USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 526 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+ -167:sc= 0 (180deg=-0.205) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -151:sc= 0.587 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc=-0.00534 X(o=-0.0053,f=0) USER MOD Single : A 33 MET CE :methyl -141:sc= -0.729 (180deg=-2.51) USER MOD Single : A 34 THR OG1 : rot 101:sc= 1.25 USER MOD Single : A 35 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -163:sc= -0.273 (180deg=-1.02) USER MOD Single : A 59 GLN : amide:sc= -0.622 K(o=-0.62,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.996 K(o=-1,f=-5.7!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.781 USER MOD Single : A 67 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 145:sc= -0.133 (180deg=-1.43) USER MOD Single : A 70 THR OG1 : rot 70:sc= 0.0215 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.00194) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.118 -4.071 5.209 1.00 73.41 N ATOM 2 CA MET A 1 5.250 -4.660 5.914 1.00 4.33 C ATOM 3 C MET A 1 6.155 -5.421 4.951 1.00 42.25 C ATOM 4 O MET A 1 7.376 -5.432 5.109 1.00 61.25 O ATOM 5 CB MET A 1 4.760 -5.597 7.019 1.00 14.03 C ATOM 6 CG MET A 1 4.332 -4.872 8.285 1.00 24.45 C ATOM 7 SD MET A 1 2.540 -4.763 8.452 1.00 24.12 S ATOM 8 CE MET A 1 2.200 -6.234 9.415 1.00 35.41 C ATOM 0 H1 MET A 1 3.642 -3.384 5.829 1.00 73.41 H new ATOM 0 H2 MET A 1 4.456 -3.588 4.352 1.00 73.41 H new ATOM 0 H3 MET A 1 3.447 -4.820 4.943 1.00 73.41 H new ATOM 0 HA MET A 1 5.826 -3.851 6.363 1.00 4.33 H new ATOM 0 HB2 MET A 1 3.920 -6.181 6.643 1.00 14.03 H new ATOM 0 HB3 MET A 1 5.554 -6.302 7.265 1.00 14.03 H new ATOM 0 HG2 MET A 1 4.743 -5.390 9.152 1.00 24.45 H new ATOM 0 HG3 MET A 1 4.755 -3.867 8.284 1.00 24.45 H new ATOM 0 HE1 MET A 1 1.129 -6.307 9.601 1.00 35.41 H new ATOM 0 HE2 MET A 1 2.534 -7.114 8.865 1.00 35.41 H new ATOM 0 HE3 MET A 1 2.730 -6.177 10.366 1.00 35.41 H new ATOM 18 N ASP A 2 5.549 -6.055 3.953 1.00 30.43 N ATOM 19 CA ASP A 2 6.300 -6.818 2.964 1.00 64.55 C ATOM 20 C ASP A 2 5.622 -6.754 1.599 1.00 63.15 C ATOM 21 O ASP A 2 5.073 -7.746 1.118 1.00 15.03 O ATOM 22 CB ASP A 2 6.440 -8.275 3.409 1.00 13.14 C ATOM 23 CG ASP A 2 7.264 -8.417 4.674 1.00 15.22 C ATOM 24 OD1 ASP A 2 6.698 -8.237 5.773 1.00 24.40 O ATOM 25 OD2 ASP A 2 8.474 -8.707 4.565 1.00 14.41 O ATOM 0 H ASP A 2 4.539 -6.055 3.808 1.00 30.43 H new ATOM 0 HA ASP A 2 7.293 -6.376 2.879 1.00 64.55 H new ATOM 0 HB2 ASP A 2 5.449 -8.698 3.575 1.00 13.14 H new ATOM 0 HB3 ASP A 2 6.904 -8.853 2.610 1.00 13.14 H new ATOM 30 N THR A 3 5.664 -5.579 0.977 1.00 30.44 N ATOM 31 CA THR A 3 5.052 -5.384 -0.331 1.00 21.41 C ATOM 32 C THR A 3 5.904 -6.002 -1.434 1.00 21.11 C ATOM 33 O THR A 3 7.131 -5.909 -1.409 1.00 25.43 O ATOM 34 CB THR A 3 4.843 -3.889 -0.636 1.00 72.21 C ATOM 35 OG1 THR A 3 6.107 -3.218 -0.689 1.00 32.31 O ATOM 36 CG2 THR A 3 3.962 -3.239 0.420 1.00 31.53 C ATOM 0 H THR A 3 6.116 -4.748 1.359 1.00 30.44 H new ATOM 0 HA THR A 3 4.082 -5.881 -0.304 1.00 21.41 H new ATOM 0 HB THR A 3 4.347 -3.804 -1.603 1.00 72.21 H new ATOM 0 HG1 THR A 3 5.965 -2.268 -0.885 1.00 32.31 H new ATOM 0 HG21 THR A 3 3.829 -2.183 0.183 1.00 31.53 H new ATOM 0 HG22 THR A 3 2.990 -3.733 0.437 1.00 31.53 H new ATOM 0 HG23 THR A 3 4.435 -3.335 1.397 1.00 31.53 H new ATOM 44 N ASP A 4 5.246 -6.631 -2.401 1.00 32.50 N ATOM 45 CA ASP A 4 5.943 -7.263 -3.515 1.00 24.31 C ATOM 46 C ASP A 4 6.860 -8.378 -3.020 1.00 41.21 C ATOM 47 O ASP A 4 7.968 -8.121 -2.550 1.00 2.21 O ATOM 48 CB ASP A 4 6.755 -6.225 -4.291 1.00 3.02 C ATOM 49 CG ASP A 4 6.169 -5.936 -5.659 1.00 0.13 C ATOM 50 OD1 ASP A 4 4.937 -5.751 -5.749 1.00 25.42 O ATOM 51 OD2 ASP A 4 6.942 -5.895 -6.639 1.00 53.02 O ATOM 0 H ASP A 4 4.230 -6.717 -2.436 1.00 32.50 H new ATOM 0 HA ASP A 4 5.196 -7.699 -4.179 1.00 24.31 H new ATOM 0 HB2 ASP A 4 6.801 -5.300 -3.716 1.00 3.02 H new ATOM 0 HB3 ASP A 4 7.779 -6.581 -4.405 1.00 3.02 H new ATOM 56 N SER A 5 6.389 -9.616 -3.129 1.00 24.14 N ATOM 57 CA SER A 5 7.165 -10.770 -2.688 1.00 14.13 C ATOM 58 C SER A 5 8.308 -11.058 -3.656 1.00 32.31 C ATOM 59 O SER A 5 8.105 -11.660 -4.710 1.00 40.31 O ATOM 60 CB SER A 5 6.263 -12.000 -2.564 1.00 40.34 C ATOM 61 OG SER A 5 6.278 -12.513 -1.244 1.00 0.34 O ATOM 0 H SER A 5 5.475 -9.846 -3.518 1.00 24.14 H new ATOM 0 HA SER A 5 7.590 -10.540 -1.711 1.00 14.13 H new ATOM 0 HB2 SER A 5 5.243 -11.736 -2.843 1.00 40.34 H new ATOM 0 HB3 SER A 5 6.595 -12.770 -3.260 1.00 40.34 H new ATOM 0 HG SER A 5 6.104 -13.477 -1.266 1.00 0.34 H new ATOM 67 N GLU A 6 9.510 -10.624 -3.289 1.00 34.31 N ATOM 68 CA GLU A 6 10.685 -10.835 -4.125 1.00 44.02 C ATOM 69 C GLU A 6 11.530 -11.990 -3.595 1.00 3.20 C ATOM 70 O GLU A 6 12.193 -12.689 -4.360 1.00 44.12 O ATOM 71 CB GLU A 6 11.528 -9.560 -4.190 1.00 1.55 C ATOM 72 CG GLU A 6 12.169 -9.186 -2.864 1.00 22.05 C ATOM 73 CD GLU A 6 13.648 -9.519 -2.816 1.00 73.30 C ATOM 74 OE1 GLU A 6 14.422 -8.896 -3.572 1.00 13.32 O ATOM 75 OE2 GLU A 6 14.031 -10.404 -2.022 1.00 75.21 O ATOM 0 H GLU A 6 9.695 -10.125 -2.419 1.00 34.31 H new ATOM 0 HA GLU A 6 10.344 -11.088 -5.129 1.00 44.02 H new ATOM 0 HB2 GLU A 6 12.310 -9.689 -4.938 1.00 1.55 H new ATOM 0 HB3 GLU A 6 10.899 -8.735 -4.525 1.00 1.55 H new ATOM 0 HG2 GLU A 6 12.035 -8.119 -2.688 1.00 22.05 H new ATOM 0 HG3 GLU A 6 11.656 -9.709 -2.057 1.00 22.05 H new ATOM 82 N GLU A 7 11.501 -12.182 -2.280 1.00 14.01 N ATOM 83 CA GLU A 7 12.265 -13.251 -1.647 1.00 51.33 C ATOM 84 C GLU A 7 11.708 -14.619 -2.031 1.00 51.43 C ATOM 85 O GLU A 7 12.449 -15.595 -2.132 1.00 24.41 O ATOM 86 CB GLU A 7 12.247 -13.089 -0.126 1.00 34.32 C ATOM 87 CG GLU A 7 10.857 -13.190 0.480 1.00 11.43 C ATOM 88 CD GLU A 7 10.847 -12.897 1.968 1.00 12.21 C ATOM 89 OE1 GLU A 7 11.532 -11.941 2.389 1.00 64.34 O ATOM 90 OE2 GLU A 7 10.154 -13.623 2.711 1.00 2.55 O ATOM 0 H GLU A 7 10.957 -11.612 -1.633 1.00 14.01 H new ATOM 0 HA GLU A 7 13.294 -13.185 -2.000 1.00 51.33 H new ATOM 0 HB2 GLU A 7 12.885 -13.852 0.320 1.00 34.32 H new ATOM 0 HB3 GLU A 7 12.678 -12.122 0.133 1.00 34.32 H new ATOM 0 HG2 GLU A 7 10.191 -12.492 -0.028 1.00 11.43 H new ATOM 0 HG3 GLU A 7 10.461 -14.191 0.308 1.00 11.43 H new ATOM 97 N GLU A 8 10.397 -14.679 -2.244 1.00 0.12 N ATOM 98 CA GLU A 8 9.741 -15.927 -2.615 1.00 53.01 C ATOM 99 C GLU A 8 9.981 -16.251 -4.087 1.00 30.12 C ATOM 100 O GLU A 8 9.563 -17.300 -4.578 1.00 54.35 O ATOM 101 CB GLU A 8 8.238 -15.841 -2.339 1.00 41.43 C ATOM 102 CG GLU A 8 7.788 -16.675 -1.151 1.00 44.54 C ATOM 103 CD GLU A 8 6.304 -16.541 -0.874 1.00 33.04 C ATOM 104 OE1 GLU A 8 5.796 -15.400 -0.892 1.00 22.30 O ATOM 105 OE2 GLU A 8 5.649 -17.578 -0.638 1.00 23.40 O ATOM 0 H GLU A 8 9.769 -13.879 -2.166 1.00 0.12 H new ATOM 0 HA GLU A 8 10.169 -16.726 -2.010 1.00 53.01 H new ATOM 0 HB2 GLU A 8 7.968 -14.799 -2.164 1.00 41.43 H new ATOM 0 HB3 GLU A 8 7.695 -16.166 -3.227 1.00 41.43 H new ATOM 0 HG2 GLU A 8 8.026 -17.722 -1.336 1.00 44.54 H new ATOM 0 HG3 GLU A 8 8.348 -16.372 -0.266 1.00 44.54 H new ATOM 112 N ILE A 9 10.657 -15.344 -4.784 1.00 14.34 N ATOM 113 CA ILE A 9 10.953 -15.533 -6.198 1.00 40.12 C ATOM 114 C ILE A 9 12.260 -16.294 -6.389 1.00 25.11 C ATOM 115 O ILE A 9 12.331 -17.239 -7.175 1.00 5.10 O ATOM 116 CB ILE A 9 11.044 -14.186 -6.939 1.00 55.14 C ATOM 117 CG1 ILE A 9 9.715 -13.433 -6.838 1.00 63.15 C ATOM 118 CG2 ILE A 9 11.424 -14.407 -8.396 1.00 33.32 C ATOM 119 CD1 ILE A 9 9.753 -12.055 -7.462 1.00 74.50 C ATOM 0 H ILE A 9 11.010 -14.471 -4.392 1.00 14.34 H new ATOM 0 HA ILE A 9 10.132 -16.115 -6.617 1.00 40.12 H new ATOM 0 HB ILE A 9 11.820 -13.581 -6.469 1.00 55.14 H new ATOM 0 HG12 ILE A 9 8.936 -14.021 -7.322 1.00 63.15 H new ATOM 0 HG13 ILE A 9 9.438 -13.340 -5.788 1.00 63.15 H new ATOM 0 HG21 ILE A 9 11.484 -13.446 -8.906 1.00 33.32 H new ATOM 0 HG22 ILE A 9 12.391 -14.907 -8.448 1.00 33.32 H new ATOM 0 HG23 ILE A 9 10.669 -15.027 -8.879 1.00 33.32 H new ATOM 0 HD11 ILE A 9 8.778 -11.580 -7.354 1.00 74.50 H new ATOM 0 HD12 ILE A 9 10.509 -11.450 -6.962 1.00 74.50 H new ATOM 0 HD13 ILE A 9 9.999 -12.142 -8.520 1.00 74.50 H new ATOM 131 N ARG A 10 13.293 -15.877 -5.663 1.00 72.31 N ATOM 132 CA ARG A 10 14.598 -16.520 -5.752 1.00 23.23 C ATOM 133 C ARG A 10 14.508 -17.991 -5.354 1.00 3.42 C ATOM 134 O ARG A 10 15.229 -18.833 -5.888 1.00 54.25 O ATOM 135 CB ARG A 10 15.607 -15.799 -4.856 1.00 64.31 C ATOM 136 CG ARG A 10 15.384 -16.038 -3.372 1.00 13.13 C ATOM 137 CD ARG A 10 16.257 -17.168 -2.851 1.00 64.53 C ATOM 138 NE ARG A 10 15.725 -17.750 -1.622 1.00 61.21 N ATOM 139 CZ ARG A 10 15.761 -17.138 -0.444 1.00 14.12 C ATOM 140 NH1 ARG A 10 16.300 -15.932 -0.336 1.00 0.41 N ATOM 141 NH2 ARG A 10 15.255 -17.732 0.630 1.00 65.34 N ATOM 0 H ARG A 10 13.251 -15.097 -5.007 1.00 72.31 H new ATOM 0 HA ARG A 10 14.934 -16.462 -6.787 1.00 23.23 H new ATOM 0 HB2 ARG A 10 16.613 -16.125 -5.121 1.00 64.31 H new ATOM 0 HB3 ARG A 10 15.556 -14.728 -5.055 1.00 64.31 H new ATOM 0 HG2 ARG A 10 15.602 -15.124 -2.819 1.00 13.13 H new ATOM 0 HG3 ARG A 10 14.335 -16.276 -3.195 1.00 13.13 H new ATOM 0 HD2 ARG A 10 16.339 -17.943 -3.613 1.00 64.53 H new ATOM 0 HD3 ARG A 10 17.264 -16.793 -2.668 1.00 64.53 H new ATOM 0 HE ARG A 10 15.303 -18.677 -1.671 1.00 61.21 H new ATOM 0 HH11 ARG A 10 16.689 -15.471 -1.159 1.00 0.41 H new ATOM 0 HH12 ARG A 10 16.326 -15.464 0.570 1.00 0.41 H new ATOM 0 HH21 ARG A 10 14.838 -18.659 0.551 1.00 65.34 H new ATOM 0 HH22 ARG A 10 15.283 -17.261 1.534 1.00 65.34 H new ATOM 155 N GLU A 11 13.619 -18.290 -4.412 1.00 24.23 N ATOM 156 CA GLU A 11 13.437 -19.658 -3.942 1.00 21.51 C ATOM 157 C GLU A 11 12.529 -20.442 -4.886 1.00 44.51 C ATOM 158 O GLU A 11 12.623 -21.665 -4.982 1.00 11.24 O ATOM 159 CB GLU A 11 12.847 -19.662 -2.530 1.00 24.10 C ATOM 160 CG GLU A 11 13.285 -20.851 -1.691 1.00 34.11 C ATOM 161 CD GLU A 11 12.558 -20.926 -0.362 1.00 73.12 C ATOM 162 OE1 GLU A 11 11.753 -20.016 -0.073 1.00 4.10 O ATOM 163 OE2 GLU A 11 12.794 -21.896 0.388 1.00 33.14 O ATOM 0 H GLU A 11 13.014 -17.604 -3.960 1.00 24.23 H new ATOM 0 HA GLU A 11 14.414 -20.140 -3.921 1.00 21.51 H new ATOM 0 HB2 GLU A 11 13.137 -18.743 -2.021 1.00 24.10 H new ATOM 0 HB3 GLU A 11 11.759 -19.658 -2.600 1.00 24.10 H new ATOM 0 HG2 GLU A 11 13.109 -21.770 -2.250 1.00 34.11 H new ATOM 0 HG3 GLU A 11 14.358 -20.788 -1.511 1.00 34.11 H new ATOM 170 N ALA A 12 11.651 -19.727 -5.581 1.00 51.52 N ATOM 171 CA ALA A 12 10.727 -20.353 -6.519 1.00 22.13 C ATOM 172 C ALA A 12 11.469 -20.921 -7.724 1.00 41.40 C ATOM 173 O ALA A 12 11.107 -21.974 -8.249 1.00 1.20 O ATOM 174 CB ALA A 12 9.673 -19.353 -6.969 1.00 14.14 C ATOM 0 H ALA A 12 11.560 -18.713 -5.512 1.00 51.52 H new ATOM 0 HA ALA A 12 10.233 -21.179 -6.007 1.00 22.13 H new ATOM 0 HB1 ALA A 12 8.990 -19.834 -7.669 1.00 14.14 H new ATOM 0 HB2 ALA A 12 9.114 -18.999 -6.103 1.00 14.14 H new ATOM 0 HB3 ALA A 12 10.158 -18.508 -7.458 1.00 14.14 H new ATOM 180 N PHE A 13 12.508 -20.216 -8.159 1.00 5.22 N ATOM 181 CA PHE A 13 13.301 -20.649 -9.304 1.00 54.10 C ATOM 182 C PHE A 13 14.367 -21.654 -8.879 1.00 3.33 C ATOM 183 O PHE A 13 14.905 -22.392 -9.705 1.00 13.52 O ATOM 184 CB PHE A 13 13.959 -19.445 -9.980 1.00 51.34 C ATOM 185 CG PHE A 13 13.437 -19.174 -11.362 1.00 53.24 C ATOM 186 CD1 PHE A 13 13.366 -20.190 -12.302 1.00 12.31 C ATOM 187 CD2 PHE A 13 13.016 -17.903 -11.722 1.00 22.52 C ATOM 188 CE1 PHE A 13 12.886 -19.943 -13.574 1.00 44.25 C ATOM 189 CE2 PHE A 13 12.535 -17.651 -12.993 1.00 5.42 C ATOM 190 CZ PHE A 13 12.470 -18.672 -13.920 1.00 34.10 C ATOM 0 H PHE A 13 12.821 -19.342 -7.736 1.00 5.22 H new ATOM 0 HA PHE A 13 12.632 -21.135 -10.014 1.00 54.10 H new ATOM 0 HB2 PHE A 13 13.803 -18.561 -9.362 1.00 51.34 H new ATOM 0 HB3 PHE A 13 15.035 -19.611 -10.033 1.00 51.34 H new ATOM 0 HD1 PHE A 13 13.689 -21.186 -12.037 1.00 12.31 H new ATOM 0 HD2 PHE A 13 13.064 -17.100 -11.001 1.00 22.52 H new ATOM 0 HE1 PHE A 13 12.836 -20.743 -14.297 1.00 44.25 H new ATOM 0 HE2 PHE A 13 12.210 -16.656 -13.261 1.00 5.42 H new ATOM 0 HZ PHE A 13 12.095 -18.477 -14.914 1.00 34.10 H new ATOM 200 N ARG A 14 14.669 -21.675 -7.585 1.00 32.44 N ATOM 201 CA ARG A 14 15.672 -22.587 -7.049 1.00 62.50 C ATOM 202 C ARG A 14 15.062 -23.955 -6.755 1.00 42.11 C ATOM 203 O ARG A 14 15.719 -24.985 -6.908 1.00 33.12 O ATOM 204 CB ARG A 14 16.290 -22.008 -5.775 1.00 64.51 C ATOM 205 CG ARG A 14 17.390 -22.875 -5.183 1.00 72.33 C ATOM 206 CD ARG A 14 18.279 -22.080 -4.240 1.00 32.32 C ATOM 207 NE ARG A 14 19.115 -21.119 -4.955 1.00 35.44 N ATOM 208 CZ ARG A 14 20.098 -20.432 -4.383 1.00 75.54 C ATOM 209 NH1 ARG A 14 20.367 -20.600 -3.096 1.00 52.00 N ATOM 210 NH2 ARG A 14 20.814 -19.576 -5.100 1.00 70.24 N ATOM 0 H ARG A 14 14.233 -21.071 -6.888 1.00 32.44 H new ATOM 0 HA ARG A 14 16.452 -22.710 -7.800 1.00 62.50 H new ATOM 0 HB2 ARG A 14 16.696 -21.021 -5.995 1.00 64.51 H new ATOM 0 HB3 ARG A 14 15.506 -21.872 -5.030 1.00 64.51 H new ATOM 0 HG2 ARG A 14 16.945 -23.713 -4.646 1.00 72.33 H new ATOM 0 HG3 ARG A 14 17.995 -23.296 -5.986 1.00 72.33 H new ATOM 0 HD2 ARG A 14 17.659 -21.552 -3.516 1.00 32.32 H new ATOM 0 HD3 ARG A 14 18.914 -22.764 -3.677 1.00 32.32 H new ATOM 0 HE ARG A 14 18.934 -20.967 -5.947 1.00 35.44 H new ATOM 0 HH11 ARG A 14 19.819 -21.258 -2.542 1.00 52.00 H new ATOM 0 HH12 ARG A 14 21.122 -20.071 -2.660 1.00 52.00 H new ATOM 0 HH21 ARG A 14 20.610 -19.445 -6.091 1.00 70.24 H new ATOM 0 HH22 ARG A 14 21.569 -19.049 -4.661 1.00 70.24 H new ATOM 224 N VAL A 15 13.802 -23.957 -6.332 1.00 40.40 N ATOM 225 CA VAL A 15 13.103 -25.197 -6.017 1.00 50.31 C ATOM 226 C VAL A 15 12.648 -25.908 -7.286 1.00 73.41 C ATOM 227 O VAL A 15 12.474 -27.127 -7.299 1.00 34.11 O ATOM 228 CB VAL A 15 11.879 -24.938 -5.119 1.00 75.31 C ATOM 229 CG1 VAL A 15 11.119 -26.232 -4.866 1.00 41.23 C ATOM 230 CG2 VAL A 15 12.306 -24.296 -3.808 1.00 30.31 C ATOM 0 H VAL A 15 13.244 -23.113 -6.200 1.00 40.40 H new ATOM 0 HA VAL A 15 13.809 -25.832 -5.482 1.00 50.31 H new ATOM 0 HB VAL A 15 11.212 -24.247 -5.635 1.00 75.31 H new ATOM 0 HG11 VAL A 15 10.257 -26.030 -4.230 1.00 41.23 H new ATOM 0 HG12 VAL A 15 10.780 -26.646 -5.815 1.00 41.23 H new ATOM 0 HG13 VAL A 15 11.775 -26.948 -4.371 1.00 41.23 H new ATOM 0 HG21 VAL A 15 11.428 -24.120 -3.186 1.00 30.31 H new ATOM 0 HG22 VAL A 15 12.994 -24.960 -3.285 1.00 30.31 H new ATOM 0 HG23 VAL A 15 12.802 -23.347 -4.012 1.00 30.31 H new ATOM 240 N PHE A 16 12.457 -25.139 -8.353 1.00 73.50 N ATOM 241 CA PHE A 16 12.021 -25.696 -9.628 1.00 71.15 C ATOM 242 C PHE A 16 13.151 -26.474 -10.297 1.00 34.33 C ATOM 243 O PHE A 16 13.077 -27.694 -10.443 1.00 33.52 O ATOM 244 CB PHE A 16 11.536 -24.581 -10.557 1.00 10.21 C ATOM 245 CG PHE A 16 10.051 -24.593 -10.784 1.00 3.11 C ATOM 246 CD1 PHE A 16 9.176 -24.758 -9.722 1.00 42.03 C ATOM 247 CD2 PHE A 16 9.531 -24.439 -12.059 1.00 13.45 C ATOM 248 CE1 PHE A 16 7.810 -24.770 -9.929 1.00 33.33 C ATOM 249 CE2 PHE A 16 8.165 -24.450 -12.271 1.00 11.40 C ATOM 250 CZ PHE A 16 7.303 -24.615 -11.204 1.00 44.33 C ATOM 0 H PHE A 16 12.597 -24.129 -8.360 1.00 73.50 H new ATOM 0 HA PHE A 16 11.197 -26.382 -9.433 1.00 71.15 H new ATOM 0 HB2 PHE A 16 11.823 -23.618 -10.136 1.00 10.21 H new ATOM 0 HB3 PHE A 16 12.043 -24.673 -11.517 1.00 10.21 H new ATOM 0 HD1 PHE A 16 9.566 -24.878 -8.722 1.00 42.03 H new ATOM 0 HD2 PHE A 16 10.200 -24.309 -12.897 1.00 13.45 H new ATOM 0 HE1 PHE A 16 7.139 -24.901 -9.093 1.00 33.33 H new ATOM 0 HE2 PHE A 16 7.772 -24.330 -13.270 1.00 11.40 H new ATOM 0 HZ PHE A 16 6.235 -24.623 -11.367 1.00 44.33 H new ATOM 260 N ASP A 17 14.195 -25.759 -10.701 1.00 32.32 N ATOM 261 CA ASP A 17 15.341 -26.381 -11.353 1.00 70.44 C ATOM 262 C ASP A 17 16.051 -27.342 -10.404 1.00 44.44 C ATOM 263 O ASP A 17 16.095 -27.118 -9.195 1.00 11.54 O ATOM 264 CB ASP A 17 16.319 -25.312 -11.843 1.00 14.00 C ATOM 265 CG ASP A 17 17.675 -25.887 -12.200 1.00 20.40 C ATOM 266 OD1 ASP A 17 17.741 -26.714 -13.133 1.00 63.32 O ATOM 267 OD2 ASP A 17 18.670 -25.511 -11.546 1.00 23.55 O ATOM 0 H ASP A 17 14.271 -24.748 -10.588 1.00 