USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=11 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 Set 1.1: A 33 MET CE :methyl 139:sc= -3.68 (180deg=-1.63) USER MOD Set 1.2: A 48 MET CE :methyl 172:sc= -3.47! (180deg=-0.874) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 47:sc= 0.939 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.261 K(o=0.26,f=-2.4!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc=0.000606 USER MOD Single : A 31 HIS : no HD1:sc= -0.652 X(o=-0.65,f=-0.4) USER MOD Single : A 34 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 35 ASN : amide:sc= -0.819 K(o=-0.82,f=-0.028) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.183 K(o=0.18,f=-2.1!) USER MOD Single : A 62 TYR OH : rot -30:sc= -1.28 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 142:sc= 0 (180deg=-0.129) USER MOD Single : A 70 THR OG1 : rot 14:sc= 0.759 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.982 0.521 6.611 1.00 14.41 N ATOM 2 CA MET A 1 8.092 -0.136 5.660 1.00 5.40 C ATOM 3 C MET A 1 8.879 -1.040 4.716 1.00 34.35 C ATOM 4 O MET A 1 9.238 -0.636 3.610 1.00 23.55 O ATOM 5 CB MET A 1 7.313 0.906 4.855 1.00 33.20 C ATOM 6 CG MET A 1 5.994 1.306 5.496 1.00 75.03 C ATOM 7 SD MET A 1 4.878 2.121 4.337 1.00 33.12 S ATOM 8 CE MET A 1 4.624 3.692 5.160 1.00 61.35 C ATOM 0 H1 MET A 1 8.425 1.131 7.243 1.00 14.41 H new ATOM 0 H2 MET A 1 9.480 -0.198 7.174 1.00 14.41 H new ATOM 0 H3 MET A 1 9.676 1.099 6.095 1.00 14.41 H new ATOM 0 HA MET A 1 7.389 -0.750 6.222 1.00 5.40 H new ATOM 0 HB2 MET A 1 7.932 1.795 4.731 1.00 33.20 H new ATOM 0 HB3 MET A 1 7.118 0.512 3.858 1.00 33.20 H new ATOM 0 HG2 MET A 1 5.507 0.419 5.900 1.00 75.03 H new ATOM 0 HG3 MET A 1 6.190 1.973 6.336 1.00 75.03 H new ATOM 0 HE1 MET A 1 3.953 4.311 4.564 1.00 61.35 H new ATOM 0 HE2 MET A 1 4.184 3.521 6.142 1.00 61.35 H new ATOM 0 HE3 MET A 1 5.581 4.201 5.275 1.00 61.35 H new ATOM 18 N ASP A 2 9.142 -2.264 5.161 1.00 61.25 N ATOM 19 CA ASP A 2 9.885 -3.226 4.355 1.00 22.30 C ATOM 20 C ASP A 2 9.138 -4.553 4.267 1.00 21.52 C ATOM 21 O ASP A 2 9.429 -5.493 5.009 1.00 54.31 O ATOM 22 CB ASP A 2 11.279 -3.449 4.945 1.00 74.21 C ATOM 23 CG ASP A 2 11.916 -2.161 5.427 1.00 31.03 C ATOM 24 OD1 ASP A 2 12.484 -1.430 4.589 1.00 32.41 O ATOM 25 OD2 ASP A 2 11.848 -1.884 6.643 1.00 14.13 O ATOM 0 H ASP A 2 8.852 -2.613 6.074 1.00 61.25 H new ATOM 0 HA ASP A 2 9.986 -2.819 3.349 1.00 22.30 H new ATOM 0 HB2 ASP A 2 11.211 -4.150 5.776 1.00 74.21 H new ATOM 0 HB3 ASP A 2 11.920 -3.908 4.192 1.00 74.21 H new ATOM 30 N THR A 3 8.173 -4.624 3.356 1.00 73.31 N ATOM 31 CA THR A 3 7.382 -5.835 3.172 1.00 2.14 C ATOM 32 C THR A 3 7.202 -6.155 1.693 1.00 62.10 C ATOM 33 O THR A 3 6.202 -5.776 1.083 1.00 2.12 O ATOM 34 CB THR A 3 5.995 -5.705 3.830 1.00 25.44 C ATOM 35 OG1 THR A 3 5.278 -4.610 3.250 1.00 24.05 O ATOM 36 CG2 THR A 3 6.126 -5.495 5.331 1.00 2.23 C ATOM 0 H THR A 3 7.920 -3.857 2.733 1.00 73.31 H new ATOM 0 HA THR A 3 7.930 -6.646 3.652 1.00 2.14 H new ATOM 0 HB THR A 3 5.446 -6.630 3.655 1.00 25.44 H new ATOM 0 HG1 THR A 3 5.347 -4.654 2.273 1.00 24.05 H new ATOM 0 HG21 THR A 3 5.134 -5.406 5.774 1.00 2.23 H new ATOM 0 HG22 THR A 3 6.646 -6.345 5.773 1.00 2.23 H new ATOM 0 HG23 THR A 3 6.692 -4.584 5.523 1.00 2.23 H new ATOM 44 N ASP A 4 8.176 -6.855 1.121 1.00 33.34 N ATOM 45 