 -6.796 2.738 1.00 0.59 C ATOM 525 C GLN A 34 2.190 -6.231 1.594 1.00 0.55 C ATOM 526 O GLN A 34 1.741 -5.350 0.869 1.00 0.58 O ATOM 527 CB GLN A 34 0.589 -8.043 2.246 1.00 0.65 C ATOM 528 CG GLN A 34 -0.050 -7.760 0.875 1.00 2.65 C ATOM 529 CD GLN A 34 -0.747 -9.012 0.343 1.00 3.73 C ATOM 530 OE1 GLN A 34 -0.273 -9.597 -0.722 1.00 4.71 O flip ATOM 531 NE2 GLN A 34 -1.725 -9.471 0.887 1.00 4.40 N flip ATOM 0 H GLN A 34 -0.173 -5.365 2.344 1.00 0.56 H new ATOM 0 HA GLN A 34 1.964 -7.071 3.588 1.00 0.59 H new ATOM 0 HB2 GLN A 34 1.276 -8.886 2.170 1.00 0.65 H new ATOM 0 HB3 GLN A 34 -0.181 -8.323 2.965 1.00 0.65 H new ATOM 0 HG2 GLN A 34 -0.769 -6.946 0.963 1.00 2.65 H new ATOM 0 HG3 GLN A 34 0.715 -7.435 0.170 1.00 2.65 H new ATOM 0 HE21 GLN A 34 -2.103 -9.021 1.720 1.00 4.40 H new ATOM 0 HE22 GLN A 34 -2.171 -10.308 0.512 1.00 4.40 H new ATOM 540 N TYR A 35 3.365 -6.761 1.408 1.00 0.62 N ATOM 541 CA TYR A 35 4.198 -6.242 0.289 1.00 0.64 C ATOM 542 C TYR A 35 4.383 -7.366 -0.710 1.00 0.55 C ATOM 543 O TYR A 35 4.799 -8.451 -0.355 1.00 0.56 O ATOM 544 CB TYR A 35 5.579 -5.756 0.762 1.00 0.77 C ATOM 545 CG TYR A 35 6.218 -4.944 -0.386 1.00 0.91 C ATOM 546 CD1 TYR A 35 6.723 -5.576 -1.510 1.00 1.25 C ATOM 547 CD2 TYR A 35 6.201 -3.562 -0.360 1.00 0.97 C ATOM 548 CE1 TYR A 35 7.186 -4.843 -2.590 1.00 1.48 C ATOM 549 CE2 TYR A 35 6.665 -2.830 -1.439 1.00 1.19 C ATOM 550 CZ TYR A 35 7.157 -3.462 -2.566 1.00 1.39 C ATOM 551 OH TYR A 35 7.584 -2.715 -3.656 1.00 1.70 O ATOM 0 H TYR A 35 3.777 -7.510 1.964 1.00 0.62 H new ATOM 0 HA TYR A 35 3.689 -5.385 -0.153 1.00 0.64 H new ATOM 0 HB2 TYR A 35 5.481 -5.140 1.656 1.00 0.77 H new ATOM 0 HB3 TYR A 35 6.211 -6.604 1.027 1.00 0.77 H new ATOM 0 HD1 TYR A 35 6.756 -6.655 -1.545 1.00 1.25 H new ATOM 0 HD2 TYR A 35 5.822 -3.048 0.511 1.00 0.97 H new ATOM 0 HE1 TYR A 35 7.573 -5.355 -3.458 1.00 1.48 H new ATOM 0 HE2 TYR A 35 6.642 -1.751 -1.400 1.00 1.19 H new ATOM 0 HH TYR A 35 7.489 -1.760 -3.456 1.00 1.70 H new ATOM 561 N VAL A 36 4.065 -7.058 -1.931 1.00 0.67 N ATOM 562 CA VAL A 36 4.196 -8.031 -3.032 1.00 0.63 C ATOM 563 C VAL A 36 5.295 -7.496 -3.954 1.00 0.62 C ATOM 564 O VAL A 36 5.287 -6.324 -4.315 1.00 0.82 O ATOM 565 CB VAL A 36 2.811 -8.125 -3.718 1.00 0.64 C ATOM 566 CG1 VAL A 36 2.946 -8.270 -5.241 1.00 0.59 C ATOM 567 CG2 VAL A 36 2.081 -9.357 -3.172 1.00 0.72 C ATOM 0 H VAL A 36 3.710 -6.145 -2.215 1.00 0.67 H new ATOM 0 HA VAL A 36 4.477 -9.035 -2.715 1.00 0.63 H new ATOM 0 HB VAL A 36 2.258 -7.210 -3.508 1.00 0.64 H new ATOM 0 HG11 VAL A 36 1.955 -8.333 -5.690 1.00 0.59 H new ATOM 0 HG12 VAL A 36 3.472 -7.404 -5.644 1.00 0.59 H new ATOM 0 HG13 VAL A 36 3.507 -9.175 -5.472 1.00 0.59 H new ATOM 0 HG21 VAL A 36 1.102 -9.439 -3.645 1.00 0.72 H new ATOM 0 HG22 VAL A 36 2.665 -10.252 -3.389 1.00 0.72 H new ATOM 0 HG23 VAL A 36 1.956 -9.258 -2.094 1.00 0.72 H new ATOM 577 N ASP A 37 6.207 -8.360 -4.309 1.00 0.49 N ATOM 578 CA ASP A 37 7.351 -7.950 -5.188 1.00 0.54 C ATOM 579 C ASP A 37 7.143 -8.564 -6.568 1.00 0.55 C ATOM 580 O ASP A 37 7.255 -9.764 -6.727 1.00 0.86 O ATOM 581 CB ASP A 37 8.662 -8.470 -4.572 1.00 0.63 C ATOM 582 CG ASP A 37 9.890 -8.023 -5.379 1.00 0.87 C ATOM 583 OD1 ASP A 37 10.037 -8.514 -6.483 1.00 1.49 O ATOM 584 OD2 ASP A 37 10.645 -7.230 -4.840 1.00 1.90 O ATOM 0 H ASP A 37 6.213 -9.341 -4.028 1.00 0.49 H new ATOM 0 HA ASP A 37 7.402 -6.865 -5.275 1.00 0.54 H new ATOM 0 HB2 ASP A 37 8.750 -8.109 -3.547 1.00 0.63 H new ATOM 0 HB3 ASP A 37 8.635 -9.559 -4.525 1.00 0.63 H new ATOM 589 N ILE A 38 6.854 -7.741 -7.543 1.00 0.58 N ATOM 590 CA ILE A 38 6.606 -8.269 -8.921 1.00 0.64 C ATOM 591 C ILE A 38 7.624 -9.328 -9.368 1.00 0.70 C ATOM 592 O ILE A 38 7.301 -10.161 -10.202 1.00 0.88 O ATOM 593 CB ILE A 38 6.594 -7.119 -9.939 1.00 0.78 C ATOM 594 CG1 ILE A 38 7.790 -6.188 -9.699 1.00 1.04 C ATOM 595 CG2 ILE A 38 5.279 -6.337 -9.799 1.00 0.93 C ATOM 596 CD1 ILE A 38 8.151 -5.463 -11.005 1.00 1.13 C ATOM 0 H ILE A 38 6.779 -6.728 -7.446 1.00 0.58 H new ATOM 0 HA ILE A 38 5.632 -8.758 -8.882 1.00 0.64 H new ATOM 0 HB ILE A 38 6.670 -7.526 -10.947 1.00 0.78 H new ATOM 0 HG12 ILE A 38 7.548 -5.462 -8.923 1.00 1.04 H new ATOM 0 HG13 ILE A 38 8.645 -6.763 -9.342 1.00 1.04 H new ATOM 0 HG21 ILE A 38 5.264 -5.519 -10.519 1.00 0.93 H new ATOM 0 HG22 ILE A 38 4.437 -7.003 -9.989 1.00 0.93 H new ATOM 0 HG23 ILE A 38 5.201 -5.933 -8.789 1.00 0.93 H new ATOM 0 HD11 ILE A 38 9.001 -4.803 -10.832 1.00 1.13 H new ATOM 0 HD12 ILE A 38 8.411 -6.196 -11.768 1.00 1.13 H new ATOM 0 HD13 ILE A 38 7.297 -4.875 -11.343 1.00 1.13 H new ATOM 608 N ARG A 39 8.815 -9.308 -8.817 1.00 0.71 N ATOM 609 CA ARG A 39 9.807 -10.329 -9.255 1.00 0.85 C ATOM 610 C ARG A 39 9.719 -11.550 -8.346 1.00 0.86 C ATOM 611 O ARG A 39 9.667 -12.664 -8.839 1.00 1.16 O ATOM 612 CB ARG A 39 11.237 -9.759 -9.227 1.00 0.98 C ATOM 613 CG ARG A 39 11.267 -8.295 -9.706 1.00 2.49 C ATOM 614 CD ARG A 39 10.471 -8.090 -11.008 1.00 4.21 C ATOM 615 NE ARG A 39 10.810 -9.147 -12.010 1.00 5.22 N ATOM 616 CZ ARG A 39 9.840 -9.854 -12.523 1.00 6.55 C ATOM 617 NH1 ARG A 39 8.876 -9.229 -13.114 1.00 7.95 N ATOM 618 NH2 ARG A 39 9.850 -11.140 -12.392 1.00 6.97 N ATOM 0 H ARG A 39 9.132 -8.650 -8.106 1.00 0.71 H new ATOM 0 HA ARG A 39 9.576 -10.617 -10.281 1.00 0.85 H new ATOM 0 HB2 ARG A 39 11.635 -9.820 -8.214 1.00 0.98 H new ATOM 0 HB3 ARG A 39 11.884 -10.365 -9.861 1.00 0.98 H new ATOM 0 HG2 ARG A 39 10.857 -7.652 -8.927 1.00 2.49 H new ATOM 0 HG3 ARG A 39 12.301 -7.987 -9.863 1.00 2.49 H new ATOM 0 HD2 ARG A 39 9.403 -8.115 -10.794 1.00 4.21 H new ATOM 0 HD3 ARG A 39 10.690 -7.106 -11.422 1.00 4.21 