USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 GLN : amide:sc= -1.57 K(o=-5.1,f=-9!) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -3.53! C(o=-5.1!,f=-5.7!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -121:sc= -0.862! (180deg=-2.06!) USER MOD Set 2.2: A 49 GLN : amide:sc= 0.274 K(o=-0.66,f=-5.7) USER MOD Set 2.3: A 58 THR OG1 : rot 180:sc= -0.0755 USER MOD Set 3.1: A 9 SER OG : rot 91:sc= 1.92 USER MOD Set 3.2: A 35 TYR OH : rot 14:sc= -3.62! USER MOD Single : A 1 MET CE :methyl -145:sc= -0.0265 (180deg=-0.24) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.634 (180deg=-0.402) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.052 F(o=-1.4!,f=-0.052) USER MOD Single : A 3 THR OG1 : rot 123:sc= 1.3 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.294 USER MOD Single : A 18 LYS NZ :NH3+ -112:sc= -2.18! (180deg=-4.93!) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= 1.42 (180deg=-0.31) USER MOD Single : A 25 SER OG : rot 23:sc= 0.362 USER MOD Single : A 26 ASN : amide:sc= -0.485 X(o=-0.49,f=-0.42) USER MOD Single : A 32 GLN : amide:sc= 0.239 K(o=0.24,f=-0.31) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 34 GLN : amide:sc= 0.942 K(o=0.94,f=-0.086) USER MOD Single : A 44 THR OG1 : rot -70:sc= 1.27 USER MOD Single : A 50 GLN : amide:sc= 0.262 X(o=0.26,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 150:sc= 1.17 (180deg=-0.242) USER MOD Single : A 54 LYS NZ :NH3+ -129:sc= 3.39 (180deg=0.672) USER MOD Single : A 66 GLN : amide:sc= 0.235 X(o=0.24,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.626 X(o=-0.63,f=-0.44) USER MOD Single : A 72 TYR OH : rot 49:sc= 0.707 USER MOD Single : A 73 THR OG1 : rot 180:sc=-0.00569 USER MOD Single : A 80 LYS NZ :NH3+ -128:sc= 0.2 (180deg=-5.08!) USER MOD Single : A 82 ASN :FLIP amide:sc= -4.72 F(o=-6,f=-4.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.450 -4.912 3.791 1.00 4.04 N ATOM 2 CA MET A 1 -9.925 -3.549 3.481 1.00 3.02 C ATOM 3 C MET A 1 -8.447 -3.432 3.884 1.00 2.45 C ATOM 4 O MET A 1 -8.068 -2.536 4.608 1.00 3.11 O ATOM 5 CB MET A 1 -10.751 -2.462 4.204 1.00 3.09 C ATOM 6 CG MET A 1 -10.745 -2.664 5.730 1.00 2.68 C ATOM 7 SD MET A 1 -11.335 -1.277 6.730 1.00 3.31 S ATOM 8 CE MET A 1 -9.867 -0.223 6.565 1.00 2.26 C ATOM 0 H1 MET A 1 -10.732 -5.384 2.908 1.00 4.04 H new ATOM 0 H2 MET A 1 -9.709 -5.471 4.261 1.00 4.04 H new ATOM 0 H3 MET A 1 -11.275 -4.832 4.420 1.00 4.04 H new ATOM 0 HA MET A 1 -10.012 -3.396 2.405 1.00 3.02 H new ATOM 0 HB2 MET A 1 -10.346 -1.478 3.965 1.00 3.09 H new ATOM 0 HB3 MET A 1 -11.778 -2.482 3.838 1.00 3.09 H new ATOM 0 HG2 MET A 1 -11.357 -3.536 5.961 1.00 2.68 H new ATOM 0 HG3 MET A 1 -9.726 -2.899 6.039 1.00 2.68 H new ATOM 0 HE1 MET A 1 -9.707 0.326 7.493 1.00 2.26 H new ATOM 0 HE2 MET A 1 -8.995 -0.843 6.356 1.00 2.26 H new ATOM 0 HE3 MET A 1 -10.015 0.482 5.747 1.00 2.26 H new ATOM 18 N GLN A 2 -7.629 -4.329 3.400 1.00 1.54 N ATOM 19 CA GLN A 2 -6.179 -4.259 3.745 1.00 1.38 C ATOM 20 C GLN A 2 -5.417 -3.773 2.513 1.00 1.11 C ATOM 21 O GLN A 2 -6.007 -3.625 1.460 1.00 1.37 O ATOM 22 CB GLN A 2 -5.682 -5.640 4.174 1.00 1.41 C ATOM 23 CG GLN A 2 -6.500 -6.118 5.388 1.00 2.32 C ATOM 24 CD GLN A 2 -5.847 -7.349 6.024 1.00 2.92 C ATOM 25 OE1 GLN A 2 -4.556 -7.475 5.981 1.00 3.52 O flip ATOM 26 NE2 GLN A 2 -6.507 -8.189 6.590 1.00 4.14 N flip ATOM 0 H GLN A 2 -7.898 -5.099 2.787 1.00 1.54 H new ATOM 0 HA GLN A 2 -6.017 -3.568 4.572 1.00 1.38 H new ATOM 0 HB2 GLN A 2 -5.783 -6.348 3.351 1.00 1.41 H new ATOM 0 HB3 GLN A 2 -4.623 -5.596 4.429 1.00 1.41 H new ATOM 0 HG2 GLN A 2 -6.572 -5.317 6.123 1.00 2.32 H new ATOM 0 HG3 GLN A 2 -7.517 -6.358 5.077 1.00 2.32 H new ATOM 0 HE21 GLN A 2 -7.522 -8.099 6.629 1.00 4.14 H new ATOM 0 HE22 GLN A 2 -6.049 -8.988 7.028 1.00 4.14 H new ATOM 35 N THR A 3 -4.145 -3.549 2.652 1.00 0.75 N ATOM 36 CA THR A 3 -3.373 -3.037 1.479 1.00 0.57 C ATOM 37 C THR A 3 -2.313 -4.017 0.964 1.00 0.50 C ATOM 38 O THR A 3 -1.645 -4.677 1.729 1.00 0.62 O ATOM 39 CB THR A 3 -2.687 -1.752 1.939 1.00 0.63 C ATOM 40 OG1 THR A 3 -3.746 -0.924 2.421 1.00 0.75 O ATOM 41 CG2 THR A 3 -2.058 -0.989 0.767 1.00 0.75 C ATOM 0 H THR A 3 -3.609 -3.693 3.508 1.00 0.75 H new ATOM 0 HA THR A 3 -4.063 -2.881 0.650 1.00 0.57 H new ATOM 0 HB THR A 3 -1.909 -1.988 2.665 1.00 0.63 H new ATOM 0 HG1 THR A 3 -3.569 -0.676 3.352 1.00 0.75 H new ATOM 0 HG21 THR A 3 -1.581 -0.082 1.138 1.00 0.75 H new ATOM 0 HG22 THR A 3 -1.313 -1.619 0.281 1.00 0.75 H new ATOM 0 HG23 THR A 3 -2.833 -0.723 0.048 1.00 0.75 H new ATOM 49 N VAL A 4 -2.187 -4.069 -0.335 1.00 0.42 N ATOM 50 CA VAL A 4 -1.164 -4.940 -0.988 1.00 0.44 C ATOM 51 C VAL A 4 -0.271 -3.986 -1.772 1.00 0.40 C ATOM 52 O VAL A 4 -0.791 -3.151 -2.506 1.00 0.41 O ATOM 53 CB VAL A 4 -1.841 -5.923 -1.955 1.00 0.51 C ATOM 54 CG1 VAL A 4 -0.769 -6.773 -2.658 1.00 0.64 C ATOM 55 CG2 VAL A 4 -2.793 -6.841 -1.172 1.00 0.61 C ATOM 0 H VAL A 4 -2.762 -3.533 -0.985 1.00 0.42 H new ATOM 0 HA VAL A 4 -0.607 -5.528 -0.258 1.00 0.44 H new ATOM 0 HB VAL A 4 -2.408 -5.365 -2.701 1.00 0.51 H new ATOM 0 HG11 VAL A 4 -1.250 -7.470 -3.344 1.00 0.64 H new ATOM 0 HG12 VAL A 4 -0.096 -6.122 -3.215 1.00 0.64 H new ATOM 0 HG13 VAL A 4 -0.201 -7.330 -1.913 1.00 0.64 H new ATOM 0 HG21 VAL A 4 -3.273 -7.538 -1.859 1.00 0.61 H new ATOM 0 HG22 VAL A 4 -2.228 -7.399 -0.425 1.00 0.61 H new ATOM 0 HG23 VAL A 4 -3.554 -6.238 -0.676 1.00 0.61 H new ATOM 65 N ILE A 5 1.018 -4.091 -1.565 1.00 0.41 N ATOM 66 CA ILE A 5 1.960 -3.183 -2.298 1.00 0.43 C ATOM 67 C ILE A 5 2.810 -3.983 -3.296 1.00 0.42 C ATOM 68 O ILE A 5 3.565 -4.843 -2.892 1.00 0.48 O ATOM 69 CB ILE A 5 2.906 -2.505 -1.286 1.00 0.51 C ATOM 70 CG1 ILE A 5 2.118 -1.903 -0.095 1.00 0.61 C ATOM 71 CG2 ILE A 5 3.708 -1.408 -2.004 1.00 0.53 C ATOM 72 CD1 ILE A 5 1.277 -0.698 -0.526 1.00 1.53 C ATOM 0 H ILE A 5 1.457 -4.757 -0.929 1.00 0.41 H new ATOM 0 HA ILE A 5 1.375 -2.437 -2.836 1.00 0.43 H new ATOM 0 HB ILE A 5 3.586 -3.256 -0.884 1.00 0.51 H new ATOM 0 HG12 ILE A 5 1.468 -2.666 0.335 1.00 0.61 H new ATOM 0 HG13 ILE A 5 2.815 -1.600 0.687 1.00 0.61 H new ATOM 0 HG21 ILE A 5 4.379 -0.924 -1.294 1.00 0.53 H new ATOM 0 HG22 ILE A 5 4.292 -1.853 -2.810 1.00 0.53 H new ATOM 0 HG23 ILE A 5 3.023 -0.668 -2.418 1.00 0.53 H new ATOM 0 HD11 ILE A 5 0.739 -0.303 0.336 1.00 1.53 H new ATOM 0 HD12 ILE A 5 1.930 0.075 -0.932 1.00 1.53 H new ATOM 0 HD13 ILE A 5 0.563 -1.007 -1.289 1.00 1.53 H new ATOM 84 N PHE A 6 2.718 -3.645 -4.558 1.00 0.42 N ATOM 85 CA PHE A 6 3.515 -4.359 -5.601 1.00 0.50 C ATOM 86 C PHE A 6 4.730 -3.494 -5.909 1.00 0.62 C ATOM 87 O PHE A 6 4.728 -2.728 -6.862 1.00 0.70 O ATOM 88 CB PHE A 6 2.686 -4.524 -6.883 1.00 0.58 C ATOM 89 CG PHE A 6 1.455 -5.388 -6.615 1.00 0.57 C ATOM 90 CD1 PHE A 6 0.307 -4.821 -6.102 1.00 0.81 C ATOM 91 CD2 PHE A 6 1.479 -6.743 -6.874 1.00 0.73 C ATOM 92 CE1 PHE A 6 -0.802 -5.598 -5.849 1.00 0.92 C ATOM 93 CE2 PHE A 6 0.370 -7.520 -6.622 1.00 0.78 C ATOM 94 CZ PHE A 6 -0.771 -6.949 -6.109 1.00 0.76 C ATOM 0 H PHE A 6 2.120 -2.899 -4.913 1.00 0.42 H new ATOM 0 HA PHE A 6 3.805 -5.347 -5.244 1.00 0.50 H new ATOM 0 HB2 PHE A 6 2.378 -3.546 -7.253 1.00 0.58 H new ATOM 0 HB3 PHE A 6 3.296 -4.981 -7.662 1.00 0.58 H new ATOM 0 HD1 PHE A 6 0.277 -3.761 -5.897 1.00 0.81 H new ATOM 0 HD2 PHE A 6 2.372 -7.197 -7.277 1.00 0.73 H new ATOM 0 HE1 PHE A 6 -1.697 -5.146 -5.446 1.00 0.92 H new ATOM 0 HE2 PHE A 6 0.397 -8.580 -6.828 1.00 0.78 H new ATOM 0 HZ PHE A 6 -1.640 -7.559 -5.911 1.00 0.76 H new ATOM 104 N GLY A 7 5.712 -3.609 -5.068 1.00 0.79 N ATOM 105 CA GLY A 7 6.947 -2.801 -5.252 1.00 1.00 C ATOM 106 C GLY A 7 8.165 -3.694 -5.166 1.00 1.42 C ATOM 107 O GLY A 7 8.049 -4.896 -5.046 1.00 1.87 O ATOM 0 H GLY A 7 5.715 -4.229 -4.258 1.00 0.79 H new ATOM 0 HA2 GLY A 7 6.922 -2.298 -6.219 1.00 1.00 H new ATOM 0 HA3 GLY A 7 7.001 -2.024 -4.489 1.00 1.00 H new ATOM 111 N ARG A 8 9.313 -3.091 -5.193 1.00 1.42 N ATOM 112 CA ARG A 8 10.568 -3.888 -5.108 1.00 1.89 C ATOM 113 C ARG A 8 11.175 -3.802 -3.705 1.00 2.30 C ATOM 114 O ARG A 8 11.302 -4.812 -3.048 1.00 3.09 O ATOM 115 CB ARG A 8 11.601 -3.316 -6.095 1.00 2.37 C ATOM 116 CG ARG A 8 11.332 -3.802 -7.522 1.00 1.88 C ATOM 117 CD ARG A 8 11.590 -5.310 -7.625 1.00 3.08 C ATOM 118 NE ARG A 8 12.699 -5.708 -6.699 1.00 3.99 N ATOM 119 CZ ARG A 8 12.536 -6.777 -5.983 1.00 5.49 C ATOM 120 NH1 ARG A 8 12.804 -7.907 -6.523 1.00 6.43 N ATOM 121 NH2 ARG A 8 12.069 -6.694 -4.780 1.00 6.47 N ATOM 0 H ARG A 8 9.441 -2.082 -5.270 1.00 1.42 H new ATOM 0 HA ARG A 8 10.326 -4.925 -5.343 1.00 1.89 H new ATOM 0 HB2 ARG A 8 11.570 -2.227 -6.067 1.00 2.37 H new ATOM 0 HB3 ARG A 8 12.604 -3.614 -5.789 1.00 2.37 H new ATOM 0 HG2 ARG A 8 10.301 -3.582 -7.801 1.00 1.88 H new ATOM 0 HG3 ARG A 8 11.973 -3.267 -8.223 1.00 1.88 H new ATOM 0 HD2 ARG A 8 10.683 -5.860 -7.375 1.00 3.08 H new ATOM 0 HD3 ARG A 8 11.850 -5.573 -8.650 1.00 3.08 H new ATOM 0 HE ARG A 8 13.554 -5.156 -6.634 1.00 3.99 H new ATOM 0 HH11 ARG A 8 13.134 -7.946 -7.487 1.00 6.43 H new ATOM 0 HH12 ARG A 8 12.687 -8.768 -5.989 1.00 6.43 H new ATOM 0 HH21 ARG A 8 11.826 -5.784 -4.389 1.00 6.47 H new ATOM 0 HH22 ARG A 8 11.943 -7.539 -4.222 1.00 6.47 H new ATOM 135 N SER A 9 11.561 -2.605 -3.339 1.00 3.04 N ATOM 136 CA SER A 9 12.196 -2.291 -2.011 1.00 3.56 C ATOM 137 C SER A 9 13.706 -2.260 -2.213 1.00 3.09 C ATOM 138 O SER A 9 14.248 -3.003 -3.009 1.00 2.89 O ATOM 139 CB SER A 9 11.826 -3.283 -0.901 1.00 4.66 C ATOM 140 OG SER A 9 10.432 -3.071 -0.738 1.00 5.95 O ATOM 0 H SER A 9 11.457 -1.786 -3.938 1.00 3.04 H new ATOM 0 HA SER A 9 11.817 -1.326 -1.674 1.00 3.56 H new ATOM 0 HB2 SER A 9 12.047 -4.311 -1.188 1.00 4.66 H new ATOM 0 HB3 SER A 9 12.375 -3.083 0.019 1.00 4.66 H new ATOM 0 HG SER A 9 9.938 -3.675 -1.331 1.00 5.95 H new ATOM 146 N GLY A 10 14.349 -1.395 -1.478 1.00 3.71 N ATOM 147 CA GLY A 10 15.825 -1.240 -1.625 1.00 3.81 C ATOM 148 C GLY A 10 16.056 0.091 -2.340 1.00 3.92 C ATOM 149 O GLY A 10 17.124 0.668 -2.287 1.00 4.70 O ATOM 0 H GLY A 10 13.916 -0.788 -0.781 1.00 3.71 H new ATOM 0 HA2 GLY A 10 16.314 -1.246 -0.651 1.00 3.81 H new ATOM 0 HA3 GLY A 10 16.246 -2.066 -2.198 1.00 3.81 H new ATOM 153 N CYS A 11 15.019 0.521 -3.012 1.00 3.29 N ATOM 154 CA CYS A 11 15.049 1.808 -3.768 1.00 3.44 C ATOM 155 C CYS A 11 14.085 2.825 -3.121 1.00 3.00 C ATOM 156 O CYS A 11 13.063 2.454 -2.576 1.00 3.05 O ATOM 157 CB CYS A 11 14.589 1.506 -5.196 1.00 3.46 C ATOM 158 SG CYS A 11 13.467 0.095 -5.392 1.00 3.05 S ATOM 0 H CYS A 11 14.132 0.021 -3.069 1.00 3.29 H new ATOM 0 HA CYS A 11 16.053 2.233 -3.760 1.00 3.44 H new ATOM 0 HB2 CYS A 11 14.096 2.394 -5.592 1.00 3.46 H new ATOM 0 HB3 CYS A 11 15.472 1.330 -5.811 1.00 3.46 H new ATOM 163 N PRO A 12 14.402 4.098 -3.237 1.00 2.82 N ATOM 164 CA PRO A 12 13.652 5.155 -2.521 1.00 2.58 C ATOM 165 C PRO A 12 12.140 5.089 -2.799 1.00 2.10 C ATOM 166 O PRO A 12 11.346 4.953 -1.881 1.00 2.31 O ATOM 167 CB PRO A 12 14.266 6.470 -3.034 1.00 2.80 C ATOM 168 CG PRO A 12 15.099 6.105 -4.285 1.00 2.85 C ATOM 169 CD PRO A 12 15.468 4.623 -4.129 1.00 3.03 C ATOM 0 HA PRO A 12 13.736 5.049 -1.439 1.00 2.58 H new ATOM 0 HB2 PRO A 12 13.487 7.191 -3.283 1.00 2.80 H new ATOM 0 HB3 PRO A 12 14.893 6.929 -2.270 1.00 2.80 H new ATOM 0 HG2 PRO A 12 14.526 6.271 -5.197 1.00 2.85 H new ATOM 0 HG3 PRO A 12 15.993 6.725 -4.353 1.00 2.85 H new ATOM 0 HD2 PRO A 12 15.479 4.108 -5.089 1.00 3.03 H new ATOM 0 HD3 PRO A 12 16.458 4.499 -3.690 1.00 3.03 H new ATOM 177 N TYR A 13 11.784 5.153 -4.066 1.00 1.80 N ATOM 178 CA TYR A 13 10.328 5.128 -4.429 1.00 1.58 C ATOM 179 C TYR A 13 9.681 3.776 -4.122 1.00 1.43 C ATOM 180 O TYR A 13 8.590 3.751 -3.597 1.00 1.46 O ATOM 181 CB TYR A 13 10.124 5.466 -5.917 1.00 1.84 C ATOM 182 CG TYR A 13 8.748 6.151 -6.070 1.00 1.38 C ATOM 183 CD1 TYR A 13 7.580 5.461 -5.793 1.00 1.89 C ATOM 184 CD2 TYR A 13 8.656 7.493 -6.388 1.00 1.75 C ATOM 185 CE1 TYR A 13 6.359 6.099 -5.816 1.00 2.35 C ATOM 186 CE2 TYR A 13 7.428 8.130 -6.413 1.00 2.09 C ATOM 187 CZ TYR A 13 6.273 7.439 -6.122 1.00 2.28 C ATOM 188 OH TYR A 13 5.056 8.090 -6.105 1.00 3.09 O ATOM 0 H TYR A 13 12.430 5.220 -4.853 1.00 1.80 H new ATOM 0 HA TYR A 13 9.842 5.886 -3.815 1.00 1.58 H new ATOM 0 HB2 TYR A 13 10.918 6.124 -6.270 1.00 1.84 H new ATOM 0 HB3 TYR A 13 10.168 4.561 -6.522 1.00 1.84 H new ATOM 0 HD1 TYR A 13 7.627 4.408 -5.556 1.00 1.89 H new ATOM 0 HD2 TYR A 13 9.552 8.050 -6.619 1.00 1.75 H new ATOM 0 HE1 TYR A 13 5.461 5.543 -5.592 1.00 2.35 H new ATOM 0 HE2 TYR A 13 7.375 9.179 -6.663 1.00 2.09 H new ATOM 0 HH TYR A 13 5.185 9.031 -6.345 1.00 3.09 H new ATOM 198 N CYS A 14 10.321 2.681 -4.445 1.00 1.48 N ATOM 199 CA CYS A 14 9.661 1.375 -4.113 1.00 1.46 C ATOM 200 C CYS A 14 9.338 1.375 -2.615 1.00 1.05 C ATOM 201 O CYS A 14 8.184 1.253 -2.221 1.00 1.00 O ATOM 202 CB CYS A 14 10.584 0.211 -4.469 1.00 1.74 C ATOM 203 SG CYS A 14 12.250 0.178 -3.778 1.00 3.57 S ATOM 0 H CYS A 14 11.231 2.628 -4.903 1.00 1.48 H new ATOM 0 HA CYS A 14 8.743 1.256 -4.689 1.00 1.46 H new ATOM 0 HB2 CYS A 14 10.084 -0.710 -4.169 1.00 1.74 H new ATOM 0 HB3 CYS A 14 10.677 0.184 -5.555 1.00 1.74 H new ATOM 208 N VAL A 15 10.363 1.604 -1.829 1.00 0.93 N ATOM 209 CA VAL A 15 10.208 1.637 -0.352 1.00 0.68 C ATOM 210 C VAL A 15 9.091 2.609 0.068 1.00 0.56 C ATOM 211 O VAL A 15 8.305 2.288 0.936 1.00 0.64 O ATOM 212 CB VAL A 15 11.560 2.057 0.250 1.00 0.86 C ATOM 213 CG1 VAL A 15 11.432 2.198 1.768 1.00 0.92 C ATOM 214 CG2 VAL A 15 12.596 0.961 -0.052 1.00 1.19 C ATOM 0 H VAL A 15 11.313 1.771 -2.160 1.00 0.93 H new ATOM 0 HA VAL A 15 9.921 0.652 0.016 1.00 0.68 H new ATOM 0 HB VAL A 15 11.868 3.009 -0.181 1.00 0.86 H new ATOM 0 HG11 VAL A 15 12.393 2.496 2.188 1.00 0.92 H new ATOM 0 HG12 VAL A 15 10.684 2.956 2.001 1.00 0.92 H new ATOM 0 HG13 VAL A 15 11.128 1.243 2.198 1.00 0.92 H new ATOM 0 HG21 VAL A 15 13.560 1.246 0.369 1.00 1.19 H new ATOM 0 HG22 VAL A 15 12.270 0.020 0.391 1.00 1.19 H new ATOM 0 HG23 VAL A 15 12.693 0.839 -1.131 1.00 1.19 H new ATOM 224 N ARG A 16 9.100 3.803 -0.487 1.00 0.61 N ATOM 225 CA ARG A 16 8.035 4.815 -0.133 1.00 0.67 C ATOM 226 C ARG A 16 6.674 4.187 0.180 1.00 0.75 C ATOM 227 O ARG A 16 6.082 4.512 1.193 1.00 1.23 O ATOM 228 CB ARG A 16 7.867 5.853 -1.258 1.00 0.85 C ATOM 229 CG ARG A 16 8.883 6.992 -1.069 1.00 1.21 C ATOM 230 CD ARG A 16 8.652 7.679 0.294 1.00 1.65 C ATOM 231 NE ARG A 16 9.889 7.518 1.123 1.00 2.42 N ATOM 232 CZ ARG A 16 9.975 6.559 1.992 1.00 3.11 C ATOM 233 NH1 ARG A 16 9.478 6.722 3.178 1.00 3.44 N ATOM 234 NH2 ARG A 16 10.563 5.470 1.628 1.00 4.46 N ATOM 0 H ARG A 16 9.792 4.122 -1.165 1.00 0.61 H new ATOM 0 HA ARG A 16 8.386 5.301 0.777 1.00 0.67 H new ATOM 0 HB2 ARG A 16 8.014 5.379 -2.228 1.00 0.85 H new ATOM 0 HB3 ARG A 16 6.853 6.252 -1.249 1.00 0.85 H new ATOM 0 HG2 ARG A 16 9.898 6.598 -1.121 1.00 1.21 H new ATOM 0 HG3 ARG A 16 8.782 7.719 -1.875 1.00 1.21 H new ATOM 0 HD2 ARG A 16 8.426 8.736 0.152 1.00 1.65 H new ATOM 0 HD3 ARG A 16 7.795 7.235 0.802 1.00 1.65 H new ATOM 0 HE ARG A 16 10.668 8.166 1.004 1.00 2.42 H new ATOM 0 HH11 ARG A 16 9.022 7.601 3.424 1.00 3.44 H new ATOM 0 HH12 ARG A 16 9.543 5.971 3.866 1.00 3.44 H new ATOM 0 HH21 ARG A 16 10.941 5.385 0.684 1.00 4.46 H new ATOM 0 HH22 ARG A 16 10.650 4.694 2.284 1.00 4.46 H new ATOM 248 N ALA A 17 6.198 3.325 -0.678 1.00 0.72 N ATOM 249 CA ALA A 17 4.877 2.683 -0.403 1.00 0.75 C ATOM 250 C ALA A 17 4.954 1.811 0.864 1.00 0.75 C ATOM 251 O ALA A 17 4.070 1.852 1.701 1.00 0.82 O ATOM 252 CB ALA A 17 4.484 1.835 -1.609 1.00 0.77 C ATOM 0 H ALA A 17 6.656 3.040 -1.544 1.00 0.72 H new ATOM 0 HA ALA A 17 4.124 3.453 -0.234 1.00 0.75 H new ATOM 0 HB1 ALA A 17 3.521 1.360 -1.422 1.00 0.77 H new ATOM 0 HB2 ALA A 17 4.410 2.470 -2.492 1.00 0.77 H new ATOM 0 HB3 ALA A 17 5.240 1.068 -1.776 1.00 0.77 H new ATOM 258 N LYS A 18 6.022 1.062 0.990 1.00 0.72 N ATOM 259 CA LYS A 18 6.184 0.171 2.187 1.00 0.75 C ATOM 260 C LYS A 18 6.207 1.023 3.447 1.00 0.72 C ATOM 261 O LYS A 18 5.553 0.709 4.428 1.00 0.78 O ATOM 262 CB LYS A 18 7.491 -0.644 2.048 1.00 0.80 C ATOM 263 CG LYS A 18 8.122 -0.973 3.424 1.00 1.05 C ATOM 264 CD LYS A 18 9.326 -0.038 3.650 1.00 1.42 C ATOM 265 CE LYS A 18 9.929 -0.243 5.047 1.00 1.87 C ATOM 266 NZ LYS A 18 8.962 0.138 6.112 1.00 1.92 N ATOM 0 H LYS A 18 6.789 1.027 0.318 1.00 0.72 H new ATOM 0 HA LYS A 18 5.348 -0.525 2.253 1.00 0.75 H new ATOM 0 HB2 LYS A 18 7.284 -1.571 1.513 1.00 0.80 H new ATOM 0 HB3 LYS A 18 8.206 -0.082 1.447 1.00 0.80 H new ATOM 0 HG2 LYS A 18 7.387 -0.842 4.218 1.00 1.05 H new ATOM 0 HG3 LYS A 18 8.441 -2.015 3.454 1.00 1.05 H new ATOM 0 HD2 LYS A 18 10.085 -0.227 2.891 1.00 1.42 H new ATOM 0 HD3 LYS A 18 9.012 0.999 3.535 1.00 1.42 H new ATOM 0 HE2 LYS A 18 10.218 -1.286 5.171 1.00 1.87 H new ATOM 0 HE3 LYS A 18 10.836 0.353 5.146 1.00 1.87 H new ATOM 0 HZ1 LYS A 18 9.304 0.988 6.603 1.00 1.92 H new ATOM 0 HZ2 LYS A 18 8.034 0.335 5.685 1.00 1.92 H new ATOM 0 HZ3 LYS A 18 8.871 -0.642 6.793 1.00 1.92 H new ATOM 280 N ASP A 19 6.991 2.065 3.408 1.00 0.68 N ATOM 281 CA ASP A 19 7.058 2.951 4.590 1.00 0.70 C ATOM 282 C ASP A 19 5.679 3.449 4.914 1.00 0.67 C ATOM 283 O ASP A 19 5.301 3.415 6.051 1.00 0.68 O ATOM 284 CB ASP A 19 7.953 4.160 4.340 1.00 0.76 C ATOM 285 CG ASP A 19 9.378 3.834 4.761 1.00 2.10 C ATOM 286 OD1 ASP A 19 9.503 3.309 5.863 1.00 3.47 O ATOM 287 OD2 ASP A 19 10.247 4.176 3.977 1.00 2.84 O ATOM 0 H ASP A 19 7.578 2.334 2.618 1.00 0.68 H new ATOM 0 HA ASP A 19 7.474 2.372 5.414 1.00 0.70 H new ATOM 0 HB2 ASP A 19 7.928 4.432 3.285 1.00 0.76 H new ATOM 0 HB3 ASP A 19 7.585 5.020 4.900 1.00 0.76 H new ATOM 292 N LEU A 20 4.976 3.918 3.923 1.00 0.69 N ATOM 293 CA LEU A 20 3.609 4.415 4.201 1.00 0.70 C ATOM 294 C LEU A 20 2.774 3.288 4.811 1.00 0.69 C ATOM 295 O LEU A 20 2.302 3.443 5.908 1.00 0.74 O ATOM 296 CB LEU A 20 2.998 4.943 2.899 1.00 0.73 C ATOM 297 CG LEU A 20 1.570 5.480 3.120 1.00 0.75 C ATOM 298 CD1 LEU A 20 1.520 6.441 4.320 1.00 0.87 C ATOM 299 CD2 LEU A 20 1.137 6.258 1.870 1.00 0.86 C ATOM 0 H LEU A 20 5.284 3.977 2.952 1.00 0.69 H new ATOM 0 HA LEU A 20 3.633 5.234 4.920 1.00 0.70 H new ATOM 0 HB2 LEU A 20 3.628 5.736 2.496 1.00 0.73 H new ATOM 0 HB3 LEU A 20 2.977 4.145 2.157 1.00 0.73 H new ATOM 0 HG LEU A 20 0.910 4.634 3.312 1.00 0.75 H new ATOM 0 HD11 LEU A 20 0.501 6.805 4.453 1.00 0.87 H new ATOM 0 HD12 LEU A 20 1.838 5.916 5.220 1.00 0.87 H new ATOM 0 HD13 LEU A 20 2.185 7.285 4.138 1.00 0.87 H new ATOM 0 HD21 LEU A 20 0.128 6.644 2.013 1.00 0.86 H new ATOM 0 HD22 LEU A 20 1.823 7.089 1.703 1.00 0.86 H new ATOM 0 HD23 LEU A 20 1.153 5.595 1.005 1.00 0.86 H new ATOM 311 N