CA ASP A 4 8.124 -7.228 -0.287 1.00 74.34 C ATOM 46 C ASP A 4 7.781 -8.706 -0.446 1.00 23.51 C ATOM 47 O ASP A 4 7.821 -9.470 0.519 1.00 51.11 O ATOM 48 CB ASP A 4 9.460 -6.926 -0.967 1.00 1.12 C ATOM 49 CG ASP A 4 9.908 -5.494 -0.751 1.00 42.31 C ATOM 50 OD1 ASP A 4 10.364 -5.177 0.367 1.00 21.23 O ATOM 51 OD2 ASP A 4 9.802 -4.689 -1.701 1.00 21.14 O ATOM 0 H ASP A 4 9.011 -7.175 1.611 1.00 33.34 H new ATOM 0 HA ASP A 4 7.341 -6.638 -0.764 1.00 74.34 H new ATOM 0 HB2 ASP A 4 10.222 -7.604 -0.582 1.00 1.12 H new ATOM 0 HB3 ASP A 4 9.372 -7.119 -2.036 1.00 1.12 H new ATOM 56 N SER A 5 7.444 -9.103 -1.669 1.00 43.10 N ATOM 57 CA SER A 5 7.090 -10.489 -1.953 1.00 41.40 C ATOM 58 C SER A 5 7.923 -11.037 -3.108 1.00 3.44 C ATOM 59 O SER A 5 7.494 -11.943 -3.820 1.00 62.15 O ATOM 60 CB SER A 5 5.601 -10.598 -2.287 1.00 21.44 C ATOM 61 OG SER A 5 4.813 -9.903 -1.336 1.00 71.31 O ATOM 0 H SER A 5 7.409 -8.484 -2.479 1.00 43.10 H new ATOM 0 HA SER A 5 7.301 -11.082 -1.063 1.00 41.40 H new ATOM 0 HB2 SER A 5 5.418 -10.192 -3.282 1.00 21.44 H new ATOM 0 HB3 SER A 5 5.306 -11.647 -2.311 1.00 21.44 H new ATOM 0 HG SER A 5 3.866 -9.986 -1.573 1.00 71.31 H new ATOM 67 N GLU A 6 9.117 -10.479 -3.285 1.00 10.23 N ATOM 68 CA GLU A 6 10.010 -10.911 -4.353 1.00 44.21 C ATOM 69 C GLU A 6 10.896 -12.064 -3.889 1.00 51.30 C ATOM 70 O GLU A 6 11.308 -12.903 -4.689 1.00 22.24 O ATOM 71 CB GLU A 6 10.880 -9.743 -4.825 1.00 32.35 C ATOM 72 CG GLU A 6 11.876 -9.266 -3.781 1.00 62.32 C ATOM 73 CD GLU A 6 12.155 -7.779 -3.878 1.00 12.13 C ATOM 74 OE1 GLU A 6 11.192 -6.988 -3.801 1.00 74.13 O ATOM 75 OE2 GLU A 6 13.337 -7.406 -4.029 1.00 62.14 O ATOM 0 H GLU A 6 9.487 -9.728 -2.703 1.00 10.23 H new ATOM 0 HA GLU A 6 9.398 -11.258 -5.185 1.00 44.21 H new ATOM 0 HB2 GLU A 6 11.422 -10.044 -5.722 1.00 32.35 H new ATOM 0 HB3 GLU A 6 10.235 -8.911 -5.107 1.00 32.35 H new ATOM 0 HG2 GLU A 6 11.493 -9.496 -2.787 1.00 62.32 H new ATOM 0 HG3 GLU A 6 12.810 -9.816 -3.898 1.00 62.32 H new ATOM 82 N GLU A 7 11.184 -12.096 -2.592 1.00 11.14 N ATOM 83 CA GLU A 7 12.021 -13.145 -2.022 1.00 5.55 C ATOM 84 C GLU A 7 11.448 -14.525 -2.328 1.00 24.33 C ATOM 85 O GLU A 7 12.186 -15.503 -2.440 1.00 24.44 O ATOM 86 CB GLU A 7 12.151 -12.958 -0.508 1.00 63.24 C ATOM 87 CG GLU A 7 10.822 -12.739 0.194 1.00 11.31 C ATOM 88 CD GLU A 7 10.957 -12.717 1.704 1.00 33.23 C ATOM 89 OE1 GLU A 7 12.079 -12.475 2.196 1.00 41.23 O ATOM 90 OE2 GLU A 7 9.941 -12.943 2.394 1.00 11.15 O ATOM 0 H GLU A 7 10.850 -11.408 -1.917 1.00 11.14 H new ATOM 0 HA GLU A 7 13.009 -13.073 -2.476 1.00 5.55 H new ATOM 0 HB2 GLU A 7 12.637 -13.836 -0.082 1.00 63.24 H new ATOM 0 HB3 GLU A 7 12.802 -12.106 -0.310 1.00 63.24 H new ATOM 0 HG2 GLU A 7 10.389 -11.797 -0.142 1.00 11.31 H new ATOM 0 HG3 GLU A 7 10.129 -13.529 -0.094 1.00 11.31 H new ATOM 97 N GLU A 8 10.128 -14.595 -2.461 1.00 75.11 N ATOM 98 CA GLU A 8 9.455 -15.856 -2.753 1.00 5.23 C ATOM 99 C GLU A 8 9.856 -16.381 -4.128 1.00 44.44 C ATOM 100 O GLU A 8 9.614 -17.543 -4.456 1.00 13.42 O ATOM 101 CB GLU A 8 7.937 -15.678 -2.685 1.00 42.43 C ATOM 102 CG GLU A 8 7.277 -16.490 -1.584 1.00 63.31 C ATOM 103 CD GLU A 8 6.701 -17.798 -2.090 1.00 71.41 C ATOM 104 OE1 GLU A 8 5.526 -17.804 -2.514 1.00 42.33 O ATOM 105 OE2 GLU A 8 7.424 -18.816 -2.062 1.00 35.34 O ATOM 0 H GLU A 8 9.503 -13.794 -2.371 