H new ATOM 0 HE ARG A 39 11.778 -9.312 -12.287 1.00 5.22 H new ATOM 0 HH11 ARG A 39 8.887 -8.211 -13.170 1.00 7.95 H new ATOM 0 HH12 ARG A 39 8.104 -9.754 -13.525 1.00 7.95 H new ATOM 0 HH21 ARG A 39 10.612 -11.596 -11.890 1.00 6.97 H new ATOM 0 HH22 ARG A 39 9.095 -11.699 -12.790 1.00 6.97 H new ATOM 632 N ALA A 40 9.726 -11.331 -7.054 1.00 1.14 N ATOM 633 CA ALA A 40 9.622 -12.491 -6.111 1.00 1.29 C ATOM 634 C ALA A 40 8.404 -13.324 -6.504 1.00 1.34 C ATOM 635 O ALA A 40 8.444 -14.537 -6.526 1.00 1.48 O ATOM 636 CB ALA A 40 9.415 -11.998 -4.679 1.00 1.31 C ATOM 0 H ALA A 40 9.798 -10.413 -6.615 1.00 1.14 H new ATOM 0 HA ALA A 40 10.540 -13.077 -6.164 1.00 1.29 H new ATOM 0 HB1 ALA A 40 9.341 -12.853 -4.007 1.00 1.31 H new ATOM 0 HB2 ALA A 40 10.259 -11.375 -4.383 1.00 1.31 H new ATOM 0 HB3 ALA A 40 8.496 -11.414 -4.625 1.00 1.31 H new ATOM 642 N GLU A 41 7.357 -12.618 -6.843 1.00 1.25 N ATOM 643 CA GLU A 41 6.082 -13.270 -7.246 1.00 1.35 C ATOM 644 C GLU A 41 6.091 -13.593 -8.747 1.00 1.34 C ATOM 645 O GLU A 41 5.051 -13.720 -9.348 1.00 1.65 O ATOM 646 CB GLU A 41 4.940 -12.286 -6.948 1.00 1.38 C ATOM 647 CG GLU A 41 4.883 -11.960 -5.440 1.00 1.83 C ATOM 648 CD GLU A 41 4.458 -13.200 -4.644 1.00 2.42 C ATOM 649 OE1 GLU A 41 3.477 -13.796 -5.058 1.00 2.79 O ATOM 650 OE2 GLU A 41 5.130 -13.472 -3.660 1.00 3.64 O ATOM 0 H GLU A 41 7.335 -11.598 -6.857 1.00 1.25 H new ATOM 0 HA GLU A 41 5.953 -14.202 -6.696 1.00 1.35 H new ATOM 0 HB2 GLU A 41 5.085 -11.369 -7.519 1.00 1.38 H new ATOM 0 HB3 GLU A 41 3.991 -12.714 -7.269 1.00 1.38 H new ATOM 0 HG2 GLU A 41 5.859 -11.617 -5.098 1.00 1.83 H new ATOM 0 HG3 GLU A 41 4.179 -11.147 -5.263 1.00 1.83 H new ATOM 657 N GLY A 42 7.268 -13.774 -9.295 1.00 1.89 N ATOM 658 CA GLY A 42 7.426 -14.095 -10.756 1.00 1.97 C ATOM 659 C GLY A 42 6.257 -13.608 -11.626 1.00 2.04 C ATOM 660 O GLY A 42 5.635 -14.391 -12.317 1.00 2.39 O ATOM 0 H GLY A 42 8.148 -13.712 -8.782 1.00 1.89 H new ATOM 0 HA2 GLY A 42 8.350 -13.645 -11.120 1.00 1.97 H new ATOM 0 HA3 GLY A 42 7.529 -15.174 -10.873 1.00 1.97 H new ATOM 664 N ILE A 43 6.025 -12.315 -11.608 1.00 1.80 N ATOM 665 CA ILE A 43 4.909 -11.754 -12.430 1.00 2.01 C ATOM 666 C ILE A 43 5.504 -11.075 -13.658 1.00 2.14 C ATOM 667 O ILE A 43 6.685 -10.761 -13.685 1.00 2.13 O ATOM 668 CB ILE A 43 4.133 -10.696 -11.614 1.00 1.79 C ATOM 669 CG1 ILE A 43 3.732 -11.282 -10.256 1.00 1.74 C ATOM 670 CG2 ILE A 43 2.867 -10.261 -12.381 1.00 2.18 C ATOM 671 CD1 ILE A 43 2.927 -10.250 -9.449 1.00 1.53 C ATOM 0 H ILE A 43 6.555 -11.633 -11.066 1.00 1.80 H new ATOM 0 HA ILE A 43 4.233 -12.558 -12.720 1.00 2.01 H new ATOM 0 HB ILE A 43 4.774 -9.828 -11.460 1.00 1.79 H new ATOM 0 HG12 ILE A 43 3.138 -12.184 -10.402 1.00 1.74 H new ATOM 0 HG13 ILE A 43 4.623 -11.574 -9.700 1.00 1.74 H new ATOM 0 HG21 ILE A 43 2.327 -9.515 -11.798 1.00 2.18 H new ATOM 0 HG22 ILE A 43 3.153 -9.833 -13.342 1.00 2.18 H new ATOM 0 HG23 ILE A 43 2.226 -11.127 -12.546 1.00 2.18 H new ATOM 0 HD11 ILE A 43 2.648 -10.678 -8.486 1.00 1.53 H new ATOM 0 HD12 ILE A 43 3.535 -9.360 -9.288 1.00 1.53 H new ATOM 0 HD13 ILE A 43 2.027 -9.979 -10.000 1.00 1.53 H new ATOM 683 N THR A 44 4.696 -10.861 -14.641 1.00 2.37 N ATOM 684 CA THR A 44 5.202 -10.178 -15.858 1.00 2.59 C ATOM 685 C THR A 44 4.513 -8.811 -15.945 1.00 2.64 C ATOM 686 O THR A 44 3.870 -8.385 -15.005 1.00 2.89 O ATOM 687 CB THR A 44 4.939 -11.047 -17.065 1.00 2.88 C ATOM 688 OG1 THR A 44 5.517 -10.351 -18.166 1.00 3.01 O ATOM 689 CG2 THR A 44 3.467 -11.094 -17.298 1.00 3.00 C ATOM 0 H THR A 44 3.711 -11.125 -14.661 1.00 2.37 H new ATOM 0 HA THR A 44 6.279 -10.017 -15.818 1.00 2.59 H new ATOM 0 HB THR A 44 5.337 -12.054 -16.938 1.00 2.88 H new ATOM 0 HG1 THR A 44 4.866 -10.297 -18.897 1.00 3.01 H new ATOM 0 HG21 THR A 44 3.256 -11.718 -18.167 1.00 3.00 H new ATOM 0 HG22 THR A 44 2.973 -11.514 -16.422 1.00 3.00 H new ATOM 0 HG23 THR A 44 3.094 -10.085 -17.476 1.00 3.00 H new ATOM 697 N LYS A 45 4.634 -8.154 -17.055 1.00 2.80 N ATOM 698 CA LYS A 45 3.974 -6.817 -17.174 1.00 2.88 C ATOM 699 C LYS A 45 2.494 -6.996 -17.536 1.00 2.93 C ATOM 700 O LYS A 45 1.629 -6.365 -16.955 1.00 3.08 O ATOM 701 CB LYS A 45 4.706 -5.992 -18.251 1.00 3.22 C ATOM 702 CG LYS A 45 3.890 -4.726 -18.565 1.00 3.55 C ATOM 703 CD LYS A 45 4.787 -3.588 -19.088 1.00 3.68 C ATOM 704 CE LYS A 45 5.450 -3.953 -20.434 1.00 4.89 C ATOM 705 NZ LYS A 45 5.997 -2.719 -21.102 1.00 5.60 N ATOM 0 H LYS A 45 5.150 -8.470 -17.877 1.00 2.80 H new ATOM 0 HA LYS A 45 4.028 -6.288 -16.222 1.00 2.88 H new ATOM 0 HB2 LYS A 45 5.702 -5.719 -17.902 1.00 3.22 H new ATOM 0 HB3 LYS A 45 4.837 -6.587 -19.155 1.00 3.22 H new ATOM 0 HG2 LYS A 45 3.127 -4.959 -19.308 1.00 3.55 H new ATOM 0 HG3 LYS A 45 3.369 -4.396 -17.666 1.00 3.55 H new ATOM 0 HD2 LYS A 45 4.192 -2.683 -19.210 1.00 3.68 H new ATOM 0 HD3 LYS A 45 5.559 -3.366 -18.351 1.00 3.68 H new ATOM 0 HE2 LYS A 45 6.253 -4.671 -20.268 1.00 4.89 H new ATOM 0 HE3 LYS A 45 4.722 -4.435 -21.086 1.00 4.89 H new ATOM 0 HZ1 LYS A 45 5.922 -2.821 -22.134 1.00 5.60 H new ATOM 0 HZ2 LYS A 45 5.452 -1.888 -20.795 1.00 5.60 H new ATOM 0 HZ3 LYS A 45 6.995 -2.595 -20.838 1.00 5.60 H new ATOM 719 N GLU A 46 2.246 -7.844 -18.491 1.00 3.00 N ATOM 720 CA GLU A 46 0.834 -8.097 -18.942 1.00 3.09 C ATOM 721 C GLU A 46 -0.095 -8.252 -17.725 1.00 2.73 C ATOM 722 O GLU A 46 -1.136 -7.621 -17.623 1.00 2.73 O ATOM 723 CB GLU A 46 0.791 -9.387 -19.787 1.00 3.43 C ATOM 724 CG GLU A 46 1.618 -9.236 -21.084 1.00 3.71 C ATOM 725 CD GLU A 46 3.081 -8.940 -20.753 1.00 3.52 C ATOM 726 OE1 GLU A 46 3.669 -9.787 -20.114 1.00 4.48 O ATOM 727 OE2 GLU A 46 