ALA A 21 2.633 2.176 4.140 1.00 0.66 N ATOM 312 CA ALA A 21 1.819 1.080 4.753 1.00 0.65 C ATOM 313 C ALA A 21 2.295 0.810 6.193 1.00 0.63 C ATOM 314 O ALA A 21 1.512 0.844 7.123 1.00 0.63 O ATOM 315 CB ALA A 21 1.941 -0.199 3.914 1.00 0.74 C ATOM 0 H ALA A 21 3.031 1.979 3.222 1.00 0.66 H new ATOM 0 HA ALA A 21 0.774 1.390 4.777 1.00 0.65 H new ATOM 0 HB1 ALA A 21 1.345 -0.990 4.368 1.00 0.74 H new ATOM 0 HB2 ALA A 21 1.580 -0.007 2.904 1.00 0.74 H new ATOM 0 HB3 ALA A 21 2.985 -0.509 3.873 1.00 0.74 H new ATOM 321 N GLU A 22 3.572 0.571 6.339 1.00 0.72 N ATOM 322 CA GLU A 22 4.151 0.294 7.687 1.00 0.81 C ATOM 323 C GLU A 22 3.838 1.407 8.692 1.00 0.85 C ATOM 324 O GLU A 22 3.400 1.160 9.802 1.00 0.92 O ATOM 325 CB GLU A 22 5.668 0.172 7.509 1.00 1.02 C ATOM 326 CG GLU A 22 6.401 0.319 8.849 1.00 1.26 C ATOM 327 CD GLU A 22 7.902 0.344 8.580 1.00 1.76 C ATOM 328 OE1 GLU A 22 8.391 1.438 8.318 1.00 2.80 O ATOM 329 OE2 GLU A 22 8.463 -0.736 8.547 1.00 2.32 O ATOM 0 H GLU A 22 4.246 0.556 5.573 1.00 0.72 H new ATOM 0 HA GLU A 22 3.714 -0.621 8.086 1.00 0.81 H new ATOM 0 HB2 GLU A 22 5.908 -0.794 7.065 1.00 1.02 H new ATOM 0 HB3 GLU A 22 6.017 0.937 6.815 1.00 1.02 H new ATOM 0 HG2 GLU A 22 6.091 1.235 9.352 1.00 1.26 H new ATOM 0 HG3 GLU A 22 6.149 -0.509 9.511 1.00 1.26 H new ATOM 336 N LYS A 23 4.092 2.615 8.283 1.00 0.92 N ATOM 337 CA LYS A 23 3.859 3.751 9.181 1.00 1.10 C ATOM 338 C LYS A 23 2.383 3.757 9.561 1.00 1.03 C ATOM 339 O LYS A 23 2.047 3.744 10.725 1.00 1.16 O ATOM 340 CB LYS A 23 4.272 5.017 8.423 1.00 1.33 C ATOM 341 CG LYS A 23 5.189 5.889 9.298 1.00 2.23 C ATOM 342 CD LYS A 23 6.544 6.124 8.597 1.00 3.84 C ATOM 343 CE LYS A 23 7.527 4.951 8.826 1.00 5.85 C ATOM 344 NZ LYS A 23 7.158 3.704 8.072 1.00 7.08 N ATOM 0 H LYS A 23 4.452 2.855 7.360 1.00 0.92 H new ATOM 0 HA LYS A 23 4.439 3.691 10.102 1.00 1.10 H new ATOM 0 HB2 LYS A 23 4.788 4.745 7.502 1.00 1.33 H new ATOM 0 HB3 LYS A 23 3.386 5.583 8.137 1.00 1.33 H new ATOM 0 HG2 LYS A 23 4.707 6.846 9.499 1.00 2.23 H new ATOM 0 HG3 LYS A 23 5.351 5.404 10.261 1.00 2.23 H new ATOM 0 HD2 LYS A 23 6.381 6.256 7.527 1.00 3.84 H new ATOM 0 HD3 LYS A 23 6.989 7.047 8.968 1.00 3.84 H new ATOM 0 HE2 LYS A 23 8.528 5.263 8.529 1.00 5.85 H new ATOM 0 HE3 LYS A 23 7.567 4.724 9.891 1.00 5.85 H new ATOM 0 HZ1 LYS A 23 8.001 3.106 7.957 1.00 7.08 H new ATOM 0 HZ2 LYS A 23 6.431 3.181 8.601 1.00 7.08 H new ATOM 0 HZ3 LYS A 23 6.786 3.962 7.136 1.00 7.08 H new ATOM 358 N LEU A 24 1.547 3.692 8.563 1.00 0.95 N ATOM 359 CA LEU A 24 0.083 3.685 8.825 1.00 0.99 C ATOM 360 C LEU A 24 -0.254 2.625 9.864 1.00 0.93 C ATOM 361 O LEU A 24 -0.903 2.907 10.852 1.00 1.10 O ATOM 362 CB LEU A 24 -0.673 3.375 7.529 1.00 0.95 C ATOM 363 CG LEU A 24 -0.509 4.529 6.531 1.00 1.29 C ATOM 364 CD1 LEU A 24 -1.076 4.093 5.177 1.00 1.29 C ATOM 365 CD2 LEU A 24 -1.269 5.765 7.028 1.00 1.70 C ATOM 0 H LEU A 24 1.814 3.644 7.580 1.00 0.95 H new ATOM 0 HA LEU A 24 -0.213 4.666 9.197 1.00 0.99 H new ATOM 0 HB2 LEU A 24 -0.296 2.450 7.092 1.00 0.95 H new ATOM 0 HB3 LEU A 24 -1.730 3.218 7.744 1.00 0.95 H new ATOM 0 HG LEU A 24 0.547 4.780 6.433 1.00 1.29 H new ATOM 0 HD11 LEU A 24 -0.966 4.905 4.458 1.00 1.29 H new ATOM 0 HD12 LEU A 24 -0.534 3.217 4.821 1.00 1.29 H new ATOM 0 HD13 LEU A 24 -2.132 3.847 5.287 1.00 1.29 H new ATOM 0 HD21 LEU A 24 -1.147 6.579 6.313 1.00 1.70 H new ATOM 0 HD22 LEU A 24 -2.328 5.525 7.128 1.00 1.70 H new ATOM 0 HD23 LEU A 24 -0.873 6.070 7.997 1.00 1.70 H new ATOM 377 N SER A 25 0.184 1.416 9.621 1.00 0.75 N ATOM 378 CA SER A 25 -0.131 0.336 10.616 1.00 0.79 C ATOM 379 C SER A 25 0.448 0.638 12.012 1.00 1.05 C ATOM 380 O SER A 25 0.057 0.007 12.966 1.00 1.25 O ATOM 381 CB SER A 25 0.387 -1.016 10.111 1.00 0.71 C ATOM 382 OG SER A 25 1.699 -0.768 9.630 1.00 1.72 O ATOM 0 H SER A 25 0.728 1.131 8.807 1.00 0.75 H new ATOM 0 HA SER A 25 -1.216 0.297 10.717 1.00 0.79 H new ATOM 0 HB2 SER A 25 0.397 -1.756 10.912 1.00 0.71 H new ATOM 0 HB3 SER A 25 -0.252 -1.410 9.321 1.00 0.71 H new ATOM 0 HG SER A 25 2.057 0.038 10.057 1.00 1.72 H new ATOM 388 N ASN A 26 1.355 1.587 12.101 1.00 1.19 N ATOM 389 CA ASN A 26 1.953 1.952 13.438 1.00 1.52 C ATOM 390 C ASN A 26 1.619 3.419 13.789 1.00 1.95 C ATOM 391 O ASN A 26 2.272 4.035 14.614 1.00 2.81 O ATOM 392 CB ASN A 26 3.478 1.780 13.374 1.00 1.59 C ATOM 393 CG ASN A 26 4.068 1.883 14.788 1.00 2.06 C ATOM 394 OD1 ASN A 26 3.854 1.026 15.612 1.00 2.23 O ATOM 395 ND2 ASN A 26 4.804 2.906 15.115 1.00 3.41 N ATOM 0 H ASN A 26 1.709 2.125 11.310 1.00 1.19 H new ATOM 0 HA ASN A 26 1.536 1.299 14.205 1.00 1.52 H new ATOM 0 HB2 ASN A 26 3.727 0.814 12.935 1.00 1.59 H new ATOM 0 HB3 ASN A 26 3.914 2.545 12.731 1.00 1.59 H new ATOM 0 HD21 ASN A 26 5.191 2.976 16.056 1.00 3.41 H new ATOM 0 HD22 ASN A 26 4.994 3.638 14.430 1.00 3.41 H new ATOM 402 N GLU A 27 0.634 3.947 13.110 1.00 1.60 N ATOM 403 CA GLU A 27 0.178 5.351 13.343 1.00 1.99 C ATOM 404 C GLU A 27 -1.345 5.372 13.513 1.00 2.12 C ATOM 405 O GLU A 27 -1.890 6.020 14.383 1.00 2.42 O ATOM 406 CB GLU A 27 0.519 6.203 12.115 1.00 2.09 C ATOM 407 CG GLU A 27 2.006 6.579 12.078 1.00 2.82 C ATOM 408 CD GLU A 27 2.299 7.330 10.768 1.00 3.14 C ATOM 409 OE1 GLU A 27 2.155 6.674 9.740 1.00 3.90 O ATOM 410 OE2 GLU A 27 2.641 8.504 10.866 1.00 3.46 O ATOM 0 H GLU A 27 0.114 3.452 12.386 1.00 1.60 H new ATOM 0 HA GLU A 27 0.669 5.741 14.235 1.00 1.99 H new ATOM 0 HB2 GLU A 27 0.260 5.655 11.209 1.00 2.09 H new ATOM 0 HB3 GLU A 27 -0.085 7.110 12.123 1.00 2.09 H new ATOM 0 HG2 GLU A 27 2.258 7.204 12.935 1.00 2.82 H new ATOM 0 HG3 GLU A 27 2.623 5.683 12.145 1.00 2.82 H new ATOM 417 N ARG A 28 -1.990 4.663 12.632 1.00 2.09 N ATOM 418 CA ARG A 28 -3.474 4.595 12.628 1.00 2.28 C ATOM 419 C ARG A 28 -3.973 3.292 13.245 1.00 2.21 C ATOM 420 O ARG A 28 -5.029 3.281 13.839 1.00 2.82 O ATOM 421 CB ARG A 28 -3.938 4.682 11.166 1.00 2.36 C ATOM 422 CG ARG A 28 -3.751 6.117 10.641 1.00 3.12 C ATOM 423 CD ARG A 28 -5.086 6.876 10.716 1.00 2.74 C ATOM 424 NE ARG A 28 -5.647 6.760 12.098 1.00 2.99 N ATOM 425 CZ ARG A 28 -6.723 6.048 12.287 1.00 3.12 C ATOM 426 NH1 ARG A 28 -7.782 6.376 11.615 1.00 3.58 N ATOM 427 NH2 ARG A 28 -6.693 5.040 13.111 1.00 4.04 N ATOM 0 H ARG A 28 -1.539 4.116 11.898 1.00 2.09 H new ATOM 0 HA ARG A 28 -3.877 5.415 13.222 1.00 2.28 H new ATOM 0 HB2 ARG A 28 -3.368 3.984 10.553 1.00 2.36 H new ATOM 0 HB3 ARG A 28 -4.986 4.391 11.090 1.00 2.36 H new ATOM 0 HG2 ARG A 28 -2.994 6.634 11.231 1.00 3.12 H new ATOM 0 HG3 ARG A 28 -3.392 6.094 9.612 1.00 3.12 H new ATOM 0 HD2 ARG A 28 -4.936 7.925 10.460 1.00 2.74 H new ATOM 0 HD3 ARG A 28 -5.790 6.468 9.991 1.00 2.74 H new ATOM 0 HE ARG A 28 -5.194 7.231 12.881 1.00 2.99 H new ATOM 0 HH11 ARG A 28 -7.752 7.164 10.969 1.00 3.58 H new ATOM 0 HH12 ARG A 28 -8.645 5.846 11.733 1.00 3.58 H new ATOM 0 HH21 ARG A 28 -5.831 4.811 13.605 1.00 4.04 H new ATOM 0 HH22 ARG A 28 -7.532 4.480 13.262 1.00 4.04 H new ATOM 441 N ASP A 29 -3.249 2.229 12.993 1.00 2.94 N ATOM 442 CA ASP A 29 -3.607 0.864 13.528 1.00 3.02 C ATOM 443 C ASP A 29 -4.747 0.255 12.713 1.00 2.42 C ATOM 444 O ASP A 29 -4.675 -0.900 12.332 1.00 2.37 O ATOM 445 CB ASP A 29 -3.975 0.908 15.021 1.00 3.84 C ATOM 446 CG ASP A 29 -2.702 1.154 15.834 1.00 5.50 C ATOM 447 OD1 ASP A 29 -1.984 0.183 16.005 1.00 6.40 O ATOM 448 OD2 ASP A 29 -2.493 2.299 16.207 1.00 6.40 O ATOM 0 H ASP A 29 -2.402 2.245 12.425 1.00 2.94 H new ATOM 0 HA ASP A 29 -2.724 0.233 13.430 1.00 3.02 H new ATOM 0 HB2 ASP A 29 -4.701 1.699 15.208 1.00 3.84 H new ATOM 0 HB3 ASP A 29 -4.441 -0.030 15.323 1.00 3.84 H new ATOM 453 N ASP A 30 -5.721 1.060 12.357 1.00 2.70 N ATOM 454 CA ASP A 30 -6.862 0.524 11.541 1.00 2.76 C ATOM 455 C ASP A 30 -6.393 0.264 10.102 1.00 2.37 C ATOM 456 O ASP A 30 -7.184 0.127 9.185 1.00 2.83 O ATOM 457 CB ASP A 30 -8.000 1.559 11.500 1.00 3.70 C ATOM 458 CG ASP A 30 -8.534 1.819 12.906 1.00 5.12 C ATOM 459 OD1 ASP A 30 -8.954 0.851 13.514 1.00 5.36 O ATOM 460 OD2 ASP A 30 -8.500 2.979 13.282 1.00 6.59 O ATOM 0 H ASP A 30 -5.777 2.051 12.591 1.00 2.70 H new ATOM 0 HA ASP A 30 -7.213 -0.403 11.994 1.00 2.76 H new ATOM 0 HB2 ASP A 30 -7.638 2.490 11.064 1.00 3.70 H new ATOM 0 HB3 ASP A 30 -8.805 1.199 10.859 1.00 3.70 H new ATOM 465 N PHE A 31 -5.101 0.191 9.946 1.00 1.91 N ATOM 466 CA PHE A 31 -4.503 -0.057 8.622 1.00 1.48 C ATOM 467 C PHE A 31 -3.568 -1.273 8.696 1.00 1.28 C ATOM 468 O PHE A 31 -2.618 -1.293 9.458 1.00 1.21 O ATOM 469 CB PHE A 31 -3.714 1.184 8.206 1.00 1.46 C ATOM 470 CG PHE A 31 -3.001 0.888 6.889 1.00 1.08 C ATOM 471 CD1 PHE A 31 -1.761 0.290 6.895 1.00 0.83 C ATOM 472 CD2 PHE A 31 -3.615 1.145 5.683 1.00 1.13 C ATOM 473 CE1 PHE A 31 -1.145 -0.049 5.718 1.00 0.72 C ATOM 474 CE2 PHE A 31 -3.005 0.805 4.503 1.00 1.06 C ATOM 475 CZ PHE A 31 -1.764 0.205 4.516 1.00 0.92 C ATOM 0 H PHE A 31 -4.426 0.296 10.703 1.00 1.91 H new ATOM 0 HA PHE A 31 -5.284 -0.262 7.890 1.00 1.48 H new ATOM 0 HB2 PHE A 31 -4.383 2.037 8.091 1.00 1.46 H new ATOM 0 HB3 PHE A 31 -2.990 1.448 8.977 1.00 1.46 H new ATOM 0 HD1 PHE A 31 -1.269 0.086 7.835 1.00 0.83 H new ATOM 0 HD2 PHE A 31 -4.586 1.619 5.667 1.00 1.13 H new ATOM 0 HE1 PHE A 31 -0.172 -0.517 5.735 1.00 0.72 H new ATOM 0 HE2 PHE A 31 -3.497 1.007 3.563 1.00 1.06 H new ATOM 0 HZ PHE A 31 -1.281 -0.064 3.588 1.00 0.92 