1.00 75.11 H new ATOM 0 HA GLU A 8 9.762 -16.584 -2.002 1.00 5.23 H new ATOM 0 HB2 GLU A 8 7.710 -14.623 -2.532 1.00 42.43 H new ATOM 0 HB3 GLU A 8 7.503 -15.962 -3.644 1.00 42.43 H new ATOM 0 HG2 GLU A 8 8.008 -16.697 -0.802 1.00 63.31 H new ATOM 0 HG3 GLU A 8 6.482 -15.899 -1.129 1.00 63.31 H new ATOM 112 N ILE A 9 10.470 -15.516 -4.929 1.00 24.01 N ATOM 113 CA ILE A 9 10.905 -15.892 -6.268 1.00 43.14 C ATOM 114 C ILE A 9 12.241 -16.626 -6.227 1.00 20.42 C ATOM 115 O ILE A 9 12.461 -17.579 -6.975 1.00 34.11 O ATOM 116 CB ILE A 9 11.038 -14.660 -7.184 1.00 32.44 C ATOM 117 CG1 ILE A 9 9.699 -13.927 -7.286 1.00 33.24 C ATOM 118 CG2 ILE A 9 11.527 -15.076 -8.563 1.00 52.20 C ATOM 119 CD1 ILE A 9 9.794 -12.588 -7.983 1.00 64.42 C ATOM 0 H ILE A 9 10.677 -14.550 -4.674 1.00 24.01 H new ATOM 0 HA ILE A 9 10.141 -16.555 -6.673 1.00 43.14 H new ATOM 0 HB ILE A 9 11.771 -13.980 -6.750 1.00 32.44 H new ATOM 0 HG12 ILE A 9 8.989 -14.557 -7.822 1.00 33.24 H new ATOM 0 HG13 ILE A 9 9.299 -13.778 -6.283 1.00 33.24 H new ATOM 0 HG21 ILE A 9 11.616 -14.195 -9.199 1.00 52.20 H new ATOM 0 HG22 ILE A 9 12.500 -15.559 -8.474 1.00 52.20 H new ATOM 0 HG23 ILE A 9 10.816 -15.773 -9.006 1.00 52.20 H new ATOM 0 HD11 ILE A 9 8.808 -12.126 -8.019 1.00 64.42 H new ATOM 0 HD12 ILE A 9 10.479 -11.940 -7.435 1.00 64.42 H new ATOM 0 HD13 ILE A 9 10.164 -12.732 -8.998 1.00 64.42 H new ATOM 131 N ARG A 10 13.130 -16.178 -5.346 1.00 55.10 N ATOM 132 CA ARG A 10 14.444 -16.793 -5.206 1.00 11.10 C ATOM 133 C ARG A 10 14.318 -18.287 -4.922 1.00 53.14 C ATOM 134 O ARG A 10 15.069 -19.097 -5.465 1.00 53.52 O ATOM 135 CB ARG A 10 15.231 -16.115 -4.083 1.00 51.52 C ATOM 136 CG ARG A 10 16.492 -16.864 -3.684 1.00 54.02 C ATOM 137 CD ARG A 10 17.497 -15.944 -3.009 1.00 53.23 C ATOM 138 NE ARG A 10 17.351 -15.946 -1.556 1.00 62.21 N ATOM 139 CZ ARG A 10 17.652 -16.988 -0.789 1.00 73.32 C ATOM 140 NH1 ARG A 10 18.112 -18.106 -1.334 1.00 41.22 N ATOM 141 NH2 ARG A 10 17.492 -16.914 0.526 1.00 3.40 N ATOM 0 H ARG A 10 12.964 -15.391 -4.719 1.00 55.10 H new ATOM 0 HA ARG A 10 14.980 -16.663 -6.146 1.00 11.10 H new ATOM 0 HB2 ARG A 10 15.502 -15.107 -4.398 1.00 51.52 H new ATOM 0 HB3 ARG A 10 14.587 -16.014 -3.209 1.00 51.52 H new ATOM 0 HG2 ARG A 10 16.234 -17.680 -3.009 1.00 54.02 H new ATOM 0 HG3 ARG A 10 16.945 -17.313 -4.568 1.00 54.02 H new ATOM 0 HD2 ARG A 10 18.508 -16.256 -3.272 1.00 53.23 H new ATOM 0 HD3 ARG A 10 17.369 -14.929 -3.385 1.00 53.23 H new ATOM 0 HE ARG A 10 16.999 -15.101 -1.106 1.00 62.21 H new ATOM 0 HH11 ARG A 10 18.236 -18.167 -2.345 1.00 41.22 H new ATOM 0 HH12 ARG A 10 18.342 -18.904 -0.743 1.00 41.22 H new ATOM 0 HH21 ARG A 10 17.137 -16.056 0.949 1.00 3.40 H new ATOM 0 HH22 ARG A 10 17.723 -17.715 1.114 1.00 3.40 H new ATOM 155 N GLU A 11 13.363 -18.643 -4.068 1.00 63.54 N ATOM 156 CA GLU A 11 13.141 -20.040 -3.712 1.00 55.23 C ATOM 157 C GLU A 11 12.341 -20.757 -4.796 1.00 40.14 C ATOM 158 O GLU A 11 12.437 -21.974 -4.951 1.00 2.02 O ATOM 159 CB GLU A 11 12.406 -20.137 -2.373 1.00 44.13 C ATOM 160 CG GLU A 11 12.741 -21.392 -1.585 1.00 61.23 C ATOM 161 CD GLU A 11 11.889 -21.544 -0.340 1.00 3.41 C ATOM 162 OE1 GLU A 11 11.472 -20.510 0.223 1.00 33.32 O ATOM 163 OE2 GLU A 11 11.640 -22.696 0.071 1.00 24.43 O ATOM 0 H GLU A 11 12.732 -17.985 -3.611 1.00 63.54 H new ATOM 0 HA GLU