USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 589 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.0191 (180deg=-0.267) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0395 X(o=-0.039,f=-0.3) USER MOD Single : A 19 ASN : amide:sc=-0.00974 X(o=-0.0097,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.213 K(o=-0.21,f=-0.89) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.253 -5.058 0.412 1.00 55.32 N ATOM 2 CA MET A 1 1.681 -5.213 -0.921 1.00 12.31 C ATOM 3 C MET A 1 2.185 -4.120 -1.859 1.00 34.51 C ATOM 4 O MET A 1 1.426 -3.582 -2.664 1.00 62.02 O ATOM 5 CB MET A 1 0.153 -5.177 -0.851 1.00 50.50 C ATOM 6 CG MET A 1 -0.397 -3.899 -0.238 1.00 53.12 C ATOM 7 SD MET A 1 -2.200 -3.844 -0.248 1.00 25.13 S ATOM 8 CE MET A 1 -2.534 -3.409 1.457 1.00 30.43 C ATOM 0 H1 MET A 1 1.784 -5.713 1.069 1.00 55.32 H new ATOM 0 H2 MET A 1 3.271 -5.269 0.380 1.00 55.32 H new ATOM 0 H3 MET A 1 2.112 -4.081 0.739 1.00 55.32 H new ATOM 0 HA MET A 1 1.997 -6.179 -1.315 1.00 12.31 H new ATOM 0 HB2 MET A 1 -0.251 -5.291 -1.857 1.00 50.50 H new ATOM 0 HB3 MET A 1 -0.196 -6.029 -0.268 1.00 50.50 H new ATOM 0 HG2 MET A 1 -0.040 -3.810 0.788 1.00 53.12 H new ATOM 0 HG3 MET A 1 -0.008 -3.041 -0.786 1.00 53.12 H new ATOM 0 HE1 MET A 1 -3.611 -3.337 1.610 1.00 30.43 H new ATOM 0 HE2 MET A 1 -2.125 -4.176 2.115 1.00 30.43 H new ATOM 0 HE3 MET A 1 -2.070 -2.450 1.685 1.00 30.43 H new ATOM 18 N GLY A 2 3.470 -3.798 -1.749 1.00 12.24 N ATOM 19 CA GLY A 2 4.052 -2.771 -2.593 1.00 0.03 C ATOM 20 C GLY A 2 5.439 -3.139 -3.080 1.00 43.13 C ATOM 21 O GLY A 2 5.660 -3.308 -4.280 1.00 61.11 O ATOM 0 H GLY A 2 4.118 -4.230 -1.091 1.00 12.24 H new ATOM 0 HA2 GLY A 2 3.403 -2.599 -3.451 1.00 0.03 H new ATOM 0 HA3 GLY A 2 4.102 -1.834 -2.038 1.00 0.03 H new ATOM 25 N THR A 3 6.379 -3.262 -2.148 1.00 63.22 N ATOM 26 CA THR A 3 7.753 -3.609 -2.489 1.00 60.44 C ATOM 27 C THR A 3 8.434 -4.349 -1.344 1.00 31.25 C ATOM 28 O THR A 3 8.147 -4.098 -0.173 1.00 1.43 O ATOM 29 CB THR A 3 8.579 -2.357 -2.839 1.00 53.03 C ATOM 30 OG1 THR A 3 9.926 -2.729 -3.149 1.00 62.41 O ATOM 31 CG2 THR A 3 8.574 -1.366 -1.685 1.00 54.33 C ATOM 0 H THR A 3 6.214 -3.126 -1.151 1.00 63.22 H new ATOM 0 HA THR A 3 7.706 -4.260 -3.362 1.00 60.44 H new ATOM 0 HB THR A 3 8.125 -1.881 -3.708 1.00 53.03 H new ATOM 0 HG1 THR A 3 10.444 -1.927 -3.372 1.00 62.41 H new ATOM 0 HG21 THR A 3 9.164 -0.490 -1.955 1.00 54.33 H new ATOM 0 HG22 THR A 3 7.549 -1.062 -1.471 1.00 54.33 H new ATOM 0 HG23 THR A 3 9.005 -1.835 -0.801 1.00 54.33 H new ATOM 39 N ILE A 4 9.337 -5.261 -1.688 1.00 35.30 N ATOM 40 CA ILE A 4 10.059 -6.036 -0.687 1.00 23.11 C ATOM 41 C ILE A 4 10.694 -5.126 0.359 1.00 31.35 C ATOM 42 O ILE A 4 10.633 -5.404 1.557 1.00 1.03 O ATOM 43 CB ILE A 4 11.157 -6.903 -1.331 1.00 4.11 C ATOM 44 CG1 ILE A 4 10.545 -7.868 -2.348 1.00 52.33 C ATOM 45 CG2 ILE A 4 11.923 -7.668 -0.262 1.00 3.21 C ATOM 46 CD1 ILE A 4 9.488 -8.776 -1.759 1.00 64.24 C ATOM 0 H ILE A 4 9.586 -5.481 -2.652 1.00 35.30 H new ATOM 0 HA ILE A 4 9.330 -6.687 -0.205 1.00 23.11 H new ATOM 0 HB ILE A 4 11.855 -6.249 -1.853 1.00 4.11 H new ATOM 0 HG12 ILE A 4 10.106 -7.293 -3.163 1.00 52.33 H new ATOM 0 HG13 ILE A 4 11.338 -8.479 -2.780 1.00 52.33 H new ATOM 0 HG21 ILE A 4 12.695 -8.276 -0.733 1.00 3.21 H new ATOM 0 HG22 ILE A 4 12.387 -6.963 0.428 1.00 3.21 H new ATOM 0 HG23 ILE A 4 11.237 -8.314 0.286 1.00 3.21 H new ATOM 0 HD11 ILE A 4 9.098 -9.433 -2.537 1.00 64.24 H new ATOM 0 HD12 ILE A 4 9.927 -9.377 -0.963 1.00 64.24 H new ATOM 0 HD13 ILE A 4 8.676 -8.173 -1.352 1.00 64.24 H new ATOM 58 N ASP A 5 11.301 -4.038 -0.101 1.00 31.01 N ATOM 59 CA ASP A 5 11.945 -3.085 0.795 1.00 15.44 C ATOM 60 C ASP A 5 10.988 -2.647 1.901 1.00 45.03 C ATOM 61 O ASP A 5 11.413 -2.324 3.010 1.00 31.24 O ATOM 62 CB ASP A 5 12.431 -1.864 0.012 1.00 22.32 C ATOM 63 CG ASP A 5 13.535 -2.208 -0.968 1.00 60.34 C ATOM 64 OD1 ASP A 5 14.464 -2.948 -0.581 1.00 3.40 O ATOM 65 OD2 ASP A 5 13.469 -1.739 -2.124 1.00 3.04 O ATOM 0 H ASP A 5 11.361 -3.794 -1.090 1.00 31.01 H new ATOM 0 HA ASP A 5 12.802 -3.578 1.254 1.00 15.44 H new ATOM 0 HB2 ASP A 5 11.592 -1.425 -0.529 1.00 22.32 H new ATOM 0 HB3 ASP A 5 12.791 -1.108 0.710 1.00 22.32 H new ATOM 70 N ASP A 6 9.697 -2.638 1.589 1.00 1.43 N ATOM 71 CA ASP A 6 8.680 -2.240 2.556 1.00 44.51 C ATOM 72 C ASP A 6 8.668 -3.186 3.752 1.00 35.21 C ATOM 73 O ASP A 6 8.465 -2.762 4.889 1.00 33.34 O ATOM 74 CB ASP A 6 7.301 -2.213 1.896 1.00 60.23 C ATOM 75 CG ASP A 6 6.317 -1.336 2.645 1.00 43.35 C ATOM 76 OD1 ASP A 6 6.261 -1.435 3.888 1.00 34.03 O ATOM 77 OD2 ASP A 6 5.605 -0.549 1.987 1.00 72.01 O ATOM 0 H ASP A 6 9.330 -2.902 0.675 1.00 1.43 H new ATOM 0 HA ASP A 6 8.923 -1.238 2.911 1.00 44.51 H new ATOM 0 HB2 ASP A 6 7.399 -1.852 0.872 1.00 60.23 H new ATOM 0 HB3 ASP A 6 6.908 -3.228 1.840 1.00 60.23 H new ATOM 82 N ALA A 7 8.884 -4.470 3.486 1.00 24.24 N ATOM 83 CA ALA A 7 8.899 -5.477 4.541 1.00 53.43 C ATOM 84 C ALA A 7 10.022 -5.212 5.537 1.00 1.22 C ATOM 85 O ALA A 7 9.814 -5.261 6.750 1.00 41.42 O ATOM 86 CB ALA A 7 9.040 -6.868 3.941 1.00 51.45 C ATOM 0 H ALA A 7 9.051 -4.838 2.549 1.00 24.24 H new ATOM 0 HA ALA A 7 7.952 -5.419 5.078 1.00 53.43 H new ATOM 0 HB1 ALA A 7 9.050 -7.610 4.740 1.00 51.45 H new ATOM 0 HB2 ALA A 7 8.200 -7.064 3.275 1.00 51.45 H new ATOM 0 HB3 ALA A 7 9.971 -6.929 3.378 1.00 51.45 H new ATOM 92 N PHE A 8 11.213 -4.932 5.019 1.00 61.15 N ATOM 93 CA PHE A 8 12.370 -4.661 5.863 1.00 24.24 C ATOM 94 C PHE A 8 12.175 -3.372 6.656 1.00 3.01 C ATOM 95 O PHE A 8 12.663 -3.241 7.779 1.00 64.13 O ATOM 96 CB PHE A 8 13.638 -4.563 5.012 1.00 1.13 C ATOM 97 CG PHE A 8 13.775 -5.673 4.010 1.00 74.11 C ATOM 98 CD1 PHE A 8 13.526 -6.987 4.373 1.00 2.14 C ATOM 99 CD2 PHE A 8 14.151 -5.403 2.704 1.00 11.01 C ATOM 100 CE1 PHE A 8 13.652 -8.010 3.453 1.00 31.31 C ATOM 101 CE2 PHE A 8 14.278 -6.422 1.779 1.00 32.32 C ATOM 102 CZ PHE A 8 14.027 -7.728 2.154 1.00 10.42 C ATOM 0 H PHE A 8 11.402 -4.887 4.018 1.00 61.15 H new ATOM 0 HA PHE A 8 12.476 -5.487 6.566 1.00 24.24 H new ATOM 0 HB2 PHE A 8 13.640 -3.608 4.487 1.00 1.13 H new ATOM 0 HB3 PHE A 8 14.508 -4.568 5.669 1.00 1.13 H new ATOM 0 HD1 PHE A 8 13.230 -7.214 5.387 1.00 2.14 H new ATOM 0 HD2 PHE A 8 14.347 -4.384 2.405 1.00 11.01 H new ATOM 0 HE1 PHE A 8 13.457 -9.030 3.750 1.00 31.31 H new ATOM 0 HE2 PHE A 8 14.573 -6.198 0.765 1.00 32.32 H new ATOM 0 HZ PHE A 8 14.124 -8.526 1.433 1.00 10.42 H new ATOM 112 N ARG A 9 11.459 -2.423 6.063 1.00 12.41 N ATOM 113 CA ARG A 9 11.200 -1.143 6.712 1.00 3.11 C ATOM 114 C ARG A 9 10.095 -1.276 7.756 1.00 62.12 C ATOM 115 O ARG A 9 10.113 -0.599 8.783 1.00 50.51 O ATOM 116 CB ARG A 9 10.811 -0.090 5.673 1.00 0.42 C ATOM 117 CG ARG A 9 11.959 0.325 4.767 1.00 75.13 C ATOM 118 CD ARG A 9 11.469 1.165 3.597 1.00 21.32 C ATOM 119 NE ARG A 9 10.598 2.253 4.032 1.00 52.23 N ATOM 120 CZ ARG A 9 9.878 2.996 3.198 1.00 61.20 C ATOM 121 NH1 ARG A 9 9.925 2.768 1.893 1.00 62.13 N ATOM 122 NH2 ARG A 9 9.109 3.968 3.670 1.00 54.53 N ATOM 0 H ARG A 9 11.048 -2.516 5.134 1.00 12.41 H new ATOM 0 HA ARG A 9 12.114 -0.827 7.215 1.00 3.11 H new ATOM 0 HB2 ARG A 9 9.998 -0.480 5.060 1.00 0.42 H new ATOM 0 HB3 ARG A 9 10.428 0.792 6.187 1.00 0.42 H new ATOM 0 HG2 ARG A 9 12.691 0.892 5.342 1.00 75.13 H new ATOM 0 HG3 ARG A 9 12.467 -0.563 4.391 1.00 75.13 H new ATOM 0 HD2 ARG A 9 12.325 1.577 3.063 1.00 21.32 H new ATOM 0 HD3 ARG A 9 10.931 0.529 2.894 1.00 21.32 H new ATOM 0 HE ARG A 9 10.539 2.454 5.030 1.00 52.23 H new ATOM 0 HH11 ARG A 9 10.515 2.021 1.527 1.00 62.13 H new ATOM 0 HH12 ARG A 9 9.371 3.340 1.255 1.00 62.13 H new ATOM 0 HH21 ARG A 9 9.070 4.146 4.674 1.00 54.53 H new ATOM 0 HH22 ARG A 9 8.557 4.538 3.029 1.00 54.53 H new ATOM 136 N ALA A 10 9.135 -2.154 7.484 1.00 13.44 N ATOM 137 CA ALA A 10 8.023 -2.377 8.400 1.00 13.31 C ATOM 138 C ALA A 10 8.458 -3.212 9.599 1.00 21.22 C ATOM 139 O ALA A 10 7.870 -3.121 10.677 1.00 31.21 O ATOM 140 CB ALA A 10 6.869 -3.053 7.674 1.00 12.44 C ATOM 0 H ALA A 10 9.105 -2.722 6.637 1.00 13.44 H new ATOM 0 HA ALA A 10 7.688 -1.407 8.769 1.00 13.31 H new ATOM 0 HB1 ALA A 10 6.045 -3.214 8.370 1.00 12.44 H new ATOM 0 HB2 ALA A 10 6.533 -2.418 6.854 1.00 12.44 H new ATOM 0 HB3 ALA A 10 7.201 -4.012 7.277 1.00 12.44 H new ATOM 146 N ILE A 11 9.490 -4.026 9.404 1.00 5.50 N ATOM 147 CA ILE A 11 10.004 -4.877 10.470 1.00 10.41 C ATOM 148 C ILE A 11 10.259 -4.073 11.741 1.00 53.13 C ATOM 