3.497 -7.839 -21.057 1.00 3.23 O ATOM 0 H GLU A 46 2.958 -8.380 -18.987 1.00 3.00 H new ATOM 0 HA GLU A 46 0.496 -7.251 -19.540 1.00 3.09 H new ATOM 0 HB2 GLU A 46 1.178 -10.221 -19.201 1.00 3.43 H new ATOM 0 HB3 GLU A 46 -0.243 -9.626 -20.038 1.00 3.43 H new ATOM 0 HG2 GLU A 46 1.550 -10.150 -21.674 1.00 3.71 H new ATOM 0 HG3 GLU A 46 1.207 -8.431 -21.693 1.00 3.71 H new ATOM 734 N ASP A 47 0.314 -9.122 -16.842 1.00 2.51 N ATOM 735 CA ASP A 47 -0.470 -9.395 -15.594 1.00 2.32 C ATOM 736 C ASP A 47 -0.919 -8.090 -14.915 1.00 2.03 C ATOM 737 O ASP A 47 -2.099 -7.820 -14.758 1.00 2.04 O ATOM 738 CB ASP A 47 0.431 -10.187 -14.637 1.00 2.14 C ATOM 739 CG ASP A 47 -0.395 -10.738 -13.469 1.00 2.73 C ATOM 740 OD1 ASP A 47 -0.783 -9.918 -12.644 1.00 3.10 O ATOM 741 OD2 ASP A 47 -0.612 -11.941 -13.489 1.00 3.63 O ATOM 0 H ASP A 47 1.172 -9.666 -16.931 1.00 2.51 H new ATOM 0 HA ASP A 47 -1.367 -9.959 -15.849 1.00 2.32 H new ATOM 0 HB2 ASP A 47 0.911 -11.007 -15.172 1.00 2.14 H new ATOM 0 HB3 ASP A 47 1.226 -9.545 -14.259 1.00 2.14 H new ATOM 746 N LEU A 48 0.049 -7.313 -14.521 1.00 1.84 N ATOM 747 CA LEU A 48 -0.234 -6.011 -13.835 1.00 1.68 C ATOM 748 C LEU A 48 -1.417 -5.242 -14.444 1.00 1.86 C ATOM 749 O LEU A 48 -2.325 -4.828 -13.735 1.00 1.88 O ATOM 750 CB LEU A 48 1.042 -5.161 -13.905 1.00 1.75 C ATOM 751 CG LEU A 48 1.949 -5.510 -12.719 1.00 1.42 C ATOM 752 CD1 LEU A 48 3.327 -4.888 -12.942 1.00 1.70 C ATOM 753 CD2 LEU A 48 1.356 -4.926 -11.427 1.00 1.46 C ATOM 0 H LEU A 48 1.040 -7.523 -14.644 1.00 1.84 H new ATOM 0 HA LEU A 48 -0.521 -6.223 -12.805 1.00 1.68 H new ATOM 0 HB2 LEU A 48 1.564 -5.345 -14.844 1.00 1.75 H new ATOM 0 HB3 LEU A 48 0.788 -4.101 -13.884 1.00 1.75 H new ATOM 0 HG LEU A 48 2.030 -6.594 -12.635 1.00 1.42 H new ATOM 0 HD11 LEU A 48 3.977 -5.133 -12.102 1.00 1.70 H new ATOM 0 HD12 LEU A 48 3.759 -5.282 -13.862 1.00 1.70 H new ATOM 0 HD13 LEU A 48 3.229 -3.805 -13.022 1.00 1.70 H new ATOM 0 HD21 LEU A 48 2.002 -5.175 -10.585 1.00 1.46 H new ATOM 0 HD22 LEU A 48 1.281 -3.842 -11.519 1.00 1.46 H new ATOM 0 HD23 LEU A 48 0.364 -5.346 -11.260 1.00 1.46 H new ATOM 765 N GLN A 49 -1.370 -5.040 -15.734 1.00 2.07 N ATOM 766 CA GLN A 49 -2.482 -4.291 -16.400 1.00 2.31 C ATOM 767 C GLN A 49 -3.844 -4.769 -15.906 1.00 2.22 C ATOM 768 O GLN A 49 -4.679 -3.965 -15.578 1.00 2.14 O ATOM 769 CB GLN A 49 -2.428 -4.477 -17.917 1.00 2.81 C ATOM 770 CG GLN A 49 -1.297 -3.639 -18.509 1.00 3.01 C ATOM 771 CD GLN A 49 -1.453 -3.621 -20.028 1.00 3.70 C ATOM 772 OE1 GLN A 49 -2.394 -3.072 -20.562 1.00 4.07 O ATOM 773 NE2 GLN A 49 -0.574 -4.237 -20.755 1.00 4.81 N ATOM 0 H GLN A 49 -0.621 -5.355 -16.351 1.00 2.07 H new ATOM 0 HA GLN A 49 -2.353 -3.238 -16.149 1.00 2.31 H new ATOM 0 HB2 GLN A 49 -2.275 -5.529 -18.157 1.00 2.81 H new ATOM 0 HB3 GLN A 49 -3.379 -4.184 -18.361 1.00 2.81 H new ATOM 0 HG2 GLN A 49 -1.330 -2.624 -18.113 1.00 3.01 H new ATOM 0 HG3 GLN A 49 -0.330 -4.058 -18.232 1.00 3.01 H new ATOM 0 HE21 GLN A 49 0.219 -4.701 -20.312 1.00 4.81 H new ATOM 0 HE22 GLN A 49 -0.676 -4.258 -21.770 1.00 4.81 H new ATOM 782 N GLN A 50 -4.019 -6.061 -15.849 1.00 2.35 N ATOM 783 CA GLN A 50 -5.326 -6.632 -15.400 1.00 2.47 C ATOM 784 C GLN A 50 -5.707 -6.119 -14.004 1.00 2.05 C ATOM 785 O GLN A 50 -6.800 -5.636 -13.784 1.00 2.01 O ATOM 786 CB GLN A 50 -5.183 -8.161 -15.382 1.00 2.87 C ATOM 787 CG GLN A 50 -6.545 -8.829 -15.143 1.00 4.30 C ATOM 788 CD GLN A 50 -6.643 -9.321 -13.693 1.00 5.66 C ATOM 789 OE1 GLN A 50 -6.722 -8.546 -12.761 1.00 6.41 O ATOM 790 NE2 GLN A 50 -6.649 -10.602 -13.452 1.00 6.69 N ATOM 0 H GLN A 50 -3.310 -6.752 -16.095 1.00 2.35 H new ATOM 0 HA GLN A 50 -6.118 -6.324 -16.083 1.00 2.47 H new ATOM 0 HB2 GLN A 50 -4.765 -8.504 -16.329 1.00 2.87 H new ATOM 0 HB3 GLN A 50 -4.484 -8.457 -14.599 1.00 2.87 H new ATOM 0 HG2 GLN A 50 -7.347 -8.121 -15.350 1.00 4.30 H new ATOM 0 HG3 GLN A 50 -6.674 -9.666 -15.829 1.00 4.30 H new ATOM 0 HE21 GLN A 50 -6.583 -11.266 -14.223 1.00 6.69 H new ATOM 0 HE22 GLN A 50 -6.719 -10.940 -12.492 1.00 6.69 H new ATOM 799 N LYS A 51 -4.772 -6.253 -13.105 1.00 1.85 N ATOM 800 CA LYS A 51 -4.981 -5.815 -11.694 1.00 1.68 C ATOM 801 C LYS A 51 -5.605 -4.420 -11.590 1.00 1.28 C ATOM 802 O LYS A 51 -6.397 -4.183 -10.693 1.00 1.31 O ATOM 803 CB LYS A 51 -3.623 -5.826 -10.976 1.00 1.76 C ATOM 804 CG LYS A 51 -3.318 -7.228 -10.426 1.00 2.52 C ATOM 805 CD LYS A 51 -3.537 -7.289 -8.898 1.00 2.68 C ATOM 806 CE LYS A 51 -5.004 -7.012 -8.530 1.00 3.22 C ATOM 807 NZ LYS A 51 -5.291 -5.542 -8.447 1.00 4.48 N ATOM 0 H LYS A 51 -3.854 -6.655 -13.292 1.00 1.85 H new ATOM 0 HA LYS A 51 -5.682 -6.508 -11.228 1.00 1.68 H new ATOM 0 HB2 LYS A 51 -2.837 -5.521 -11.667 1.00 1.76 H new ATOM 0 HB3 LYS A 51 -3.630 -5.102 -10.161 1.00 1.76 H new ATOM 0 HG2 LYS A 51 -3.958 -7.961 -10.917 1.00 2.52 H new ATOM 0 HG3 LYS A 51 -2.288 -7.497 -10.659 1.00 2.52 H new ATOM 0 HD2 LYS A 51 -3.246 -8.272 -8.526 1.00 2.68 H new ATOM 0 HD3 LYS A 51 -2.893 -6.559 -8.407 1.00 2.68 H new ATOM 0 HE2 LYS A 51 -5.657 -7.468 -9.274 1.00 3.22 H new ATOM 0 HE3 LYS A 51 -5.233 -7.481 -7.573 1.00 3.22 H new ATOM 0 HZ1 LYS A 51 -5.698 -5.320 -7.516 1.00 4.48 H new ATOM 0 HZ2 LYS A 51 -4.408 -5.008 -8.575 1.00 4.48 H new ATOM 0 HZ3 LYS A 51 -5.967 -5.278 -9.192 1.00 4.48 H new ATOM 821 N ALA A 52 -5.206 -3.541 -12.468 1.00 1.25 N ATOM 822 CA ALA A 52 -5.742 -2.139 -12.443 1.00 1.39 C ATOM 823 C ALA A 52 -6.831 -1.932 -13.505 1.00 1.79 C ATOM 824 O ALA A 52 -7.703 -1.085 -13.353 1.00 2.00 O ATOM 825 CB ALA A 52 -4.575 -1.184 -12.708 1.00 1.49 C ATOM 0 H ALA A 52 -4.529 -3.729 -13.207 1.00 1.25 H new ATOM 0 HA ALA