USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 GLN : amide:sc= -1.24 K(o=-1.3,f=-3.6!) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.0242 X(o=-1.3,f=-1.3) USER MOD Single : A 1 MET CE :methyl -176:sc= -0.0383 (180deg=-0.123) USER MOD Single : A 1 MET N :NH3+ -122:sc= -1.75! (180deg=-4.1!) USER MOD Single : A 2 GLN : amide:sc= -1.63 K(o=-1.6,f=-7.7!) USER MOD Single : A 3 THR OG1 : rot 130:sc= 1.88 USER MOD Single : A 9 SER OG : rot -64:sc= 1.19 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -1.3! (180deg=-2!) USER MOD Single : A 23 LYS NZ :NH3+ -137:sc= 0.838 (180deg=-2.19) USER MOD Single : A 25 SER OG : rot -46:sc= 1.15 USER MOD Single : A 26 ASN : amide:sc= -3.78! C(o=-3.8!,f=-9.8!) USER MOD Single : A 32 GLN : amide:sc= 0.974 K(o=0.97,f=-1.3) USER MOD Single : A 33 TYR OH : rot -102:sc= 0.718 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 35 TYR OH : rot 161:sc= 1.21 USER MOD Single : A 44 THR OG1 : rot -160:sc= 0.272 USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= 0.422! (180deg=-0.399) USER MOD Single : A 51 LYS NZ :NH3+ -113:sc= -0.105 (180deg=-1.6!) USER MOD Single : A 54 LYS NZ :NH3+ -112:sc= -1.86! (180deg=-6.95!) USER MOD Single : A 58 THR OG1 : rot 134:sc= 0.739 USER MOD Single : A 61 GLN : amide:sc= -8.93! C(o=-8.9!,f=-9.6!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 67 GLN : amide:sc= -2.12! K(o=-2.1!,f=-0.58) USER MOD Single : A 68 HIS : no HE2:sc= -4.12! C(o=-4.1!,f=-8.8!) USER MOD Single : A 72 TYR OH : rot -15:sc= 1.17 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.316 USER MOD Single : A 80 LYS NZ :NH3+ -125:sc= -7.27! (180deg=-11.8!) USER MOD Single : A 82 ASN : amide:sc= -4.3! C(o=-4.3!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.844 -2.374 7.416 1.00 2.24 N ATOM 2 CA MET A 1 -8.758 -2.679 5.966 1.00 1.40 C ATOM 3 C MET A 1 -7.381 -3.297 5.720 1.00 1.27 C ATOM 4 O MET A 1 -6.520 -3.221 6.587 1.00 1.39 O ATOM 5 CB MET A 1 -8.914 -1.396 5.134 1.00 1.62 C ATOM 6 CG MET A 1 -10.312 -0.804 5.351 1.00 2.19 C ATOM 7 SD MET A 1 -10.551 0.926 4.883 1.00 2.42 S ATOM 8 CE MET A 1 -10.000 1.655 6.446 1.00 2.34 C ATOM 0 H1 MET A 1 -9.659 -2.873 7.828 1.00 2.24 H new ATOM 0 H2 MET A 1 -7.972 -2.686 7.889 1.00 2.24 H new ATOM 0 H3 MET A 1 -8.962 -1.349 7.549 1.00 2.24 H new ATOM 0 HA MET A 1 -9.554 -3.362 5.671 1.00 1.40 H new ATOM 0 HB2 MET A 1 -8.153 -0.670 5.421 1.00 1.62 H new ATOM 0 HB3 MET A 1 -8.762 -1.616 4.077 1.00 1.62 H new ATOM 0 HG2 MET A 1 -11.026 -1.408 4.792 1.00 2.19 H new ATOM 0 HG3 MET A 1 -10.564 -0.908 6.406 1.00 2.19 H new ATOM 0 HE1 MET A 1 -10.131 2.736 6.409 1.00 2.34 H new ATOM 0 HE2 MET A 1 -10.590 1.246 7.266 1.00 2.34 H new ATOM 0 HE3 MET A 1 -8.947 1.423 6.605 1.00 2.34 H new ATOM 18 N GLN A 2 -7.177 -3.861 4.552 1.00 1.15 N ATOM 19 CA GLN A 2 -5.854 -4.489 4.253 1.00 1.11 C ATOM 20 C GLN A 2 -5.265 -3.886 2.977 1.00 0.96 C ATOM 21 O GLN A 2 -5.988 -3.626 2.028 1.00 1.32 O ATOM 22 CB GLN A 2 -6.070 -5.995 4.094 1.00 1.22 C ATOM 23 CG GLN A 2 -5.602 -6.696 5.375 1.00 2.02 C ATOM 24 CD GLN A 2 -4.074 -6.846 5.337 1.00 3.36 C ATOM 25 OE1 GLN A 2 -3.363 -6.040 4.771 1.00 4.33 O ATOM 26 NE2 GLN A 2 -3.521 -7.862 5.918 1.00 4.65 N ATOM 0 H GLN A 2 -7.864 -3.913 3.800 1.00 1.15 H new ATOM 0 HA GLN A 2 -5.150 -4.302 5.064 1.00 1.11 H new ATOM 0 HB2 GLN A 2 -7.123 -6.208 3.909 1.00 1.22 H new ATOM 0 HB3 GLN A 2 -5.514 -6.368 3.234 1.00 1.22 H new ATOM 0 HG2 GLN A 2 -5.901 -6.119 6.250 1.00 2.02 H new ATOM 0 HG3 GLN A 2 -6.074 -7.675 5.462 1.00 2.02 H new ATOM 0 HE21 GLN A 2 -4.099 -8.551 6.399 1.00 4.65 H new ATOM 0 HE22 GLN A 2 -2.507 -7.973 5.895 1.00 4.65 H new ATOM 35 N THR A 3 -3.965 -3.717 2.951 1.00 0.56 N ATOM 36 CA THR A 3 -3.335 -3.094 1.741 1.00 0.47 C ATOM 37 C THR A 3 -2.220 -3.955 1.125 1.00 0.43 C ATOM 38 O THR A 3 -1.473 -4.600 1.819 1.00 0.54 O ATOM 39 CB THR A 3 -2.749 -1.752 2.185 1.00 0.54 C ATOM 40 OG1 THR A 3 -3.838 -1.040 2.754 1.00 0.60 O ATOM 41 CG2 THR A 3 -2.298 -0.911 0.995 1.00 0.68 C ATOM 0 H THR A 3 -3.322 -3.977 3.699 1.00 0.56 H new ATOM 0 HA THR A 3 -4.097 -2.985 0.970 1.00 0.47 H new ATOM 0 HB THR A 3 -1.902 -1.926 2.849 1.00 0.54 H new ATOM 0 HG1 THR A 3 -3.578 -0.691 3.632 1.00 0.60 H new ATOM 0 HG21 THR A 3 -1.888 0.034 1.352 1.00 0.68 H new ATOM 0 HG22 THR A 3 -1.533 -1.451 0.437 1.00 0.68 H new ATOM 0 HG23 THR A 3 -3.150 -0.714 0.345 1.00 0.68 H new ATOM 49 N VAL A 4 -2.115 -3.914 -0.179 1.00 0.37 N ATOM 50 CA VAL A 4 -1.045 -4.691 -0.896 1.00 0.37 C ATOM 51 C VAL A 4 -0.187 -3.698 -1.680 1.00 0.37 C ATOM 52 O VAL A 4 -0.735 -2.789 -2.287 1.00 0.45 O ATOM 53 CB VAL A 4 -1.692 -5.681 -1.877 1.00 0.46 C ATOM 54 CG1 VAL A 4 -0.594 -6.546 -2.518 1.00 0.58 C ATOM 55 CG2 VAL A 4 -2.698 -6.574 -1.135 1.00 0.55 C ATOM 0 H VAL A 4 -2.728 -3.372 -0.788 1.00 0.37 H new ATOM 0 HA VAL A 4 -0.439 -5.245 -0.180 1.00 0.37 H new ATOM 0 HB VAL A 4 -2.222 -5.130 -2.654 1.00 0.46 H new ATOM 0 HG11 VAL A 4 -1.047 -7.251 -3.215 1.00 0.58 H new ATOM 0 HG12 VAL A 4 0.107 -5.906 -3.053 1.00 0.58 H new ATOM 0 HG13 VAL A 4 -0.063 -7.095 -1.740 1.00 0.58 H new ATOM 0 HG21 VAL A 4 -3.152 -7.273 -1.838 1.00 0.55 H new ATOM 0 HG22 VAL A 4 -2.182 -7.130 -0.352 1.00 0.55 H new ATOM 0 HG23 VAL A 4 -3.475 -5.953 -0.688 1.00 0.55 H new ATOM 65 N ILE A 5 1.113 -3.877 -1.634 1.00 0.34 N ATOM 66 CA ILE A 5 2.024 -2.956 -2.381 1.00 0.36 C ATOM 67 C ILE A 5 2.810 -3.748 -3.437 1.00 0.37 C ATOM 68 O ILE A 5 3.532 -4.667 -3.093 1.00 0.42 O ATOM 69 CB ILE A 5 3.034 -2.310 -1.403 1.00 0.41 C ATOM 70 CG1 ILE A 5 2.294 -1.604 -0.249 1.00 0.50 C ATOM 71 CG2 ILE A 5 3.881 -1.268 -2.155 1.00 0.43 C ATOM 72 CD1 ILE A 5 3.299 -1.151 0.815 1.00 2.29 C ATOM 0 H ILE A 5 1.580 -4.619 -1.113 1.00 0.34 H new ATOM 0 HA ILE A 5 1.423 -2.184 -2.862 1.00 0.36 H new ATOM 0 HB ILE A 5 3.671 -3.095 -0.996 1.00 0.41 H new ATOM 0 HG12 ILE A 5 1.743 -0.744 -0.631 1.00 0.50 H new ATOM 0 HG13 ILE A 5 1.563 -2.280 0.194 1.00 0.50 H new ATOM 0 HG21 ILE A 5 4.593 -0.812 -1.467 1.00 0.43 H new ATOM 0 HG22 ILE A 5 4.422 -1.756 -2.966 1.00 0.43 H new ATOM 0 HG23 ILE A 5 3.229 -0.497 -2.566 1.00 0.43 H new ATOM 0 HD11 ILE A 5 2.769 -0.653 1.627 1.00 2.29 H new ATOM 0 HD12 ILE A 5 3.830 -2.019 1.206 1.00 2.29 H new ATOM 0 HD13 ILE A 5 4.013 -0.459 0.369 1.00 2.29 H new ATOM 84 N PHE A 6 2.689 -3.367 -4.687 1.00 0.43 N ATOM 85 CA PHE A 6 3.456 -4.087 -5.752 1.00 0.51 C ATOM 86 C PHE A 6 4.770 -3.327 -5.972 1.00 0.64 C ATOM 87 O PHE A 6 4.854 -2.448 -6.817 1.00 0.85 O ATOM 88 CB PHE A 6 2.658 -4.119 -7.063 1.00 0.71 C ATOM 89 CG PHE A 6 1.465 -5.074 -6.945 1.00 0.76 C ATOM 90 CD1 PHE A 6 0.288 -4.656 -6.357 1.00 0.94 C ATOM 91 CD2 PHE A 6 1.536 -6.355 -7.465 1.00 0.92 C ATOM 92 CE1 PHE A 6 -0.804 -5.501 -6.299 1.00 1.10 C ATOM 93 CE2 PHE A 6 0.446 -7.198 -7.406 1.00 1.05 C ATOM 94 CZ PHE A 6 -0.725 -6.769 -6.825 1.00 1.08 C ATOM 0 H PHE A 6 2.101 -2.600 -5.012 1.00 0.43 H new ATOM 0 HA PHE A 6 3.645 -5.115 -5.444 1.00 0.51 H new ATOM 0 HB2 PHE A 6 2.306 -3.116 -7.305 1.00 0.71 H new ATOM 0 HB3 PHE A 6 3.305 -4.436 -7.881 1.00 0.71 H new ATOM 0 HD1 PHE A 6 0.220 -3.662 -5.940 1.00 0.94 H new ATOM 0 HD2 PHE A 6 2.453 -6.697 -7.921 1.00 0.92 H new ATOM 0 HE1 PHE A 6 -1.722 -5.165 -5.839 1.00 1.10 H new ATOM 0 HE2 PHE A 6 0.512 -8.195 -7.816 1.00 1.05 H new ATOM 0 HZ PHE A 6 -1.580 -7.427 -6.782 1.00 1.08 H new ATOM 104 N GLY A 7 5.760 -3.677 -5.184 1.00 0.70 N ATOM 105 CA GLY A 7 7.091 -2.995 -5.291 1.00 0.97 C ATOM 106 C GLY A 7 8.141 -3.997 -5.757 1.00 0.93 C ATOM 107 O GLY A 7 7.788 -5.036 -6.267 1.00 0.94 O ATOM 0 H GLY A 7 5.704 -4.405 -4.472 1.00 0.70 H new ATOM 0 HA2 GLY A 7 7.030 -2.164 -5.993 1.00 0.97 H new ATOM 0 HA3 GLY A 7 7.376 -2.577 -4.326 1.00 0.97 H new ATOM 111 N ARG A 8 9.406 -3.677 -5.610 1.00 1.09 N ATOM 112 CA ARG A 8 10.473 -4.643 -6.053 1.00 1.21 C ATOM 113 C ARG A 8 11.473 -4.875 -4.902 1.00 1.60 C ATOM 114 O ARG A 8 11.172 -4.582 -3.760 1.00 2.57 O ATOM 115 CB ARG A 8 11.185 -4.047 -7.282 1.00 1.40 C ATOM 116 CG ARG A 8 11.901 -5.148 -8.084 1.00 2.21 C ATOM 117 CD ARG A 8 13.267 -4.623 -8.556 1.00 2.75 C ATOM 118 NE ARG A 8 14.079 -4.204 -7.365 1.00 3.55 N ATOM 119 CZ ARG A 8 15.316 -4.573 -7.255 1.00 4.68 C ATOM 120 NH1 ARG A 8 15.578 -5.818 -7.003 1.00 5.63 N ATOM 121 NH2 ARG A 8 16.233 -3.655 -7.369 1.00 5.54 N ATOM 0 H ARG A 8 9.746 -2.803 -5.209 1.00 1.09 H new ATOM 0 HA ARG A 8 10.033 -5.604 -6.319 1.00 1.21 H new ATOM 0 HB2 ARG A 8 10.459 -3.540 -7.918 1.00 1.40 H new ATOM 0 HB3 ARG A 8 11.907 -3.296 -6.961 1.00 1.40 H new ATOM 0 HG2 ARG A 8 12.033 -6.037 -7.467 1.00 2.21 H new ATOM 0 HG3 ARG A 8 11.295 -5.442 -8.941 1.00 2.21 H new ATOM 0 HD2 ARG A 8 13.793 -5.397 -9.115 1.00 2.75 H new ATOM 0 HD3 ARG A 8 13.131 -3.779 -9.232 1.00 2.75 H new ATOM 0 HE ARG A 8 13.655 -3.626 -6.639 1.00 3.55 H new ATOM 0 HH11 ARG A 8 14.816 -6.488 -6.895 1.00 5.63 H new ATOM 0 HH12 ARG A 8 16.546 -6.127 -6.913 1.00 5.63 H new ATOM 0 HH21 ARG A 8 15.966 -2.685 -7.539 1.00 5.54 H new ATOM 0 HH22 ARG A 8 17.218 -3.906 -7.288 1.00 5.54 H new ATOM 135 N SER A 9 12.658 -5.322 -5.228 1.00 2.13 N ATOM 136 CA SER A 9 13.685 -5.584 -4.173 1.00 2.60 C ATOM 137 C SER A 9 14.690 -4.417 -4.163 1.00 2.48 C ATOM 138 O SER A 9 15.868 -4.584 -4.431 1.00 3.17 O ATOM 139 CB SER A 9 14.400 -6.924 -4.478 1.00 3.11 C