149 O ILE A 11 10.181 -4.604 12.848 1.00 5.21 O ATOM 150 CB ILE A 11 11.309 -5.579 10.050 1.00 34.35 C ATOM 151 CG1 ILE A 11 11.490 -6.879 10.838 1.00 54.23 C ATOM 152 CG2 ILE A 11 12.499 -4.656 10.261 1.00 1.23 C ATOM 153 CD1 ILE A 11 12.013 -8.025 10.000 1.00 10.43 C ATOM 0 H ILE A 11 9.987 -4.114 8.517 1.00 5.50 H new ATOM 0 HA ILE A 11 9.242 -5.631 10.667 1.00 10.41 H new ATOM 0 HB ILE A 11 11.248 -5.824 8.990 1.00 34.35 H new ATOM 0 HG12 ILE A 11 12.178 -6.701 11.665 1.00 54.23 H new ATOM 0 HG13 ILE A 11 10.534 -7.166 11.275 1.00 54.23 H new ATOM 0 HG21 ILE A 11 13.414 -5.167 9.960 1.00 1.23 H new ATOM 0 HG22 ILE A 11 12.372 -3.755 9.661 1.00 1.23 H new ATOM 0 HG23 ILE A 11 12.566 -4.384 11.314 1.00 1.23 H new ATOM 0 HD11 ILE A 11 12.117 -8.913 10.623 1.00 10.43 H new ATOM 0 HD12 ILE A 11 11.315 -8.230 9.188 1.00 10.43 H new ATOM 0 HD13 ILE A 11 12.985 -7.758 9.584 1.00 10.43 H new ATOM 165 N GLU A 12 10.561 -2.789 11.572 1.00 72.30 N ATOM 166 CA GLU A 12 10.826 -1.912 12.706 1.00 33.13 C ATOM 167 C GLU A 12 9.648 -1.907 13.677 1.00 51.34 C ATOM 168 O GLU A 12 9.829 -1.792 14.889 1.00 43.22 O ATOM 169 CB GLU A 12 11.109 -0.488 12.223 1.00 71.20 C ATOM 170 CG GLU A 12 11.814 0.376 13.255 1.00 31.10 C ATOM 171 CD GLU A 12 11.221 1.768 13.354 1.00 74.13 C ATOM 172 OE1 GLU A 12 10.034 1.881 13.727 1.00 2.31 O ATOM 173 OE2 GLU A 12 11.942 2.743 13.058 1.00 52.24 O ATOM 0 H GLU A 12 10.628 -2.334 10.662 1.00 72.30 H new ATOM 0 HA GLU A 12 11.704 -2.292 13.229 1.00 33.13 H new ATOM 0 HB2 GLU A 12 11.720 -0.534 11.321 1.00 71.20 H new ATOM 0 HB3 GLU A 12 10.168 -0.013 11.946 1.00 71.20 H new ATOM 0 HG2 GLU A 12 11.757 -0.109 14.229 1.00 31.10 H new ATOM 0 HG3 GLU A 12 12.871 0.453 12.998 1.00 31.10 H new ATOM 180 N ARG A 13 8.441 -2.031 13.134 1.00 62.32 N ATOM 181 CA ARG A 13 7.233 -2.039 13.950 1.00 24.03 C ATOM 182 C ARG A 13 7.088 -3.363 14.694 1.00 24.51 C ATOM 183 O ARG A 13 6.590 -3.404 15.818 1.00 15.13 O ATOM 184 CB ARG A 13 6.001 -1.794 13.078 1.00 72.32 C ATOM 185 CG ARG A 13 5.060 -0.738 13.635 1.00 21.50 C ATOM 186 CD ARG A 13 5.078 0.525 12.789 1.00 14.35 C ATOM 187 NE ARG A 13 3.785 1.205 12.794 1.00 71.33 N ATOM 188 CZ ARG A 13 3.499 2.246 12.020 1.00 4.22 C ATOM 189 NH1 ARG A 13 4.411 2.725 11.185 1.00 73.05 N ATOM 190 NH2 ARG A 13 2.300 2.811 12.081 1.00 21.43 N ATOM 0 H ARG A 13 8.274 -2.127 12.132 1.00 62.32 H new ATOM 0 HA ARG A 13 7.315 -1.237 14.684 1.00 24.03 H new ATOM 0 HB2 ARG A 13 6.326 -1.491 12.083 1.00 72.32 H new ATOM 0 HB3 ARG A 13 5.455 -2.731 12.964 1.00 72.32 H new ATOM 0 HG2 ARG A 13 4.046 -1.137 13.674 1.00 21.50 H new ATOM 0 HG3 ARG A 13 5.347 -0.496 14.658 1.00 21.50 H new ATOM 0 HD2 ARG A 13 5.845 1.202 13.165 1.00 14.35 H new ATOM 0 HD3 ARG A 13 5.350 0.271 11.765 1.00 14.35 H new ATOM 0 HE ARG A 13 3.062 0.862 13.426 1.00 71.33 H new ATOM 0 HH11 ARG A 13 5.334 2.294 11.136 1.00 73.05 H new ATOM 0 HH12 ARG A 13 4.189 3.524 10.592 1.00 73.05 H new ATOM 0 HH21 ARG A 13 1.596 2.446 12.723 1.00 21.43 H new ATOM 0 HH22 ARG A 13 2.082 3.610 11.486 1.00 21.43 H new ATOM 204 N ALA A 14 7.528 -4.445 14.058 1.00 13.41 N ATOM 205 CA ALA A 14 7.448 -5.770 14.660 1.00 43.23 C ATOM 206 C ALA A 14 8.252 -5.834 15.954 1.00 20.20 C ATOM 207 O ALA A 14 7.746 -6.270 16.989 1.00 41.04 O ATOM 208 CB ALA A 14 7.938 -6.825 13.679 1.00 42.10 C ATOM 0 H ALA A 14 7.943 -4.429 13.126 1.00 13.41 H new ATOM 0 HA ALA A 14 6.404 -5.971 14.901 1.00 43.23 H new ATOM 0 HB1 ALA A 14 7.873 -7.810 14.141 1.00 42.10 H new ATOM 0 HB2 ALA A 14 7.319 -6.803 12.782 1.00 42.10 H new ATOM 0 HB3 ALA A 14 8.974 -6.618 13.410 1.00 42.10 H new ATOM 214 N ILE A 15 9.506 -5.399 15.889 1.00 54.42 N ATOM 215 CA ILE A 15 10.378 -5.407 17.056 1.00 3.22 C ATOM 216 C ILE A 15 9.882 -4.434 18.121 1.00 71.14 C ATOM 217 O ILE A 15 10.026 -4.682 19.317 1.00 23.42 O ATOM 218 CB ILE A 15 11.826 -5.042 16.679 1.00 24.42 C ATOM 219 CG1 ILE A 15 12.738 -5.153 17.903 1.00 65.43 C ATOM 220 CG2 ILE A 15 11.884 -3.639 16.094 1.00 23.21 C ATOM 221 CD1 ILE A 15 14.102 -5.729 17.590 1.00 73.52 C ATOM 0 H ILE A 15 9.940 -5.037 15.040 1.00 54.42 H new ATOM 0 HA ILE A 15 10.359 -6.421 17.456 1.00 3.22 H new ATOM 0 HB ILE A 15 12.177 -5.744 15.923 1.00 24.42 H new ATOM 0 HG12 ILE A 15 12.863 -4.164 18.344 1.00 65.43 H new ATOM 0 HG13 ILE A 15 12.252 -5.777 18.653 1.00 65.43 H new ATOM 0 HG21 ILE A 15 12.914 -3.396 15.833 1.00 23.21 H new ATOM 0 HG22 ILE A 15 11.262 -3.591 15.200 1.00 23.21 H new ATOM 0 HG23 ILE A 15 11.518 -2.923 16.829 1.00 23.21 H new ATOM 0 HD11 ILE A 15 14.694 -5.778 18.504 1.00 73.52 H new ATOM 0 HD12 ILE A 15 13.988 -6.731 17.177 1.00 73.52 H new ATOM 0 HD13 ILE A 15 14.608 -5.093 16.864 1.00 73.52 H new ATOM 233 N GLN A 16 9.295 -3.328 17.676 1.00 43.43 N ATOM 234 CA GLN A 16 8.776 -2.318 18.591 1.00 42.13 C ATOM 235 C GLN A 16 7.722 -2.914 19.518 1.00 53.15 C ATOM 236 O GLN A 16 7.476 -2.398 20.607 1.00 0.52 O ATOM 237 CB GLN A 16 8.181 -1.147 17.807 1.00 35.11 C ATOM 238 CG GLN A 16 9.092 0.068 17.742 1.00 31.10 C ATOM 239 CD GLN A 16 8.819 1.062 18.854 1.00 44.04 C ATOM 240 OE1 GLN A 16 7.672 1.430 19.105 1.00 14.23 O ATOM 241 NE2 GLN A 16 9.876 1.502 19.526 1.00 1.54 N ATOM 0 H GLN A 16 9.167 -3.108 16.688 1.00 43.43 H new ATOM 0 HA GLN A 16 9.604 -1.955 19.199 1.00 42.13 H new ATOM 0 HB2 GLN A 16 7.956 -1.477 16.793 1.00 35.11 H new ATOM 0 HB3 GLN A 16 7.235 -0.857 18.265 1.00 35.11 H new ATOM 0 HG2 GLN A 16 10.131 -0.258 17.798 1.00 31.10 H new ATOM 0 HG3 GLN A 16 8.964 0.562 16.779 1.00 31.10 H new ATOM 0 HE21 GLN A 16 10.809 1.169 19.283 1.00 1.54 H new ATOM 0 HE22 GLN A 16 9.755 2.173 20.285 1.00 1.54 H new ATOM 250 N ALA A 17 7.101 -4.003 19.077 1.00 63.34 N ATOM 251 CA ALA A 17 6.074 -4.670 19.867 1.00 24.34 C ATOM 252 C ALA A 17 6.568 -4.953 21.282 1.00 22.11 C ATOM 253 O ALA A 17 5.906 -4.609 22.260 1.00 35.43 O ATOM 254 CB ALA A 17 5.642 -5.962 19.189 1.00 0.12 C ATOM 0 H ALA A 17 7.292 -4.442 18.176 1.00 63.34 H new ATOM 0 HA ALA A 17 5.214 -4.004 19.936 1.00 24.34 H new ATOM 0 HB1 ALA A 17 4.875 -6.449 19.790 1.00 0.12 H new ATOM 0 HB2 ALA A 17 5.241 -5.738 18.201 1.00 0.12 H new ATOM 0 HB3 ALA A 17 6.501 -6.626 19.090 1.00 0.12 H new ATOM 260 N GLU A 18 7.735 -5.582 21.382 1.00 2.21 N ATOM 261 CA GLU A 18 8.316 -5.912 22.678 1.00 12.44 C ATOM 262 C GLU A 18 7.426 -6.889 23.440 1.00 31.53 C ATOM 263 O GLU A 18 6.910 -6.571 24.511 1.00 41.13 O ATOM 264 CB GLU A 18 8.523 -4.642 23.507 1.00 25.10 C ATOM 265 CG GLU A 18 9.192 -3.515 22.737 1.00 34.42 C ATOM 266 CD GLU A 18 10.450 -3.011 23.416 1.00 0.25 C ATOM 267 OE1 GLU A 18 11.170 -3.834 24.019 1.00 44.32 O ATOM 268 OE2 GLU A 18 10.714 -1.792 23.345 1.00 61.20 O ATOM 0 H GLU A 18 8.296 -5.873 20.582 1.00 2.21 H new ATOM 0 HA GLU A 18 9.282 -6.386 22.504 1.00 12.44 H new ATOM 0 HB2 GLU A 18 7.557 -4.296 23.874 1.00 25.10 H new ATOM 0 HB3 GLU A 18 9.128 -4.883 24.381 1.00 25.10 H new ATOM 0 HG2 GLU A 18 9.439 -3.862 21.734 1.00 34.42 H new ATOM 0 HG3 GLU A 18 8.489 -2.690 22.624 1.00 34.42 H new ATOM 275 N ASN A 19 7.251 -8.081 22.879 1.00 75.40 N ATOM 276 CA ASN A 19 6.422 -9.106 23.504 1.00 21.20 C ATOM 277 C ASN A 19 4.970 -8.649 23.597 1.00 35.24 C ATOM 278 O ASN A 19 4.626 -7.806 24.426 1.00 63.53 O ATOM 279 CB ASN A 19 6.954 -9.440 24.899 1.00 20.52 C ATOM 280 CG ASN A 19 6.439 -10.772 25.411 1.00 71.05 C ATOM 281 OD1 ASN A 19 5.669 -10.825 26.370 1.00 71.44 O ATOM 282 ND2 ASN A 19 6.863 -11.856 24.771 1.00 42.54 N ATOM 0 H ASN A 19 7.672 -8.361 21.993 1.00 75.40 H new ATOM 0 HA ASN A 19 6.463 -10.001 22.883 1.00 21.20 H new ATOM 0 HB2 ASN A 19 8.044 -9.460 24.874 1.00 20.52 H new ATOM 0 HB3 ASN A 19 6.666 -8.651 25.593 1.00 20.52 H new ATOM 0 HD21 ASN A 19 6.550 -12.780 25.070 1.00 42.54 H new ATOM 0 HD22 ASN A 19 7.501 -11.765 23.981 1.00 42.54 H new ATOM 289 N GLU A 20 4.122 -9.212 22.742 1.00 35.13 N ATOM 290 CA GLU A 20 2.706 -8.862 22.729 1.00 41.22 C ATOM 291 C GLU A 20 1.864 -10.020 22.201 1.00 0.11 C ATOM 292 O GLU A 20 0.840 -10.373 22.784 1.00 20.31 O ATOM 293 CB GLU A 20 2.474 -7.616 21.871 1.00 24.11 C ATOM 294 CG GLU A 20 2.816 -6.317 22.581 1.00 52.55 C ATOM 295 CD GLU A 20 2.088 -6.165 23.902 1.00 11.31 C ATOM 296 OE1 GLU A 20 0.872 -6.447 23.945 1.00 51.23 O ATOM 297 OE2 GLU A 20 2.733 -5.764 24.893 1.00 43.20 O ATOM 0 H GLU A 20 4.390 -9.912 22.050 1.00 35.13 H new ATOM 0 HA GLU A 20 2.401 -8.651 23.754 1.00 41.22 H new ATOM 0 HB2 GLU A 20 3.073 -7.693 20.964 1.00 