A 52 -6.194 -1.946 -11.470 1.00 1.39 H new ATOM 0 HB1 ALA A 52 -4.936 -0.156 -12.696 1.00 1.49 H new ATOM 0 HB2 ALA A 52 -3.817 -1.312 -11.935 1.00 1.49 H new ATOM 0 HB3 ALA A 52 -4.139 -1.404 -13.683 1.00 1.49 H new ATOM 831 N GLY A 53 -6.709 -2.660 -14.573 1.00 2.24 N ATOM 832 CA GLY A 53 -7.690 -2.578 -15.692 1.00 2.88 C ATOM 833 C GLY A 53 -7.512 -1.272 -16.456 1.00 3.17 C ATOM 834 O GLY A 53 -8.477 -0.561 -16.664 1.00 3.34 O ATOM 0 H GLY A 53 -5.952 -3.327 -14.724 1.00 2.24 H new ATOM 0 HA2 GLY A 53 -7.554 -3.423 -16.367 1.00 2.88 H new ATOM 0 HA3 GLY A 53 -8.705 -2.643 -15.300 1.00 2.88 H new ATOM 838 N LYS A 54 -6.291 -0.954 -16.842 1.00 3.55 N ATOM 839 CA LYS A 54 -6.083 0.335 -17.583 1.00 4.00 C ATOM 840 C LYS A 54 -5.023 0.198 -18.694 1.00 4.36 C ATOM 841 O LYS A 54 -4.137 -0.627 -18.598 1.00 4.82 O ATOM 842 CB LYS A 54 -5.646 1.405 -16.567 1.00 4.01 C ATOM 843 CG LYS A 54 -6.576 1.317 -15.354 1.00 4.48 C ATOM 844 CD LYS A 54 -6.274 2.424 -14.339 1.00 4.62 C ATOM 845 CE LYS A 54 -6.929 2.038 -13.006 1.00 5.68 C ATOM 846 NZ LYS A 54 -8.324 1.548 -13.225 1.00 7.51 N ATOM 0 H LYS A 54 -5.454 -1.514 -16.681 1.00 3.55 H new ATOM 0 HA LYS A 54 -7.017 0.618 -18.069 1.00 4.00 H new ATOM 0 HB2 LYS A 54 -4.611 1.244 -16.266 1.00 4.01 H new ATOM 0 HB3 LYS A 54 -5.697 2.398 -17.014 1.00 4.01 H new ATOM 0 HG2 LYS A 54 -7.613 1.394 -15.682 1.00 4.48 H new ATOM 0 HG3 LYS A 54 -6.464 0.343 -14.877 1.00 4.48 H new ATOM 0 HD2 LYS A 54 -5.198 2.543 -14.214 1.00 4.62 H new ATOM 0 HD3 LYS A 54 -6.662 3.380 -14.691 1.00 4.62 H new ATOM 0 HE2 LYS A 54 -6.339 1.263 -12.516 1.00 5.68 H new ATOM 0 HE3 LYS A 54 -6.941 2.899 -12.338 1.00 5.68 H new ATOM 0 HZ1 LYS A 54 -8.864 1.630 -12.340 1.00 7.51 H new ATOM 0 HZ2 LYS A 54 -8.781 2.121 -13.963 1.00 7.51 H new ATOM 0 HZ3 LYS A 54 -8.299 0.552 -13.525 1.00 7.51 H new ATOM 860 N PRO A 55 -5.089 1.072 -19.694 1.00 4.53 N ATOM 861 CA PRO A 55 -4.121 1.063 -20.823 1.00 4.92 C ATOM 862 C PRO A 55 -2.813 1.775 -20.439 1.00 4.31 C ATOM 863 O PRO A 55 -2.214 2.490 -21.221 1.00 4.79 O ATOM 864 CB PRO A 55 -4.849 1.798 -21.960 1.00 5.89 C ATOM 865 CG PRO A 55 -6.126 2.438 -21.360 1.00 5.85 C ATOM 866 CD PRO A 55 -6.171 2.073 -19.866 1.00 4.87 C ATOM 0 HA PRO A 55 -3.829 0.053 -21.110 1.00 4.92 H new ATOM 0 HB2 PRO A 55 -4.206 2.562 -22.396 1.00 5.89 H new ATOM 0 HB3 PRO A 55 -5.108 1.105 -22.761 1.00 5.89 H new ATOM 0 HG2 PRO A 55 -6.109 3.520 -21.489 1.00 5.85 H new ATOM 0 HG3 PRO A 55 -7.015 2.070 -21.871 1.00 5.85 H new ATOM 0 HD2 PRO A 55 -6.005 2.949 -19.239 1.00 4.87 H new ATOM 0 HD3 PRO A 55 -7.141 1.661 -19.587 1.00 4.87 H new ATOM 874 N VAL A 56 -2.409 1.546 -19.226 1.00 3.90 N ATOM 875 CA VAL A 56 -1.148 2.142 -18.694 1.00 3.61 C ATOM 876 C VAL A 56 -0.504 1.044 -17.838 1.00 4.05 C ATOM 877 O VAL A 56 -1.146 0.500 -16.956 1.00 5.02 O ATOM 878 CB VAL A 56 -1.475 3.426 -17.895 1.00 3.99 C ATOM 879 CG1 VAL A 56 -2.548 3.159 -16.830 1.00 5.14 C ATOM 880 CG2 VAL A 56 -0.206 3.964 -17.221 1.00 4.15 C ATOM 0 H VAL A 56 -2.910 0.956 -18.561 1.00 3.90 H new ATOM 0 HA VAL A 56 -0.455 2.453 -19.476 1.00 3.61 H new ATOM 0 HB VAL A 56 -1.860 4.167 -18.595 1.00 3.99 H new ATOM 0 HG11 VAL A 56 -2.757 4.080 -16.285 1.00 5.14 H new ATOM 0 HG12 VAL A 56 -3.460 2.808 -17.313 1.00 5.14 H new ATOM 0 HG13 VAL A 56 -2.190 2.399 -16.135 1.00 5.14 H new ATOM 0 HG21 VAL A 56 -0.447 4.868 -16.661 1.00 4.15 H new ATOM 0 HG22 VAL A 56 0.192 3.211 -16.541 1.00 4.15 H new ATOM 0 HG23 VAL A 56 0.539 4.196 -17.982 1.00 4.15 H new ATOM 890 N GLU A 57 0.732 0.728 -18.123 1.00 4.23 N ATOM 891 CA GLU A 57 1.419 -0.372 -17.377 1.00 5.19 C ATOM 892 C GLU A 57 2.698 0.086 -16.665 1.00 4.16 C ATOM 893 O GLU A 57 3.770 -0.431 -16.927 1.00 4.39 O ATOM 894 CB GLU A 57 1.741 -1.489 -18.400 1.00 7.23 C ATOM 895 CG GLU A 57 2.085 -0.907 -19.800 1.00 7.66 C ATOM 896 CD GLU A 57 3.373 -0.068 -19.763 1.00 7.76 C ATOM 897 OE1 GLU A 57 3.231 1.107 -19.459 1.00 7.47 O ATOM 898 OE2 GLU A 57 4.425 -0.646 -20.061 1.00 8.74 O ATOM 0 H GLU A 57 1.297 1.183 -18.840 1.00 4.23 H new ATOM 0 HA GLU A 57 0.757 -0.727 -16.587 1.00 5.19 H new ATOM 0 HB2 GLU A 57 2.580 -2.084 -18.037 1.00 7.23 H new ATOM 0 HB3 GLU A 57 0.887 -2.161 -18.485 1.00 7.23 H new ATOM 0 HG2 GLU A 57 2.201 -1.722 -20.515 1.00 7.66 H new ATOM 0 HG3 GLU A 57 1.258 -0.290 -20.151 1.00 7.66 H new ATOM 905 N THR A 58 2.572 0.974 -15.716 1.00 3.63 N ATOM 906 CA THR A 58 3.809 1.444 -15.020 1.00 3.25 C ATOM 907 C THR A 58 3.956 0.846 -13.608 1.00 2.79 C ATOM 908 O THR A 58 3.024 0.294 -13.047 1.00 2.77 O ATOM 909 CB THR A 58 3.768 2.979 -14.950 1.00 3.77 C ATOM 910 OG1 THR A 58 2.602 3.310 -14.203 1.00 4.49 O ATOM 911 CG2 THR A 58 3.523 3.577 -16.339 1.00 5.20 C ATOM 0 H THR A 58 1.695 1.386 -15.398 1.00 3.63 H new ATOM 0 HA THR A 58 4.676 1.106 -15.588 1.00 3.25 H new ATOM 0 HB THR A 58 4.704 3.348 -14.530 1.00 3.77 H new ATOM 0 HG1 THR A 58 2.528 4.284 -14.126 1.00 4.49 H new ATOM 0 HG21 THR A 58 3.497 4.664 -16.268 1.00 5.20 H new ATOM 0 HG22 THR A 58 4.326 3.276 -17.011 1.00 5.20 H new ATOM 0 HG23 THR A 58 2.571 3.216 -16.728 1.00 5.20 H new ATOM 919 N VAL A 59 5.139 0.998 -13.061 1.00 2.64 N ATOM 920 CA VAL A 59 5.440 0.470 -11.689 1.00 2.26 C ATOM 921 C VAL A 59 5.689 1.675 -10.770 1.00 2.17 C ATOM 922 O VAL A 59 6.115 2.714 -11.242 1.00 2.55 O ATOM 923 CB VAL A 59 6.715 -0.406 -11.778 1.00 2.45 C ATOM 924 CG1 VAL A 59 7.166 -0.912 -10.397 1.00 2.53 C ATOM 925 CG2 VAL A 59 6.432 -1.623 -12.671 1.00 3.20 C ATOM 0 H VAL A 59 5.921 1.472 -13.513 1.00 2.64 H new ATOM 0 HA VAL A 59 4.618 -0.129 -11.298 1.00 2.26 H new ATOM 0 HB VAL A 59 7.510 0.213 -12.194 