ATOM 140 OG SER A 9 13.793 -7.432 -5.680 1.00 3.81 O ATOM 0 H SER A 9 12.961 -5.518 -6.182 1.00 2.13 H new ATOM 0 HA SER A 9 13.217 -5.658 -3.191 1.00 2.60 H new ATOM 0 HB2 SER A 9 15.471 -6.773 -4.615 1.00 3.11 H new ATOM 0 HB3 SER A 9 14.281 -7.627 -3.653 1.00 3.11 H new ATOM 0 HG SER A 9 12.848 -7.630 -5.511 1.00 3.81 H new ATOM 146 N GLY A 10 14.183 -3.245 -3.883 1.00 2.24 N ATOM 147 CA GLY A 10 15.061 -2.037 -3.860 1.00 2.44 C ATOM 148 C GLY A 10 14.755 -1.206 -5.104 1.00 2.22 C ATOM 149 O GLY A 10 15.282 -1.475 -6.171 1.00 2.82 O ATOM 0 H GLY A 10 13.201 -3.072 -3.670 1.00 2.24 H new ATOM 0 HA2 GLY A 10 14.881 -1.452 -2.958 1.00 2.44 H new ATOM 0 HA3 GLY A 10 16.111 -2.329 -3.846 1.00 2.44 H new ATOM 153 N CYS A 11 13.853 -0.279 -4.963 1.00 1.83 N ATOM 154 CA CYS A 11 13.468 0.577 -6.119 1.00 1.76 C ATOM 155 C CYS A 11 12.906 1.921 -5.622 1.00 1.76 C ATOM 156 O CYS A 11 11.768 2.241 -5.886 1.00 2.35 O ATOM 157 CB CYS A 11 12.405 -0.194 -6.911 1.00 1.75 C ATOM 158 SG CYS A 11 11.379 -1.335 -5.956 1.00 1.83 S ATOM 0 H CYS A 11 13.362 -0.075 -4.092 1.00 1.83 H new ATOM 0 HA CYS A 11 14.331 0.798 -6.748 1.00 1.76 H new ATOM 0 HB2 CYS A 11 11.752 0.527 -7.402 1.00 1.75 H new ATOM 0 HB3 CYS A 11 12.905 -0.758 -7.698 1.00 1.75 H new ATOM 163 N PRO A 12 13.745 2.693 -4.953 1.00 1.77 N ATOM 164 CA PRO A 12 13.344 3.579 -3.825 1.00 1.78 C ATOM 165 C PRO A 12 11.845 3.917 -3.798 1.00 1.59 C ATOM 166 O PRO A 12 11.182 3.710 -2.797 1.00 1.86 O ATOM 167 CB PRO A 12 14.222 4.827 -4.017 1.00 2.11 C ATOM 168 CG PRO A 12 15.376 4.412 -4.977 1.00 2.35 C ATOM 169 CD PRO A 12 15.132 2.945 -5.385 1.00 2.17 C ATOM 0 HA PRO A 12 13.495 3.092 -2.861 1.00 1.78 H new ATOM 0 HB2 PRO A 12 13.642 5.648 -4.439 1.00 2.11 H new ATOM 0 HB3 PRO A 12 14.617 5.174 -3.062 1.00 2.11 H new ATOM 0 HG2 PRO A 12 15.395 5.057 -5.856 1.00 2.35 H new ATOM 0 HG3 PRO A 12 16.342 4.517 -4.484 1.00 2.35 H new ATOM 0 HD2 PRO A 12 15.250 2.802 -6.459 1.00 2.17 H new ATOM 0 HD3 PRO A 12 15.834 2.270 -4.895 1.00 2.17 H new ATOM 177 N TYR A 13 11.354 4.446 -4.892 1.00 1.48 N ATOM 178 CA TYR A 13 9.899 4.805 -4.971 1.00 1.44 C ATOM 179 C TYR A 13 9.015 3.717 -4.360 1.00 1.19 C ATOM 180 O TYR A 13 8.091 4.009 -3.623 1.00 1.30 O ATOM 181 CB TYR A 13 9.500 5.020 -6.439 1.00 1.66 C ATOM 182 CG TYR A 13 9.611 6.510 -6.763 1.00 1.81 C ATOM 183 CD1 TYR A 13 10.824 7.165 -6.672 1.00 2.74 C ATOM 184 CD2 TYR A 13 8.483 7.237 -7.082 1.00 2.20 C ATOM 185 CE1 TYR A 13 10.901 8.523 -6.888 1.00 3.56 C ATOM 186 CE2 TYR A 13 8.562 8.597 -7.290 1.00 3.00 C ATOM 187 CZ TYR A 13 9.773 9.248 -7.195 1.00 3.56 C ATOM 188 OH TYR A 13 9.854 10.607 -7.393 1.00 4.63 O ATOM 0 H TYR A 13 11.895 4.645 -5.734 1.00 1.48 H new ATOM 0 HA TYR A 13 9.750 5.722 -4.402 1.00 1.44 H new ATOM 0 HB2 TYR A 13 10.149 4.441 -7.096 1.00 1.66 H new ATOM 0 HB3 TYR A 13 8.481 4.671 -6.609 1.00 1.66 H new ATOM 0 HD1 TYR A 13 11.717 6.609 -6.430 1.00 2.74 H new ATOM 0 HD2 TYR A 13 7.530 6.736 -7.169 1.00 2.20 H new ATOM 0 HE1 TYR A 13 11.855 9.023 -6.816 1.00 3.56 H new ATOM 0 HE2 TYR A 13 7.669 9.156 -7.529 1.00 3.00 H new ATOM 0 HH TYR A 13 8.964 10.961 -7.602 1.00 4.63 H new ATOM 198 N CYS A 14 9.304 2.486 -4.688 1.00 1.02 N ATOM 199 CA CYS A 14 8.487 1.366 -4.135 1.00 0.86 C ATOM 200 C CYS A 14 8.490 1.387 -2.602 1.00 0.67 C ATOM 201 O CYS A 14 7.450 1.268 -1.972 1.00 0.69 O ATOM 202 CB CYS A 14 9.059 0.028 -4.613 1.00 0.88 C ATOM 203 SG CYS A 14 10.815 -0.289 -4.327 1.00 2.40 S ATOM 0 H CYS A 14 10.064 2.208 -5.310 1.00 1.02 H new ATOM 0 HA CYS A 14 7.463 1.488 -4.487 1.00 0.86 H new ATOM 0 HB2 CYS A 14 8.492 -0.769 -4.132 1.00 0.88 H new ATOM 0 HB3 CYS A 14 8.875 -0.051 -5.684 1.00 0.88 H new ATOM 208 N VAL A 15 9.658 1.557 -2.041 1.00 0.61 N ATOM 209 CA VAL A 15 9.786 1.573 -0.551 1.00 0.54 C ATOM 210 C VAL A 15 8.869 2.633 0.065 1.00 0.52 C ATOM 211 O VAL A 15 8.236 2.406 1.083 1.00 0.60 O ATOM 212 CB VAL A 15 11.249 1.859 -0.182 1.00 0.68 C ATOM 213 CG1 VAL A 15 11.415 1.895 1.352 1.00 0.77 C ATOM 214 CG2 VAL A 15 12.122 0.734 -0.769 1.00 0.81 C ATOM 0 H VAL A 15 10.532 1.686 -2.551 1.00 0.61 H new ATOM 0 HA VAL A 15 9.486 0.603 -0.156 1.00 0.54 H new ATOM 0 HB VAL A 15 11.550 2.826 -0.585 1.00 0.68 H new ATOM 0 HG11 VAL A 15 12.457 2.099 1.601 1.00 0.77 H new ATOM 0 HG12 VAL A 15 10.783 2.679 1.768 1.00 0.77 H new ATOM 0 HG13 VAL A 15 11.123 0.933 1.772 1.00 0.77 H new ATOM 0 HG21 VAL A 15 13.167 0.916 -0.519 1.00 0.81 H new ATOM 0 HG22 VAL A 15 11.811 -0.224 -0.351 1.00 0.81 H new ATOM 0 HG23 VAL A 15 12.007 0.712 -1.853 1.00 0.81 H new ATOM 224 N ARG A 16 8.838 3.788 -0.538 1.00 0.55 N ATOM 225 CA ARG A 16 7.970 4.871 0.028 1.00 0.63 C ATOM 226 C ARG A 16 6.563 4.379 0.366 1.00 0.70 C ATOM 227 O ARG A 16 6.057 4.652 1.448 1.00 1.26 O ATOM 228 CB ARG A 16 7.881 6.061 -0.944 1.00 0.74 C ATOM 229 CG ARG A 16 9.222 6.830 -1.029 1.00 1.33 C ATOM 230 CD ARG A 16 10.030 6.755 0.296 1.00 2.28 C ATOM 231 NE ARG A 16 9.174 7.005 1.516 1.00 2.08 N ATOM 232 CZ ARG A 16 8.083 7.718 1.448 1.00 2.51 C ATOM 233 NH1 ARG A 16 8.157 8.942 1.017 1.00 3.67 N ATOM 234 NH2 ARG A 16 6.949 7.175 1.784 1.00 3.19 N ATOM 0 H ARG A 16 9.361 4.031 -1.379 1.00 0.55 H new ATOM 0 HA ARG A 16 8.441 5.191 0.957 1.00 0.63 H new ATOM 0 HB2 ARG A 16 7.604 5.702 -1.935 1.00 0.74 H new ATOM 0 HB3 ARG A 16 7.092 6.739 -0.618 1.00 0.74 H new ATOM 0 HG2 ARG A 16 9.822 6.421 -1.842 1.00 1.33 H new ATOM 0 HG3 ARG A 16 9.025 7.874 -1.273 1.00 1.33 H new ATOM 0 HD2 ARG A 16 10.495 5.772 0.378 1.00 2.28 H new ATOM 0 HD3 ARG A 16 10.837 7.488 0.267 1.00 2.28 H new ATOM 0 HE ARG A 16 9.455 6.608 2.412 1.00 2.08 H new ATOM 0 HH11 ARG A 16 9.058 9.331 0.738 1.00 3.67 H new ATOM 0 HH12 ARG A 16 7.314 9.514 0.957 1.00 3.67 H new ATOM 0 HH21 ARG A 16 6.921 6.204 2.096 1.00 3.19 H new ATOM 0 HH22 ARG A 16 6.088 7.720 1.736 1.00 3.19 H new ATOM 248 N ALA A 17 5.950 3.701 -0.560 1.00 0.58 N ATOM 249 CA ALA A 17 4.577 3.176 -0.289 1.00 0.58 C ATOM 250 C ALA A 17 4.603 2.368 1.018 1.00 0.59 C ATOM 251 O ALA A 17 3.761 2.529 1.883 1.00 0.67 O ATOM 252 CB ALA A 17 4.154 2.298 -1.464 1.00 0.60 C ATOM 0 H ALA A 17 6.330 3.487 -1.482 1.00 0.58 H new ATOM 0 HA ALA A 17 3.861 3.991 -0.180 1.00 0.58 H new ATOM 0 HB1 ALA A 17 3.153 1.906 -1.283 1.00 0.60 H new ATOM 0 HB2 ALA A 17 4.152 2.891 -2.379 1.00 0.60 H new ATOM 0 HB3 ALA A 17 4.855 1.470 -1.570 1.00 0.60 H new ATOM 258 N LYS A 18 5.599 1.522 1.145 1.00 0.56 N ATOM 259 CA LYS A 18 5.707 0.708 2.382 1.00 0.64 C ATOM 260 C LYS A 18 5.800 1.657 3.578 1.00 0.67 C ATOM 261 O LYS A 18 5.080 1.486 4.523 1.00 0.83 O ATOM 262 CB LYS A 18 6.933 -0.219 2.270 1.00 0.68 C ATOM 263 CG LYS A 18 7.543 -0.533 3.650 1.00 1.03 C ATOM 264 CD LYS A 18 8.881 0.206 3.751 1.00 1.30 C ATOM 265 CE LYS A 18 9.360 0.269 5.208 1.00 1.92 C ATOM 266 NZ LYS A 18 8.499 1.214 5.961 1.00 2.46 N ATOM 0 H LYS A 18 6.330 1.366 0.451 1.00 0.56 H new ATOM 0 HA LYS A 18 4.831 0.074 2.521 1.00 0.64 H new ATOM 0 HB2 LYS A 18 6.642 -1.149 1.782 1.00 0.68 H new ATOM 0 HB3 LYS A 18 7.687 0.251 1.638 1.00 0.68 H new ATOM 0 HG2 LYS A 18 6.870 -0.215 4.446 1.00 1.03 H new ATOM 0 HG3 LYS A 18 7.690 -1.607 3.767 1.00 1.03 H new ATOM 0 HD2 LYS A 18 9.628 -0.300 3.139 1.00 1.30 H new ATOM 0 HD3 LYS A 18 8.775 1.216 3.354 1.00 1.30 H new ATOM 0 HE2 LYS A 18 9.317 -0.721 5.661 1.00 1.92 H new ATOM 0 HE3 LYS A 18 10.400 0.594 5.248 1.00 1.92 H new ATOM 0 HZ1 LYS A 18 8.643 1.077 6.982 1.00 2.46 H new ATOM 0 HZ2 LYS A 18 8.748 2.191 5.704 1.00 2.46 H new ATOM 0 HZ3 LYS A 18 7.501 1.037 5.726 1.00 2.46 H new ATOM 280 N ASP A 19 6.687 2.619 3.539 1.00 0.61 N ATOM 281 CA ASP A 19 6.766 3.561 4.695 1.00 0.70 C ATOM 282 C ASP A 19 5.390 4.081 5.034 1.00 0.68 C ATOM 283 O ASP A 19 5.014 4.060 6.174 1.00 0.73 O ATOM 284 CB ASP A 19 7.668 4.735 4.371 1.00 0.79 C ATOM 285 CG ASP A 19 9.044 4.215 4.014 1.00 1.74 C ATOM 286 OD1 ASP A 19 9.534 3.386 4.775 1.00 2.98 O ATOM 287 OD2 ASP A 19 9.529 4.689 3.007 1.00 2.72 O ATOM 0 H ASP A 19 7.344 2.791 2.778 1.00 0.61 H new ATOM 0 HA ASP A 19 7.177 3.017 5.545 1.00 0.70 H new ATOM 0 HB2 ASP A 19 7.255 5.309 3.541 1.00 0.79 H new ATOM 0 HB3 ASP A 19 7.730 5.409 5.225 1.00 0.79 H new ATOM 292 N LEU A 20 4.673 4.525 4.043 1.00 0.63 N ATOM 293 CA LEU A 20 3.303 5.039 4.333 1.00 0.63 C ATOM 294 C LEU A 20 2.444 3.930 4.957 1.00 0.60 C ATOM 295 O LEU A 20 2.081 4.000 6.120 1.00 0.61 O ATOM 296 CB LEU A 20 2.656 5.537 3.031 1.00 0.64 C ATOM 297 CG LEU A 20 1.155 5.820 3.237 1.00 0.59 C ATOM 298 CD1 LEU A 20 0.957 6.862 4.344 1.00 0.80 C ATOM 299 CD2 LEU A 20 0.563 6.367 1.933 1.00 0.77 C ATOM 0 H LEU A 20 4.964 4.556 3.066 1.00 0.63 H new ATOM 0 HA LEU A 20 3.372 5.866 5.040 1.00 0.63 H new ATOM 0 HB2 LEU A 20 3.158 6.444 2.694 1.00 0.64 H new ATOM 0 HB3 LEU A 20 2.785 4.791 2.247 1.00 0.64 H new ATOM 0 HG LEU A 20 0.657 4.893 3.522 1.00 0.59 H new ATOM 0 HD11 LEU A 20 -0.108 7.052 4.479 1.00 0.80 H new ATOM 0 HD12 LEU A 20 1.379 6.487 5.276 1.00 0.80 H new ATOM 0 HD13 LEU A 20 1.459 7.789 4.065 1.00 0.80 H new ATOM 0 HD21 LEU A 20 -0.499 6.569 2.072 1.00 0.77 H new ATOM 0 HD22 LEU A 20 1.075 7.289 1.660 1.00 0.77 H new ATOM 0 HD23 LEU A 20 0.691 5.632 1.139 1.00 0.77 H new ATOM 311 N ALA A 21 2.175 2.911 4.185 1.00 0.68 N ATOM 312 CA ALA A 21 1.330 1.784 4.686 1.00 0.73 C ATOM 313 C