32.32 H new ATOM 0 HA ASP A 17 14.977 -26.948 -12.210 1.00 70.44 H new ATOM 0 HB2 ASP A 17 15.899 -24.812 -12.716 1.00 14.00 H new ATOM 0 HB3 ASP A 17 16.441 -24.554 -11.069 1.00 14.00 H new ATOM 272 N LYS A 18 16.607 -28.413 -10.961 1.00 54.20 N ATOM 273 CA LYS A 18 17.316 -29.408 -10.166 1.00 33.22 C ATOM 274 C LYS A 18 18.558 -28.804 -9.519 1.00 52.40 C ATOM 275 O LYS A 18 19.082 -27.792 -9.985 1.00 61.15 O ATOM 276 CB LYS A 18 17.712 -30.601 -11.039 1.00 54.10 C ATOM 277 CG LYS A 18 16.605 -31.628 -11.204 1.00 53.10 C ATOM 278 CD LYS A 18 17.028 -32.992 -10.687 1.00 23.34 C ATOM 279 CE LYS A 18 16.124 -34.095 -11.216 1.00 13.41 C ATOM 280 NZ LYS A 18 15.184 -34.590 -10.172 1.00 53.44 N ATOM 0 H LYS A 18 16.580 -28.614 -11.961 1.00 54.20 H new ATOM 0 HA LYS A 18 16.646 -29.749 -9.377 1.00 33.22 H new ATOM 0 HB2 LYS A 18 18.009 -30.238 -12.023 1.00 54.10 H new ATOM 0 HB3 LYS A 18 18.584 -31.087 -10.602 1.00 54.10 H new ATOM 0 HG2 LYS A 18 15.716 -31.295 -10.669 1.00 53.10 H new ATOM 0 HG3 LYS A 18 16.333 -31.705 -12.257 1.00 53.10 H new ATOM 0 HD2 LYS A 18 18.058 -33.191 -10.983 1.00 23.34 H new ATOM 0 HD3 LYS A 18 17.004 -32.992 -9.597 1.00 23.34 H new ATOM 0 HE2 LYS A 18 15.556 -33.722 -12.068 1.00 13.41 H new ATOM 0 HE3 LYS A 18 16.734 -34.923 -11.577 1.00 13.41 H new ATOM 0 HZ1 LYS A 18 14.585 -35.341 -10.572 1.00 53.44 H new ATOM 0 HZ2 LYS A 18 15.725 -34.970 -9.369 1.00 53.44 H new ATOM 0 HZ3 LYS A 18 14.584 -33.806 -9.845 1.00 53.44 H new ATOM 294 N ASP A 19 19.024 -29.430 -8.444 1.00 61.25 N ATOM 295 CA ASP A 19 20.207 -28.955 -7.735 1.00 75.34 C ATOM 296 C ASP A 19 21.451 -29.083 -8.608 1.00 42.31 C ATOM 297 O ASP A 19 21.672 -30.111 -9.246 1.00 21.43 O ATOM 298 CB ASP A 19 20.397 -29.739 -6.436 1.00 2.01 C ATOM 299 CG ASP A 19 20.420 -28.840 -5.215 1.00 54.25 C ATOM 300 OD1 ASP A 19 21.437 -28.146 -5.009 1.00 11.01 O ATOM 301 OD2 ASP A 19 19.420 -28.831 -4.466 1.00 41.44 O ATOM 0 H ASP A 19 18.601 -30.268 -8.044 1.00 61.25 H new ATOM 0 HA ASP A 19 20.060 -27.902 -7.496 1.00 75.34 H new ATOM 0 HB2 ASP A 19 19.592 -30.466 -6.333 1.00 2.01 H new ATOM 0 HB3 ASP A 19 21.329 -30.301 -6.487 1.00 2.01 H new ATOM 306 N GLY A 20 22.262 -28.029 -8.632 1.00 54.33 N ATOM 307 CA GLY A 20 23.473 -28.043 -9.431 1.00 2.32 C ATOM 308 C GLY A 20 23.902 -26.653 -9.859 1.00 33.12 C ATOM 309 O GLY A 20 25.016 -26.223 -9.566 1.00 42.53 O ATOM 0 H GLY A 20 22.101 -27.166 -8.112 1.00 54.33 H new ATOM 0 HA2 GLY A 20 24.276 -28.508 -8.859 1.00 2.32 H new ATOM 0 HA3 GLY A 20 23.314 -28.659 -10.316 1.00 2.32 H new ATOM 313 N ASN A 21 23.014 -25.950 -10.555 1.00 63.33 N ATOM 314 CA ASN A 21 23.308 -24.602 -11.027 1.00 13.34 C ATOM 315 C ASN A 21 22.074 -23.710 -10.927 1.00 12.04 C ATOM 316 O ASN A 21 20.984 -24.175 -10.594 1.00 43.15 O ATOM 317 CB ASN A 21 23.806 -24.641 -12.473 1.00 21.53 C ATOM 318 CG ASN A 21 25.320 -24.616 -12.564 1.00 14.35 C ATOM 319 OD1 ASN A 21 25.957 -23.624 -12.210 1.00 50.40 O ATOM 320 ND2 ASN A 21 25.902 -25.710 -13.040 1.00 3.04 N ATOM 0 H ASN A 21 22.086 -26.291 -10.804 1.00 63.33 H new ATOM 0 HA ASN A 21 24.090 -24.185 -10.392 1.00 13.34 H new ATOM 0 HB2 ASN A 21 23.430 -25.541 -12.960 1.00 21.53 H new ATOM 0 HB3 ASN A 21 23.398 -23.790 -13.018 1.00 21.53 H new ATOM 0 HD21 ASN A 21 26.918 -25.752 -13.124 1.00 3.04 H new ATOM 0 HD22 ASN A 21 25.334 -26.509 -13.321 1.00 3.04 H new ATOM 327 N GLY A 22 22.254 -22.425 -11.217 1.00 54.12 N ATOM 328 CA GLY A 22 21.147 -21.488 -11.155 1.00 31.34 C ATOM 329 C GLY A 22 20.708 -21.017 -12.527 1.00 2.32 C ATOM 330 O GLY A 22 20.622 -19.815 -12.779 1.00 55.33 O ATOM 0 H GLY A 22 23.147 -22.016 -11.494 1.00 54.12 H new ATOM 0 HA2 GLY A 22 20.304 -21.959 -10.649 1.00 31.34 H new ATOM 0 HA3 GLY A 22 21.438 -20.626 -10.554 1.00 31.34 H new ATOM 334 N TYR A 23 20.433 -21.964 -13.416 1.00 35.21 N ATOM 335 CA TYR A 23 20.005 -21.639 -14.771 1.00 74.24 C ATOM 336 C TYR A 23 18.819 -22.503 -15.190 1.00 54.31 C ATOM 337 O TYR A 23 18.872 -23.730 -15.110 1.00 72.34 O ATOM 338 CB TYR A 23 21.161 -21.831 -15.754 1.00 4.04 C ATOM 339 CG TYR A 23 22.299 -20.857 -15.547 1.00 51.42 C ATOM 340 CD1 TYR A 23 22.163 -19.517 -15.891 1.00 61.11 C ATOM 341 CD2 TYR A 23 23.510 -21.275 -15.009 1.00 74.15 C ATOM 342 CE1 TYR A 23 23.200 -18.623 -15.705 1.00 72.20 C ATOM 343 CE2 TYR A 23 24.551 -20.388 -14.819 1.00 22.05 C ATOM 344 CZ TYR A 23 24.392 -19.063 -15.168 1.00 74.30 C ATOM 345 OH TYR A 23 25.427 -18.177 -14.981 1.00 2.23 O ATOM 0 H TYR A 23 20.499 -22.963 -13.223 1.00 35.21 H new ATOM 0 HA TYR A 23 19.694 -20.594 -14.785 1.00 74.24 H new ATOM 0 HB2 TYR A 23 21.542 -22.848 -15.660 1.00 4.04 H new ATOM 0 HB3 TYR A 23 20.784 -21.725 -16.771 1.00 4.04 H new ATOM 0 HD1 TYR A 23 21.231 -19.169 -16.311 1.00 61.11 H new ATOM 0 HD2 TYR A 23 23.639 -22.312 -14.735 1.00 74.15 H new ATOM 0 HE1 TYR A 23 23.078 -17.585 -15.979 1.00 72.20 H new ATOM 0 HE2 TYR A 23 25.485 -20.730 -14.399 1.00 22.05 H new ATOM 0 HH TYR A 23 26.194 -18.647 -14.593 1.00 2.23 H new ATOM 355 N ILE A 24 17.750 -21.852 -15.637 1.00 11.32 N ATOM 356 CA ILE A 24 16.551 -22.559 -16.070 1.00 1.20 C ATOM 357 C ILE A 24 16.410 -22.522 -17.588 1.00 34.22 C ATOM 358 O ILE A 24 17.118 -21.782 -18.270 1.00 2.01 O ATOM 359 CB ILE A 24 15.283 -21.960 -15.433 1.00 22.22 C ATOM 360 CG1 ILE A 24 15.155 -20.479 -15.794 1.00 50.04 C ATOM 361 CG2 ILE A 24 15.313 -22.142 -13.923 1.00 1.34 C ATOM 362 CD1 ILE A 24 13.913 -20.158 -16.596 1.00 12.13 C ATOM 0 H ILE A 24 17.690 -20.836 -15.709 1.00 11.32 H new ATOM 0 HA ILE A 24 16.658 -23.593 -15.742 1.00 1.20 H new ATOM 0 HB ILE A 24 14.413 -22.486 -15.826 1.00 22.22 H new ATOM 0 HG12 ILE A 24 15.148 -19.889 -14.877 1.00 50.04 H new ATOM 0 HG13 ILE A 24 16.034 -20.175 -16.363 1.00 50.04 H new ATOM 0 HG21 ILE A 24 14.411 -21.714 -13.487 1.00 1.34 H new ATOM 0 HG22 ILE A 24 15.362 -23.205 -13.686 1.00 1.34 H new ATOM 0 HG23 ILE A 24 16.188 -21.638 -13.513 1.00 1.34 H new ATOM 0 HD11 ILE A 24 13.888 -19.091 -16.816 1.00 12.13 H new ATOM 0 HD12 ILE A 24 13.927 -20.721 -17.529 1.00 12.13 H new ATOM 0 HD13 ILE A 24 13.028 -20.431 -16.021 1.00 12.13 H new ATOM 374 N SER A 25 15.488 -23.325 -18.110 1.00 62.23 N ATOM 375 CA SER A 25 15.254 -23.386 -19.548 1.00 64.44 C ATOM 376 C SER A 25 14.042 -22.546 -19.938 1.00 31.21 C ATOM 377 O SER A 25 13.296 -22.077 -19.079 1.00 21.44 O ATOM 378 CB SER A 25 15.048 -24.836 -19.992 1.00 21.14 C ATOM 379 OG SER A 25 16.288 -25.470 -20.257 1.00 54.52 O ATOM 0 H SER A 25 14.891 -23.942 -17.559 1.00 62.23 H new ATOM 0 HA SER A 25 16.132 -22.981 -20.051 1.00 64.44 H new ATOM 0 HB2 SER A 25 14.514 -25.385 -19.216 1.00 21.14 H new ATOM 0 HB3 SER A 25 14.425 -24.861 -20.886 1.00 21.14 H new ATOM 0 HG SER A 25 16.129 -26.396 -20.537 1.00 54.52 H new ATOM 385 N ALA A 26 13.852 -22.360 -21.240 1.00 64.51 N ATOM 386 CA ALA A 26 12.730 -21.579 -21.745 1.00 3.01 C ATOM 387 C ALA A 26 11.434 -21.961 -21.039 1.00 13.31 C ATOM 388 O ALA A 26 10.707 -21.098 -20.546 1.00 61.31 O ATOM 389 CB ALA A 26 12.590 -21.767 -23.248 1.00 61.02 C ATOM 0 H ALA A 26 14.461 -22.740 -21.965 1.00 64.51 H new ATOM 0 HA ALA A 26 12.929 -20.527 -21.539 1.00 3.01 H new ATOM 0 HB1 ALA A 26 11.748 -21.178 -23.612 1.00 61.02 H new ATOM 0 HB2 ALA A 26 13.504 -21.438 -23.743 1.00 61.02 H new ATOM 0 HB3 ALA A 26 12.418 -22.820 -23.468 1.00 61.02 H new ATOM 395 N ALA A 27 11.149 -23.258 -20.994 1.00 64.24 N ATOM 396 CA ALA A 27 9.941 -23.754 -20.348 1.00 12.35 C ATOM 397 C ALA A 27 9.750 -23.114 -18.977 1.00 3.25 C ATOM 398 O ALA A 27 8.761 -22.421 -18.736 1.00 62.23 O ATOM 399 CB ALA A 27 9.993 -25.269 -20.222 1.00 74.13 C ATOM 0 H ALA A 27 11.739 -23.985 -21.398 1.00 64.24 H new ATOM 0 HA ALA A 27 9.088 -23.482 -20.970 1.00 12.35 H new ATOM 0 HB1 ALA A 27 9.084 -25.625 -19.738 1.00 74.13 H new ATOM 0 HB2 ALA A 27 10.074 -25.714 -21.214 1.00 74.13 H new ATOM 0 HB3 ALA A 27 10.859 -25.555 -19.624 1.00 74.13 H new ATOM 405 N ASP A 28 10.702 -23.351 -18.081 1.00 3.21 N ATOM 406 CA ASP A 28 10.639 -22.797 -16.733 1.00 63.03 C ATOM 407 