1.00 2.45 H new ATOM 0 HG11 VAL A 59 8.063 -1.522 -10.508 1.00 2.53 H new ATOM 0 HG12 VAL A 59 7.383 -0.061 -9.751 1.00 2.53 H new ATOM 0 HG13 VAL A 59 6.372 -1.512 -9.952 1.00 2.53 H new ATOM 0 HG21 VAL A 59 7.327 -2.242 -12.736 1.00 3.20 H new ATOM 0 HG22 VAL A 59 5.617 -2.207 -12.243 1.00 3.20 H new ATOM 0 HG23 VAL A 59 6.151 -1.285 -13.668 1.00 3.20 H new ATOM 935 N PRO A 60 5.425 1.534 -9.479 1.00 1.85 N ATOM 936 CA PRO A 60 4.668 0.411 -8.871 1.00 1.55 C ATOM 937 C PRO A 60 3.161 0.708 -8.864 1.00 1.32 C ATOM 938 O PRO A 60 2.736 1.786 -9.249 1.00 1.49 O ATOM 939 CB PRO A 60 5.215 0.332 -7.437 1.00 1.60 C ATOM 940 CG PRO A 60 6.049 1.617 -7.195 1.00 1.96 C ATOM 941 CD PRO A 60 5.962 2.467 -8.472 1.00 2.00 C ATOM 0 HA PRO A 60 4.788 -0.523 -9.420 1.00 1.55 H new ATOM 0 HB2 PRO A 60 4.400 0.261 -6.717 1.00 1.60 H new ATOM 0 HB3 PRO A 60 5.832 -0.557 -7.309 1.00 1.60 H new ATOM 0 HG2 PRO A 60 5.663 2.170 -6.339 1.00 1.96 H new ATOM 0 HG3 PRO A 60 7.086 1.366 -6.971 1.00 1.96 H new ATOM 0 HD2 PRO A 60 5.308 3.328 -8.336 1.00 2.00 H new ATOM 0 HD3 PRO A 60 6.939 2.852 -8.764 1.00 2.00 H new ATOM 949 N GLN A 61 2.395 -0.251 -8.401 1.00 1.00 N ATOM 950 CA GLN A 61 0.908 -0.061 -8.353 1.00 0.84 C ATOM 951 C GLN A 61 0.379 -0.468 -6.965 1.00 0.75 C ATOM 952 O GLN A 61 0.872 -1.423 -6.380 1.00 0.79 O ATOM 953 CB GLN A 61 0.263 -0.944 -9.436 1.00 0.95 C ATOM 954 CG GLN A 61 0.803 -0.589 -10.843 1.00 1.23 C ATOM 955 CD GLN A 61 0.153 0.698 -11.376 1.00 1.89 C ATOM 956 OE1 GLN A 61 -1.039 0.883 -11.277 1.00 2.99 O ATOM 957 NE2 GLN A 61 0.886 1.593 -11.968 1.00 2.83 N ATOM 0 H GLN A 61 2.730 -1.151 -8.057 1.00 1.00 H new ATOM 0 HA GLN A 61 0.660 0.985 -8.532 1.00 0.84 H new ATOM 0 HB2 GLN A 61 0.464 -1.993 -9.221 1.00 0.95 H new ATOM 0 HB3 GLN A 61 -0.819 -0.816 -9.416 1.00 0.95 H new ATOM 0 HG2 GLN A 61 1.885 -0.463 -10.800 1.00 1.23 H new ATOM 0 HG3 GLN A 61 0.605 -1.412 -11.530 1.00 1.23 H new ATOM 0 HE21 GLN A 61 1.892 1.450 -12.058 1.00 2.83 H new ATOM 0 HE22 GLN A 61 0.455 2.439 -12.342 1.00 2.83 H new ATOM 966 N ILE A 62 -0.594 0.260 -6.454 1.00 0.71 N ATOM 967 CA ILE A 62 -1.161 -0.084 -5.106 1.00 0.68 C ATOM 968 C ILE A 62 -2.649 -0.407 -5.187 1.00 0.65 C ATOM 969 O ILE A 62 -3.413 0.236 -5.901 1.00 0.66 O ATOM 970 CB ILE A 62 -0.992 1.100 -4.131 1.00 0.71 C ATOM 971 CG1 ILE A 62 0.487 1.282 -3.781 1.00 0.86 C ATOM 972 CG2 ILE A 62 -1.790 0.861 -2.832 1.00 0.85 C ATOM 973 CD1 ILE A 62 1.156 2.144 -4.840 1.00 1.47 C ATOM 0 H ILE A 62 -1.016 1.070 -6.909 1.00 0.71 H new ATOM 0 HA ILE A 62 -0.616 -0.959 -4.751 1.00 0.68 H new ATOM 0 HB ILE A 62 -1.371 1.997 -4.621 1.00 0.71 H new ATOM 0 HG12 ILE A 62 0.585 1.749 -2.801 1.00 0.86 H new ATOM 0 HG13 ILE A 62 0.980 0.312 -3.722 1.00 0.86 H new ATOM 0 HG21 ILE A 62 -1.655 1.709 -2.161 1.00 0.85 H new ATOM 0 HG22 ILE A 62 -2.848 0.751 -3.070 1.00 0.85 H new ATOM 0 HG23 ILE A 62 -1.431 -0.047 -2.346 1.00 0.85 H new ATOM 0 HD11 ILE A 62 2.209 2.274 -4.591 1.00 1.47 H new ATOM 0 HD12 ILE A 62 1.070 1.658 -5.812 1.00 1.47 H new ATOM 0 HD13 ILE A 62 0.669 3.118 -4.877 1.00 1.47 H new ATOM 985 N PHE A 63 -3.015 -1.360 -4.383 1.00 0.63 N ATOM 986 CA PHE A 63 -4.431 -1.804 -4.289 1.00 0.66 C ATOM 987 C PHE A 63 -4.846 -1.809 -2.824 1.00 0.63 C ATOM 988 O PHE A 63 -4.074 -2.241 -1.982 1.00 0.67 O ATOM 989 CB PHE A 63 -4.555 -3.229 -4.840 1.00 0.81 C ATOM 990 CG PHE A 63 -4.340 -3.182 -6.347 1.00 0.80 C ATOM 991 CD1 PHE A 63 -3.066 -3.228 -6.887 1.00 0.80 C ATOM 992 CD2 PHE A 63 -5.419 -2.998 -7.178 1.00 1.08 C ATOM 993 CE1 PHE A 63 -2.880 -3.079 -8.244 1.00 0.92 C ATOM 994 CE2 PHE A 63 -5.234 -2.850 -8.532 1.00 1.22 C ATOM 995 CZ PHE A 63 -3.965 -2.887 -9.069 1.00 1.07 C ATOM 0 H PHE A 63 -2.375 -1.864 -3.770 1.00 0.63 H new ATOM 0 HA PHE A 63 -5.067 -1.130 -4.862 1.00 0.66 H new ATOM 0 HB2 PHE A 63 -3.818 -3.882 -4.372 1.00 0.81 H new ATOM 0 HB3 PHE A 63 -5.538 -3.640 -4.610 1.00 0.81 H new ATOM 0 HD1 PHE A 63 -2.214 -3.381 -6.241 1.00 0.80 H new ATOM 0 HD2 PHE A 63 -6.417 -2.970 -6.765 1.00 1.08 H new ATOM 0 HE1 PHE A 63 -1.884 -3.113 -8.660 1.00 0.92 H new ATOM 0 HE2 PHE A 63 -6.087 -2.704 -9.178 1.00 1.22 H new ATOM 0 HZ PHE A 63 -3.823 -2.766 -10.133 1.00 1.07 H new ATOM 1005 N VAL A 64 -6.025 -1.318 -2.536 1.00 0.61 N ATOM 1006 CA VAL A 64 -6.477 -1.337 -1.110 1.00 0.64 C ATOM 1007 C VAL A 64 -7.802 -2.100 -1.009 1.00 0.93 C ATOM 1008 O VAL A 64 -8.710 -1.925 -1.820 1.00 1.25 O ATOM 1009 CB VAL A 64 -6.632 0.092 -0.548 1.00 0.64 C ATOM 1010 CG1 VAL A 64 -7.236 0.008 0.860 1.00 0.72 C ATOM 1011 CG2 VAL A 64 -5.258 0.763 -0.405 1.00 0.66 C ATOM 0 H VAL A 64 -6.680 -0.915 -3.206 1.00 0.61 H new ATOM 0 HA VAL A 64 -5.718 -1.841 -0.511 1.00 0.64 H new ATOM 0 HB VAL A 64 -7.264 0.663 -1.228 1.00 0.64 H new ATOM 0 HG11 VAL A 64 -7.350 1.013 1.267 1.00 0.72 H new ATOM 0 HG12 VAL A 64 -8.211 -0.476 0.809 1.00 0.72 H new ATOM 0 HG13 VAL A 64 -6.576 -0.572 1.505 1.00 0.72 H new ATOM 0 HG21 VAL A 64 -5.384 1.770 -0.008 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -4.637 0.180 0.275 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -4.776 0.816 -1.381 1.00 0.66 H new ATOM 1021 N ASP A 65 -7.864 -2.915 0.018 1.00 1.10 N ATOM 1022 CA ASP A 65 -9.062 -3.756 0.299 1.00 1.43 C ATOM 1023 C ASP A 65 -9.437 -4.605 -0.913 1.00 1.40 C ATOM 1024 O ASP A 65 -9.125 -5.775 -0.989 1.00 1.71 O ATOM 1025 CB ASP A 65 -10.226 -2.830 0.718 1.00 1.73 C ATOM 1026 CG ASP A 65 -9.945 -2.216 2.100 1.00 2.53 C ATOM 1027 OD1 ASP A 65 -8.882 -2.478 2.629 1.00 3.17 O ATOM 1028 OD2 ASP A 65 -10.810 -1.511 2.578 1.00 3.58 O ATOM 0 H ASP A 65 -7.107 -3.032 0.691 1.00 1.10 H new ATOM 0 HA