A 11 14.113 -20.524 -3.621 1.00 55.23 H new ATOM 0 HB2 GLU A 11 12.651 -19.263 -1.770 1.00 44.13 H new ATOM 0 HB3 GLU A 11 11.332 -20.108 -2.555 1.00 44.13 H new ATOM 0 HG2 GLU A 11 12.604 -22.265 -2.223 1.00 61.23 H new ATOM 0 HG3 GLU A 11 13.793 -21.368 -1.300 1.00 61.23 H new ATOM 170 N ALA A 12 11.552 -19.993 -5.544 1.00 55.21 N ATOM 171 CA ALA A 12 10.736 -20.554 -6.614 1.00 44.24 C ATOM 172 C ALA A 12 11.608 -21.095 -7.742 1.00 41.25 C ATOM 173 O ALA A 12 11.299 -22.126 -8.340 1.00 33.03 O ATOM 174 CB ALA A 12 9.771 -19.506 -7.147 1.00 52.52 C ATOM 0 H ALA A 12 11.460 -18.984 -5.429 1.00 55.21 H new ATOM 0 HA ALA A 12 10.162 -21.384 -6.203 1.00 44.24 H new ATOM 0 HB1 ALA A 12 9.168 -19.939 -7.945 1.00 52.52 H new ATOM 0 HB2 ALA A 12 9.118 -19.169 -6.342 1.00 52.52 H new ATOM 0 HB3 ALA A 12 10.334 -18.658 -7.537 1.00 52.52 H new ATOM 180 N PHE A 13 12.699 -20.392 -8.030 1.00 71.21 N ATOM 181 CA PHE A 13 13.615 -20.801 -9.088 1.00 71.43 C ATOM 182 C PHE A 13 14.624 -21.822 -8.570 1.00 1.33 C ATOM 183 O PHE A 13 15.242 -22.550 -9.347 1.00 1.42 O ATOM 184 CB PHE A 13 14.349 -19.585 -9.656 1.00 14.53 C ATOM 185 CG PHE A 13 13.683 -18.994 -10.866 1.00 2.11 C ATOM 186 CD1 PHE A 13 12.618 -18.118 -10.729 1.00 71.50 C ATOM 187 CD2 PHE A 13 14.123 -19.314 -12.140 1.00 44.41 C ATOM 188 CE1 PHE A 13 12.003 -17.574 -11.841 1.00 65.30 C ATOM 189 CE2 PHE A 13 13.513 -18.772 -13.256 1.00 21.11 C ATOM 190 CZ PHE A 13 12.452 -17.901 -13.106 1.00 4.51 C ATOM 0 H PHE A 13 12.970 -19.536 -7.545 1.00 71.21 H new ATOM 0 HA PHE A 13 13.029 -21.266 -9.881 1.00 71.43 H new ATOM 0 HB2 PHE A 13 14.423 -18.821 -8.882 1.00 14.53 H new ATOM 0 HB3 PHE A 13 15.367 -19.874 -9.916 1.00 14.53 H new ATOM 0 HD1 PHE A 13 12.265 -17.857 -9.742 1.00 71.50 H new ATOM 0 HD2 PHE A 13 14.952 -19.995 -12.263 1.00 44.41 H new ATOM 0 HE1 PHE A 13 11.172 -16.894 -11.721 1.00 65.30 H new ATOM 0 HE2 PHE A 13 13.866 -19.029 -14.244 1.00 21.11 H new ATOM 0 HZ PHE A 13 11.974 -17.476 -13.976 1.00 4.51 H new ATOM 200 N ARG A 14 14.786 -21.868 -7.251 1.00 53.34 N ATOM 201 CA ARG A 14 15.721 -22.797 -6.628 1.00 53.42 C ATOM 202 C ARG A 14 15.085 -24.173 -6.454 1.00 0.21 C ATOM 203 O ARG A 14 15.751 -25.198 -6.595 1.00 62.41 O ATOM 204 CB ARG A 14 16.179 -22.259 -5.271 1.00 73.02 C ATOM 205 CG ARG A 14 17.690 -22.210 -5.114 1.00 54.41 C ATOM 206 CD ARG A 14 18.189 -23.303 -4.182 1.00 51.32 C ATOM 207 NE ARG A 14 19.354 -22.875 -3.412 1.00 71.50 N ATOM 208 CZ ARG A 14 19.299 -21.980 -2.432 1.00 61.13 C ATOM 209 NH1 ARG A 14 18.143 -21.421 -2.105 1.00 15.22 N ATOM 210 NH2 ARG A 14 20.403 -21.643 -1.778 1.00 11.04 N ATOM 0 H ARG A 14 14.282 -21.273 -6.594 1.00 53.34 H new ATOM 0 HA ARG A 14 16.587 -22.896 -7.283 1.00 53.42 H new ATOM 0 HB2 ARG A 14 15.775 -21.256 -5.132 1.00 73.02 H new ATOM 0 HB3 ARG A 14 15.760 -22.884 -4.482 1.00 73.02 H new ATOM 0 HG2 ARG A 14 18.162 -22.319 -6.090 1.00 54.41 H new ATOM 0 HG3 ARG A 14 17.985 -21.236 -4.725 1.00 54.41 H new ATOM 0 HD2 ARG A 14 17.389 -23.591 -3.500 1.00 51.32 H new ATOM 0 HD3 ARG A 14 18.445 -24.188 -4.765 1.00 51.32 H new ATOM 0 HE ARG A 14 20.259 -23.286 -3.639 1.00 71.50 H new ATOM 0 HH11 ARG A 14 17.293 -21.678 -2.606 1.00 15.22 H new ATOM 0 HH12 ARG A 14 18.104 -20.734 -1.352 1.00 15.22 H new ATOM 0 HH21 ARG A 14 21.294 -22.071 -2.028 1.00 11.04 H new ATOM 0 