ALA A 21 1.755 1.375 6.093 1.00 0.74 C ATOM 314 O ALA A 21 0.961 1.327 7.014 1.00 0.80 O ATOM 315 CB ALA A 21 1.485 0.597 3.737 1.00 0.81 C ATOM 0 H ALA A 21 2.505 2.809 3.225 1.00 0.68 H new ATOM 0 HA ALA A 21 0.289 2.105 4.724 1.00 0.73 H new ATOM 0 HB1 ALA A 21 0.874 -0.233 4.090 1.00 0.81 H new ATOM 0 HB2 ALA A 21 1.162 0.886 2.737 1.00 0.81 H new ATOM 0 HB3 ALA A 21 2.530 0.290 3.706 1.00 0.81 H new ATOM 321 N GLU A 22 3.014 1.134 6.224 1.00 0.77 N ATOM 322 CA GLU A 22 3.568 0.728 7.531 1.00 0.85 C ATOM 323 C GLU A 22 3.259 1.843 8.542 1.00 0.86 C ATOM 324 O GLU A 22 2.682 1.594 9.587 1.00 0.97 O ATOM 325 CB GLU A 22 5.074 0.544 7.319 1.00 1.00 C ATOM 326 CG GLU A 22 5.678 -0.337 8.405 1.00 1.19 C ATOM 327 CD GLU A 22 7.132 -0.605 8.031 1.00 1.33 C ATOM 328 OE1 GLU A 22 7.335 -1.434 7.160 1.00 2.31 O ATOM 329 OE2 GLU A 22 7.958 0.106 8.562 1.00 1.86 O ATOM 0 H GLU A 22 3.697 1.201 5.470 1.00 0.77 H new ATOM 0 HA GLU A 22 3.140 -0.198 7.915 1.00 0.85 H new ATOM 0 HB2 GLU A 22 5.255 0.097 6.342 1.00 1.00 H new ATOM 0 HB3 GLU A 22 5.566 1.517 7.320 1.00 1.00 H new ATOM 0 HG2 GLU A 22 5.618 0.156 9.375 1.00 1.19 H new ATOM 0 HG3 GLU A 22 5.126 -1.273 8.489 1.00 1.19 H new ATOM 336 N LYS A 23 3.628 3.055 8.181 1.00 0.88 N ATOM 337 CA LYS A 23 3.381 4.244 9.070 1.00 1.04 C ATOM 338 C LYS A 23 1.968 4.189 9.660 1.00 1.01 C ATOM 339 O LYS A 23 1.723 4.684 10.749 1.00 1.55 O ATOM 340 CB LYS A 23 3.558 5.551 8.272 1.00 1.15 C ATOM 341 CG LYS A 23 3.357 6.766 9.198 1.00 1.36 C ATOM 342 CD LYS A 23 1.893 7.255 9.131 1.00 2.74 C ATOM 343 CE LYS A 23 1.571 8.127 10.352 1.00 3.51 C ATOM 344 NZ LYS A 23 1.513 7.316 11.606 1.00 3.79 N ATOM 0 H LYS A 23 4.094 3.273 7.300 1.00 0.88 H new ATOM 0 HA LYS A 23 4.105 4.219 9.884 1.00 1.04 H new ATOM 0 HB2 LYS A 23 4.553 5.583 7.827 1.00 1.15 H new ATOM 0 HB3 LYS A 23 2.841 5.586 7.452 1.00 1.15 H new ATOM 0 HG2 LYS A 23 3.611 6.496 10.223 1.00 1.36 H new ATOM 0 HG3 LYS A 23 4.030 7.571 8.904 1.00 1.36 H new ATOM 0 HD2 LYS A 23 1.733 7.825 8.216 1.00 2.74 H new ATOM 0 HD3 LYS A 23 1.217 6.400 9.097 1.00 2.74 H new ATOM 0 HE2 LYS A 23 2.328 8.904 10.455 1.00 3.51 H new ATOM 0 HE3 LYS A 23 0.616 8.631 10.199 1.00 3.51 H new ATOM 0 HZ1 LYS A 23 0.696 7.615 12.175 1.00 3.79 H new ATOM 0 HZ2 LYS A 23 1.417 6.309 11.364 1.00 3.79 H new ATOM 0 HZ3 LYS A 23 2.386 7.459 12.153 1.00 3.79 H new ATOM 358 N LEU A 24 1.055 3.717 8.864 1.00 0.64 N ATOM 359 CA LEU A 24 -0.356 3.595 9.339 1.00 0.69 C ATOM 360 C LEU A 24 -0.514 2.370 10.223 1.00 0.66 C ATOM 361 O LEU A 24 -1.215 2.397 11.222 1.00 0.71 O ATOM 362 CB LEU A 24 -1.269 3.470 8.127 1.00 0.73 C ATOM 363 CG LEU A 24 -1.605 4.875 7.643 1.00 1.11 C ATOM 364 CD1 LEU A 24 -2.057 4.798 6.189 1.00 1.21 C ATOM 365 CD2 LEU A 24 -2.733 5.447 8.514 1.00 1.38 C ATOM 0 H LEU A 24 1.220 3.409 7.905 1.00 0.64 H new ATOM 0 HA LEU A 24 -0.620 4.478 9.921 1.00 0.69 H new ATOM 0 HB2 LEU A 24 -0.778 2.902 7.337 1.00 0.73 H new ATOM 0 HB3 LEU A 24 -2.179 2.930 8.389 1.00 0.73 H new ATOM 0 HG LEU A 24 -0.731 5.522 7.717 1.00 1.11 H new ATOM 0 HD11 LEU A 24 -2.301 5.798 5.830 1.00 1.21 H new ATOM 0 HD12 LEU A 24 -1.255 4.380 5.580 1.00 1.21 H new ATOM 0 HD13 LEU A 24 -2.939 4.161 6.115 1.00 1.21 H new ATOM 0 HD21 LEU A 24 -2.980 6.453 8.175 1.00 1.38 H new ATOM 0 HD22 LEU A 24 -3.614 4.810 8.433 1.00 1.38 H new ATOM 0 HD23 LEU A 24 -2.407 5.485 9.553 1.00 1.38 H new ATOM 377 N SER A 25 0.049 1.289 9.782 1.00 0.62 N ATOM 378 CA SER A 25 -0.027 0.052 10.603 1.00 0.69 C ATOM 379 C SER A 25 0.404 0.365 12.030 1.00 0.93 C ATOM 380 O SER A 25 -0.235 -0.052 12.964 1.00 1.10 O ATOM 381 CB SER A 25 0.874 -1.009 9.989 1.00 0.80 C ATOM 382 OG SER A 25 0.238 -1.270 8.750 1.00 1.37 O ATOM 0 H SER A 25 0.554 1.204 8.900 1.00 0.62 H new ATOM 0 HA SER A 25 -1.050 -0.324 10.624 1.00 0.69 H new ATOM 0 HB2 SER A 25 1.893 -0.647 9.854 1.00 0.80 H new ATOM 0 HB3 SER A 25 0.932 -1.902 10.611 1.00 0.80 H new ATOM 0 HG SER A 25 -0.727 -1.369 8.892 1.00 1.37 H new ATOM 388 N ASN A 26 1.445 1.138 12.183 1.00 1.13 N ATOM 389 CA ASN A 26 1.878 1.468 13.579 1.00 1.37 C ATOM 390 C ASN A 26 1.023 2.601 14.178 1.00 1.34 C ATOM 391 O ASN A 26 1.482 3.370 15.003 1.00 2.01 O ATOM 392 CB ASN A 26 3.336 1.895 13.566 1.00 1.49 C ATOM 393 CG ASN A 26 3.488 3.159 12.746 1.00 3.04 C ATOM 394 OD1 ASN A 26 3.734 3.100 11.572 1.00 4.75 O ATOM 395 ND2 ASN A 26 3.330 4.312 13.320 1.00 3.88 N ATOM 0 H ASN A 26 2.001 1.546 11.432 1.00 1.13 H new ATOM 0 HA ASN A 26 1.749 0.578 14.195 1.00 1.37 H new ATOM 0 HB2 ASN A 26 3.684 2.066 14.585 1.00 1.49 H new ATOM 0 HB3 ASN A 26 3.954 1.101 13.147 1.00 1.49 H new ATOM 0 HD21 ASN A 26 3.415 5.169 12.774 1.00 3.88 H new ATOM 0 HD22 ASN A 26 3.121 4.361 14.317 1.00 3.88 H new ATOM 402 N GLU A 27 -0.182 2.673 13.709 1.00 1.28 N ATOM 403 CA GLU A 27 -1.180 3.685 14.185 1.00 1.56 C ATOM 404 C GLU A 27 -2.483 3.002 14.596 1.00 2.02 C ATOM 405 O GLU A 27 -2.855 3.020 15.754 1.00 2.91 O ATOM 406 CB GLU A 27 -1.527 4.701 13.079 1.00 1.83 C ATOM 407 CG GLU A 27 -0.983 6.098 13.395 1.00 2.33 C ATOM 408 CD GLU A 27 -1.789 7.131 12.575 1.00 3.06 C ATOM 409 OE1 GLU A 27 -3.016 7.046 12.620 1.00 4.21 O ATOM 410 OE2 GLU A 27 -1.140 7.940 11.941 1.00 3.08 O ATOM 0 H GLU A 27 -0.540 2.050 12.985 1.00 1.28 H new ATOM 0 HA GLU A 27 -0.724 4.197 15.032 1.00 1.56 H new ATOM 0 HB2 GLU A 27 -1.117 4.358 12.129 1.00 1.83 H new ATOM 0 HB3 GLU A 27 -2.609 4.751 12.959 1.00 1.83 H new ATOM 0 HG2 GLU A 27 -1.071 6.307 14.461 1.00 2.33 H new ATOM 0 HG3 GLU A 27 0.076 6.158 13.145 1.00 2.33 H new ATOM 417 N ARG A 28 -3.137 2.410 13.637 1.00 1.63 N ATOM 418 CA ARG A 28 -4.433 1.746 13.935 1.00 2.10 C ATOM 419 C ARG A 28 -4.333 0.254 13.612 1.00 2.04 C ATOM 420 O ARG A 28 -3.660 -0.147 12.680 1.00 2.74 O ATOM 421 CB ARG A 28 -5.528 2.406 13.080 1.00 2.25 C ATOM 422 CG ARG A 28 -5.512 3.943 13.278 1.00 2.63 C ATOM 423 CD ARG A 28 -5.969 4.632 11.982 1.00 2.05 C ATOM 424 NE ARG A 28 -5.841 6.118 12.124 1.00 2.71 N ATOM 425 CZ ARG A 28 -6.899 6.858 11.917 1.00 3.17 C ATOM 426 NH1 ARG A 28 -7.376 6.919 10.713 1.00 3.56 N ATOM 427 NH2 ARG A 28 -7.462 7.461 12.916 1.00 4.15 N ATOM 0 H ARG A 28 -2.832 2.358 12.665 1.00 1.63 H new ATOM 0 HA ARG A 28 -4.679 1.855 14.991 1.00 2.10 H new ATOM 0 HB2 ARG A 28 -5.371 2.166 12.028 1.00 2.25 H new ATOM 0 HB3 ARG A 28 -6.504 2.007 13.356 1.00 2.25 H new ATOM 0 HG2 ARG A 28 -6.170 4.221 14.102 1.00 2.63 H new ATOM 0 HG3 ARG A 28 -4.509 4.275 13.545 1.00 2.63 H new ATOM 0 HD2 ARG A 28 -5.366 4.285 11.143 1.00 2.05 H new ATOM 0 HD3 ARG A 28 -7.003 4.366 11.763 1.00 2.05 H new ATOM 0 HE ARG A 28 -4.949 6.543 12.376 1.00 2.71 H new ATOM 0 HH11 ARG A 28 -6.927 6.398 9.960 1.00 3.56 H new ATOM 0 HH12 ARG A 28 -8.200 7.488 10.519 1.00 3.56 H new ATOM 0 HH21 ARG A 28 -7.080 7.357 13.856 1.00 4.15 H new ATOM 0 HH22 ARG A 28 -8.288 8.040 12.763 1.00 4.15 H new ATOM 441 N ASP A 29 -5.084 -0.526 14.330 1.00 2.49 N ATOM 442 CA ASP A 29 -5.054 -1.999 14.113 1.00 2.69 C ATOM 443 C ASP A 29 -5.774 -2.313 12.814 1.00 1.89 C ATOM 444 O ASP A 29 -5.485 -3.287 12.155 1.00 2.44 O ATOM 445 CB ASP A 29 -5.796 -2.720 15.250 1.00 3.81 C ATOM 446 CG ASP A 29 -5.719 -1.918 16.548 1.00 4.28 C ATOM 447 OD1 ASP A 29 -6.431 -0.924 16.605 1.00 4.07 O ATOM 448 OD2 ASP A 29 -4.957 -2.336 17.396 1.00 5.58 O ATOM 0 H ASP A 29 -5.721 -0.208 15.061 1.00 2.49 H new ATOM 0 HA ASP A 29 -4.016 -2.332 14.082 1.00 2.69 H new ATOM 0 HB2 ASP A 29 -6.839 -2.869 14.971 1.00 3.81 H new ATOM 0 HB3 ASP A 29 -5.363 -3.708 15.403 1.00 3.81 H new ATOM 453 N ASP A 30 -6.674 -1.446 12.444 1.00 1.24 N ATOM 454 CA ASP A 30 -7.438 -1.689 11.199 1.00 1.04 C ATOM 455 C ASP A 30 -6.592 -1.425 9.957 1.00 1.04 C ATOM 456 O ASP A 30 -7.030 -1.749 8.886 1.00 1.66 O ATOM 457 CB ASP A 30 -8.692 -0.801 11.155 1.00 1.62 C ATOM 458 CG ASP A 30 -9.480 -1.125 9.872 1.00 2.35 C ATOM 459 OD1 ASP A 30 -9.920 -2.259 9.765 1.00 2.78 O ATOM 460 OD2 ASP A 30 -9.560 -0.244 9.031 1.00 3.31 O ATOM 0 H ASP A 30 -6.909 -0.590 12.946 1.00 1.24 H new ATOM 0 HA ASP A 30 -7.730 -2.739 11.201 1.00 1.04 H new ATOM 0 HB2 ASP A 30 -9.312 -0.978 12.034 1.00 1.62 H new ATOM 0 HB3 ASP A 30 -8.410 0.252 11.170 1.00 1.62 H new ATOM 465 N PHE A 31 -5.414 -0.873 10.077 1.00 0.96 N ATOM 466 CA PHE A 31 -4.643 -0.649 8.814 1.00 0.93 C ATOM 467 C PHE A 31 -3.489 -1.634 8.693 1.00 0.98 C ATOM 468 O PHE A 31 -2.429 -1.431 9.257 1.00 1.14 O ATOM 469 CB PHE A 31 -4.066 0.769 8.717 1.00 0.93 C ATOM 470 CG PHE A 31 -3.538 0.896 7.280 1.00 0.83 C ATOM 471 CD1 PHE A 31 -4.421 1.067 6.222 1.00 0.71 C ATOM 472 CD2 PHE A 31 -2.205 0.682 7.011 1.00 0.97 C ATOM 473 CE1 PHE A 31 -3.966 1.009 4.920 1.00 0.77 C ATOM 474 CE2 PHE A 31 -1.756 0.624 5.717 1.00 0.87 C ATOM 475 CZ PHE A 31 -2.634 0.786 4.670 1.00 0.78 C ATOM 0 H PHE A 31 -4.967 -0.579 10.946 1.00 0.96 H new ATOM 0 HA PHE A 31 -5.358 -0.796 8.004 1.00 0.93 H new ATOM 0 HB2 PHE A 31 -4.830 1.519 8.923 1.00 0.93 H new ATOM 0 HB3 PHE A 31 -3.268 0.919 9.444 1.00 0.93 H new ATOM 0 HD1 PHE A 31 -5.468 1.246 6.419 1.00 0.71 H new ATOM 0 HD2 PHE A 31 -1.507 0.559 7.826 1.00 0.97 H new ATOM 0 HE1 PHE A 31 -4.656 1.139 4.099 1.00 0.77 H new ATOM 0 HE2 PHE A 31 -0.709 0.450 5.519 1.00 0.87 H new ATOM 0 HZ PHE A 31 -2.276 0.738 3.652 1.00 0.78 H new ATOM 485 N GLN A 32 -3.723 -2.689 7.959 1.00 0.95 N ATOM 486 CA GLN A 32 -2.646 -3.696 7.757 1.00 1.02 C ATOM 487 C GLN A 32 -2.254 -3.673 6.282 1.00 0.96 C ATOM 488 O GLN A 32 -2.995 -3.181 5.439 1.00 1.42 O ATOM 489 CB GLN A 32 -3.150 -5.104 8.100 1.00 1.09 C ATOM 490 CG GLN A 32 -3.795 -5.134 9.495 1.00 1.30 C ATOM 491 CD GLN A 32 -5.289 -5.435 9.346 1.00 2.25 C ATOM 492 OE1 GLN A 32 -5.675 -6.350 8.652 1.00 2.73 O ATOM 493 NE2 GLN A 32 -6.161 -4.719 9.985 1.00 3.51 N ATOM 0 H GLN A 32 -4.607 -2.895 7.494 1.00 0.95 H new ATOM 0 HA GLN A 32 -1.801 -3.456 8.402 1.00 1.02 H new ATOM 0 HB2 GLN A 32 -3.875 -5.426 7.353 1.00 1.09 H new ATOM 0 HB3 GLN A 32 -2.320 -5.810 8.064 1.00 1.09 H new ATOM 0 HG2 GLN A 32 -3.318 -5.893 10.114 1.00 1.30 H new ATOM 0 HG3 GLN A 32 -3.652 -4.177 9.997 1.00 1.30 H new ATOM 0 HE21 GLN A 32 -5.853 -3.945 10.574 1.00 3.51 H new ATOM 0 HE22 GLN A 32 -7.155 -4.930 9.899 1.00 3.51 H new ATOM 502 N TYR A 33 -1.089 -4.174 5.994 1.00 0.71 N ATOM 503 CA TYR A 33 -0.637 -4.206 4.584 1.00 0.60 C ATOM 504 C TYR A 33 0.243 -5.435 4.374 1.00 0.56 C ATOM 505 O TYR A 33 0.688 -6.041 5.335 1.00 0.63 O ATOM 506 CB TYR A 33 0.145 -2.921 4.256 1.00 0.64 C ATOM 507 CG TYR A 33 1.512 -2.927 4.949 1.00 0.57 C ATOM 508 CD1 TYR A 33 1.618 -2.678 6.302 1.00 0.62 C ATOM 509 CD2 TYR A 33 2.653 -3.235 4.236 1.00 0.66 C ATOM 510 CE1 TYR A 33 2.843 -2.745 6.931 1.00 0.72 C ATOM 511 CE2 TYR A 33 3.874 -3.306 4.865 1.00 0.76 C ATOM 512 CZ TYR A 33 3.978 -3.066 6.218 1.00 0.76 C ATOM 513 OH TYR A 33 5.183 -3.242 6.871 1.00 0.99 O ATOM 0 H TYR A 33 -0.434 -4.561 6.673 1.00 0.71 H new ATOM 0 HA TYR A 33 -1.499 -4.262 3.919 1.00 0.60 H new ATOM 0 HB2 TYR A 33 0.279 -2.836 3.178 1.00 0.64 H new ATOM 0 HB3 TYR A 33 -0.427 -2.050 4.576 1.00 0.64 H new ATOM 0 HD1 TYR A 33 0.735 -2.429 6.872 1.00 0.62 H new ATOM 0 HD2 TYR A 33 2.586 -3.422 3.174 1.00 0.66 H new ATOM 0 HE1 TYR A 33 2.914 -2.545 7.990 1.00 0.72 H new ATOM 0 HE2 TYR A 33 4.758 -3.552 4.295 1.00 0.76 H new ATOM 0 HH TYR A 33 5.740 -2.444 6.751 1.00 0.99 H new ATOM 523 N GLN A 34 0.467 -5.762 3.140 1.00 0.51 N ATOM 524 CA GLN A 34 1.323 -6.922 2.793 1.00 0.55 C ATOM 525 C GLN A 34 2.322 -6.448 1.745 1.00 0.45 C ATOM 526 O GLN A 34 1.946 -5.762 0.800 1.00 0.48 O ATOM 527 CB GLN A 34 0.455 -8.049 2.211 1.00 0.70 C ATOM 528 CG GLN A 34 1.354 -9.222 1.783 1.00 1.00 C ATOM 529 CD GLN A 34 0.506 -10.312 1.126 1.00 2.42 C ATOM 530 OE1 GLN A 34 -0.504 -10.727 1.653 1.00 3.59 O ATOM 531 NE2 GLN A 34 0.882 -10.809 -0.018 1.00 3.36 N ATOM 0 H GLN A 34 0.084 -5.263 2.337 1.00 0.51 H new ATOM 0 HA GLN A 34 1.838 -7.303 3.675 1.00 0.55 H new ATOM 0 HB2 GLN A 34 -0.269 -8.384 2.953 1.00 0.70 H new ATOM 0 HB3 GLN A 34 -0.112 -7.681 1.356 1.00 0.70 H new ATOM 0 HG2 GLN A 34 2.116 -8.873 1.087 1.00 1.00 H new ATOM 0 HG3 GLN A 34 1.876 -9.627 2.650 1.00 1.00 H new ATOM 0 HE21 GLN A 34 1.730 -10.466 -0.469 1.00 3.36 H new ATOM 0 HE22 GLN A 34 0.328 -11.541 -0.463 1.00 3.36 H new ATOM 540 N TYR A 35 3.561 -6.833 1.892 1.00 0.54 N ATOM 541 CA TYR A 35 4.537 -6.375 0.879 1.00 0.59 C ATOM 542 C TYR A 35 4.556 -7.403 -0.241 1.00 0.52 C ATOM 543 O TYR A 35 4.440 -8.595 0.000 1.00 0.65 O ATOM 544 CB TYR A 35 5.947 -6.247 1.475 1.00 0.79 C ATOM 545 CG TYR A 35 6.828 -5.514 0.448 1.00 0.84 C ATOM 546 CD1 TYR A 35 6.584 -4.184 0.154 1.00 0.89 C ATOM 547 CD2 TYR A 35 7.818 -6.183 -0.254 1.00 1.10 C ATOM 548 CE1 TYR A 35 7.306 -3.538 -0.828 1.00 0.98 C ATOM 549 CE2 TYR A 35 8.538 -5.533 -1.237 1.00 1.19 C ATOM 550 CZ TYR A 35 8.287 -4.207 -1.534 1.00 1.05 C ATOM 551 OH TYR A 35 8.987 -3.562 -2.541 1.00 1.20 O ATOM 0 H TYR A 35 3.925 -7.422 2.641 1.00 0.54 H new ATOM 0 HA TYR A 35 4.242 -5.392 0.513 1.00 0.59 H new ATOM 0 HB2 TYR A 35 5.916 -5.695 2.414 1.00 0.79 H new ATOM 0 HB3 TYR A 35 6.358 -7.232 1.697 1.00 0.79 H new ATOM 0 HD1 TYR A 35 5.821 -3.647 0.698 1.00 0.89 H new ATOM 0 HD2 TYR A 35 8.028 -7.219 -0.031 1.00 1.10 H new ATOM 0 HE1 TYR A 35 7.103 -2.500 -1.047 1.00 0.98 H new ATOM 0 HE2 TYR A 35 9.305 -6.066 -1.779 1.00 1.19 H new ATOM 0 HH TYR A 35 9.816 -4.050 -2.727 1.00 1.20 H new ATOM 561 N VAL A 36 4.650 -6.916 -1.437 1.00 0.52 N ATOM 562 CA VAL A 36 4.688 -7.819 -2.608 1.00 0.48 C ATOM 563 C VAL A 36 5.830 -7.378 -3.525 1.00 0.53 C ATOM 564 O VAL A 36 6.004 -6.193 -3.750 1.00 0.63 O ATOM 565 CB VAL A 36 3.306 -7.732 -3.288 1.00 0.49 C ATOM 566 CG1 VAL A 36 3.427 -7.927 -4.806 1.00 0.53 C ATOM 567 CG2 VAL A 36 2.413 -8.835 -2.711 1.00 0.51 C ATOM 0 H VAL A 36 4.703 -5.921 -1.656 1.00 0.52 H new ATOM 0 HA VAL A 36 4.878 -8.858 -2.338 1.00 0.48 H new ATOM 0 HB VAL A 36 2.879 -6.747 -3.101 1.00 0.49 H new ATOM 0 HG11 VAL A 36 2.439 -7.861 -5.261 1.00 0.53 H new ATOM 0 HG12 VAL A 36 4.071 -7.152 -5.222 1.00 0.53 H new ATOM 0 HG13 VAL A 36 3.858 -8.907 -5.014 1.00 0.53 H new ATOM 0 HG21 VAL A 36 1.430 -8.790 -3.180 1.00 0.51 H new ATOM 0 HG22 VAL A 36 2.864 -9.808 -2.907 1.00 0.51 H new ATOM 0 HG23 VAL A 36 2.309 -8.693 -1.635 1.00 0.51 H new ATOM 577 N ASP A 37 6.571 -8.332 -4.034 1.00 0.54 N ATOM 578 CA ASP A 37 7.715 -8.002 -4.941 1.00 0.64 C ATOM 579 C ASP A 37 7.350 -8.500 -6.342 1.00 0.63 C ATOM 580 O ASP A 37 7.058 -9.671 -6.530 1.00 0.91 O ATOM 581 CB ASP A 37 8.991 -8.711 -4.450 1.00 0.69 C ATOM 582 CG ASP A 37 10.213 -8.234 -5.235 1.00 0.93 C ATOM 583 OD1 ASP A 37 10.119 -8.231 -6.449 1.00 1.65 O ATOM 584 OD2 ASP A 37 11.201 -7.947 -4.583 1.00 2.41 O ATOM 0 H ASP A 37 6.433 -9.327 -3.860 1.00 0.54 H new ATOM 0 HA ASP A 37 7.901 -6.928 -4.951 1.00 0.64 H new ATOM 0 HB2 ASP A 37 9.136 -8.514 -3.388 1.00 0.69 H new ATOM 0 HB3 ASP A 37 8.879 -9.789 -4.562 1.00 0.69 H new ATOM 589 N ILE A 38 7.335 -7.607 -7.284 1.00 0.75 N ATOM 590 CA ILE A 38 6.979 -8.002 -8.672 1.00 0.81 C ATOM 591 C ILE A 38 7.666 -9.304 -9.143 1.00 0.75 C ATOM 592 O ILE A 38 7.070 -10.048 -9.906 1.00 0.91 O ATOM 593 CB ILE A 38 7.284 -6.838 -9.631 1.00 1.07 C ATOM 594 CG1 ILE A 38 8.743 -6.402 -9.477 1.00 1.28 C ATOM 595 CG2 ILE A 38 6.352 -5.655 -9.301 1.00 1.20 C ATOM 596 CD1 ILE A 38 9.131 -5.491 -10.657 1.00 1.53 C ATOM 0 H ILE A 38 7.554 -6.619 -7.155 1.00 0.75 H new ATOM 0 HA ILE A 38 5.911 -8.220 -8.679 1.00 0.81 H new ATOM 0 HB ILE A 38 7.119 -7.162 -10.659 1.00 1.07 H new ATOM 0 HG12 ILE A 38 8.878 -5.872 -8.534 1.00 1.28 H new ATOM 0 HG13 ILE A 38 9.394 -7.276 -9.448 1.00 1.28 H new ATOM 0 HG21 ILE A 38 6.563 -4.826 -9.977 1.00 1.20 H new ATOM 0 HG22 ILE A 38 5.314 -5.965 -9.420 1.00 1.20 H new ATOM 0 HG23 ILE A 38 6.520 -5.336 -8.272 1.00 1.20 H new ATOM 0 HD11 ILE A 38 10.170 -5.179 -10.550 1.00 1.53 H new ATOM 0 HD12 ILE A 38 9.011 -6.037 -11.593 1.00 1.53 H new ATOM 0 HD13 ILE A 38 8.487 -4.612 -10.665 1.00 1.53 H new ATOM 608 N ARG A 39 8.865 -9.606 -8.672 1.00 0.81 N ATOM 609 CA ARG A 39 9.523 -10.874 -9.160 1.00 1.01 C ATOM 610 C ARG A 39 9.300 -12.053 -8.186 1.00 1.02 C ATOM 611 O ARG A 39 9.995 -13.048 -8.230 1.00 1.37 O ATOM 612 CB ARG A 39 11.027 -10.622 -9.364 1.00 1.24 C ATOM 613 CG ARG A 39 11.721 -10.418 -8.009 1.00 2.33 C ATOM 614 CD ARG A 39 12.636 -11.625 -7.716 1.00 3.24 C ATOM 615 NE ARG A 39 12.958 -11.719 -6.251 1.00 3.99 N ATOM 616 CZ ARG A 39 12.264 -11.050 -5.386 1.00 4.55 C ATOM 617 NH1 ARG A 39 11.086 -11.485 -5.040 1.00 5.54 N ATOM 618 NH2 ARG A 39 12.781 -9.956 -4.931 1.00 4.88 N ATOM 0 H ARG A 39 9.397 -9.055 -7.999 1.00 0.81 H new ATOM 0 HA ARG A 39 9.064 -11.152 -10.109 1.00 1.01 H new ATOM 0 HB2 ARG A 39 11.477 -11.466 -9.887 1.00 1.24 H new ATOM 0 HB3 ARG A 39 11.174 -9.743 -9.992 1.00 1.24 H new ATOM 0 HG2 ARG A 39 12.306 -9.499 -8.022 1.00 2.33 H new ATOM 0 HG3 ARG A 39 10.977 -10.311 -7.219 1.00 2.33 H new ATOM 0 HD2 ARG A 39 12.148 -12.543 -8.043 1.00 3.24 H new ATOM 0 HD3 ARG A 39 13.559 -11.533 -8.289 1.00 3.24 H new ATOM 0 HE ARG A 39 13.726 -12.312 -5.937 1.00 3.99 H new ATOM 0 HH11 ARG A 39 10.719 -12.344 -5.449 1.00 5.54 H new ATOM 0 HH12 ARG A 39 10.530 -10.966 -4.360 1.00 5.54 H new ATOM 0 HH21 ARG A 39 13.699 -9.653 -5.255 1.00 4.88 H new ATOM 0 HH22 ARG A 39 12.271 -9.396 -4.248 1.00 4.88 H new ATOM 632 N ALA A 40 8.334 -11.916 -7.329 1.00 1.15 N ATOM 633 CA ALA A 40 7.988 -13.002 -6.362 1.00 1.31 C ATOM 634 C ALA A 40 6.703 -13.645 -6.883 1.00 1.35 C ATOM 635 O ALA A 40 6.549 -14.855 -6.874 1.00 1.58 O ATOM 636 CB ALA A 40 7.735 -12.396 -4.980 1.00 1.34 C ATOM 0 H ALA A 40 7.754 -11.081 -7.252 1.00 1.15 H new ATOM 0 HA ALA A 40 8.793 -13.732 -6.274 1.00 1.31 H new ATOM 0 HB1 ALA A 40 7.483 -13.189 -4.276 1.00 1.34 H new ATOM 0 HB2 ALA A 40 8.633 -11.880 -4.639 1.00 1.34 H new ATOM 0 HB3 ALA A 40 6.909 -11.687 -5.039 1.00 1.34 H new ATOM 642 N GLU A 41 5.822 -12.780 -7.326 1.00 1.19 N ATOM 643 CA GLU A 41 4.520 -13.242 -7.892 1.00 1.33 C ATOM 644 C GLU A 41 4.726 -13.632 -9.364 1.00 1.31 C ATOM 645 O GLU A 41 4.169 -14.604 -9.840 1.00 1.54 O ATOM 646 CB GLU A 41 3.485 -12.102 -7.796 1.00 1.30 C ATOM 647 CG GLU A 41 2.806 -12.103 -6.413 1.00 1.68 C ATOM 648 CD GLU A 41 1.883 -10.876 -6.262 1.00 2.49 C ATOM 649 OE1 GLU A 41 1.159 -10.611 -7.207 1.00 3.47 O ATOM 650 OE2 GLU A 41 1.934 -10.287 -5.204 1.00 3.13 O ATOM 0 H GLU A 41 5.952 -11.768 -7.319 1.00 1.19 H new ATOM 0 HA GLU A 41 4.157 -14.104 -7.332 1.00 1.33 H new ATOM 0 HB2 GLU A 41 3.975 -11.143 -7.966 1.00 1.30 H new ATOM 0 HB3 GLU A 41 2.733 -12.219 -8.577 1.00 1.30 H