ASP A 65 -8.839 -4.449 1.110 1.00 1.43 H new ATOM 0 HB2 ASP A 65 -10.355 -2.039 -0.020 1.00 1.73 H new ATOM 0 HB3 ASP A 65 -11.158 -3.395 0.746 1.00 1.73 H new ATOM 1033 N GLN A 66 -10.106 -3.991 -1.831 1.00 1.58 N ATOM 1034 CA GLN A 66 -10.524 -4.710 -3.046 1.00 1.69 C ATOM 1035 C GLN A 66 -10.351 -3.857 -4.310 1.00 1.40 C ATOM 1036 O GLN A 66 -10.255 -4.407 -5.395 1.00 1.48 O ATOM 1037 CB GLN A 66 -11.998 -5.094 -2.866 1.00 2.18 C ATOM 1038 CG GLN A 66 -12.470 -5.880 -4.084 1.00 3.35 C ATOM 1039 CD GLN A 66 -13.797 -6.569 -3.762 1.00 3.97 C ATOM 1040 OE1 GLN A 66 -14.790 -5.937 -3.478 1.00 4.55 O ATOM 1041 NE2 GLN A 66 -13.865 -7.865 -3.791 1.00 4.68 N ATOM 0 H GLN A 66 -10.384 -3.010 -1.790 1.00 1.58 H new ATOM 0 HA GLN A 66 -9.897 -5.592 -3.178 1.00 1.69 H new ATOM 0 HB2 GLN A 66 -12.122 -5.692 -1.963 1.00 2.18 H new ATOM 0 HB3 GLN A 66 -12.606 -4.198 -2.740 1.00 2.18 H new ATOM 0 HG2 GLN A 66 -12.592 -5.212 -4.937 1.00 3.35 H new ATOM 0 HG3 GLN A 66 -11.722 -6.621 -4.364 1.00 3.35 H new ATOM 0 HE21 GLN A 66 -13.039 -8.414 -4.028 1.00 4.68 H new ATOM 0 HE22 GLN A 66 -14.745 -8.334 -3.577 1.00 4.68 H new ATOM 1050 N GLN A 67 -10.260 -2.557 -4.163 1.00 1.29 N ATOM 1051 CA GLN A 67 -10.161 -1.699 -5.365 1.00 1.21 C ATOM 1052 C GLN A 67 -8.742 -1.210 -5.664 1.00 1.02 C ATOM 1053 O GLN A 67 -7.847 -1.248 -4.827 1.00 0.92 O ATOM 1054 CB GLN A 67 -11.073 -0.483 -5.150 1.00 1.49 C ATOM 1055 CG GLN A 67 -10.736 0.227 -3.823 1.00 1.91 C ATOM 1056 CD GLN A 67 -11.366 1.632 -3.784 1.00 3.41 C ATOM 1057 OE1 GLN A 67 -10.989 2.472 -2.993 1.00 4.57 O ATOM 1058 NE2 GLN A 67 -12.322 1.940 -4.609 1.00 4.46 N ATOM 0 H GLN A 67 -10.251 -2.065 -3.269 1.00 1.29 H new ATOM 0 HA GLN A 67 -10.462 -2.301 -6.222 1.00 1.21 H new ATOM 0 HB2 GLN A 67 -10.958 0.214 -5.980 1.00 1.49 H new ATOM 0 HB3 GLN A 67 -12.115 -0.801 -5.143 1.00 1.49 H new ATOM 0 HG2 GLN A 67 -11.102 -0.365 -2.984 1.00 1.91 H new ATOM 0 HG3 GLN A 67 -9.655 0.304 -3.710 1.00 1.91 H new ATOM 0 HE21 GLN A 67 -12.656 1.251 -5.283 1.00 4.46 H new ATOM 0 HE22 GLN A 67 -12.738 2.871 -4.583 1.00 4.46 H new ATOM 1067 N HIS A 68 -8.607 -0.749 -6.881 1.00 1.10 N ATOM 1068 CA HIS A 68 -7.314 -0.203 -7.359 1.00 1.01 C ATOM 1069 C HIS A 68 -7.221 1.211 -6.828 1.00 0.83 C ATOM 1070 O HIS A 68 -8.202 1.932 -6.861 1.00 0.94 O ATOM 1071 CB HIS A 68 -7.324 -0.166 -8.888 1.00 1.25 C ATOM 1072 CG HIS A 68 -6.148 0.605 -9.488 1.00 1.31 C ATOM 1073 ND1 HIS A 68 -4.816 0.310 -9.618 1.00 1.53 N flip ATOM 1074 CD2 HIS A 68 -6.318 1.789 -10.001 1.00 1.48 C flip ATOM 1075 CE1 HIS A 68 -4.252 1.319 -10.210 1.00 1.56 C flip ATOM 1076 NE2 HIS A 68 -5.161 2.226 -10.446 1.00 1.56 N flip ATOM 0 H HIS A 68 -9.357 -0.730 -7.572 1.00 1.10 H new ATOM 0 HA HIS A 68 -6.473 -0.810 -7.023 1.00 1.01 H new ATOM 0 HB2 HIS A 68 -7.310 -1.187 -9.268 1.00 1.25 H new ATOM 0 HB3 HIS A 68 -8.256 0.287 -9.226 1.00 1.25 H new ATOM 0 HD1 HIS A 68 -4.353 -0.544 -9.307 1.00 1.53 H new ATOM 0 HD2 HIS A 68 -7.255 2.324 -10.053 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -3.205 1.395 -10.465 1.00 1.56 H new ATOM 1084 N ILE A 69 -6.072 1.587 -6.361 1.00 0.67 N ATOM 1085 CA ILE A 69 -5.950 2.962 -5.810 1.00 0.65 C ATOM 1086 C ILE A 69 -5.085 3.813 -6.736 1.00 0.79 C ATOM 1087 O ILE A 69 -5.508 4.869 -7.161 1.00 0.97 O ATOM 1088 CB ILE A 69 -5.361 2.844 -4.394 1.00 0.59 C ATOM 1089 CG1 ILE A 69 -6.160 1.799 -3.587 1.00 0.69 C ATOM 1090 CG2 ILE A 69 -5.446 4.192 -3.674 1.00 0.68 C ATOM 1091 CD1 ILE A 69 -7.649 2.171 -3.496 1.00 0.82 C ATOM 0 H ILE A 69 -5.226 1.018 -6.335 1.00 0.67 H new ATOM 0 HA ILE A 69 -6.919 3.458 -5.747 1.00 0.65 H new ATOM 0 HB ILE A 69 -4.318 2.538 -4.473 1.00 0.59 H new ATOM 0 HG12 ILE A 69 -6.057 0.820 -4.056 1.00 0.69 H new ATOM 0 HG13 ILE A 69 -5.743 1.717 -2.583 1.00 0.69 H new ATOM 0 HG21 ILE A 69 -5.026 4.097 -2.673 1.00 0.68 H new ATOM 0 HG22 ILE A 69 -4.884 4.939 -4.234 1.00 0.68 H new ATOM 0 HG23 ILE A 69 -6.489 4.501 -3.602 1.00 0.68 H new ATOM 0 HD11 ILE A 69 -8.179 1.412 -2.921 1.00 0.82 H new ATOM 0 HD12 ILE A 69 -7.753 3.138 -3.004 1.00 0.82 H new ATOM 0 HD13 ILE A 69 -8.072 2.227 -4.499 1.00 0.82 H new ATOM 1103 N GLY A 70 -3.930 3.310 -7.093 1.00 0.84 N ATOM 1104 CA GLY A 70 -3.033 4.095 -8.002 1.00 1.10 C ATOM 1105 C GLY A 70 -1.572 3.943 -7.586 1.00 0.79 C ATOM 1106 O GLY A 70 -1.160 2.860 -7.213 1.00 1.60 O ATOM 0 H GLY A 70 -3.571 2.401 -6.800 1.00 0.84 H new ATOM 0 HA2 GLY A 70 -3.161 3.754 -9.029 1.00 1.10 H new ATOM 0 HA3 GLY A 70 -3.315 5.148 -7.978 1.00 1.10 H new ATOM 1110 N GLY A 71 -0.821 5.013 -7.669 1.00 0.96 N ATOM 1111 CA GLY A 71 0.628 4.944 -7.295 1.00 0.91 C ATOM 1112 C GLY A 71 0.813 5.444 -5.864 1.00 0.85 C ATOM 1113 O GLY A 71 -0.158 5.645 -5.152 1.00 1.49 O ATOM 0 H GLY A 71 -1.146 5.929 -7.978 1.00 0.96 H new ATOM 0 HA2 GLY A 71 0.988 3.919 -7.382 1.00 0.91 H new ATOM 0 HA3 GLY A 71 1.220 5.549 -7.982 1.00 0.91 H new ATOM 1117 N TYR A 72 2.046 5.676 -5.463 1.00 1.02 N ATOM 1118 CA TYR A 72 2.272 6.157 -4.064 1.00 0.91 C ATOM 1119 C TYR A 72 1.475 7.447 -3.835 1.00 0.84 C ATOM 1120 O TYR A 72 1.099 7.755 -2.728 1.00 1.08 O ATOM 1121 CB TYR A 72 3.778 6.390 -3.837 1.00 1.03 C ATOM 1122 CG TYR A 72 4.046 7.081 -2.488 1.00 0.90 C ATOM 1123 CD1 TYR A 72 3.425 6.655 -1.330 1.00 0.90 C ATOM 1124 CD2 TYR A 72 4.951 8.121 -2.411 1.00 1.26 C ATOM 1125 CE1 TYR A 72 3.711 7.257 -0.118 1.00 1.02 C ATOM 1126 CE2 TYR A 72 5.236 8.722 -1.203 1.00 1.31 C ATOM 1127 CZ TYR A 72 4.620 8.293 -0.045 1.00 1.08 C ATOM 1128 OH TYR A 72 4.929 8.871 1.171 1.00 1.32 O ATOM 0 H TYR A 72 2.885 5.556 -6.031 1.00 1.02 H new ATOM 0 HA TYR A 72 1.929 5.407 -3.351 1.00 