USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 SER OG : rot -63:sc= 0.634 USER MOD Set 1.2: A 26 ASN :FLIP amide:sc= -0.973 F(o=-4.7!,f=-0.34) USER MOD Single : A 1 MET CE :methyl 170:sc= -0.0275 (180deg=-0.29) USER MOD Single : A 1 MET N :NH3+ -177:sc= -2.35! (180deg=-2.49!) USER MOD Single : A 2 GLN : amide:sc= 0.743 K(o=0.74,f=-0.0096) USER MOD Single : A 3 THR OG1 : rot 150:sc= 0.606 USER MOD Single : A 9 SER OG : rot 75:sc= 0.896 USER MOD Single : A 13 TYR OH : rot -49:sc= 1.29 USER MOD Single : A 18 LYS NZ :NH3+ -132:sc= -2.11! (180deg=-5.26!) USER MOD Single : A 23 LYS NZ :NH3+ -145:sc= -5.9! (180deg=-8.18!) USER MOD Single : A 32 GLN : amide:sc= 0.525 K(o=0.52,f=0) USER MOD Single : A 33 TYR OH : rot -120:sc= 0.781 USER MOD Single : A 34 GLN : amide:sc= -0.0231 X(o=-0.023,f=-0.44) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.597 USER MOD Single : A 44 THR OG1 : rot 111:sc= 0.0855 USER MOD Single : A 45 LYS NZ :NH3+ -117:sc= -0.539 (180deg=-2.94!) USER MOD Single : A 49 GLN : amide:sc= -2.4! C(o=-2.4!,f=-2.1!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= -0.177 (180deg=-0.753) USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= 0.564 (180deg=0.0722) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 61 GLN : amide:sc= -3.32 K(o=-3.3,f=-6.9!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.00078) USER MOD Single : A 67 GLN : amide:sc=-0.00268 X(o=-0.0027,f=-0.046) USER MOD Single : A 68 HIS : no HE2:sc= -2.54 X(o=-2.5,f=-2.9) USER MOD Single : A 72 TYR OH : rot 130:sc= 1.04 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 80 LYS NZ :NH3+ -117:sc= -2.29! (180deg=-8.69!) USER MOD Single : A 82 ASN : amide:sc= -1.27 X(o=-1.3,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.317 -3.362 7.044 1.00 1.78 N ATOM 2 CA MET A 1 -8.084 -3.515 5.577 1.00 1.21 C ATOM 3 C MET A 1 -6.626 -3.919 5.339 1.00 1.09 C ATOM 4 O MET A 1 -5.805 -3.760 6.225 1.00 1.22 O ATOM 5 CB MET A 1 -8.367 -2.194 4.836 1.00 1.55 C ATOM 6 CG MET A 1 -7.557 -1.032 5.447 1.00 2.34 C ATOM 7 SD MET A 1 -7.553 0.546 4.554 1.00 2.91 S ATOM 8 CE MET A 1 -9.347 0.794 4.472 1.00 1.40 C ATOM 0 H1 MET A 1 -9.318 -3.137 7.215 1.00 1.78 H new ATOM 0 H2 MET A 1 -8.074 -4.249 7.529 1.00 1.78 H new ATOM 0 H3 MET A 1 -7.722 -2.592 7.412 1.00 1.78 H new ATOM 0 HA MET A 1 -8.758 -4.282 5.196 1.00 1.21 H new ATOM 0 HB2 MET A 1 -8.114 -2.303 3.781 1.00 1.55 H new ATOM 0 HB3 MET A 1 -9.432 -1.966 4.886 1.00 1.55 H new ATOM 0 HG2 MET A 1 -7.937 -0.849 6.452 1.00 2.34 H new ATOM 0 HG3 MET A 1 -6.523 -1.361 5.552 1.00 2.34 H new ATOM 0 HE1 MET A 1 -9.559 1.801 4.114 1.00 1.40 H new ATOM 0 HE2 MET A 1 -9.784 0.066 3.788 1.00 1.40 H new ATOM 0 HE3 MET A 1 -9.778 0.664 5.465 1.00 1.40 H new ATOM 18 N GLN A 2 -6.330 -4.381 4.141 1.00 1.04 N ATOM 19 CA GLN A 2 -4.939 -4.806 3.821 1.00 1.11 C ATOM 20 C GLN A 2 -4.404 -4.042 2.594 1.00 1.02 C ATOM 21 O GLN A 2 -5.022 -4.024 1.546 1.00 1.27 O ATOM 22 CB GLN A 2 -4.935 -6.317 3.565 1.00 1.31 C ATOM 23 CG GLN A 2 -5.817 -6.622 2.364 1.00 2.48 C ATOM 24 CD GLN A 2 -6.186 -8.106 2.334 1.00 2.95 C ATOM 25 OE1 GLN A 2 -5.350 -8.971 2.488 1.00 3.60 O ATOM 26 NE2 GLN A 2 -7.425 -8.442 2.136 1.00 3.66 N ATOM 0 H GLN A 2 -6.998 -4.479 3.376 1.00 1.04 H new ATOM 0 HA GLN A 2 -4.283 -4.576 4.661 1.00 1.11 H new ATOM 0 HB2 GLN A 2 -3.918 -6.664 3.382 1.00 1.31 H new ATOM 0 HB3 GLN A 2 -5.300 -6.848 4.444 1.00 1.31 H new ATOM 0 HG2 GLN A 2 -6.723 -6.017 2.407 1.00 2.48 H new ATOM 0 HG3 GLN A 2 -5.297 -6.352 1.445 1.00 2.48 H new ATOM 0 HE21 GLN A 2 -8.134 -7.721 2.006 1.00 3.66 H new ATOM 0 HE22 GLN A 2 -7.689 -9.427 2.111 1.00 3.66 H new ATOM 35 N THR A 3 -3.278 -3.411 2.752 1.00 0.91 N ATOM 36 CA THR A 3 -2.685 -2.660 1.607 1.00 0.88 C ATOM 37 C THR A 3 -1.686 -3.575 0.891 1.00 0.77 C ATOM 38 O THR A 3 -0.843 -4.179 1.529 1.00 0.88 O ATOM 39 CB THR A 3 -1.962 -1.421 2.156 1.00 0.98 C ATOM 40 OG1 THR A 3 -2.958 -0.683 2.865 1.00 1.12 O ATOM 41 CG2 THR A 3 -1.502 -0.493 1.025 1.00 1.02 C ATOM 0 H THR A 3 -2.742 -3.380 3.619 1.00 0.91 H new ATOM 0 HA THR A 3 -3.458 -2.347 0.906 1.00 0.88 H new ATOM 0 HB THR A 3 -1.102 -1.733 2.749 1.00 0.98 H new ATOM 0 HG1 THR A 3 -2.538 -0.189 3.600 1.00 1.12 H new ATOM 0 HG21 THR A 3 -0.994 0.373 1.449 1.00 1.02 H new ATOM 0 HG22 THR A 3 -0.817 -1.030 0.369 1.00 1.02 H new ATOM 0 HG23 THR A 3 -2.368 -0.162 0.452 1.00 1.02 H new ATOM 49 N VAL A 4 -1.777 -3.645 -0.410 1.00 0.62 N ATOM 50 CA VAL A 4 -0.851 -4.522 -1.180 1.00 0.54 C ATOM 51 C VAL A 4 0.036 -3.601 -2.002 1.00 0.52 C ATOM 52 O VAL A 4 -0.464 -2.813 -2.795 1.00 0.62 O ATOM 53 CB VAL A 4 -1.670 -5.447 -2.106 1.00 0.66 C ATOM 54 CG1 VAL A 4 -0.764 -6.563 -2.637 1.00 0.65 C ATOM 55 CG2 VAL A 4 -2.847 -6.071 -1.336 1.00 0.91 C ATOM 0 H VAL A 4 -2.455 -3.131 -0.973 1.00 0.62 H new ATOM 0 HA VAL A 4 -0.251 -5.150 -0.522 1.00 0.54 H new ATOM 0 HB VAL A 4 -2.063 -4.859 -2.935 1.00 0.66 H new ATOM 0 HG11 VAL A 4 -1.339 -7.218 -3.291 1.00 0.65 H new ATOM 0 HG12 VAL A 4 0.062 -6.125 -3.197 1.00 0.65 H new ATOM 0 HG13 VAL A 4 -0.370 -7.141 -1.801 1.00 0.65 H new ATOM 0 HG21 VAL A 4 -3.415 -6.720 -2.003 1.00 0.91 H new ATOM 0 HG22 VAL A 4 -2.465 -6.655 -0.499 1.00 0.91 H new ATOM 0 HG23 VAL A 4 -3.496 -5.280 -0.960 1.00 0.91 H new ATOM 65 N ILE A 5 1.310 -3.655 -1.740 1.00 0.47 N ATOM 66 CA ILE A 5 2.231 -2.774 -2.505 1.00 0.48 C ATOM 67 C ILE A 5 3.052 -3.636 -3.461 1.00 0.51 C ATOM 68 O ILE A 5 3.729 -4.551 -3.033 1.00 0.51 O ATOM 69 CB ILE A 5 3.157 -2.031 -1.523 1.00 0.51 C ATOM 70 CG1 ILE A 5 2.338 -1.324 -0.412 1.00 0.62 C ATOM 71 CG2 ILE A 5 3.984 -1.002 -2.312 1.00 0.51 C ATOM 72 CD1 ILE A 5 1.405 -0.259 -1.001 1.00 1.76 C ATOM 0 H ILE A 5 1.747 -4.258 -1.043 1.00 0.47 H new ATOM 0 HA ILE A 5 1.666 -2.039 -3.078 1.00 0.48 H new ATOM 0 HB ILE A 5 3.818 -2.749 -1.038 1.00 0.51 H new ATOM 0 HG12 ILE A 5 1.752 -2.062 0.136 1.00 0.62 H new ATOM 0 HG13 ILE A 5 3.017 -0.860 0.304 1.00 0.62 H new ATOM 0 HG21 ILE A 5 4.645 -0.467 -1.630 1.00 0.51 H new ATOM 0 HG22 ILE A 5 4.579 -1.516 -3.067 1.00 0.51 H new ATOM 0 HG23 ILE A 5 3.314 -0.293 -2.799 1.00 0.51 H new ATOM 0 HD11 ILE A 5 0.845 0.219 -0.197 1.00 1.76 H new ATOM 0 HD12 ILE A 5 1.995 0.491 -1.527 1.00 1.76 H new ATOM 0 HD13 ILE A 5 0.711 -0.729 -1.698 1.00 1.76 H new ATOM 84 N PHE A 6 3.012 -3.301 -4.729 1.00 0.65 N ATOM 85 CA PHE A 6 3.765 -4.077 -5.760 1.00 0.71 C ATOM 86 C PHE A 6 5.041 -3.323 -6.113 1.00 0.78 C ATOM 87 O PHE A 6 5.025 -2.418 -6.950 1.00 0.94 O ATOM 88 CB PHE A 6 2.924 -4.212 -7.039 1.00 0.83 C ATOM 89 CG PHE A 6 1.635 -4.991 -6.775 1.00 0.86 C ATOM 90 CD1 PHE A 6 0.533 -4.352 -6.245 1.00 1.16 C ATOM 91 CD2 PHE A 6 1.548 -6.334 -7.090 1.00 0.86 C ATOM 92 CE1 PHE A 6 -0.638 -5.045 -6.033 1.00 1.31 C ATOM 93 CE2 PHE A 6 0.375 -7.023 -6.877 1.00 0.95 C ATOM 94 CZ PHE A 6 -0.718 -6.379 -6.352 1.00 1.12 C ATOM 0 H PHE A 6 2.481 -2.511 -5.096 1.00 0.65 H new ATOM 0 HA PHE A 6 3.993 -5.065 -5.361 1.00 0.71 H new ATOM 0 HB2 PHE A 6 2.681 -3.221 -7.423 1.00 0.83 H new ATOM 0 HB3 PHE A 6 3.507 -4.718 -7.809 1.00 0.83 H new ATOM 0 HD1 PHE A 6 0.589 -3.303 -5.995 1.00 1.16 H new ATOM 0 HD2 PHE A 6 2.404 -6.845 -7.505 1.00 0.86 H new ATOM 0 HE1 PHE A 6 -1.496 -4.539 -5.615 1.00 1.31 H new ATOM 0 HE2 PHE A 6 0.315 -8.073 -7.124 1.00 0.95 H new ATOM 0 HZ PHE A 6 -1.639 -6.920 -6.190 1.00 1.12 H new ATOM 104 N GLY A 7 6.109 -3.706 -5.476 1.00 0.76 N ATOM 105 CA GLY A 7 7.408 -3.039 -5.737 1.00 0.90 C ATOM 106 C GLY A 7 8.352 -4.049 -6.371 1.00 0.85 C ATOM 107 O GLY A 7 7.947 -5.152 -6.718 1.00 0.93 O ATOM 0 H GLY A 7 6.137 -4.455 -4.784 1.00 0.76 H new ATOM 0 HA2 GLY A 7 7.268 -2.184 -6.399 1.00 0.90 H new ATOM 0 HA3 GLY A 7 7.831 -2.657 -4.808 1.00 0.90 H new ATOM 111 N ARG A 8 9.577 -3.654 -6.545 1.00 1.00 N ATOM 112 CA ARG A 8 10.569 -4.572 -7.160 1.00 1.30 C ATOM 113 C ARG A 8 11.944 -3.915 -7.110 1.00 2.29 C ATOM 114 O ARG A 8 12.057 -2.728 -6.855 1.00 2.98 O ATOM 115 CB ARG A 8 10.174 -4.817 -8.628 1.00 1.89 C ATOM 116 CG ARG A 8 10.023 -3.462 -9.360 1.00 2.22 C ATOM 117 CD ARG A 8 8.845 -3.505 -10.348 1.00 4.05 C ATOM 118 NE ARG A 8 7.652 -4.079 -9.647 1.00 5.76 N ATOM 119 CZ ARG A 8 6.640 -3.341 -9.298 1.00 7.40 C ATOM 120 NH1 ARG A 8 6.868 -2.183 -8.772 1.00 7.99 N ATOM 121 NH2 ARG A 8 5.435 -3.812 -9.433 1.00 8.79 N ATOM 0 H ARG A 8 9.936 -2.734 -6.288 1.00 1.00 H new ATOM 0 HA ARG A 8 10.593 -5.519 -6.621 1.00 1.30 H new ATOM 0 HB2 ARG A 8 10.931 -5.426 -9.122 1.00 1.89 H new ATOM 0 HB3 ARG A 8 9.238 -5.373 -8.675 1.00 1.89 H new ATOM 0 HG2 ARG A 8 9.865 -2.666 -8.633 1.00 2.22 H new ATOM 0 HG3 ARG A 8 10.944 -3.227 -9.894 1.00 2.22 H new ATOM 0 HD2 ARG A 8 8.622 -2.503 -10.714 1.00 4.05 H new ATOM 0 HD3 ARG A 8 9.102 -4.112 -11.216 1.00 4.05 H new ATOM 0 HE ARG A 8 7.633 -5.077 -9.438 1.00 5.76 H new ATOM 0 HH11 ARG A 8 7.827 -1.864 -8.638 1.00 7.99 H new ATOM 0 HH12 ARG A 8 6.089 -1.588 -8.491 1.00 7.99 H new ATOM 0 HH21 ARG A 8 5.293 -4.750 -9.809 1.00 8.79 H new ATOM 0 HH22 ARG A 8 4.632 -3.244 -9.163 1.00 8.79 H new ATOM 135 N SER A 9 12.957 -4.664 -7.442 1.00 3.32 N ATOM 136 CA SER A 9 14.323 -4.074 -7.429 1.00 4.50 C ATOM 137 C SER A 9 14.550 -3.516 -8.832 1.00 5.33 C ATOM 138 O SER A 9 15.474 -3.889 -9.534 1.00 6.05 O ATOM 139 CB SER A 9 15.358 -5.154 -7.091 1.00 4.80 C ATOM 140 OG SER A 9 15.223 -6.108 -8.139 1.00 5.77 O ATOM 0 H SER A 9 12.901 -5.644 -7.718 1.00 3.32 H new ATOM 0 HA SER A 9 14.423 -3.292 -6.677 1.00 4.50 H new ATOM 0 HB2 SER A 9 16.366 -4.742 -7.055 1.00 4.80 H new ATOM 0 HB3 SER A 9 15.162 -5.602 -6.117 1.00 4.80 H new ATOM 0 HG SER A 9 15.630 -5.755 -8.957 1.00 5.77 H new ATOM 146 N GLY A 10 13.612 -2.700 -9.218 1.00 5.69 N ATOM 147 CA GLY A 10 13.636 -2.043 -10.555 1.00 6.99 C ATOM 148 C GLY A 10 13.216 -0.588 -10.382 1.00 6.03 C ATOM 149 O GLY A 10 13.755 0.302 -11.006 1.00 6.31 O ATOM 0 H GLY A 10 12.805 -2.453 -8.645 1.00 5.69 H new ATOM 0 HA2 GLY A 10 14.634 -2.101 -10.988 1.00 6.99 H new ATOM 0 HA3 GLY A 10 12.961 -2.554 -11.241 1.00 6.99 H new ATOM 153 N CYS A 11 12.249 -0.380 -9.525 1.00 5.02 N ATOM 154 CA CYS A 11 11.778 1.003 -9.274 1.00 4.14 C ATOM 155 C CYS A 11 12.590 1.593 -8.112 1.00 3.58 C ATOM 156 O CYS A 11 13.104 0.873 -7.274 1.00 3.71 O ATOM 157 CB CYS A 11 10.287 0.948 -8.911 1.00 3.33 C ATOM 158 SG CYS A 11 9.794 -0.281 -7.671 1.00 2.32 S ATOM 0 H CYS A 11 11.771 -1.108 -8.994 1.00 5.02 H new ATOM 0 HA CYS A 11 11.911 1.629 -10.156 1.00 4.14 H new ATOM 0 HB2 CYS A 11 9.988 1.933 -8.552 1.00 3.33 H new ATOM 0 HB3 CYS A 11 9.722 0.756 -9.823 1.00 3.33 H new ATOM 163 N PRO A 12 12.733 2.891 -8.129 1.00 3.81 N ATOM 164 CA PRO A 12 12.806 3.698 -6.897 1.00 3.53 C ATOM 165 C PRO A 12 11.399 4.155 -6.517 1.00 3.15 C ATOM 166 O PRO A 12 10.445 3.807 -7.189 1.00 4.69 O ATOM 167 CB PRO A 12 13.686 4.896 -7.289 1.00 3.67 C ATOM 168 CG PRO A 12 13.933 4.794 -8.819 1.00 4.26 C ATOM 169 CD PRO A 12 13.032 3.668 -9.346 1.00 4.51 C ATOM 0 HA PRO A 12 13.211 3.158 -6.041 1.00 3.53 H new ATOM 0 HB2 PRO A 12 13.193 5.835 -7.039 1.00 3.67 H new ATOM 0 HB3 PRO A 12 14.630 4.877 -6.744 1.00 3.67 H new ATOM 0 HG2 PRO A 12 13.698 5.738 -9.311 1.00 4.26 H new ATOM 0 HG3 PRO A 12 14.981 4.578 -9.027 1.00 4.26 H new ATOM 0 HD2 PRO A 12 12.126 4.059 -9.809 1.00 4.51 H new ATOM 0 HD3 PRO A 12 13.539 3.063 -10.098 1.00 4.51 H new ATOM 177 N TYR A 13 11.286 4.870 -5.424 1.00 1.62 N ATOM 178 CA TYR A 13 9.941 5.384 -4.984 1.00 1.50 C ATOM 179 C TYR A 13 9.090 4.275 -4.343 1.00 1.28 C ATOM 180 O TYR A 13 8.424 4.516 -3.359 1.00 1.47 O ATOM 181 CB TYR A 13 9.200 5.961 -6.205 1.00 1.74 C ATOM 182 CG TYR A 13 8.086 6.949 -5.825 1.00 1.60 C ATOM 183 CD1 TYR A 13 7.711 7.204 -4.514 1.00 2.52 C ATOM 184 CD2 TYR A 13 7.441 7.623 -6.835 1.00 2.24 C ATOM 185 CE1 TYR A 13 6.716 8.118 -4.235 1.00 2.99 C ATOM 186 CE2 TYR A 13 6.453 8.535 -6.557 1.00 2.59 C ATOM 187 CZ TYR A 13 6.083 8.795 -5.257 1.00 2.63 C ATOM 188 OH TYR A 13 5.131 9.748 -4.988 1.00 3.37 O ATOM 0 H TYR A 13 12.064 5.122 -4.815 1.00 1.62 H new ATOM 0 HA TYR A 13 10.100 6.158 -4.233 1.00 1.50 H new ATOM 0 HB2 TYR A 13 9.918 6.464 -6.853 1.00 1.74 H new ATOM 0 HB3 TYR A 13 8.770 5.142 -6.781 1.00 1.74 H new ATOM 0 HD1 TYR A 13 8.202 6.683 -3.705 1.00 2.52 H new ATOM 0 HD2 TYR A 13 7.715 7.432 -7.862 1.00 2.24 H new ATOM 0 HE1 TYR A 13 6.431 8.305 -3.210 1.00 2.99 H new ATOM 0 HE2 TYR A 13 5.961 9.054 -7.367 1.00 2.59 H new ATOM 0 HH TYR A 13 4.478 9.388 -4.352 1.00 3.37 H new ATOM 198 N CYS A 14 9.194 3.068 -4.863 1.00 1.12 N ATOM 199 CA CYS A 14 8.369 1.931 -4.316 1.00 0.99 C ATOM 200 C CYS A 14 8.466 1.836 -2.795 1.00 0.79 C ATOM 201 O CYS A 14 7.515 1.422 -2.157 1.00 0.73 O ATOM 202 CB CYS A 14 8.822 0.589 -4.927 1.00 1.01 C ATOM 203 SG CYS A 14 10.342 0.539 -5.905 1.00 1.78 S ATOM 0 H CYS A 14 9.810 2.821 -5.638 1.00 1.12 H new ATOM 0 HA CYS A 14 7.333 2.135 -4.588 1.00 0.99 H new ATOM 0 HB2 CYS A 14 8.933 -0.124 -4.110 1.00 1.01 H new ATOM 0 HB3 CYS A 14 8.012 0.225 -5.559 1.00 1.01 H new ATOM 208 N VAL A 15 9.589 2.201 -2.241 1.00 0.84 N ATOM 209 CA VAL A 15 9.729 2.139 -0.755 1.00 0.74 C ATOM 210 C VAL A 15 8.672 3.040 -0.097 1.00 0.69 C ATOM 211 O VAL A 15 7.910 2.593 0.729 1.00 0.81 O ATOM 212 CB VAL A 15 11.140 2.601 -0.365 1.00 0.93 C ATOM 213 CG1 VAL A 15 11.314 2.523 1.159 1.00 0.93 C ATOM 214 CG2 VAL A 15 12.149 1.657 -1.029 1.00 1.12 C ATOM 0 H VAL A 15 10.410 2.537 -2.745 1.00 0.84 H new ATOM 0 HA VAL A 15 9.577 1.116 -0.411 1.00 0.74 H new ATOM 0 HB VAL A 15 11.297 3.630 -0.689 1.00 0.93 H new ATOM 0 HG11 VAL A 15 12.318 2.852 1.428 1.00 0.93 H new ATOM 0 HG12 VAL A 15 10.579 3.167 1.643 1.00 0.93 H new ATOM 0 HG13 VAL A 15 11.169 1.495 1.490 1.00 0.93 H new ATOM 0 HG21 VAL A 15 13.162 1.964 -0.767 1.00 1.12 H new ATOM 0 HG22 VAL A 15 11.978 0.638 -0.681 1.00 1.12 H new ATOM 0 HG23 VAL A 15 12.026 1.696 -2.111 1.00 1.12 H new ATOM 224 N ARG A 16 8.651 4.284 -0.522 1.00 0.72 N ATOM 225 CA ARG A 16 7.685 5.288 0.034 1.00 0.78 C ATOM 226 C ARG A 16 6.334 4.681 0.417 1.00 0.80 C ATOM 227 O ARG A 16 5.851 4.882 1.515 1.00 1.30 O ATOM 228 CB ARG A 16 7.472 6.409 -0.996 1.00 0.93 C ATOM 229 CG ARG A 16 8.731 7.303 -1.127 1.00 1.24 C ATOM 230 CD ARG A 16 9.477 7.478 0.223 1.00 1.84 C ATOM 231 NE ARG A 16 8.555 7.823 1.370 1.00 1.96 N ATOM 232 CZ ARG A 16 7.333 8.214 1.175 1.00 2.86 C ATOM 233 NH1 ARG A 16 7.123 9.304 0.499 1.00 4.20 N ATOM 234 NH2 ARG A 16 6.366 7.498 1.639 1.00 3.74 N ATOM 0 H ARG A 16 9.273 4.651 -1.242 1.00 0.72 H new ATOM 0 HA ARG A 16 8.124 5.679 0.952 1.00 0.78 H new ATOM 0 HB2 ARG A 16 7.231 5.973 -1.966 1.00 0.93 H new ATOM 0 HB3 ARG A 16 6.619 7.020 -0.700 1.00 0.93 H new ATOM 0 HG2 ARG A 16 9.409 6.865 -1.859 1.00 1.24 H new ATOM 0 HG3 ARG A 16 8.440 8.282 -1.507 1.00 1.24 H new ATOM 0 HD2 ARG A 16 10.011 6.557 0.458 1.00 1.84 H new ATOM 0 HD3 ARG A 16 10.226 8.263 0.118 1.00 1.84 H new ATOM 0 HE ARG A 16 8.904 7.746 2.326 1.00 1.96 H new ATOM 0 HH11 ARG A 16 7.912 9.836 0.132 1.00 4.20 H new ATOM 0 HH12 ARG A 16 6.169 9.627 0.336 1.00 4.20 H new ATOM 0 HH21 ARG A 16 6.567 6.639 2.150 1.00 3.74 H new ATOM 0 HH22 ARG A 16 5.400 7.791 1.495 1.00 3.74 H new ATOM 248 N ALA A 17 5.732 3.993 -0.506 1.00 0.73 N ATOM 249 CA ALA A 17 4.412 3.362 -0.208 1.00 0.69 C ATOM 250 C ALA A 17 4.566 2.358 0.935 1.00 0.59 C ATOM 251 O ALA A 17 3.811 2.366 1.889 1.00 0.63 O ATOM 252 CB ALA A 17 3.922 2.659 -1.463 1.00 0.81 C ATOM 0 H ALA A 17 6.089 3.838 -1.449 1.00 0.73 H new ATOM 0 HA ALA A 17 3.690 4.121 0.095 1.00 0.69 H new ATOM 0 HB1 ALA A 17 2.958 2.191 -1.265 1.00 0.81 H new ATOM 0 HB2 ALA A 17 3.814 3.385 -2.268 1.00 0.81 H new ATOM 0 HB3 ALA A 17 4.642 1.895 -1.757 1.00 0.81 H new ATOM 258 N LYS A 18 5.566 1.533 0.809 1.00 0.62 N ATOM 259 CA LYS A 18 5.827 0.511 1.857 1.00 0.67 C ATOM 260 C LYS A 18 5.930 1.181 3.242 1.00 0.63 C ATOM 261 O LYS A 18 5.287 0.735 4.183 1.00 0.74 O ATOM 262 CB LYS A 18 7.112 -0.238 1.456 1.00 0.85 C ATOM 263 CG LYS A 18 7.805 -0.867 2.670 1.00 1.10 C ATOM 264 CD LYS A 18 8.922 0.075 3.156 1.00 1.45 C ATOM 265 CE LYS A 18 9.511 -0.462 4.460 1.00 1.76 C ATOM 266 NZ LYS A 18 8.460 -0.609 5.502 1.00 1.84 N ATOM 0 H LYS A 18 6.216 1.523 0.023 1.00 0.62 H new ATOM 0 HA LYS A 18 5.009 -0.206 1.932 1.00 0.67 H new ATOM 0 HB2 LYS A 18 6.869 -1.016 0.732 1.00 0.85 H new ATOM 0 HB3 LYS A 18 7.797 0.452 0.964 1.00 0.85 H new ATOM 0 HG2 LYS A 18 7.083 -1.038 3.469 1.00 1.10 H new ATOM 0 HG3 LYS A 18 8.222 -1.838 2.404 1.00 1.10 H new ATOM 0 HD2 LYS A 18 9.701 0.154 2.398 1.00 1.45 H new ATOM 0 HD3 LYS A 18 8.525 1.078 3.310 1.00 1.45 H new ATOM 0 HE2 LYS A 18 9.985 -1.427 4.278 1.00 1.76 H new ATOM 0 HE3 LYS A 18 10.289 0.213 4.816 1.00 1.76 H new ATOM 0 HZ1 LYS A 18 8.791 -0.184 6.391 1.00 1.84 H new ATOM 0 HZ2 LYS A 18 7.592 -0.128 5.190 1.00 1.84 H new ATOM 0 HZ3 LYS A 18 8.261 -1.618 5.654 1.00 1.84 H new ATOM 280 N ASP A 19 6.697 2.250 3.354 1.00 0.55 N ATOM 281 CA ASP A 19 6.791 2.910 4.684 1.00 0.63 C ATOM 282 C ASP A 19 5.448 3.542 5.022 1.00 0.55 C ATOM 283 O ASP A 19 5.007 3.417 6.134 1.00 0.59 O ATOM 284 CB ASP A 19 7.913 3.966 4.745 1.00 0.86 C ATOM 285 CG ASP A 19 7.985 4.841 3.507 1.00 1.70 C ATOM 286 OD1 ASP A 19 8.531 4.335 2.558 1.00 2.77 O ATOM 287 OD2 ASP A 19 7.542 5.982 3.590 1.00 2.84 O ATOM 0 H ASP A 19 7.241 2.675 2.603 1.00 0.55 H new ATOM 0 HA ASP A 19 7.044 2.147 5.420 1.00 0.63 H new ATOM 0 HB2 ASP A 19 7.759 4.598 5.619 1.00 0.86 H new ATOM 0 HB3 ASP A 19 8.870 3.462 4.880 1.00 0.86 H new ATOM 292 N LEU A 20 4.813 4.194 4.087 1.00 0.53 N ATOM 293 CA LEU A 20 3.484 4.793 4.419 1.00 0.54 C ATOM 294 C LEU A 20 2.554 3.715 5.010 1.00 0.50 C ATOM 295 O LEU A 20 2.119 3.827 6.134 1.00 0.56 O ATOM 296 CB LEU A 20 2.850 5.395 3.152 1.00 0.59 C ATOM 297 CG LEU A 20 1.444 5.956 3.467 1.00 0.63 C ATOM 298 CD1 LEU A 20 1.540 7.150 4.424 1.00 0.91 C ATOM 299 CD2 LEU A 20 0.765 6.426 2.182 1.00 0.68 C ATOM 0 H LEU A 20 5.143 4.337 3.132 1.00 0.53 H new ATOM 0 HA LEU A 20 3.625 5.583 5.157 1.00 0.54 H new ATOM 0 HB2 LEU A 20 3.486 6.189 2.762 1.00 0.59 H new ATOM 0 HB3 LEU A 20 2.779 4.633 2.376 1.00 0.59 H new ATOM 0 HG LEU A 20 0.863 5.159 3.931 1.00 0.63 H new ATOM 0 HD11 LEU A 20 0.540 7.530 4.633 1.00 0.91 H new ATOM 0 HD12 LEU A 20 2.010 6.833 5.355 1.00 0.91 H new ATOM 0 HD13 LEU A 20 2.139 7.937 3.965 1.00 0.91 H new ATOM 0 HD21 LEU A 20 -0.224 6.819 2.416 1.00 0.68 H new ATOM 0 HD22 LEU A 20 1.366 7.208 1.718 1.00 0.68 H new ATOM 0 HD23 LEU A 20 0.668 5.587 1.494 1.00 0.68 H new ATOM 311 N ALA A 21 2.308 2.664 4.266 1.00 0.50 N ATOM 312 CA ALA A 21 1.401 1.595 4.779 1.00 0.57 C ATOM 313 C ALA A 21 1.974 0.962 6.049 1.00 0.59 C ATOM 