24.11 H new ATOM 0 HB3 GLU A 20 1.429 -7.587 21.562 1.00 24.11 H new ATOM 0 HG2 GLU A 20 3.891 -6.275 22.756 1.00 52.55 H new ATOM 0 HG3 GLU A 20 2.565 -5.477 21.934 1.00 52.55 H new ATOM 304 N GLY A 21 2.304 -10.607 21.092 1.00 50.31 N ATOM 305 CA GLY A 21 1.580 -11.718 20.503 1.00 15.21 C ATOM 306 C GLY A 21 1.302 -11.512 19.027 1.00 22.11 C ATOM 307 O GLY A 21 1.197 -12.476 18.268 1.00 4.32 O ATOM 0 H GLY A 21 3.149 -10.333 20.591 1.00 50.31 H new ATOM 0 HA2 GLY A 21 2.155 -12.634 20.637 1.00 15.21 H new ATOM 0 HA3 GLY A 21 0.637 -11.854 21.032 1.00 15.21 H new ATOM 311 N ARG A 22 1.181 -10.253 18.619 1.00 5.02 N ATOM 312 CA ARG A 22 0.911 -9.924 17.225 1.00 65.33 C ATOM 313 C ARG A 22 2.191 -9.980 16.395 1.00 2.25 C ATOM 314 O ARG A 22 2.146 -10.132 15.174 1.00 13.35 O ATOM 315 CB ARG A 22 0.282 -8.534 17.119 1.00 45.21 C ATOM 316 CG ARG A 22 1.258 -7.401 17.396 1.00 33.42 C ATOM 317 CD ARG A 22 0.534 -6.079 17.594 1.00 50.34 C ATOM 318 NE ARG A 22 0.901 -5.097 16.577 1.00 50.22 N ATOM 319 CZ ARG A 22 2.085 -4.496 16.528 1.00 31.35 C ATOM 320 NH1 ARG A 22 3.011 -4.776 17.434 1.00 25.44 N ATOM 321 NH2 ARG A 22 2.344 -3.614 15.572 1.00 10.20 N ATOM 0 H ARG A 22 1.266 -9.444 19.234 1.00 5.02 H new ATOM 0 HA ARG A 22 0.212 -10.662 16.833 1.00 65.33 H new ATOM 0 HB2 ARG A 22 -0.134 -8.408 16.119 1.00 45.21 H new ATOM 0 HB3 ARG A 22 -0.549 -8.466 17.821 1.00 45.21 H new ATOM 0 HG2 ARG A 22 1.844 -7.633 18.285 1.00 33.42 H new ATOM 0 HG3 ARG A 22 1.959 -7.312 16.566 1.00 33.42 H new ATOM 0 HD2 ARG A 22 -0.543 -6.247 17.564 1.00 50.34 H new ATOM 0 HD3 ARG A 22 0.767 -5.682 18.582 1.00 50.34 H new ATOM 0 HE ARG A 22 0.210 -4.859 15.865 1.00 50.22 H new ATOM 0 HH11 ARG A 22 2.815 -5.454 18.171 1.00 25.44 H new ATOM 0 HH12 ARG A 22 3.919 -4.314 17.395 1.00 25.44 H new ATOM 0 HH21 ARG A 22 1.634 -3.396 14.873 1.00 10.20 H new ATOM 0 HH22 ARG A 22 3.253 -3.153 15.536 1.00 10.20 H new ATOM 335 N TYR A 23 3.331 -9.855 17.067 1.00 74.23 N ATOM 336 CA TYR A 23 4.623 -9.888 16.392 1.00 73.10 C ATOM 337 C TYR A 23 4.739 -11.119 15.498 1.00 24.02 C ATOM 338 O TYR A 23 5.445 -11.103 14.489 1.00 15.32 O ATOM 339 CB TYR A 23 5.758 -9.879 17.418 1.00 74.45 C ATOM 340 CG TYR A 23 5.945 -11.203 18.124 1.00 1.24 C ATOM 341 CD1 TYR A 23 4.987 -11.682 19.009 1.00 23.31 C ATOM 342 CD2 TYR A 23 7.080 -11.974 17.906 1.00 22.15 C ATOM 343 CE1 TYR A 23 5.155 -12.890 19.658 1.00 61.44 C ATOM 344 CE2 TYR A 23 7.256 -13.184 18.549 1.00 33.25 C ATOM 345 CZ TYR A 23 6.291 -13.638 19.424 1.00 13.24 C ATOM 346 OH TYR A 23 6.461 -14.842 20.067 1.00 32.53 O ATOM 0 H TYR A 23 3.386 -9.730 18.078 1.00 74.23 H new ATOM 0 HA TYR A 23 4.701 -8.999 15.766 1.00 73.10 H new ATOM 0 HB2 TYR A 23 6.688 -9.609 16.917 1.00 74.45 H new ATOM 0 HB3 TYR A 23 5.560 -9.106 18.160 1.00 74.45 H new ATOM 0 HD1 TYR A 23 4.096 -11.100 19.193 1.00 23.31 H new ATOM 0 HD2 TYR A 23 7.838 -11.621 17.222 1.00 22.15 H new ATOM 0 HE1 TYR A 23 4.402 -13.247 20.345 1.00 61.44 H new ATOM 0 HE2 TYR A 23 8.144 -13.771 18.368 1.00 33.25 H new ATOM 0 HH TYR A 23 7.312 -15.243 19.791 1.00 32.53 H new ATOM 356 N ARG A 24 4.042 -12.185 15.877 1.00 72.15 N ATOM 357 CA ARG A 24 4.066 -13.425 15.111 1.00 65.42 C ATOM 358 C ARG A 24 3.264 -13.284 13.821 1.00 71.13 C ATOM 359 O ARG A 24 3.643 -13.822 12.781 1.00 44.40 O ATOM 360 CB ARG A 24 3.508 -14.578 15.948 1.00 51.32 C ATOM 361 CG ARG A 24 2.037 -14.420 16.296 1.00 73.44 C ATOM 362 CD ARG A 24 1.151 -15.206 15.341 1.00 25.41 C ATOM 363 NE ARG A 24 -0.095 -15.630 15.974 1.00 63.22 N ATOM 364 CZ ARG A 24 -0.156 -16.539 16.941 1.00 41.40 C ATOM 365 NH1 ARG A 24 0.953 -17.115 17.385 1.00 75.24 N ATOM 366 NH2 ARG A 24 -1.328 -16.872 17.467 1.00 42.41 N ATOM 0 H ARG A 24 3.454 -12.215 16.710 1.00 72.15 H new ATOM 0 HA ARG A 24 5.102 -13.642 14.852 1.00 65.42 H new ATOM 0 HB2 ARG A 24 3.646 -15.512 15.403 1.00 51.32 H new ATOM 0 HB3 ARG A 24 4.084 -14.659 16.870 1.00 51.32 H new ATOM 0 HG2 ARG A 24 1.865 -14.760 17.317 1.00 73.44 H new ATOM 0 HG3 ARG A 24 1.765 -13.365 16.261 1.00 73.44 H new ATOM 0 HD2 ARG A 24 0.924 -14.593 14.469 1.00 25.41 H new ATOM 0 HD3 ARG A 24 1.692 -16.082 14.983 1.00 25.41 H new ATOM 0 HE ARG A 24 -0.966 -15.205 15.656 1.00 63.22 H new ATOM 0 HH11 ARG A 24 1.856 -16.860 16.984 1.00 75.24 H new ATOM 0 HH12 ARG A 24 0.903 -17.813 18.128 1.00 75.24 H new ATOM 0 HH21 ARG A 24 -2.183 -16.430 17.129 1.00 42.41 H new ATOM 0 HH22 ARG A 24 -1.374 -17.570 18.209 1.00 42.41 H new ATOM 380 N GLU A 25 2.153 -12.558 13.897 1.00 1.34 N ATOM 381 CA GLU A 25 1.297 -12.348 12.736 1.00 50.52 C ATOM 382 C GLU A 25 1.913 -11.326 11.784 1.00 73.01 C ATOM 383 O GLU A 25 1.606 -11.309 10.592 1.00 11.33 O ATOM 384 CB GLU A 25 -0.091 -11.879 13.176 1.00 54.30 C ATOM 385 CG GLU A 25 -0.248 -10.367 13.188 1.00 30.43 C ATOM 386 CD GLU A 25 -1.289 -9.897 14.186 1.00 44.22 C ATOM 387 OE1 GLU A 25 -1.459 -10.566 15.226 1.00 1.54 O ATOM 388 OE2 GLU A 25 -1.933 -8.859 13.925 1.00 4.12 O ATOM 0 H GLU A 25 1.825 -12.106 14.750 1.00 1.34 H new ATOM 0 HA GLU A 25 1.202 -13.298 12.210 1.00 50.52 H new ATOM 0 HB2 GLU A 25 -0.839 -12.308 12.509 1.00 54.30 H new ATOM 0 HB3 GLU A 25 -0.296 -12.265 14.175 1.00 54.30 H new ATOM 0 HG2 GLU A 25 0.711 -9.908 13.426 1.00 30.43 H new ATOM 0 HG3 GLU A 25 -0.526 -10.026 12.191 1.00 30.43 H new ATOM 395 N ALA A 26 2.782 -10.476 12.320 1.00 45.14 N ATOM 396 CA ALA A 26 3.443 -9.452 11.519 1.00 75.42 C ATOM 397 C ALA A 26 4.539 -10.058 10.649 1.00 21.13 C ATOM 398 O ALA A 26 4.661 -9.731 9.468 1.00 75.11 O ATOM 399 CB ALA A 26 4.018 -8.368 12.418 1.00 32.20 C ATOM 0 H ALA A 26 3.045 -10.476 13.305 1.00 45.14 H new ATOM 0 HA ALA A 26 2.699 -9.005 10.860 1.00 75.42 H new ATOM 0 HB1 ALA A 26 4.508 -7.610 11.807 1.00 32.20 H new ATOM 0 HB2 ALA A 26 3.214 -7.907 12.992 1.00 32.20 H new ATOM 0 HB3 ALA A 26 4.744 -8.809 13.101 1.00 32.20 H new ATOM 405 N LEU A 27 5.336 -10.941 11.240 1.00 20.33 N ATOM 406 CA LEU A 27 6.424 -11.593 10.519 1.00 1.23 C ATOM 407 C LEU A 27 5.901 -12.320 9.285 1.00 73.01 C ATOM 408 O LEU A 27 6.610 -12.467 8.290 1.00 45.24 O ATOM 409 CB LEU A 27 7.151 -12.578 11.436 1.00 64.33 C ATOM 410 CG LEU A 27 8.154 -11.969 12.416 1.00 13.53 C ATOM 411 CD1 LEU A 27 8.777 -13.051 13.284 1.00 3.41 C ATOM 412 CD2 LEU A 27 9.230 -11.197 11.667 1.00 3.44 C ATOM 0 H LEU A 27 5.249 -11.222 12.217 1.00 20.33 H new ATOM 0 HA LEU A 27 7.124 -10.824 10.194 1.00 1.23 H new ATOM 0 HB2 LEU A 27 6.405 -13.130 12.007 1.00 64.33 H new ATOM 0 HB3 LEU A 27 7.676 -13.303 10.814 1.00 64.33 H new ATOM 0 HG LEU A 27 7.622 -11.274 13.065 1.00 13.53 H new ATOM 0 HD11 LEU A 27 9.488 -12.598 13.975 1.00 3.41 H new ATOM 0 HD12 LEU A 27 7.995 -13.559 13.849 1.00 3.41 H new ATOM 0 HD13 LEU A 27 9.295 -13.772 12.651 1.00 3.41 H new ATOM 0 HD21 LEU A 27 9.935 -10.770 12.380 1.00 3.44 H new ATOM 0 HD22 LEU A 27 9.759 -11.871 10.993 1.00 3.44 H new ATOM 0 HD23 LEU A 27 8.768 -10.396 11.090 1.00 3.44 H new ATOM 424 N LYS A 28 4.653 -12.772 9.355 1.00 23.24 N ATOM 425 CA LYS A 28 4.032 -13.481 8.243 1.00 32.22 C ATOM 426 C LYS A 28 4.060 -12.635 6.975 1.00 41.34 C ATOM 427 O LYS A 28 4.138 -13.163 5.865 1.00 21.41 O ATOM 428 CB LYS A 28 2.588 -13.851 8.590 1.00 10.02 C ATOM 429 CG LYS A 28 2.157 -15.201 8.042 1.00 3.44 C ATOM 430 CD LYS A 28 1.284 -15.049 6.808 1.00 3.50 C ATOM 431 CE LYS A 28 -0.146 -15.487 7.080 1.00 74.52 C ATOM 432 NZ LYS A 28 -0.818 -15.985 5.847 1.00 43.20 N ATOM 0 H LYS A 28 4.052 -12.659 10.171 1.00 23.24 H new ATOM 0 HA LYS A 28 4.601 -14.393 8.063 1.00 32.22 H new ATOM 0 HB2 LYS A 28 2.473 -13.855 9.674 1.00 10.02 H new ATOM 0 HB3 LYS A 28 1.921 -13.081 8.202 1.00 10.02 H new ATOM 0 HG2 LYS A 28 3.039 -15.792 7.795 1.00 3.44 H new ATOM 0 HG3 LYS A 28 1.611 -15.749 8.810 1.00 3.44 H new ATOM 0 HD2 LYS A 28 1.291 -14.009 6.482 1.00 3.50 H new ATOM 0 HD3 LYS A 28 1.698 -15.642 5.993 1.00 3.50 H new ATOM 0 HE2 LYS A 28 -0.148 -16.272 7.837 1.00 74.52 H new ATOM 0 HE3 LYS A 28 -0.711 -14.649 7.488 1.00 74.52 H new ATOM 0 HZ1 LYS A 28 -1.791 -16.274 6.074 1.00 43.20 H new ATOM 0 HZ2 LYS A 28 -0.839 -15.229 5.134 1.00 43.20 H new ATOM 0 HZ3 LYS A 28 -0.294 -16.801 5.471 1.00 43.20 H new ATOM 446 N HIS A 29 3.998 -11.318 7.146 1.00 54.14 N ATOM 447 CA HIS A 29 4.018 -10.398 6.014 1.00 62.23 C ATOM 448 C HIS A 29 5.423 -10.287 5.430 1.00 43.33 C ATOM 449 O HIS A 29 5.593 -10.122 4.221 1.00 23.25 O ATOM 450 CB HIS A 29 3.520 -9.018 6.442 1.00 4.52 C ATOM 451 CG HIS