C ASP A 28 10.434 -21.286 -16.776 1.00 35.02 C ATOM 408 O ASP A 28 9.824 -20.706 -15.876 1.00 74.23 O ATOM 409 CB ASP A 28 11.918 -23.129 -15.962 1.00 51.33 C ATOM 410 CG ASP A 28 11.824 -24.451 -15.227 1.00 61.22 C ATOM 411 OD1 ASP A 28 11.045 -25.321 -15.669 1.00 13.02 O ATOM 412 OD2 ASP A 28 12.530 -24.616 -14.210 1.00 34.33 O ATOM 0 H ASP A 28 11.527 -23.923 -18.264 1.00 3.21 H new ATOM 0 HA ASP A 28 9.788 -23.247 -16.221 1.00 63.03 H new ATOM 0 HB2 ASP A 28 12.759 -23.161 -16.655 1.00 51.33 H new ATOM 0 HB3 ASP A 28 12.125 -22.333 -15.247 1.00 51.33 H new ATOM 417 N LEU A 29 10.947 -20.654 -17.825 1.00 51.41 N ATOM 418 CA LEU A 29 10.821 -19.209 -17.985 1.00 34.11 C ATOM 419 C LEU A 29 9.385 -18.822 -18.326 1.00 61.42 C ATOM 420 O LEU A 29 8.778 -17.991 -17.651 1.00 4.12 O ATOM 421 CB LEU A 29 11.768 -18.712 -19.078 1.00 23.21 C ATOM 422 CG LEU A 29 12.075 -17.214 -19.070 1.00 62.23 C ATOM 423 CD1 LEU A 29 12.982 -16.861 -17.902 1.00 25.20 C ATOM 424 CD2 LEU A 29 12.710 -16.793 -20.387 1.00 64.25 C ATOM 0 H LEU A 29 11.454 -21.119 -18.578 1.00 51.41 H new ATOM 0 HA LEU A 29 11.090 -18.739 -17.039 1.00 34.11 H new ATOM 0 HB2 LEU A 29 12.709 -19.256 -18.991 1.00 23.21 H new ATOM 0 HB3 LEU A 29 11.340 -18.970 -20.047 1.00 23.21 H new ATOM 0 HG LEU A 29 11.137 -16.671 -18.952 1.00 62.23 H new ATOM 0 HD11 LEU A 29 13.189 -15.791 -17.913 1.00 25.20 H new ATOM 0 HD12 LEU A 29 12.490 -17.126 -16.966 1.00 25.20 H new ATOM 0 HD13 LEU A 29 13.918 -17.413 -17.988 1.00 25.20 H new ATOM 0 HD21 LEU A 29 12.922 -15.724 -20.364 1.00 64.25 H new ATOM 0 HD22 LEU A 29 13.639 -17.344 -20.536 1.00 64.25 H new ATOM 0 HD23 LEU A 29 12.025 -17.009 -21.207 1.00 64.25 H new ATOM 436 N ARG A 30 8.847 -19.433 -19.377 1.00 43.32 N ATOM 437 CA ARG A 30 7.483 -19.153 -19.807 1.00 73.04 C ATOM 438 C ARG A 30 6.491 -19.421 -18.679 1.00 2.52 C ATOM 439 O ARG A 30 5.473 -18.739 -18.559 1.00 35.13 O ATOM 440 CB ARG A 30 7.125 -20.004 -21.027 1.00 63.42 C ATOM 441 CG ARG A 30 6.637 -19.192 -22.215 1.00 44.33 C ATOM 442 CD ARG A 30 6.140 -20.089 -23.338 1.00 32.25 C ATOM 443 NE ARG A 30 5.025 -20.931 -22.912 1.00 21.14 N ATOM 444 CZ ARG A 30 4.453 -21.843 -23.690 1.00 45.02 C ATOM 445 NH1 ARG A 30 4.890 -22.030 -24.928 1.00 52.12 N ATOM 446 NH2 ARG A 30 3.443 -22.571 -23.231 1.00 4.54 N ATOM 0 H ARG A 30 9.335 -20.125 -19.946 1.00 43.32 H new ATOM 0 HA ARG A 30 7.424 -18.099 -20.077 1.00 73.04 H new ATOM 0 HB2 ARG A 30 8.000 -20.580 -21.327 1.00 63.42 H new ATOM 0 HB3 ARG A 30 6.353 -20.720 -20.746 1.00 63.42 H new ATOM 0 HG2 ARG A 30 5.834 -18.527 -21.897 1.00 44.33 H new ATOM 0 HG3 ARG A 30 7.446 -18.561 -22.583 1.00 44.33 H new ATOM 0 HD2 ARG A 30 5.828 -19.474 -24.182 1.00 32.25 H new ATOM 0 HD3 ARG A 30 6.958 -20.719 -23.688 1.00 32.25 H new ATOM 0 HE ARG A 30 4.666 -20.812 -21.965 1.00 21.14 H new ATOM 0 HH11 ARG A 30 5.667 -21.473 -25.284 1.00 52.12 H new ATOM 0 HH12 ARG A 30 4.449 -22.731 -25.524 1.00 52.12 H new ATOM 0 HH21 ARG A 30 3.104 -22.431 -22.279 1.00 4.54 H new ATOM 0 HH22 ARG A 30 3.005 -23.271 -23.830 1.00 4.54 H new ATOM 460 N HIS A 31 6.796 -20.417 -17.854 1.00 22.30 N ATOM 461 CA HIS A 31 5.932 -20.775 -16.735 1.00 31.02 C ATOM 462 C HIS A 31 5.973 -19.701 -15.652 1.00 20.23 C ATOM 463 O HIS A 31 4.955 -19.087 -15.333 1.00 51.23 O ATOM 464 CB HIS A 31 6.352 -22.123 -16.149 1.00 25.21 C ATOM 465 CG HIS A 31 5.685 -23.294 -16.801 1.00 74.32 C ATOM 466 ND1 HIS A 31 4.574 -23.918 -16.272 1.00 64.34 N ATOM 467 CD2 HIS A 31 5.975 -23.954 -17.947 1.00 22.12 C ATOM 468 CE1 HIS A 31 4.212 -24.912 -17.064 1.00 21.24 C ATOM 469 NE2 HIS A 31 5.046 -24.955 -18.087 1.00 73.13 N ATOM 0 H HIS A 31 7.635 -20.991 -17.939 1.00 22.30 H new ATOM 0 HA HIS A 31 4.910 -20.852 -17.107 1.00 31.02 H new ATOM 0 HB2 HIS A 31 7.432 -22.231 -16.245 1.00 25.21 H new ATOM 0 HB3 HIS A 31 6.125 -22.133 -15.083 1.00 25.21 H new ATOM 0 HD2 HIS A 31 6.786 -23.734 -18.625 1.00 22.12 H new ATOM 0 HE1 HIS A 31 3.376 -25.576 -16.902 1.00 21.24 H new ATOM 0 HE2 HIS A 31 5.006 -25.624 -18.856 1.00 73.13 H new ATOM 477 N VAL A 32 7.157 -19.481 -15.088 1.00 53.33 N ATOM 478 CA VAL A 32 7.331 -18.481 -14.041 1.00 73.12 C ATOM 479 C VAL A 32 6.856 -17.109 -14.507 1.00 24.20 C ATOM 480 O VAL A 32 6.208 -16.378 -13.759 1.00 30.54 O ATOM 481 CB VAL A 32 8.803 -18.381 -13.600 1.00 50.22 C ATOM 482 CG1 VAL A 32 8.954 -17.377 -12.468 1.00 0.34 C ATOM 483 CG2 VAL A 32 9.329 -19.747 -13.186 1.00 40.23 C ATOM 0 H VAL A 32 8.009 -19.982 -15.339 1.00 53.33 H new ATOM 0 HA VAL A 32 6.727 -18.802 -13.193 1.00 73.12 H new ATOM 0 HB VAL A 32 9.395 -18.030 -14.446 1.00 50.22 H new ATOM 0 HG11 VAL A 32 10.001 -17.320 -12.170 1.00 0.34 H new ATOM 0 HG12 VAL A 32 8.619 -16.396 -12.805 1.00 0.34 H new ATOM 0 HG13 VAL A 32 8.351 -17.694 -11.617 1.00 0.34 H new ATOM 0 HG21 VAL A 32 10.371 -19.658 -12.877 1.00 40.23 H new ATOM 0 HG22 VAL A 32 8.736 -20.129 -12.355 1.00 40.23 H new ATOM 0 HG23 VAL A 32 9.258 -20.435 -14.029 1.00 40.23 H new ATOM 493 N MET A 33 7.184 -16.766 -15.748 1.00 40.14 N ATOM 494 CA MET A 33 6.790 -15.481 -16.315 1.00 33.30 C ATOM 495 C MET A 33 5.274 -15.394 -16.462 1.00 71.41 C ATOM 496 O MET A 33 4.635 -14.502 -15.904 1.00 3.43 O ATOM 497 CB MET A 33 7.459 -15.273 -17.675 1.00 14.30 C ATOM 498 CG MET A 33 8.928 -14.895 -17.578 1.00 71.30 C ATOM 499 SD MET A 33 9.377 -13.559 -18.702 1.00 65.10 S ATOM 500 CE MET A 33 9.221 -14.382 -20.285 1.00 42.44 C ATOM 0 H MET A 33 7.721 -17.359 -16.380 1.00 40.14 H new ATOM 0 HA MET A 33 7.117 -14.695 -15.634 1.00 33.30 H new ATOM 0 HB2 MET A 33 7.366 -16.188 -18.260 1.00 14.30 H new ATOM 0 HB3 MET A 33 6.926 -14.492 -18.217 1.00 14.30 H new ATOM 0 HG2 MET A 33 9.155 -14.596 -16.555 1.00 71.30 H new ATOM 0 HG3 MET A 33 9.540 -15.770 -17.797 1.00 71.30 H new ATOM 0 HE1 MET A 33 10.025 -14.057 -20.945 1.00 42.44 H new ATOM 0 HE2 MET A 33 9.283 -15.461 -20.142 1.00 42.44 H new ATOM 0 HE3 MET A 33 8.260 -14.130 -20.733 1.00 42.44 H new ATOM 510 N THR A 34 4.702 -16.327 -17.218 1.00 25.24 N ATOM 511 CA THR A 34 3.262 -16.355 -17.439 1.00 43.12 C ATOM 512 C THR A 34 2.506 -16.488 -16.122 1.00 52.45 C ATOM 513 O THR A 34 1.330 -16.137 -16.033 1.00 41.23 O ATOM 514 CB THR A 34 2.859 -17.515 -18.369 1.00 1.10 C ATOM 515 OG1 THR A 34 3.526 -17.387 -19.630 1.00 12.33 O ATOM 516 CG2 THR A 34 1.354 -17.536 -18.586 1.00 35.53 C ATOM 0 H THR A 34 5.215 -17.073 -17.687 1.00 25.24 H new ATOM 0 HA THR A 34 2.997 -15.410 -17.913 1.00 43.12 H new ATOM 0 HB THR A 34 3.155 -18.451 -17.895 1.00 1.10 H new ATOM 0 HG1 THR A 34 4.292 -17.997 -19.658 1.00 12.33 H new ATOM 0 HG21 THR A 34 1.093 -18.363 -19.246 1.00 35.53 H new ATOM 0 HG22 THR A 34 0.850 -17.663 -17.628 1.00 35.53 H new ATOM 0 HG23 THR A 34 1.039 -16.597 -19.040 1.00 35.53 H new ATOM 524 N ASN A 35 3.189 -16.996 -15.102 1.00 13.23 N ATOM 525 CA ASN A 35 2.580 -17.175 -13.788 1.00 41.54 C ATOM 526 C ASN A 35 2.630 -15.879 -12.985 1.00 2.42 C ATOM 527 O ASN A 35 1.594 -15.317 -12.627 1.00 1.31 O ATOM 528 CB ASN A 35 3.291 -18.291 -13.021 1.00 63.25 C ATOM 529 CG ASN A 35 2.763 -19.667 -13.381 1.00 12.54 C ATOM 530 OD1 ASN A 35 1.643 -19.804 -13.872 1.00 74.43 O ATOM 531 ND2 ASN A 35 3.569 -20.693 -13.136 1.00 4.45 N ATOM 0 H ASN A 35 4.164 -17.291 -15.159 1.00 13.23 H new ATOM 0 HA ASN A 35 1.536 -17.452 -13.933 1.00 41.54 H new ATOM 0 HB2 ASN A 35 4.360 -18.249 -13.231 1.00 63.25 H new ATOM 0 HB3 ASN A 35 3.170 -18.127 -11.950 1.00 63.25 H new ATOM 0 HD21 ASN A 35 3.268 -21.642 -13.356 1.00 4.45 H new ATOM 0 HD22 ASN A 35 4.490 -20.532 -12.728 1.00 4.45 H new ATOM 538 N LEU A 36 3.841 -15.409 -12.705 1.00 31.12 N ATOM 539 CA LEU A 36 4.027 -14.179 -11.944 1.00 2.52 C ATOM 540 C LEU A 36 3.304 -13.012 -12.610 1.00 3.15 C ATOM 541 O LEU A 36 2.701 -13.166 -13.671 1.00 21.25 O ATOM 542 CB LEU A 36 5.517 -13.860 -11.809 1.00 1.24 C ATOM 543 CG LEU A 36 6.183 -14.306 -10.507 1.00 5.14 C ATOM 544 CD1 LEU A 36 6.316 -15.820 -10.467 1.00 25.43 C ATOM 545 CD2 LEU A 36 7.545 -13.645 -10.351 1.00 2.23 C ATOM 0 H LEU A 36 4.708 -15.861 -12.994 1.00 31.12 H new ATOM 0 HA LEU A 36 3.602 -14.327 -10.951 1.00 2.52 H new ATOM 0 HB2 LEU A 36 6.045 -14.325 -12.642 1.00 1.24 H new ATOM 0 HB3 LEU A 36 5.648 -12.783 -11.910 1.00 1.24 H new ATOM 0 HG LEU A 36 5.553 -13.995 -9.674 1.00 5.14 H new ATOM 0 HD11 LEU A 36 6.792 -16.119 -9.533 1.00 25.43 H new ATOM 0 HD12 LEU A 36 5.327 -16.274 -10.532 1.00 25.43 H new ATOM 0 HD13 LEU A 36 6.924 -16.154 -11.308 1.00 25.43 H new ATOM 0 HD21 LEU A 36 8.004 -13.974 -9.419 1.00 2.23 H new ATOM 0 HD22 LEU A 36 8.183 -13.925 -11.189 1.00 2.23 H new ATOM 0 HD23 LEU A 36 7.424 -12.562 -10.333 1.00 2.23 H new ATOM 557 N GLY A 37 3.372 -11.843 -11.979 1.00 72.12 N ATOM 558 CA GLY A 37 2.721 -10.667 -12.526 1.00 43.31 C ATOM 559 C GLY A 37 3.102 -10.413 -13.971 1.00 41.22 C ATOM 560 O GLY A 37 4.199 -9.932 -14.255 1.00 33.01 O ATOM 0 H GLY A 37 3.866 -11.690 -11.100 1.00 72.12 H new ATOM 0 HA2 GLY A 37 1.640 -10.787 -12.454 1.00 43.31 H new ATOM 0 HA3 GLY A 37 2.985 -9.797 -11.925 1.00 43.31 H new ATOM 564 N GLU A 38 2.195 -10.738 -14.887 1.00 33.13 N ATOM 565 CA GLU A 38 2.444 -10.544 -16.310 1.00 75.33 C ATOM 566 C GLU A 38 1.196 -10.863 -17.129 1.00 71.20 C ATOM 567 O GLU A 38 1.082 -11.940 -17.714 1.00 74.44 O ATOM 568 CB GLU A 38 3.608 -11.423 -16.772 1.00 30.24 C ATOM 569 CG GLU A 38 4.264 -10.941 -18.055 1.00 14.13 C ATOM 570 CD GLU A 38 5.002 -12.047 -18.784 1.00 11.41 C ATOM 571 OE1 GLU A 38 4.392 -13.109 -19.025 1.00 61.20 O ATOM 572 OE2 GLU A 38 6.190 -11.848 -19.114 1.00 21.55 O ATOM 0 H GLU A 38 1.282 -11.137 -14.669 1.00 33.13 H new ATOM 0 HA GLU A 38 2.704 -9.497 -16.467 1.00 75.33 H new ATOM 0 HB2 GLU A 38 4.359 -11.461 -15.983 1.00 30.24 H new ATOM 0 HB3 GLU A 38 3.247 -12.441 -16.919 1.00 30.24 H new ATOM 0 HG2 GLU A 38 3.502 -10.522 -18.713 1.00 14.13 H new ATOM 0 HG3 GLU A 38 4.961 -10.136 -17.822 1.00 14.13 H new ATOM 579 N LYS A 39 0.262 -9.919 -17.165 1.00 52.00 N ATOM 580 CA LYS A 39 -0.978 -10.097 -17.912 1.00 11.45 C ATOM 581 C LYS A 39 -0.780 -9.756 -19.385 1.00 3.51 C ATOM 582 O LYS A 39 -1.151 -8.672 -19.837 1.00 41.42 O ATOM 583 CB LYS A 39 -2.084 -9.221 -17.319 1.00 13.12 C ATOM 584 CG LYS A 39 -2.876 -9.904 -16.217 1.00 51.21 C ATOM 585 CD LYS A 39 -4.312 -10.163 -16.641 1.00 60.21 C ATOM 586 CE LYS A 39 -4.845 -11.457 -16.044 1.00 5.43 C ATOM 587 NZ LYS A 39 -6.303 -11.374 -15.752 1.00 64.14 N ATOM 0 H LYS A 39 0.340 -9.022 -16.685 1.00 52.00 H new ATOM 0 HA LYS A 39 -1.272 -11.144 -17.836 1.00 11.45 H new ATOM 0 HB2 LYS A 39 -1.640 -8.308 -16.923 1.00 13.12 H new ATOM 0 HB3 LYS A 39 -2.767 -8.924 -18.115 1.00 13.12 H new ATOM 0 HG2 LYS A 39 -2.397 -10.847 -15.955 1.00 51.21 H new ATOM 0 HG3 LYS A 39 -2.866 -9.282 -15.322 1.00 51.21 H new ATOM 0 HD2 LYS A 39 -4.941 -9.330 -16.327 1.00 60.21 H new ATOM 0 HD3 LYS A 39 -4.368 -10.213 -17.728 1.00 60.21 H new ATOM 0 HE2 LYS A 39 -4.659 -12.279 -16.735 1.00 5.43 H new ATOM 0 HE3 LYS A 39 -4.303 -11.684 -15.126 1.00 5.43 H new ATOM 0 HZ1 LYS A 39 -6.628 -12.275 -15.347 1.00 64.14 H new ATOM 0 HZ2 LYS A 39 -6.478 -10.606 -15.073 1.00 64.14 H new ATOM 0 HZ3 LYS A 39 -6.823 -11.183 -16.632 1.00 64.14 H new ATOM 601 N LEU A 40 -0.194 -10.687 -20.129 1.00 50.13 N ATOM 602 CA LEU A 40 0.052 -10.485 -21.553 1.00 62.51 C ATOM 603 C LEU A 40 -0.312 -11.733 -22.351 1.00 34.53 C ATOM 604 O LEU A 40 -0.476 -12.817 -21.789 1.00 63.42 O ATOM 605 CB LEU A 40 1.520 -10.125 -21.791 1.00 14.10 C ATOM 606 CG LEU A 40 2.117 -9.085 -20.843 1.00 3.31 C ATOM 607 CD1 LEU A 40 3.624 -8.996 -21.029 1.00 61.11 C ATOM 608 CD2 LEU A 40 1.470 -7.726 -21.065 1.00 52.35 C ATOM 0 H LEU A 40 0.120 -11.589 -19.771 1.00 50.13 H new ATOM 0 HA LEU A 40 -0.578 -9.662 -21.892 1.00 62.51 H new ATOM 0 HB2 LEU A 40 2.113 -11.036 -21.719 1.00 14.10 H new ATOM 0 HB3 LEU A 40 1.623 -9.758 -22.812 1.00 14.10 H new ATOM 0 HG LEU A 40 1.915 -9.398 -19.819 1.00 3.31 H new ATOM 0 HD11 LEU A 40 4.032 -8.251 -20.346 1.00 61.11 H new ATOM 0 HD12 LEU A 40 4.074 -9.966 -20.818 1.00 61.11 H new ATOM 0 HD13 LEU A 40 3.847 -8.707 -22.056 1.00 61.11 H new ATOM 0 HD21 LEU A 40 1.908 -6.999 -20.381 1.00 52.35 H new ATOM 0 HD22 LEU A 40 1.640 -7.406 -22.093 1.00 52.35 H new ATOM 0 HD23 LEU A 40 0.398 -7.799 -20.880 1.00 52.35 H new ATOM 620 N THR A 41 -0.437 -11.575 -23.665 1.00 2.53 N ATOM 621 CA THR A 41 -0.781 -12.688 -24.540 1.00 43.21 C ATOM 622 C THR A 41 0.445 -13.536 -24.859 1.00 4.31 C ATOM 623 O THR A 41 1.581 -13.086 -24.703 1.00 13.24 O ATOM 624 CB THR A 41 -1.406 -12.194 -25.858 1.00 42.44 C ATOM 625 OG1 THR A 41 -0.399 -11.599 -26.685 1.00 13.50 O ATOM 626 CG2 THR A 41 -2.510 -11.183 -25.588 1.00 51.11 C ATOM 0 H THR A 41 -0.305 -10.686 -24.147 1.00 2.53 H new ATOM 0 HA THR A 41 -1.511 -13.296 -24.006 1.00 43.21 H new ATOM 0 HB THR A 41 -1.839 -13.052 -26.373 1.00 42.44 H new ATOM 0 HG1 THR A 41 -0.804 -11.289 -27.522 1.00 13.50 H new ATOM 0 HG21 THR A 41 -2.936 -10.849 -26.534 1.00 51.11 H new ATOM 0 HG22 THR A 41 -3.289 -11.647 -24.983 1.00 51.11 H new ATOM 0 HG23 THR A 41 -2.097 -10.328 -25.053 1.00 51.11 H new ATOM 634 N ASP A 42 0.209 -14.764 -25.307 1.00 3.22 N ATOM 635 CA ASP A 42 1.295 -15.675 -25.650 1.00 4.44 C ATOM 636 C ASP A 42 2.267 -15.019 -26.626 1.00 54.14 C ATOM 637 O ASP A 42 3.469 -15.277 -26.587 1.00 60.15 O ATOM 638 CB ASP A 42 0.737 -16.964 -26.254 1.00 51.43 C ATOM 639 CG ASP A 42 0.239 -17.930 -25.198 1.00 22.41 C ATOM 640 OD1 ASP A 42 0.656 -17.797 -24.029 1.00 25.43 O ATOM 641 OD2 ASP A 42 -0.567 -18.821 -25.541 1.00 11.24 O ATOM 0 H ASP A 42 -0.725 -15.152 -25.441 1.00 3.22 H new ATOM 0 HA ASP A 42 1.836 -15.917 -24.735 1.00 4.44 H new ATOM 0 HB2 ASP A 42 -0.080 -16.720 -26.933 1.00 51.43 H new ATOM 0 HB3 ASP A 42 1.512 -17.448 -26.849 1.00 51.43 H new ATOM 646 N GLU A 43 1.735 -14.171 -27.502 1.00 5.13 N ATOM 647 CA GLU A 43 2.556 -13.480 -28.490 1.00 20.43 C ATOM 648 C GLU A 43 3.453 -12.442 -27.822 1.00 24.41 C ATOM 649 O GLU A 43 4.604 -12.256 -28.217 1.00 54.32 O ATOM 650 CB GLU A 43 1.670 -12.805 -29.539 1.00 22.41 C ATOM 651 CG GLU A 43 2.041 -13.162 -30.969 1.00 10.43 C ATOM 652 CD GLU A 43 1.292 -12.329 -31.991 1.00 12.55 C ATOM 653 OE1 GLU A 43 0.068 -12.531 -32.138 1.00 62.20 O ATOM 654 OE2 GLU A 43 1.928 -11.475 -32.643 1.00 2.25 O ATOM 0 H GLU A 43 0.741 -13.947 -27.547 1.00 5.13 H new ATOM 0 HA GLU A 43 3.189 -14.220 -28.981 1.00 20.43 H new ATOM 0 HB2 GLU A 43 0.632 -13.086 -29.361 1.00 22.41 H new ATOM 0 HB3 GLU A 43 1.734 -11.724 -29.415 1.00 22.41 H new ATOM 0 HG2 GLU A 43 3.113 -13.023 -31.108 1.00 10.43 H new ATOM 0 HG3 GLU A 43 1.831 -14.218 -31.142 1.00 10.43 H new ATOM 661 N GLU A 44 2.918 -11.770 -26.808 1.00 55.10 N ATOM 662 CA GLU A 44 3.669 -10.750 -26.087 1.00 3.25 C ATOM 663 C GLU A 44 4.776 -11.382 -25.247 1.00 10.41 C ATOM 664 O GLU A 44 5.851 -10.806 -25.082 1.00 45.44 O ATOM 665 CB GLU A 44 2.735 -9.935 -25.189 1.00 62.32 C ATOM 666 CG GLU A 44 2.602 -8.481 -25.609 1.00 64.24 C ATOM 667 CD GLU A 44 1.239 -8.164 -26.192 1.00 34.34 C ATOM 668 OE1 GLU A 44 1.007 -8.497 -27.373 1.00 12.11 O ATOM 669 OE2 GLU A 44 0.404 -7.584 -25.467 1.00 33.12 O ATOM 0 H GLU A 44 1.967 -11.914 -26.467 1.00 55.10 H new ATOM 0 HA GLU A 44 4.126 -10.086 -26.821 1.00 3.25 H new ATOM 0 HB2 GLU A 44 1.748 -10.397 -25.192 1.00 62.32 H new ATOM 0 HB3 GLU A 44 3.103 -9.976 -24.164 1.00 62.32 H new ATOM 0 HG2 GLU A 44 2.782 -7.840 -24.746 1.00 64.24 H new ATOM 0 HG3 GLU A 44 3.371 -8.248 -26.345 1.00 64.24 H new ATOM 676 N VAL A 45 4.504 -12.570 -24.717 1.00 54.02 N ATOM 677 CA VAL A 45 5.475 -13.281 -23.895 1.00 21.21 C ATOM 678 C VAL A 45 6.664 -13.748 -24.728 1.00 54.31 C ATOM 679 O VAL A 45 7.800 -13.762 -24.254 1.00 73.10 O ATOM 680 CB VAL A 45 4.838 -14.500 -23.202 1.00 22.34 C ATOM 681 CG1 VAL A 45 5.850 -15.191 -22.299 1.00 53.54 C ATOM 682 CG2 VAL A 45 3.607 -14.081 -22.413 1.00 53.00 C ATOM 0 H VAL A 45 3.618 -13.060 -24.842 1.00 54.02 H new ATOM 0 HA VAL A 45 5.820 -12.580 -23.136 1.00 21.21 H new ATOM 0 HB VAL A 45 4.526 -15.210 -23.968 1.00 22.34 H new ATOM 0 HG11 VAL