314 O ALA A 21 1.275 0.830 7.045 1.00 0.59 O ATOM 315 CB ALA A 21 1.220 0.519 3.701 1.00 0.89 C ATOM 0 H ALA A 21 2.693 2.502 3.335 1.00 0.50 H new ATOM 0 HA ALA A 21 0.436 2.041 5.021 1.00 0.57 H new ATOM 0 HB1 ALA A 21 0.558 -0.262 4.074 1.00 0.89 H new ATOM 0 HB2 ALA A 21 0.784 0.968 2.808 1.00 0.89 H new ATOM 0 HB3 ALA A 21 2.189 0.086 3.453 1.00 0.89 H new ATOM 321 N GLU A 22 3.215 0.555 5.989 1.00 0.82 N ATOM 322 CA GLU A 22 3.828 -0.063 7.196 1.00 1.09 C ATOM 323 C GLU A 22 3.601 0.846 8.396 1.00 1.08 C ATOM 324 O GLU A 22 3.001 0.450 9.373 1.00 1.15 O ATOM 325 CB GLU A 22 5.325 -0.263 6.947 1.00 1.41 C ATOM 326 CG GLU A 22 6.025 -0.748 8.225 1.00 1.34 C ATOM 327 CD GLU A 22 7.422 -1.233 7.861 1.00 1.57 C ATOM 328 OE1 GLU A 22 7.475 -2.288 7.246 1.00 2.67 O ATOM 329 OE2 GLU A 22 8.348 -0.482 8.107 1.00 1.81 O ATOM 0 H GLU A 22 3.820 0.623 5.170 1.00 0.82 H new ATOM 0 HA GLU A 22 3.370 -1.031 7.400 1.00 1.09 H new ATOM 0 HB2 GLU A 22 5.472 -0.989 6.147 1.00 1.41 H new ATOM 0 HB3 GLU A 22 5.772 0.674 6.614 1.00 1.41 H new ATOM 0 HG2 GLU A 22 6.083 0.060 8.954 1.00 1.34 H new ATOM 0 HG3 GLU A 22 5.454 -1.553 8.687 1.00 1.34 H new ATOM 336 N LYS A 23 4.071 2.053 8.266 1.00 1.14 N ATOM 337 CA LYS A 23 3.919 3.045 9.362 1.00 1.35 C ATOM 338 C LYS A 23 2.461 3.079 9.848 1.00 1.18 C ATOM 339 O LYS A 23 2.209 2.916 11.027 1.00 1.39 O ATOM 340 CB LYS A 23 4.354 4.415 8.815 1.00 1.54 C ATOM 341 CG LYS A 23 4.291 5.514 9.893 1.00 1.66 C ATOM 342 CD LYS A 23 5.273 5.233 11.053 1.00 3.40 C ATOM 343 CE LYS A 23 4.511 4.613 12.231 1.00 4.69 C ATOM 344 NZ LYS A 23 3.341 5.471 12.574 1.00 4.45 N ATOM 0 H LYS A 23 4.559 2.397 7.439 1.00 1.14 H new ATOM 0 HA LYS A 23 4.539 2.775 10.217 1.00 1.35 H new ATOM 0 HB2 LYS A 23 5.371 4.345 8.428 1.00 1.54 H new ATOM 0 HB3 LYS A 23 3.713 4.691 7.978 1.00 1.54 H new ATOM 0 HG2 LYS A 23 4.525 6.479 9.443 1.00 1.66 H new ATOM 0 HG3 LYS A 23 3.276 5.583 10.284 1.00 1.66 H new ATOM 0 HD2 LYS A 23 6.061 4.558 10.720 1.00 3.40 H new ATOM 0 HD3 LYS A 23 5.757 6.158 11.366 1.00 3.40 H new ATOM 0 HE2 LYS A 23 4.175 3.609 11.972 1.00 4.69 H new ATOM 0 HE3 LYS A 23 5.170 4.517 13.094 1.00 4.69 H new ATOM 0 HZ1 LYS A 23 3.188 5.454 13.603 1.00 4.45 H new ATOM 0 HZ2 LYS A 23 3.525 6.448 12.267 1.00 4.45 H new ATOM 0 HZ3 LYS A 23 2.493 5.111 12.092 1.00 4.45 H new ATOM 358 N LEU A 24 1.542 3.283 8.936 1.00 0.91 N ATOM 359 CA LEU A 24 0.088 3.338 9.320 1.00 0.88 C ATOM 360 C LEU A 24 -0.370 2.174 10.207 1.00 0.69 C ATOM 361 O LEU A 24 -1.134 2.385 11.131 1.00 0.73 O ATOM 362 CB LEU A 24 -0.774 3.347 8.059 1.00 0.83 C ATOM 363 CG LEU A 24 -0.601 4.674 7.312 1.00 1.15 C ATOM 364 CD1 LEU A 24 -1.375 4.603 5.995 1.00 1.15 C ATOM 365 CD2 LEU A 24 -1.154 5.826 8.163 1.00 1.66 C ATOM 0 H LEU A 24 1.731 3.414 7.942 1.00 0.91 H new ATOM 0 HA LEU A 24 -0.031 4.252 9.901 1.00 0.88 H new ATOM 0 HB2 LEU A 24 -0.493 2.517 7.411 1.00 0.83 H new ATOM 0 HB3 LEU A 24 -1.822 3.204 8.324 1.00 0.83 H new ATOM 0 HG LEU A 24 0.457 4.849 7.117 1.00 1.15 H new ATOM 0 HD11 LEU A 24 -1.260 5.542 5.454 1.00 1.15 H new ATOM 0 HD12 LEU A 24 -0.987 3.785 5.388 1.00 1.15 H new ATOM 0 HD13 LEU A 24 -2.431 4.431 6.203 1.00 1.15 H new ATOM 0 HD21 LEU A 24 -1.028 6.767 7.627 1.00 1.66 H new ATOM 0 HD22 LEU A 24 -2.213 5.658 8.358 1.00 1.66 H new ATOM 0 HD23 LEU A 24 -0.614 5.872 9.108 1.00 1.66 H new ATOM 377 N SER A 25 0.027 0.975 9.883 1.00 0.56 N ATOM 378 CA SER A 25 -0.402 -0.203 10.731 1.00 0.55 C ATOM 379 C SER A 25 -0.159 0.018 12.242 1.00 0.75 C ATOM 380 O SER A 25 -0.758 -0.656 13.059 1.00 0.93 O ATOM 381 CB SER A 25 0.348 -1.467 10.294 1.00 0.73 C ATOM 382 OG SER A 25 1.640 -1.337 10.865 1.00 2.28 O ATOM 0 H SER A 25 0.620 0.749 9.084 1.00 0.56 H new ATOM 0 HA SER A 25 -1.475 -0.315 10.579 1.00 0.55 H new ATOM 0 HB2 SER A 25 -0.153 -2.367 10.650 1.00 0.73 H new ATOM 0 HB3 SER A 25 0.401 -1.540 9.208 1.00 0.73 H new ATOM 0 HG SER A 25 2.090 -0.555 10.482 1.00 2.28 H new ATOM 388 N ASN A 26 0.717 0.948 12.574 1.00 0.86 N ATOM 389 CA ASN A 26 1.036 1.222 14.017 1.00 1.10 C ATOM 390 C ASN A 26 0.271 2.456 14.542 1.00 1.20 C ATOM 391 O ASN A 26 0.389 2.803 15.701 1.00 1.64 O ATOM 392 CB ASN A 26 2.541 1.513 14.153 1.00 1.24 C ATOM 393 CG ASN A 26 3.428 0.386 13.594 1.00 1.91 C ATOM 394 OD1 ASN A 26 2.917 -0.619 12.955 1.00 2.65 O flip ATOM 395 ND2 ASN A 26 4.632 0.433 13.722 1.00 3.26 N flip ATOM 0 H ASN A 26 1.224 1.528 11.905 1.00 0.86 H new ATOM 0 HA ASN A 26 0.742 0.346 14.595 1.00 1.10 H new ATOM 0 HB2 ASN A 26 2.774 2.442 13.633 1.00 1.24 H new ATOM 0 HB3 ASN A 26 2.781 1.668 15.205 1.00 1.24 H new ATOM 0 HD21 ASN A 26 5.062 1.212 14.220 1.00 3.26 H new ATOM 0 HD22 ASN A 26 5.216 -0.307 13.331 1.00 3.26 H new ATOM 402 N GLU A 27 -0.468 3.091 13.668 1.00 1.14 N ATOM 403 CA GLU A 27 -1.253 4.314 14.037 1.00 1.32 C ATOM 404 C GLU A 27 -2.766 4.058 13.931 1.00 1.38 C ATOM 405 O GLU A 27 -3.566 4.632 14.659 1.00 1.79 O ATOM 406 CB GLU A 27 -0.891 5.439 13.048 1.00 1.43 C ATOM 407 CG GLU A 27 0.433 6.125 13.441 1.00 2.12 C ATOM 408 CD GLU A 27 1.152 6.710 12.209 1.00 2.35 C ATOM 409 OE1 GLU A 27 1.073 6.078 11.170 1.00 2.75 O ATOM 410 OE2 GLU A 27 1.879 7.671 12.419 1.00 3.35 O ATOM 0 H GLU A 27 -0.564 2.809 12.693 1.00 1.14 H new ATOM 0 HA GLU A 27 -1.011 4.585 15.065 1.00 1.32 H new ATOM 0 HB2 GLU A 27 -0.806 5.028 12.042 1.00 1.43 H new ATOM 0 HB3 GLU A 27 -1.693 6.177 13.024 1.00 1.43 H new ATOM 0 HG2 GLU A 27 0.233 6.920 14.159 1.00 2.12 H new ATOM 0 HG3 GLU A 27 1.084 5.405 13.936 1.00 2.12 H new ATOM 417 N ARG A 28 -3.139 3.224 12.996 1.00 1.19 N ATOM 418 CA ARG A 28 -4.593 2.959 12.811 1.00 1.32 C ATOM 419 C ARG A 28 -5.094 1.710 13.538 1.00 1.34 C ATOM 420 O ARG A 28 -4.378 1.076 14.288 1.00 1.82 O ATOM 421 CB ARG A 28 -4.880 2.816 11.312 1.00 1.38 C ATOM 422 CG ARG A 28 -4.299 4.006 10.529 1.00 1.99 C ATOM 423 CD ARG A 28 -4.753 5.347 11.130 1.00 2.00 C ATOM 424 NE ARG A 28 -6.157 5.226 11.666 1.00 2.40 N ATOM 425 CZ ARG A 28 -7.159 5.796 11.063 1.00 2.86 C ATOM 426 NH1 ARG A 28 -6.987 6.985 10.520 1.00 3.50 N ATOM 427 NH2 ARG A 28 -8.303 5.154 11.044 1.00 3.74 N ATOM 0 H ARG A 28 -2.513 2.724 12.365 1.00 1.19 H new ATOM 0 HA ARG A 28 -5.126 3.804 13.248 1.00 1.32 H new ATOM 0 HB2 ARG A 28 -4.449 1.886 10.942 1.00 1.38 H new ATOM 0 HB3 ARG A 28 -5.956 2.757 11.147 1.00 1.38 H new ATOM 0 HG2 ARG A 28 -3.210 3.952 10.536 1.00 1.99 H new ATOM 0 HG3 ARG A 28 -4.614 3.947 9.487 1.00 1.99 H new ATOM 0 HD2 ARG A 28 -4.075 5.644 11.930 1.00 2.00 H new ATOM 0 HD3 ARG A 28 -4.712 6.127 10.370 1.00 2.00 H new ATOM 0 HE ARG A 28 -6.324 4.688 12.516 1.00 2.40 H new ATOM 0 HH11 ARG A 28 -6.078 7.445 10.576 1.00 3.50 H new ATOM 0 HH12 ARG A 28 -7.763 7.445 10.044 1.00 3.50 H new ATOM 0 HH21 ARG A 28 -8.383 4.241 11.492 1.00 3.74 H new ATOM 0 HH22 ARG A 28 -9.112 5.568 10.581 1.00 3.74 H new ATOM 441 N ASP A 29 -6.341 1.411 13.263 1.00 1.77 N ATOM 442 CA ASP A 29 -7.029 0.246 13.884 1.00 2.07 C ATOM 443 C ASP A 29 -6.997 -1.001 12.968 1.00 1.51 C ATOM 444 O ASP A 29 -6.264 -1.930 13.238 1.00 1.76 O ATOM 445 CB ASP A 29 -8.480 0.691 14.171 1.00 2.88 C ATOM 446 CG ASP A 29 -9.141 1.256 12.897 1.00 4.21 C ATOM 447 OD1 ASP A 29 -8.733 2.351 12.484 1.00 4.96 O ATOM 448 OD2 ASP A 29 -9.976 0.541 12.371 1.00 5.15 O ATOM 0 H ASP A 29 -6.922 1.944 12.616 1.00 1.77 H new ATOM 0 HA ASP A 29 -6.520 -0.049 14.802 1.00 2.07 H new ATOM 0 HB2 ASP A 29 -9.058 -0.155 14.542 1.00 2.88 H new ATOM 0 HB3 ASP A 29 -8.485 1.448 14.955 1.00 2.88 H new ATOM 453 N ASP A 30 -7.748 -0.998 11.892 1.00 1.44 N ATOM 454 CA ASP A 30 -7.743 -2.187 10.985 1.00 1.18 C ATOM 455 C ASP A 30 -6.875 -1.875 9.766 1.00 1.06 C ATOM 456 O ASP A 30 -7.351 -1.778 8.637 1.00 1.81 O ATOM 457 CB ASP A 30 -9.184 -2.503 10.546 1.00 1.74 C ATOM 458 CG ASP A 30 -9.199 -3.682 9.559 1.00 2.96 C ATOM 459 OD1 ASP A 30 -8.195 -4.391 9.477 1.00 4.02 O ATOM 460 OD2 ASP A 30 -10.206 -3.796 8.883 1.00 3.56 O ATOM 0 H ASP A 30 -8.358 -0.232 11.606 1.00 1.44 H new ATOM 0 HA ASP A 30 -7.337 -3.054 11.505 1.00 1.18 H new ATOM 0 HB2 ASP A 30 -9.792 -2.743 11.418 1.00 1.74 H new ATOM 0 HB3 ASP A 30 -9.629 -1.624 10.079 1.00 1.74 H new ATOM 465 N PHE A 31 -5.608 -1.729 10.022 1.00 0.78 N ATOM 466 CA PHE A 31 -4.664 -1.413 8.919 1.00 0.62 C ATOM 467 C PHE A 31 -3.548 -2.457 8.865 1.00 0.61 C ATOM 468 O PHE A 31 -2.631 -2.442 9.662 1.00 0.77 O ATOM 469 CB PHE A 31 -4.067 -0.020 9.142 1.00 0.72 C ATOM 470 CG PHE A 31 -3.393 0.446 7.846 1.00 0.72 C ATOM 471 CD1 PHE A 31 -2.160 -0.055 7.480 1.00 0.57 C ATOM 472 CD2 PHE A 31 -4.035 1.338 7.002 1.00 1.12 C ATOM 473 CE1 PHE A 31 -1.579 0.319 6.291 1.00 0.68 C ATOM 474 CE2 PHE A 31 -3.447 1.718 5.812 1.00 1.34 C ATOM 475 CZ PHE A 31 -2.221 1.205 5.456 1.00 1.10 C ATOM 0 H PHE A 31 -5.185 -1.815 10.946 1.00 0.78 H new ATOM 0 HA PHE A 31 -5.202 -1.428 7.971 1.00 0.62 H new ATOM 0 HB2 PHE A 31 -4.848 0.682 9.434 1.00 0.72 H new ATOM 0 HB3 PHE A 31 -3.342 -0.047 9.955 1.00 0.72 H new ATOM 0 HD1 PHE A 31 -1.647 -0.746 8.133 1.00 0.57 H new ATOM 0 HD2 PHE A 31 -5.000 1.738 7.276 1.00 1.12 H new ATOM 0 HE1 PHE A 31 -0.617 -0.084 6.012 1.00 0.68 H new ATOM 0 HE2 PHE A 31 -3.949 2.418 5.161 1.00 1.34 H new ATOM 0 HZ PHE A 31 -1.763 1.497 4.523 1.00 1.10 H new ATOM 485 N GLN A 32 -3.672 -3.346 7.928 1.00 0.64 N ATOM 486 CA GLN A 32 -2.661 -4.418 7.729 1.00 0.67 C ATOM 487 C GLN A 32 -2.099 -4.225 6.314 1.00 0.68 C ATOM 488 O GLN A 32 -2.687 -3.513 5.513 1.00 1.24 O ATOM 489 CB GLN A 32 -3.378 -5.774 7.851 1.00 0.78 C ATOM 490 CG GLN A 32 -4.103 -5.853 9.210 1.00 0.98 C ATOM 491 CD GLN A 32 -5.140 -6.982 9.180 1.00 1.99 C ATOM 492 OE1 GLN A 32 -4.808 -8.135 9.012 1.00 2.63 O ATOM 493 NE2 GLN A 32 -6.408 -6.701 9.327 1.00 3.28 N ATOM 0 H GLN A 32 -4.453 -3.377 7.273 1.00 0.64 H new ATOM 0 HA GLN A 32 -1.855 -4.382 8.462 1.00 0.67 H new ATOM 0 HB2 GLN A 32 -4.094 -5.893 7.038 1.00 0.78 H new ATOM 0 HB3 GLN A 32 -2.658 -6.587 7.763 1.00 0.78 H new ATOM 0 HG2 GLN A 32 -3.382 -6.030 10.008 1.00 0.98 H new ATOM 0 HG3 GLN A 32 -4.592 -4.903 9.428 1.00 0.98 H new ATOM 0 HE21 GLN A 32 -6.703 -5.735 9.469 1.00 3.28 H new ATOM 0 HE22 GLN A 32 -7.102 -7.448 9.299 1.00 3.28 H new ATOM 502 N TYR A 33 -0.983 -4.810 6.002 1.00 0.57 N ATOM 503 CA TYR A 33 -0.448 -4.622 4.623 1.00 0.51 C ATOM 504 C TYR A 33 0.521 -5.743 4.280 1.00 0.56 C ATOM 505 O TYR A 33 1.008 -6.436 5.153 1.00 0.65 O ATOM 506 CB TYR A 33 0.271 -3.262 4.524 1.00 0.53 C ATOM 507 CG TYR A 33 1.589 -3.314 5.301 1.00 0.51 C ATOM 508 CD1 TYR A 33 1.609 -3.094 6.662 1.00 0.56 C ATOM 509 CD2 TYR A 33 2.764 -3.664 4.660 1.00 0.75 C ATOM 510 CE1 TYR A 33 2.779 -3.238 7.373 1.00 0.79 C ATOM 511 CE2 TYR A 33 3.930 -3.807 5.373 1.00 0.95 C ATOM 512 CZ TYR A 33 3.945 -3.600 6.733 1.00 0.97 C ATOM 513 OH TYR A 33 5.095 -3.809 7.457 1.00 1.31 O ATOM 0 H TYR A 33 -0.426 -5.398 6.622 1.00 0.57 H new ATOM 0 HA TYR A 33 -1.277 -4.643 3.916 1.00 0.51 H new ATOM 0 HB2 TYR A 33 0.464 -3.017 3.479 1.00 0.53 H new ATOM 0 HB3 TYR A 33 -0.366 -2.473 4.924 1.00 0.53 H new ATOM 0 HD1 TYR A 33 0.702 -2.807 7.173 1.00 0.56 H new ATOM 0 HD2 TYR A 33 2.765 -3.826 3.592 1.00 0.75 H new ATOM 0 HE1 TYR A 33 2.783 -3.066 8.439 1.00 0.79 H new ATOM 0 HE2 TYR A 33 4.841 -4.084 4.862 1.00 0.95 H new ATOM 0 HH TYR A 33 5.791 -3.190 7.151 1.00 1.31 H new ATOM 523 N GLN A 34 0.790 -5.859 3.015 1.00 0.57 N ATOM 524 CA GLN A 34 1.729 -6.902 2.527 1.00 0.63 C ATOM 525 C GLN A 34 2.662 -6.278 1.490 1.00 0.59 C ATOM 526 O GLN A 34 2.210 -5.521 0.638 1.00 0.63 O ATOM 527 CB GLN A 34 0.910 -8.025 1.870 1.00 0.80 C ATOM 528 CG GLN A 34 1.819 -9.195 1.458 1.00 1.09 C ATOM 529 CD GLN A 34 0.966 -10.272 0.773 1.00 2.40 C ATOM 530 OE1 GLN A 34 -0.116 -10.590 1.220 1.00 3.46 O ATOM 531 NE2 GLN A 34 1.410 -10.864 -0.302 1.00 3.45 N ATOM 0 H GLN A 34 0.393 -5.266 2.286 1.00 0.57 H new ATOM 0 HA GLN A 34 2.317 -7.305 3.352 1.00 0.63 H new ATOM 0 HB2 GLN A 34 0.147 -8.378 2.564 1.00 0.80 H new ATOM 0 HB3 GLN A 34 0.390 -7.637 0.994 1.00 0.80 H new ATOM 0 HG2 GLN A 34 2.599 -8.846 0.782 1.00 1.09 H new ATOM 0 HG3 GLN A 34 2.318 -9.610 2.333 1.00 1.09 H new ATOM 0 HE21 GLN A 34 2.318 -10.606 -0.688 1.00 3.45 H new ATOM 0 HE22 GLN A 34 0.849 -11.585 -0.756 1.00 3.45 H new ATOM 540 N TYR A 35 3.927 -6.605 1.558 1.00 0.61 N ATOM 541 CA TYR A 35 4.853 -6.042 0.543 1.00 0.66 C ATOM 542 C TYR A 35 4.966 -7.131 -0.499 1.00 0.62 C ATOM 543 O TYR A 35 5.044 -8.301 -0.157 1.00 0.63 O ATOM 544 CB TYR A 35 6.237 -5.725 1.130 1.00 0.73 C ATOM 545 CG TYR A 35 7.093 -5.046 0.036 1.00 0.78 C ATOM 546 CD1 TYR A 35 6.715 -3.823 -0.495 1.00 0.85 C ATOM 547 CD2 TYR A 35 8.213 -5.673 -0.479 1.00 1.20 C ATOM 548 CE1 TYR A 35 7.439 -3.247 -1.525 1.00 0.95 C ATOM 549 CE2 TYR A 35 8.932 -5.097 -1.510 1.00 1.28 C ATOM 550 CZ TYR A 35 8.548 -3.882 -2.046 1.00 0.99 C ATOM 551 OH TYR A 35 9.243 -3.335 -3.111 1.00 1.14 O ATOM 0 H TYR A 35 4.346 -7.221 2.254 1.00 0.61 H new ATOM 0 HA TYR A 35 4.481 -5.098 0.145 1.00 0.66 H new ATOM 0 HB2 TYR A 35 6.140 -5.069 1.995 1.00 0.73 H new ATOM 0 HB3 TYR A 35 6.720 -6.639 1.475 1.00 0.73 H new ATOM 0 HD1 TYR A 35 5.847 -3.314 -0.102 1.00 0.85 H new ATOM 0 HD2 TYR A 35 8.529 -6.622 -0.072 1.00 1.20 H new ATOM 0 HE1 TYR A 35 7.133 -2.291 -1.925 1.00 0.95 H new ATOM 0 HE2 TYR A 35 9.803 -5.602 -1.901 1.00 1.28 H new ATOM 0 HH TYR A 35 9.996 -3.918 -3.344 1.00 1.14 H new ATOM 561 N VAL A 36 4.927 -6.742 -1.733 1.00 0.63 N ATOM 562 CA VAL A 36 5.000 -7.742 -2.809 1.00 0.59 C ATOM 563 C VAL A 36 6.061 -7.379 -3.845 1.00 0.58 C ATOM 564 O VAL A 36 6.212 -6.220 -4.209 1.00 0.70 O ATOM 565 CB VAL A 36 3.577 -7.789 -3.413 1.00 0.57 C ATOM 566 CG1 VAL A 36 3.602 -7.978 -4.936 1.00 0.55 C ATOM 567 CG2 VAL A 36 2.812 -8.950 -2.768 1.00 0.61 C ATOM 0 H VAL A 36 4.848 -5.773 -2.040 1.00 0.63 H new ATOM 0 HA VAL A 36 5.303 -8.721 -2.437 1.00 0.59 H new ATOM 0 HB VAL A 36 3.087 -6.837 -3.210 1.00 0.57 H new ATOM 0 HG11 VAL A 36 2.581 -8.005 -5.316 1.00 0.55 H new ATOM 0 HG12 VAL A 36 4.139 -7.149 -5.397 1.00 0.55 H new ATOM 0 HG13 VAL A 36 4.104 -8.915 -5.178 1.00 0.55 H new ATOM 0 HG21 VAL A 36 1.805 -8.998 -3.183 1.00 0.61 H new ATOM 0 HG22 VAL A 36 3.333 -9.886 -2.971 1.00 0.61 H new ATOM 0 HG23 VAL A 36 2.753 -8.793 -1.691 1.00 0.61 H new ATOM 577 N ASP A 37 6.765 -8.403 -4.266 1.00 0.56 N ATOM 578 CA ASP A 37 7.815 -8.259 -5.307 1.00 0.67 C ATOM 579 C ASP A 37 7.308 -9.086 -6.491 1.00 0.80 C ATOM 580 O ASP A 37 6.980 -10.268 -6.359 1.00 1.17 O ATOM 581 CB ASP A 37 9.176 -8.810 -4.822 1.00 0.74 C ATOM 582 CG ASP A 37 10.282 -8.572 -5.884 1.00 0.95 C ATOM 583 OD1 ASP A 37 9.936 -8.324 -7.034 1.00 1.68 O ATOM 584 OD2 ASP A 37 11.441 -8.652 -5.505 1.00 1.79 O ATOM 0 H ASP A 37 6.647 -9.354 -3.918 1.00 0.56 H new ATOM 0 HA ASP A 37 7.981 -7.212 -5.561 1.00 0.67 H new ATOM 0 HB2 ASP A 37 9.455 -8.327 -3.886 1.00 0.74 H new ATOM 0 HB3 ASP A 37 9.088 -9.877 -4.616 1.00 0.74 H new ATOM 589 N ILE A 38 7.216 -8.441 -7.615 1.00 0.92 N ATOM 590 CA ILE A 38 6.726 -9.139 -8.835 1.00 1.12 C ATOM 591 C ILE A 38 7.480 -10.455 -9.085 1.00 1.36 C ATOM 592 O ILE A 38 6.863 -11.431 -9.478 1.00 1.68 O ATOM 593 CB ILE A 38 6.860 -8.206 -10.052 1.00 1.39 C ATOM 594 CG1 ILE A 38 8.337 -7.853 -10.261 1.00 1.81 C ATOM 595 CG2 ILE A 38 6.037 -6.936 -9.802 1.00 1.27 C ATOM 596 CD1 ILE A 38 8.530 -7.006 -11.528 1.00 1.90 C ATOM 0 H ILE A 38 7.459 -7.459 -7.744 1.00 0.92 H new ATOM 0 HA ILE A 38 5.677 -9.392 -8.680 1.00 1.12 H new ATOM 0 HB ILE A 38 6.487 -8.702 -10.948 1.00 1.39 H new ATOM 0 HG12 ILE A 38 8.710 -7.307 -9.395 1.00 1.81 H new ATOM 0 HG13 ILE A 38 8.925 -8.767 -10.338 1.00 1.81 H new ATOM 0 HG21 ILE A 38 6.127 -6.270 -10.660 1.00 1.27 H new ATOM 0 HG22 ILE A 38 4.990 -7.203 -9.658 1.00 1.27 H new ATOM 0 HG23 ILE A 38 6.409 -6.431 -8.910 1.00 1.27 H new ATOM 0 HD11 ILE A 38 9.587 -6.771 -11.651 1.00 1.90 H new ATOM 0 HD12 ILE A 38 8.179 -7.564 -12.396 1.00 1.90 H new ATOM 0 HD13 ILE A 38 7.961 -6.081 -11.438 1.00 1.90 H new ATOM 608 N ARG A 39 8.760 -10.469 -8.780 1.00 1.35 N ATOM 609 CA ARG A 39 9.586 -11.697 -9.036 1.00 1.60 C ATOM 610 C ARG A 39 9.447 -12.759 -7.939 1.00 1.52 C ATOM 611 O ARG A 39 10.130 -13.767 -7.994 1.00 1.84 O ATOM 612 CB ARG A 39 11.070 -11.310 -9.110 1.00 1.75 C ATOM 613 CG ARG A 39 11.268 -10.063 -9.983 1.00 1.93 C ATOM 614 CD ARG A 39 12.767 -9.821 -10.188 1.00 2.53 C ATOM 615 NE ARG A 39 13.440 -9.822 -8.851 1.00 2.98 N ATOM 616 CZ ARG A 39 14.068 -8.762 -8.452 1.00 4.01 C ATOM 617 NH1 ARG A 39 15.286 -8.572 -8.869 1.00 5.20 N ATOM 618 NH2 ARG A 39 13.461 -7.928 -7.656 1.00 4.62 N ATOM 0 H ARG A 39 9.266 -9.686 -8.366 1.00 1.35 H new ATOM 0 HA ARG A 39 9.222 -12.119 -9.973 1.00 1.60 H new ATOM 0 HB2 ARG A 39 11.451 -11.121 -8.106 1.00 1.75 H new ATOM 0 HB3 ARG A 39 11.647 -12.140 -9.518 1.00 1.75 H new ATOM 0 HG2 ARG A 39 10.775 -10.197 -10.946 1.00 1.93 H new ATOM 0 HG3 ARG A 39 10.810 -9.196 -9.508 1.00 1.93 H new ATOM 0 HD2 ARG A 39 13.191 -10.597 -10.825 1.00 2.53 H new ATOM 0 HD3 ARG A 39 12.931 -8.869 -10.693 1.00 2.53 H new ATOM 0 HE ARG A 39 13.404 -10.651 -8.258 1.00 2.98 H new ATOM 0 HH11 ARG A 39 15.722 -9.249 -9.494 1.00 5.20 H new ATOM 0 HH12 ARG A 39 15.804 -7.746 -8.571 1.00 5.20 H new ATOM 0 HH21 ARG A 39 12.504 -8.114 -7.356 1.00 4.62 H new ATOM 0 HH22 ARG A 39 13.943 -7.089 -7.333 1.00 4.62 H new ATOM 632 N ALA A 40 8.592 -12.526 -6.976 1.00 1.42 N ATOM 633 CA ALA A 40 8.418 -13.523 -5.872 1.00 1.45 C ATOM 634 C ALA A 40 7.020 -14.131 -5.936 1.00 1.70 C ATOM 635 O ALA A 40 6.859 -15.335 -5.844 1.00 1.96 O ATOM 636 CB ALA A 40 8.594 -12.823 -4.523 1.00 1.24 C ATOM 0 H ALA A 40 8.008 -11.693 -6.905 1.00 1.42 H new ATOM 0 HA ALA A 40 9.163 -14.311 -5.984 1.00 1.45 H new ATOM 0 HB1 ALA A 40 8.468 -13.547 -3.718 1.00 1.24 H new ATOM 0 HB2 ALA A 40 9.592 -12.388 -4.466 1.00 1.24 H new ATOM 0 HB3 ALA A 40 7.848 -12.035 -4.422 1.00 1.24 H new ATOM 642 N GLU A 41 6.046 -13.280 -6.100 1.00 1.70 N ATOM 643 CA GLU A 41 4.643 -13.777 -6.171 1.00 2.09 C ATOM 644 C GLU A 41 4.408 -14.444 -7.533 1.00 2.43 C ATOM 645 O GLU A 41 3.632 -15.374 -7.642 1.00 2.90 O ATOM 646 CB GLU A 41 3.671 -12.600 -5.980 1.00 1.96 C ATOM 647 CG GLU A 41 4.088 -11.755 -4.756 1.00 2.05 C ATOM 648 CD GLU A 41 3.985 -12.579 -3.463 1.00 2.75 C ATOM 649 OE1 GLU A 41 4.981 -13.206 -3.136 1.00 3.74 O ATOM 650 OE2 GLU A 41 2.916 -12.531 -2.880 1.00 3.29 O ATOM 0 H GLU A 41 6.158 -12.270 -6.187 1.00 1.70 H new ATOM 0 HA GLU A 41 4.470 -14.509 -5.382 1.00 2.09 H new ATOM 0 HB2 GLU A 41 3.663 -11.977 -6.875 1.00 1.96 H new ATOM 0 HB3 GLU A 41 2.657 -12.975 -5.843 1.00 1.96 H new ATOM 0 HG2 GLU A 41 5.110 -11.399 -4.885 1.00 2.05 