A 29 2.409 -8.490 5.588 1.00 35.15 C ATOM 452 ND1 HIS A 29 1.076 -8.633 5.915 1.00 64.13 N ATOM 453 CD2 HIS A 29 2.437 -7.815 4.415 1.00 33.35 C ATOM 454 CE1 HIS A 29 0.333 -8.071 4.978 1.00 3.35 C ATOM 455 NE2 HIS A 29 1.135 -7.567 4.057 1.00 14.44 N ATOM 0 H HIS A 29 3.934 -10.864 8.057 1.00 54.14 H new ATOM 0 HA HIS A 29 3.354 -10.792 5.245 1.00 62.23 H new ATOM 0 HB2 HIS A 29 3.179 -9.069 7.476 1.00 4.52 H new ATOM 0 HB3 HIS A 29 4.353 -8.316 6.415 1.00 4.52 H new ATOM 0 HD2 HIS A 29 3.319 -7.525 3.863 1.00 33.35 H new ATOM 0 HE1 HIS A 29 -0.746 -8.031 4.967 1.00 3.35 H new ATOM 0 HE2 HIS A 29 0.835 -7.074 3.216 1.00 14.44 H new ATOM 463 N PHE A 30 6.427 -10.377 6.296 1.00 45.45 N ATOM 464 CA PHE A 30 7.818 -10.284 5.866 1.00 70.11 C ATOM 465 C PHE A 30 8.291 -11.605 5.266 1.00 20.14 C ATOM 466 O PHE A 30 9.069 -11.624 4.311 1.00 12.44 O ATOM 467 CB PHE A 30 8.713 -9.896 7.044 1.00 23.25 C ATOM 468 CG PHE A 30 8.213 -8.705 7.811 1.00 60.31 C ATOM 469 CD1 PHE A 30 7.734 -7.588 7.146 1.00 64.01 C ATOM 470 CD2 PHE A 30 8.222 -8.703 9.196 1.00 31.05 C ATOM 471 CE1 PHE A 30 7.273 -6.491 7.848 1.00 11.51 C ATOM 472 CE2 PHE A 30 7.761 -7.609 9.904 1.00 43.20 C ATOM 473 CZ PHE A 30 7.287 -6.501 9.229 1.00 5.31 C ATOM 0 H PHE A 30 6.304 -10.514 7.299 1.00 45.45 H new ATOM 0 HA PHE A 30 7.885 -9.512 5.099 1.00 70.11 H new ATOM 0 HB2 PHE A 30 8.796 -10.746 7.722 1.00 23.25 H new ATOM 0 HB3 PHE A 30 9.716 -9.684 6.673 1.00 23.25 H new ATOM 0 HD1 PHE A 30 7.721 -7.575 6.066 1.00 64.01 H new ATOM 0 HD2 PHE A 30 8.593 -9.566 9.729 1.00 31.05 H new ATOM 0 HE1 PHE A 30 6.902 -5.627 7.317 1.00 11.51 H new ATOM 0 HE2 PHE A 30 7.771 -7.621 10.984 1.00 43.20 H new ATOM 0 HZ PHE A 30 6.928 -5.644 9.780 1.00 5.31 H new ATOM 483 N LEU A 31 7.817 -12.709 5.834 1.00 52.33 N ATOM 484 CA LEU A 31 8.191 -14.036 5.357 1.00 53.43 C ATOM 485 C LEU A 31 7.875 -14.190 3.872 1.00 0.44 C ATOM 486 O LEU A 31 8.613 -14.844 3.135 1.00 35.33 O ATOM 487 CB LEU A 31 7.459 -15.113 6.160 1.00 44.32 C ATOM 488 CG LEU A 31 8.337 -16.010 7.033 1.00 34.32 C ATOM 489 CD1 LEU A 31 9.203 -15.171 7.959 1.00 25.42 C ATOM 490 CD2 LEU A 31 7.478 -16.978 7.835 1.00 40.04 C ATOM 0 H LEU A 31 7.173 -12.711 6.625 1.00 52.33 H new ATOM 0 HA LEU A 31 9.266 -14.155 5.495 1.00 53.43 H new ATOM 0 HB2 LEU A 31 6.724 -14.625 6.799 1.00 44.32 H new ATOM 0 HB3 LEU A 31 6.907 -15.745 5.464 1.00 44.32 H new ATOM 0 HG LEU A 31 8.992 -16.589 6.382 1.00 34.32 H new ATOM 0 HD11 LEU A 31 9.821 -15.827 8.573 1.00 25.42 H new ATOM 0 HD12 LEU A 31 9.844 -14.519 7.366 1.00 25.42 H new ATOM 0 HD13 LEU A 31 8.566 -14.565 8.603 1.00 25.42 H new ATOM 0 HD21 LEU A 31 8.119 -17.609 8.451 1.00 40.04 H new ATOM 0 HD22 LEU A 31 6.798 -16.416 8.476 1.00 40.04 H new ATOM 0 HD23 LEU A 31 6.901 -17.603 7.153 1.00 40.04 H new ATOM 502 N ASP A 32 6.776 -13.581 3.440 1.00 2.24 N ATOM 503 CA ASP A 32 6.364 -13.647 2.043 1.00 24.30 C ATOM 504 C ASP A 32 7.292 -12.816 1.163 1.00 44.12 C ATOM 505 O ASP A 32 7.343 -13.001 -0.052 1.00 53.04 O ATOM 506 CB ASP A 32 4.923 -13.159 1.890 1.00 1.31 C ATOM 507 CG ASP A 32 4.297 -13.603 0.583 1.00 34.31 C ATOM 508 OD1 ASP A 32 4.616 -14.719 0.122 1.00 42.43 O ATOM 509 OD2 ASP A 32 3.487 -12.836 0.021 1.00 4.42 O ATOM 0 H ASP A 32 6.154 -13.036 4.038 1.00 2.24 H new ATOM 0 HA ASP A 32 6.423 -14.687 1.722 1.00 24.30 H new ATOM 0 HB2 ASP A 32 4.326 -13.533 2.721 1.00 1.31 H new ATOM 0 HB3 ASP A 32 4.903 -12.071 1.948 1.00 1.31 H new ATOM 514 N GLY A 33 8.026 -11.898 1.786 1.00 55.14 N ATOM 515 CA GLY A 33 8.941 -11.051 1.043 1.00 11.05 C ATOM 516 C GLY A 33 10.089 -11.832 0.436 1.00 44.54 C ATOM 517 O GLY A 33 10.515 -11.552 -0.684 1.00 45.30 O ATOM 0 H GLY A 33 8.003 -11.726 2.791 1.00 55.14 H new ATOM 0 HA2 GLY A 33 8.395 -10.538 0.251 1.00 11.05 H new ATOM 0 HA3 GLY A 33 9.339 -10.282 1.705 1.00 11.05 H new ATOM 521 N GLY A 34 10.594 -12.814 1.177 1.00 54.42 N ATOM 522 CA GLY A 34 11.696 -13.621 0.688 1.00 4.52 C ATOM 523 C GLY A 34 11.243 -14.700 -0.274 1.00 70.23 C ATOM 524 O GLY A 34 11.994 -15.104 -1.162 1.00 32.15 O ATOM 0 H GLY A 34 10.259 -13.065 2.107 1.00 54.42 H new ATOM 0 HA2 GLY A 34 12.421 -12.977 0.191 1.00 4.52 H new ATOM 0 HA3 GLY A 34 12.207 -14.083 1.533 1.00 4.52 H new ATOM 528 N GLU A 35 10.012 -15.169 -0.098 1.00 33.44 N ATOM 529 CA GLU A 35 9.461 -16.211 -0.957 1.00 3.00 C ATOM 530 C GLU A 35 9.258 -15.693 -2.378 1.00 13.22 C ATOM 531 O GLU A 35 9.109 -16.472 -3.318 1.00 71.24 O ATOM 532 CB GLU A 35 8.133 -16.720 -0.393 1.00 1.33 C ATOM 533 CG GLU A 35 8.227 -17.200 1.046 1.00 61.13 C ATOM 534 CD GLU A 35 8.197 -18.712 1.159 1.00 51.00 C ATOM 535 OE1 GLU A 35 8.924 -19.379 0.395 1.00 64.44 O ATOM 536 OE2 GLU A 35 7.445 -19.227 2.013 1.00 61.31 O ATOM 0 H GLU A 35 9.377 -14.844 0.631 1.00 33.44 H new ATOM 0 HA GLU A 35 10.173 -17.035 -0.987 1.00 3.00 H new ATOM 0 HB2 GLU A 35 7.393 -15.922 -0.453 1.00 1.33 H new ATOM 0 HB3 GLU A 35 7.772 -17.538 -1.017 1.00 1.33 H new ATOM 0 HG2 GLU A 35 9.148 -16.824 1.491 1.00 61.13 H new ATOM 0 HG3 GLU A 35 7.401 -16.780 1.620 1.00 61.13 H new ATOM 543 N MET A 36 9.252 -14.372 -2.524 1.00 52.14 N ATOM 544 CA MET A 36 9.067 -13.749 -3.830 1.00 61.21 C ATOM 545 C MET A 36 10.256 -14.036 -4.742 1.00 53.12 C ATOM 546 O MET A 36 10.083 -14.384 -5.911 1.00 2.23 O ATOM 547 CB MET A 36 8.880 -12.239 -3.677 1.00 12.45 C ATOM 548 CG MET A 36 7.533 -11.850 -3.090 1.00 14.24 C ATOM 549 SD MET A 36 6.365 -11.288 -4.343 1.00 51.24 S ATOM 550 CE MET A 36 5.421 -10.084 -3.412 1.00 21.14 C ATOM 0 H MET A 36 9.373 -13.713 -1.755 1.00 52.14 H new ATOM 0 HA MET A 36 8.172 -14.174 -4.284 1.00 61.21 H new ATOM 0 HB2 MET A 36 9.672 -11.846 -3.040 1.00 12.45 H new ATOM 0 HB3 MET A 36 8.992 -11.767 -4.653 1.00 12.45 H new ATOM 0 HG2 MET A 36 7.110 -12.705 -2.563 1.00 14.24 H new ATOM 0 HG3 MET A 36 7.677 -11.060 -2.353 1.00 14.24 H new ATOM 0 HE1 MET A 36 4.656 -9.647 -4.053 1.00 21.14 H new ATOM 0 HE2 MET A 36 4.946 -10.573 -2.562 1.00 21.14 H new ATOM 0 HE3 MET A 36 6.086 -9.298 -3.053 1.00 21.14 H new ATOM 560 N ILE A 37 11.460 -13.887 -4.201 1.00 62.33 N ATOM 561 CA ILE A 37 12.676 -14.131 -4.967 1.00 23.20 C ATOM 562 C ILE A 37 12.974 -15.624 -5.066 1.00 12.55 C ATOM 563 O ILE A 37 13.628 -16.076 -6.005 1.00 30.51 O ATOM 564 CB ILE A 37 13.889 -13.418 -4.340 1.00 52.22 C ATOM 565 CG1 ILE A 37 14.983 -13.208 -5.389 1.00 52.21 C ATOM 566 CG2 ILE A 37 14.423 -14.218 -3.162 1.00 65.21 C ATOM 567 CD1 ILE A 37 15.994 -12.151 -5.004 1.00 50.32 C ATOM 0 H ILE A 37 11.620 -13.599 -3.236 1.00 62.33 H new ATOM 0 HA ILE A 37 12.505 -13.730 -5.966 1.00 23.20 H new ATOM 0 HB ILE A 37 13.570 -12.442 -3.975 1.00 52.22 H new ATOM 0 HG12 ILE A 37 15.502 -14.152 -5.555 1.00 52.21 H new ATOM 0 HG13 ILE A 37 14.519 -12.928 -6.335 1.00 52.21 H new ATOM 0 HG21 ILE A 37 15.280 -13.701 -2.730 1.00 65.21 H new ATOM 0 HG22 ILE A 37 13.643 -14.320 -2.408 1.00 65.21 H new ATOM 0 HG23 ILE A 37 14.730 -15.207 -3.503 1.00 65.21 H new ATOM 0 HD11 ILE A 37 16.739 -12.056 -5.794 1.00 50.32 H new ATOM 0 HD12 ILE A 37 15.487 -11.196 -4.866 1.00 50.32 H new ATOM 0 HD13 ILE A 37 16.485 -12.439 -4.074 1.00 50.32 H new ATOM 579 N VAL A 38 12.487 -16.384 -4.090 1.00 22.10 N ATOM 580 CA VAL A 38 12.698 -17.827 -4.068 1.00 0.43 C ATOM 581 C VAL A 38 12.011 -18.501 -5.250 1.00 45.33 C ATOM 582 O VAL A 38 12.637 -19.250 -6.001 1.00 75.25 O ATOM 583 CB VAL A 38 12.174 -18.450 -2.760 1.00 62.45 C ATOM 584 CG1 VAL A 38 12.354 -19.961 -2.780 1.00 10.33 C ATOM 585 CG2 VAL A 38 12.877 -17.837 -1.559 1.00 1.21 C ATOM 0 H VAL A 38 11.944 -16.025 -3.305 1.00 22.10 H new ATOM 0 HA VAL A 38 13.773 -17.991 -4.135 1.00 0.43 H new ATOM 0 HB VAL A 38 11.109 -18.235 -2.676 1.00 62.45 H new ATOM 0 HG11 VAL A 38 11.979 -20.385 -1.848 1.00 10.33 H new ATOM 0 HG12 VAL A 38 11.800 -20.382 -3.619 1.00 10.33 H new ATOM 0 HG13 VAL A 38 13.412 -20.200 -2.887 1.00 10.33 H new ATOM 0 HG21 VAL A 38 12.494 -18.289 -0.644 1.00 1.21 H new ATOM 0 HG22 VAL A 38 13.949 -18.019 -1.633 1.00 1.21 H new ATOM 0 HG23 VAL A 38 12.692 -16.763 -1.538 1.00 1.21 H new ATOM 595 N THR A 39 10.720 -18.229 -5.411 1.00 41.05 N ATOM 596 CA THR A 39 9.947 -18.809 -6.502 1.00 63.24 C ATOM 597 C THR A 39 10.619 -18.556 -7.847 1.00 73.03 C ATOM 598 O THR A 39 10.490 -19.353 -8.776 1.00 22.43 O ATOM 599 CB THR A 39 8.516 -18.241 -6.541 1.00 71.30 C ATOM 600 OG1 THR A 39 7.814 -18.758 -7.677 1.00 44.14 O ATOM 601 CG2 THR A 39 8.538 -16.721 -6.600 1.00 63.44 