new ATOM 0 HG2 GLU A 41 2.228 -13.018 -6.286 1.00 1.68 H new ATOM 0 HG3 GLU A 41 3.564 -12.094 -5.630 1.00 1.68 H new ATOM 657 N GLY A 42 5.525 -12.850 -10.055 1.00 1.19 N ATOM 658 CA GLY A 42 5.794 -13.137 -11.501 1.00 1.25 C ATOM 659 C GLY A 42 5.141 -12.058 -12.359 1.00 1.23 C ATOM 660 O GLY A 42 4.466 -12.340 -13.331 1.00 1.46 O ATOM 0 H GLY A 42 6.000 -12.029 -9.681 1.00 1.19 H new ATOM 0 HA2 GLY A 42 6.868 -13.163 -11.685 1.00 1.25 H new ATOM 0 HA3 GLY A 42 5.401 -14.118 -11.768 1.00 1.25 H new ATOM 664 N ILE A 43 5.413 -10.839 -11.998 1.00 1.10 N ATOM 665 CA ILE A 43 4.817 -9.692 -12.734 1.00 1.33 C ATOM 666 C ILE A 43 5.845 -9.039 -13.666 1.00 1.43 C ATOM 667 O ILE A 43 7.041 -9.166 -13.487 1.00 1.42 O ATOM 668 CB ILE A 43 4.301 -8.707 -11.670 1.00 1.41 C ATOM 669 CG1 ILE A 43 3.254 -9.455 -10.824 1.00 1.40 C ATOM 670 CG2 ILE A 43 3.647 -7.486 -12.333 1.00 1.90 C ATOM 671 CD1 ILE A 43 2.880 -8.646 -9.582 1.00 1.68 C ATOM 0 H ILE A 43 6.025 -10.585 -11.222 1.00 1.10 H new ATOM 0 HA ILE A 43 4.000 -10.019 -13.377 1.00 1.33 H new ATOM 0 HB ILE A 43 5.128 -8.352 -11.054 1.00 1.41 H new ATOM 0 HG12 ILE A 43 2.363 -9.643 -11.423 1.00 1.40 H new ATOM 0 HG13 ILE A 43 3.648 -10.427 -10.526 1.00 1.40 H new ATOM 0 HG21 ILE A 43 3.289 -6.802 -11.563 1.00 1.90 H new ATOM 0 HG22 ILE A 43 4.379 -6.976 -12.959 1.00 1.90 H new ATOM 0 HG23 ILE A 43 2.808 -7.812 -12.948 1.00 1.90 H new ATOM 0 HD11 ILE A 43 2.139 -9.194 -9.000 1.00 1.68 H new ATOM 0 HD12 ILE A 43 3.769 -8.481 -8.974 1.00 1.68 H new ATOM 0 HD13 ILE A 43 2.464 -7.685 -9.885 1.00 1.68 H new ATOM 683 N THR A 44 5.331 -8.321 -14.621 1.00 1.71 N ATOM 684 CA THR A 44 6.187 -7.639 -15.634 1.00 1.88 C ATOM 685 C THR A 44 6.108 -6.113 -15.478 1.00 2.40 C ATOM 686 O THR A 44 5.809 -5.613 -14.414 1.00 3.01 O ATOM 687 CB THR A 44 5.645 -8.048 -17.005 1.00 1.90 C ATOM 688 OG1 THR A 44 4.261 -7.662 -16.976 1.00 2.25 O ATOM 689 CG2 THR A 44 5.654 -9.573 -17.148 1.00 1.78 C ATOM 0 H THR A 44 4.330 -8.173 -14.747 1.00 1.71 H new ATOM 0 HA THR A 44 7.231 -7.926 -15.511 1.00 1.88 H new ATOM 0 HB THR A 44 6.232 -7.600 -17.807 1.00 1.90 H new ATOM 0 HG1 THR A 44 3.769 -8.157 -17.664 1.00 2.25 H new ATOM 0 HG21 THR A 44 5.266 -9.849 -18.128 1.00 1.78 H new ATOM 0 HG22 THR A 44 6.674 -9.942 -17.045 1.00 1.78 H new ATOM 0 HG23 THR A 44 5.028 -10.015 -16.373 1.00 1.78 H new ATOM 697 N LYS A 45 6.434 -5.411 -16.539 1.00 2.61 N ATOM 698 CA LYS A 45 6.363 -3.919 -16.539 1.00 3.18 C ATOM 699 C LYS A 45 5.261 -3.534 -17.543 1.00 3.61 C ATOM 700 O LYS A 45 5.125 -2.378 -17.930 1.00 4.62 O ATOM 701 CB LYS A 45 7.720 -3.371 -17.024 1.00 3.71 C ATOM 702 CG LYS A 45 7.788 -1.843 -16.844 1.00 4.21 C ATOM 703 CD LYS A 45 8.801 -1.218 -17.826 1.00 5.04 C ATOM 704 CE LYS A 45 8.480 -1.553 -19.299 1.00 5.43 C ATOM 705 NZ LYS A 45 7.010 -1.564 -19.588 1.00 5.34 N ATOM 0 H LYS A 45 6.751 -5.819 -17.418 1.00 2.61 H new ATOM 0 HA LYS A 45 6.146 -3.516 -15.550 1.00 3.18 H new ATOM 0 HB2 LYS A 45 8.529 -3.844 -16.467 1.00 3.71 H new ATOM 0 HB3 LYS A 45 7.866 -3.625 -18.074 1.00 3.71 H new ATOM 0 HG2 LYS A 45 6.802 -1.409 -17.008 1.00 4.21 H new ATOM 0 HG3 LYS A 45 8.075 -1.606 -15.819 1.00 4.21 H new ATOM 0 HD2 LYS A 45 8.808 -0.136 -17.696 1.00 5.04 H new ATOM 0 HD3 LYS A 45 9.803 -1.574 -17.586 1.00 5.04 H new ATOM 0 HE2 LYS A 45 8.967 -0.824 -19.946 1.00 5.43 H new ATOM 0 HE3 LYS A 45 8.901 -2.528 -19.544 1.00 5.43 H new ATOM 0 HZ1 LYS A 45 6.772 -2.411 -20.143 1.00 5.34 H new ATOM 0 HZ2 LYS A 45 6.480 -1.576 -18.693 1.00 5.34 H new ATOM 0 HZ3 LYS A 45 6.756 -0.713 -20.129 1.00 5.34 H new ATOM 719 N GLU A 46 4.502 -4.530 -17.930 1.00 3.04 N ATOM 720 CA GLU A 46 3.410 -4.328 -18.923 1.00 3.44 C ATOM 721 C GLU A 46 2.066 -4.689 -18.289 1.00 3.24 C ATOM 722 O GLU A 46 1.139 -3.908 -18.360 1.00 3.51 O ATOM 723 CB GLU A 46 3.662 -5.211 -20.166 1.00 3.68 C ATOM 724 CG GLU A 46 4.907 -6.105 -19.974 1.00 3.56 C ATOM 725 CD GLU A 46 6.201 -5.271 -19.853 1.00 4.07 C ATOM 726 OE1 GLU A 46 6.219 -4.161 -20.368 1.00 4.52 O ATOM 727 OE2 GLU A 46 7.104 -5.782 -19.220 1.00 4.78 O ATOM 0 H GLU A 46 4.597 -5.488 -17.592 1.00 3.04 H new ATOM 0 HA GLU A 46 3.391 -3.282 -19.230 1.00 3.44 H new ATOM 0 HB2 GLU A 46 2.789 -5.835 -20.355 1.00 3.68 H new ATOM 0 HB3 GLU A 46 3.797 -4.578 -21.043 1.00 3.68 H new ATOM 0 HG2 GLU A 46 4.782 -6.714 -19.078 1.00 3.56 H new ATOM 0 HG3 GLU A 46 4.995 -6.791 -20.816 1.00 3.56 H new ATOM 734 N ASP A 47 1.990 -5.854 -17.676 1.00 2.86 N ATOM 735 CA ASP A 47 0.711 -6.271 -17.022 1.00 2.81 C ATOM 736 C ASP A 47 0.344 -5.206 -15.983 1.00 2.73 C ATOM 737 O ASP A 47 -0.780 -4.771 -15.899 1.00 2.97 O ATOM 738 CB ASP A 47 0.931 -7.642 -16.353 1.00 2.44 C ATOM 739 CG ASP A 47 -0.385 -8.279 -15.883 1.00 2.72 C ATOM 740 OD1 ASP A 47 -1.427 -7.854 -16.365 1.00 3.83 O ATOM 741 OD2 ASP A 47 -0.284 -9.165 -15.056 1.00 2.83 O ATOM 0 H ASP A 47 2.755 -6.525 -17.603 1.00 2.86 H new ATOM 0 HA ASP A 47 -0.100 -6.361 -17.744 1.00 2.81 H new ATOM 0 HB2 ASP A 47 1.425 -8.312 -17.056 1.00 2.44 H new ATOM 0 HB3 ASP A 47 1.600 -7.525 -15.501 1.00 2.44 H new ATOM 746 N LEU A 48 1.333 -4.808 -15.217 1.00 2.48 N ATOM 747 CA LEU A 48 1.120 -3.751 -14.173 1.00 2.50 C ATOM 748 C LEU A 48 0.249 -2.624 -14.724 1.00 2.73 C ATOM 749 O LEU A 48 -0.698 -2.203 -14.094 1.00 2.80 O ATOM 750 CB LEU A 48 2.483 -3.213 -13.720 1.00 2.46 C ATOM 751 CG LEU A 48 3.091 -4.165 -12.674 1.00 2.23 C ATOM 752 CD1 LEU A 48 4.498 -3.672 -12.339 1.00 2.26 C ATOM 753 CD2 LEU A 48 2.251 -4.173 -11.373 1.00 2.15 C ATOM 0 H LEU A 48 2.285 -5.172 -15.270 1.00 2.48 H new ATOM 0 HA LEU A 48 0.602 -4.183 -13.317 1.00 2.50 H new ATOM 0 HB2 LEU A 48 3.152 -3.121 -14.576 1.00 2.46 H new ATOM 0 HB3 LEU A 48 2.369 -2.215 -13.296 1.00 2.46 H new ATOM 0 HG LEU A 48 3.109 -5.175 -13.084 1.00 2.23 H new ATOM 0 HD11 LEU A 48 4.948 -4.333 -11.598 1.00 2.26 H new ATOM 0 HD12 LEU A 48 5.108 -3.670 -13.243 1.00 2.26 H new ATOM 0 HD13 LEU A 48 4.443 -2.660 -11.937 1.00 2.26 H new ATOM 0 HD21 LEU A 48 2.703 -4.854 -10.652 1.00 2.15 H new ATOM 0 HD22 LEU A 48 2.221 -3.168 -10.953 1.00 2.15 H new ATOM 0 HD23 LEU A 48 1.237 -4.503 -11.597 1.00 2.15 H new ATOM 765 N GLN A 49 0.594 -2.168 -15.894 1.00 2.90 N ATOM 766 CA GLN A 49 -0.208 -1.079 -16.532 1.00 3.17 C ATOM 767 C GLN A 49 -1.698 -1.436 -16.418 1.00 3.22 C ATOM 768 O GLN A 49 -2.496 -0.643 -15.942 1.00 3.37 O ATOM 769 CB GLN A 49 0.216 -0.956 -18.006 1.00 3.33 C ATOM 770 CG GLN A 49 -0.233 0.397 -18.574 1.00 3.34 C ATOM 771 CD GLN A 49 -1.436 0.229 -19.519 1.00 3.43 C ATOM 772 OE1 GLN A 49 -2.388 -0.478 -19.250 1.00 3.62 O ATOM 773 NE2 GLN A 49 -1.448 0.891 -20.637 1.00 4.50 N ATOM 0 H GLN A 49 1.392 -2.498 -16.437 1.00 2.90 H new ATOM 0 HA GLN A 49 -0.037 -0.124 -16.036 1.00 3.17 H new ATOM 0 HB2 GLN A 49 1.298 -1.053 -18.090 1.00 3.33 H new ATOM 0 HB3 GLN A 49 -0.223 -1.767 -18.587 1.00 3.33 H new ATOM 0 HG2 GLN A 49 -0.499 1.068 -17.757 1.00 3.34 H new ATOM 0 HG3 GLN A 49 0.594 0.862 -19.111 1.00 3.34 H new ATOM 0 HE21 GLN A 49 -0.660 1.490 -20.883 1.00 4.50 H new ATOM 0 HE22 GLN A 49 -2.245 0.811 -21.268 1.00 4.50 H new ATOM 782 N GLN A 50 -2.005 -2.655 -16.797 1.00 3.13 N ATOM 783 CA GLN A 50 -3.415 -3.159 -16.741 1.00 3.23 C ATOM 784 C GLN A 50 -3.840 -3.445 -15.292 1.00 3.01 C ATOM 785 O GLN A 50 -4.970 -3.202 -14.925 1.00 3.06 O ATOM 786 CB GLN A 50 -3.510 -4.461 -17.560 1.00 3.35 C ATOM 787 CG GLN A 50 -3.597 -4.151 -19.061 1.00 4.64 C ATOM 788 CD GLN A 50 -5.034 -3.754 -19.414 1.00 5.54 C ATOM 789 OE1 GLN A 50 -5.937 -4.561 -19.380 1.00 5.40 O ATOM 790 NE2 GLN A 50 -5.291 -2.524 -19.732 1.00 7.16 N ATOM 0 H GLN A 50 -1.327 -3.332 -17.148 1.00 3.13 H new ATOM 0 HA GLN A 50 -4.077 -2.396 -17.152 1.00 3.23 H new ATOM 0 HB2 GLN A 50 -2.639 -5.086 -17.362 1.00 3.35 H new ATOM 0 HB3 GLN A 50 -4.387 -5.029 -17.249 1.00 3.35 H new ATOM 0 HG2 GLN A 50 -2.911 -3.344 -19.318 1.00 4.64 H new ATOM 0 HG3 GLN A 50 -3.295 -5.022 -19.642 1.00 4.64 H new ATOM 0 HE21 GLN A 50 -4.537 -1.837 -19.763 1.00 7.16 H new ATOM 0 HE22 GLN A 50 -6.247 -2.243 -19.951 1.00 7.16 H new ATOM 799 N LYS A 51 -2.944 -4.011 -14.526 1.00 2.82 N ATOM 800 CA LYS A 51 -3.244 -4.332 -13.101 1.00 2.76 C ATOM 801 C LYS A 51 -3.737 -3.073 -12.387 1.00 2.43 C ATOM 802 O LYS A 51 -4.713 -3.110 -11.669 1.00 2.20 O ATOM 803 CB LYS A 51 -1.964 -4.824 -12.406 1.00 3.06 C ATOM 804 CG LYS A 51 -1.309 -6.008 -13.152 1.00 4.35 C ATOM 805 CD LYS A 51 -1.720 -7.349 -12.533 1.00 3.68 C ATOM 806 CE LYS A 51 -3.153 -7.687 -12.923 1.00 3.77 C ATOM 807 NZ LYS A 51 -3.279 -7.714 -14.412 1.00 4.91 N ATOM 0 H LYS A 51 -2.005 -4.267 -14.832 1.00 2.82 H new ATOM 0 HA LYS A 51 -4.010 -5.106 -13.062 1.00 2.76 H new ATOM 0 HB2 LYS A 51 -1.252 -4.002 -12.338 1.00 3.06 H new ATOM 0 HB3 LYS A 51 -2.201 -5.126 -11.386 1.00 3.06 H new ATOM 0 HG2 LYS A 51 -1.600 -5.985 -14.202 1.00 4.35 H new ATOM 0 HG3 LYS A 51 -0.224 -5.907 -13.119 1.00 4.35 H new ATOM 0 HD2 LYS A 51 -1.047 -8.137 -12.872 1.00 3.68 H new ATOM 0 HD3 LYS A 51 -1.632 -7.300 -11.448 1.00 3.68 H new ATOM 0 HE2 LYS A 51 -3.434 -8.655 -12.507 1.00 3.77 H new ATOM 0 HE3 LYS A 51 -3.837 -6.949 -12.504 1.00 3.77 H new ATOM 0 HZ1 LYS A 51 -3.887 -6.930 -14.723 1.00 4.91 H new ATOM 0 HZ2 LYS A 51 -2.337 -7.614 -14.842 1.00 4.91 H new ATOM 0 HZ3 LYS A 51 -3.700 -8.617 -14.708 1.00 4.91 H new ATOM 821 N ALA A 52 -3.014 -2.002 -12.584 1.00 2.59 N ATOM 822 CA ALA A 52 -3.383 -0.710 -11.960 1.00 2.43 C ATOM 823 C ALA A 52 -4.556 -0.085 -12.709 1.00 2.37 C ATOM 824 O ALA A 52 -5.520 0.351 -12.099 1.00 2.32 O ATOM 825 CB ALA A 52 -2.179 0.222 -12.037 1.00 2.52 C ATOM 0 H ALA A 52 -2.173 -1.974 -13.160 1.00 2.59 H new ATOM 0 HA ALA A 52 -3.674 -0.871 -10.922 1.00 2.43 H new ATOM 0 HB1 ALA A 52 -2.431 1.180 -11.582 1.00 2.52 H new ATOM 0 HB2 ALA A 52 -1.339 -0.223 -11.503 1.00 2.52 H new ATOM 0 HB3 ALA A 52 -1.905 0.377 -13.081 1.00 2.52 H new ATOM 831 N GLY A 53 -4.441 -0.014 -14.012 1.00 2.54 N ATOM 832 CA GLY A 53 -5.554 0.584 -14.812 1.00 2.57 C ATOM 833 C GLY A 53 -5.324 2.083 -14.971 1.00 2.73 C ATOM 834 O GLY A 53 -6.224 2.825 -15.302 1.00 3.00 O ATOM 0 H GLY A 53 -3.638 -0.339 -14.550 1.00 2.54 H new ATOM 0 HA2 GLY A 53 -5.607 0.108 -15.791 1.00 2.57 H new ATOM 0 HA3 GLY A 53 -6.508 0.403 -14.317 1.00 2.57 H new ATOM 838 N LYS A 54 -4.118 2.490 -14.708 1.00 2.85 N ATOM 839 CA LYS A 54 -3.763 3.922 -14.824 1.00 3.12 C ATOM 840 C LYS A 54 -2.639 4.065 -15.856 1.00 3.21 C ATOM 841 O LYS A 54 -1.489 4.228 -15.504 1.00 4.05 O ATOM 842 CB LYS A 54 -3.276 4.410 -13.462 1.00 3.68 C ATOM 843 CG LYS A 54 -3.265 5.940 -13.455 1.00 4.58 C ATOM 844 CD LYS A 54 -2.270 6.451 -12.404 1.00 5.39 C ATOM 845 CE LYS A 54 -2.655 5.931 -11.015 1.00 5.36 C ATOM 846 NZ LYS A 54 -1.439 5.529 -10.256 1.00 6.04 N ATOM 0 H LYS A 54 -3.355 1.881 -14.414 1.00 2.85 H new ATOM 0 HA LYS A 54 -4.625 4.510 -15.139 1.00 3.12 H new ATOM 0 HB2 LYS A 54 -3.927 4.035 -12.673 1.00 3.68 H new ATOM 0 HB3 LYS A 54 -2.276 4.026 -13.260 1.00 3.68 H new ATOM 0 HG2 LYS A 54 -2.990 6.315 -14.441 1.00 4.58 H new ATOM 0 HG3 LYS A 54 -4.264 6.318 -13.237 1.00 4.58 H new ATOM 0 HD2 LYS A 54 -1.262 6.123 -12.657 1.00 5.39 H new ATOM 0 HD3 LYS A 54 -2.259 7.541 -12.402 1.00 5.39 H new ATOM 0 HE2 LYS A 54 -3.195 6.704 -10.467 1.00 5.36 H new ATOM 0 HE3 LYS A 54 -3.329 5.080 -11.112 1.00 5.36 H new ATOM 0 HZ1 LYS A 54 -1.435 4.497 -10.128 1.00 6.04 H new ATOM 0 HZ2 LYS A 54 -0.590 5.816 -10.784 1.00 6.04 H new ATOM 0 HZ3 LYS A 54 -1.441 5.993 -9.325 1.00 6.04 H new ATOM 860 N PRO A 55 -2.986 3.993 -17.116 1.00 2.95 N ATOM 861 CA PRO A 55 -2.314 3.070 -18.053 1.00 2.84 C ATOM 862 C PRO A 55 -0.980 3.628 -18.573 1.00 2.82 C ATOM 863 O PRO A 55 -0.480 3.206 -19.603 1.00 3.65 O ATOM 864 CB PRO A 55 -3.341 2.893 -19.181 1.00 3.85 C ATOM 865 CG PRO A 55 -4.326 4.084 -19.082 1.00 4.20 C ATOM 866 CD PRO A 55 -4.110 4.749 -17.709 1.00 3.65 C ATOM 0 HA PRO A 55 -2.038 2.128 -17.580 1.00 2.84 H new ATOM 0 HB2 PRO A 55 -2.848 2.879 -20.153 1.00 3.85 H new ATOM 0 HB3 PRO A 55 -3.869 1.945 -19.077 1.00 3.85 H new ATOM 0 HG2 PRO A 55 -4.147 4.798 -19.886 1.00 4.20 H new ATOM 0 HG3 PRO A 55 -5.355 3.740 -19.184 1.00 4.20 H new ATOM 0 HD2 PRO A 55 -3.869 5.807 -17.812 1.00 3.65 H new ATOM 0 HD3 PRO A 55 -5.005 4.685 -17.090 1.00 3.65 H new ATOM 874 N VAL A 56 -0.439 4.529 -17.812 1.00 2.88 N ATOM 875 CA VAL A 56 0.855 5.188 -18.152 1.00 3.41 C ATOM 876 C VAL A 56 1.862 5.117 -16.977 1.00 3.09 C ATOM 877 O VAL A 56 3.039 5.386 -17.174 1.00 4.18 O ATOM 878 CB VAL A 56 0.536 6.656 -18.515 1.00 4.69 C ATOM 879 CG1 VAL A 56 -0.065 7.378 -17.295 1.00 5.42 C ATOM 880 CG2 VAL A 56 1.807 7.395 -18.967 1.00 5.96 C ATOM 0 H VAL A 56 -0.852 4.850 -16.936 1.00 2.88 H new ATOM 0 HA VAL A 56 1.327 4.673 -18.989 1.00 3.41 H new ATOM 0 HB VAL A 56 -0.182 6.657 -19.335 1.00 4.69 H new ATOM 0 HG11 VAL A 56 -0.288 8.412 -17.558 1.00 5.42 H new ATOM 0 HG12 VAL A 56 -0.983 6.875 -16.991 1.00 5.42 H new ATOM 0 HG13 VAL A 56 0.650 7.358 -16.472 1.00 5.42 H new ATOM 0 HG21 VAL A 56 1.559 8.426 -19.217 1.00 5.96 H new ATOM 0 HG22 VAL A 56 2.540 7.384 -18.161 1.00 5.96 H new ATOM 0 HG23 VAL A 56 2.224 6.899 -19.844 1.00 5.96 H new ATOM 890 N GLU A 57 1.417 4.739 -15.789 1.00 2.46 N ATOM 891 CA GLU A 57 2.382 4.697 -14.634 1.00 2.90 C ATOM 892 C GLU A 57 3.134 3.360 -14.538 1.00 2.23 C ATOM 893 O GLU A 57 2.890 2.440 -15.294 1.00 2.59 O ATOM 894 CB GLU A 57 1.625 4.922 -13.315 1.00 4.14 C ATOM 895 CG GLU A 57 0.604 3.786 -13.099 1.00 4.52 C ATOM 896 CD GLU A 57 0.092 3.748 -11.655 1.00 5.45 C ATOM 897 OE1 GLU A 57 0.727 4.348 -10.819 1.00 6.08 O ATOM 898 OE2 GLU A 57 -0.924 3.104 -11.456 1.00 6.13 O ATOM 0 H GLU A 57 0.457 4.466 -15.576 1.00 2.46 H new ATOM 0 HA GLU A 57 3.113 5.487 -14.808 1.00 2.90 H new ATOM 0 HB2 GLU A 57 2.328 4.955 -12.483 1.00 4.14 H new ATOM 0 HB3 GLU A 57 1.113 5.884 -13.338 1.00 4.14 H new ATOM 0 HG2 GLU A 57 -0.237 3.919 -13.779 1.00 4.52 H new ATOM 0 HG3 GLU A 57 1.066 2.830 -13.346 1.00 4.52 H new ATOM 905 N THR A 58 4.060 3.310 -13.616 1.00 2.34 N ATOM 906 CA THR A 58 4.865 2.071 -13.413 1.00 2.75 C ATOM 907 C THR A 58 4.910 1.690 -11.924 1.00 2.27 C ATOM 908 O THR A 58 4.159 0.850 -11.472 1.00 2.37 O ATOM 909 CB THR A 58 6.283 2.342 -13.918 1.00 4.14 C ATOM 910 OG1 THR A 58 6.643 3.582 -13.307 1.00 4.71 O ATOM 911 CG2 THR A 58 6.306 2.606 -15.427 1.00 4.93 C ATOM 0 H THR A 58 4.294 4.081 -12.991 1.00 2.34 H new ATOM 0 HA THR A 58 4.412 1.244 -13.959 1.00 2.75 H new ATOM 0 HB THR A 58 6.931 1.494 -13.695 1.00 4.14 H new ATOM 0 HG1 THR A 58 7.546 3.512 -12.933 1.00 4.71 H new ATOM 0 HG21 THR A 58 7.331 2.794 -15.748 1.00 4.93 H new ATOM 0 HG22 THR A 58 5.915 1.736 -15.955 1.00 4.93 H new ATOM 0 HG23 THR A 58 5.689 3.476 -15.654 1.00 4.93 H new ATOM 919 N VAL A 59 5.770 2.356 -11.192 1.00 2.14 N ATOM 920 CA VAL A 59 5.910 2.069 -9.735 1.00 2.00 C ATOM 921 C VAL A 59 5.585 3.339 -8.929 1.00 1.96 C ATOM 922 O VAL A 59 5.796 4.442 -9.401 1.00 2.31 O ATOM 923 CB VAL A 59 7.366 1.640 -9.443 1.00 2.67 C ATOM 924 CG1 VAL A 59 7.515 1.158 -7.993 1.00 3.50 C ATOM 925 CG2 VAL A 59 7.769 0.499 -10.381 1.00 2.61 C ATOM 0 H VAL A 59 6.383 3.090 -11.546 1.00 2.14 H new ATOM 0 HA VAL A 59 5.224 1.271 -9.450 1.00 2.00 H new ATOM 0 HB VAL A 59 8.010 2.505 -9.601 1.00 2.67 H new ATOM 0 HG11 VAL A 59 8.548 0.862 -7.812 1.00 3.50 H new ATOM 0 HG12 VAL A 59 7.244 1.965 -7.312 1.00 3.50 H new ATOM 0 HG13 VAL A 59 6.858 0.305 -7.824 1.00 3.50 H new ATOM 0 HG21 VAL A 59 8.796 0.201 -10.171 1.00 2.61 H new ATOM 0 HG22 VAL A 59 7.105 -0.351 -10.226 1.00 2.61 H new ATOM 0 HG23 VAL A 59 7.693 0.834 -11.415 1.00 2.61 H new ATOM 935 N PRO A 60 5.105 3.167 -7.712 1.00 1.90 N ATOM 936 CA PRO A 60 4.501 1.911 -7.211 1.00 1.73 C ATOM 937 C PRO A 60 3.014 1.860 -7.519 1.00 1.33 C ATOM 938 O PRO A 60 2.413 2.836 -7.912 1.00 1.35 O ATOM 939 CB PRO A 60 4.702 1.977 -5.699 1.00 2.12 C ATOM 940 CG PRO A 60 4.825 3.480 -5.362 1.00 2.46 C ATOM 941 CD PRO A 60 5.219 4.205 -6.669 1.00 2.28 C ATOM 0 HA PRO A 60 4.951 1.032 -7.672 1.00 1.73 H new ATOM 0 HB2 PRO A 60 3.862 1.524 -5.172 1.00 2.12 H new ATOM 0 HB3 PRO A 60 5.598 1.433 -5.398 1.00 2.12 H new ATOM 0 HG2 PRO A 60 3.882 3.867 -4.975 1.00 2.46 H new ATOM 0 HG3 PRO A 60 5.577 3.642 -4.589 1.00 2.46 H new ATOM 0 HD2 PRO A 60 4.557 5.047 -6.872 1.00 2.28 H new ATOM 0 HD3 PRO A 60 6.232 4.603 -6.613 1.00 2.28 H new ATOM 949 N GLN A 61 2.470 0.707 -7.324 1.00 1.07 N ATOM 950 CA GLN A 61 1.018 0.519 -7.543 1.00 0.72 C ATOM 951 C GLN A 61 0.505 -0.203 -6.290 1.00 0.49 C ATOM 952 O GLN A 61 0.980 -1.284 -5.941 1.00 0.50 O ATOM 953 CB GLN A 61 0.798 -0.269 -8.848 1.00 0.87 C ATOM 954 CG GLN A 61 1.385 0.568 -10.008 1.00 1.37 C ATOM 955 CD GLN A 61 1.121 -0.094 -11.362 1.00 1.84 C ATOM 956 OE1 GLN A 61 1.375 -1.256 -11.542 1.00 2.77 O ATOM 957 NE2 GLN A 61 0.612 0.600 -12.343 1.00 2.65 N ATOM 0 H GLN A 61 2.972 -0.127 -7.018 1.00 1.07 H new ATOM 0 HA GLN A 61 0.469 1.452 -7.671 1.00 0.72 H new ATOM 0 HB2 GLN A 61 1.286 -1.242 -8.794 1.00 0.87 H new ATOM 0 HB3 GLN A 61 -0.264 -0.453 -9.009 1.00 0.87 H new ATOM 0 HG2 GLN A 61 0.946 1.566 -9.997 1.00 1.37 H new ATOM 0 HG3 GLN A 61 2.459 0.690 -9.864 1.00 1.37 H new ATOM 0 HE21 GLN A 61 0.390 1.586 -12.209 1.00 2.65 H new ATOM 0 HE22 GLN A 61 0.436 0.156 -13.244 1.00 2.65 H new ATOM 966 N ILE A 62 -0.375 0.464 -5.592 1.00 0.61 N ATOM 967 CA ILE A 62 -0.935 -0.093 -4.344 1.00 0.55 C ATOM 968 C ILE A 62 -2.408 -0.376 -4.551 1.00 0.54 C ATOM 969 O ILE A 62 -3.145 0.413 -5.140 1.00 0.74 O ATOM 970 CB ILE A 62 -0.777 0.917 -3.193 1.00 0.81 C ATOM 971 CG1 ILE A 62 0.704 1.233 -2.933 1.00 1.09 C ATOM 972 CG2 ILE A 62 -1.385 0.333 -1.914 1.00 0.89 C ATOM 973 CD1 ILE A 62 1.218 2.214 -3.988 1.00 0.98 C ATOM 0 H ILE A 62 -0.730 1.386 -5.845 1.00 0.61 H new ATOM 0 HA ILE A 62 -0.403 -1.010 -4.090 1.00 0.55 H new ATOM 0 HB ILE A 62 -1.290 1.836 -3.476 1.00 0.81 H new ATOM 0 HG12 ILE A 62 0.825 1.660 -1.937 1.00 1.09 H new ATOM 0 HG13 ILE A 62 1.291 0.315 -2.960 1.00 1.09 H new ATOM 0 HG21 ILE A 62 -1.273 1.048 -1.099 1.00 0.89 H new ATOM 0 HG22 ILE A 62 -2.443 0.128 -2.075 1.00 0.89 H new ATOM 0 HG23 ILE A 62 -0.871 -0.593 -1.657 1.00 0.89 H new ATOM 0 HD11 ILE A 62 2.269 2.434 -3.799 1.00 0.98 H new ATOM 0 HD12 ILE A 62 1.113 1.771 -4.978 1.00 0.98 H new ATOM 0 HD13 ILE A 62 0.639 3.136 -3.940 1.00 0.98 H new ATOM 985 N PHE A 63 -2.795 -1.459 -3.968 1.00 0.45 N ATOM 986 CA PHE A 63 -4.199 -1.923 -4.072 1.00 0.50 C ATOM 987 C PHE A 63 -4.797 -1.994 -2.671 1.00 0.51 C ATOM 988 O PHE A 63 -4.123 -2.445 -1.751 1.00 0.55 O ATOM 989 CB PHE A 63 -4.200 -3.324 -4.718 1.00 0.62 C ATOM 990 CG PHE A 63 -3.722 -3.258 -6.187 1.00 0.72 C ATOM 991 CD1 PHE A 63 -2.459 -2.793 -6.519 1.00 0.97 C ATOM 992 CD2 PHE A 63 -4.575 -3.653 -7.201 1.00 0.96 C ATOM 993 CE1 PHE A 63 -2.066 -2.718 -7.837 1.00 1.24 C ATOM 994 CE2 PHE A 63 -4.181 -3.572 -8.522 1.00 1.24 C ATOM 995 CZ PHE A 63 -2.929 -3.101 -8.840 1.00 1.31 C ATOM 0 H PHE A 63 -2.188 -2.059 -3.410 1.00 0.45 H new ATOM 0 HA PHE A 63 -4.790 -1.239 -4.680 1.00 0.50 H new ATOM 0 HB2 PHE A 63 -3.551 -3.990 -4.150 1.00 0.62 H new ATOM 0 HB3 PHE A 63 -5.204 -3.746 -4.677 1.00 0.62 H new ATOM 0 HD1 PHE A 63 -1.778 -2.487 -5.738 1.00 0.97 H new ATOM 0 HD2 PHE A 63 -5.558 -4.028 -6.958 1.00 0.96 H new ATOM 0 HE1 PHE A 63 -1.078 -2.358 -8.085 1.00 1.24 H new ATOM 0 HE2 PHE A 63 -4.857 -3.879 -9.306 1.00 1.24 H new ATOM 0 HZ PHE A 63 -2.623 -3.032 -9.873 1.00 1.31 H new ATOM 1005 N VAL A 64 -6.024 -1.556 -2.537 1.00 0.57 N ATOM 1006 CA VAL A 64 -6.669 -1.613 -1.199 1.00 0.72 C ATOM 1007 C VAL A 64 -7.867 -2.544 -1.277 1.00 0.93 C ATOM 1008 O VAL A 64 -8.732 -2.409 -2.150 1.00 1.22 O ATOM 1009 CB VAL A 64 -7.142 -0.222 -0.751 1.00 0.75 C ATOM 1010 CG1 VAL A 64 -7.817 -0.322 0.623 1.00 0.82 C ATOM 1011 CG2 VAL A 64 -5.936 0.716 -0.625 1.00 0.78 C ATOM 0 H VAL A 64 -6.596 -1.168 -3.287 1.00 0.57 H new ATOM 0 HA VAL A 64 -5.941 -1.977 -0.474 1.00 0.72 H new ATOM 0 HB VAL A 64 -7.846 0.164 -1.489 1.00 0.75 H new ATOM 0 HG11 VAL A 64 -8.151 0.667 0.937 1.00 0.82 H new ATOM 0 HG12 VAL A 64 -8.675 -0.991 0.559 1.00 0.82 H new ATOM 0 HG13 VAL A 64 -7.105 -0.713 1.350 1.00 0.82 H new ATOM 0 HG21 VAL A 64 -6.274 1.702 -0.307 1.00 0.78 H new ATOM 0 HG22 VAL A 64 -5.239 0.316 0.112 1.00 0.78 H new ATOM 0 HG23 VAL A 64 -5.436 0.797 -1.590 1.00 0.78 H new ATOM 1021 N ASP A 65 -7.873 -3.437 -0.321 1.00 1.03 N ATOM 1022 CA ASP A 65 -8.940 -4.467 -0.168 1.00 1.23 C ATOM 1023 C ASP A 65 -9.167 -5.303 -1.437 1.00 1.24 C ATOM 1024 O ASP A 65 -8.846 -6.476 -1.452 1.00 1.67 O ATOM 1025 CB ASP A 65 -10.235 -3.766 0.303 1.00 1.48 C ATOM 1026 CG ASP A 65 -9.994 -3.087 1.674 1.00 1.88 C ATOM 1027 OD1 ASP A 65 -9.271 -3.673 2.476 1.00 2.05 O ATOM 1028 OD2 ASP A 65 -10.540 -2.009 1.850 1.00 3.29 O ATOM 0 H ASP A 65 -7.146 -3.494 0.392 1.00 1.03 H new ATOM 0 HA ASP A 65 -8.616 -5.188 0.582 1.00 1.23 H new ATOM 0 HB2 ASP A 65 -10.545 -3.023 -0.432 1.00 1.48 H new ATOM 0 HB3 ASP A 65 -11.044 -4.492 0.383 1.00 1.48 H new ATOM 1033 N GLN A 66 -9.700 -4.716 -2.475 1.00 1.35 N ATOM 1034 CA GLN A 66 -9.943 -5.512 -3.723 1.00 1.48 C ATOM 1035 C GLN A 66 -9.440 -4.861 -5.022 1.00 1.35 C ATOM 1036 O GLN A 66 -9.071 -5.570 -5.934 1.00 1.70 O ATOM 1037 CB GLN A 66 -11.451 -5.776 -3.872 1.00 1.99 C ATOM 1038 CG GLN A 66 -11.930 -6.709 -2.751 1.00 2.73 C ATOM 1039 CD GLN A 66 -13.392 -7.096 -3.000 1.00 3.63 C ATOM 1040 OE1 GLN A 66 -13.733 -7.652 -4.020 1.00 4.13 O ATOM 1041 NE2 GLN A 66 -14.286 -6.828 -2.095 1.00 4.57 N ATOM 0 H GLN A 66 -9.976 -3.735 -2.518 1.00 1.35 H new ATOM 0 HA GLN A 66 -9.367 -6.429 -3.594 1.00 1.48 H new ATOM 0 HB2 GLN A 66 -12.000 -4.835 -3.833 1.00 1.99 H new ATOM 0 HB3 GLN A 66 -11.656 -6.225 -4.844 1.00 1.99 H new ATOM 0 HG2 GLN A 66 -11.307 -7.603 -2.716 1.00 2.73 H new ATOM 0 HG3 GLN A 66 -11.833 -6.214 -1.785 1.00 2.73 H new ATOM 0 HE21 GLN A 66 -14.013 -6.360 -1.231 1.00 4.57 H new ATOM 0 HE22 GLN A 66 -15.261 -7.086 -2.249 1.00 4.57 H new ATOM 1050 N GLN A 67 -9.437 -3.556 -5.106 1.00 1.29 N ATOM 1051 CA GLN A 67 -9.005 -2.905 -6.369 1.00 1.57 C ATOM 1052 C GLN A 67 -7.763 -2.029 -6.223 1.00 1.05 C ATOM 1053 O GLN A 67 -7.295 -1.758 -5.127 1.00 0.73 O ATOM 1054 CB GLN A 67 -10.156 -2.013 -6.830 1.00 2.31 C ATOM 1055 CG GLN A 67 -10.512 -0.983 -5.741 1.00 2.04 C ATOM 1056 CD GLN A 67 -11.616 -1.542 -4.842 1.00 2.66 C ATOM 1057 OE1 GLN A 67 -12.747 -1.673 -5.255 1.00 3.41 O ATOM 1058 NE2 GLN A 67 -11.345 -1.894 -3.616 1.00 3.46 N ATOM 0 H GLN A 67 -9.714 -2.920 -4.358 1.00 1.29 H new ATOM 0 HA GLN A 67 -8.751 -3.695 -7.076 1.00 1.57 H new ATOM 0 HB2 GLN A 67 -9.878 -1.497 -7.749 1.00 2.31 H new ATOM 0 HB3 GLN A 67 -11.029 -2.625 -7.059 1.00 2.31 H new ATOM 0 HG2 GLN A 67 -9.629 -0.749 -5.146 1.00 2.04 H new ATOM 0 HG3 GLN A 67 -10.842 -0.052 -6.202 1.00 2.04 H new ATOM 0 HE21 GLN A 67 -10.397 -1.790 -3.253 1.00 3.46 H new ATOM 0 HE22 GLN A 67 -12.081 -2.273 -3.020 1.00 3.46 H new ATOM 1067 N HIS A 68 -7.279 -1.586 -7.358 1.00 1.25 N ATOM 1068 CA HIS A 68 -6.096 -0.681 -7.362 1.00 0.97 C ATOM 1069 C HIS A 68 -6.611 0.670 -6.873 1.00 0.63 C ATOM 1070 O HIS A 68 -7.751 1.007 -7.129 1.00 0.82 O ATOM 1071 CB HIS A 68 -5.557 -0.506 -8.792 1.00 1.37 C ATOM 1072 CG HIS A 68 -4.479 0.583 -8.917 1.00 1.42 C ATOM 1073 ND1 HIS A 68 -4.500 1.462 -9.886 1.00 1.54 N ATOM 1074 CD2 HIS A 68 -3.369 0.864 -8.162 1.00 1.65 C ATOM 1075 CE1 HIS A 68 -3.467 2.259 -9.750 1.00 1.71 C ATOM 1076 NE2 HIS A 68 -2.781 1.889 -8.698 1.00 1.84 N ATOM 0 H HIS A 68 -7.654 -1.814 -8.279 1.00 1.25 H new ATOM 0 HA HIS A 68 -5.295 -1.082 -6.740 1.00 0.97 H new ATOM 0 HB2 HIS A 68 -5.144 -1.455 -9.134 1.00 1.37 H new ATOM 0 HB3 HIS A 68 -6.386 -0.262 -9.456 1.00 1.37 H new ATOM 0 HD1 HIS A 68 -5.202 1.518 -10.624 1.00 1.54 H new ATOM 0 HD2 HIS A 68 -3.044 0.330 -7.282 1.00 1.65 H new ATOM 0 HE1 HIS A 68 -3.222 3.086 -10.400 1.00 1.71 H new ATOM 1084 N ILE A 69 -5.795 1.410 -6.191 1.00 0.52 N ATOM 1085 CA ILE A 69 -6.270 2.741 -5.706 1.00 0.77 C ATOM 1086 C ILE A 69 -5.343 3.826 -6.254 1.00 1.02 C ATOM 1087 O ILE A 69 -5.733 4.962 -6.437 1.00 1.26 O ATOM 1088 CB ILE A 69 -6.290 2.729 -4.170 1.00 1.22 C ATOM 1089 CG1 ILE A 69 -7.151 1.558 -3.661 1.00 1.38 C ATOM 1090 CG2 ILE A 69 -6.872 4.042 -3.634 1.00 1.52 C ATOM 1091 CD1 ILE A 69 -8.617 1.679 -4.115 1.00 1.52 C ATOM 0 H ILE A 69 -4.835 1.165 -5.948 1.00 0.52 H new ATOM 0 HA ILE A 69 -7.280 2.950 -6.057 1.00 0.77 H new ATOM 0 HB ILE A 69 -5.265 2.614 -3.816 1.00 1.22 H new ATOM 0 HG12 ILE A 69 -6.736 0.618 -4.024 1.00 1.38 H new ATOM 0 HG13 ILE A 69 -7.110 1.525 -2.572 1.00 1.38 H new ATOM 0 HG21 ILE A 69 -6.880 4.019 -2.544 1.00 1.52 H new ATOM 0 HG22 ILE A 69 -6.260 4.877 -3.975 1.00 1.52 H new ATOM 0 HG23 ILE A 69 -7.891 4.165 -4.001 1.00 1.52 H new ATOM 0 HD11 ILE A 69 -9.187 0.832 -3.733 1.00 1.52 H new ATOM 0 HD12 ILE A 69 -9.042 2.606 -3.730 1.00 1.52 H new ATOM 0 HD13 ILE A 69 -8.661 1.685 -5.204 1.00 1.52 H new ATOM 1103 N GLY A 70 -4.112 3.455 -6.464 1.00 1.17 N ATOM 1104 CA GLY A 70 -3.123 4.425 -7.021 1.00 1.63 C ATOM 1105 C GLY A 70 -1.686 4.013 -6.682 1.00 1.33 C ATOM 1106 O GLY A 70 -1.454 2.944 -6.152 1.00 2.13 O ATOM 0 H GLY A 70 -3.745 2.522 -6.275 1.00 1.17 H new ATOM 0 HA2 GLY A 70 -3.240 4.486 -8.103 1.00 1.63 H new ATOM 0 HA3 GLY A 70 -3.322 5.420 -6.622 1.00 1.63 H new ATOM 1110 N GLY A 71 -0.762 4.886 -6.977 1.00 1.12 N ATOM 1111 CA GLY A 71 0.675 4.603 -6.698 1.00 1.14 C ATOM 1112 C GLY A 71 1.069 5.429 -5.482 1.00 1.02 C ATOM 1113 O GLY A 71 0.220 5.708 -4.658 1.00 1.56 O ATOM 0 H GLY A 71 -0.944 5.794 -7.405 1.00 1.12 H new ATOM 0 HA2 GLY A 71 0.828 3.541 -6.507 1.00 1.14 H new ATOM 0 HA3 GLY A 71 1.292 4.865 -7.557 1.00 1.14 H new ATOM 1117 N TYR A 72 2.301 5.849 -5.374 1.00 1.13 N ATOM 1118 CA TYR A 72 2.655 6.669 -4.165 1.00 1.07 C ATOM 1119 C TYR A 72 2.181 8.127 -4.374 1.00 1.36 C ATOM 1120 O TYR A 72 2.873 9.086 -4.072 1.00 2.97 O ATOM 1121 CB TYR A 72 4.176 6.607 -3.926 1.00 1.15 C ATOM 1122 CG TYR A 72 4.527 7.320 -2.610 1.00 1.09 C ATOM 1123 CD1 TYR A 72 3.880 6.999 -1.431 1.00 1.02 C ATOM 1124 CD2 TYR A 72 5.503 8.290 -2.588 1.00 1.55 C ATOM 1125 CE1 TYR A 72 4.211 7.637 -0.253 1.00 1.19 C ATOM 1126 CE2 TYR A 72 5.830 8.937 -1.413 1.00 1.64 C ATOM 1127 CZ TYR A 72 5.187 8.612 -0.234 1.00 1.36 C ATOM 1128 OH TYR A 72 5.522 9.238 0.953 1.00 1.62 O ATOM 0 H TYR A 72 3.055 5.673 -6.038 1.00 1.13 H new ATOM 0 HA TYR A 72 2.155 6.268 -3.283 1.00 1.07 H new ATOM 0 HB2 TYR A 72 4.505 5.569 -3.886 1.00 1.15 H new ATOM 0 HB3 TYR A 72 4.703 7.077 -4.756 1.00 1.15 H new ATOM 0 HD1 TYR A 72 3.109 6.243 -1.432 1.00 1.02 H new ATOM 0 HD2 TYR A 72 6.019 8.548 -3.501 1.00 1.55 H new ATOM 0 HE1 TYR A 72 3.702 7.371 0.662 1.00 1.19 H new ATOM 0 HE2 TYR A 72 6.593 9.702 -1.415 1.00 1.64 H new ATOM 0 HH TYR A 72 4.830 9.059 1.624 1.00 1.62 H new ATOM 1138 N THR A 73 0.990 8.247 -4.900 1.00 0.90 N ATOM 1139 CA THR A 73 0.384 9.586 -5.160 1.00 1.02 C ATOM 1140 C THR A 73 -1.125 9.526 -4.916 1.00 0.95 C ATOM 1141 O THR A 73 -1.633 10.053 -3.949 1.00 1.07 O ATOM 1142 CB THR A 73 0.640 9.986 -6.625 1.00 1.45 C ATOM 1143 OG1 THR A 73 0.342 8.806 -7.384 1.00 1.65 O ATOM 1144 CG2 THR A 73 2.118 10.259 -6.893 1.00 1.82 C ATOM 0 H THR A 73 0.401 7.458 -5.165 1.00 0.90 H new ATOM 0 HA THR A 73 0.833 10.320 -4.490 1.00 1.02 H new ATOM 0 HB THR A 73 0.056 10.874 -6.867 1.00 1.45 H new ATOM 0 HG1 THR A 73 0.482 8.986 -8.337 1.00 1.65 H new ATOM 0 HG21 THR A 73 2.253 10.538 -7.938 1.00 1.82 H new ATOM 0 HG22 THR A 73 2.459 11.073 -6.253 1.00 1.82 H new ATOM 0 HG23 THR A 73 2.698 9.362 -6.679 1.00 1.82 H new ATOM 1152 N ASP A 74 -1.792 8.819 -5.782 1.00 0.98 N ATOM 1153 CA ASP A 74 -3.276 8.696 -5.664 1.00 1.01 C ATOM 1154 C ASP A 74 -3.590 7.768 -4.500 1.00 1.06 C ATOM 1155 O ASP A 74 -4.346 8.140 -3.636 1.00 1.01 O ATOM 1156 CB ASP A 74 -3.885 8.148 -6.965 1.00 1.40 C ATOM 1157 CG