HH22 ARG A 14 20.360 -20.956 -1.026 1.00 11.04 H new ATOM 224 N VAL A 15 13.792 -24.187 -6.146 1.00 20.03 N ATOM 225 CA VAL A 15 13.066 -25.437 -5.953 1.00 11.55 C ATOM 226 C VAL A 15 12.813 -26.137 -7.283 1.00 43.40 C ATOM 227 O VAL A 15 12.642 -27.355 -7.333 1.00 43.12 O ATOM 228 CB VAL A 15 11.718 -25.199 -5.246 1.00 0.10 C ATOM 229 CG1 VAL A 15 10.923 -26.493 -5.163 1.00 52.13 C ATOM 230 CG2 VAL A 15 11.940 -24.610 -3.861 1.00 34.21 C ATOM 0 H VAL A 15 13.226 -23.347 -6.025 1.00 20.03 H new ATOM 0 HA VAL A 15 13.691 -26.072 -5.325 1.00 11.55 H new ATOM 0 HB VAL A 15 11.141 -24.483 -5.832 1.00 0.10 H new ATOM 0 HG11 VAL A 15 9.974 -26.305 -4.661 1.00 52.13 H new ATOM 0 HG12 VAL A 15 10.733 -26.869 -6.169 1.00 52.13 H new ATOM 0 HG13 VAL A 15 11.491 -27.234 -4.600 1.00 52.13 H new ATOM 0 HG21 VAL A 15 10.977 -24.448 -3.376 1.00 34.21 H new ATOM 0 HG22 VAL A 15 12.536 -25.300 -3.264 1.00 34.21 H new ATOM 0 HG23 VAL A 15 12.466 -23.659 -3.950 1.00 34.21 H new ATOM 240 N PHE A 16 12.791 -25.358 -8.360 1.00 65.50 N ATOM 241 CA PHE A 16 12.559 -25.904 -9.693 1.00 3.45 C ATOM 242 C PHE A 16 13.776 -26.684 -10.180 1.00 61.53 C ATOM 243 O PHE A 16 13.660 -27.833 -10.607 1.00 34.40 O ATOM 244 CB PHE A 16 12.233 -24.779 -10.677 1.00 52.21 C ATOM 245 CG PHE A 16 10.760 -24.537 -10.844 1.00 12.01 C ATOM 246 CD1 PHE A 16 9.932 -24.428 -9.738 1.00 24.51 C ATOM 247 CD2 PHE A 16 10.202 -24.419 -12.107 1.00 5.20 C ATOM 248 CE1 PHE A 16 8.577 -24.206 -9.888 1.00 15.41 C ATOM 249 CE2 PHE A 16 8.848 -24.195 -12.263 1.00 74.52 C ATOM 250 CZ PHE A 16 8.033 -24.090 -11.152 1.00 44.04 C ATOM 0 H PHE A 16 12.931 -24.348 -8.336 1.00 65.50 H new ATOM 0 HA PHE A 16 11.711 -26.586 -9.637 1.00 3.45 H new ATOM 0 HB2 PHE A 16 12.708 -23.859 -10.335 1.00 52.21 H new ATOM 0 HB3 PHE A 16 12.666 -25.020 -11.648 1.00 52.21 H new ATOM 0 HD1 PHE A 16 10.351 -24.518 -8.747 1.00 24.51 H new ATOM 0 HD2 PHE A 16 10.833 -24.503 -12.979 1.00 5.20 H new ATOM 0 HE1 PHE A 16 7.943 -24.123 -9.017 1.00 15.41 H new ATOM 0 HE2 PHE A 16 8.426 -24.102 -13.253 1.00 74.52 H new ATOM 0 HZ PHE A 16 6.974 -23.918 -11.272 1.00 44.04 H new ATOM 260 N ASP A 17 14.942 -26.052 -10.114 1.00 65.15 N ATOM 261 CA ASP A 17 16.182 -26.687 -10.549 1.00 13.54 C ATOM 262 C ASP A 17 16.877 -27.377 -9.380 1.00 22.14 C ATOM 263 O ASP A 17 17.069 -26.783 -8.318 1.00 63.14 O ATOM 264 CB ASP A 17 17.117 -25.651 -11.175 1.00 62.43 C ATOM 265 CG ASP A 17 18.510 -26.200 -11.414 1.00 43.34 C ATOM 266 OD1 ASP A 17 18.625 -27.383 -11.797 1.00 31.20 O ATOM 267 OD2 ASP A 17 19.486 -25.445 -11.220 1.00 32.13 O ATOM 0 H ASP A 17 15.056 -25.101 -9.764 1.00 65.15 H new ATOM 0 HA ASP A 17 15.934 -27.440 -11.297 1.00 13.54 H new ATOM 0 HB2 ASP A 17 16.696 -25.310 -12.121 1.00 62.43 H new ATOM 0 HB3 ASP A 17 17.179 -24.780 -10.522 1.00 62.43 H new ATOM 272 N LYS A 18 17.252 -28.636 -9.581 1.00 11.12 N ATOM 273 CA LYS A 18 17.926 -29.409 -8.545 1.00 3.14 C ATOM 274 C LYS A 18 19.377 -29.682 -8.927 1.00 44.21 C ATOM 275 O LYS A 18 19.772 -30.832 -9.122 1.00 2.43 O ATOM 276 CB LYS A 18 17.193 -30.731 -8.307 1.00 50.01 C ATOM 277 CG LYS A 18 15.769 -30.556 -7.808 1.00 2.31 C ATOM 278 CD LYS A 18 14.858 -31.657 -8.323 1.00 61.12 C ATOM 279 CE LYS A 18 14.267 -32.471 -7.182 1.00 41.12 C ATOM 280 NZ LYS A 18 14.995 -33.755 -6.982 1.00 13.33 N ATOM 0 H LYS A 18 