C ATOM 0 H THR A 39 10.188 -17.610 -4.799 1.00 41.05 H new ATOM 0 HA THR A 39 9.899 -19.882 -6.319 1.00 63.24 H new ATOM 0 HB THR A 39 8.003 -18.546 -5.629 1.00 71.30 H new ATOM 0 HG1 THR A 39 6.905 -18.393 -7.693 1.00 44.14 H new ATOM 0 HG21 THR A 39 7.516 -16.343 -6.627 1.00 63.44 H new ATOM 0 HG22 THR A 39 9.046 -16.330 -5.719 1.00 63.44 H new ATOM 0 HG23 THR A 39 9.067 -16.399 -7.497 1.00 63.44 H new ATOM 609 N ALA A 40 11.336 -17.441 -7.945 1.00 31.42 N ATOM 610 CA ALA A 40 12.030 -17.085 -9.176 1.00 1.11 C ATOM 611 C ALA A 40 13.204 -18.023 -9.436 1.00 33.32 C ATOM 612 O ALA A 40 13.502 -18.357 -10.582 1.00 51.33 O ATOM 613 CB ALA A 40 12.509 -15.642 -9.113 1.00 24.22 C ATOM 0 H ALA A 40 11.451 -16.769 -7.186 1.00 31.42 H new ATOM 0 HA ALA A 40 11.327 -17.188 -10.003 1.00 1.11 H new ATOM 0 HB1 ALA A 40 13.026 -15.389 -10.039 1.00 24.22 H new ATOM 0 HB2 ALA A 40 11.653 -14.980 -8.983 1.00 24.22 H new ATOM 0 HB3 ALA A 40 13.192 -15.522 -8.272 1.00 24.22 H new ATOM 619 N ALA A 41 13.867 -18.445 -8.364 1.00 75.30 N ATOM 620 CA ALA A 41 15.007 -19.346 -8.477 1.00 33.33 C ATOM 621 C ALA A 41 14.554 -20.767 -8.796 1.00 63.13 C ATOM 622 O ALA A 41 15.201 -21.475 -9.568 1.00 0.15 O ATOM 623 CB ALA A 41 15.824 -19.327 -7.193 1.00 52.33 C ATOM 0 H ALA A 41 13.634 -18.177 -7.408 1.00 75.30 H new ATOM 0 HA ALA A 41 15.633 -18.999 -9.299 1.00 33.33 H new ATOM 0 HB1 ALA A 41 16.672 -20.004 -7.291 1.00 52.33 H new ATOM 0 HB2 ALA A 41 16.187 -18.316 -7.007 1.00 52.33 H new ATOM 0 HB3 ALA A 41 15.199 -19.647 -6.359 1.00 52.33 H new ATOM 629 N GLU A 42 13.440 -21.177 -8.198 1.00 24.32 N ATOM 630 CA GLU A 42 12.903 -22.515 -8.419 1.00 5.13 C ATOM 631 C GLU A 42 12.436 -22.682 -9.862 1.00 22.22 C ATOM 632 O GLU A 42 12.758 -23.672 -10.520 1.00 55.20 O ATOM 633 CB GLU A 42 11.742 -22.787 -7.460 1.00 62.13 C ATOM 634 CG GLU A 42 12.146 -22.772 -5.995 1.00 55.25 C ATOM 635 CD GLU A 42 11.182 -23.546 -5.117 1.00 21.01 C ATOM 636 OE1 GLU A 42 9.957 -23.408 -5.316 1.00 71.12 O ATOM 637 OE2 GLU A 42 11.653 -24.289 -4.231 1.00 33.04 O ATOM 0 H GLU A 42 12.892 -20.603 -7.557 1.00 24.32 H new ATOM 0 HA GLU A 42 13.699 -23.235 -8.228 1.00 5.13 H new ATOM 0 HB2 GLU A 42 10.966 -22.039 -7.622 1.00 62.13 H new ATOM 0 HB3 GLU A 42 11.305 -23.757 -7.698 1.00 62.13 H new ATOM 0 HG2 GLU A 42 13.145 -23.196 -5.893 1.00 55.25 H new ATOM 0 HG3 GLU A 42 12.200 -21.740 -5.647 1.00 55.25 H new ATOM 644 N LYS A 43 11.675 -21.708 -10.348 1.00 10.54 N ATOM 645 CA LYS A 43 11.163 -21.744 -11.712 1.00 72.13 C ATOM 646 C LYS A 43 12.296 -21.598 -12.723 1.00 11.32 C ATOM 647 O LYS A 43 12.185 -22.049 -13.862 1.00 62.30 O ATOM 648 CB LYS A 43 10.132 -20.633 -11.922 1.00 35.02 C ATOM 649 CG LYS A 43 8.707 -21.142 -12.052 1.00 35.43 C ATOM 650 CD LYS A 43 7.703 -20.134 -11.517 1.00 61.31 C ATOM 651 CE LYS A 43 6.459 -20.069 -12.390 1.00 62.41 C ATOM 652 NZ LYS A 43 5.844 -18.713 -12.380 1.00 25.13 N ATOM 0 H LYS A 43 11.399 -20.883 -9.816 1.00 10.54 H new ATOM 0 HA LYS A 43 10.683 -22.710 -11.867 1.00 72.13 H new ATOM 0 HB2 LYS A 43 10.185 -19.937 -11.085 1.00 35.02 H new ATOM 0 HB3 LYS A 43 10.392 -20.073 -12.820 1.00 35.02 H new ATOM 0 HG2 LYS A 43 8.489 -21.353 -13.099 1.00 35.43 H new ATOM 0 HG3 LYS A 43 8.605 -22.082 -11.509 1.00 35.43 H new ATOM 0 HD2 LYS A 43 7.421 -20.405 -10.500 1.00 61.31 H new ATOM 0 HD3 LYS A 43 8.166 -19.149 -11.468 1.00 61.31 H new ATOM 0 HE2 LYS A 43 6.719 -20.342 -13.413 1.00 62.41 H new ATOM 0 HE3 LYS A 43 5.731 -20.800 -12.040 1.00 62.41 H new ATOM 0 HZ1 LYS A 43 4.999 -18.710 -12.987 1.00 25.13 H new ATOM 0 HZ2 LYS A 43 5.573 -18.462 -11.408 1.00 25.13 H new ATOM 0 HZ3 LYS A 43 6.530 -18.018 -12.739 1.00 25.13 H new ATOM 666 N GLU A 44 13.385 -20.965 -12.297 1.00 12.02 N ATOM 667 CA GLU A 44 14.538 -20.761 -13.166 1.00 12.42 C ATOM 668 C GLU A 44 15.538 -21.904 -13.021 1.00 11.04 C ATOM 669 O GLU A 44 15.293 -22.869 -12.298 1.00 34.22 O ATOM 670 CB GLU A 44 15.218 -19.429 -12.842 1.00 44.14 C ATOM 671 CG GLU A 44 14.452 -18.216 -13.344 1.00 25.30 C ATOM 672 CD GLU A 44 14.263 -18.227 -14.848 1.00 62.25 C ATOM 673 OE1 GLU A 44 15.242 -18.521 -15.567 1.00 11.43 O ATOM 674 OE2 GLU A 44 13.138 -17.942 -15.307 1.00 75.35 O ATOM 0 H GLU A 44 13.493 -20.585 -11.357 1.00 12.02 H new ATOM 0 HA GLU A 44 14.185 -20.740 -14.197 1.00 12.42 H new ATOM 0 HB2 GLU A 44 15.343 -19.348 -11.762 1.00 44.14 H new ATOM 0 HB3 GLU A 44 16.216 -19.424 -13.280 1.00 44.14 H new ATOM 0 HG2 GLU A 44 13.476 -18.181 -12.859 1.00 25.30 H new ATOM 0 HG3 GLU A 44 14.984 -17.310 -13.055 1.00 25.30 H new ATOM 681 N ALA A 45 16.666 -21.787 -13.714 1.00 32.22 N ATOM 682 CA ALA A 45 17.704 -22.809 -13.662 1.00 32.24 C ATOM 683 C ALA A 45 18.968 -22.345 -14.377 1.00 11.22 C ATOM 684 O ALA A 45 20.079 -22.544 -13.886 1.00 61.52 O ATOM 685 CB ALA A 45 17.197 -24.108 -14.271 1.00 51.13 C ATOM 0 H ALA A 45 16.884 -20.995 -14.318 1.00 32.22 H new ATOM 0 HA ALA A 45 17.954 -22.985 -12.616 1.00 32.24 H new ATOM 0 HB1 ALA A 45 17.983 -24.862 -14.225 1.00 51.13 H new ATOM 0 HB2 ALA A 45 16.327 -24.456 -13.714 1.00 51.13 H new ATOM 0 HB3 ALA A 45 16.917 -23.938 -15.311 1.00 51.13 H new ATOM 691 N SER A 46 18.791 -21.725 -15.539 1.00 51.03 N ATOM 692 CA SER A 46 19.918 -21.236 -16.324 1.00 62.24 C ATOM 693 C SER A 46 20.250 -19.793 -15.958 1.00 5.12 C ATOM 694 O SER A 46 20.206 -18.901 -16.804 1.00 53.14 O ATOM 695 CB SER A 46 19.607 -21.336 -17.819 1.00 44.01 C ATOM 696 OG SER A 46 19.742 -22.669 -18.280 1.00 63.21 O ATOM 0 H SER A 46 17.878 -21.549 -15.958 1.00 51.03 H new ATOM 0 HA SER A 46 20.784 -21.858 -16.097 1.00 62.24 H new ATOM 0 HB2 SER A 46 18.593 -20.984 -18.007 1.00 44.01 H new ATOM 0 HB3 SER A 46 20.279 -20.685 -18.378 1.00 44.01 H new ATOM 0 HG SER A 46 19.536 -22.706 -19.237 1.00 63.21 H new ATOM 702 N GLN A 47 20.583 -19.573 -14.690 1.00 45.20 N ATOM 703 CA GLN A 47 20.923 -18.238 -14.211 1.00 34.25 C ATOM 704 C GLN A 47 22.010 -18.303 -13.143 1.00 33.32 C ATOM 705 O GLN A 47 21.973 -19.156 -12.256 1.00 23.15 O ATOM 706 CB GLN A 47 19.681 -17.544 -13.649 1.00 35.20 C ATOM 707 CG GLN A 47 19.694 -16.035 -13.828 1.00 11.42 C ATOM 708 CD GLN A 47 19.519 -15.617 -15.274 1.00 54.35 C ATOM 709 OE1 GLN A 47 20.465 -15.652 -16.062 1.00 13.11 O ATOM 710 NE2 GLN A 47 18.304 -15.218 -15.633 1.00 33.03 N ATOM 0 H GLN A 47 20.625 -20.301 -13.977 1.00 45.20 H new ATOM 0 HA GLN A 47 21.303 -17.662 -15.055 1.00 34.25 H new ATOM 0 HB2 GLN A 47 18.795 -17.952 -14.136 1.00 35.20 H new ATOM 0 HB3 GLN A 47 19.595 -17.775 -12.587 1.00 35.20 H new ATOM 0 HG2 GLN A 47 18.898 -15.595 -13.228 1.00 11.42 H new ATOM 0 HG3 GLN A 47 20.635 -15.636 -13.450 1.00 11.42 H new ATOM 0 HE21 GLN A 47 17.548 -15.204 -14.948 1.00 33.03 H new ATOM 0 HE22 GLN A 47 18.127 -14.925 -16.594 1.00 33.03 H new ATOM 719 N LYS A 48 22.977 -17.397 -13.234 1.00 51.03 N ATOM 720 CA LYS A 48 24.075 -17.350 -12.276 1.00 40.22 C ATOM 721 C LYS A 48 23.629 -16.702 -10.969 1.00 61.21 C ATOM 722 O LYS A 48 24.118 -17.050 -9.894 1.00 33.20 O ATOM 723 CB LYS A 48 25.258 -16.577 -12.863 1.00 42.31 C ATOM 724 CG LYS A 48 25.662 -17.044 -14.251 1.00 13.31 C ATOM 725 CD LYS A 48 27.156 -16.891 -14.478 1.00 43.42 C ATOM 726 CE LYS A 48 27.515 -15.471 -14.890 1.00 72.15 C ATOM 727 NZ LYS A 48 28.691 -14.955 -14.137 1.00 64.24 N ATOM 0 H LYS A 48 23.023 -16.684 -13.962 1.00 51.03 H new ATOM 0 HA LYS A 48 24.386 -18.374 -12.066 1.00 40.22 H new ATOM 0 HB2 LYS A 48 25.004 -15.518 -12.905 1.00 42.31 H new ATOM 0 HB3 LYS A 48 26.113 -16.674 -12.193 1.00 42.31 H new ATOM 0 HG2 LYS A 48 25.378 -18.088 -14.381 1.00 13.31 H new ATOM 0 HG3 LYS A 48 25.118 -16.470 -15.001 1.00 13.31 H new ATOM 0 HD2 LYS A 48 27.692 -17.153 -13.566 1.00 43.42 H new ATOM 0 HD3 LYS A 48 27.481 -17.588 -15.250 1.00 43.42 H new ATOM 0 HE2 LYS A 48 27.729 -15.446 -15.959 1.00 72.15 H new ATOM 0 HE3 LYS A 48 26.660 -14.817 -14.721 1.00 72.15 H new ATOM 0 HZ1 LYS A 48 28.903 -13.985 -14.447 1.00 64.24 H new ATOM 0 HZ2 LYS A 48 28.478 -14.955 -13.119 1.00 64.24 H new ATOM 0 HZ3 LYS A 48 29.514 -15.564 -14.318 1.00 64.24 H new ATOM 741 N VAL A 49 22.697 -15.759 -11.069 1.00 24.34 N ATOM 742 CA VAL A 49 22.184 -15.065 -9.894 1.00 33.21 C ATOM 743 C VAL A 49 21.191 -15.936 -9.132 1.00 11.53 C ATOM 744 O VAL A 49 21.092 -15.855 -7.907 1.00 54.02 O ATOM 745 CB VAL A 49 21.498 -13.741 -10.280 1.00 2.14 C ATOM 746 CG1 VAL A 49 22.468 -12.833 -11.020 1.00 63.34 C ATOM 747 CG2 VAL A 49 20.258 -14.008 -11.119 1.00 62.12 C ATOM 0 H VAL A 49 22.282 -15.459 -11.951 1.00 24.34 H new ATOM 0 HA VAL A 49 23.040 -14.849 -9.254 1.00 33.21 H new ATOM 0 HB VAL A 49 21.188 -13.233 -9.367 1.00 2.14 H new ATOM 0 HG11 VAL A 49 21.966 -11.903 -11.285 1.00 63.34 H new ATOM 0 HG12 VAL A 49 23.323 -12.615 -10.380 1.00 63.34 H new ATOM 0 HG13 VAL A 49 22.812 -13.330 -11.927 1.00 63.34 H new ATOM 0 HG21 VAL A 49 19.786 -13.061 -11.383 1.00 62.12 H new ATOM 0 HG22 VAL A 49 20.541 -14.538 -12.028 1.00 62.12 H new ATOM 0 HG23 VAL A 49 19.557 -14.616 -10.548 1.00 62.12 H new ATOM 757 N ARG A 50 20.458 -16.768 -9.864 1.00 51.31 N ATOM 758 CA ARG A 50 19.472 -17.653 -9.257 1.00 73.42 C ATOM 759 C ARG A 50 20.032 -18.310 -7.999 1.00 61.31 C ATOM 760 O ARG A 50 19.321 -18.489 -7.011 1.00 62.43 O ATOM 761 CB ARG A 50 19.036 -18.727 -10.256 1.00 25.53 C ATOM 762 CG ARG A 50 18.195 -19.831 -9.635 1.00 43.12 C ATOM 763 CD ARG A 50 18.921 -21.167 -9.663 1.00 72.11 C ATOM 764 NE ARG A 50 19.598 -21.449 -8.400 1.00 51.22 N ATOM 765 CZ ARG A 50 20.127 -22.629 -8.097 1.00 73.11 C ATOM 766 NH1 ARG A 50 20.057 -23.632 -8.962 1.00 4.13 N ATOM 767 NH2 ARG A 50 20.727 -22.808 -6.927 1.00 51.13 N ATOM 0 H ARG A 50 20.528 -16.848 -10.878 1.00 51.31 H new ATOM 0 HA ARG A 50 18.606 -17.053 -8.977 1.00 73.42 H new ATOM 0 HB2 ARG A 50 18.467 -18.256 -11.058 1.00 25.53 H new ATOM 0 HB3 ARG A 50 19.922 -19.169 -10.711 1.00 25.53 H new ATOM 0 HG2 ARG A 50 17.952 -19.569 -8.605 1.00 43.12 H new ATOM 0 HG3 ARG A 50 17.251 -19.917 -10.173 1.00 43.12 H new ATOM 0 HD2 ARG A 50 18.208 -21.963 -9.877 1.00 72.11 H new ATOM 0 HD3 ARG A 50 19.650 -21.166 -10.473 1.00 72.11 H new ATOM 0 HE ARG A 50 19.668 -20.698 -7.713 1.00 51.22 H new ATOM 0 HH11 ARG A 50 19.596 -23.498 -9.862 1.00 4.13 H new ATOM 0 HH12 ARG A 50 20.464 -24.537 -8.727 1.00 4.13 H new ATOM 0 HH21 ARG A 50 20.782 -22.039 -6.259 1.00 51.13 H new ATOM 0 HH22 ARG A 50 21.133 -23.715 -6.695 1.00 51.13 H new ATOM 781 N ASN A 51 21.311 -18.668 -8.044 1.00 45.32 N ATOM 782 CA ASN A 51 21.967 -19.306 -6.909 1.00 2.14 C ATOM 783 C ASN A 51 22.049 -18.352 -5.721 1.00 12.21 C ATOM 784 O ASN A 51 21.710 -18.715 -4.594 1.00 35.31 O ATOM 785 CB ASN A 51 23.371 -19.772 -7.300 1.00 31.43 C ATOM 786 CG ASN A 51 24.149 -20.319 -6.118 1.00 74.12 C ATOM 787 OD1 ASN A 51 25.006 -19.637 -5.556 1.00 34.22 O ATOM 788 ND2 ASN A 51 23.852 -21.556 -5.736 1.00 65.04 N ATOM 0 H ASN A 51 21.914 -18.527 -8.855 1.00 45.32 H new ATOM 0 HA ASN A 51 21.372 -20.171 -6.617 1.00 2.14 H new ATOM 0 HB2 ASN A 51 23.295 -20.541 -8.069 1.00 31.43 H new ATOM 0 HB3 ASN A 51 23.919 -18.938 -7.737 1.00 31.43 H new ATOM 0 HD21 ASN A 51 24.342 -21.978 -4.947 1.00 65.04 H new ATOM 0 HD22 ASN A 51 23.134 -22.084 -6.232 1.00 65.04 H new ATOM 795 N LEU A 52 22.500 -17.130 -5.981 1.00 2.22 N ATOM 796 CA LEU A 52 22.626 -16.122 -4.934 1.00 1.22 C ATOM 797 C LEU A 52 21.254 -15.671 -4.444 1.00 34.31 C ATOM 798 O LEU A 52 21.084 -15.320 -3.275 1.00 70.15 O ATOM 799 CB LEU A 52 23.417 -14.918 -5.450 1.00 35.14 C ATOM 800 CG LEU A 52 23.838 -13.891 -4.398 1.00 24.51 C ATOM 801 CD1 LEU A 52 22.661 -13.010 -4.010 1.00 23.21 C ATOM 802 CD2 LEU A 52 24.412 -14.588 -3.173 1.00 22.13 C ATOM 0 H LEU A 52 22.785 -16.813 -6.908 1.00 2.22 H new ATOM 0 HA LEU A 52 23.162 -16.569 -4.096 1.00 1.22 H new ATOM 0 HB2 LEU A 52 24.313 -15.285 -5.950 1.00 35.14 H new ATOM 0 HB3 LEU A 52 22.816 -14.410 -6.205 1.00 35.14 H new ATOM 0 HG LEU A 52 24.613 -13.256 -4.827 1.00 24.51 H new ATOM 0 HD11 LEU A 52 22.980 -12.286 -3.261 1.00 23.21 H new ATOM 0 HD12 LEU A 52 22.295 -12.483 -4.891 1.00 23.21 H new ATOM 0 HD13 LEU A 52 21.863 -13.629 -3.600 1.00 23.21 H new ATOM 0 HD21 LEU A 52 24.706 -13.842 -2.435 1.00 22.13 H new ATOM 0 HD22 LEU A 52 23.658 -15.247 -2.743 1.00 22.13 H new ATOM 0 HD23 LEU A 52 25.283 -15.175 -3.463 1.00 22.13 H new ATOM 814 N LEU A 53 20.276 -15.686 -5.343 1.00 42.44 N ATOM 815 CA LEU A 53 18.917 -15.281 -5.003 1.00 12.34 C ATOM 816 C LEU A 53 18.378 -16.106 -3.838 1.00 45.03 C ATOM 817 O LEU A 53 17.708 -15.581 -2.948 1.00 44.52 O ATOM 818 CB LEU A 53 17.999 -15.432 -6.217 1.00 50.20 C ATOM 819 CG LEU A 53 17.920 -14.225 -7.153 1.00 20.21 C ATOM 820 CD1 LEU A 53 19.190 -13.394 -7.061 1.00 23.13 C ATOM 821 CD2 LEU A 53 17.679 -14.677 -8.586 1.00 13.30 C ATOM 0 H LEU A 53 20.399 -15.975 -6.314 1.00 42.44 H new ATOM 0 HA LEU A 53 18.942 -14.234 -4.702 1.00 12.34 H new ATOM 0 HB2 LEU A 53 18.333 -16.294 -6.795 1.00 50.20 H new ATOM 0 HB3 LEU A 53 16.994 -15.657 -5.861 1.00 50.20 H new ATOM 0 HG LEU A 53 17.080 -13.603 -6.843 1.00 20.21 H new ATOM 0 HD11 LEU A 53 19.115 -12.540 -7.734 1.00 23.13 H new ATOM 0 HD12 LEU A 53 19.320 -13.040 -6.038 1.00 23.13 H new ATOM 0 HD13 LEU A 53 20.046 -14.006 -7.345 1.00 23.13 H new ATOM 0 HD21 LEU A 53 17.626 -13.805 -9.238 1.00 13.30 H new ATOM 0 HD22 LEU A 53 18.498 -15.321 -8.907 1.00 13.30 H new ATOM 0 HD23 LEU A 53 16.741 -15.229 -8.640 1.00 13.30 H new ATOM 833 N LEU A 54 18.677 -17.400 -3.849 1.00 63.34 N ATOM 834 CA LEU A 54 18.225 -18.299 -2.793 1.00 5.02 C ATOM 835 C LEU A 54 19.058 -18.115 -1.528 1.00 43.13 C ATOM 836 O LEU A 54 18.517 -17.942 -0.436 1.00 24.45 O ATOM 837 CB LEU A 54 18.306 -19.752 -3.263 1.00 60.33 C ATOM 838 CG LEU A 54 17.500 -20.098 -4.516 1.00 43.10 C ATOM 839 CD1 LEU A 54 18.379 -20.801 -5.539 1.00 2.21 C ATOM 840 CD2 LEU A 54 16.301 -20.963 -4.157 1.00 13.41 C ATOM 0 H LEU A 54 19.231 -17.850 -4.578 1.00 63.34 H new ATOM 0 HA LEU A 54 17.188 -18.056 -2.562 1.00 5.02 H new ATOM 0 HB2 LEU A 54 19.352 -19.995 -3.450 1.00 60.33 H new ATOM 0 HB3 LEU A 54 17.970 -20.395 -2.450 1.00 60.33 H new ATOM 0 HG LEU A 54 17.135 -19.171 -4.957 1.00 43.10 H new ATOM 0 HD11 LEU A 54 17.788 -21.039 -6.424 1.00 2.21 H new ATOM 0 HD12 LEU A 54 19.205 -20.147 -5.819 1.00 2.21 H new ATOM 0 HD13 LEU A 54 18.774 -21.721 -5.108 1.00 2.21 H new ATOM 0 HD21 LEU A 54 15.739 -21.199 -5.061 1.00 13.41 H new ATOM 0 HD22 LEU A 54 16.645 -21.887 -3.692 1.00 13.41 H new ATOM 0 HD23 LEU A 54 15.659 -20.424 -3.461 1.00 13.41 H new ATOM 852 N HIS A 55 20.378 -18.151 -1.685 1.00 11.35 N ATOM 853 CA HIS A 55 21.286 -17.985 -0.555 1.00 42.13 C ATOM 854 C HIS A 55 20.940 -16.730 0.241 1.00 61.24 C ATOM 855 O HIS A 55 20.916 -16.750 1.471 1.00 14.34 O ATOM 856 CB HIS A 55 22.733 -17.910 -1.044 1.00 40.02 C ATOM 857 CG HIS A 55 23.744 -18.105 0.044 1.00 73.53 C ATOM 858 ND1 HIS A 55 23.873 -17.246 1.114 1.00 43.41 N ATOM 859 CD2 HIS A 55 24.675 -19.071 0.224 1.00 41.02 C ATOM 860 CE1 HIS A 55 24.842 -17.673 1.904 1.00 11.22 C ATOM 861 NE2 HIS A 55 25.344 -18.779 1.387 1.00 64.22 N ATOM 0 H HIS A 55 20.842 -18.293 -2.582 1.00 11.35 H new ATOM 0 HA HIS A 55 21.175 -18.850 0.099 1.00 42.13 H new ATOM 0 HB2 HIS A 55 22.888 -18.667 -1.812 1.00 40.02 H new ATOM 0 HB3 HIS A 55 22.899 -16.941 -1.514 1.00 40.02 H new ATOM 0 HD2 HIS A 55 24.858 -19.914 -0.426 1.00 41.02 H new ATOM 0 HE1 HIS A 55 25.168 -17.198 2.817 1.00 11.22 H new ATOM 0 HE2 HIS A 55 26.105 -19.328 1.787 1.00 64.22 H new ATOM 869 N LYS A 56 20.674 -15.639 -0.470 1.00 33.42 N ATOM 870 CA LYS A 56 20.328 -14.375 0.169 1.00 65.01 C ATOM 871 C LYS A 56 18.908 -14.415 0.722 1.00 34.24 C ATOM 872 O LYS A 56 18.593 -13.741 1.702 1.00 43.41 O ATOM 873 CB LYS A 56 20.466 -13.222 -0.828 1.00 25.02 C ATOM 874 CG LYS A 56 21.748 -12.424 -0.661 1.00 12.33 C ATOM 875 CD LYS A 56 21.630 -11.043 -1.285 1.00 22.31 C ATOM 876 CE LYS A 56 22.010 -9.951 -0.297 1.00 54.31 C ATOM 877 NZ LYS A 56 22.289 -8.658 -0.981 1.00 0.44 N ATOM 0 H LYS A 56 20.692 -15.605 -1.489 1.00 33.42 H new ATOM 0 HA LYS A 56 21.017 -14.215 0.998 1.00 65.01 H new ATOM 0 HB2 LYS A 56 20.426 -13.622 -1.841 1.00 25.02 H new ATOM 0 HB3 LYS A 56 19.614 -12.552 -0.716 1.00 25.02 H new ATOM 0 HG2 LYS A 56 21.982 -12.327 0.399 1.00 12.33 H new ATOM 0 HG3 LYS A 56 22.576 -12.963 -1.122 1.00 12.33 H new ATOM 0 HD2 LYS A 56 22.275 -10.982 -2.162 1.00 22.31 H new ATOM 0 HD3 LYS A 56 20.608 -10.884 -1.629 1.00 22.31 H new ATOM 0 HE2 LYS A 56 21.202 -9.815 0.422 1.00 54.31 H new ATOM 0 HE3 LYS A 56 22.890 -10.261 0.267 1.00 54.31 H new ATOM 0 HZ1 LYS A 56 22.544 -7.939 -0.274 1.00 0.44 H new ATOM 0 HZ2 LYS A 56 23.076 -8.782 -1.649 1.00 0.44 H new ATOM 0 HZ3 LYS A 56 21.441 -8.349 -1.498 1.00 0.44 H new ATOM 891 N GLY A 57 18.053 -15.212 0.089 1.00 75.24 N ATOM 892 CA GLY A 57 16.676 -15.326 0.533 1.00 32.31 C ATOM 893 C GLY A 57 16.548 -16.097 1.832 1.00 71.20 C