H new ATOM 0 HG3 GLU A 41 3.451 -10.874 -4.683 1.00 2.05 H new ATOM 657 N GLY A 42 5.058 -13.929 -8.551 1.00 2.31 N ATOM 658 CA GLY A 42 4.906 -14.527 -9.920 1.00 2.73 C ATOM 659 C GLY A 42 3.901 -13.733 -10.748 1.00 2.77 C ATOM 660 O GLY A 42 3.045 -14.305 -11.395 1.00 3.08 O ATOM 0 H GLY A 42 5.684 -13.125 -8.495 1.00 2.31 H new ATOM 0 HA2 GLY A 42 5.872 -14.540 -10.426 1.00 2.73 H new ATOM 0 HA3 GLY A 42 4.577 -15.563 -9.835 1.00 2.73 H new ATOM 664 N ILE A 43 4.060 -12.440 -10.763 1.00 2.47 N ATOM 665 CA ILE A 43 3.099 -11.592 -11.529 1.00 2.52 C ATOM 666 C ILE A 43 3.819 -10.852 -12.654 1.00 2.57 C ATOM 667 O ILE A 43 4.976 -10.487 -12.518 1.00 2.49 O ATOM 668 CB ILE A 43 2.479 -10.561 -10.568 1.00 2.33 C ATOM 669 CG1 ILE A 43 1.677 -11.287 -9.477 1.00 2.39 C ATOM 670 CG2 ILE A 43 1.542 -9.627 -11.344 1.00 2.24 C ATOM 671 CD1 ILE A 43 1.238 -10.281 -8.404 1.00 2.25 C ATOM 0 H ILE A 43 4.805 -11.935 -10.284 1.00 2.47 H new ATOM 0 HA ILE A 43 2.327 -12.227 -11.963 1.00 2.52 H new ATOM 0 HB ILE A 43 3.277 -9.978 -10.109 1.00 2.33 H new ATOM 0 HG12 ILE A 43 0.804 -11.771 -9.915 1.00 2.39 H new ATOM 0 HG13 ILE A 43 2.284 -12.072 -9.027 1.00 2.39 H new ATOM 0 HG21 ILE A 43 1.106 -8.899 -10.660 1.00 2.24 H new ATOM 0 HG22 ILE A 43 2.106 -9.106 -12.117 1.00 2.24 H new ATOM 0 HG23 ILE A 43 0.747 -10.212 -11.807 1.00 2.24 H new ATOM 0 HD11 ILE A 43 0.669 -10.798 -7.631 1.00 2.25 H new ATOM 0 HD12 ILE A 43 2.118 -9.818 -7.958 1.00 2.25 H new ATOM 0 HD13 ILE A 43 0.614 -9.512 -8.860 1.00 2.25 H new ATOM 683 N THR A 44 3.114 -10.634 -13.730 1.00 2.76 N ATOM 684 CA THR A 44 3.700 -9.889 -14.882 1.00 2.88 C ATOM 685 C THR A 44 2.873 -8.608 -15.080 1.00 3.02 C ATOM 686 O THR A 44 1.834 -8.452 -14.457 1.00 3.71 O ATOM 687 CB THR A 44 3.650 -10.763 -16.139 1.00 3.11 C ATOM 688 OG1 THR A 44 2.282 -11.089 -16.341 1.00 3.30 O ATOM 689 CG2 THR A 44 4.347 -12.096 -15.894 1.00 3.23 C ATOM 0 H THR A 44 2.151 -10.942 -13.862 1.00 2.76 H new ATOM 0 HA THR A 44 4.742 -9.633 -14.690 1.00 2.88 H new ATOM 0 HB THR A 44 4.118 -10.235 -16.970 1.00 3.11 H new ATOM 0 HG1 THR A 44 1.954 -10.638 -17.147 1.00 3.30 H new ATOM 0 HG21 THR A 44 4.301 -12.702 -16.799 1.00 3.23 H new ATOM 0 HG22 THR A 44 5.389 -11.918 -15.629 1.00 3.23 H new ATOM 0 HG23 THR A 44 3.850 -12.622 -15.079 1.00 3.23 H new ATOM 697 N LYS A 45 3.332 -7.707 -15.922 1.00 2.67 N ATOM 698 CA LYS A 45 2.550 -6.443 -16.136 1.00 2.82 C ATOM 699 C LYS A 45 1.120 -6.805 -16.537 1.00 3.13 C ATOM 700 O LYS A 45 0.163 -6.286 -15.986 1.00 3.50 O ATOM 701 CB LYS A 45 3.197 -5.610 -17.263 1.00 3.14 C ATOM 702 CG LYS A 45 2.900 -4.100 -17.099 1.00 3.37 C ATOM 703 CD LYS A 45 1.389 -3.773 -17.039 1.00 5.16 C ATOM 704 CE LYS A 45 0.657 -4.200 -18.322 1.00 6.11 C ATOM 705 NZ LYS A 45 1.291 -3.545 -19.494 1.00 5.53 N ATOM 0 H LYS A 45 4.195 -7.788 -16.459 1.00 2.67 H new ATOM 0 HA LYS A 45 2.545 -5.859 -15.215 1.00 2.82 H new ATOM 0 HB2 LYS A 45 4.275 -5.771 -17.262 1.00 3.14 H new ATOM 0 HB3 LYS A 45 2.824 -5.952 -18.229 1.00 3.14 H new ATOM 0 HG2 LYS A 45 3.378 -3.740 -16.188 1.00 3.37 H new ATOM 0 HG3 LYS A 45 3.349 -3.557 -17.931 1.00 3.37 H new ATOM 0 HD2 LYS A 45 0.943 -4.277 -16.182 1.00 5.16 H new ATOM 0 HD3 LYS A 45 1.255 -2.702 -16.884 1.00 5.16 H new ATOM 0 HE2 LYS A 45 0.696 -5.284 -18.432 1.00 6.11 H new ATOM 0 HE3 LYS A 45 -0.396 -3.923 -18.262 1.00 6.11 H new ATOM 0 HZ1 LYS A 45 0.603 -2.914 -19.953 1.00 5.53 H new ATOM 0 HZ2 LYS A 45 2.113 -2.991 -19.179 1.00 5.53 H new ATOM 0 HZ3 LYS A 45 1.601 -4.271 -20.171 1.00 5.53 H new ATOM 719 N GLU A 46 1.031 -7.614 -17.566 1.00 3.07 N ATOM 720 CA GLU A 46 -0.294 -8.073 -18.084 1.00 3.37 C ATOM 721 C GLU A 46 -1.287 -8.259 -16.932 1.00 3.11 C ATOM 722 O GLU A 46 -2.292 -7.568 -16.859 1.00 3.05 O ATOM 723 CB GLU A 46 -0.129 -9.415 -18.827 1.00 3.79 C ATOM 724 CG GLU A 46 0.849 -9.281 -20.011 1.00 3.96 C ATOM 725 CD GLU A 46 2.217 -9.869 -19.640 1.00 4.42 C ATOM 726 OE1 GLU A 46 2.753 -9.378 -18.660 1.00 4.41 O ATOM 727 OE2 GLU A 46 2.642 -10.768 -20.342 1.00 5.38 O ATOM 0 H GLU A 46 1.835 -7.981 -18.076 1.00 3.07 H new ATOM 0 HA GLU A 46 -0.677 -7.315 -18.767 1.00 3.37 H new ATOM 0 HB2 GLU A 46 0.236 -10.174 -18.135 1.00 3.79 H new ATOM 0 HB3 GLU A 46 -1.099 -9.754 -19.190 1.00 3.79 H new ATOM 0 HG2 GLU A 46 0.448 -9.797 -20.883 1.00 3.96 H new ATOM 0 HG3 GLU A 46 0.959 -8.232 -20.284 1.00 3.96 H new ATOM 734 N ASP A 47 -0.957 -9.175 -16.050 1.00 3.01 N ATOM 735 CA ASP A 47 -1.836 -9.471 -14.870 1.00 2.88 C ATOM 736 C ASP A 47 -2.301 -8.188 -14.163 1.00 2.59 C ATOM 737 O ASP A 47 -3.494 -7.927 -14.041 1.00 2.59 O ATOM 738 CB ASP A 47 -1.033 -10.345 -13.884 1.00 2.77 C ATOM 739 CG ASP A 47 -1.859 -10.719 -12.634 1.00 3.51 C ATOM 740 OD1 ASP A 47 -3.016 -10.331 -12.584 1.00 3.95 O ATOM 741 OD2 ASP A 47 -1.281 -11.374 -11.786 1.00 4.41 O ATOM 0 H ASP A 47 -0.107 -9.736 -16.098 1.00 3.01 H new ATOM 0 HA ASP A 47 -2.730 -9.989 -15.218 1.00 2.88 H new ATOM 0 HB2 ASP A 47 -0.708 -11.255 -14.389 1.00 2.77 H new ATOM 0 HB3 ASP A 47 -0.133 -9.812 -13.577 1.00 2.77 H new ATOM 746 N LEU A 48 -1.351 -7.419 -13.706 1.00 2.39 N ATOM 747 CA LEU A 48 -1.699 -6.152 -12.987 1.00 2.19 C ATOM 748 C LEU A 48 -2.691 -5.307 -13.793 1.00 2.26 C ATOM 749 O LEU A 48 -3.664 -4.811 -13.247 1.00 2.25 O ATOM 750 CB LEU A 48 -0.411 -5.369 -12.699 1.00 2.11 C ATOM 751 CG LEU A 48 0.411 -6.136 -11.643 1.00 2.01 C ATOM 752 CD1 LEU A 48 1.813 -5.527 -11.542 1.00 2.02 C ATOM 753 CD2 LEU A 48 -0.271 -6.027 -10.266 1.00 2.04 C ATOM 0 H LEU A 48 -0.353 -7.608 -13.797 1.00 2.39 H new ATOM 0 HA LEU A 48 -2.187 -6.400 -12.045 1.00 2.19 H new ATOM 0 HB2 LEU A 48 0.169 -5.247 -13.614 1.00 2.11 H new ATOM 0 HB3 LEU A 48 -0.650 -4.369 -12.338 1.00 2.11 H new ATOM 0 HG LEU A 48 0.476 -7.182 -11.941 1.00 2.01 H new ATOM 0 HD11 LEU A 48 2.393 -6.070 -10.795 1.00 2.02 H new ATOM 0 HD12 LEU A 48 2.311 -5.597 -12.509 1.00 2.02 H new ATOM 0 HD13 LEU A 48 1.735 -4.480 -11.249 1.00 2.02 H new ATOM 0 HD21 LEU A 48 0.315 -6.571 -9.526 1.00 2.04 H new ATOM 0 HD22 LEU A 48 -0.339 -4.979 -9.976 1.00 2.04 H new ATOM 0 HD23 LEU A 48 -1.272 -6.454 -10.321 1.00 2.04 H new ATOM 765 N GLN A 49 -2.445 -5.175 -15.067 1.00 2.45 N ATOM 766 CA GLN A 49 -3.377 -4.376 -15.920 1.00 2.60 C ATOM 767 C GLN A 49 -4.834 -4.691 -15.550 1.00 2.51 C ATOM 768 O GLN A 49 -5.603 -3.803 -15.226 1.00 2.33 O ATOM 769 CB GLN A 49 -3.135 -4.750 -17.387 1.00 3.19 C ATOM 770 CG GLN A 49 -3.712 -3.684 -18.327 1.00 3.76 C ATOM 771 CD GLN A 49 -5.241 -3.613 -18.209 1.00 5.12 C ATOM 772 OE1 GLN A 49 -5.935 -4.601 -18.323 1.00 6.53 O ATOM 773 NE2 GLN A 49 -5.800 -2.468 -17.973 1.00 5.48 N ATOM 0 H GLN A 49 -1.646 -5.581 -15.554 1.00 2.45 H new ATOM 0 HA GLN A 49 -3.196 -3.313 -15.763 1.00 2.60 H new ATOM 0 HB2 GLN A 49 -2.065 -4.858 -17.567 1.00 3.19 H new ATOM 0 HB3 GLN A 49 -3.594 -5.715 -17.601 1.00 3.19 H new ATOM 0 HG2 GLN A 49 -3.280 -2.712 -18.088 1.00 3.76 H new ATOM 0 HG3 GLN A 49 -3.434 -3.913 -19.356 1.00 3.76 H new ATOM 0 HE21 GLN A 49 -5.226 -1.631 -17.875 1.00 5.48 H new ATOM 0 HE22 GLN A 49 -6.814 -2.404 -17.885 1.00 5.48 H new ATOM 782 N GLN A 50 -5.157 -5.958 -15.603 1.00 2.74 N ATOM 783 CA GLN A 50 -6.553 -6.419 -15.295 1.00 2.83 C ATOM 784 C GLN A 50 -7.108 -5.842 -13.979 1.00 2.47 C ATOM 785 O GLN A 50 -8.295 -5.598 -13.855 1.00 2.52 O ATOM 786 CB GLN A 50 -6.548 -7.949 -15.191 1.00 3.33 C ATOM 787 CG GLN A 50 -7.958 -8.488 -15.474 1.00 4.66 C ATOM 788 CD GLN A 50 -8.155 -9.824 -14.758 1.00 5.79 C ATOM 789 OE1 GLN A 50 -8.199 -9.883 -13.545 1.00 6.60 O ATOM 790 NE2 GLN A 50 -8.283 -10.913 -15.452 1.00 6.53 N ATOM 0 H GLN A 50 -4.508 -6.705 -15.849 1.00 2.74 H new ATOM 0 HA GLN A 50 -7.196 -6.064 -16.100 1.00 2.83 H new ATOM 0 HB2 GLN A 50 -5.837 -8.370 -15.902 1.00 3.33 H new ATOM 0 HB3 GLN A 50 -6.223 -8.255 -14.197 1.00 3.33 H new ATOM 0 HG2 GLN A 50 -8.706 -7.770 -15.137 1.00 4.66 H new ATOM 0 HG3 GLN A 50 -8.100 -8.616 -16.547 1.00 4.66 H new ATOM 0 HE21 GLN A 50 -8.248 -10.876 -16.471 1.00 6.53 H new ATOM 0 HE22 GLN A 50 -8.419 -11.806 -14.979 1.00 6.53 H new ATOM 799 N LYS A 51 -6.235 -5.660 -13.022 1.00 2.26 N ATOM 800 CA LYS A 51 -6.680 -5.138 -11.695 1.00 2.22 C ATOM 801 C LYS A 51 -6.617 -3.605 -11.634 1.00 1.75 C ATOM 802 O LYS A 51 -7.313 -2.991 -10.845 1.00 1.97 O ATOM 803 CB LYS A 51 -5.797 -5.742 -10.604 1.00 2.52 C ATOM 804 CG LYS A 51 -6.431 -7.063 -10.129 1.00 3.20 C ATOM 805 CD LYS A 51 -5.359 -8.020 -9.580 1.00 2.71 C ATOM 806 CE LYS A 51 -4.293 -8.282 -10.652 1.00 2.50 C ATOM 807 NZ LYS A 51 -4.932 -8.503 -11.982 1.00 3.39 N ATOM 0 H LYS A 51 -5.236 -5.850 -13.101 1.00 2.26 H new ATOM 0 HA LYS A 51 -7.720 -5.426 -11.542 1.00 2.22 H new ATOM 0 HB2 LYS A 51 -4.793 -5.922 -10.987 1.00 2.52 H new ATOM 0 HB3 LYS A 51 -5.700 -5.048 -9.769 1.00 2.52 H new ATOM 0 HG2 LYS A 51 -7.172 -6.858 -9.356 1.00 3.20 H new ATOM 0 HG3 LYS A 51 -6.957 -7.537 -10.957 1.00 3.20 H new ATOM 0 HD2 LYS A 51 -4.896 -7.590 -8.692 1.00 2.71 H new ATOM 0 HD3 LYS A 51 -5.820 -8.960 -9.276 1.00 2.71 H new ATOM 0 HE2 LYS A 51 -3.609 -7.435 -10.707 1.00 2.50 H new ATOM 0 HE3 LYS A 51 -3.700 -9.154 -10.378 1.00 2.50 H new ATOM 0 HZ1 LYS A 51 -4.226 -8.876 -12.649 1.00 3.39 H new ATOM 0 HZ2 LYS A 51 -5.710 -9.186 -11.884 1.00 3.39 H new ATOM 0 HZ3 LYS A 51 -5.305 -7.601 -12.342 1.00 3.39 