17.100 -29.143 -10.453 1.00 11.12 H new ATOM 0 HA LYS A 18 17.915 -28.824 -7.625 1.00 3.14 H new ATOM 0 HB2 LYS A 18 17.176 -31.300 -9.237 1.00 50.01 H new ATOM 0 HB3 LYS A 18 17.753 -31.322 -7.582 1.00 50.01 H new ATOM 0 HG2 LYS A 18 15.762 -30.557 -6.718 1.00 2.31 H new ATOM 0 HG3 LYS A 18 15.387 -29.587 -8.128 1.00 2.31 H new ATOM 0 HD2 LYS A 18 14.053 -31.219 -8.913 1.00 61.12 H new ATOM 0 HD3 LYS A 18 15.419 -32.314 -8.987 1.00 61.12 H new ATOM 0 HE2 LYS A 18 14.302 -31.887 -6.263 1.00 41.12 H new ATOM 0 HE3 LYS A 18 13.217 -32.677 -7.389 1.00 41.12 H new ATOM 0 HZ1 LYS A 18 14.562 -34.281 -6.196 1.00 13.33 H new ATOM 0 HZ2 LYS A 18 14.940 -34.324 -7.851 1.00 13.33 H new ATOM 0 HZ3 LYS A 18 15.992 -33.558 -6.760 1.00 13.33 H new ATOM 294 N ASP A 19 20.167 -28.619 -9.032 1.00 11.44 N ATOM 295 CA ASP A 19 21.575 -28.744 -9.388 1.00 63.11 C ATOM 296 C ASP A 19 22.459 -28.023 -8.375 1.00 13.20 C ATOM 297 O ASP A 19 23.393 -28.605 -7.826 1.00 3.42 O ATOM 298 CB ASP A 19 21.821 -28.182 -10.789 1.00 52.41 C ATOM 299 CG ASP A 19 21.448 -29.165 -11.881 1.00 43.02 C ATOM 300 OD1 ASP A 19 20.298 -29.651 -11.874 1.00 42.24 O ATOM 301 OD2 ASP A 19 22.307 -29.449 -12.742 1.00 63.42 O ATOM 0 H ASP A 19 19.856 -27.660 -8.875 1.00 11.44 H new ATOM 0 HA ASP A 19 21.833 -29.803 -9.379 1.00 63.11 H new ATOM 0 HB2 ASP A 19 21.244 -27.266 -10.916 1.00 52.41 H new ATOM 0 HB3 ASP A 19 22.872 -27.913 -10.890 1.00 52.41 H new ATOM 306 N GLY A 20 22.156 -26.751 -8.133 1.00 2.21 N ATOM 307 CA GLY A 20 22.933 -25.971 -7.187 1.00 52.43 C ATOM 308 C GLY A 20 23.390 -24.646 -7.766 1.00 24.40 C ATOM 309 O GLY A 20 23.361 -23.621 -7.087 1.00 32.35 O ATOM 0 H GLY A 20 21.387 -26.247 -8.575 1.00 2.21 H new ATOM 0 HA2 GLY A 20 22.335 -25.787 -6.294 1.00 52.43 H new ATOM 0 HA3 GLY A 20 23.804 -26.547 -6.874 1.00 52.43 H new ATOM 313 N ASN A 21 23.816 -24.668 -9.025 1.00 25.03 N ATOM 314 CA ASN A 21 24.285 -23.460 -9.694 1.00 52.10 C ATOM 315 C ASN A 21 23.183 -22.406 -9.749 1.00 75.52 C ATOM 316 O ASN A 21 23.374 -21.270 -9.320 1.00 12.41 O ATOM 317 CB ASN A 21 24.763 -23.789 -11.110 1.00 13.32 C ATOM 318 CG ASN A 21 25.754 -24.936 -11.133 1.00 73.55 C ATOM 319 OD1 ASN A 21 25.392 -26.088 -10.893 1.00 60.53 O ATOM 320 ND2 ASN A 21 27.012 -24.626 -11.424 1.00 13.22 N ATOM 0 H ASN A 21 23.846 -25.509 -9.602 1.00 25.03 H new ATOM 0 HA ASN A 21 25.120 -23.058 -9.120 1.00 52.10 H new ATOM 0 HB2 ASN A 21 23.904 -24.042 -11.731 1.00 13.32 H new ATOM 0 HB3 ASN A 21 25.224 -22.905 -11.550 1.00 13.32 H new ATOM 0 HD21 ASN A 21 27.723 -25.357 -11.455 1.00 13.22 H new ATOM 0 HD22 ASN A 21 27.267 -23.657 -11.616 1.00 13.22 H new ATOM 327 N GLY A 22 22.027 -22.794 -10.281 1.00 30.02 N ATOM 328 CA GLY A 22 20.911 -21.872 -10.382 1.00 72.10 C ATOM 329 C GLY A 22 20.665 -21.413 -11.806 1.00 23.14 C ATOM 330 O GLY A 22 20.806 -20.230 -12.117 1.00 22.21 O ATOM 0 H GLY A 22 21.844 -23.730 -10.643 1.00 30.02 H new ATOM 0 HA2 GLY A 22 20.011 -22.352 -9.998 1.00 72.10 H new ATOM 0 HA3 GLY A 22 21.103 -21.004 -9.752 1.00 72.10 H new ATOM 334 N TYR A 23 20.299 -22.350 -12.673 1.00 32.33 N ATOM 335 CA TYR A 23 20.037 -22.036 -14.072 1.00 63.43 C ATOM 336 C TYR A 23 18.954 -22.948 -14.642 1.00 2.42 C ATOM 337 O TYR A 23 19.089 -24.172 -14.632 1.00 41.52 O ATOM 338 CB TYR A 23 21.319 -22.173 -14.896 1.00 22.15 C ATOM 339 