0.91 H new ATOM 0 HB2 TYR A 72 4.303 5.436 -3.869 1.00 1.03 H new ATOM 0 HB3 TYR A 72 4.178 7.001 -4.646 1.00 1.03 H new ATOM 0 HD1 TYR A 72 2.711 5.846 -1.371 1.00 0.90 H new ATOM 0 HD2 TYR A 72 5.442 8.468 -3.308 1.00 1.26 H new ATOM 0 HE1 TYR A 72 3.218 6.913 0.780 1.00 1.02 H new ATOM 0 HE2 TYR A 72 5.947 9.534 -1.163 1.00 1.31 H new ATOM 0 HH TYR A 72 4.614 8.293 1.897 1.00 1.32 H new ATOM 1138 N THR A 73 1.172 8.127 -4.901 1.00 0.93 N ATOM 1139 CA THR A 73 0.405 9.399 -4.794 1.00 0.97 C ATOM 1140 C THR A 73 -1.077 9.125 -4.507 1.00 0.93 C ATOM 1141 O THR A 73 -1.583 9.464 -3.454 1.00 1.18 O ATOM 1142 CB THR A 73 0.566 10.127 -6.140 1.00 1.19 C ATOM 1143 OG1 THR A 73 0.326 9.120 -7.121 1.00 1.41 O ATOM 1144 CG2 THR A 73 2.020 10.535 -6.381 1.00 1.43 C ATOM 0 H THR A 73 1.424 7.855 -5.851 1.00 0.93 H new ATOM 0 HA THR A 73 0.781 10.006 -3.970 1.00 0.97 H new ATOM 0 HB THR A 73 -0.084 11.002 -6.168 1.00 1.19 H new ATOM 0 HG1 THR A 73 0.409 9.509 -8.017 1.00 1.41 H new ATOM 0 HG21 THR A 73 2.100 11.047 -7.340 1.00 1.43 H new ATOM 0 HG22 THR A 73 2.347 11.203 -5.584 1.00 1.43 H new ATOM 0 HG23 THR A 73 2.651 9.646 -6.391 1.00 1.43 H new ATOM 1152 N ASP A 74 -1.737 8.521 -5.449 1.00 0.85 N ATOM 1153 CA ASP A 74 -3.185 8.213 -5.263 1.00 0.80 C ATOM 1154 C ASP A 74 -3.351 7.439 -3.970 1.00 0.74 C ATOM 1155 O ASP A 74 -4.247 7.703 -3.195 1.00 0.88 O ATOM 1156 CB ASP A 74 -3.679 7.383 -6.437 1.00 0.92 C ATOM 1157 CG ASP A 74 -3.109 7.984 -7.711 1.00 1.56 C ATOM 1158 OD1 ASP A 74 -1.986 7.610 -8.008 1.00 2.30 O ATOM 1159 OD2 ASP A 74 -3.783 8.818 -8.275 1.00 2.88 O ATOM 0 H ASP A 74 -1.341 8.226 -6.341 1.00 0.85 H new ATOM 0 HA ASP A 74 -3.766 9.134 -5.215 1.00 0.80 H new ATOM 0 HB2 ASP A 74 -3.362 6.346 -6.330 1.00 0.92 H new ATOM 0 HB3 ASP A 74 -4.768 7.382 -6.471 1.00 0.92 H new ATOM 1164 N PHE A 75 -2.464 6.502 -3.764 1.00 0.67 N ATOM 1165 CA PHE A 75 -2.534 5.717 -2.513 1.00 0.70 C ATOM 1166 C PHE A 75 -2.393 6.699 -1.358 1.00 0.66 C ATOM 1167 O PHE A 75 -3.234 6.735 -0.501 1.00 0.69 O ATOM 1168 CB PHE A 75 -1.413 4.671 -2.500 1.00 0.78 C ATOM 1169 CG PHE A 75 -1.336 3.973 -1.133 1.00 0.81 C ATOM 1170 CD1 PHE A 75 -2.453 3.395 -0.549 1.00 0.83 C ATOM 1171 CD2 PHE A 75 -0.119 3.888 -0.483 1.00 0.98 C ATOM 1172 CE1 PHE A 75 -2.345 2.741 0.662 1.00 0.94 C ATOM 1173 CE2 PHE A 75 -0.011 3.235 0.723 1.00 1.13 C ATOM 1174 CZ PHE A 75 -1.124 2.662 1.297 1.00 1.07 C ATOM 0 H PHE A 75 -1.707 6.254 -4.401 1.00 0.67 H new ATOM 0 HA PHE A 75 -3.479 5.181 -2.427 1.00 0.70 H new ATOM 0 HB2 PHE A 75 -1.590 3.932 -3.282 1.00 0.78 H new ATOM 0 HB3 PHE A 75 -0.460 5.150 -2.723 1.00 0.78 H new ATOM 0 HD1 PHE A 75 -3.411 3.457 -1.043 1.00 0.83 H new ATOM 0 HD2 PHE A 75 0.756 4.339 -0.927 1.00 0.98 H new ATOM 0 HE1 PHE A 75 -3.218 2.291 1.112 1.00 0.94 H new ATOM 0 HE2 PHE A 75 0.946 3.172 1.219 1.00 1.13 H new ATOM 0 HZ PHE A 75 -1.040 2.151 2.245 1.00 1.07 H new ATOM 1184 N ALA A 76 -1.357 7.496 -1.373 1.00 0.65 N ATOM 1185 CA ALA A 76 -1.174 8.491 -0.269 1.00 0.69 C ATOM 1186 C ALA A 76 -2.475 9.280 -0.013 1.00 0.73 C ATOM 1187 O ALA A 76 -2.989 9.317 1.095 1.00 0.77 O ATOM 1188 CB ALA A 76 -0.036 9.447 -0.659 1.00 0.75 C ATOM 0 H ALA A 76 -0.635 7.504 -2.093 1.00 0.65 H new ATOM 0 HA ALA A 76 -0.923 7.967 0.653 1.00 0.69 H new ATOM 0 HB1 ALA A 76 0.112 10.180 0.134 1.00 0.75 H new ATOM 0 HB2 ALA A 76 0.883 8.879 -0.804 1.00 0.75 H new ATOM 0 HB3 ALA A 76 -0.294 9.962 -1.585 1.00 0.75 H new ATOM 1194 N ALA A 77 -2.988 9.894 -1.040 1.00 0.78 N ATOM 1195 CA ALA A 77 -4.251 10.682 -0.866 1.00 0.87 C ATOM 1196 C ALA A 77 -5.378 9.765 -0.390 1.00 0.86 C ATOM 1197 O ALA A 77 -5.922 9.960 0.682 1.00 0.92 O ATOM 1198 CB ALA A 77 -4.651 11.324 -2.200 1.00 0.96 C ATOM 0 H ALA A 77 -2.599 9.889 -1.983 1.00 0.78 H new ATOM 0 HA ALA A 77 -4.080 11.461 -0.123 1.00 0.87 H new ATOM 0 HB1 ALA A 77 -5.570 11.896 -2.068 1.00 0.96 H new ATOM 0 HB2 ALA A 77 -3.855 11.989 -2.537 1.00 0.96 H new ATOM 0 HB3 ALA A 77 -4.813 10.545 -2.945 1.00 0.96 H new ATOM 1204 N TRP A 78 -5.684 8.775 -1.195 1.00 0.84 N ATOM 1205 CA TRP A 78 -6.767 7.813 -0.834 1.00 0.87 C ATOM 1206 C TRP A 78 -6.666 7.462 0.644 1.00 0.85 C ATOM 1207 O TRP A 78 -7.651 7.489 1.357 1.00 0.98 O ATOM 1208 CB TRP A 78 -6.625 6.537 -1.663 1.00 0.92 C ATOM 1209 CG TRP A 78 -7.713 5.482 -1.418 1.00 0.98 C ATOM 1210 CD1 TRP A 78 -8.792 5.235 -2.218 1.00 1.18 C ATOM 1211 CD2 TRP A 78 -7.873 4.611 -0.360 1.00 0.97 C ATOM 1212 NE1 TRP A 78 -9.528 4.296 -1.700 1.00 1.25 N ATOM 1213 CE2 TRP A 78 -9.030 3.880 -0.561 1.00 1.11 C ATOM 1214 CE3 TRP A 78 -7.105 4.414 0.770 1.00 1.01 C ATOM 1215 CZ2 TRP A 78 -9.452 2.958 0.359 1.00 1.21 C ATOM 1216 CZ3 TRP A 78 -7.548 3.481 1.698 1.00 1.17 C ATOM 1217 CH2 TRP A 78 -8.712 2.761 1.496 1.00 1.23 C ATOM 0 H TRP A 78 -5.227 8.594 -2.089 1.00 0.84 H new ATOM 0 HA TRP A 78 -7.734 8.273 -1.038 1.00 0.87 H new ATOM 0 HB2 TRP A 78 -6.631 6.805 -2.719 1.00 0.92 H new ATOM 0 HB3 TRP A 78 -5.653 6.091 -1.453 1.00 0.92 H new ATOM 0 HD1 TRP A 78 -9.003 5.745 -3.146 1.00 1.18 H new ATOM 0 HE1 TRP A 78 -10.381 3.931 -2.124 1.00 1.25 H new ATOM 0 HE3 TRP A 78 -6.191 4.967 0.927 1.00 1.01 H new ATOM 0 HZ2 TRP A 78 -10.357 2.393 0.191 1.00 1.21 H new ATOM 0 HZ3 TRP A 78 -6.972 3.314 2.596 1.00 1.17 H new ATOM 0 HH2 TRP A 78 -9.038 2.043 2.234 1.00 1.23 H new ATOM 1228 N VAL A 79 -5.469 7.109 1.052 1.00 0.77 N ATOM 1229 CA VAL A 79 -5.234 6.755 2.479 1.00 0.81 C ATOM 1230 C VAL A 79 -5.816 7.831 3.389 1.00 0.92 C ATOM 1231 O VAL A 79 -6.723 7.575 4.154 1.00 1.12 O ATOM 1232 CB VAL A 79 -3.711 6.619 2.676 1.00 0.79 C ATOM 1233 CG1 VAL A 79 -3.314 6.790 4.148 