H new ATOM 821 N ALA A 52 -5.753 -3.029 -12.421 1.00 1.43 N ATOM 822 CA ALA A 52 -5.642 -1.542 -12.441 1.00 1.34 C ATOM 823 C ALA A 52 -6.846 -0.950 -13.165 1.00 1.51 C ATOM 824 O ALA A 52 -7.427 0.017 -12.705 1.00 1.69 O ATOM 825 CB ALA A 52 -4.364 -1.133 -13.175 1.00 1.62 C ATOM 0 H ALA A 52 -5.119 -3.521 -13.051 1.00 1.43 H new ATOM 0 HA ALA A 52 -5.611 -1.171 -11.417 1.00 1.34 H new ATOM 0 HB1 ALA A 52 -4.284 -0.046 -13.189 1.00 1.62 H new ATOM 0 HB2 ALA A 52 -3.499 -1.554 -12.662 1.00 1.62 H new ATOM 0 HB3 ALA A 52 -4.396 -1.507 -14.198 1.00 1.62 H new ATOM 831 N GLY A 53 -7.170 -1.537 -14.292 1.00 1.87 N ATOM 832 CA GLY A 53 -8.335 -1.043 -15.094 1.00 2.22 C ATOM 833 C GLY A 53 -7.822 -0.391 -16.373 1.00 2.77 C ATOM 834 O GLY A 53 -8.200 -0.755 -17.470 1.00 3.61 O ATOM 0 H GLY A 53 -6.679 -2.337 -14.691 1.00 1.87 H new ATOM 0 HA2 GLY A 53 -9.002 -1.870 -15.336 1.00 2.22 H new ATOM 0 HA3 GLY A 53 -8.914 -0.325 -14.513 1.00 2.22 H new ATOM 838 N LYS A 54 -6.914 0.524 -16.187 1.00 2.77 N ATOM 839 CA LYS A 54 -6.317 1.262 -17.337 1.00 3.51 C ATOM 840 C LYS A 54 -5.010 0.557 -17.727 1.00 3.63 C ATOM 841 O LYS A 54 -4.481 -0.219 -16.951 1.00 3.95 O ATOM 842 CB LYS A 54 -6.043 2.695 -16.844 1.00 3.98 C ATOM 843 CG LYS A 54 -5.594 3.608 -17.994 1.00 5.39 C ATOM 844 CD LYS A 54 -5.519 5.064 -17.493 1.00 5.88 C ATOM 845 CE LYS A 54 -4.065 5.549 -17.345 1.00 6.46 C ATOM 846 NZ LYS A 54 -3.236 4.563 -16.591 1.00 6.52 N ATOM 0 H LYS A 54 -6.554 0.797 -15.273 1.00 2.77 H new ATOM 0 HA LYS A 54 -6.971 1.287 -18.208 1.00 3.51 H new ATOM 0 HB2 LYS A 54 -6.944 3.102 -16.385 1.00 3.98 H new ATOM 0 HB3 LYS A 54 -5.274 2.675 -16.072 1.00 3.98 H new ATOM 0 HG2 LYS A 54 -4.621 3.290 -18.367 1.00 5.39 H new ATOM 0 HG3 LYS A 54 -6.294 3.534 -18.826 1.00 5.39 H new ATOM 0 HD2 LYS A 54 -6.049 5.715 -18.189 1.00 5.88 H new ATOM 0 HD3 LYS A 54 -6.027 5.143 -16.532 1.00 5.88 H new ATOM 0 HE2 LYS A 54 -3.632 5.711 -18.332 1.00 6.46 H new ATOM 0 HE3 LYS A 54 -4.051 6.509 -16.829 1.00 6.46 H new ATOM 0 HZ1 LYS A 54 -2.365 5.024 -16.259 1.00 6.52 H new ATOM 0 HZ2 LYS A 54 -3.774 4.210 -15.774 1.00 6.52 H new ATOM 0 HZ3 LYS A 54 -2.990 3.767 -17.214 1.00 6.52 H new ATOM 860 N PRO A 55 -4.508 0.809 -18.929 1.00 4.05 N ATOM 861 CA PRO A 55 -3.050 0.825 -19.170 1.00 3.86 C ATOM 862 C PRO A 55 -2.336 1.276 -17.895 1.00 3.24 C ATOM 863 O PRO A 55 -2.586 2.371 -17.404 1.00 3.28 O ATOM 864 CB PRO A 55 -2.902 1.797 -20.341 1.00 4.58 C ATOM 865 CG PRO A 55 -4.232 1.689 -21.127 1.00 5.56 C ATOM 866 CD PRO A 55 -5.297 1.152 -20.141 1.00 5.18 C ATOM 0 HA PRO A 55 -2.606 -0.141 -19.412 1.00 3.86 H new ATOM 0 HB2 PRO A 55 -2.734 2.815 -19.989 1.00 4.58 H new ATOM 0 HB3 PRO A 55 -2.051 1.532 -20.968 1.00 4.58 H new ATOM 0 HG2 PRO A 55 -4.527 2.661 -21.522 1.00 5.56 H new ATOM 0 HG3 PRO A 55 -4.123 1.019 -21.980 1.00 5.56 H new ATOM 0 HD2 PRO A 55 -6.058 1.902 -19.925 1.00 5.18 H new ATOM 0 HD3 PRO A 55 -5.813 0.280 -20.544 1.00 5.18 H new ATOM 874 N VAL A 56 -1.470 0.433 -17.394 1.00 3.81 N ATOM 875 CA VAL A 56 -0.765 0.769 -16.132 1.00 4.07 C ATOM 876 C VAL A 56 0.763 0.636 -16.277 1.00 3.82 C ATOM 877 O VAL A 56 1.446 0.091 -15.420 1.00 4.70 O ATOM 878 CB VAL A 56 -1.352 -0.154 -15.036 1.00 6.23 C ATOM 879 CG1 VAL A 56 -0.909 -1.620 -15.235 1.00 7.77 C ATOM 880 CG2 VAL A 56 -0.946 0.361 -13.646 1.00 6.87 C ATOM 0 H VAL A 56 -1.225 -0.468 -17.805 1.00 3.81 H new ATOM 0 HA VAL A 56 -0.923 1.813 -15.860 1.00 4.07 H new ATOM 0 HB VAL A 56 -2.439 -0.133 -15.115 1.00 6.23 H new ATOM 0 HG11 VAL A 56 -1.339 -2.240 -14.448 1.00 7.77 H new ATOM 0 HG12 VAL A 56 -1.253 -1.975 -16.206 1.00 7.77 H new ATOM 0 HG13 VAL A 56 0.178 -1.681 -15.191 1.00 7.77 H new ATOM 0 HG21 VAL A 56 -1.362 -0.293 -12.880 1.00 6.87 H new ATOM 0 HG22 VAL A 56 0.141 0.370 -13.564 1.00 6.87 H new ATOM 0 HG23 VAL A 56 -1.328 1.372 -13.507 1.00 6.87 H new ATOM 890 N GLU A 57 1.276 1.200 -17.339 1.00 3.48 N ATOM 891 CA GLU A 57 2.756 1.162 -17.566 1.00 4.13 C ATOM 892 C GLU A 57 3.403 2.301 -16.775 1.00 3.00 C ATOM 893 O GLU A 57 4.102 3.152 -17.292 1.00 3.43 O ATOM 894 CB GLU A 57 3.089 1.286 -19.067 1.00 5.92 C ATOM 895 CG GLU A 57 1.896 0.867 -19.945 1.00 6.76 C ATOM 896 CD GLU A 57 1.659 -0.636 -19.763 1.00 7.75 C ATOM 897 OE1 GLU A 57 2.641 -1.355 -19.862 1.00 8.49 O ATOM 898 OE2 GLU A 57 0.511 -1.001 -19.538 1.00 8.19 O ATOM 0 H GLU A 57 0.739 1.684 -18.058 1.00 3.48 H new ATOM 0 HA GLU A 57 3.149 0.205 -17.223 1.00 4.13 H new ATOM 0 HB2 GLU A 57 3.367 2.315 -19.296 1.00 5.92 H new ATOM 0 HB3 GLU A 57 3.952 0.663 -19.302 1.00 5.92 H new ATOM 0 HG2 GLU A 57 1.004 1.427 -19.664 1.00 6.76 H new ATOM 0 HG3 GLU A 57 2.098 1.094 -20.992 1.00 6.76 H new ATOM 905 N THR A 58 3.082 2.305 -15.518 1.00 2.75 N ATOM 906 CA THR A 58 3.612 3.317 -14.578 1.00 2.79 C ATOM 907 C THR A 58 3.730 2.606 -13.235 1.00 2.37 C ATOM 908 O THR A 58 2.738 2.412 -12.560 1.00 2.43 O ATOM 909 CB THR A 58 2.637 4.497 -14.492 1.00 4.11 C ATOM 910 OG1 THR A 58 2.401 4.892 -15.842 1.00 5.21 O ATOM 911 CG2 THR A 58 3.293 5.716 -13.835 1.00 4.91 C ATOM 0 H THR A 58 2.453 1.625 -15.091 1.00 2.75 H new ATOM 0 HA THR A 58 4.575 3.717 -14.895 1.00 2.79 H new ATOM 0 HB THR A 58 1.753 4.199 -13.928 1.00 4.11 H new ATOM 0 HG1 THR A 58 1.778 5.649 -15.857 1.00 5.21 H new ATOM 0 HG21 THR A 58 2.575 6.535 -13.789 1.00 4.91 H new ATOM 0 HG22 THR A 58 3.613 5.457 -12.826 1.00 4.91 H new ATOM 0 HG23 THR A 58 4.158 6.024 -14.422 1.00 4.91 H new ATOM 919 N VAL A 59 4.923 2.178 -12.921 1.00 2.30 N ATOM 920 CA VAL A 59 5.153 1.447 -11.634 1.00 2.00 C ATOM 921 C VAL A 59 6.051 2.322 -10.733 1.00 2.05 C ATOM 922 O VAL A 59 6.904 3.033 -11.234 1.00 2.60 O ATOM 923 CB VAL A 59 5.820 0.091 -12.004 1.00 2.50 C ATOM 924 CG1 VAL A 59 7.261 0.006 -11.483 1.00 2.63 C ATOM 925 CG2 VAL A 59 4.998 -1.091 -11.461 1.00 3.15 C ATOM 0 H VAL A 59 5.753 2.302 -13.500 1.00 2.30 H new ATOM 0 HA VAL A 59 4.233 1.250 -11.083 1.00 2.00 H new ATOM 0 HB VAL A 59 5.848 0.035 -13.092 1.00 2.50 H new ATOM 0 HG11 VAL A 59 7.692 -0.955 -11.761 1.00 2.63 H new ATOM 0 HG12 VAL A 59 7.854 0.810 -11.920 1.00 2.63 H new ATOM 0 HG13 VAL A 59 7.262 0.103 -10.397 1.00 2.63 H new ATOM 0 HG21 VAL A 59 5.485 -2.028 -11.733 1.00 3.15 H new ATOM 0 HG22 VAL A 59 4.930 -1.019 -10.376 1.00 3.15 H new ATOM 0 HG23 VAL A 59 3.996 -1.065 -11.890 1.00 3.15 H new ATOM 935 N PRO A 60 5.871 2.248 -9.423 1.00 1.80 N ATOM 936 CA PRO A 60 5.228 1.119 -8.706 1.00 1.47 C ATOM 937 C PRO A 60 3.699 1.256 -8.698 1.00 1.26 C ATOM 938 O PRO A 60 3.174 2.259 -9.117 1.00 1.44 O ATOM 939 CB PRO A 60 5.793 1.213 -7.280 1.00 1.67 C ATOM 940 CG PRO A 60 6.459 2.609 -7.145 1.00 2.12 C ATOM 941 CD PRO A 60 6.366 3.301 -8.515 1.00 2.10 C ATOM 0 HA PRO A 60 5.433 0.159 -9.180 1.00 1.47 H new ATOM 0 HB2 PRO A 60 5.000 1.092 -6.542 1.00 1.67 H new ATOM 0 HB3 PRO A 60 6.519 0.420 -7.100 1.00 1.67 H new ATOM 0 HG2 PRO A 60 5.955 3.202 -6.381 1.00 2.12 H new ATOM 0 HG3 PRO A 60 7.499 2.509 -6.836 1.00 2.12 H new ATOM 0 HD2 PRO A 60 5.686 4.152 -8.485 1.00 2.10 H new ATOM 0 HD3 PRO A 60 7.336 3.679 -8.836 1.00 2.10 H new ATOM 949 N GLN A 61 3.017 0.258 -8.192 1.00 0.96 N ATOM 950 CA GLN A 61 1.513 0.329 -8.161 1.00 0.82 C ATOM 951 C GLN A 61 0.992 0.125 -6.729 1.00 0.85 C ATOM 952 O GLN A 61 1.589 -0.632 -5.967 1.00 0.96 O ATOM 953 CB GLN A 61 0.937 -0.776 -9.062 1.00 0.80 C ATOM 954 CG GLN A 61 1.282 -0.517 -10.537 1.00 1.12 C ATOM 955 CD GLN A 61 0.734 -1.667 -11.397 1.00 2.38 C ATOM 956 OE1 GLN A 61 0.134 -2.604 -10.906 1.00 3.32 O ATOM 957 NE2 GLN A 61 0.913 -1.638 -12.684 1.00 3.57 N ATOM 0 H GLN A 61 3.424 -0.593 -7.803 1.00 0.96 H new ATOM 0 HA GLN A 61 1.201 1.311 -8.516 1.00 0.82 H new ATOM 0 HB2 GLN A 61 1.334 -1.744 -8.756 1.00 0.80 H new ATOM 0 HB3 GLN A 61 -0.145 -0.823 -8.940 1.00 0.80 H new ATOM 0 HG2 GLN A 61 0.853 0.431 -10.861 1.00 1.12 H new ATOM 0 HG3 GLN A 61 2.362 -0.438 -10.661 1.00 1.12 H new ATOM 0 HE21 GLN A 61 1.414 -0.859 -13.112 1.00 3.57 H new ATOM 0 HE22 GLN A 61 0.552 -2.394 -13.266 1.00 3.57 H new ATOM 966 N ILE A 62 -0.101 0.781 -6.407 1.00 0.90 N ATOM 967 CA ILE A 62 -0.694 0.638 -5.042 1.00 1.01 C ATOM 968 C ILE A 62 -2.122 0.088 -5.175 1.00 0.92 C ATOM 969 O ILE A 62 -2.888 0.536 -6.027 1.00 0.90 O ATOM 970 CB ILE A 62 -0.756 2.014 -4.350 1.00 1.28 C ATOM 971 CG1 ILE A 62 0.574 2.774 -4.522 1.00 1.74 C ATOM 972 CG2 ILE A 62 -1.054 1.812 -2.856 1.00 1.43 C ATOM 973 CD1 ILE A 62 1.714 2.083 -3.764 1.00 1.11 C ATOM 0 H ILE A 62 -0.606 1.409 -7.033 1.00 0.90 H new ATOM 0 HA ILE A 62 -0.078 -0.039 -4.450 1.00 1.01 H new ATOM 0 HB ILE A 62 -1.547 2.607 -4.809 1.00 1.28 H new ATOM 0 HG12 ILE A 62 0.825 2.837 -5.581 1.00 1.74 H new ATOM 0 HG13 ILE A 62 0.461 3.796 -4.160 1.00 1.74 H new ATOM 0 HG21 ILE A 62 -1.099 2.781 -2.360 1.00 1.43 H new ATOM 0 HG22 ILE A 62 -2.010 1.301 -2.742 1.00 1.43 H new ATOM 0 HG23 ILE A 62 -0.264 1.210 -2.406 1.00 1.43 H new ATOM 0 HD11 ILE A 62 2.638 2.644 -3.906 1.00 1.11 H new ATOM 0 HD12 ILE A 62 1.473 2.043 -2.702 1.00 1.11 H new ATOM 0 HD13 ILE A 62 1.843 1.070 -4.145 1.00 1.11 H new ATOM 985 N PHE A 63 -2.437 -0.878 -4.347 1.00 0.91 N ATOM 986 CA PHE A 63 -3.801 -1.486 -4.369 1.00 0.91 C ATOM 987 C PHE A 63 -4.331 -1.705 -2.951 1.00 0.78 C ATOM 988 O PHE A 63 -3.616 -2.227 -2.111 1.00 0.80 O ATOM 989 CB PHE A 63 -3.723 -2.853 -5.050 1.00 1.08 C ATOM 990 CG PHE A 63 -3.867 -2.696 -6.566 1.00 1.13 C ATOM 991 CD1 PHE A 63 -2.846 -2.181 -7.345 1.00 1.50 C ATOM 992 CD2 PHE A 63 -5.053 -3.052 -7.167 1.00 1.00 C ATOM 993 CE1 PHE A 63 -3.018 -2.025 -8.704 1.00 1.69 C ATOM 994 CE2 PHE A 63 -5.226 -2.895 -8.518 1.00 1.19 C ATOM 995 CZ PHE A 63 -4.211 -2.383 -9.291 1.00 1.51 C ATOM 0 H PHE A 63 -1.802 -1.273 -3.653 1.00 0.91 H new ATOM 0 HA PHE A 63 -4.466 -0.808 -4.903 1.00 0.91 H new ATOM 0 HB2 PHE A 63 -2.772 -3.331 -4.815 1.00 1.08 H new ATOM 0 HB3 PHE A 63 -4.510 -3.503 -4.668 1.00 1.08 H new ATOM 0 HD1 PHE A 63 -1.910 -1.900 -6.886 1.00 1.50 H new ATOM 0 HD2 PHE A 63 -5.855 -3.459 -6.569 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -2.218 -1.622 -9.307 1.00 1.69 H new ATOM 0 HE2 PHE A 63 -6.163 -3.175 -8.977 1.00 1.19 H new ATOM 0 HZ PHE A 63 -4.349 -2.262 -10.355 1.00 1.51 H new ATOM 1005 N VAL A 64 -5.555 -1.322 -2.695 1.00 0.69 N ATOM 1006 CA VAL A 64 -6.108 -1.582 -1.327 1.00 0.70 C ATOM 1007 C VAL A 64 -6.981 -2.827 -1.449 1.00 1.06 C ATOM 1008 O VAL A 64 -7.891 -2.861 -2.252 1.00 1.30 O ATOM 1009 CB VAL A 64 -6.945 -0.398 -0.825 1.00 0.73 C ATOM 1010 CG1 VAL A 64 -7.536 -0.739 0.548 1.00 0.89 C ATOM 1011 CG2 VAL A 64 -6.031 0.811 -0.655 1.00 0.85 C ATOM 0 H VAL A 64 -6.182 -0.854 -3.350 1.00 0.69 H new ATOM 0 HA VAL A 64 -5.300 -1.721 -0.609 1.00 0.70 H new ATOM 0 HB VAL A 64 -7.742 -0.187 -1.538 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -8.131 0.101 0.907 1.00 0.89 H new ATOM 0 HG12 VAL A 64 -8.169 -1.622 0.462 1.00 0.89 H new ATOM 0 HG13 VAL A 64 -6.728 -0.938 1.252 1.00 0.89 H new ATOM 0 HG21 VAL A 64 -6.614 1.660 -0.298 1.00 0.85 H new ATOM 0 HG22 VAL A 64 -5.250 0.578 0.068 1.00 0.85 H new ATOM 0 HG23 VAL A 64 -5.575 1.060 -1.613 1.00 0.85 H new ATOM 1021 N ASP A 65 -6.659 -3.827 -0.674 1.00 1.35 N ATOM 1022 CA ASP A 65 -7.412 -5.114 -0.704 1.00 1.83 C ATOM 1023 C ASP A 65 -7.516 -5.671 -2.122 1.00 2.08 C ATOM 1024 O ASP A 65 -6.732 -6.517 -2.513 1.00 2.82 O ATOM 1025 CB ASP A 65 -8.808 -4.913 -0.097 1.00 2.04 C ATOM 1026 CG ASP A 65 -8.677 -4.951 1.428 1.00 2.10 C ATOM 1027 OD1 ASP A 65 -8.207 -3.960 1.963 1.00 2.59 O ATOM 1028 OD2 ASP A 65 -8.993 -5.997 1.965 1.00 2.97 O ATOM 0 H ASP A 65 -5.888 -3.805 -0.006 1.00 1.35 H new ATOM 0 HA ASP A 65 -6.864 -5.844 -0.108 1.00 1.83 H new ATOM 0 HB2 ASP A 65 -9.229 -3.960 -0.419 1.00 2.04 H new ATOM 0 HB3 ASP A 65 -9.487 -5.693 -0.440 1.00 2.04 H new ATOM 1033 N GLN A 66 -8.478 -5.194 -2.859 1.00 1.79 N ATOM 1034 CA GLN A 66 -8.651 -5.688 -4.251 1.00 2.05 C ATOM 1035 C GLN A 66 -8.974 -4.554 -5.234 1.00 1.56 C ATOM 1036 O GLN A 66 -9.296 -4.827 -6.372 1.00 1.72 O ATOM 1037 CB GLN A 66 -9.781 -6.731 -4.264 1.00 2.61 C ATOM 1038 CG GLN A 66 -9.383 -7.921 -3.374 1.00 3.72 C ATOM 1039 CD GLN A 66 -10.475 -8.989 -3.414 1.00 4.33 C ATOM 1040 OE1 GLN A 66 -10.831 -9.482 -4.457 1.00 5.03 O ATOM 1041 NE2 GLN A 66 -11.028 -9.383 -2.303 1.00 4.73 N ATOM 0 H GLN A 66 -9.149 -4.487 -2.559 1.00 1.79 H new ATOM 0 HA GLN A 66 -7.711 -6.133 -4.577 1.00 2.05 H new ATOM 0 HB2 GLN A 66 -10.708 -6.285 -3.902 1.00 2.61 H new ATOM 0 HB3 GLN A 66 -9.967 -7.070 -5.283 1.00 2.61 H new ATOM 0 HG2 GLN A 66 -8.438 -8.342 -3.716 1.00 3.72 H new ATOM 0 HG3 GLN A 66 -9.229 -7.584 -2.349 1.00 3.72 H new ATOM 0 HE21 GLN A 66 -10.736 -8.974 -1.415 1.00 4.73 H new ATOM 0 HE22 GLN A 66 -11.753 -10.100 -2.321 1.00 4.73 H new ATOM 1050 N GLN A 67 -8.860 -3.323 -4.806 1.00 1.24 N ATOM 1051 CA GLN A 67 -9.161 -2.182 -5.706 1.00 0.99 C ATOM 1052 C GLN A 67 -7.867 -1.460 -6.092 1.00 0.94 C ATOM 1053 O GLN A 67 -6.918 -1.442 -5.323 1.00 0.99 O ATOM 1054 CB GLN A 67 -10.081 -1.201 -4.961 1.00 1.09 C ATOM 1055 CG GLN A 67 -9.536 -0.929 -3.546 1.00 2.16 C ATOM 1056 CD GLN A 67 -10.192 0.312 -2.929 1.00 3.23 C ATOM 1057 OE1 GLN A 67 -10.152 1.398 -3.474 1.00 4.07 O ATOM 1058 NE2 GLN A 67 -10.785 0.200 -1.780 1.00 4.24 N ATOM 0 H GLN A 67 -8.569 -3.063 -3.864 1.00 1.24 H new ATOM 0 HA GLN A 67 -9.646 -2.549 -6.611 1.00 0.99 H new ATOM 0 HB2 GLN A 67 -10.153 -0.266 -5.516 1.00 1.09 H new ATOM 0 HB3 GLN A 67 -11.088 -1.613 -4.898 1.00 1.09 H new ATOM 0 HG2 GLN A 67 -9.720 -1.795 -2.910 1.00 2.16 H new ATOM 0 HG3 GLN A 67 -8.456 -0.789 -3.590 1.00 2.16 H new ATOM 0 HE21 GLN A 67 -10.825 -0.706 -1.313 1.00 4.24 H new ATOM 0 HE22 GLN A 67 -11.211 1.018 -1.344 1.00 4.24 H new ATOM 1067 N HIS A 68 -7.878 -0.840 -7.241 1.00 1.00 N ATOM 1068 CA HIS A 68 -6.662 -0.101 -7.690 1.00 1.04 C ATOM 1069 C HIS A 68 -6.716 1.290 -7.075 1.00 0.85 C ATOM 1070 O HIS A 68 -7.792 1.833 -6.943 1.00 0.81 O ATOM 1071 CB HIS A 68 -6.680 0.028 -9.214 1.00 1.24 C ATOM 1072 CG HIS A 68 -5.499 0.833 -9.753 1.00 1.32 C ATOM 1073 ND1 HIS A 68 -5.600 1.547 -10.842 1.00 1.43 N ATOM 1074 CD2 HIS A 68 -4.236 1.038 -9.260 1.00 1.48 C ATOM 1075 CE1 HIS A 68 -4.466 2.197 -11.016 1.00 1.55 C ATOM 1076 NE2 HIS A 68 -3.642 1.876 -10.052 1.00 1.57 N ATOM 0 H HIS A 68 -8.669 -0.813 -7.884 1.00 1.00 H new ATOM 0 HA HIS A 68 -5.758 -0.628 -7.385 1.00 1.04 H new ATOM 0 HB2 HIS A 68 -6.669 -0.967 -9.659 1.00 1.24 H new ATOM 0 HB3 HIS A 68 -7.610 0.505 -9.523 1.00 1.24 H new ATOM 0 HD1 HIS A 68 -6.416 1.594 -11.453 1.00 1.43 H new ATOM 0 HD2 HIS A 68 -3.814 0.585 -8.375 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -4.252 2.883 -11.823 1.00 1.55 H new ATOM 1084 N ILE A 69 -5.581 1.839 -6.722 1.00 0.90 N ATOM 1085 CA ILE A 69 -5.589 3.201 -6.102 1.00 0.83 C ATOM 1086 C ILE A 69 -4.916 4.223 -7.021 1.00 1.05 C ATOM 1087 O ILE A 69 -5.314 5.376 -7.068 1.00 1.20 O ATOM 1088 CB ILE A 69 -4.838 3.133 -4.763 1.00 0.92 C ATOM 1089 CG1 ILE A 69 -5.238 1.869 -3.982 1.00 1.10 C ATOM 1090 CG2 ILE A 69 -5.176 4.366 -3.925 1.00 0.82 C ATOM 1091 CD1 ILE A 69 -6.747 1.861 -3.661 1.00 1.04 C ATOM 0 H ILE A 69 -4.662 1.412 -6.833 1.00 0.90 H new ATOM 0 HA ILE A 69 -6.620 3.517 -5.944 1.00 0.83 H new ATOM 0 HB ILE A 69 -3.768 3.101 -4.967 1.00 0.92 H new ATOM 0 HG12 ILE A 69 -4.983 0.984 -4.564 1.00 1.10 H new ATOM 0 HG13 ILE A 69 -4.667 1.816 -3.055 1.00 1.10 H new ATOM 0 HG21 ILE A 69 -4.643 4.318 -2.975 1.00 0.82 H new ATOM 0 HG22 ILE A 69 -4.877 5.265 -4.464 1.00 0.82 H new ATOM 0 HG23 ILE A 69 -6.249 4.396 -3.738 1.00 0.82 H new ATOM 0 HD11 ILE A 69 -6.997 0.955 -3.109 1.00 1.04 H new ATOM 0 HD12 ILE A 69 -6.995 2.734 -3.057 1.00 1.04 H new ATOM 0 HD13 ILE A 69 -7.317 1.889 -4.590 1.00 1.04 H new ATOM 1103 N GLY A 70 -3.914 3.778 -7.735 1.00 1.28 N ATOM 1104 CA GLY A 70 -3.191 4.698 -8.659 1.00 1.60 C ATOM 1105 C GLY A 70 -1.680 4.495 -8.536 1.00 1.30 C ATOM 1106 O GLY A 70 -1.209 3.365 -8.578 1.00 1.77 O ATOM 0 H GLY A 70 -3.567 2.819 -7.717 1.00 1.28 H new ATOM 0 HA2 GLY A 70 -3.507 4.515 -9.686 1.00 1.60 H new ATOM 0 HA3 GLY A 70 -3.446 5.732 -8.427 1.00 1.60 H new ATOM 1110 N GLY A 71 -0.952 5.571 -8.342 1.00 1.52 N ATOM 1111 CA GLY A 71 0.538 5.456 -8.246 1.00 1.43 C ATOM 1112 C GLY A 71 1.038 5.641 -6.811 1.00 1.27 C ATOM 1113 O GLY A 71 1.708 4.781 -6.288 1.00 2.32 O ATOM 0 H GLY A 71 -1.323 6.516 -8.247 1.00 1.52 H new ATOM 0 HA2 GLY A 71 0.850 4.479 -8.615 1.00 1.43 H new ATOM 0 HA3 GLY A 71 1.001 6.203 -8.890 1.00 1.43 H new ATOM 1117 N TYR A 72 0.769 6.760 -6.213 1.00 1.62 N ATOM 1118 CA TYR A 72 1.243 6.963 -4.808 1.00 1.31 C ATOM 1119 C TYR A 72 0.486 8.130 -4.189 1.00 1.14 C ATOM 1120 O TYR A 72 -0.159 7.982 -3.173 1.00 1.24 O ATOM 1121 CB TYR A 72 2.763 7.232 -4.783 1.00 1.39 C ATOM 1122 CG TYR A 72 3.195 7.552 -3.341 1.00 1.20 C ATOM 1123 CD1 TYR A 72 3.021 8.825 -2.835 1.00 1.83 C ATOM 1124 CD2 TYR A 72 3.669 6.559 -2.495 1.00 1.09 C ATOM 1125 CE1 TYR A 72 3.293 9.101 -1.514 1.00 1.86 C ATOM 1126 CE2 TYR A 72 3.940 6.843 -1.169 1.00 1.11 C ATOM 1127 CZ TYR A 72 3.748 8.113 -0.671 1.00 1.26 C ATOM 1128 OH TYR A 72 3.977 8.384 0.662 1.00 1.48 O ATOM 0 H TYR A 72 0.250 7.537 -6.621 1.00 1.62 H new ATOM 0 HA TYR A 72 1.051 6.060 -4.229 1.00 1.31 H new ATOM 0 HB2 TYR A 72 3.305 6.362 -5.153 1.00 1.39 H new ATOM 0 HB3 TYR A 72 3.008 8.065 -5.442 1.00 1.39 H new ATOM 0 HD1 TYR A 72 2.667 9.613 -3.483 1.00 1.83 H new ATOM 0 HD2 TYR A 72 3.827 5.560 -2.874 1.00 1.09 H new ATOM 0 HE1 TYR A 72 3.148 10.102 -1.136 1.00 1.86 H new ATOM 0 HE2 TYR A 72 4.305 6.062 -0.518 1.00 1.11 H new ATOM 0 HH TYR A 72 3.532 7.708 1.214 1.00 1.48 H new ATOM 1138 N THR A 73 0.634 9.282 -4.796 1.00 1.21 N ATOM 1139 CA THR A 73 -0.075 10.503 -4.301 1.00 1.26 C ATOM 1140 C THR A 73 -1.501 10.098 -3.916 1.00 1.20 C ATOM 1141 O THR A 73 -2.011 10.427 -2.861 1.00 1.35 O ATOM 1142 CB THR A 73 -0.078 11.524 -5.449 1.00 1.59 C ATOM 1143 OG1 THR A 73 -0.307 10.730 -6.612 1.00 1.84 O ATOM 1144 CG2 THR A 73 1.315 12.137 -5.667 1.00 1.60 C ATOM 0 H THR A 73 1.219 9.430 -5.618 1.00 1.21 H new ATOM 0 HA THR A 73 0.409 10.942 -3.429 1.00 1.26 H new ATOM 0 HB THR A 73 -0.798 12.317 -5.247 1.00 1.59 H new ATOM 0 HG1 THR A 73 -0.327 11.307 -7.404 1.00 1.84 H new ATOM 0 HG21 THR A 73 1.273 12.854 -6.487 1.00 1.60 H new ATOM 0 HG22 THR A 73 1.636 12.645 -4.757 1.00 1.60 H new ATOM 0 HG23 THR A 73 2.026 11.348 -5.912 1.00 1.60 H new ATOM 1152 N ASP A 74 -2.084 9.389 -4.829 1.00 1.16 N ATOM 1153 CA ASP A 74 -3.457 8.855 -4.651 1.00 1.06 C ATOM 1154 C ASP A 74 -3.573 8.124 -3.318 1.00 0.94 C ATOM 1155 O ASP A 74 -4.227 8.599 -2.430 1.00 1.01 O ATOM 1156 CB