CG TYR A 23 22.421 -21.233 -14.462 1.00 13.45 C ATOM 340 CD1 TYR A 23 23.295 -21.580 -13.439 1.00 34.24 C ATOM 341 CD2 TYR A 23 22.587 -19.996 -15.073 1.00 61.44 C ATOM 342 CE1 TYR A 23 24.302 -20.724 -13.038 1.00 41.11 C ATOM 343 CE2 TYR A 23 23.593 -19.135 -14.680 1.00 54.45 C ATOM 344 CZ TYR A 23 24.447 -19.503 -13.662 1.00 43.44 C ATOM 345 OH TYR A 23 25.449 -18.646 -13.267 1.00 63.31 O ATOM 0 H TYR A 23 20.177 -23.333 -12.431 1.00 32.33 H new ATOM 0 HA TYR A 23 19.685 -21.006 -14.127 1.00 63.43 H new ATOM 0 HB2 TYR A 23 21.679 -23.199 -14.824 1.00 22.15 H new ATOM 0 HB3 TYR A 23 21.088 -21.989 -15.945 1.00 22.15 H new ATOM 0 HD1 TYR A 23 23.185 -22.536 -12.949 1.00 34.24 H new ATOM 0 HD2 TYR A 23 21.918 -19.703 -15.869 1.00 61.44 H new ATOM 0 HE1 TYR A 23 24.972 -21.009 -12.240 1.00 41.11 H new ATOM 0 HE2 TYR A 23 23.710 -18.178 -15.168 1.00 54.45 H new ATOM 0 HH TYR A 23 25.414 -17.830 -13.808 1.00 63.31 H new ATOM 355 N ILE A 24 17.881 -22.341 -15.138 1.00 31.43 N ATOM 356 CA ILE A 24 16.775 -23.097 -15.713 1.00 41.32 C ATOM 357 C ILE A 24 16.747 -22.960 -17.232 1.00 3.13 C ATOM 358 O ILE A 24 17.506 -22.181 -17.809 1.00 53.20 O ATOM 359 CB ILE A 24 15.421 -22.636 -15.143 1.00 10.44 C ATOM 360 CG1 ILE A 24 15.223 -21.138 -15.387 1.00 60.25 C ATOM 361 CG2 ILE A 24 15.338 -22.950 -13.657 1.00 34.45 C ATOM 362 CD1 ILE A 24 13.949 -20.811 -16.134 1.00 34.31 C ATOM 0 H ILE A 24 17.754 -21.329 -15.153 1.00 31.43 H new ATOM 0 HA ILE A 24 16.935 -24.142 -15.447 1.00 41.32 H new ATOM 0 HB ILE A 24 14.625 -23.177 -15.655 1.00 10.44 H new ATOM 0 HG12 ILE A 24 15.216 -20.620 -14.428 1.00 60.25 H new ATOM 0 HG13 ILE A 24 16.074 -20.754 -15.950 1.00 60.25 H new ATOM 0 HG21 ILE A 24 14.375 -22.618 -13.268 1.00 34.45 H new ATOM 0 HG22 ILE A 24 15.440 -24.025 -13.506 1.00 34.45 H new ATOM 0 HG23 ILE A 24 16.140 -22.432 -13.130 1.00 34.45 H new ATOM 0 HD11 ILE A 24 13.874 -19.732 -16.271 1.00 34.31 H new ATOM 0 HD12 ILE A 24 13.962 -21.301 -17.108 1.00 34.31 H new ATOM 0 HD13 ILE A 24 13.091 -21.164 -15.562 1.00 34.31 H new ATOM 374 N SER A 25 15.867 -23.721 -17.873 1.00 74.31 N ATOM 375 CA SER A 25 15.741 -23.687 -19.325 1.00 54.34 C ATOM 376 C SER A 25 14.565 -22.811 -19.748 1.00 71.11 C ATOM 377 O SER A 25 13.766 -22.382 -18.916 1.00 42.52 O ATOM 378 CB SER A 25 15.561 -25.102 -19.877 1.00 30.53 C ATOM 379 OG SER A 25 14.515 -25.782 -19.205 1.00 31.42 O ATOM 0 H SER A 25 15.230 -24.369 -17.410 1.00 74.31 H new ATOM 0 HA SER A 25 16.657 -23.259 -19.734 1.00 54.34 H new ATOM 0 HB2 SER A 25 15.342 -25.055 -20.944 1.00 30.53 H new ATOM 0 HB3 SER A 25 16.491 -25.660 -19.767 1.00 30.53 H new ATOM 0 HG SER A 25 14.419 -26.683 -19.577 1.00 31.42 H new ATOM 385 N ALA A 26 14.466 -22.551 -21.048 1.00 2.14 N ATOM 386 CA ALA A 26 13.388 -21.729 -21.582 1.00 51.33 C ATOM 387 C ALA A 26 12.039 -22.152 -21.010 1.00 43.10 C ATOM 388 O ALA A 26 11.266 -21.319 -20.539 1.00 34.14 O ATOM 389 CB ALA A 26 13.367 -21.808 -23.102 1.00 22.34 C ATOM 0 H ALA A 26 15.119 -22.898 -21.750 1.00 2.14 H new ATOM 0 HA ALA A 26 13.571 -20.696 -21.285 1.00 51.33 H new ATOM 0 HB1 ALA A 26 12.557 -21.189 -23.487 1.00 22.34 H new ATOM 0 HB2 ALA A 26 14.317 -21.450 -23.498 1.00 22.34 H new ATOM 0 HB3 ALA A 26 13.212 -22.842 -23.410 1.00 22.34 H new ATOM 395 N ALA A 27 11.764 -23.451 -21.055 1.00 70.33 N ATOM 396 