H new ATOM 485 N GLN A 32 -3.877 -2.261 7.898 1.00 1.31 N ATOM 486 CA GLN A 32 -3.048 -3.502 7.848 1.00 1.18 C ATOM 487 C GLN A 32 -2.691 -3.754 6.375 1.00 0.99 C ATOM 488 O GLN A 32 -3.496 -3.500 5.489 1.00 1.39 O ATOM 489 CB GLN A 32 -3.850 -4.681 8.429 1.00 1.49 C ATOM 490 CG GLN A 32 -4.254 -4.379 9.890 1.00 1.94 C ATOM 491 CD GLN A 32 -3.001 -4.140 10.747 1.00 3.50 C ATOM 492 OE1 GLN A 32 -2.038 -4.877 10.673 1.00 4.35 O ATOM 493 NE2 GLN A 32 -2.955 -3.131 11.566 1.00 4.73 N ATOM 0 H GLN A 32 -4.680 -2.261 7.270 1.00 1.31 H new ATOM 0 HA GLN A 32 -2.138 -3.396 8.439 1.00 1.18 H new ATOM 0 HB2 GLN A 32 -4.741 -4.857 7.826 1.00 1.49 H new ATOM 0 HB3 GLN A 32 -3.253 -5.592 8.389 1.00 1.49 H new ATOM 0 HG2 GLN A 32 -4.899 -3.501 9.923 1.00 1.94 H new ATOM 0 HG3 GLN A 32 -4.828 -5.212 10.296 1.00 1.94 H new ATOM 0 HE21 GLN A 32 -3.753 -2.500 11.643 1.00 4.73 H new ATOM 0 HE22 GLN A 32 -2.121 -2.970 12.131 1.00 4.73 H new ATOM 502 N TYR A 33 -1.506 -4.252 6.123 1.00 0.72 N ATOM 503 CA TYR A 33 -1.084 -4.477 4.704 1.00 0.64 C ATOM 504 C TYR A 33 -0.215 -5.724 4.536 1.00 0.76 C ATOM 505 O TYR A 33 0.130 -6.388 5.488 1.00 0.99 O ATOM 506 CB TYR A 33 -0.261 -3.269 4.254 1.00 0.64 C ATOM 507 CG TYR A 33 0.991 -3.172 5.130 1.00 0.61 C ATOM 508 CD1 TYR A 33 0.890 -2.738 6.433 1.00 0.88 C ATOM 509 CD2 TYR A 33 2.230 -3.540 4.639 1.00 0.70 C ATOM 510 CE1 TYR A 33 2.001 -2.670 7.231 1.00 1.09 C ATOM 511 CE2 TYR A 33 3.346 -3.469 5.446 1.00 0.94 C ATOM 512 CZ TYR A 33 3.234 -3.027 6.750 1.00 1.09 C ATOM 513 OH TYR A 33 4.338 -2.918 7.562 1.00 1.45 O ATOM 0 H TYR A 33 -0.818 -4.511 6.830 1.00 0.72 H new ATOM 0 HA TYR A 33 -1.987 -4.613 4.109 1.00 0.64 H new ATOM 0 HB2 TYR A 33 0.019 -3.372 3.206 1.00 0.64 H new ATOM 0 HB3 TYR A 33 -0.852 -2.357 4.338 1.00 0.64 H new ATOM 0 HD1 TYR A 33 -0.073 -2.449 6.829 1.00 0.88 H new ATOM 0 HD2 TYR A 33 2.324 -3.884 3.620 1.00 0.70 H new ATOM 0 HE1 TYR A 33 1.904 -2.331 8.252 1.00 1.09 H new ATOM 0 HE2 TYR A 33 4.311 -3.760 5.057 1.00 0.94 H new ATOM 0 HH TYR A 33 5.135 -3.211 7.072 1.00 1.45 H new ATOM 523 N GLN A 34 0.098 -5.985 3.299 1.00 0.67 N ATOM 524 CA GLN A 34 0.978 -7.122 2.914 1.00 0.79 C ATOM 525 C GLN A 34 1.954 -6.584 1.858 1.00 0.68 C ATOM 526 O GLN A 34 1.567 -5.798 1.000 1.00 0.61 O ATOM 527 CB GLN A 34 0.121 -8.258 2.327 1.00 0.90 C ATOM 528 CG GLN A 34 1.006 -9.325 1.639 1.00 1.18 C ATOM 529 CD GLN A 34 1.974 -9.956 2.647 1.00 1.83 C ATOM 530 OE1 GLN A 34 1.586 -10.394 3.705 1.00 2.84 O ATOM 531 NE2 GLN A 34 3.240 -10.042 2.362 1.00 2.89 N ATOM 0 H GLN A 34 -0.234 -5.434 2.508 1.00 0.67 H new ATOM 0 HA GLN A 34 1.520 -7.520 3.772 1.00 0.79 H new ATOM 0 HB2 GLN A 34 -0.464 -8.723 3.120 1.00 0.90 H new ATOM 0 HB3 GLN A 34 -0.587 -7.849 1.606 1.00 0.90 H new ATOM 0 HG2 GLN A 34 0.376 -10.098 1.198 1.00 1.18 H new ATOM 0 HG3 GLN A 34 1.568 -8.869 0.824 1.00 1.18 H new ATOM 0 HE21 GLN A 34 3.589 -9.679 1.475 1.00 2.89 H new ATOM 0 HE22 GLN A 34 3.884 -10.473 3.026 1.00 2.89 H new ATOM 540 N TYR A 35 3.182 -7.013 1.910 1.00 0.75 N ATOM 541 CA TYR A 35 4.140 -6.510 0.889 1.00 0.73 C ATOM 542 C TYR A 35 4.267 -7.565 -0.198 1.00 0.68 C ATOM 543 O TYR A 35 4.255 -8.747 0.092 1.00 0.84 O ATOM 544 CB TYR A 35 5.517 -6.252 1.520 1.00 0.90 C ATOM 545 CG TYR A 35 6.452 -5.674 0.444 1.00 0.93 C ATOM 546 CD1 TYR A 35 7.030 -6.502 -0.497 1.00 1.12 C ATOM 547 CD2 TYR A 35 6.678 -4.312 0.352 1.00 1.04 C ATOM 548 CE1 TYR A 35 7.804 -5.985 -1.511 1.00 1.21 C ATOM 549 CE2 TYR A 35 7.457 -3.794 -0.670 1.00 1.17 C ATOM 550 CZ TYR A 35 8.022 -4.627 -1.607 1.00 1.17 C ATOM 551 OH TYR A 35 8.789 -4.133 -2.628 1.00 1.36 O ATOM 0 H TYR A 35 3.557 -7.671 2.594 1.00 0.75 H new ATOM 0 HA TYR A 35 3.775 -5.571 0.474 1.00 0.73 H new ATOM 0 HB2 TYR A 35 5.426 -5.557 2.355 1.00 0.90 H new ATOM 0 HB3 TYR A 35 5.929 -7.178 1.920 1.00 0.90 H new ATOM 0 HD1 TYR A 35 6.873 -7.569 -0.437 1.00 1.12 H new ATOM 0 HD2 TYR A 35 6.243 -3.647 1.083 1.00 1.04 H new ATOM 0 HE1 TYR A 35 8.245 -6.650 -2.239 1.00 1.21 H new ATOM 0 HE2 TYR A 35 7.622 -2.728 -0.731 1.00 1.17 H new ATOM 0 HH TYR A 35 8.913 -4.827 -3.309 1.00 1.36 H new ATOM 561 N VAL A 36 4.360 -7.117 -1.417 1.00 0.56 N ATOM 562 CA VAL A 36 4.501 -8.052 -2.555 1.00 0.54 C ATOM 563 C VAL A 36 5.660 -7.563 -3.428 1.00 0.61 C ATOM 564 O VAL A 36 5.884 -6.370 -3.542 1.00 0.75 O ATOM 565 CB VAL A 36 3.152 -8.069 -3.307 1.00 0.44 C ATOM 566 CG1 VAL A 36 3.357 -8.261 -4.814 1.00 0.43 C ATOM 567 CG2 VAL A 36 2.301 -9.230 -2.777 1.00 0.48 C ATOM 0 H VAL A 36 4.344 -6.130 -1.672 1.00 0.56 H new ATOM 0 HA VAL A 36 4.730 -9.071 -2.243 1.00 0.54 H new ATOM 0 HB VAL A 36 2.655 -7.113 -3.142 1.00 0.44 H new ATOM 0 HG11 VAL A 36 2.389 -8.269 -5.315 1.00 0.43 H new ATOM 0 HG12 VAL A 36 3.962 -7.443 -5.206 1.00 0.43 H new ATOM 0 HG13 VAL A 36 3.866 -9.208 -4.994 1.00 0.43 H new ATOM 0 HG21 VAL A 36 1.346 -9.250 -3.302 1.00 0.48 H new ATOM 0 HG22 VAL A 36 2.826 -10.171 -2.942 1.00 0.48 H new ATOM 0 HG23 VAL A 36 2.125 -9.095 -1.710 1.00 0.48 H new ATOM 577 N ASP A 37 6.337 -8.491 -4.041 1.00 0.57 N ATOM 578 CA ASP A 37 7.499 -8.150 -4.920 1.00 0.66 C ATOM 579 C ASP A 37 7.118 -8.495 -6.357 1.00 0.63 C ATOM 580 O ASP A 37 6.746 -9.621 -6.671 1.00 0.99 O ATOM 581 CB ASP A 37 8.730 -8.984 -4.510 1.00 0.80 C ATOM 582 CG ASP A 37 9.969 -8.628 -5.347 1.00 0.95 C ATOM 583 OD1 ASP A 37 9.835 -7.827 -6.261 1.00 1.52 O ATOM 584 OD2 ASP A 37 11.009 -9.184 -5.029 1.00 1.99 O ATOM 0 H ASP A 37 6.135 -9.488 -3.972 1.00 0.57 H new ATOM 0 HA ASP A 37 7.742 -7.092 -4.826 1.00 0.66 H new ATOM 0 HB2 ASP A 37 8.945 -8.818 -3.454 1.00 0.80 H new ATOM 0 HB3 ASP A 37 8.505 -10.044 -4.627 1.00 0.80 H new ATOM 589 N ILE A 38 7.205 -7.519 -7.206 1.00 0.76 N ATOM 590 CA ILE A 38 6.871 -7.770 -8.633 1.00 0.89 C ATOM 591 C ILE A 38 7.698 -8.952 -9.170 1.00 0.86 C ATOM 592 O ILE A 38 7.257 -9.637 -10.076 1.00 1.05 O ATOM 593 CB ILE A 38 7.134 -6.491 -9.445 1.00 1.20 C ATOM 594 CG1 ILE A 38 8.446 -5.853 -8.974 1.00 1.53 C ATOM 595 CG2 ILE A 38 5.970 -5.512 -9.214 1.00 1.10 C ATOM 596 CD1 ILE A 38 8.931 -4.828 -10.006 1.00 1.92 C ATOM 0 H ILE A 38 7.490 -6.566 -6.981 1.00 0.76 H new ATOM 0 HA ILE A 38 5.817 -8.033 -8.726 1.00 0.89 H new ATOM 0 HB ILE A 38 7.211 -6.729 -10.506 1.00 1.20 H new ATOM 0 HG12 ILE A 38 8.298 -5.368 -8.009 1.00 1.53 H new ATOM 0 HG13 ILE A 38 9.204 -6.623 -8.831 1.00 1.53 H new ATOM 0 HG21 ILE A 38 6.143 -4.599 -9.784 1.00 1.10 H new ATOM 0 HG22 ILE A 38 5.037 -5.972 -9.540 1.00 1.10 H new ATOM 0 HG23 ILE A 38 5.903 -5.270 -8.153 1.00 1.10 H new ATOM 0 HD11 ILE A 38 9.864 -4.380 -9.663 1.00 1.92 H new ATOM 0 HD12 ILE A 38 9.097 -5.325 -10.962 1.00 1.92 H new ATOM 0 HD13 ILE A 38 8.178 -4.050 -10.128 1.00 1.92 H new ATOM 608 N ARG A 39 8.840 -9.180 -8.553 1.00 0.84 N ATOM 609 CA ARG A 39 9.737 -10.289 -8.981 1.00 0.95 C ATOM 610 C ARG A 39 9.392 -11.608 -8.264 1.00 0.90 C ATOM 611 O ARG A 39 10.154 -12.559 -8.346 1.00 1.28 O ATOM 612 CB ARG A 39 11.177 -9.871 -8.637 1.00 1.16 C ATOM 613 CG ARG A 39 12.186 -10.810 -9.316 1.00 2.03 C ATOM 614 CD ARG A 39 12.937 -11.639 -8.259 1.00 3.04 C ATOM 615 NE ARG A 39 13.660 -12.762 -8.948 1.00 3.98 N ATOM 616 CZ ARG A 39 13.446 -13.998 -8.581 1.00 5.40 C ATOM 617 NH1 ARG A 39 12.220 -14.374 -8.350 1.00 6.06 N ATOM 618 NH2 ARG A 39 14.464 -14.800 -8.450 1.00 6.67 N ATOM 0 H ARG A 39 9.185 -8.634 -7.763 1.00 0.84 H new ATOM 0 HA ARG A 39 9.617 -10.464 -10.050 1.00 0.95 H new ATOM 0 HB2 ARG A 39 11.351 -8.845 -8.961 1.00 1.16 H new ATOM 0 HB3 ARG A 39 11.320 -9.893 -7.557 1.00 1.16 H new ATOM 0 HG2 ARG A 39 11.667 -11.474 -10.008 1.00 2.03 H new ATOM 0 HG3 ARG A 39 12.896 -10.228 -9.904 1.00 2.03 H new ATOM 0 HD2 ARG A 39 13.645 -11.010 -7.719 1.00 3.04 H new ATOM 0 HD3 ARG A 39 12.237 -12.036 -7.524 1.00 3.04 H new ATOM 0 HE ARG A 39 14.317 -12.560 -9.701 1.00 3.98 H new ATOM 0 HH11 ARG A 39 11.454 -13.709 -8.457 1.00 6.06 H new ATOM 0 HH12 ARG A 39 12.026 -15.333 -8.062 1.00 6.06 H new ATOM 0 HH21 ARG A 39 15.408 -14.460 -8.633 1.00 6.67 H new ATOM 0 HH22 ARG A 39 14.317 -15.768 -8.164 1.00 6.67 H new ATOM 632 N ALA A 40 8.272 -11.650 -7.587 1.00 1.17 N ATOM 633 CA ALA A 40 7.851 -12.897 -6.866 1.00 1.42 C ATOM 634 C ALA A 40 6.573 -13.445 -7.503 1.00 1.53 C ATOM 635 O ALA A 40 6.502 -14.605 -7.870 1.00 1.79 O ATOM 636 CB ALA A 40 7.577 -12.568 -5.394 1.00 1.51 C ATOM 0 H ALA A 40 7.623 -10.868 -7.501 1.00 1.17 H new ATOM 0 HA ALA A 40 8.645 -13.641 -6.934 1.00 1.42 H new ATOM 0 HB1 ALA A 40 7.271 -13.473 -4.870 1.00 1.51 H new ATOM 0 HB2 ALA A 40 8.483 -12.171 -4.935 1.00 1.51 H new ATOM 0 HB3 ALA A 40 6.782 -11.825 -5.329 1.00 1.51 H new ATOM 642 N GLU A 41 5.615 -12.568 -7.638 1.00 1.41 N ATOM 643 CA GLU A 41 4.307 -12.956 -8.246 1.00 1.62 C ATOM 644 C GLU A 41 4.474 -13.131 -9.758 1.00 1.69 C ATOM 645 O GLU A 41 3.792 -13.932 -10.372 1.00 2.05 O ATOM 646 CB GLU A 41 3.280 -11.848 -7.946 1.00 1.56 C ATOM 647 CG GLU A 41 2.567 -12.114 -6.602 1.00 1.90 C ATOM 648 CD GLU A 41 3.571 -12.453 -5.491 1.00 1.55 C ATOM 649 OE1 GLU A 41 3.857 -13.631 -5.364 1.00 2.78 O ATOM 650 OE2 GLU A 41 3.994 -11.516 -4.836 1.00 2.39 O ATOM 0 H GLU A 41 5.682 -11.591 -7.351 1.00 1.41 H new ATOM 0 HA GLU A 41 3.960 -13.900 -7.825 1.00 1.62 H new ATOM 0 HB2 GLU A 41 3.781 -10.880 -7.912 1.00 1.56 H new ATOM 0 HB3 GLU A 41 2.545 -11.799 -8.750 1.00 1.56 H new ATOM 0 HG2 GLU A 41 1.988 -11.236 -6.316 1.00 1.90 H new ATOM 0 HG3 GLU A 41 1.861 -12.936 -6.720 1.00 1.90 H new ATOM 657 N GLY A 42 5.358 -12.350 -10.329 1.00 1.48 N ATOM 658 CA GLY A 42 5.607 -12.459 -11.801 1.00 1.60 C ATOM 659 C GLY A 42 4.861 -11.376 -12.569 1.00 1.67 C ATOM 660 O GLY A 42 4.249 -11.649 -13.582 1.00 1.95 O ATOM 0 H GLY A 42 5.915 -11.646 -9.844 1.00 1.48 H new ATOM 0 HA2 GLY A 42 6.676 -12.377 -11.998 1.00 1.60 H new ATOM 0 HA3 GLY A 42 5.292 -13.441 -12.154 1.00 1.60 H new ATOM 664 N ILE A 43 4.953 -10.164 -12.100 1.00 1.51 N ATOM 665 CA ILE A 43 4.234 -9.069 -12.817 1.00 1.66 C ATOM 666 C ILE A 43 5.257 -8.105 -13.408 1.00 1.79 C ATOM 667 O ILE A 43 6.305 -7.873 -12.826 1.00 1.86 O ATOM 668 CB ILE A 43 3.321 -8.298 -11.847 1.00 1.60 C ATOM 669 CG1 ILE A 43 2.447 -9.278 -11.047 1.00 1.67 C ATOM 670 CG2 ILE A 43 2.405 -7.391 -12.680 1.00 1.74 C ATOM 671 CD1 ILE A 43 1.621 -8.510 -10.006 1.00 1.92 C ATOM 0 H ILE A 43 5.480 -9.885 -11.272 1.00 1.51 H new ATOM 0 HA ILE A 43 3.623 -9.506 -13.607 1.00 1.66 H new ATOM 0 HB ILE A 43 3.929 -7.717 -11.154 1.00 1.60 H new ATOM 0 HG12 ILE A 43 1.785 -9.822 -11.721 1.00 1.67 H new ATOM 0 HG13 ILE A 43 3.075 -10.018 -10.552 1.00 1.67 H new ATOM 0 HG21 ILE A 43 1.746 -6.832 -12.016 1.00 1.74 H new ATOM 0 HG22 ILE A 43 3.012 -6.695 -13.260 1.00 1.74 H new ATOM 0 HG23 ILE A 43 1.806 -8.001 -13.356 1.00 1.74 H new ATOM 0 HD11 ILE A 43 1.004 -9.210 -9.443 1.00 1.92 H new ATOM 0 HD12 ILE A 43 2.291 -7.987 -9.324 1.00 1.92 H new ATOM 0 HD13 ILE A 43 0.980 -7.787 -10.511 1.00 1.92 H new ATOM 683 N THR A 44 4.921 -7.535 -14.529 1.00 2.03 N ATOM 684 CA THR A 44 5.867 -6.579 -15.167 1.00 2.34 C ATOM 685 C THR A 44 5.374 -5.133 -14.970 1.00 2.59 C ATOM 686 O THR A 44 5.570 -4.539 -13.921 1.00 3.51 O ATOM 687 CB THR A 44 5.978 -6.939 -16.660 1.00 2.70 C ATOM 688 OG1 THR A 44 4.663 -6.848 -17.203 1.00 2.92 O ATOM 689 CG2 THR A 44 6.378 -8.403 -16.829 1.00 2.52 C ATOM 0 H THR A 44 4.044 -7.686 -15.027 1.00 2.03 H new ATOM 0 HA THR A 44 6.852 -6.649 -14.706 1.00 2.34 H new ATOM 0 HB THR A 44 6.706 -6.282 -17.135 1.00 2.70 H new ATOM 0 HG1 THR A 44 4.115 -7.583 -16.857 1.00 2.92 H new ATOM 0 HG21 THR A 44 6.452 -8.640 -17.890 1.00 2.52 H new ATOM 0 HG22 THR A 44 7.343 -8.574 -16.351 1.00 2.52 H new ATOM 0 HG23 THR A 44 5.626 -9.042 -16.366 1.00 2.52 H new ATOM 697 N LYS A 45 4.752 -4.606 -15.984 1.00 2.20 N ATOM 698 CA LYS A 45 4.217 -3.216 -15.938 1.00 2.38 C ATOM 699 C LYS A 45 2.875 -3.231 -16.660 1.00 2.51 C ATOM 700 O LYS A 45 1.837 -2.955 -16.082 1.00 2.59 O ATOM 701 CB LYS A 45 5.229 -2.293 -16.642 1.00 2.66 C ATOM 702 CG LYS A 45 4.628 -0.906 -16.919 1.00 3.30 C ATOM 703 CD LYS A 45 5.598 -0.125 -17.830 1.00 3.82 C ATOM 704 CE LYS A 45 4.854 1.015 -18.534 1.00 4.73 C ATOM 705 NZ LYS A 45 4.192 1.915 -17.549 1.00 5.53 N ATOM 0 H LYS A 45 4.587 -5.092 -16.866 1.00 2.20 H new ATOM 0 HA LYS A 45 4.074 -2.853 -14.920 1.00 2.38 H new ATOM 0 HB2 LYS A 45 6.119 -2.188 -16.022 1.00 2.66 H new ATOM 0 HB3 LYS A 45 5.546 -2.748 -17.581 1.00 2.66 H new ATOM 0 HG2 LYS A 45 3.654 -1.004 -17.399 1.00 3.30 H new ATOM 0 HG3 LYS A 45 4.470 -0.368 -15.984 1.00 3.30 H new ATOM 0 HD2 LYS A 45 6.421 0.277 -17.239 1.00 3.82 H new ATOM 0 HD3 LYS A 45 6.035 -0.796 -18.569 1.00 3.82 H new ATOM 0 HE2 LYS A 45 5.554 1.589 -19.142 1.00 4.73 H new ATOM 0 HE3 LYS A 45 4.107 0.602 -19.212 1.00 4.73 H new ATOM 0 HZ1 LYS A 45 3.168 1.936 -17.731 1.00 5.53 H new ATOM 0 HZ2 LYS A 45 4.365 1.563 -16.586 1.00 5.53 H new ATOM 0 HZ3 LYS A 45 4.580 2.876 -17.641 1.00 5.53 H new ATOM 719 N GLU A 46 2.939 -3.544 -17.922 1.00 2.84 N ATOM 720 CA GLU A 46 1.699 -3.618 -18.749 1.00 3.05 C ATOM 721 C GLU A 46 0.619 -4.382 -17.975 1.00 2.73 C ATOM 722 O GLU A 46 -0.547 -4.026 -18.016 1.00 2.63 O ATOM 723 CB GLU A 46 2.052 -4.310 -20.078 1.00 3.50 C ATOM 724 CG GLU A 46 2.919 -3.382 -20.974 1.00 4.04 C ATOM 725 CD GLU A 46 3.879 -2.521 -20.145 1.00 4.81 C ATOM 726 OE1 GLU A 46 3.426 -1.472 -19.731 1.00 5.86 O ATOM 727 OE2 GLU A 46 4.990 -2.977 -19.933 1.00 4.84 O ATOM 0 H GLU A 46 3.803 -3.754 -18.422 1.00 2.84 H new ATOM 0 HA GLU A 46 1.306 -2.625 -18.966 1.00 3.05 H new ATOM 0 HB2 GLU A 46 2.591 -5.236 -19.878 1.00 3.50 H new ATOM 0 HB3 GLU A 46 1.137 -4.581 -20.606 1.00 3.50 H new ATOM 0 HG2 GLU A 46 3.490 -3.987 -21.678 1.00 4.04 H new ATOM 0 HG3 GLU A 46 2.269 -2.736 -21.564 1.00 4.04 H new ATOM 734 N ASP A 47 1.040 -5.427 -17.304 1.00 2.65 N ATOM 735 CA ASP A 47 0.078 -6.223 -16.492 1.00 2.44 C ATOM 736 C ASP A 47 -0.595 -5.295 -15.489 1.00 2.17 C ATOM 737 O ASP A 47 -1.766 -5.036 -15.582 1.00 2.34 O ATOM 738 CB ASP A 47 0.832 -7.298 -15.704 1.00 2.38 C ATOM 739 CG ASP A 47 1.665 -8.178 -16.624 1.00 3.86 C ATOM 740 OD1 ASP A 47 1.195 -8.472 -17.712 1.00 4.91 O ATOM 741 OD2 ASP A 47 2.743 -8.516 -16.162 1.00 4.79 O ATOM 0 H ASP A 47 2.004 -5.759 -17.286 1.00 2.65 H new ATOM 0 HA ASP A 47 -0.654 -6.687 -17.152 1.00 2.44 H new ATOM 0 HB2 ASP A 47 1.480 -6.824 -14.967 1.00 2.38 H new ATOM 0 HB3 ASP A 47 0.121 -7.914 -15.154 1.00 2.38 H new ATOM 746 N LEU A 48 0.191 -4.817 -14.555 1.00 1.86 N ATOM 747 CA LEU A 48 -0.342 -3.890 -13.501 1.00 1.68 C ATOM 748 C LEU A 48 -1.390 -2.959 -14.108 1.00 1.77 C ATOM 749 O LEU A 48 -2.509 -2.858 -13.623 1.00 1.68 O ATOM 750 CB LEU A 48 0.822 -3.065 -12.934 1.00 1.74 C ATOM 751 CG LEU A 48 1.867 -4.000 -12.298 1.00 1.61 C ATOM 752 CD1 LEU A 48 3.151 -3.223 -12.006 1.00 1.83 C ATOM 753 CD2 LEU A 48 1.322 -4.568 -10.982 1.00 1.40 C ATOM 0 H LEU A 48 1.185 -5.029 -14.475 1.00 1.86 H new ATOM 0 HA LEU A 48 -0.809 -4.468 -12.704 1.00 1.68 H new ATOM 0 HB2 LEU A 48 1.283 -2.477 -13.728 1.00 1.74 H new ATOM 0 HB3 LEU A 48 0.451 -2.360 -12.190 1.00 1.74 H new ATOM 0 HG LEU A 48 2.079 -4.813 -12.992 1.00 1.61 H new ATOM 0 HD11 LEU A 48 3.886 -3.891 -11.556 1.00 1.83 H new ATOM 0 HD12 LEU A 48 3.550 -2.817 -12.936 1.00 1.83 H new ATOM 0 HD13 LEU A 48 2.933 -2.406 -11.318 1.00 1.83 H new ATOM 0 HD21 LEU A 48 2.065 -5.229 -10.536 1.00 1.40 H new ATOM 0 HD22 LEU A 48 1.105 -3.750 -10.295 1.00 1.40 H new ATOM 0 HD23 LEU A 48 0.408 -5.129 -11.179 1.00 1.40 H new ATOM 765 N GLN A 49 -0.992 -2.337 -15.192 1.00 2.03 N ATOM 766 CA GLN A 49 -1.911 -1.399 -15.909 1.00 2.18 C ATOM 767 C GLN A 49 -3.245 -2.085 -16.221 1.00 2.12 C ATOM 768 O GLN A 49 -4.285 -1.700 -15.714 1.00 1.94 O ATOM 769 CB GLN A 49 -1.240 -0.948 -17.217 1.00 2.64 C ATOM 770 CG GLN A 49 -0.032 -0.060 -16.878 1.00 3.25 C ATOM 771 CD GLN A 49 0.707 0.400 -18.144 1.00 4.20 C ATOM 772 OE1 GLN A 49 1.556 1.273 -18.086 1.00 5.45 O ATOM 773 NE2 GLN A 49 0.440 -0.147 -19.296 1.00 4.34 N ATOM 0 H GLN A 49 -0.068 -2.439 -15.612 1.00 2.03 H new ATOM 0 HA GLN A 49 -2.110 -0.536 -15.274 1.00 2.18 H new ATOM 0 HB2 GLN A 49 -0.920 -1.815 -17.795 1.00 2.64 H new ATOM 0 HB3 GLN A 49 -1.950 -0.398 -17.835 1.00 2.64 H new ATOM 0 HG2 GLN A 49 -0.367 0.811 -16.315 1.00 3.25 H new ATOM 0 HG3 GLN A 49 0.655 -0.610 -16.235 1.00 3.25 H new ATOM 0 HE21 GLN A 49 -0.268 -0.879 -19.361 1.00 4.34 H new ATOM 0 HE22 GLN A 49 0.939 0.156 -20.132 1.00 4.34 H new ATOM 782 N GLN A 50 -3.182 -3.127 -17.010 1.00 2.41 N ATOM 783 CA GLN A 50 -4.434 -3.858 -17.385 1.00 2.63 C ATOM 784 C GLN A 50 -5.170 -4.369 -16.141 1.00 2.28 C ATOM 785 O GLN A 50 -6.370 -4.233 -16.017 1.00 2.33 O ATOM 786 CB GLN A 50 -4.047 -5.042 -18.285 1.00 3.14 C ATOM 787 CG GLN A 50 -3.587 -4.505 -19.647 1.00 4.74 C ATOM 788 CD GLN A 50 -2.769 -5.577 -20.371 1.00 5.69 C ATOM 789 OE1 GLN A 50 -3.295 -6.491 -20.968 1.00 5.97 O ATOM 790 NE2 GLN A 50 -1.473 -5.511 -20.312 1.00 6.78 N ATOM 0 H GLN A 50 -2.323 -3.503 -17.410 1.00 2.41 H new ATOM 0 HA GLN A 50 -5.105 -3.178 -17.911 1.00 2.63 H new ATOM 0 HB2 GLN A 50 -3.250 -5.623 -17.821 1.00 3.14 H new ATOM 0 HB3 GLN A 50 -4.897 -5.712 -18.412 1.00 3.14 H new ATOM 0 HG2 GLN A 50 -4.451 -4.224 -20.249 1.00 4.74 H new ATOM 0 HG3 GLN A 50 -2.987 -3.605 -19.511 1.00 4.74 H new ATOM 0 HE21 GLN A 50 -1.024 -4.744 -19.811 1.00 6.78 H new ATOM 0 HE22 GLN A 50 -0.905 -6.226 -20.767 1.00 6.78 H new ATOM 799 N LYS A 51 -4.423 -4.944 -15.247 1.00 2.06 N ATOM 800 CA LYS A 51 -5.015 -5.499 -13.997 1.00 2.02 C ATOM 801 C LYS A 51 -5.678 -4.390 -13.178 1.00 1.69 C ATOM 802 O LYS A 51 -6.583 -4.648 -12.405 1.00 1.97 O ATOM 803 CB LYS A 51 -3.901 -6.150 -13.161 1.00 2.09 C ATOM 804 CG LYS A 51 -4.385 -7.500 -12.599 1.00 2.41 C ATOM 805 CD LYS A 51 -4.068 -7.608 -11.095 1.00 2.16 C ATOM 806 CE LYS A 51 -4.849 -6.554 -10.292 1.00 2.83 C ATOM 807 NZ LYS A 51 -6.308 -6.611 -10.611 1.00 3.56 N ATOM 0 H LYS A 51 -3.412 -5.056 -15.328 1.00 2.06 H new ATOM 0 HA LYS A 51 -5.771 -6.239 -14.261 1.00 2.02 H new ATOM 0 HB2 LYS A 51 -3.014 -6.300 -13.776 1.00 2.09 H new ATOM 0 HB3 LYS A 51 -3.614 -5.488 -12.344 1.00 2.09 H new ATOM 0 HG2 LYS A 51 -5.459 -7.602 -12.758 1.00 2.41 H new ATOM 0 HG3 LYS A 51 -3.904 -8.317 -13.137 1.00 2.41 H new ATOM 0 HD2 LYS A 51 -4.322 -8.606 -10.737 1.00 2.16 H new ATOM 0 HD3 LYS A 51 -2.998 -7.474 -10.934 1.00 2.16 H new ATOM 0 HE2 LYS A 51 -4.700 -6.720 -9.225 1.00 2.83 H new ATOM 0 HE3 LYS A 51 -4.462 -5.560 -10.517 1.00 2.83 H new ATOM 0 HZ1 LYS A 51 -6.857 -6.313 -9.779 1.00 3.56 H new ATOM 0 HZ2 LYS A 51 -6.514 -5.975 -11.408 1.00 3.56 H new ATOM 0 HZ3 LYS A 51 -6.569 -7.584 -10.868 