ASP A 74 -3.755 7.877 -5.796 1.00 1.08 C ATOM 1157 CG ASP A 74 -2.472 7.145 -6.212 1.00 1.66 C ATOM 1158 OD1 ASP A 74 -1.698 7.783 -6.913 1.00 2.40 O ATOM 1159 OD2 ASP A 74 -2.314 6.006 -5.799 1.00 2.96 O ATOM 0 H ASP A 74 -1.653 9.148 -5.722 1.00 1.16 H new ATOM 0 HA ASP A 74 -4.170 9.679 -4.660 1.00 1.06 H new ATOM 0 HB2 ASP A 74 -4.509 7.155 -5.481 1.00 1.08 H new ATOM 0 HB3 ASP A 74 -4.167 8.417 -6.648 1.00 1.08 H new ATOM 1164 N PHE A 75 -2.916 7.002 -3.200 1.00 0.86 N ATOM 1165 CA PHE A 75 -2.999 6.236 -1.917 1.00 0.80 C ATOM 1166 C PHE A 75 -2.656 7.137 -0.722 1.00 0.72 C ATOM 1167 O PHE A 75 -3.274 7.038 0.308 1.00 0.78 O ATOM 1168 CB PHE A 75 -2.047 5.037 -1.969 1.00 0.81 C ATOM 1169 CG PHE A 75 -2.217 4.190 -0.694 1.00 0.78 C ATOM 1170 CD1 PHE A 75 -3.361 3.447 -0.469 1.00 0.77 C ATOM 1171 CD2 PHE A 75 -1.223 4.184 0.259 1.00 0.98 C ATOM 1172 CE1 PHE A 75 -3.496 2.714 0.691 1.00 0.80 C ATOM 1173 CE2 PHE A 75 -1.358 3.455 1.418 1.00 1.04 C ATOM 1174 CZ PHE A 75 -2.496 2.718 1.634 1.00 0.89 C ATOM 0 H PHE A 75 -2.332 6.584 -3.924 1.00 0.86 H new ATOM 0 HA PHE A 75 -4.020 5.878 -1.789 1.00 0.80 H new ATOM 0 HB2 PHE A 75 -2.256 4.432 -2.851 1.00 0.81 H new ATOM 0 HB3 PHE A 75 -1.016 5.381 -2.055 1.00 0.81 H new ATOM 0 HD1 PHE A 75 -4.152 3.441 -1.205 1.00 0.77 H new ATOM 0 HD2 PHE A 75 -0.324 4.760 0.094 1.00 0.98 H new ATOM 0 HE1 PHE A 75 -4.391 2.134 0.859 1.00 0.80 H new ATOM 0 HE2 PHE A 75 -0.570 3.463 2.157 1.00 1.04 H new ATOM 0 HZ PHE A 75 -2.605 2.143 2.542 1.00 0.89 H new ATOM 1184 N ALA A 76 -1.683 7.995 -0.886 1.00 0.75 N ATOM 1185 CA ALA A 76 -1.284 8.916 0.229 1.00 0.77 C ATOM 1186 C ALA A 76 -2.470 9.775 0.690 1.00 0.90 C ATOM 1187 O ALA A 76 -2.841 9.752 1.844 1.00 0.94 O ATOM 1188 CB ALA A 76 -0.150 9.825 -0.253 1.00 0.84 C ATOM 0 H ALA A 76 -1.144 8.101 -1.745 1.00 0.75 H new ATOM 0 HA ALA A 76 -0.952 8.314 1.075 1.00 0.77 H new ATOM 0 HB1 ALA A 76 0.145 10.497 0.553 1.00 0.84 H new ATOM 0 HB2 ALA A 76 0.704 9.216 -0.548 1.00 0.84 H new ATOM 0 HB3 ALA A 76 -0.491 10.410 -1.107 1.00 0.84 H new ATOM 1194 N ALA A 77 -3.043 10.520 -0.214 1.00 1.06 N ATOM 1195 CA ALA A 77 -4.211 11.378 0.173 1.00 1.28 C ATOM 1196 C ALA A 77 -5.384 10.460 0.479 1.00 1.12 C ATOM 1197 O ALA A 77 -6.033 10.585 1.501 1.00 1.14 O ATOM 1198 CB ALA A 77 -4.563 12.312 -0.989 1.00 1.56 C ATOM 0 H ALA A 77 -2.762 10.576 -1.193 1.00 1.06 H new ATOM 0 HA ALA A 77 -3.973 11.984 1.047 1.00 1.28 H new ATOM 0 HB1 ALA A 77 -5.412 12.936 -0.710 1.00 1.56 H new ATOM 0 HB2 ALA A 77 -3.706 12.946 -1.219 1.00 1.56 H new ATOM 0 HB3 ALA A 77 -4.822 11.719 -1.867 1.00 1.56 H new ATOM 1204 N TRP A 78 -5.613 9.548 -0.425 1.00 1.04 N ATOM 1205 CA TRP A 78 -6.715 8.561 -0.244 1.00 0.93 C ATOM 1206 C TRP A 78 -6.727 8.091 1.216 1.00 0.83 C ATOM 1207 O TRP A 78 -7.764 8.110 1.864 1.00 0.88 O ATOM 1208 CB TRP A 78 -6.473 7.369 -1.176 1.00 0.95 C ATOM 1209 CG TRP A 78 -7.359 6.160 -0.906 1.00 0.93 C ATOM 1210 CD1 TRP A 78 -8.612 5.947 -1.395 1.00 1.07 C ATOM 1211 CD2 TRP A 78 -7.169 5.146 -0.006 1.00 0.91 C ATOM 1212 NE1 TRP A 78 -9.138 4.901 -0.832 1.00 1.08 N ATOM 1213 CE2 TRP A 78 -8.306 4.361 0.033 1.00 1.00 C ATOM 1214 CE3 TRP A 78 -6.078 4.874 0.793 1.00 0.97 C ATOM 1215 CZ2 TRP A 78 -8.387 3.296 0.887 1.00 1.12 C ATOM 1216 CZ3 TRP A 78 -6.173 3.794 1.656 1.00 1.14 C ATOM 1217 CH2 TRP A 78 -7.313 3.010 1.701 1.00 1.20 C ATOM 0 H TRP A 78 -5.080 9.443 -1.288 1.00 1.04 H new ATOM 0 HA TRP A 78 -7.676 9.017 -0.484 1.00 0.93 H new ATOM 0 HB2 TRP A 78 -6.627 7.693 -2.205 1.00 0.95 H new ATOM 0 HB3 TRP A 78 -5.430 7.064 -1.091 1.00 0.95 H new ATOM 0 HD1 TRP A 78 -9.097 6.558 -2.142 1.00 1.07 H new ATOM 0 HE1 TRP A 78 -10.072 4.545 -1.034 1.00 1.08 H new ATOM 0 HE3 TRP A 78 -5.185 5.479 0.748 1.00 0.97 H new ATOM 0 HZ2 TRP A 78 -9.279 2.688 0.923 1.00 1.12 H new ATOM 0 HZ3 TRP A 78 -5.342 3.560 2.305 1.00 1.14 H new ATOM 0 HH2 TRP A 78 -7.361 2.170 2.378 1.00 1.20 H new ATOM 1228 N VAL A 79 -5.568 7.656 1.673 1.00 0.77 N ATOM 1229 CA VAL A 79 -5.432 7.198 3.088 1.00 0.77 C ATOM 1230 C VAL A 79 -6.204 8.175 3.965 1.00 0.99 C ATOM 1231 O VAL A 79 -7.212 7.826 4.519 1.00 1.16 O ATOM 1232 CB VAL A 79 -3.930 7.165 3.472 1.00 0.84 C ATOM 1233 CG1 VAL A 79 -3.743 7.304 4.987 1.00 0.99 C ATOM 1234 CG2 VAL A 79 -3.301 5.826 3.051 1.00 0.84 C ATOM 0 H VAL A 79 -4.713 7.601 1.120 1.00 0.77 H new ATOM 0 HA VAL A 79 -5.834 6.194 3.222 1.00 0.77 H new ATOM 0 HB VAL A 79 -3.449 7.998 2.959 1.00 0.84 H new ATOM 0 HG11 VAL A 79 -2.680 7.277 5.226 1.00 0.99 H new ATOM 0 HG12 VAL A 79 -4.166 8.251 5.320 1.00 0.99 H new ATOM 0 HG13 VAL A 79 -4.249 6.482 5.493 1.00 0.99 H new ATOM 0 HG21 VAL A 79 -2.246 5.817 3.327 1.00 0.84 H new ATOM 0 HG22 VAL A 79 -3.815 5.008 3.555 1.00 0.84 H new ATOM 0 HG23 VAL A 79 -3.395 5.703 1.972 1.00 0.84 H new ATOM 1244 N LYS A 80 -5.742 9.394 4.012 1.00 1.23 N ATOM 1245 CA LYS A 80 -6.426 10.437 4.841 1.00 1.54 C ATOM 1246 C LYS A 80 -7.954 10.438 4.592 1.00 1.68 C ATOM 1247 O LYS A 80 -8.754 10.362 5.519 1.00 2.31 O ATOM 1248 CB LYS A 80 -5.804 11.797 4.461 1.00 1.72 C ATOM 1249 CG LYS A 80 -5.802 12.786 5.653 1.00 2.04 C ATOM 1250 CD LYS A 80 -7.207 13.035 6.247 1.00 3.03 C ATOM 1251 CE LYS A 80 -8.097 13.844 5.293 1.00 2.65 C ATOM 1252 NZ LYS A 80 -9.249 13.036 4.809 1.00 3.25 N ATOM 0 H LYS A 80 -4.915 9.718 3.510 1.00 1.23 H new ATOM 0 HA LYS A 80 -6.286 10.232 5.902 1.00 1.54 H new ATOM 0 HB2 LYS A 80 -4.782 11.644 4.115 1.00 1.72 H new ATOM 0 HB3 LYS A 80 -6.361 12.231 3.630 1.00 1.72 H new ATOM 0 HG2 LYS A 80 -5.148 12.399 6.435 1.00 2.04 H new ATOM 0 HG3 LYS A 80 -5.380 13.736 5.326 1.00 2.04 H new ATOM 0 HD2 LYS A 80 -7.683 12.079 6.465 1.00 3.03 H new ATOM 0 HD3 LYS A 80 -7.112 13.567 7.194 1.00 3.03 H new ATOM 0 HE2 LYS A 80 -8.464 14.735 5.803 1.00 2.65 H new ATOM 0 HE3 LYS A 80 -7.506 14.184 4.442 1.00 2.65 H new ATOM 0 HZ1 LYS A 80 -9.182 12.920 3.778 1.00 3.25 H new ATOM 0 HZ2 LYS A 80 -9.233 12.101 5.265 1.00 3.25 H new ATOM 0 HZ3 LYS A 80 -10.138 13.522 5.046 1.00 3.25 H new ATOM 1266 N GLU A 81 -8.345 10.542 3.352 1.00 1.36 N ATOM 1267 CA GLU A 81 -9.814 10.570 3.026 1.00 1.53 C ATOM 1268 C GLU A 81 -10.566 9.288 3.412 1.00 1.52 C ATOM 1269 O GLU A 81 -11.779 9.314 3.489 1.00 1.89 O ATOM 1270 CB GLU A 81 -10.008 10.793 1.515 1.00 1.65 C ATOM 1271 CG GLU A 81 -9.816 12.269 1.121 1.00 2.05 C ATOM 1272 CD GLU A 81 -8.348 12.681 1.228 1.00 2.85 C ATOM 1273 OE1 GLU A 81 -7.989 13.060 2.327 1.00 4.02 O ATOM 1274 OE2 GLU A 81 -7.673 12.572 0.216 1.00 3.27 O ATOM 0 H GLU A 81 -7.720 10.609 2.548 1.00 1.36 H new ATOM 0 HA GLU A 81 -10.229 11.386 3.617 1.00 1.53 H new ATOM 0 HB2 GLU A 81 -9.299 10.175 0.963 1.00 1.65 H new ATOM 0 HB3 GLU A 81 -11.007 10.467 1.226 1.00 1.65 H new ATOM 0 HG2 GLU A 81 -10.167 12.425 0.101 1.00 2.05 H new ATOM 0 HG3 GLU A 81 -10.423 12.903 1.767 1.00 2.05 H new ATOM 1281 N ASN A 82 -9.871 8.206 3.629 1.00 1.36 N ATOM 1282 CA ASN A 82 -10.596 6.937 3.977 1.00 1.44 C ATOM 1283 C ASN A 82 -10.380 6.492 5.423 1.00 1.41 C ATOM 1284 O ASN A 82 -11.251 5.893 6.014 1.00 1.53 O ATOM 1285 CB ASN A 82 -10.116 5.806 3.054 1.00 1.52 C ATOM 1286 CG ASN A 82 -10.618 6.025 1.625 1.00 1.41 C ATOM 1287 OD1 ASN A 82 -11.406 5.267 1.106 1.00 1.78 O ATOM 1288 ND2 ASN A 82 -10.175 7.037 0.947 1.00 1.45 N ATOM 0 H ASN A 82 -8.854 8.138 3.584 1.00 1.36 H new ATOM 0 HA ASN A 82 -11.658 7.144 3.848 1.00 1.44 H new ATOM 0 HB2 ASN A 82 -9.027 5.763 3.060 1.00 1.52 H new ATOM 0 HB3 ASN A 82 -10.475 4.847 3.428 1.00 1.52 H new ATOM 0 HD21 ASN A 82 -10.491 7.186 -0.011 1.00 1.45 H new ATOM 0 HD22 ASN A 82 -9.511 7.684 1.372 1.00 1.45 H new ATOM 1295 N LEU A 83 -9.236 6.765 5.963 1.00 1.32 N ATOM 1296 CA LEU A 83 -8.961 6.318 7.359 1.00 1.37 C ATOM 1297 C LEU A 83 -9.316 7.396 8.376 1.00 1.56 C ATOM 1298 O LEU A 83 -9.454 7.086 9.555 1.00 1.74 O ATOM 1299 CB LEU A 83 -7.472 5.969 7.491 1.00 1.28 C ATOM 1300 CG LEU A 83 -7.029 5.035 6.347 1.00 1.14 C ATOM 1301 CD1 LEU A 83 -5.616 4.520 6.627 1.00 1.23 C ATOM 1302 CD2 LEU A 83 -7.966 3.824 6.253 1.00 1.19 C ATOM 0 H LEU A 83 -8.479 7.275 5.508 1.00 1.32 H new ATOM 0 HA LEU A 83 -9.580 5.445 7.564 1.00 1.37 H new ATOM 0 HB2 LEU A 83 -6.876 6.882 7.474 1.00 1.28 H new ATOM 0 HB3 LEU A 83 -7.290 5.488 8.452 1.00 1.28 H new ATOM 0 HG LEU A 83 -7.057 5.597 5.414 1.00 1.14 H new ATOM 0 HD11 LEU A 83 -5.303 3.860 5.818 1.00 1.23 H new ATOM 0 HD12 LEU A 83 -4.928 5.363 6.694 1.00 1.23 H new ATOM 0 HD13 LEU A 83 -5.609 3.970 7.568 1.00 1.23 H new ATOM 0 HD21 LEU A 83 -7.640 3.174 5.441 1.00 1.19 H new ATOM 0 HD22 LEU A 83 -7.942 3.271 7.192 1.00 1.19 H new ATOM 0 HD23 LEU A 83 -8.983 4.165 6.059 1.00 1.19 H new ATOM 1314 N ASP A 84 -9.407 8.621 7.923 1.00 1.68 N ATOM 1315 CA ASP A 84 -9.755 9.733 8.859 1.00 1.93 C ATOM 1316 C ASP A 84 -11.126 10.272 8.476 1.00 2.49 C ATOM 1317 O ASP A 84 -11.998 10.375 9.312 1.00 3.36 O ATOM 1318 CB ASP A 84 -8.733 10.877 8.733 1.00 2.25 C ATOM 1319 CG ASP A 84 -7.284 10.368 8.668 1.00 2.61 C ATOM 1320 OD1 ASP A 84 -7.074 9.199 8.982 1.00 3.45 O ATOM 1321 OD2 ASP A 84 -6.445 11.192 8.349 1.00 3.10 O ATOM 0 H ASP A 84 -9.257 8.898 6.953 1.00 1.68 H new ATOM 0 HA ASP A 84 -9.751 9.356 9.882 1.00 1.93 H new ATOM 0 HB2 ASP A 84 -8.951 11.458 7.837 1.00 2.25 H new ATOM 0 HB3 ASP A 84 -8.840 11.551 9.583 1.00 2.25 H new