1.00 0.89 C ATOM 1234 CG2 VAL A 79 -3.282 5.226 2.196 1.00 0.79 C ATOM 0 H VAL A 79 -4.646 7.052 0.452 1.00 0.77 H new ATOM 0 HA VAL A 79 -5.726 5.817 2.735 1.00 0.81 H new ATOM 0 HB VAL A 79 -3.214 7.402 2.103 1.00 0.79 H new ATOM 0 HG11 VAL A 79 -2.233 6.688 4.248 1.00 0.89 H new ATOM 0 HG12 VAL A 79 -3.618 7.778 4.495 1.00 0.89 H new ATOM 0 HG13 VAL A 79 -3.808 6.026 4.749 1.00 0.89 H new ATOM 0 HG21 VAL A 79 -2.206 5.111 2.328 1.00 0.79 H new ATOM 0 HG22 VAL A 79 -3.802 4.465 2.777 1.00 0.79 H new ATOM 0 HG23 VAL A 79 -3.533 5.111 1.141 1.00 0.79 H new ATOM 1244 N LYS A 80 -5.308 9.020 3.252 1.00 0.93 N ATOM 1245 CA LYS A 80 -5.794 10.134 4.115 1.00 1.14 C ATOM 1246 C LYS A 80 -7.329 10.236 4.093 1.00 1.37 C ATOM 1247 O LYS A 80 -7.973 10.260 5.136 1.00 1.98 O ATOM 1248 CB LYS A 80 -5.179 11.440 3.583 1.00 1.15 C ATOM 1249 CG LYS A 80 -5.086 12.509 4.690 1.00 1.37 C ATOM 1250 CD LYS A 80 -6.485 13.047 5.068 1.00 2.20 C ATOM 1251 CE LYS A 80 -6.811 12.718 6.539 1.00 2.71 C ATOM 1252 NZ LYS A 80 -8.188 12.185 6.674 1.00 3.11 N ATOM 0 H LYS A 80 -4.580 9.271 2.583 1.00 0.93 H new ATOM 0 HA LYS A 80 -5.495 9.950 5.147 1.00 1.14 H new ATOM 0 HB2 LYS A 80 -4.185 11.240 3.184 1.00 1.15 H new ATOM 0 HB3 LYS A 80 -5.783 11.819 2.759 1.00 1.15 H new ATOM 0 HG2 LYS A 80 -4.607 12.082 5.572 1.00 1.37 H new ATOM 0 HG3 LYS A 80 -4.456 13.332 4.352 1.00 1.37 H new ATOM 0 HD2 LYS A 80 -6.520 14.126 4.914 1.00 2.20 H new ATOM 0 HD3 LYS A 80 -7.239 12.607 4.415 1.00 2.20 H new ATOM 0 HE2 LYS A 80 -6.096 11.988 6.919 1.00 2.71 H new ATOM 0 HE3 LYS A 80 -6.704 13.616 7.148 1.00 2.71 H new ATOM 0 HZ1 LYS A 80 -8.319 11.800 7.631 1.00 3.11 H new ATOM 0 HZ2 LYS A 80 -8.874 12.950 6.512 1.00 3.11 H new ATOM 0 HZ3 LYS A 80 -8.339 11.431 5.974 1.00 3.11 H new ATOM 1266 N GLU A 81 -7.853 10.261 2.897 1.00 1.16 N ATOM 1267 CA GLU A 81 -9.327 10.425 2.685 1.00 1.34 C ATOM 1268 C GLU A 81 -10.215 9.277 3.192 1.00 1.38 C ATOM 1269 O GLU A 81 -11.283 9.533 3.719 1.00 1.75 O ATOM 1270 CB GLU A 81 -9.594 10.600 1.171 1.00 1.52 C ATOM 1271 CG GLU A 81 -8.690 11.690 0.559 1.00 1.92 C ATOM 1272 CD GLU A 81 -8.933 11.782 -0.964 1.00 2.92 C ATOM 1273 OE1 GLU A 81 -10.058 12.109 -1.326 1.00 3.94 O ATOM 1274 OE2 GLU A 81 -7.974 11.529 -1.690 1.00 3.61 O ATOM 0 H GLU A 81 -7.312 10.173 2.037 1.00 1.16 H new ATOM 0 HA GLU A 81 -9.601 11.296 3.280 1.00 1.34 H new ATOM 0 HB2 GLU A 81 -9.422 9.653 0.659 1.00 1.52 H new ATOM 0 HB3 GLU A 81 -10.640 10.863 1.013 1.00 1.52 H new ATOM 0 HG2 GLU A 81 -8.897 12.652 1.028 1.00 1.92 H new ATOM 0 HG3 GLU A 81 -7.643 11.459 0.756 1.00 1.92 H new ATOM 1281 N ASN A 82 -9.802 8.053 3.025 1.00 1.31 N ATOM 1282 CA ASN A 82 -10.689 6.932 3.474 1.00 1.34 C ATOM 1283 C ASN A 82 -10.242 6.243 4.750 1.00 1.43 C ATOM 1284 O ASN A 82 -11.034 5.546 5.357 1.00 1.65 O ATOM 1285 CB ASN A 82 -10.759 5.907 2.348 1.00 1.40 C ATOM 1286 CG ASN A 82 -11.336 6.608 1.124 1.00 1.24 C ATOM 1287 OD1 ASN A 82 -12.519 6.566 0.867 1.00 1.57 O ATOM 1288 ND2 ASN A 82 -10.535 7.294 0.368 1.00 1.43 N ATOM 0 H ASN A 82 -8.912 7.778 2.608 1.00 1.31 H new ATOM 0 HA ASN A 82 -11.661 7.369 3.702 1.00 1.34 H new ATOM 0 HB2 ASN A 82 -9.768 5.509 2.130 1.00 1.40 H new ATOM 0 HB3 ASN A 82 -11.385 5.063 2.637 1.00 1.40 H new ATOM 0 HD21 ASN A 82 -10.902 7.796 -0.440 1.00 1.43 H new ATOM 0 HD22 ASN A 82 -9.538 7.331 0.582 1.00 1.43 H new ATOM 1295 N LEU A 83 -9.016 6.417 5.147 1.00 1.36 N ATOM 1296 CA LEU A 83 -8.585 5.734 6.397 1.00 1.59 C ATOM 1297 C LEU A 83 -8.662 6.682 7.577 1.00 1.81 C ATOM 1298 O LEU A 83 -8.742 6.216 8.710 1.00 2.06 O ATOM 1299 CB LEU A 83 -7.149 5.216 6.258 1.00 1.56 C ATOM 1300 CG LEU A 83 -7.053 4.224 5.089 1.00 1.45 C ATOM 1301 CD1 LEU A 83 -5.639 3.650 5.038 1.00 1.55 C ATOM 1302 CD2 LEU A 83 -8.053 3.074 5.264 1.00 1.55 C ATOM 0 H LEU A 83 -8.310 6.985 4.678 1.00 1.36 H new ATOM 0 HA LEU A 83 -9.257 4.893 6.568 1.00 1.59 H new ATOM 0 HB2 LEU A 83 -6.468 6.051 6.093 1.00 1.56 H new ATOM 0 HB3 LEU A 83 -6.839 4.730 7.183 1.00 1.56 H new ATOM 0 HG LEU A 83 -7.286 4.751 4.164 1.00 1.45 H new ATOM 0 HD11 LEU A 83 -5.562 2.945 4.211 1.00 1.55 H new ATOM 0 HD12 LEU A 83 -4.923 4.459 4.893 1.00 1.55 H new ATOM 0 HD13 LEU A 83 -5.421 3.136 5.974 1.00 1.55 H new ATOM 0 HD21 LEU A 83 -7.966 2.385 4.424 1.00 1.55 H new ATOM 0 HD22 LEU A 83 -7.839 2.544 6.192 1.00 1.55 H new ATOM 0 HD23 LEU A 83 -9.066 3.475 5.301 1.00 1.55 H new ATOM 1314 N ASP A 84 -8.644 7.970 7.303 1.00 1.88 N ATOM 1315 CA ASP A 84 -8.708 8.930 8.440 1.00 2.18 C ATOM 1316 C ASP A 84 -9.619 10.113 8.119 1.00 2.36 C ATOM 1317 O ASP A 84 -9.352 11.206 8.577 1.00 2.97 O ATOM 1318 CB ASP A 84 -7.284 9.425 8.738 1.00 2.99 C ATOM 1319 CG ASP A 84 -6.407 8.226 9.111 1.00 3.84 C ATOM 1320 OD1 ASP A 84 -6.383 7.907 10.292 1.00 4.68 O ATOM 1321 OD2 ASP A 84 -5.833 7.665 8.187 1.00 4.38 O ATOM 0 H ASP A 84 -8.590 8.381 6.371 1.00 1.88 H new ATOM 0 HA ASP A 84 -9.125 8.425 9.311 1.00 2.18 H new ATOM 0 HB2 ASP A 84 -6.873 9.936 7.867 1.00 2.99 H new ATOM 0 HB3 ASP A 84 -7.300 10.148 9.553 1.00 2.99 H new ATOM 1326 N ALA A 85 -10.645 9.880 7.334 1.00 2.56 N ATOM 1327 CA ALA A 85 -11.597 10.986 6.970 1.00 3.29 C ATOM 1328 C ALA A 85 -10.831 12.213 6.427 1.00 4.37 C ATOM 1329 O ALA A 85 -10.633 13.146 7.191 1.00 5.34 O ATOM 1330 CB ALA A 85 -12.423 11.365 8.216 1.00 3.88 C ATOM 0 H ALA A 85 -10.867 8.971 6.928 1.00 2.56 H new ATOM 0 HA ALA A 85 -12.267 10.642 6.182 1.00 3.29 H new ATOM 0 HB1 ALA A 85 -13.117 12.167 7.963 1.00 3.88 H new ATOM 0 HB2 ALA A 85 -12.983 10.495 8.560 1.00 3.88 H new ATOM 0 HB3 ALA A 85 -11.754 11.701 9.008 1.00 3.88 H new TER 1336 ALA A 85