1.00 3.56 H new ATOM 821 N ALA A 52 -5.161 -3.209 -13.306 1.00 1.40 N ATOM 822 CA ALA A 52 -5.738 -2.066 -12.557 1.00 1.40 C ATOM 823 C ALA A 52 -6.958 -1.512 -13.282 1.00 1.62 C ATOM 824 O ALA A 52 -8.038 -1.423 -12.731 1.00 2.07 O ATOM 825 CB ALA A 52 -4.674 -0.971 -12.471 1.00 1.48 C ATOM 0 H ALA A 52 -4.362 -2.983 -13.898 1.00 1.40 H new ATOM 0 HA ALA A 52 -6.043 -2.398 -11.564 1.00 1.40 H new ATOM 0 HB1 ALA A 52 -5.074 -0.117 -11.924 1.00 1.48 H new ATOM 0 HB2 ALA A 52 -3.797 -1.356 -11.952 1.00 1.48 H new ATOM 0 HB3 ALA A 52 -4.392 -0.658 -13.476 1.00 1.48 H new ATOM 831 N GLY A 53 -6.742 -1.165 -14.513 1.00 1.66 N ATOM 832 CA GLY A 53 -7.838 -0.573 -15.335 1.00 1.94 C ATOM 833 C GLY A 53 -7.417 0.839 -15.734 1.00 2.15 C ATOM 834 O GLY A 53 -7.969 1.429 -16.639 1.00 2.54 O ATOM 0 H GLY A 53 -5.848 -1.265 -14.994 1.00 1.66 H new ATOM 0 HA2 GLY A 53 -8.021 -1.181 -16.221 1.00 1.94 H new ATOM 0 HA3 GLY A 53 -8.769 -0.548 -14.768 1.00 1.94 H new ATOM 838 N LYS A 54 -6.429 1.337 -15.028 1.00 2.20 N ATOM 839 CA LYS A 54 -5.892 2.693 -15.287 1.00 2.50 C ATOM 840 C LYS A 54 -4.442 2.561 -15.798 1.00 2.45 C ATOM 841 O LYS A 54 -3.508 2.620 -15.029 1.00 3.01 O ATOM 842 CB LYS A 54 -5.927 3.433 -13.944 1.00 3.21 C ATOM 843 CG LYS A 54 -6.142 4.938 -14.131 1.00 3.92 C ATOM 844 CD LYS A 54 -4.876 5.633 -14.669 1.00 4.47 C ATOM 845 CE LYS A 54 -3.750 5.619 -13.613 1.00 4.70 C ATOM 846 NZ LYS A 54 -2.602 4.772 -14.055 1.00 5.37 N ATOM 0 H LYS A 54 -5.967 0.840 -14.266 1.00 2.20 H new ATOM 0 HA LYS A 54 -6.470 3.233 -16.037 1.00 2.50 H new ATOM 0 HB2 LYS A 54 -6.726 3.026 -13.325 1.00 3.21 H new ATOM 0 HB3 LYS A 54 -4.992 3.263 -13.410 1.00 3.21 H new ATOM 0 HG2 LYS A 54 -6.969 5.104 -14.821 1.00 3.92 H new ATOM 0 HG3 LYS A 54 -6.426 5.386 -13.179 1.00 3.92 H new ATOM 0 HD2 LYS A 54 -4.537 5.130 -15.575 1.00 4.47 H new ATOM 0 HD3 LYS A 54 -5.110 6.662 -14.944 1.00 4.47 H new ATOM 0 HE2 LYS A 54 -3.405 6.637 -13.432 1.00 4.70 H new ATOM 0 HE3 LYS A 54 -4.140 5.242 -12.667 1.00 4.70 H new ATOM 0 HZ1 LYS A 54 -2.357 4.099 -13.301 1.00 5.37 H new ATOM 0 HZ2 LYS A 54 -2.867 4.248 -14.914 1.00 5.37 H new ATOM 0 HZ3 LYS A 54 -1.782 5.378 -14.259 1.00 5.37 H new ATOM 860 N PRO A 55 -4.278 2.340 -17.086 1.00 2.71 N ATOM 861 CA PRO A 55 -2.951 2.434 -17.739 1.00 2.81 C ATOM 862 C PRO A 55 -2.246 3.750 -17.392 1.00 2.57 C ATOM 863 O PRO A 55 -2.791 4.569 -16.692 1.00 3.55 O ATOM 864 CB PRO A 55 -3.261 2.340 -19.235 1.00 3.97 C ATOM 865 CG PRO A 55 -4.642 1.656 -19.334 1.00 4.74 C ATOM 866 CD PRO A 55 -5.368 1.947 -18.011 1.00 3.81 C ATOM 0 HA PRO A 55 -2.270 1.650 -17.408 1.00 2.81 H new ATOM 0 HB2 PRO A 55 -3.280 3.329 -19.694 1.00 3.97 H new ATOM 0 HB3 PRO A 55 -2.499 1.761 -19.757 1.00 3.97 H new ATOM 0 HG2 PRO A 55 -5.208 2.045 -20.181 1.00 4.74 H new ATOM 0 HG3 PRO A 55 -4.533 0.583 -19.489 1.00 4.74 H new ATOM 0 HD2 PRO A 55 -6.102 2.744 -18.125 1.00 3.81 H new ATOM 0 HD3 PRO A 55 -5.904 1.070 -17.648 1.00 3.81 H new ATOM 874 N VAL A 56 -1.044 3.911 -17.878 1.00 2.60 N ATOM 875 CA VAL A 56 -0.270 5.168 -17.598 1.00 3.16 C ATOM 876 C VAL A 56 0.165 5.168 -16.127 1.00 3.06 C ATOM 877 O VAL A 56 -0.383 5.865 -15.279 1.00 4.47 O ATOM 878 CB VAL A 56 -1.106 6.415 -17.930 1.00 4.50 C ATOM 879 CG1 VAL A 56 -0.243 7.676 -17.806 1.00 5.63 C ATOM 880 CG2 VAL A 56 -1.631 6.313 -19.368 1.00 5.29 C ATOM 0 H VAL A 56 -0.559 3.227 -18.459 1.00 2.60 H new ATOM 0 HA VAL A 56 0.615 5.197 -18.234 1.00 3.16 H new ATOM 0 HB VAL A 56 -1.940 6.475 -17.231 1.00 4.50 H new ATOM 0 HG11 VAL A 56 -0.845 8.553 -18.043 1.00 5.63 H new ATOM 0 HG12 VAL A 56 0.135 7.760 -16.787 1.00 5.63 H new ATOM 0 HG13 VAL A 56 0.595 7.613 -18.500 1.00 5.63 H new ATOM 0 HG21 VAL A 56 -2.224 7.197 -19.603 1.00 5.29 H new ATOM 0 HG22 VAL A 56 -0.790 6.246 -20.058 1.00 5.29 H new ATOM 0 HG23 VAL A 56 -2.253 5.423 -19.466 1.00 5.29 H new ATOM 890 N GLU A 57 1.094 4.291 -15.862 1.00 2.28 N ATOM 891 CA GLU A 57 1.651 4.142 -14.493 1.00 2.84 C ATOM 892 C GLU A 57 2.862 3.209 -14.529 1.00 2.22 C ATOM 893 O GLU A 57 3.092 2.517 -15.509 1.00 2.57 O ATOM 894 CB GLU A 57 0.584 3.543 -13.578 1.00 4.14 C ATOM 895 CG GLU A 57 -0.193 2.457 -14.341 1.00 4.50 C ATOM 896 CD GLU A 57 -1.152 1.754 -13.385 1.00 5.37 C ATOM 897 OE1 GLU A 57 -1.784 2.490 -12.642 1.00 5.96 O ATOM 898 OE2 GLU A 57 -1.226 0.541 -13.474 1.00 6.08 O ATOM 0 H GLU A 57 1.497 3.659 -16.554 1.00 2.28 H new ATOM 0 HA GLU A 57 1.956 5.119 -14.118 1.00 2.84 H new ATOM 0 HB2 GLU A 57 1.049 3.116 -12.689 1.00 4.14 H new ATOM 0 HB3 GLU A 57 -0.098 4.322 -13.238 1.00 4.14 H new ATOM 0 HG2 GLU A 57 -0.747 2.903 -15.167 1.00 4.50 H new ATOM 0 HG3 GLU A 57 0.500 1.736 -14.775 1.00 4.50 H new ATOM 905 N THR A 58 3.590 3.216 -13.460 1.00 2.27 N ATOM 906 CA THR A 58 4.792 2.358 -13.351 1.00 2.68 C ATOM 907 C THR A 58 4.811 1.805 -11.921 1.00 2.23 C ATOM 908 O THR A 58 3.940 2.151 -11.145 1.00 2.34 O ATOM 909 CB THR A 58 6.006 3.240 -13.682 1.00 3.86 C ATOM 910 OG1 THR A 58 5.782 3.615 -15.040 1.00 4.49 O ATOM 911 CG2 THR A 58 7.335 2.475 -13.712 1.00 5.03 C ATOM 0 H THR A 58 3.400 3.791 -12.639 1.00 2.27 H new ATOM 0 HA THR A 58 4.802 1.512 -14.038 1.00 2.68 H new ATOM 0 HB THR A 58 6.085 4.035 -12.940 1.00 3.86 H new ATOM 0 HG1 THR A 58 6.515 4.190 -15.346 1.00 4.49 H new ATOM 0 HG21 THR A 58 8.146 3.163 -13.952 1.00 5.03 H new ATOM 0 HG22 THR A 58 7.518 2.025 -12.736 1.00 5.03 H new ATOM 0 HG23 THR A 58 7.287 1.692 -14.469 1.00 5.03 H new ATOM 919 N VAL A 59 5.785 0.990 -11.603 1.00 2.36 N ATOM 920 CA VAL A 59 5.858 0.404 -10.224 1.00 2.03 C ATOM 921 C VAL A 59 6.559 1.378 -9.261 1.00 2.13 C ATOM 922 O VAL A 59 7.374 2.178 -9.678 1.00 2.67 O ATOM 923 CB VAL A 59 6.659 -0.909 -10.279 1.00 2.49 C ATOM 924 CG1 VAL A 59 5.803 -1.993 -10.939 1.00 3.37 C ATOM 925 CG2 VAL A 59 7.948 -0.711 -11.092 1.00 2.61 C ATOM 0 H VAL A 59 6.533 0.704 -12.235 1.00 2.36 H new ATOM 0 HA VAL A 59 4.846 0.218 -9.865 1.00 2.03 H new ATOM 0 HB VAL A 59 6.923 -1.209 -9.265 1.00 2.49 H new ATOM 0 HG11 VAL A 59 6.366 -2.926 -10.981 1.00 3.37 H new ATOM 0 HG12 VAL A 59 4.894 -2.143 -10.357 1.00 3.37 H new ATOM 0 HG13 VAL A 59 5.539 -1.683 -11.950 1.00 3.37 H new ATOM 0 HG21 VAL A 59 8.506 -1.647 -11.123 1.00 2.61 H new ATOM 0 HG22 VAL A 59 7.695 -0.405 -12.107 1.00 2.61 H new ATOM 0 HG23 VAL A 59 8.559 0.060 -10.623 1.00 2.61 H new ATOM 935 N PRO A 60 6.256 1.275 -7.979 1.00 1.85 N ATOM 936 CA PRO A 60 5.396 0.209 -7.379 1.00 1.61 C ATOM 937 C PRO A 60 3.906 0.463 -7.641 1.00 1.35 C ATOM 938 O PRO A 60 3.533 1.526 -8.077 1.00 1.45 O ATOM 939 CB PRO A 60 5.692 0.324 -5.882 1.00 1.63 C ATOM 940 CG PRO A 60 6.090 1.799 -5.670 1.00 1.70 C ATOM 941 CD PRO A 60 6.771 2.239 -6.977 1.00 1.95 C ATOM 0 HA PRO A 60 5.605 -0.775 -7.798 1.00 1.61 H new ATOM 0 HB2 PRO A 60 4.819 0.060 -5.285 1.00 1.63 H new ATOM 0 HB3 PRO A 60 6.496 -0.349 -5.585 1.00 1.63 H new ATOM 0 HG2 PRO A 60 5.215 2.414 -5.458 1.00 1.70 H new ATOM 0 HG3 PRO A 60 6.766 1.904 -4.822 1.00 1.70 H new ATOM 0 HD2 PRO A 60 6.513 3.265 -7.238 1.00 1.95 H new ATOM 0 HD3 PRO A 60 7.857 2.194 -6.898 1.00 1.95 H new ATOM 949 N GLN A 61 3.085 -0.517 -7.378 1.00 1.11 N ATOM 950 CA GLN A 61 1.605 -0.343 -7.589 1.00 0.90 C ATOM 951 C GLN A 61 0.864 -0.611 -6.275 1.00 0.61 C ATOM 952 O GLN A 61 1.277 -1.466 -5.507 1.00 0.64 O ATOM 953 CB GLN A 61 1.142 -1.331 -8.666 1.00 1.09 C ATOM 954 CG GLN A 61 1.253 -0.684 -10.053 1.00 1.10 C ATOM 955 CD GLN A 61 -0.028 0.097 -10.355 1.00 1.78 C ATOM 956 OE1 GLN A 61 -1.120 -0.417 -10.219 1.00 2.94 O ATOM 957 NE2 GLN A 61 0.052 1.327 -10.767 1.00 2.51 N ATOM 0 H GLN A 61 3.367 -1.432 -7.026 1.00 1.11 H new ATOM 0 HA GLN A 61 1.390 0.676 -7.911 1.00 0.90 H new ATOM 0 HB2 GLN A 61 1.750 -2.235 -8.627 1.00 1.09 H new ATOM 0 HB3 GLN A 61 0.111 -1.631 -8.477 1.00 1.09 H new ATOM 0 HG2 GLN A 61 2.115 -0.017 -10.087 1.00 1.10 H new ATOM 0 HG3 GLN A 61 1.412 -1.450 -10.812 1.00 1.10 H new ATOM 0 HE21 GLN A 61 0.965 1.767 -10.884 1.00 2.51 H new ATOM 0 HE22 GLN A 61 -0.798 1.852 -10.973 1.00 2.51 H new ATOM 966 N ILE A 62 -0.207 0.109 -6.044 1.00 0.56 N ATOM 967 CA ILE A 62 -0.977 -0.076 -4.780 1.00 0.49 C ATOM 968 C ILE A 62 -2.406 -0.545 -5.055 1.00 0.53 C ATOM 969 O ILE A 62 -3.149 0.101 -5.792 1.00 0.55 O ATOM 970 CB ILE A 62 -1.082 1.272 -4.055 1.00 0.69 C ATOM 971 CG1 ILE A 62 0.252 2.024 -4.100 1.00 1.05 C ATOM 972 CG2 ILE A 62 -1.508 1.032 -2.603 1.00 0.73 C ATOM 973 CD1 ILE A 62 1.341 1.280 -3.327 1.00 1.32 C ATOM 0 H ILE A 62 -0.579 0.816 -6.678 1.00 0.56 H new ATOM 0 HA ILE A 62 -0.454 -0.824 -4.184 1.00 0.49 H new ATOM 0 HB ILE A 62 -1.828 1.887 -4.558 1.00 0.69 H new ATOM 0 HG12 ILE A 62 0.564 2.153 -5.137 1.00 1.05 H new ATOM 0 HG13 ILE A 62 0.123 3.021 -3.680 1.00 1.05 H new ATOM 0 HG21 ILE A 62 -1.584 1.987 -2.083 1.00 0.73 H new ATOM 0 HG22 ILE A 62 -2.476 0.532 -2.586 1.00 0.73 H new ATOM 0 HG23 ILE A 62 -0.767 0.406 -2.105 1.00 0.73 H new ATOM 0 HD11 ILE A 62 2.273 1.842 -3.380 1.00 1.32 H new ATOM 0 HD12 ILE A 62 1.040 1.174 -2.285 1.00 1.32 H new ATOM 0 HD13 ILE A 62 1.487 0.292 -3.764 1.00 1.32 H new ATOM 985 N PHE A 63 -2.765 -1.625 -4.426 1.00 0.61 N ATOM 986 CA PHE A 63 -4.140 -2.166 -4.563 1.00 0.74 C ATOM 987 C PHE A 63 -4.682 -2.279 -3.142 1.00 0.76 C ATOM 988 O PHE A 63 -3.973 -2.758 -2.264 1.00 0.75 O ATOM 989 CB PHE A 63 -4.115 -3.560 -5.212 1.00 0.87 C ATOM 990 CG PHE A 63 -4.023 -3.453 -6.748 1.00 0.92 C ATOM 991 CD1 PHE A 63 -2.864 -3.026 -7.376 1.00 1.05 C ATOM 992 CD2 PHE A 63 -5.116 -3.795 -7.529 1.00 1.00 C ATOM 993 CE1 PHE A 63 -2.798 -2.943 -8.754 1.00 1.17 C ATOM 994 CE2 PHE A 63 -5.053 -3.712 -8.906 1.00 1.11 C ATOM 995 CZ PHE A 63 -3.893 -3.285 -9.521 1.00 1.16 C ATOM 0 H PHE A 63 -2.153 -2.164 -3.813 1.00 0.61 H new ATOM 0 HA PHE A 63 -4.754 -1.522 -5.192 1.00 0.74 H new ATOM 0 HB2 PHE A 63 -3.265 -4.127 -4.832 1.00 0.87 H new ATOM 0 HB3 PHE A 63 -5.014 -4.110 -4.935 1.00 0.87 H new ATOM 0 HD1 PHE A 63 -2.003 -2.755 -6.782 1.00 1.05 H new ATOM 0 HD2 PHE A 63 -6.027 -4.130 -7.055 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -1.888 -2.610 -9.231 1.00 1.17 H new ATOM 0 HE2 PHE A 63 -5.912 -3.981 -9.502 1.00 1.11 H new ATOM 0 HZ PHE A 63 -3.843 -3.219 -10.598 1.00 1.16 H new ATOM 1005 N VAL A 64 -5.876 -1.805 -2.917 1.00 0.82 N ATOM 1006 CA VAL A 64 -6.444 -1.908 -1.542 1.00 0.91 C ATOM 1007 C VAL A 64 -7.713 -2.739 -1.601 1.00 1.09 C ATOM 1008 O VAL A 64 -8.462 -2.657 -2.557 1.00 1.42 O ATOM 1009 CB VAL A 64 -6.762 -0.513 -0.985 1.00 0.83 C ATOM 1010 CG1 VAL A 64 -7.611 -0.660 0.281 1.00 1.00 C ATOM 1011 CG2 VAL A 64 -5.457 0.209 -0.609 1.00 0.83 C ATOM 0 H VAL A 64 -6.475 -1.358 -3.611 1.00 0.82 H new ATOM 0 HA VAL A 64 -5.715 -2.381 -0.884 1.00 0.91 H new ATOM 0 HB VAL A 64 -7.298 0.059 -1.742 1.00 0.83 H new ATOM 0 HG11 VAL A 64 -7.840 0.327 0.682 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -8.539 -1.178 0.039 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -7.059 -1.234 1.025 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -5.689 1.198 -0.214 1.00 0.83 H new ATOM 0 HG22 VAL A 64 -4.927 -0.369 0.148 1.00 0.83 H new ATOM 0 HG23 VAL A 64 -4.829 0.310 -1.494 1.00 0.83 H new ATOM 1021 N ASP A 65 -7.931 -3.490 -0.554 1.00 1.16 N ATOM 1022 CA ASP A 65 -9.132 -4.374 -0.455 1.00 1.46 C ATOM 1023 C ASP A 65 -9.188 -5.293 -1.679 1.00 1.35 C ATOM 1024 O ASP A 65 -8.715 -6.409 -1.638 1.00 1.67 O ATOM 1025 CB ASP A 65 -10.416 -3.519 -0.355 1.00 1.95 C ATOM 1026 CG ASP A 65 -11.568 -4.416 0.108 1.00 2.97 C ATOM 1027 OD1 ASP A 65 -11.467 -4.843 1.252 1.00 2.84 O ATOM 1028 OD2 ASP A 65 -12.466 -4.640 -0.692 1.00 4.43 O ATOM 0 H ASP A 65 -7.313 -3.529 0.256 1.00 1.16 H new ATOM 0 HA ASP A 65 -9.061 -4.986 0.444 1.00 1.46 H new ATOM 0 HB2 ASP A 65 -10.270 -2.699 0.348 1.00 1.95 H new ATOM 0 HB3 ASP A 65 -10.649 -3.073 -1.322 1.00 1.95 H new ATOM 1033 N GLN A 66 -9.753 -4.798 -2.733 1.00 1.51 N ATOM 1034 CA GLN A 66 -9.850 -5.594 -3.987 1.00 1.61 C ATOM 1035 C GLN A 66 -9.793 -4.663 -5.204 1.00 1.41 C ATOM 1036 O GLN A 66 -10.026 -5.094 -6.311 1.00 1.68 O ATOM 1037 CB GLN A 66 -11.170 -6.390 -3.992 1.00 2.06 C ATOM 1038 CG GLN A 66 -12.366 -5.426 -3.949 1.00 3.33 C ATOM 1039 CD GLN A 66 -13.669 -6.220 -3.802 1.00 3.94 C ATOM 1040 OE1 GLN A 66 -14.117 -6.899 -4.707 1.00 4.44 O ATOM 1041 NE2 GLN A 66 -14.301 -6.168 -2.672 1.00 4.64 N ATOM 0 H GLN A 66 -10.159 -3.864 -2.785 1.00 1.51 H new ATOM 0 HA GLN A 66 -9.012 -6.289 -4.038 1.00 1.61 H new ATOM 0 HB2 GLN A 66 -11.226 -7.012 -4.885 1.00 2.06 H new ATOM 0 HB3 GLN A 66 -11.203 -7.061 -3.134 1.00 2.06 H new ATOM 0 HG2 GLN A 66 -12.256 -4.733 -3.115 1.00 3.33 H new ATOM 0 HG3 GLN A 66 -12.395 -4.827 -4.859 1.00 3.33 H new ATOM 0 HE21 GLN A 66 -13.933 -5.602 -1.908 1.00 4.64 H new ATOM 0 HE22 GLN A 66 -15.166 -6.693 -2.547 1.00 4.64 H new ATOM 1050 N GLN A 67 -9.480 -3.415 -4.985 1.00 1.17 N ATOM 1051 CA GLN A 67 -9.414 -2.446 -6.099 1.00 1.16 C ATOM 1052 C GLN A 67 -8.002 -1.903 -6.279 1.00 0.99 C ATOM 1053 O GLN A 67 -7.145 -2.065 -5.427 1.00 1.02 O ATOM 1054 CB GLN A 67 -10.330 -1.266 -5.761 1.00 1.32 C ATOM 1055 CG GLN A 67 -11.795 -1.626 -6.014 1.00 2.71 C ATOM 1056 CD GLN A 67 -11.964 -2.136 -7.451 1.00 4.29 C ATOM 1057 OE1 GLN A 67 -11.938 -1.384 -8.404 1.00 5.03 O ATOM 1058 NE2 GLN A 67 -12.089 -3.412 -7.655 1.00 5.53 N ATOM 0 H GLN A 67 -9.265 -3.027 -4.066 1.00 1.17 H new ATOM 0 HA GLN A 67 -9.718 -2.951 -7.016 1.00 1.16 H new ATOM 0 HB2 GLN A 67 -10.195 -0.983 -4.717 1.00 1.32 H new ATOM 0 HB3 GLN A 67 -10.054 -0.401 -6.364 1.00 1.32 H new ATOM 0 HG2 GLN A 67 -12.119 -2.390 -5.307 1.00 2.71 H new ATOM 0 HG3 GLN A 67 -12.427 -0.753 -5.852 1.00 2.71 H new ATOM 0 HE21 GLN A 67 -12.112 -4.055 -6.864 1.00 5.53 H new ATOM 0 HE22 GLN A 67 -12.164 -3.771 -8.607 1.00 5.53 H new ATOM 1067 N HIS A 68 -7.835 -1.215 -7.368 1.00 0.97 N ATOM 1068 CA HIS A 68 -6.525 -0.588 -7.678 1.00 0.88 C ATOM 1069 C HIS A 68 -6.646 0.831 -7.156 1.00 0.73 C ATOM 1070 O HIS A 68 -7.660 1.458 -7.395 1.00 0.89 O ATOM 1071 CB HIS A 68 -6.316 -0.576 -9.194 1.00 1.03 C ATOM 1072 CG HIS A 68 -5.238 0.404 -9.653 1.00 1.08 C ATOM 1073 ND1 HIS A 68 -5.554 1.524 -10.240 1.00 1.17 N ATOM 1074 CD2 HIS A 68 -3.873 0.370 -9.578 1.00 1.34 C ATOM 1075 CE1 HIS A 68 -4.448 2.173 -10.525 1.00 1.34 C ATOM 1076 NE2 HIS A 68 -3.428 1.464 -10.119 1.00 1.40 N ATOM 0 H HIS A 68 -8.561 -1.058 -8.067 1.00 0.97 H new ATOM 0 HA HIS A 68 -5.684 -1.119 -7.232 1.00 0.88 H new ATOM 0 HB2 HIS A 68 -6.047 -1.580 -9.524 1.00 1.03 H new ATOM 0 HB3 HIS A 68 -7.258 -0.322 -9.681 1.00 1.03 H new ATOM 0 HD1 HIS A 68 -6.501 1.843 -10.444 1.00 1.17 H new ATOM 0 HD2 HIS A 68 -3.275 -0.420 -9.148 1.00 1.34 H new ATOM 0 HE1 HIS A 68 -4.391 3.134 -11.014 1.00 1.34 H new ATOM 1084 N ILE A 69 -5.650 1.323 -6.480 1.00 0.55 N ATOM 1085 CA ILE A 69 -5.790 2.705 -5.937 1.00 0.56 C ATOM 1086 C ILE A 69 -4.844 3.647 -6.683 1.00 0.73 C ATOM 1087 O ILE A 69 -5.197 4.784 -6.953 1.00 0.92 O ATOM 1088 CB ILE A 69 -5.500 2.670 -4.424 1.00 0.62 C ATOM 1089 CG1 ILE A 69 -6.061 1.366 -3.803 1.00 0.75 C ATOM 1090 CG2 ILE A 69 -6.174 3.869 -3.743 1.00 0.93 C ATOM 1091 CD1 ILE A 69 -7.590 1.233 -4.002 1.00 1.07 C ATOM 0 H ILE A 69 -4.769 0.848 -6.282 1.00 0.55 H new ATOM 0 HA ILE A 69 -6.803 3.080 -6.083 1.00 0.56 H new ATOM 0 HB ILE A 69 -4.421 2.711 -4.274 1.00 0.62 H new ATOM 0 HG12 ILE A 69 -5.562 0.508 -4.253 1.00 0.75 H new ATOM 0 HG13 ILE A 69 -5.832 1.345 -2.738 1.00 0.75 H new ATOM 0 HG21 ILE A 69 -5.968 3.843 -2.673 1.00 0.93 H new ATOM 0 HG22 ILE A 69 -5.783 4.795 -4.165 1.00 0.93 H new ATOM 0 HG23 ILE A 69 -7.251 3.822 -3.906 1.00 0.93 H new ATOM 0 HD11 ILE A 69 -7.936 0.304 -3.550 1.00 1.07 H new ATOM 0 HD12 ILE A 69 -8.093 2.076 -3.529 1.00 1.07 H new ATOM 0 HD13 ILE A 69 -7.819 1.225 -5.068 1.00 1.07 H new ATOM 1103 N GLY A 70 -3.684 3.156 -7.023 1.00 0.80 N ATOM 1104 CA GLY A 70 -2.721 4.014 -7.774 1.00 1.12 C ATOM 1105 C GLY A 70 -1.275 3.631 -7.463 1.00 0.92 C ATOM 1106 O GLY A 70 -0.973 2.470 -7.239 1.00 1.78 O ATOM 0 H GLY A 70 -3.363 2.210 -6.817 1.00 0.80 H new ATOM 0 HA2 GLY A 70 -2.903 3.917 -8.844 1.00 1.12 H new ATOM 0 HA3 GLY A 70 -2.886 5.060 -7.516 1.00 1.12 H new ATOM 1110 N GLY A 71 -0.417 4.624 -7.428 1.00 0.98 N ATOM 1111 CA GLY A 71 1.030 4.374 -7.156 1.00 1.15 C ATOM 1112 C GLY A 71 1.445 4.753 -5.725 1.00 1.25 C ATOM 1113 O GLY A 71 1.934 3.906 -5.007 1.00 2.57 O ATOM 0 H GLY A 71 -0.662 5.603 -7.578 1.00 0.98 H new ATOM 0 HA2 GLY A 71 1.249 3.320 -7.325 1.00 1.15 H new ATOM 0 HA3 GLY A 71 1.631 4.942 -7.866 1.00 1.15 H new ATOM 1117 N TYR A 72 1.312 5.993 -5.329 1.00 0.98 N ATOM 1118 CA TYR A 72 1.738 6.334 -3.928 1.00 0.89 C ATOM 1119 C TYR A 72 0.914 7.488 -3.369 1.00 1.05 C ATOM 1120 O TYR A 72 0.163 7.320 -2.429 1.00 1.32 O ATOM 1121 CB TYR A 72 3.234 6.705 -3.923 1.00 0.93 C ATOM 1122 CG TYR A 72 3.756 6.837 -2.484 1.00 0.95 C ATOM 1123 CD1 TYR A 72 3.449 5.884 -1.537 1.00 1.05 C ATOM 1124 CD2 TYR A 72 4.560 7.900 -2.118 1.00 1.30 C ATOM 1125 CE1 TYR A 72 3.932 5.992 -0.255 1.00 1.39 C ATOM 1126 CE2 TYR A 72 5.047 8.003 -0.827 1.00 1.60 C ATOM 1127 CZ TYR A 72 4.734 7.044 0.113 1.00 1.62 C ATOM 1128 OH TYR A 72 5.239 7.112 1.395 1.00 2.11 O ATOM 0 H TYR A 72 0.942 6.762 -5.887 1.00 0.98 H new ATOM 0 HA TYR A 72 1.572 5.463 -3.294 1.00 0.89 H new ATOM 0 HB2 TYR A 72 3.805 5.943 -4.454 1.00 0.93 H new ATOM 0 HB3 TYR A 72 3.383 7.644 -4.457 1.00 0.93 H new ATOM 0 HD1 TYR A 72 2.824 5.045 -1.805 1.00 1.05 H new ATOM 0 HD2 TYR A 72 4.810 8.657 -2.846 1.00 1.30 H new ATOM 0 HE1 TYR A 72 3.677 5.238 0.474 1.00 1.39 H new ATOM 0 HE2 TYR A 72 5.675 8.838 -0.554 1.00 1.60 H new ATOM 0 HH TYR A 72 5.643 6.252 1.634 1.00 2.11 H new ATOM 1138 N THR A 73 1.112 8.651 -3.923 1.00 1.24 N ATOM 1139 CA THR A 73 0.339 9.839 -3.458 1.00 1.49 C ATOM 1140 C THR A 73 -1.144 9.453 -3.411 1.00 1.32 C ATOM 1141 O THR A 73 -1.831 9.645 -2.429 1.00 1.60 O ATOM 1142 CB THR A 73 0.601 10.966 -4.464 1.00 1.81 C ATOM 1143 OG1 THR A 73 0.457 10.338 -5.737 1.00 1.79 O ATOM 1144 CG2 THR A 73 2.068 11.416 -4.424 1.00 1.96 C ATOM 0 H THR A 73 1.775 8.832 -4.677 1.00 1.24 H new ATOM 0 HA THR A 73 0.634 10.171 -2.463 1.00 1.49 H new ATOM 0 HB THR A 73 -0.055 11.813 -4.262 1.00 1.81 H new ATOM 0 HG1 THR A 73 0.609 10.997 -6.446 1.00 1.79 H new ATOM 0 HG21 THR A 73 2.223 12.216 -5.148 1.00 1.96 H new ATOM 0 HG22 THR A 73 2.310 11.779 -3.425 1.00 1.96 H new ATOM 0 HG23 THR A 73 2.714 10.573 -4.670 1.00 1.96 H new ATOM 1152 N ASP A 74 -1.580 8.920 -4.510 1.00 1.03 N ATOM 1153 CA ASP A 74 -2.989 8.441 -4.648 1.00 0.83 C ATOM 1154 C ASP A 74 -3.388 7.579 -3.444 1.00 0.74 C ATOM 1155 O ASP A 74 -4.381 7.827 -2.800 1.00 0.85 O