ATOM 894 O GLY A 57 15.915 -15.631 2.780 1.00 64.21 O ATOM 0 H GLY A 57 18.289 -15.781 -0.724 1.00 75.24 H new ATOM 0 HA2 GLY A 57 16.256 -14.329 0.663 1.00 32.31 H new ATOM 0 HA3 GLY A 57 16.088 -15.822 -0.240 1.00 32.31 H new ATOM 898 N LYS A 58 17.148 -17.282 1.877 1.00 45.43 N ATOM 899 CA LYS A 58 17.099 -18.120 3.068 1.00 23.44 C ATOM 900 C LYS A 58 17.743 -17.414 4.258 1.00 74.34 C ATOM 901 O LYS A 58 17.456 -17.735 5.410 1.00 32.43 O ATOM 902 CB LYS A 58 17.807 -19.452 2.809 1.00 74.50 C ATOM 903 CG LYS A 58 19.236 -19.297 2.318 1.00 14.04 C ATOM 904 CD LYS A 58 20.204 -19.107 3.474 1.00 62.23 C ATOM 905 CE LYS A 58 21.193 -20.259 3.567 1.00 43.03 C ATOM 906 NZ LYS A 58 22.210 -20.032 4.630 1.00 24.15 N ATOM 0 H LYS A 58 17.674 -17.683 1.101 1.00 45.43 H new ATOM 0 HA LYS A 58 16.052 -18.311 3.304 1.00 23.44 H new ATOM 0 HB2 LYS A 58 17.809 -20.037 3.729 1.00 74.50 H new ATOM 0 HB3 LYS A 58 17.238 -20.019 2.072 1.00 74.50 H new ATOM 0 HG2 LYS A 58 19.522 -20.178 1.743 1.00 14.04 H new ATOM 0 HG3 LYS A 58 19.300 -18.443 1.644 1.00 14.04 H new ATOM 0 HD2 LYS A 58 20.746 -18.170 3.346 1.00 62.23 H new ATOM 0 HD3 LYS A 58 19.647 -19.028 4.407 1.00 62.23 H new ATOM 0 HE2 LYS A 58 20.654 -21.184 3.771 1.00 43.03 H new ATOM 0 HE3 LYS A 58 21.693 -20.387 2.607 1.00 43.03 H new ATOM 0 HZ1 LYS A 58 22.865 -20.839 4.662 1.00 24.15 H new ATOM 0 HZ2 LYS A 58 22.741 -19.163 4.422 1.00 24.15 H new ATOM 0 HZ3 LYS A 58 21.735 -19.936 5.550 1.00 24.15 H new ATOM 920 N GLU A 59 18.612 -16.451 3.969 1.00 51.22 N ATOM 921 CA GLU A 59 19.294 -15.700 5.016 1.00 44.42 C ATOM 922 C GLU A 59 18.361 -14.667 5.641 1.00 40.21 C ATOM 923 O GLU A 59 18.083 -14.709 6.839 1.00 22.55 O ATOM 924 CB GLU A 59 20.535 -15.006 4.450 1.00 2.41 C ATOM 925 CG GLU A 59 21.842 -15.658 4.869 1.00 32.22 C ATOM 926 CD GLU A 59 22.122 -15.504 6.352 1.00 52.15 C ATOM 927 OE1 GLU A 59 22.086 -14.358 6.847 1.00 71.24 O ATOM 928 OE2 GLU A 59 22.377 -16.530 7.016 1.00 34.04 O ATOM 0 H GLU A 59 18.860 -16.173 3.020 1.00 51.22 H new ATOM 0 HA GLU A 59 19.600 -16.403 5.791 1.00 44.42 H new ATOM 0 HB2 GLU A 59 20.474 -15.001 3.362 1.00 2.41 H new ATOM 0 HB3 GLU A 59 20.538 -13.965 4.773 1.00 2.41 H new ATOM 0 HG2 GLU A 59 21.812 -16.718 4.617 1.00 32.22 H new ATOM 0 HG3 GLU A 59 22.662 -15.218 4.301 1.00 32.22 H new ATOM 935 N VAL A 60 17.880 -13.739 4.820 1.00 43.52 N ATOM 936 CA VAL A 60 16.978 -12.695 5.291 1.00 51.43 C ATOM 937 C VAL A 60 15.810 -13.288 6.070 1.00 72.20 C ATOM 938 O VAL A 60 15.278 -12.661 6.986 1.00 14.55 O ATOM 939 CB VAL A 60 16.428 -11.858 4.120 1.00 33.31 C ATOM 940 CG1 VAL A 60 15.765 -12.757 3.087 1.00 41.21 C ATOM 941 CG2 VAL A 60 15.452 -10.807 4.629 1.00 64.53 C ATOM 0 H VAL A 60 18.100 -13.689 3.825 1.00 43.52 H new ATOM 0 HA VAL A 60 17.559 -12.048 5.949 1.00 51.43 H new ATOM 0 HB VAL A 60 17.261 -11.345 3.639 1.00 33.31 H new ATOM 0 HG11 VAL A 60 15.382 -12.149 2.267 1.00 41.21 H new ATOM 0 HG12 VAL A 60 16.495 -13.468 2.701 1.00 41.21 H new ATOM 0 HG13 VAL A 60 14.941 -13.299 3.552 1.00 41.21 H new ATOM 0 HG21 VAL A 60 15.073 -10.225 3.789 1.00 64.53 H new ATOM 0 HG22 VAL A 60 14.620 -11.297 5.135 1.00 64.53 H new ATOM 0 HG23 VAL A 60 15.962 -10.145 5.328 1.00 64.53 H new ATOM 951 N LEU A 61 15.415 -14.502 5.701 1.00 44.23 N ATOM 952 CA LEU A 61 14.310 -15.182 6.366 1.00 75.24 C ATOM 953 C LEU A 61 14.666 -15.517 7.811 1.00 53.44 C ATOM 954 O LEU A 61 13.849 -15.350 8.715 1.00 14.13 O ATOM 955 CB LEU A 61 13.943 -16.461 5.610 1.00 40.42 C ATOM 956 CG LEU A 61 12.704 -16.381 4.717 1.00 10.13 C ATOM 957 CD1 LEU A 61 11.439 -16.355 5.561 1.00 20.42 C ATOM 958 CD2 LEU A 61 12.772 -15.155 3.818 1.00 23.12 C ATOM 0 H LEU A 61 15.844 -15.035 4.945 1.00 44.23 H new ATOM 0 HA LEU A 61 13.452 -14.510 6.369 1.00 75.24 H new ATOM 0 HB2 LEU A 61 14.793 -16.751 4.992 1.00 40.42 H new ATOM 0 HB3 LEU A 61 13.791 -17.258 6.338 1.00 40.42 H new ATOM 0 HG LEU A 61 12.677 -17.269 4.085 1.00 10.13 H new ATOM 0 HD11 LEU A 61 10.568 -16.298 4.909 1.00 20.42 H new ATOM 0 HD12 LEU A 61 11.384 -17.263 6.162 1.00 20.42 H new ATOM 0 HD13 LEU A 61 11.458 -15.486 6.218 1.00 20.42 H new ATOM 0 HD21 LEU A 61 11.882 -15.115 3.190 1.00 23.12 H new ATOM 0 HD22 LEU A 61 12.824 -14.256 4.432 1.00 23.12 H new ATOM 0 HD23 LEU A 61 13.659 -15.215 3.187 1.00 23.12 H new ATOM 970 N GLU A 62 15.892 -15.987 8.019 1.00 75.11 N ATOM 971 CA GLU A 62 16.356 -16.343 9.355 1.00 74.24 C ATOM 972 C GLU A 62 16.817 -15.105 10.118 1.00 25.20 C ATOM 973 O GLU A 62 16.774 -15.069 11.348 1.00 73.43 O ATOM 974 CB GLU A 62 17.497 -17.358 9.268 1.00 24.13 C ATOM 975 CG GLU A 62 17.026 -18.789 9.071 1.00 21.25 C ATOM 976 CD GLU A 62 16.495 -19.409 10.349 1.00 35.21 C ATOM 977 OE1 GLU A 62 16.474 -18.709 11.383 1.00 33.54 O ATOM 978 OE2 GLU A 62 16.100 -20.593 10.315 1.00 32.41 O ATOM 0 H GLU A 62 16.581 -16.130 7.281 1.00 75.11 H new ATOM 0 HA GLU A 62 15.522 -16.791 9.895 1.00 74.24 H new ATOM 0 HB2 GLU A 62 18.154 -17.084 8.442 1.00 24.13 H new ATOM 0 HB3 GLU A 62 18.091 -17.303 10.180 1.00 24.13 H new ATOM 0 HG2 GLU A 62 16.246 -18.809 8.310 1.00 21.25 H new ATOM 0 HG3 GLU A 62 17.853 -19.391 8.696 1.00 21.25 H new ATOM 985 N TRP A 63 17.260 -14.094 9.380 1.00 10.31 N ATOM 986 CA TRP A 63 17.731 -12.854 9.987 1.00 11.21 C ATOM 987 C TRP A 63 16.567 -12.051 10.559 1.00 63.42 C ATOM 988 O TRP A 63 16.598 -11.635 11.716 1.00 3.23 O ATOM 989 CB TRP A 63 18.489 -12.014 8.958 1.00 52.22 C ATOM 990 CG TRP A 63 19.977 -12.172 9.042 1.00 52.03 C ATOM 991 CD1 TRP A 63 20.661 -13.276 9.464 1.00 42.12 C ATOM 992 CD2 TRP A 63 20.963 -11.193 8.697 1.00 64.54 C ATOM 993 NE1 TRP A 63 22.014 -13.043 9.402 1.00 51.41 N ATOM 994 CE2 TRP A 63 22.225 -11.773 8.934 1.00 44.24 C ATOM 995 CE3 TRP A 63 20.904 -9.885 8.209 1.00 71.44 C ATOM 996 CZ2 TRP A 63 23.414 -11.087 8.700 1.00 65.31 C ATOM 997 CZ3 TRP A 63 22.085 -9.206 7.977 1.00 30.34 C ATOM 998 CH2 TRP A 63 23.327 -9.808 8.222 1.00 14.02 C ATOM 0 H TRP A 63 17.303 -14.108 8.361 1.00 10.31 H new ATOM 0 HA TRP A 63 18.406 -13.112 10.803 1.00 11.21 H new ATOM 0 HB2 TRP A 63 18.157 -12.292 7.958 1.00 52.22 H new ATOM 0 HB3 TRP A 63 18.234 -10.964 9.098 1.00 52.22 H new ATOM 0 HD1 TRP A 63 20.206 -14.197 9.797 1.00 42.12 H new ATOM 0 HE1 TRP A 63 22.743 -13.708 9.662 1.00 51.41 H new ATOM 0 HE3 TRP A 63 19.952 -9.413 8.016 1.00 71.44 H new ATOM 0 HZ2 TRP A 63 24.372 -11.549 8.889 1.00 65.31 H new ATOM 0 HZ3 TRP A 63 22.051 -8.194 7.601 1.00 30.34 H new ATOM 0 HH2 TRP A 63 24.232 -9.252 8.030 1.00 14.02 H new ATOM 1009 N ALA A 64 15.542 -11.838 9.740 1.00 21.54 N ATOM 1010 CA ALA A 64 14.368 -11.088 10.166 1.00 14.24 C ATOM 1011 C ALA A 64 13.760 -11.690 11.429 1.00 54.42 C ATOM 1012 O ALA A 64 13.175 -10.979 12.246 1.00 24.12 O ATOM 1013 CB ALA A 64 13.335 -11.045 9.050 1.00 40.32 C ATOM 0 H ALA A 64 15.502 -12.175 8.778 1.00 21.54 H new ATOM 0 HA ALA A 64 14.682 -10.070 10.395 1.00 14.24 H new ATOM 0 HB1 ALA A 64 12.463 -10.481 9.383 1.00 40.32 H new ATOM 0 HB2 ALA A 64 13.766 -10.562 8.173 1.00 40.32 H new ATOM 0 HB3 ALA A 64 13.034 -12.061 8.793 1.00 40.32 H new ATOM 1019 N GLU A 65 13.901 -13.003 11.580 1.00 13.32 N ATOM 1020 CA GLU A 65 13.363 -13.699 12.743 1.00 22.12 C ATOM 1021 C GLU A 65 14.236 -13.461 13.972 1.00 45.33 C ATOM 1022 O GLU A 65 13.774 -13.574 15.107 1.00 10.44 O ATOM 1023 CB GLU A 65 13.257 -15.200 12.463 1.00 51.52 C ATOM 1024 CG GLU A 65 12.150 -15.559 11.486 1.00 33.34 C ATOM 1025 CD GLU A 65 11.917 -17.055 11.394 1.00 14.21 C ATOM 1026 OE1 GLU A 65 12.761 -17.820 11.903 1.00 25.24 O ATOM 1027 OE2 GLU A 65 10.888 -17.459 10.812 1.00 22.42 O ATOM 0 H GLU A 65 14.383 -13.606 10.913 1.00 13.32 H new ATOM 0 HA GLU A 65 12.368 -13.302 12.943 1.00 22.12 H new ATOM 0 HB2 GLU A 65 14.209 -15.556 12.068 1.00 51.52 H new ATOM 0 HB3 GLU A 65 13.086 -15.725 13.403 1.00 51.52 H new ATOM 0 HG2 GLU A 65 11.226 -15.069 11.793 1.00 33.34 H new ATOM 0 HG3 GLU A 65 12.402 -15.173 10.498 1.00 33.34 H new ATOM 1034 N HIS A 66 15.502 -13.131 13.736 1.00 44.23 N ATOM 1035 CA HIS A 66 16.441 -12.876 14.822 1.00 24.24 C ATOM 1036 C HIS A 66 16.055 -11.616 15.590 1.00 2.40 C ATOM 1037 O HIS A 66 15.960 -11.629 16.818 1.00 11.41 O ATOM 1038 CB HIS A 66 17.862 -12.739 14.275 1.00 44.20 C ATOM 1039 CG HIS A 66 18.822 -13.739 14.843 1.00 42.33 C ATOM 1040 ND1 HIS A 66 18.998 -13.928 16.197 1.00 32.52 N ATOM 1041 CD2 HIS A 66 19.660 -14.608 14.231 1.00 42.12 C ATOM 1042 CE1 HIS A 66 19.903 -14.870 16.394 1.00 44.12 C ATOM 1043 NE2 HIS A 66 20.321 -15.299 15.216 1.00 32.15 N ATOM 0 H HIS A 66 15.901 -13.034 12.802 1.00 44.23 H new ATOM 0 HA HIS A 66 16.404 -13.723 15.507 1.00 24.24 H new ATOM 0 HB2 HIS A 66 17.837 -12.847 13.191 1.00 44.20 H new ATOM 0 HB3 HIS A 66 18.229 -11.735 14.487 1.00 44.20 H new ATOM 0 HD2 HIS A 66 19.785 -14.734 13.166 1.00 42.12 H new ATOM 0 HE1 HIS A 66 20.243 -15.228 17.354 1.00 44.12 H new ATOM 0 HE2 HIS A 66 21.021 -16.025 15.063 1.00 32.15 H new ATOM 1051 N LEU A 67 15.835 -10.528 14.859 1.00 32.25 N ATOM 1052 CA LEU A 67 15.460 -9.258 15.472 1.00 75.34 C ATOM 1053 C LEU A 67 14.042 -9.322 16.032 1.00 4.22 C ATOM 1054 O LEU A 67 13.735 -8.690 17.043 1.00 63.42 O ATOM 1055 CB LEU A 67 15.565 -8.126 14.449 1.00 43.31 C ATOM 1056 CG LEU A 67 14.418 -8.019 13.444 1.00 71.52 C ATOM 1057 CD1 LEU A 67 13.354 -7.058 13.949 1.00 55.45 C ATOM 1058 CD2 LEU A 67 14.939 -7.576 12.085 1.00 52.14 C ATOM 0 H LEU A 67 15.910 -10.500 13.842 1.00 32.25 H new ATOM 0 HA LEU A 67 16.148 -9.062 16.295 1.00 75.34 H new ATOM 0 HB2 LEU A 67 15.638 -7.182 14.989 1.00 43.31 H new ATOM 0 HB3 LEU A 67 16.496 -8.249 13.895 1.00 43.31 H new ATOM 0 HG LEU A 67 13.965 -9.004 13.333 1.00 71.52 H new ATOM 0 HD11 LEU A 67 12.546 -6.995 13.221 1.00 55.45 H new ATOM 0 HD12 LEU A 67 12.959 -7.419 14.899 1.00 55.45 H new ATOM 0 HD13 LEU A 67 13.793 -6.070 14.090 1.00 55.45 H new ATOM 0 HD21 LEU A 67 14.109 -7.505 11.382 1.00 52.14 H new ATOM 0 HD22 LEU A 67 15.419 -6.602 12.179 1.00 52.14 H new ATOM 0 HD23 LEU A 67 15.664 -8.303 11.718 1.00 52.14 H new ATOM 1070 N ALA A 68 13.183 -10.090 15.370 1.00 5.01 N ATOM 1071 CA ALA A 68 11.800 -10.240 15.805 1.00 42.43 C ATOM 1072 C ALA A 68 11.724 -10.914 17.170 1.00 33.02 C ATOM 1073 O ALA A 68 10.851 -10.600 17.979 1.00 71.32 O ATOM 1074 CB ALA A 68 11.007 -11.033 14.777 1.00 50.22 C ATOM 0 H ALA A 68 13.421 -10.618 14.530 1.00 5.01 H new ATOM 0 HA ALA A 68 11.363 -9.245 15.896 1.00 42.43 H new ATOM 0 HB1 ALA A 68 9.976 -11.138 15.115 1.00 50.22 H new ATOM 0 HB2 ALA A 68 11.025 -10.509 13.821 1.00 50.22 H new ATOM 0 HB3 ALA A 68 11.452 -12.021 14.658 1.00 50.22 H new ATOM 1080 N GLU A 69 12.643 -11.842 17.419 1.00 15.12 N ATOM 1081 CA GLU A 69 12.677 -12.561 18.687 1.00 33.31 C ATOM 1082 C GLU A 69 13.364 -11.730 19.766 1.00 2.41 C ATOM 1083 O GLU A 69 13.162 -11.953 20.960 1.00 60.13 O ATOM 1084 CB GLU A 69 13.400 -13.899 18.521 1.00 62.24 C ATOM 1085 CG GLU A 69 12.571 -14.955 17.808 1.00 4.20 C ATOM 1086 CD GLU A 69 12.061 -16.029 18.749 1.00 63.12 C ATOM 1087 OE1 GLU A 69 12.837 -16.955 19.067 1.00 73.12 O ATOM 1088 OE2 GLU A 69 10.888 -15.944 19.167 1.00 73.34 O ATOM 0 H GLU A 69 13.373 -12.113 16.760 1.00 15.12 H new ATOM 0 HA GLU A 69 11.649 -12.748 18.997 1.00 33.31 H new ATOM 0 HB2 GLU A 69 14.323 -13.737 17.964 1.00 62.24 H new ATOM 0 HB3 GLU A 69 13.683 -14.274 19.505 1.00 62.24 H new ATOM 0 HG2 GLU A 69 11.724 -14.476 17.316 1.00 4.20 H new ATOM 0 HG3 GLU A 69 13.173 -15.418 17.026 1.00 4.20 H new ATOM 1095 N TRP A 70 14.177 -10.771 19.337 1.00 22.12 N ATOM 1096 CA TRP A 70 14.896 -9.906 20.266 1.00 34.12 C ATOM 1097 C TRP A 70 13.976 -9.423 21.382 1.00 20.34 C ATOM 1098 O TRP A 70 14.397 -9.291 22.532 1.00 42.31 O ATOM 1099 CB TRP A 70 15.490 -8.708 19.524 1.00 53.01 C ATOM 1100 CG TRP A 70 16.257 -7.778 20.415 1.00 74.03 C ATOM 1101 CD1 TRP A 70 15.788 -6.643 21.012 1.00 32.14 C ATOM 1102 CD2 TRP A 70 17.628 -7.903 20.806 1.00 1.02 C ATOM 1103 NE1 TRP A 70 16.785 -6.055 21.752 1.00 4.10 N ATOM 1104 CE2 TRP A 70 17.924 -6.809 21.643 1.00 52.23 C ATOM 1105 CE3 TRP A 70 18.634 -8.833 20.534 1.00 64.44 C ATOM 1106 CZ2 TRP A 70 19.183 -6.622 22.206 1.00 44.33 C ATOM 1107 CZ3 TRP A 70 19.884 -8.646 21.093 1.00 60.12 C ATOM 1108 CH2 TRP A 70 20.150 -7.548 21.922 1.00 73.03 C ATOM 0 H TRP A 70 14.355 -10.573 18.352 1.00 22.12 H new ATOM 0 HA TRP A 70 15.705 -10.485 20.712 1.00 34.12 H new ATOM 0 HB2 TRP A 70 16.149 -9.069 18.734 1.00 53.01 H new ATOM 0 HB3 TRP A 70 14.686 -8.155 19.040 1.00 53.01 H new ATOM 0 HD1 TRP A 70 14.781 -6.263 20.916 1.00 32.14 H new ATOM 0 HE1 TRP A 70 16.692 -5.196 22.295 1.00 4.10 H new ATOM 0 HE3 TRP A 70 18.438 -9.684 19.898 1.00 64.44 H new ATOM 0 HZ2 TRP A 70 19.390 -5.776 22.845 1.00 44.33 H new ATOM 0 HZ3 TRP A 70 20.669 -9.358 20.887 1.00 60.12 H new ATOM 0 HH2 TRP A 70 21.137 -7.430 22.345 1.00 73.03 H new ATOM 1119 N ILE A 71 12.720 -9.162 21.037 1.00 71.21 N ATOM 1120 CA ILE A 71 11.741 -8.695 22.011 1.00 25.33 C ATOM 1121 C ILE A 71 11.729 -9.587 23.248 1.00 33.21 C ATOM 1122 O ILE A 71 11.699 -9.099 24.379 1.00 72.23 O ATOM 1123 CB ILE A 71 10.325 -8.651 21.409 1.00 35.14 C ATOM 1124 CG1 ILE A 71 9.960 -10.010 20.808 1.00 35.03 C ATOM 1125 CG2 ILE A 71 10.230 -7.557 20.356 1.00 23.41 C ATOM 1126 CD1 ILE A 71 8.700 -9.982 19.971 1.00 0.31 C ATOM 0 H ILE A 71 12.356 -9.266 20.090 1.00 71.21 H new ATOM 0 HA ILE A 71 12.036 -7.685 22.297 1.00 25.33 H new ATOM 0 HB ILE A 71 9.615 -8.424 22.205 1.00 35.14 H new ATOM 0 HG12 ILE A 71 10.788 -10.360 20.192 1.00 35.03 H new ATOM 0 HG13 ILE A 71 9.835 -10.733 21.614 1.00 35.03 H new ATOM 0 HG21 ILE A 71 9.223 -7.539 19.940 1.00 23.41 H new ATOM 0 HG22 ILE A 71 10.451 -6.592 20.813 1.00 23.41 H new ATOM 0 HG23 ILE A 71 10.948 -7.755 19.560 1.00 23.41 H new ATOM 0 HD11 ILE A 71 8.503 -10.979 19.577 1.00 0.31 H new ATOM 0 HD12 ILE A 71 7.860 -9.663 20.588 1.00 0.31 H new ATOM 0 HD13 ILE A 71 8.828 -9.284 19.144 1.00 0.31 H new ATOM 1138 N LEU A 72 11.753 -10.897 23.027 1.00 44.34 N ATOM 1139 CA LEU A 72 11.747 -11.859 24.123 1.00 13.54 C ATOM 1140 C LEU A 72 13.097 -11.885 24.833 1.00 52.13 C ATOM 1141 O LEU A 72 13.162 -11.942 26.060 1.00 2.11 O ATOM 1142 CB LEU A 72 11.405 -13.255 23.601 1.00 33.11 C ATOM 1143 CG LEU A 72 10.144 -13.361 22.743 1.00 15.51 C ATOM 1144 CD1 LEU A 72 10.485 -13.878 21.354 1.00 35.03 C ATOM 1145 CD2 LEU A 72 9.117 -14.262 23.413 1.00 54.02 C ATOM 0 H LEU A 72 11.777 -11.317 22.098 1.00 44.34 H new ATOM 0 HA LEU A 72 10.987 -11.550 24.840 1.00 13.54 H new ATOM 0 HB2 LEU A 72 12.250 -13.619 23.016 1.00 33.11 H new ATOM 0 HB3 LEU A 72 11.296 -13.924 24.455 1.00 33.11 H new ATOM 0 HG LEU A 72 9.712 -12.365 22.641 1.00 15.51 H new ATOM 0 HD11 LEU A 72 9.575 -13.947 20.758 1.00 35.03 H new ATOM 0 HD12 LEU A 72 11.183 -13.194 20.872 1.00 35.03 H new ATOM 0 HD13 LEU A 72 10.941 -14.865 21.435 1.00 35.03 H new ATOM 0 HD21 LEU A 72 8.226 -14.326 22.788 1.00 54.02 H new ATOM 0 HD22 LEU A 72 9.539 -15.258 23.546 1.00 54.02 H new ATOM 0 HD23 LEU A 72 8.849 -13.848 24.385 1.00 54.02 H new ATOM 1157 N GLU A 73 14.171 -11.841 24.051 1.00 22.01 N ATOM 1158 CA GLU A 73 15.520 -11.859 24.606 1.00 53.53 C ATOM 1159 C GLU A 73 15.686 -10.773 25.665 1.00 24.12 C ATOM 1160 O GLU A 73 16.463 -10.925 26.609 1.00 33.00 O ATOM 1161 CB GLU A 73 16.554 -11.666 23.495 1.00 4.31 C ATOM 1162 CG GLU A 73 17.530 -12.823 23.364 1.00 31.33 C ATOM 1163 CD GLU A 73 17.602 -13.369 21.951 1.00 11.42 C ATOM 1164 OE1 GLU A 73 16.557 -13.387 21.268 1.00 61.42 O ATOM 1165 OE2 GLU A 73 18.704 -13.776 21.529 1.00 63.51 O ATOM 0 H GLU A 73 14.134 -11.793 23.033 1.00 22.01 H new ATOM 0 HA GLU A 73 15.680 -12.829 25.077 1.00 53.53 H new ATOM 0 HB2 GLU A 73 16.035 -11.531 22.546 1.00 4.31 H new ATOM 0 HB3 GLU A 73 17.113 -10.750 23.686 1.00 4.31 H new ATOM 0 HG2 GLU A 73 18.522 -12.493 23.673 1.00 31.33 H new ATOM 0 HG3 GLU A 73 17.234 -13.622 24.044 1.00 31.33 H new ATOM 1172 N HIS A 74 14.952 -9.677 25.502 1.00 43.03 N ATOM 1173 CA HIS A 74 15.018 -8.565 26.444 1.00 62.25 C ATOM 1174 C HIS A 74 16.435 -8.005 26.524 1.00 11.24 C ATOM 1175 O HIS A 74 16.685 -6.865 26.131 1.00 11.25 O ATOM 1176 CB HIS A 74 14.555 -9.015 27.830 1.00 64.35 C ATOM 1177 CG HIS A 74 13.936 -7.918 28.640 1.00 61.43 C ATOM 1178 ND1 HIS A 74 12.599 -7.895 28.977 1.00 43.40 N ATOM 1179 CD2 HIS A 74 14.479 -6.803 29.182 1.00 23.51 C ATOM 1180 CE1 HIS A 74 12.347 -6.812 29.690 1.00 14.31 C ATOM 1181 NE2 HIS A 74 13.471 -6.133 29.829 1.00 10.33 N ATOM 0 H HIS A 74 14.305 -9.535 24.727 1.00 43.03 H new ATOM 0 HA HIS A 74 14.355 -7.777 26.086 1.00 62.25 H new ATOM 0 HB2 HIS A 74 13.833 -9.824 27.718 1.00 64.35 H new ATOM 0 HB3 HIS A 74 15.407 -9.421 28.375 1.00 64.35 H new ATOM 0 HD2 HIS A 74 15.513 -6.497 29.117 1.00 23.51 H new ATOM 0 HE1 HIS A 74 11.385 -6.530 30.091 1.00 14.31 H new ATOM 0 HE2 HIS A 74 13.573 -5.253 30.335 1.00 10.33 H new TER 1189 HIS A 74