A 45 5.382 -16.050 -21.818 1.00 53.54 H new ATOM 0 HG12 VAL A 45 6.699 -15.527 -22.894 1.00 53.54 H new ATOM 0 HG13 VAL A 45 6.195 -14.492 -21.537 1.00 53.54 H new ATOM 0 HG21 VAL A 45 3.170 -14.955 -21.930 1.00 53.00 H new ATOM 0 HG22 VAL A 45 3.892 -13.352 -21.655 1.00 53.00 H new ATOM 0 HG23 VAL A 45 2.876 -13.636 -23.088 1.00 53.00 H new ATOM 692 N ASP A 46 6.394 -14.128 -25.972 1.00 11.00 N ATOM 693 CA ASP A 46 7.442 -14.594 -26.873 1.00 55.12 C ATOM 694 C ASP A 46 8.564 -13.566 -26.979 1.00 22.53 C ATOM 695 O ASP A 46 9.741 -13.904 -26.851 1.00 15.15 O ATOM 696 CB ASP A 46 6.862 -14.878 -28.260 1.00 32.54 C ATOM 697 CG ASP A 46 7.884 -15.483 -29.202 1.00 4.41 C ATOM 698 OD1 ASP A 46 8.581 -14.712 -29.896 1.00 15.23 O ATOM 699 OD2 ASP A 46 7.989 -16.726 -29.245 1.00 2.02 O ATOM 0 H ASP A 46 5.459 -14.123 -26.379 1.00 11.00 H new ATOM 0 HA ASP A 46 7.855 -15.516 -26.464 1.00 55.12 H new ATOM 0 HB2 ASP A 46 6.014 -15.556 -28.164 1.00 32.54 H new ATOM 0 HB3 ASP A 46 6.481 -13.951 -28.688 1.00 32.54 H new ATOM 704 N GLU A 47 8.192 -12.312 -27.214 1.00 74.31 N ATOM 705 CA GLU A 47 9.168 -11.237 -27.339 1.00 2.43 C ATOM 706 C GLU A 47 9.827 -10.941 -25.994 1.00 72.22 C ATOM 707 O GLU A 47 10.958 -10.460 -25.938 1.00 11.32 O ATOM 708 CB GLU A 47 8.500 -9.971 -27.881 1.00 30.33 C ATOM 709 CG GLU A 47 8.399 -9.938 -29.396 1.00 74.14 C ATOM 710 CD GLU A 47 7.622 -8.738 -29.903 1.00 21.11 C ATOM 711 OE1 GLU A 47 6.386 -8.847 -30.043 1.00 1.42 O ATOM 712 OE2 GLU A 47 8.251 -7.690 -30.159 1.00 64.22 O ATOM 0 H GLU A 47 7.222 -12.016 -27.322 1.00 74.31 H new ATOM 0 HA GLU A 47 9.938 -11.561 -28.039 1.00 2.43 H new ATOM 0 HB2 GLU A 47 7.499 -9.888 -27.457 1.00 30.33 H new ATOM 0 HB3 GLU A 47 9.063 -9.100 -27.544 1.00 30.33 H new ATOM 0 HG2 GLU A 47 9.402 -9.924 -29.823 1.00 74.14 H new ATOM 0 HG3 GLU A 47 7.917 -10.852 -29.744 1.00 74.14 H new ATOM 719 N MET A 48 9.110 -11.233 -24.914 1.00 14.20 N ATOM 720 CA MET A 48 9.624 -10.999 -23.570 1.00 22.24 C ATOM 721 C MET A 48 10.851 -11.865 -23.299 1.00 14.12 C ATOM 722 O MET A 48 11.819 -11.411 -22.689 1.00 22.34 O ATOM 723 CB MET A 48 8.541 -11.289 -22.528 1.00 42.45 C ATOM 724 CG MET A 48 7.958 -10.036 -21.894 1.00 60.40 C ATOM 725 SD MET A 48 9.174 -9.113 -20.935 1.00 40.44 S ATOM 726 CE MET A 48 9.567 -10.300 -19.653 1.00 44.13 C ATOM 0 H MET A 48 8.172 -11.632 -24.943 1.00 14.20 H new ATOM 0 HA MET A 48 9.916 -9.951 -23.497 1.00 22.24 H new ATOM 0 HB2 MET A 48 7.738 -11.856 -22.999 1.00 42.45 H new ATOM 0 HB3 MET A 48 8.961 -11.921 -21.745 1.00 42.45 H new ATOM 0 HG2 MET A 48 7.553 -9.393 -22.675 1.00 60.40 H new ATOM 0 HG3 MET A 48 7.126 -10.314 -21.247 1.00 60.40 H new ATOM 0 HE1 MET A 48 10.060 -9.791 -18.825 1.00 44.13 H new ATOM 0 HE2 MET A 48 8.649 -10.768 -19.297 1.00 44.13 H new ATOM 0 HE3 MET A 48 10.231 -11.064 -20.056 1.00 44.13 H new ATOM 736 N ILE A 49 10.802 -13.112 -23.756 1.00 13.44 N ATOM 737 CA ILE A 49 11.909 -14.039 -23.563 1.00 23.33 C ATOM 738 C ILE A 49 13.122 -13.628 -24.391 1.00 75.04 C ATOM 739 O ILE A 49 14.257 -13.971 -24.062 1.00 31.32 O ATOM 740 CB ILE A 49 11.510 -15.479 -23.937 1.00 52.24 C ATOM 741 CG1 ILE A 49 10.220 -15.877 -23.217 1.00 22.30 C ATOM 742 CG2 ILE A 49 12.634 -16.446 -23.597 1.00 52.00 C ATOM 743 CD1 ILE A 49 9.734 -17.265 -23.571 1.00 63.34 C ATOM 0 H ILE A 49 10.007 -13.503 -24.262 1.00 13.44 H new ATOM 0 HA ILE A 49 12.167 -14.006 -22.504 1.00 23.33 H new ATOM 0 HB ILE A 49 11.332 -15.524 -25.012 1.00 52.24 H new ATOM 0 HG12 ILE A 49 10.382 -15.821 -22.141 1.00 22.30 H new ATOM 0 HG13 ILE A 49 9.440 -15.155 -23.460 1.00 22.30 H new ATOM 0 HG21 ILE A 49 12.336 -17.459 -23.867 1.00 52.00 H new ATOM 0 HG22 ILE A 49 13.531 -16.171 -24.152 1.00 52.00 H new ATOM 0 HG23 ILE A 49 12.841 -16.402 -22.528 1.00 52.00 H new ATOM 0 HD11 ILE A 49 8.816 -17.480 -23.024 1.00 63.34 H new ATOM 0 HD12 ILE A 49 9.539 -17.320 -24.642 1.00 63.34 H new ATOM 0 HD13 ILE A 49 10.496 -17.997 -23.302 1.00 63.34 H new ATOM 755 N ARG A 50 12.873 -12.889 -25.468 1.00 35.33 N ATOM 756 CA ARG A 50 13.944 -12.430 -26.344 1.00 33.13 C ATOM 757 C ARG A 50 14.930 -11.550 -25.581 1.00 52.04 C ATOM 758 O ARG A 50 16.142 -11.659 -25.763 1.00 51.35 O ATOM 759 CB ARG A 50 13.365 -11.657 -27.530 1.00 40.21 C ATOM 760 CG ARG A 50 12.351 -12.450 -28.338 1.00 14.13 C ATOM 761 CD ARG A 50 13.026 -13.514 -29.188 1.00 74.53 C ATOM 762 NE ARG A 50 13.769 -12.934 -30.304 1.00 33.04 N ATOM 763 CZ ARG A 50 14.418 -13.657 -31.210 1.00 12.34 C ATOM 764 NH1 ARG A 50 14.415 -14.980 -31.133 1.00 31.43 N ATOM 765 NH2 ARG A 50 15.071 -13.055 -32.195 1.00 64.55 N ATOM 0 H ARG A 50 11.939 -12.596 -25.754 1.00 35.33 H new ATOM 0 HA ARG A 50 14.477 -13.305 -26.715 1.00 33.13 H new ATOM 0 HB2 ARG A 50 12.892 -10.746 -27.163 1.00 40.21 H new ATOM 0 HB3 ARG A 50 14.180 -11.351 -28.186 1.00 40.21 H new ATOM 0 HG2 ARG A 50 11.635 -12.921 -27.664 1.00 14.13 H new ATOM 0 HG3 ARG A 50 11.787 -11.774 -28.980 1.00 14.13 H new ATOM 0 HD2 ARG A 50 13.704 -14.098 -28.566 1.00 74.53 H new ATOM 0 HD3 ARG A 50 12.273 -14.202 -29.572 1.00 74.53 H new ATOM 0 HE ARG A 50 13.791 -11.918 -30.392 1.00 33.04 H new ATOM 0 HH11 ARG A 50 13.913 -15.446 -30.377 1.00 31.43 H new ATOM 0 HH12 ARG A 50 14.914 -15.533 -31.830 1.00 31.43 H new ATOM 0 HH21 ARG A 50 15.075 -12.037 -32.257 1.00 64.55 H new ATOM 0 HH22 ARG A 50 15.569 -13.610 -32.891 1.00 64.55 H new ATOM 779 N GLU A 51 14.401 -10.679 -24.728 1.00 55.42 N ATOM 780 CA GLU A 51 15.235 -9.779 -23.940 1.00 32.31 C ATOM 781 C GLU A 51 15.884 -10.521 -22.775 1.00 1.32 C ATOM 782 O GLU A 51 17.108 -10.552 -22.650 1.00 71.11 O ATOM 783 CB GLU A 51 14.404 -8.607 -23.413 1.00 71.33 C ATOM 784 CG GLU A 51 13.772 -7.768 -24.511 1.00 11.43 C ATOM 785 CD GLU A 51 13.165 -6.481 -23.985 1.00 25.11 C ATOM 786 OE1 GLU A 51 12.126 -6.552 -23.296 1.00 64.42 O ATOM 787 OE2 GLU A 51 13.731 -5.403 -24.262 1.00 40.33 O ATOM 0 H GLU A 51 13.399 -10.577 -24.565 1.00 55.42 H new ATOM 0 HA GLU A 51 16.022 -9.394 -24.588 1.00 32.31 H new ATOM 0 HB2 GLU A 51 13.618 -8.993 -22.764 1.00 71.33 H new ATOM 0 HB3 GLU A 51 15.040 -7.968 -22.799 1.00 71.33 H new ATOM 0 HG2 GLU A 51 14.526 -7.530 -25.261 1.00 11.43 H new ATOM 0 HG3 GLU A 51 12.999 -8.352 -25.011 1.00 11.43 H new ATOM 794 N ALA A 52 15.055 -11.116 -21.924 1.00 15.31 N ATOM 795 CA ALA A 52 15.547 -11.858 -20.770 1.00 13.10 C ATOM 796 C ALA A 52 16.597 -12.883 -21.184 1.00 2.12 C ATOM 797 O ALA A 52 17.547 -13.145 -20.446 1.00 32.45 O ATOM 798 CB ALA A 52 14.393 -12.542 -20.051 1.00 62.25 C ATOM 0 H ALA A 52 14.039 -11.099 -22.012 1.00 15.31 H new ATOM 0 HA ALA A 52 16.017 -11.150 -20.087 1.00 13.10 H new ATOM 0 HB1 ALA A 52 14.775 -13.092 -19.191 1.00 62.25 H new ATOM 0 HB2 ALA A 52 13.679 -11.791 -19.713 1.00 62.25 H new ATOM 0 HB3 ALA A 52 13.898 -13.233 -20.733 1.00 62.25 H new ATOM 804 N ASP A 53 16.420 -13.459 -22.367 1.00 63.35 N ATOM 805 CA ASP A 53 17.354 -14.456 -22.880 1.00 13.22 C ATOM 806 C ASP A 53 18.321 -13.831 -23.880 1.00 4.33 C ATOM 807 O ASP A 53 17.984 -13.641 -25.049 1.00 24.12 O ATOM 808 CB ASP A 53 16.593 -15.607 -23.539 1.00 73.11 C ATOM 809 CG ASP A 53 17.404 -16.887 -23.583 1.00 72.20 C ATOM 810 OD1 ASP A 53 18.644 -16.800 -23.695 1.00 42.53 O ATOM 811 OD2 ASP A 53 16.798 -17.977 -23.506 1.00 10.20 O ATOM 0 H ASP A 53 15.639 -13.253 -22.990 1.00 63.35 H new ATOM 0 HA ASP A 53 17.929 -14.845 -22.040 1.00 13.22 H new ATOM 0 HB2 ASP A 53 15.667 -15.786 -22.993 1.00 73.11 H new ATOM 0 HB3 ASP A 53 16.315 -15.321 -24.554 1.00 73.11 H new ATOM 816 N ILE A 54 19.523 -13.512 -23.412 1.00 4.11 N ATOM 817 CA ILE A 54 20.539 -12.908 -24.265 1.00 63.12 C ATOM 818 C ILE A 54 21.771 -13.802 -24.371 1.00 15.44 C ATOM 819 O ILE A 54 21.812 -14.889 -23.795 1.00 60.22 O ATOM 820 CB ILE A 54 20.966 -11.525 -23.740 1.00 2.30 C ATOM 821 CG1 ILE A 54 21.530 -11.645 -22.323 1.00 25.02 C ATOM 822 CG2 ILE A 54 19.789 -10.561 -23.767 1.00 71.52 C ATOM 823 CD1 ILE A 54 22.109 -10.352 -21.791 1.00 34.30 C ATOM 0 H ILE A 54 19.817 -13.662 -22.447 1.00 