ATOM 1156 CB ASP A 74 -3.060 7.611 -5.928 1.00 0.93 C ATOM 1157 CG ASP A 74 -1.800 6.747 -6.026 1.00 2.18 C ATOM 1158 OD1 ASP A 74 -1.819 5.670 -5.462 1.00 3.54 O ATOM 1159 OD2 ASP A 74 -0.858 7.240 -6.631 1.00 2.87 O ATOM 0 H ASP A 74 -1.008 8.790 -5.345 1.00 1.03 H new ATOM 0 HA ASP A 74 -3.675 9.287 -4.690 1.00 0.83 H new ATOM 0 HB2 ASP A 74 -3.950 6.981 -5.921 1.00 0.93 H new ATOM 0 HB3 ASP A 74 -3.139 8.264 -6.797 1.00 0.93 H new ATOM 1164 N PHE A 75 -2.602 6.583 -3.177 1.00 0.70 N ATOM 1165 CA PHE A 75 -2.890 5.691 -2.030 1.00 0.70 C ATOM 1166 C PHE A 75 -2.916 6.517 -0.747 1.00 0.89 C ATOM 1167 O PHE A 75 -3.847 6.424 0.014 1.00 1.02 O ATOM 1168 CB PHE A 75 -1.796 4.627 -1.981 1.00 0.72 C ATOM 1169 CG PHE A 75 -1.901 3.817 -0.691 1.00 0.68 C ATOM 1170 CD1 PHE A 75 -3.012 3.047 -0.408 1.00 0.80 C ATOM 1171 CD2 PHE A 75 -0.850 3.829 0.196 1.00 0.76 C ATOM 1172 CE1 PHE A 75 -3.059 2.296 0.747 1.00 0.83 C ATOM 1173 CE2 PHE A 75 -0.897 3.087 1.349 1.00 0.81 C ATOM 1174 CZ PHE A 75 -1.998 2.321 1.622 1.00 0.76 C ATOM 0 H PHE A 75 -1.765 6.346 -3.709 1.00 0.70 H new ATOM 0 HA PHE A 75 -3.860 5.206 -2.137 1.00 0.70 H new ATOM 0 HB2 PHE A 75 -1.885 3.965 -2.842 1.00 0.72 H new ATOM 0 HB3 PHE A 75 -0.816 5.100 -2.042 1.00 0.72 H new ATOM 0 HD1 PHE A 75 -3.846 3.033 -1.094 1.00 0.80 H new ATOM 0 HD2 PHE A 75 0.022 4.429 -0.018 1.00 0.76 H new ATOM 0 HE1 PHE A 75 -3.926 1.690 0.964 1.00 0.83 H new ATOM 0 HE2 PHE A 75 -0.067 3.107 2.040 1.00 0.81 H new ATOM 0 HZ PHE A 75 -2.034 1.734 2.528 1.00 0.76 H new ATOM 1184 N ALA A 76 -1.887 7.290 -0.529 1.00 1.07 N ATOM 1185 CA ALA A 76 -1.846 8.149 0.694 1.00 1.36 C ATOM 1186 C ALA A 76 -3.177 8.890 0.824 1.00 1.40 C ATOM 1187 O ALA A 76 -3.840 8.837 1.847 1.00 1.54 O ATOM 1188 CB ALA A 76 -0.697 9.155 0.558 1.00 1.59 C ATOM 0 H ALA A 76 -1.075 7.365 -1.141 1.00 1.07 H new ATOM 0 HA ALA A 76 -1.685 7.537 1.582 1.00 1.36 H new ATOM 0 HB1 ALA A 76 -0.659 9.786 1.446 1.00 1.59 H new ATOM 0 HB2 ALA A 76 0.246 8.618 0.454 1.00 1.59 H new ATOM 0 HB3 ALA A 76 -0.860 9.777 -0.322 1.00 1.59 H new ATOM 1194 N ALA A 77 -3.539 9.559 -0.240 1.00 1.32 N ATOM 1195 CA ALA A 77 -4.821 10.308 -0.242 1.00 1.38 C ATOM 1196 C ALA A 77 -5.956 9.351 0.093 1.00 1.36 C ATOM 1197 O ALA A 77 -6.569 9.507 1.117 1.00 1.46 O ATOM 1198 CB ALA A 77 -5.067 10.934 -1.617 1.00 1.38 C ATOM 0 H ALA A 77 -3.000 9.616 -1.104 1.00 1.32 H new ATOM 0 HA ALA A 77 -4.774 11.104 0.502 1.00 1.38 H new ATOM 0 HB1 ALA A 77 -6.010 11.480 -1.605 1.00 1.38 H new ATOM 0 HB2 ALA A 77 -4.254 11.620 -1.855 1.00 1.38 H new ATOM 0 HB3 ALA A 77 -5.112 10.149 -2.371 1.00 1.38 H new ATOM 1204 N TRP A 78 -6.185 8.365 -0.750 1.00 1.28 N ATOM 1205 CA TRP A 78 -7.293 7.387 -0.472 1.00 1.31 C ATOM 1206 C TRP A 78 -7.280 6.994 1.011 1.00 1.37 C ATOM 1207 O TRP A 78 -8.288 7.084 1.684 1.00 1.45 O ATOM 1208 CB TRP A 78 -7.136 6.112 -1.326 1.00 1.32 C ATOM 1209 CG TRP A 78 -8.083 4.962 -0.935 1.00 1.36 C ATOM 1210 CD1 TRP A 78 -9.389 4.800 -1.325 1.00 1.53 C ATOM 1211 CD2 TRP A 78 -7.916 4.010 0.045 1.00 1.31 C ATOM 1212 NE1 TRP A 78 -9.961 3.854 -0.625 1.00 1.55 N ATOM 1213 CE2 TRP A 78 -9.108 3.330 0.232 1.00 1.40 C ATOM 1214 CE3 TRP A 78 -6.803 3.748 0.820 1.00 1.27 C ATOM 1215 CZ2 TRP A 78 -9.212 2.376 1.214 1.00 1.41 C ATOM 1216 CZ3 TRP A 78 -6.928 2.790 1.814 1.00 1.31 C ATOM 1217 CH2 TRP A 78 -8.118 2.114 2.010 1.00 1.36 C ATOM 0 H TRP A 78 -5.660 8.196 -1.608 1.00 1.28 H new ATOM 0 HA TRP A 78 -8.237 7.869 -0.726 1.00 1.31 H new ATOM 0 HB2 TRP A 78 -7.307 6.367 -2.372 1.00 1.32 H new ATOM 0 HB3 TRP A 78 -6.107 5.761 -1.247 1.00 1.32 H new ATOM 0 HD1 TRP A 78 -9.876 5.373 -2.100 1.00 1.53 H new ATOM 0 HE1 TRP A 78 -10.933 3.562 -0.728 1.00 1.55 H new ATOM 0 HE3 TRP A 78 -5.871 4.269 0.658 1.00 1.27 H new ATOM 0 HZ2 TRP A 78 -10.137 1.839 1.360 1.00 1.41 H new ATOM 0 HZ3 TRP A 78 -6.081 2.568 2.446 1.00 1.31 H new ATOM 0 HH2 TRP A 78 -8.191 1.374 2.794 1.00 1.36 H new ATOM 1228 N VAL A 79 -6.133 6.541 1.459 1.00 1.37 N ATOM 1229 CA VAL A 79 -5.983 6.136 2.883 1.00 1.46 C ATOM 1230 C VAL A 79 -6.632 7.202 3.744 1.00 1.65 C ATOM 1231 O VAL A 79 -7.619 6.955 4.398 1.00 1.86 O ATOM 1232 CB VAL A 79 -4.484 6.009 3.236 1.00 1.40 C ATOM 1233 CG1 VAL A 79 -4.304 5.873 4.752 1.00 1.72 C ATOM 1234 CG2 VAL A 79 -3.902 4.756 2.573 1.00 1.18 C ATOM 0 H VAL A 79 -5.292 6.436 0.891 1.00 1.37 H new ATOM 0 HA VAL A 79 -6.460 5.171 3.057 1.00 1.46 H new ATOM 0 HB VAL A 79 -3.971 6.903 2.880 1.00 1.40 H new ATOM 0 HG11 VAL A 79 -3.243 5.784 4.986 1.00 1.72 H new ATOM 0 HG12 VAL A 79 -4.712 6.754 5.247 1.00 1.72 H new ATOM 0 HG13 VAL A 79 -4.828 4.984 5.102 1.00 1.72 H new ATOM 0 HG21 VAL A 79 -2.845 4.669 2.824 1.00 1.18 H new ATOM 0 HG22 VAL A 79 -4.433 3.874 2.932 1.00 1.18 H new ATOM 0 HG23 VAL A 79 -4.013 4.832 1.491 1.00 1.18 H new ATOM 1244 N LYS A 80 -6.089 8.380 3.689 1.00 1.67 N ATOM 1245 CA LYS A 80 -6.670 9.479 4.501 1.00 1.92 C ATOM 1246 C LYS A 80 -8.185 9.608 4.223 1.00 2.07 C ATOM 1247 O LYS A 80 -8.988 9.618 5.149 1.00 2.66 O ATOM 1248 CB LYS A 80 -5.935 10.772 4.129 1.00 1.95 C ATOM 1249 CG LYS A 80 -5.962 11.760 5.304 1.00 2.24 C ATOM 1250 CD LYS A 80 -7.354 12.401 5.420 1.00 2.96 C ATOM 1251 CE LYS A 80 -7.386 13.372 6.601 1.00 2.66 C ATOM 1252 NZ LYS A 80 -6.997 12.665 7.855 1.00 3.52 N ATOM 0 H LYS A 80 -5.277 8.629 3.124 1.00 1.67 H new ATOM 0 HA LYS A 80 -6.550 9.274 5.565 1.00 1.92 H new ATOM 0 HB2 LYS A 80 -4.903 10.547 3.859 1.00 1.95 H new ATOM 0 HB3 LYS A 80 -6.402 11.225 3.254 1.00 1.95 H new ATOM 0 HG2 LYS A 80 -5.712 11.243 6.230 1.00 2.24 H new ATOM 0 HG3 LYS A 80 -5.208 12.533 5.157 1.00 2.24 H new ATOM 0 HD2 LYS A 80 -7.598 12.929 4.498 1.00 2.96 H new ATOM 0 HD3 LYS A 80 -8.110 11.627 5.554 1.00 2.96 H new ATOM 0 HE2 LYS A 80 -6.706 14.204 6.417 1.00 2.66 H new ATOM 0 HE3 LYS A 80 -8.385 13.795 6.707 1.00 2.66 H new ATOM 0 HZ1 LYS A 80 -7.718 12.833 8.586 1.00 3.52 H new ATOM 0 HZ2 LYS A 80 -6.923 11.644 7.669 1.00 3.52 H new ATOM 0 HZ3 LYS A 80 -6.079 13.024 8.186 1.00 3.52 H new ATOM 1266 N GLU A 81 -8.540 9.625 2.964 1.00 1.77 N ATOM 1267 CA GLU A 81 -9.978 9.783 2.579 1.00 1.91 C ATOM 1268 C GLU A 81 -10.789 8.483 2.773 1.00 2.01 C ATOM 1269 O GLU A 81 -11.793 8.286 2.112 1.00 2.65 O ATOM 1270 CB GLU A 81 -10.036 10.213 1.095 1.00 1.84 C ATOM 1271 CG GLU A 81 -9.180 11.476 0.847 1.00 2.01 C ATOM 1272 CD GLU A 81 -9.113 11.780 -0.666 1.00 2.86 C ATOM 1273 OE1 GLU A 81 -8.622 10.907 -1.378 1.00 3.99 O ATOM 1274 OE2 GLU A 81 -9.539 12.870 -1.032 1.00 3.48 O ATOM 0 H GLU A 81 -7.893 9.536 2.180 1.00 1.77 H new ATOM 0 HA GLU A 81 -10.426 10.536 3.228 1.00 1.91 H new ATOM 0 HB2 GLU A 81 -9.680 9.399 0.463 1.00 1.84 H new ATOM 0 HB3 GLU A 81 -11.070 10.409 0.810 1.00 1.84 H new ATOM 0 HG2 GLU A 81 -9.608 12.326 1.378 1.00 2.01 H new ATOM 0 HG3 GLU A 81 -8.175 11.327 1.241 1.00 2.01 H new ATOM 1281 N ASN A 82 -10.293 7.595 3.596 1.00 1.81 N ATOM 1282 CA ASN A 82 -11.037 6.325 3.877 1.00 1.87 C ATOM 1283 C ASN A 82 -10.891 5.905 5.344 1.00 1.85 C ATOM 1284 O ASN A 82 -11.818 5.394 5.936 1.00 1.91 O ATOM 1285 CB ASN A 82 -10.513 5.185 2.992 1.00 1.89 C ATOM 1286 CG ASN A 82 -11.116 5.294 1.593 1.00 1.87 C ATOM 1287 OD1 ASN A 82 -10.750 6.277 0.841 1.00 2.27 O flip ATOM 1288 ND2 ASN A 82 -11.915 4.480 1.173 1.00 1.83 N flip ATOM 0 H ASN A 82 -9.404 7.692 4.087 1.00 1.81 H new ATOM 0 HA ASN A 82 -12.088 6.515 3.660 1.00 1.87 H new ATOM 0 HB2 ASN A 82 -9.425 5.229 2.933 1.00 1.89 H new ATOM 0 HB3 ASN A 82 -10.770 4.222 3.434 1.00 1.89 H new ATOM 0 HD21 ASN A 82 -12.208 3.701 1.763 1.00 1.83 H new ATOM 0 HD22 ASN A 82 -12.293 4.576 0.230 1.00 1.83 H new ATOM 1295 N LEU A 83 -9.722 6.099 5.888 1.00 1.79 N ATOM 1296 CA LEU A 83 -9.480 5.693 7.305 1.00 1.80 C ATOM 1297 C LEU A 83 -9.701 6.849 8.277 1.00 1.90 C ATOM 1298 O LEU A 83 -9.766 6.624 9.479 1.00 2.03 O ATOM 1299 CB LEU A 83 -8.031 5.194 7.453 1.00 1.71 C ATOM 1300 CG LEU A 83 -7.683 4.170 6.354 1.00 1.56 C ATOM 1301 CD1 LEU A 83 -6.346 3.509 6.687 1.00 1.60 C ATOM 1302 CD2 LEU A 83 -8.754 3.077 6.278 1.00 1.57 C ATOM 0 H LEU A 83 -8.923 6.521 5.415 1.00 1.79 H new ATOM 0 HA LEU A 83 -10.191 4.903 7.547 1.00 1.80 H new ATOM 0 HB2 LEU A 83 -7.344 6.039 7.398 1.00 1.71 H new ATOM 0 HB3 LEU A 83 -7.898 4.739 8.434 1.00 1.71 H new ATOM 0 HG LEU A 83 -7.629 4.692 5.399 1.00 1.56 H new ATOM 0 HD11 LEU A 83 -6.096 2.784 5.913 1.00 1.60 H new ATOM 0 HD12 LEU A 83 -5.567 4.269 6.738 1.00 1.60 H new ATOM 0 HD13 LEU A 83 -6.421 3.001 7.649 1.00 1.60 H new ATOM 0 HD21 LEU A 83 -8.491 2.364 5.497 1.00 1.57 H new ATOM 0 HD22 LEU A 83 -8.815 2.560 7.236 1.00 1.57 H new ATOM 0 HD23 LEU A 83 -9.719 3.528 6.047 1.00 1.57 H new ATOM 1314 N ASP A 84 -9.771 8.053 7.758 1.00 1.96 N ATOM 1315 CA ASP A 84 -9.991 9.233 8.653 1.00 2.13 C ATOM 1316 C ASP A 84 -11.306 9.940 8.299 1.00 2.64 C ATOM 1317 O ASP A 84 -12.096 10.249 9.171 1.00 3.42 O ATOM 1318 CB ASP A 84 -8.819 10.216 8.500 1.00 2.33 C ATOM 1319 CG ASP A 84 -7.497 9.611 9.014 1.00 2.87 C ATOM 1320 OD1 ASP A 84 -7.550 8.691 9.832 1.00 3.94 O ATOM 1321 OD2 ASP A 84 -6.487 10.144 8.581 1.00 3.06 O ATOM 0 H ASP A 84 -9.686 8.268 6.764 1.00 1.96 H new ATOM 0 HA ASP A 84 -10.049 8.886 9.685 1.00 2.13 H new ATOM 0 HB2 ASP A 84 -8.710 10.492 7.451 1.00 2.33 H new ATOM 0 HB3 ASP A 84 -9.038 11.132 9.049 1.00 2.33 H new