ASP A 74 -2.815 8.060 -8.052 1.00 1.76 C ATOM 1158 OD1 ASP A 74 -2.133 7.056 -8.063 1.00 2.30 O ATOM 1159 OD2 ASP A 74 -2.691 9.015 -8.783 1.00 2.99 O ATOM 0 H ASP A 74 -1.377 8.319 -6.568 1.00 0.98 H new ATOM 0 HA ASP A 74 -3.711 9.679 -5.486 1.00 1.01 H new ATOM 0 HB2 ASP A 74 -4.315 7.162 -6.787 1.00 1.40 H new ATOM 0 HB3 ASP A 74 -4.697 8.795 -7.296 1.00 1.40 H new ATOM 1164 N PHE A 75 -3.029 6.572 -4.504 1.00 1.29 N ATOM 1165 CA PHE A 75 -3.293 5.677 -3.332 1.00 1.43 C ATOM 1166 C PHE A 75 -2.929 6.513 -2.108 1.00 1.33 C ATOM 1167 O PHE A 75 -3.740 6.728 -1.238 1.00 1.33 O ATOM 1168 CB PHE A 75 -2.434 4.400 -3.392 1.00 1.67 C ATOM 1169 CG PHE A 75 -2.385 3.745 -2.001 1.00 1.50 C ATOM 1170 CD1 PHE A 75 -3.520 3.196 -1.446 1.00 1.40 C ATOM 1171 CD2 PHE A 75 -1.209 3.729 -1.271 1.00 1.51 C ATOM 1172 CE1 PHE A 75 -3.484 2.645 -0.184 1.00 1.26 C ATOM 1173 CE2 PHE A 75 -1.176 3.174 -0.007 1.00 1.42 C ATOM 1174 CZ PHE A 75 -2.317 2.632 0.535 1.00 1.26 C ATOM 0 H PHE A 75 -2.427 6.194 -5.235 1.00 1.29 H new ATOM 0 HA PHE A 75 -4.329 5.340 -3.311 1.00 1.43 H new ATOM 0 HB2 PHE A 75 -2.851 3.703 -4.119 1.00 1.67 H new ATOM 0 HB3 PHE A 75 -1.425 4.643 -3.726 1.00 1.67 H new ATOM 0 HD1 PHE A 75 -4.445 3.198 -2.004 1.00 1.40 H new ATOM 0 HD2 PHE A 75 -0.310 4.154 -1.693 1.00 1.51 H new ATOM 0 HE1 PHE A 75 -4.381 2.220 0.242 1.00 1.26 H new ATOM 0 HE2 PHE A 75 -0.254 3.166 0.556 1.00 1.42 H new ATOM 0 HZ PHE A 75 -2.294 2.198 1.524 1.00 1.26 H new ATOM 1184 N ALA A 76 -1.699 6.973 -2.104 1.00 1.37 N ATOM 1185 CA ALA A 76 -1.216 7.847 -0.985 1.00 1.41 C ATOM 1186 C ALA A 76 -2.331 8.819 -0.548 1.00 1.22 C ATOM 1187 O ALA A 76 -2.673 8.902 0.617 1.00 1.21 O ATOM 1188 CB ALA A 76 0.011 8.636 -1.475 1.00 1.53 C ATOM 0 H ALA A 76 -1.007 6.781 -2.829 1.00 1.37 H new ATOM 0 HA ALA A 76 -0.944 7.232 -0.127 1.00 1.41 H new ATOM 0 HB1 ALA A 76 0.375 9.277 -0.673 1.00 1.53 H new ATOM 0 HB2 ALA A 76 0.797 7.941 -1.769 1.00 1.53 H new ATOM 0 HB3 ALA A 76 -0.269 9.250 -2.331 1.00 1.53 H new ATOM 1194 N ALA A 77 -2.883 9.541 -1.491 1.00 1.14 N ATOM 1195 CA ALA A 77 -3.989 10.486 -1.138 1.00 1.04 C ATOM 1196 C ALA A 77 -5.198 9.706 -0.608 1.00 0.94 C ATOM 1197 O ALA A 77 -5.619 9.943 0.500 1.00 0.98 O ATOM 1198 CB ALA A 77 -4.400 11.285 -2.378 1.00 1.00 C ATOM 0 H ALA A 77 -2.621 9.519 -2.477 1.00 1.14 H new ATOM 0 HA ALA A 77 -3.638 11.169 -0.365 1.00 1.04 H new ATOM 0 HB1 ALA A 77 -5.205 11.972 -2.118 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -3.544 11.851 -2.746 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -4.743 10.601 -3.154 1.00 1.00 H new ATOM 1204 N TRP A 78 -5.735 8.794 -1.398 1.00 0.92 N ATOM 1205 CA TRP A 78 -6.925 8.006 -0.911 1.00 0.87 C ATOM 1206 C TRP A 78 -6.714 7.635 0.553 1.00 0.81 C ATOM 1207 O TRP A 78 -7.583 7.845 1.379 1.00 0.82 O ATOM 1208 CB TRP A 78 -7.123 6.709 -1.710 1.00 1.09 C ATOM 1209 CG TRP A 78 -8.134 5.739 -1.076 1.00 1.06 C ATOM 1210 CD1 TRP A 78 -9.498 5.781 -1.197 1.00 1.39 C ATOM 1211 CD2 TRP A 78 -7.920 4.790 -0.099 1.00 0.92 C ATOM 1212 NE1 TRP A 78 -10.056 4.951 -0.360 1.00 1.47 N ATOM 1213 CE2 TRP A 78 -9.145 4.311 0.342 1.00 1.12 C ATOM 1214 CE3 TRP A 78 -6.732 4.357 0.464 1.00 0.96 C ATOM 1215 CZ2 TRP A 78 -9.209 3.392 1.358 1.00 1.13 C ATOM 1216 CZ3 TRP A 78 -6.813 3.434 1.497 1.00 0.98 C ATOM 1217 CH2 TRP A 78 -8.037 2.956 1.939 1.00 0.97 C ATOM 0 H TRP A 78 -5.410 8.565 -2.337 1.00 0.92 H new ATOM 0 HA TRP A 78 -7.808 8.631 -1.040 1.00 0.87 H new ATOM 0 HB2 TRP A 78 -7.457 6.961 -2.717 1.00 1.09 H new ATOM 0 HB3 TRP A 78 -6.162 6.204 -1.810 1.00 1.09 H new ATOM 0 HD1 TRP A 78 -10.036 6.413 -1.888 1.00 1.39 H new ATOM 0 HE1 TRP A 78 -11.062 4.816 -0.263 1.00 1.47 H new ATOM 0 HE3 TRP A 78 -5.779 4.723 0.113 1.00 0.96 H new ATOM 0 HZ2 TRP A 78 -10.163 3.016 1.698 1.00 1.13 H new ATOM 0 HZ3 TRP A 78 -5.906 3.082 1.965 1.00 0.98 H new ATOM 0 HH2 TRP A 78 -8.073 2.237 2.744 1.00 0.97 H new ATOM 1228 N VAL A 79 -5.560 7.065 0.819 1.00 0.90 N ATOM 1229 CA VAL A 79 -5.231 6.678 2.213 1.00 0.97 C ATOM 1230 C VAL A 79 -5.657 7.817 3.135 1.00 1.00 C ATOM 1231 O VAL A 79 -6.500 7.649 3.987 1.00 1.12 O ATOM 1232 CB VAL A 79 -3.713 6.452 2.327 1.00 1.06 C ATOM 1233 CG1 VAL A 79 -3.335 6.207 3.781 1.00 1.38 C ATOM 1234 CG2 VAL A 79 -3.298 5.214 1.530 1.00 1.25 C ATOM 0 H VAL A 79 -4.840 6.855 0.128 1.00 0.90 H new ATOM 0 HA VAL A 79 -5.749 5.760 2.492 1.00 0.97 H new ATOM 0 HB VAL A 79 -3.211 7.338 1.939 1.00 1.06 H new ATOM 0 HG11 VAL A 79 -2.259 6.048 3.855 1.00 1.38 H new ATOM 0 HG12 VAL A 79 -3.616 7.073 4.381 1.00 1.38 H new ATOM 0 HG13 VAL A 79 -3.859 5.325 4.149 1.00 1.38 H new ATOM 0 HG21 VAL A 79 -2.222 5.067 1.620 1.00 1.25 H new ATOM 0 HG22 VAL A 79 -3.818 4.339 1.920 1.00 1.25 H new ATOM 0 HG23 VAL A 79 -3.559 5.353 0.481 1.00 1.25 H new ATOM 1244 N LYS A 80 -5.099 8.961 2.883 1.00 1.04 N ATOM 1245 CA LYS A 80 -5.417 10.147 3.718 1.00 1.19 C ATOM 1246 C LYS A 80 -6.935 10.367 3.837 1.00 1.28 C ATOM 1247 O LYS A 80 -7.476 10.333 4.921 1.00 1.90 O ATOM 1248 CB LYS A 80 -4.748 11.375 3.071 1.00 1.21 C ATOM 1249 CG LYS A 80 -4.125 12.290 4.144 1.00 1.59 C ATOM 1250 CD LYS A 80 -5.181 12.861 5.109 1.00 2.08 C ATOM 1251 CE LYS A 80 -6.157 13.799 4.380 1.00 2.23 C ATOM 1252 NZ LYS A 80 -7.483 13.158 4.176 1.00 2.76 N ATOM 0 H LYS A 80 -4.432 9.128 2.130 1.00 1.04 H new ATOM 0 HA LYS A 80 -5.039 9.989 4.728 1.00 1.19 H new ATOM 0 HB2 LYS A 80 -3.977 11.049 2.373 1.00 1.21 H new ATOM 0 HB3 LYS A 80 -5.485 11.934 2.494 1.00 1.21 H new ATOM 0 HG2 LYS A 80 -3.383 11.728 4.712 1.00 1.59 H new ATOM 0 HG3 LYS A 80 -3.599 13.111 3.657 1.00 1.59 H new ATOM 0 HD2 LYS A 80 -5.735 12.043 5.570 1.00 2.08 H new ATOM 0 HD3 LYS A 80 -4.685 13.403 5.914 1.00 2.08 H new ATOM 0 HE2 LYS A 80 -6.280 14.716 4.956 1.00 2.23 H new ATOM 0 HE3 LYS A 80 -5.737 14.083 3.415 1.00 2.23 H new ATOM 0 HZ1 LYS A 80 -7.729 13.183 3.166 1.00 2.76 H new ATOM 0 HZ2 LYS A 80 -7.444 12.170 4.498 1.00 2.76 H new ATOM 0 HZ3 LYS A 80 -8.205 13.672 4.721 1.00 2.76 H new ATOM 1266 N GLU A 81 -7.580 10.585 2.728 1.00 1.03 N ATOM 1267 CA GLU A 81 -9.060 10.853 2.739 1.00 1.19 C ATOM 1268 C GLU A 81 -9.945 9.753 3.345 1.00 1.26 C ATOM 1269 O GLU A 81 -10.988 10.074 3.873 1.00 1.71 O ATOM 1270 CB GLU A 81 -9.528 11.121 1.298 1.00 1.36 C ATOM 1271 CG GLU A 81 -9.315 12.601 0.909 1.00 1.83 C ATOM 1272 CD GLU A 81 -7.850 13.019 1.047 1.00 2.88 C ATOM 1273 OE1 GLU A 81 -7.020 12.256 0.602 1.00 3.55 O ATOM 1274 OE2 GLU A 81 -7.644 14.076 1.622 1.00 3.88 O ATOM 0 H GLU A 81 -7.150 10.591 1.803 1.00 1.03 H new ATOM 0 HA GLU A 81 -9.184 11.714 3.396 1.00 1.19 H new ATOM 0 HB2 GLU A 81 -8.980 10.478 0.609 1.00 1.36 H new ATOM 0 HB3 GLU A 81 -10.583 10.865 1.202 1.00 1.36 H new ATOM 0 HG2 GLU A 81 -9.642 12.757 -0.119 1.00 1.83 H new ATOM 0 HG3 GLU A 81 -9.935 13.236 1.541 1.00 1.83 H new ATOM 1281 N ASN A 82 -9.594 8.497 3.218 1.00 1.11 N ATOM 1282 CA ASN A 82 -10.501 7.449 3.814 1.00 1.18 C ATOM 1283 C ASN A 82 -10.032 6.958 5.156 1.00 1.16 C ATOM 1284 O ASN A 82 -10.833 6.442 5.911 1.00 1.33 O ATOM 1285 CB ASN A 82 -10.631 6.229 2.878 1.00 1.30 C ATOM 1286 CG ASN A 82 -11.364 6.584 1.581 1.00 1.28 C ATOM 1287 OD1 ASN A 82 -12.074 5.773 1.019 1.00 1.48 O ATOM 1288 ND2 ASN A 82 -11.206 7.750 1.042 1.00 1.77 N ATOM 0 H ASN A 82 -8.756 8.154 2.749 1.00 1.11 H new ATOM 0 HA ASN A 82 -11.466 7.941 3.941 1.00 1.18 H new ATOM 0 HB2 ASN A 82 -9.639 5.845 2.641 1.00 1.30 H new ATOM 0 HB3 ASN A 82 -11.167 5.432 3.392 1.00 1.30 H new ATOM 0 HD21 ASN A 82 -11.673 7.973 0.163 1.00 1.77 H new ATOM 0 HD22 ASN A 82 -10.615 8.446 1.496 1.00 1.77 H new ATOM 1295 N LEU A 83 -8.779 7.079 5.445 1.00 1.07 N ATOM 1296 CA LEU A 83 -8.365 6.623 6.778 1.00 1.19 C ATOM 1297 C LEU A 83 -8.658 7.794 7.704 1.00 1.26 C ATOM 1298 O LEU A 83 -9.229 7.561 8.739 1.00 1.35 O ATOM 1299 CB LEU A 83 -6.883 6.224 6.785 1.00 1.16 C ATOM 1300 CG LEU A 83 -6.611 5.113 5.748 1.00 1.11 C ATOM 1301 CD1 LEU A 83 -5.265 4.482 6.072 1.00 1.17 C ATOM 1302 CD2 LEU A 83 -7.687 4.021 5.786 1.00 1.18 C ATOM 0 H LEU A 83 -8.050 7.459 4.841 1.00 1.07 H new ATOM 0 HA LEU A 83 -8.900 5.729 7.099 1.00 1.19 H new ATOM 0 HB2 LEU A 83 -6.266 7.095 6.563 1.00 1.16 H new ATOM 0 HB3 LEU A 83 -6.599 5.878 7.779 1.00 1.16 H new ATOM 0 HG LEU A 83 -6.618 5.558 4.753 1.00 1.11 H new ATOM 0 HD11 LEU A 83 -5.050 3.693 5.352 1.00 1.17 H new ATOM 0 HD12 LEU A 83 -4.485 5.242 6.021 1.00 1.17 H new ATOM 0 HD13 LEU A 83 -5.294 4.059 7.076 1.00 1.17 H new ATOM 0 HD21 LEU A 83 -7.458 3.259 5.041 1.00 1.18 H new ATOM 0 HD22 LEU A 83 -7.709 3.566 6.776 1.00 1.18 H new ATOM 0 HD23 LEU A 83 -8.660 4.461 5.568 1.00 1.18 H new ATOM 1314 N ASP A 84 -8.139 8.974 7.370 1.00 1.72 N ATOM 1315 CA ASP A 84 -8.416 10.225 8.165 1.00 1.82 C ATOM 1316 C ASP A 84 -8.930 9.950 9.575 1.00 3.07 C ATOM 1317 O ASP A 84 -8.212 10.030 10.559 1.00 4.18 O ATOM 1318 CB ASP A 84 -9.439 11.117 7.424 1.00 2.46 C ATOM 1319 CG ASP A 84 -8.765 12.267 6.644 1.00 3.65 C ATOM 1320 OD1 ASP A 84 -7.625 12.594 6.933 1.00 3.90 O ATOM 1321 OD2 ASP A 84 -9.445 12.800 5.791 1.00 5.10 O ATOM 0 H ASP A 84 -7.527 9.116 6.567 1.00 1.72 H new ATOM 0 HA ASP A 84 -7.457 10.735 8.262 1.00 1.82 H new ATOM 0 HB2 ASP A 84 -10.018 10.504 6.733 1.00 2.46 H new ATOM 0 HB3 ASP A 84 -10.142 11.534 8.145 1.00 2.46 H new