4.11 H new ATOM 0 HA ILE A 54 20.092 -12.790 -25.252 1.00 63.12 H new ATOM 0 HB ILE A 54 21.748 -11.132 -24.390 1.00 2.30 H new ATOM 0 HG12 ILE A 54 20.739 -11.982 -21.653 1.00 25.02 H new ATOM 0 HG13 ILE A 54 22.305 -12.412 -22.313 1.00 25.02 H new ATOM 0 HG21 ILE A 54 20.107 -9.588 -23.393 1.00 71.52 H new ATOM 0 HG22 ILE A 54 19.428 -10.456 -24.790 1.00 71.52 H new ATOM 0 HG23 ILE A 54 18.988 -10.948 -23.137 1.00 71.52 H new ATOM 0 HD11 ILE A 54 22.490 -10.512 -20.782 1.00 34.30 H new ATOM 0 HD12 ILE A 54 22.922 -10.024 -22.438 1.00 34.30 H new ATOM 0 HD13 ILE A 54 21.332 -9.588 -21.769 1.00 34.30 H new ATOM 835 N ASP A 55 22.772 -13.335 -25.108 1.00 1.52 N ATOM 836 CA ASP A 55 24.007 -14.090 -25.287 1.00 12.34 C ATOM 837 C ASP A 55 23.715 -15.494 -25.807 1.00 14.34 C ATOM 838 O ASP A 55 24.422 -16.447 -25.482 1.00 13.40 O ATOM 839 CB ASP A 55 24.776 -14.171 -23.967 1.00 14.11 C ATOM 840 CG ASP A 55 26.249 -14.464 -24.172 1.00 51.33 C ATOM 841 OD1 ASP A 55 26.622 -14.868 -25.293 1.00 44.52 O ATOM 842 OD2 ASP A 55 27.028 -14.290 -23.212 1.00 3.22 O ATOM 0 H ASP A 55 22.753 -12.437 -25.591 1.00 1.52 H new ATOM 0 HA ASP A 55 24.619 -13.569 -26.024 1.00 12.34 H new ATOM 0 HB2 ASP A 55 24.667 -13.230 -23.428 1.00 14.11 H new ATOM 0 HB3 ASP A 55 24.338 -14.949 -23.342 1.00 14.11 H new ATOM 847 N GLY A 56 22.666 -15.614 -26.616 1.00 1.44 N ATOM 848 CA GLY A 56 22.298 -16.905 -27.166 1.00 51.24 C ATOM 849 C GLY A 56 20.985 -17.420 -26.610 1.00 4.32 C ATOM 850 O GLY A 56 20.931 -17.907 -25.481 1.00 33.04 O ATOM 0 H GLY A 56 22.065 -14.840 -26.900 1.00 1.44 H new ATOM 0 HA2 GLY A 56 22.224 -16.826 -28.251 1.00 51.24 H new ATOM 0 HA3 GLY A 56 23.087 -17.626 -26.952 1.00 51.24 H new ATOM 854 N ASP A 57 19.925 -17.310 -27.403 1.00 21.44 N ATOM 855 CA ASP A 57 18.606 -17.768 -26.982 1.00 72.45 C ATOM 856 C ASP A 57 18.641 -19.243 -26.594 1.00 31.04 C ATOM 857 O ASP A 57 18.644 -20.122 -27.454 1.00 32.52 O ATOM 858 CB ASP A 57 17.586 -17.547 -28.100 1.00 72.14 C ATOM 859 CG ASP A 57 16.176 -17.913 -27.679 1.00 2.33 C ATOM 860 OD1 ASP A 57 15.606 -17.194 -26.832 1.00 34.32 O ATOM 861 OD2 ASP A 57 15.644 -18.918 -28.195 1.00 10.10 O ATOM 0 H ASP A 57 19.953 -16.908 -28.340 1.00 21.44 H new ATOM 0 HA ASP A 57 18.309 -17.188 -26.108 1.00 72.45 H new ATOM 0 HB2 ASP A 57 17.610 -16.502 -28.408 1.00 72.14 H new ATOM 0 HB3 ASP A 57 17.869 -18.142 -28.968 1.00 72.14 H new ATOM 866 N GLY A 58 18.669 -19.506 -25.290 1.00 54.14 N ATOM 867 CA GLY A 58 18.704 -20.875 -24.810 1.00 45.14 C ATOM 868 C GLY A 58 18.364 -20.982 -23.337 1.00 52.13 C ATOM 869 O GLY A 58 17.360 -21.591 -22.969 1.00 60.42 O ATOM 0 H GLY A 58 18.668 -18.795 -24.558 1.00 54.14 H new ATOM 0 HA2 GLY A 58 18.001 -21.477 -25.386 1.00 45.14 H new ATOM 0 HA3 GLY A 58 19.696 -21.292 -24.982 1.00 45.14 H new ATOM 873 N GLN A 59 19.202 -20.390 -22.493 1.00 41.50 N ATOM 874 CA GLN A 59 18.985 -20.424 -21.052 1.00 11.34 C ATOM 875 C GLN A 59 19.035 -19.019 -20.460 1.00 53.21 C ATOM 876 O GLN A 59 19.817 -18.176 -20.900 1.00 24.33 O ATOM 877 CB GLN A 59 20.033 -21.311 -20.378 1.00 32.15 C ATOM 878 CG GLN A 59 19.983 -22.762 -20.829 1.00 14.13 C ATOM 879 CD GLN A 59 21.149 -23.136 -21.722 1.00 51.11 C ATOM 880 OE1 GLN A 59 22.226 -23.490 -21.241 1.00 52.41 O ATOM 881 NE2 GLN A 59 20.940 -23.060 -23.031 1.00 43.13 N ATOM 0 H GLN A 59 20.037 -19.881 -22.782 1.00 41.50 H new ATOM 0 HA GLN A 59 17.994 -20.840 -20.869 1.00 11.34 H new ATOM 0 HB2 GLN A 59 21.025 -20.909 -20.585 1.00 32.15 H new ATOM 0 HB3 GLN A 59 19.891 -21.270 -19.298 1.00 32.15 H new ATOM 0 HG2 GLN A 59 19.978 -23.411 -19.953 1.00 14.13 H new ATOM 0 HG3 GLN A 59 19.050 -22.941 -21.363 1.00 14.13 H new ATOM 0 HE21 GLN A 59 20.031 -22.762 -23.386 1.00 43.13 H new ATOM 0 HE22 GLN A 59 21.688 -23.300 -23.682 1.00 43.13 H new ATOM 890 N VAL A 60 18.194 -18.773 -19.461 1.00 13.44 N ATOM 891 CA VAL A 60 18.142 -17.470 -18.808 1.00 42.21 C ATOM 892 C VAL A 60 18.996 -17.454 -17.545 1.00 14.21 C ATOM 893 O VAL A 60 19.013 -18.420 -16.783 1.00 53.51 O ATOM 894 CB VAL A 60 16.697 -17.082 -18.443 1.00 41.41 C ATOM 895 CG1 VAL A 60 16.645 -15.657 -17.912 1.00 75.13 C ATOM 896 CG2 VAL A 60 15.782 -17.245 -19.647 1.00 52.32 C ATOM 0 H VAL A 60 17.539 -19.459 -19.086 1.00 13.44 H new ATOM 0 HA VAL A 60 18.536 -16.744 -19.519 1.00 42.21 H new ATOM 0 HB VAL A 60 16.347 -17.750 -17.656 1.00 41.41 H new ATOM 0 HG11 VAL A 60 15.616 -15.400 -17.659 1.00 75.13 H new ATOM 0 HG12 VAL A 60 17.268 -15.578 -17.021 1.00 75.13 H new ATOM 0 HG13 VAL A 60 17.013 -14.971 -18.675 1.00 75.13 H new ATOM 0 HG21 VAL A 60 14.765 -16.967 -19.371 1.00 52.32 H new ATOM 0 HG22 VAL A 60 16.128 -16.602 -20.456 1.00 52.32 H new ATOM 0 HG23 VAL A 60 15.797 -18.284 -19.977 1.00 52.32 H new ATOM 906 N ASN A 61 19.703 -16.349 -17.329 1.00 33.30 N ATOM 907 CA ASN A 61 20.559 -16.207 -16.157 1.00 42.12 C ATOM 908 C ASN A 61 19.752 -15.753 -14.945 1.00 34.10 C ATOM 909 O ASN A 61 18.945 -14.827 -15.034 1.00 61.25 O ATOM 910 CB ASN A 61 21.682 -15.207 -16.439 1.00 64.02 C ATOM 911 CG ASN A 61 22.710 -15.163 -15.325 1.00 65.02 C ATOM 912 OD1 ASN A 61 22.661 -15.959 -14.388 1.00 34.34 O ATOM 913 ND2 ASN A 61 23.649 -14.229 -15.423 1.00 64.03 N ATOM 0 H ASN A 61 19.700 -15.540 -17.950 1.00 33.30 H new ATOM 0 HA ASN A 61 20.995 -17.181 -15.936 1.00 42.12 H new ATOM 0 HB2 ASN A 61 22.175 -15.473 -17.374 1.00 64.02 H new ATOM 0 HB3 ASN A 61 21.255 -14.214 -16.575 1.00 64.02 H new ATOM 0 HD21 ASN A 61 24.368 -14.151 -14.704 1.00 64.03 H new ATOM 0 HD22 ASN A 61 23.651 -13.590 -16.218 1.00 64.03 H new ATOM 920 N TYR A 62 19.975 -16.411 -13.813 1.00 14.13 N ATOM 921 CA TYR A 62 19.267 -16.077 -12.583 1.00 12.24 C ATOM 922 C TYR A 62 19.384 -14.587 -12.274 1.00 31.30 C ATOM 923 O TYR A 62 18.493 -13.997 -11.664 1.00 72.33 O ATOM 924 CB TYR A 62 19.818 -16.896 -11.414 1.00 15.10 C ATOM 925 CG TYR A 62 19.378 -16.389 -10.059 1.00 32.20 C ATOM 926 CD1 TYR A 62 18.030 -16.285 -9.739 1.00 13.42 C ATOM 927 CD2 TYR A 62 20.310 -16.014 -9.099 1.00 71.15 C ATOM 928 CE1 TYR A 62 17.623 -15.822 -8.502 1.00 41.43 C ATOM 929 CE2 TYR A 62 19.912 -15.551 -7.860 1.00 65.40 C ATOM 930 CZ TYR A 62 18.568 -15.457 -7.566 1.00 42.33 C ATOM 931 OH TYR A 62 18.168 -14.995 -6.333 1.00 42.12 O ATOM 0 H TYR A 62 20.640 -17.179 -13.722 1.00 14.13 H new ATOM 0 HA TYR A 62 18.214 -16.319 -12.723 1.00 12.24 H new ATOM 0 HB2 TYR A 62 19.500 -17.933 -11.526 1.00 15.10 H new ATOM 0 HB3 TYR A 62 20.907 -16.890 -11.459 1.00 15.10 H new ATOM 0 HD1 TYR A 62 17.288 -16.571 -10.469 1.00 13.42 H new ATOM 0 HD2 TYR A 62 21.364 -16.086 -9.325 1.00 71.15 H new ATOM 0 HE1 TYR A 62 16.571 -15.746 -8.270 1.00 41.43 H new ATOM 0 HE2 TYR A 62 20.650 -15.264 -7.125 1.00 65.40 H new ATOM 0 HH TYR A 62 18.957 -14.782 -5.792 1.00 42.12 H new ATOM 941 N GLU A 63 20.490 -13.986 -12.701 1.00 22.41 N ATOM 942 CA GLU A 63 20.725 -12.566 -12.470 1.00 54.23 C ATOM 943 C GLU A 63 19.789 -11.714 -13.324 1.00 21.40 C ATOM 944 O GLU A 63 19.174 -10.767 -12.834 1.00 31.32 O ATOM 945 CB GLU A 63 22.180 -12.210 -12.779 1.00 43.42 C ATOM 946 CG GLU A 63 23.149 -12.595 -11.673 1.00 52.55 C ATOM 947 CD GLU A 63 24.307 -11.624 -11.549 1.00 1.15 C ATOM 948 OE1 GLU A 63 24.563 -10.877 -12.516 1.00 1.12 O ATOM 949 OE2 GLU A 63 24.958 -11.611 -10.482 1.00 75.53 O ATOM 0 H GLU A 63 21.237 -14.460 -13.208 1.00 22.41 H new ATOM 0 HA GLU A 63 20.523 -12.357 -11.420 1.00 54.23 H new ATOM 0 HB2 GLU A 63 22.479 -12.707 -13.702 1.00 43.42 H new ATOM 0 HB3 GLU A 63 22.253 -11.137 -12.957 1.00 43.42 H new ATOM 0 HG2 GLU A 63 22.613 -12.639 -10.725 1.00 52.55 H new ATOM 0 HG3 GLU A 63 23.537 -13.595 -11.867 1.00 52.55 H new ATOM 956 N ASP A 64 19.688 -12.058 -14.603 1.00 60.40 N ATOM 957 CA ASP A 64 18.828 -11.327 -15.526 1.00 12.01 C ATOM 958 C ASP A 64 17.416 -11.196 -14.964 1.00 54.31 C ATOM 959 O ASP A 64 16.894 -10.090 -14.820 1.00 52.13 O ATOM 960 CB ASP A 64 18.787 -12.030 -16.884 1.00 14.52 C ATOM 961 CG ASP A 64 19.458 -11.219 -17.975 1.00 74.35 C ATOM 962 OD1 ASP A 64 20.695 -11.056 -17.918 1.00 54.14 O ATOM 963 OD2 ASP A 64 18.746 -10.749 -18.887 1.00 71.24 O ATOM 0 H ASP A 64 20.191 -12.839 -15.024 1.00 60.40 H new ATOM 0 HA ASP A 64 19.242 -10.327 -15.656 1.00 12.01 H new ATOM 0 HB2 ASP A 64 19.277 -13.000 -16.803 1.00 14.52 H new ATOM 0 HB3 ASP A 64 17.750 -12.219 -17.161 1.00 14.52 H new ATOM 968 N PHE A 65 16.802 -12.331 -14.649 1.00 74.41 N ATOM 969 CA PHE A 65 15.449 -12.344 -14.105 1.00 53.30 C ATOM 970 C PHE A 65 15.336 -11.408 -12.905 1.00 45.53 C ATOM 971 O PHE A 65 14.510 -10.495 -12.890 1.00 72.45 O ATOM 972 CB PHE A 65 15.053 -13.764 -13.696 1.00 65.35 C ATOM 973 CG PHE A 65 13.570 -14.000 -13.706 1.00 1.12 C ATOM 974 CD1 PHE A 65 12.889 -14.165 -14.901 1.00 50.20 C ATOM 975 CD2 PHE A 65 12.857 -14.056 -12.519 1.00 52.22 C ATOM 976 CE1 PHE A 65 11.524 -14.382 -14.913 1.00 70.22 C ATOM 977 CE2 PHE A 65 11.492 -14.273 -12.525 1.00 71.21 C ATOM 978 CZ PHE A 65 10.824 -14.435 -13.724 1.00 25.45 C ATOM 0 H PHE A 65 17.220 -13.255 -14.761 1.00 74.41 H new ATOM 0 HA PHE A 65 14.770 -11.995 -14.882 1.00 53.30 H new ATOM 0 HB2 PHE A 65 15.530 -14.474 -14.371 1.00 65.35 H new ATOM 0 HB3 PHE A 65 15.438 -13.966 -12.697 1.00 65.35 H new ATOM 0 HD1 PHE A 65 13.431 -14.124 -15.834 1.00 50.20 H new ATOM 0 HD2 PHE A 65 13.374 -13.929 -11.579 1.00 52.22 H new ATOM 0 HE1 PHE A 65 11.005 -14.510 -15.852 1.00 70.22 H new ATOM 0 HE2 PHE A 65 10.948 -14.316 -11.593 1.00 71.21 H new ATOM 0 HZ PHE A 65 9.757 -14.603 -13.731 1.00 25.45 H new ATOM 988 N VAL A 66 16.174 -11.641 -11.900 1.00 1.22 N ATOM 989 CA VAL A 66 16.170 -10.819 -10.695 1.00 64.14 C ATOM 990 C VAL A 66 16.395 -9.349 -11.032 1.00 63.31 C ATOM 991 O VAL A 66 15.970 -8.462 -10.293 1.00 43.33 O ATOM 992 CB VAL A 66 17.252 -11.278 -9.700 1.00 4.33 C ATOM 993 CG1 VAL A 66 17.245 -10.396 -8.460 1.00 24.50 C ATOM 994 CG2 VAL A 66 17.048 -12.738 -9.327 1.00 31.31 C ATOM 0 H VAL A 66 16.864 -12.392 -11.896 1.00 1.22 H new ATOM 0 HA VAL A 66 15.189 -10.937 -10.234 1.00 64.14 H new ATOM 0 HB VAL A 66 18.226 -11.183 -10.179 1.00 4.33 H new ATOM 0 HG11 VAL A 66 18.016 -10.735 -7.768 1.00 24.50 H new ATOM 0 HG12 VAL A 66 17.444 -9.363 -8.747 1.00 24.50 H new ATOM 0 HG13 VAL A 66 16.270 -10.457 -7.976 1.00 24.50 H new ATOM 0 HG21 VAL A 66 17.822 -13.045 -8.623 1.00 31.31 H new ATOM 0 HG22 VAL A 66 16.068 -12.862 -8.866 1.00 31.31 H new ATOM 0 HG23 VAL A 66 17.108 -13.354 -10.224 1.00 31.31 H new ATOM 1004 N GLN A 67 17.066 -9.100 -12.152 1.00 72.54 N ATOM 1005 CA GLN A 67 17.347 -7.737 -12.587 1.00 23.42 C ATOM 1006 C GLN A 67 16.061 -7.010 -12.966 1.00 23.32 C ATOM 1007 O GLN A 67 15.773 -5.931 -12.450 1.00 55.34 O ATOM 1008 CB GLN A 67 18.311 -7.747 -13.775 1.00 12.11 C ATOM 1009 CG GLN A 67 19.346 -6.635 -13.727 1.00 63.04 C ATOM 1010 CD GLN A 67 20.149 -6.530 -15.009 1.00 52.32 C ATOM 1011 OE1 GLN A 67 20.336 -5.440 -15.550 1.00 50.52 O ATOM 1012 NE2 GLN A 67 20.628 -7.665 -15.503 1.00 25.43 N ATOM 0 H GLN A 67 17.425 -9.824 -12.774 1.00 72.54 H new ATOM 0 HA GLN A 67 17.811 -7.206 -11.756 1.00 23.42 H new ATOM 0 HB2 GLN A 67 18.824 -8.708 -13.808 1.00 12.11 H new ATOM 0 HB3 GLN A 67 17.738 -7.659 -14.698 1.00 12.11 H new ATOM 0 HG2 GLN A 67 18.845 -5.686 -13.538 1.00 63.04 H new ATOM 0 HG3 GLN A 67 20.024 -6.810 -12.891 1.00 63.04 H new ATOM 0 HE21 GLN A 67 20.449 -8.546 -15.022 1.00 25.43 H new ATOM 0 HE22 GLN A 67 21.175 -7.656 -16.364 1.00 25.43 H new ATOM 1021 N MET A 68 15.293 -7.609 -13.870 1.00 22.31 N ATOM 1022 CA MET A 68 14.037 -7.018 -14.317 1.00 62.30 C ATOM 1023 C MET A 68 13.067 -6.857 -13.151 1.00 51.21 C ATOM 1024 O MET A 68 12.338 -5.869 -13.071 1.00 54.21 O ATOM 1025 CB MET A 68 13.402 -7.882 -15.408 1.00 62.42 C ATOM 1026 CG MET A 68 13.182 -7.143 -16.718 1.00 11.32 C ATOM 1027 SD MET A 68 13.947 -7.974 -18.123 1.00 24.44 S ATOM 1028 CE MET A 68 13.589 -6.814 -19.439 1.00 60.23 C ATOM 0 H MET A 68 15.518 -8.503 -14.307 1.00 22.31 H new ATOM 0 HA MET A 68 14.254 -6.031 -14.725 1.00 62.30 H new ATOM 0 HB2 MET A 68 14.039 -8.747 -15.591 1.00 62.42 H new ATOM 0 HB3 MET A 68 12.445 -8.261 -15.049 1.00 62.42 H new ATOM 0 HG2 MET A 68 12.112 -7.043 -16.899 1.00 11.32 H new ATOM 0 HG3 MET A 68 13.586 -6.134 -16.634 1.00 11.32 H new ATOM 0 HE1 MET A 68 14.000 -7.189 -20.376 1.00 60.23 H new ATOM 0 HE2 MET A 68 12.510 -6.697 -19.537 1.00 60.23 H new ATOM 0 HE3 MET A 68 14.039 -5.849 -19.206 1.00 60.23 H new ATOM 1038 N MET A 69 13.064 -7.834 -12.250 1.00 52.30 N ATOM 1039 CA MET A 69 12.183 -7.798 -11.088 1.00 62.21 C ATOM 1040 C MET A 69 12.333 -6.481 -10.333 1.00 34.43 C ATOM 1041 O MET A 69 11.358 -5.938 -9.811 1.00 61.33 O ATOM 1042 CB MET A 69 12.487 -8.972 -10.155 1.00 72.13 C ATOM 1043 CG MET A 69 11.696 -8.937 -8.857 1.00 63.24 C ATOM 1044 SD MET A 69 12.634 -8.226 -7.492 1.00 3.52 S ATOM 1045 CE MET A 69 11.472 -7.007 -6.882 1.00 0.14 C ATOM 0 H MET A 69 13.661 -8.659 -12.302 1.00 52.30 H new ATOM 0 HA MET A 69 11.155 -7.879 -11.440 1.00 62.21 H new ATOM 0 HB2 MET A 69 12.273 -9.905 -10.676 1.00 72.13 H new ATOM 0 HB3 MET A 69 13.552 -8.974 -9.922 1.00 72.13 H new ATOM 0 HG2 MET A 69 10.785 -8.358 -9.007 1.00 63.24 H new ATOM 0 HG3 MET A 69 11.391 -9.950 -8.594 1.00 63.24 H new ATOM 0 HE1 MET A 69 11.558 -6.933 -5.798 1.00 0.14 H new ATOM 0 HE2 MET A 69 11.692 -6.038 -7.331 1.00 0.14 H new ATOM 0 HE3 MET A 69 10.458 -7.307 -7.145 1.00 0.14 H new ATOM 1055 N THR A 70 13.559 -5.972 -10.277 1.00 24.12 N ATOM 1056 CA THR A 70 13.836 -4.720 -9.584 1.00 24.20 C ATOM 1057 C THR A 70 13.356 -3.524 -10.397 1.00 51.23 C ATOM 1058 O THR A 70 12.375 -2.872 -10.040 1.00 3.12 O ATOM 1059 CB THR A 70 15.341 -4.559 -9.295 1.00 32.12 C ATOM 1060 OG1 THR A 70 15.817 -5.677 -8.537 1.00 74.34 O ATOM 1061 CG2 THR A 70 15.610 -3.271 -8.531 1.00 61.40 C ATOM 0 H THR A 70 14.377 -6.408 -10.703 1.00 24.12 H new ATOM 0 HA THR A 70 13.294 -4.755 -8.639 1.00 24.20 H new ATOM 0 HB THR A 70 15.869 -4.515 -10.248 1.00 32.12 H new ATOM 0 HG1 THR A 70 15.824 -6.477 -9.103 1.00 74.34 H new ATOM 0 HG21 THR A 70 16.679 -3.179 -8.338 1.00 61.40 H new ATOM 0 HG22 THR A 70 15.273 -2.420 -9.123 1.00 61.40 H new ATOM 0 HG23 THR A 70 15.071 -3.290 -7.584 1.00 61.40 H new ATOM 1069 N ALA A 71 14.052 -3.241 -11.493 1.00 44.02 N ATOM 1070 CA ALA A 71 13.695 -2.124 -12.359 1.00 35.22 C ATOM 1071 C ALA A 71 14.448 -2.192 -13.683 1.00 22.23 C ATOM 1072 O ALA A 71 13.844 -2.163 -14.755 1.00 44.53 O ATOM 1073 CB ALA A 71 13.973 -0.803 -11.658 1.00 3.21 C ATOM 0 H ALA A 71 14.867 -3.770 -11.803 1.00 44.02 H new ATOM 0 HA ALA A 71 12.629 -2.191 -12.575 1.00 35.22 H new ATOM 0 HB1 ALA A 71 13.702 0.022 -12.316 1.00 3.21 H new ATOM 0 HB2 ALA A 71 13.384 -0.746 -10.743 1.00 3.21 H new ATOM 0 HB3 ALA A 71 15.033 -0.738 -11.412 1.00 3.21 H new ATOM 1079 N LYS A 72 15.771 -2.283 -13.601 1.00 3.01 N ATOM 1080 CA LYS A 72 16.609 -2.356 -14.792 1.00 52.12 C ATOM 1081 C LYS A 72 16.650 -3.778 -15.342 1.00 62.11 C ATOM 1082 O LYS A 72 16.654 -3.952 -16.560 1.00 34.43 O ATOM 1083 CB LYS A 72 18.028 -1.880 -14.473 1.00 53.41 C ATOM 1084 CG LYS A 72 18.319 -0.470 -14.957 1.00 45.14 C ATOM 1085 CD LYS A 72 19.670 -0.386 -15.649 1.00 31.11 C ATOM 1086 CE LYS A 72 20.418 0.880 -15.260 1.00 54.12 C ATOM 1087 NZ LYS A 72 20.973 0.795 -13.881 1.00 64.13 N ATOM 0 H LYS A 72 16.286 -2.308 -12.721 1.00 3.01 H new ATOM 0 HA LYS A 72 16.176 -1.704 -15.551 1.00 52.12 H new ATOM 0 HB2 LYS A 72 18.184 -1.925 -13.395 1.00 53.41 H new ATOM 0 HB3 LYS A 72 18.743 -2.566 -14.927 1.00 53.41 H new ATOM 0 HG2 LYS A 72 17.536 -0.152 -15.645 1.00 45.14 H new ATOM 0 HG3 LYS A 72 18.299 0.217 -14.111 1.00 45.14 H new ATOM 0 HD2 LYS A 72 20.269 -1.258 -15.387 1.00 31.11 H new ATOM 0 HD3 LYS A 72 19.529 -0.409 -16.730 1.00 31.11 H new ATOM 0 HE2 LYS A 72 21.229 1.055 -15.967 1.00 54.12 H new ATOM 0 HE3 LYS A 72 19.745 1.735 -15.329 1.00 54.12 H new ATOM 0 HZ1 LYS A 72 21.200 1.750 -13.539 1.00 64.13 H new ATOM 0 HZ2 LYS A 72 20.270 0.359 -13.250 1.00 64.13 H new ATOM 0 HZ3 LYS A 72 21.837 0.216 -13.889 1.00 64.13 H new TER 1101 LYS A 72