CA ALA A 27 10.509 -23.985 -20.540 1.00 41.30 C ATOM 397 C ALA A 27 10.199 -23.421 -19.158 1.00 4.54 C ATOM 398 O ALA A 27 9.188 -22.746 -18.964 1.00 51.34 O ATOM 399 CB ALA A 27 10.562 -25.505 -20.492 1.00 53.53 C ATOM 0 H ALA A 27 12.394 -24.154 -21.443 1.00 70.33 H new ATOM 0 HA ALA A 27 9.709 -23.682 -21.216 1.00 41.30 H new ATOM 0 HB1 ALA A 27 9.618 -25.890 -20.105 1.00 53.53 H new ATOM 0 HB2 ALA A 27 10.729 -25.895 -21.496 1.00 53.53 H new ATOM 0 HB3 ALA A 27 11.377 -25.820 -19.840 1.00 53.53 H new ATOM 405 N ASP A 28 11.075 -23.702 -18.199 1.00 43.33 N ATOM 406 CA ASP A 28 10.895 -23.222 -16.834 1.00 42.30 C ATOM 407 C ASP A 28 10.690 -21.710 -16.812 1.00 63.20 C ATOM 408 O ASP A 28 10.010 -21.178 -15.934 1.00 12.10 O ATOM 409 CB ASP A 28 12.104 -23.598 -15.975 1.00 54.40 C ATOM 410 CG ASP A 28 11.890 -24.889 -15.209 1.00 45.44 C ATOM 411 OD1 ASP A 28 10.928 -25.617 -15.530 1.00 14.12 O ATOM 412 OD2 ASP A 28 12.687 -25.171 -14.290 1.00 60.24 O ATOM 0 H ASP A 28 11.917 -24.260 -18.342 1.00 43.33 H new ATOM 0 HA ASP A 28 10.005 -23.697 -16.422 1.00 42.30 H new ATOM 0 HB2 ASP A 28 12.982 -23.698 -16.613 1.00 54.40 H new ATOM 0 HB3 ASP A 28 12.311 -22.792 -15.272 1.00 54.40 H new ATOM 417 N LEU A 29 11.284 -21.024 -17.782 1.00 53.22 N ATOM 418 CA LEU A 29 11.167 -19.572 -17.874 1.00 64.52 C ATOM 419 C LEU A 29 9.764 -19.165 -18.310 1.00 75.31 C ATOM 420 O LEU A 29 9.103 -18.367 -17.645 1.00 5.21 O ATOM 421 CB LEU A 29 12.200 -19.020 -18.858 1.00 52.33 C ATOM 422 CG LEU A 29 12.511 -17.528 -18.737 1.00 3.33 C ATOM 423 CD1 LEU A 29 13.338 -17.255 -17.490 1.00 10.13 C ATOM 424 CD2 LEU A 29 13.237 -17.031 -19.979 1.00 32.41 C ATOM 0 H LEU A 29 11.851 -21.449 -18.516 1.00 53.22 H new ATOM 0 HA LEU A 29 11.355 -19.153 -16.885 1.00 64.52 H new ATOM 0 HB2 LEU A 29 13.129 -19.576 -18.729 1.00 52.33 H new ATOM 0 HB3 LEU A 29 11.849 -19.217 -19.871 1.00 52.33 H new ATOM 0 HG LEU A 29 11.569 -16.986 -18.650 1.00 3.33 H new ATOM 0 HD11 LEU A 29 13.550 -16.188 -17.420 1.00 10.13 H new ATOM 0 HD12 LEU A 29 12.782 -17.573 -16.608 1.00 10.13 H new ATOM 0 HD13 LEU A 29 14.276 -17.808 -17.547 1.00 10.13 H new ATOM 0 HD21 LEU A 29 13.450 -15.967 -19.875 1.00 32.41 H new ATOM 0 HD22 LEU A 29 14.172 -17.578 -20.097 1.00 32.41 H new ATOM 0 HD23 LEU A 29 12.609 -17.191 -20.856 1.00 32.41 H new ATOM 436 N ARG A 30 9.313 -19.721 -19.430 1.00 52.11 N ATOM 437 CA ARG A 30 7.987 -19.416 -19.954 1.00 72.31 C ATOM 438 C ARG A 30 6.908 -19.734 -18.923 1.00 23.24 C ATOM 439 O ARG A 30 5.883 -19.055 -18.851 1.00 24.21 O ATOM 440 CB ARG A 30 7.729 -20.207 -21.238 1.00 35.00 C ATOM 441 CG ARG A 30 6.481 -19.764 -21.986 1.00 25.04 C ATOM 442 CD ARG A 30 5.389 -20.820 -21.921 1.00 50.24 C ATOM 443 NE ARG A 30 4.344 -20.588 -22.915 1.00 42.51 N ATOM 444 CZ ARG A 30 3.208 -21.274 -22.961 1.00 61.33 C ATOM 445 NH1 ARG A 30 2.971 -22.231 -22.074 1.00 44.03 N ATOM 446 NH2 ARG A 30 2.306 -21.004 -23.896 1.00 32.31 N ATOM 0 H ARG A 30 9.846 -20.385 -19.992 1.00 52.11 H new ATOM 0 HA ARG A 30 7.949 -18.350 -20.177 1.00 72.31 H new ATOM 0 HB2 ARG A 30 8.592 -20.106 -21.896 1.00 35.00 H new ATOM 0 HB3 ARG A 30 7.638 -21.265 -20.991 1.00 35.00 H new ATOM 0 HG2 ARG A 30 6.112 -18.831 -21.560 1.00 25.04 H new ATOM 0 HG3 ARG A 30 6.732 -19.562 -23.027 1.00 25.04 H new ATOM 0 HD2 ARG A 30 5.828 -21.805 -22.079 1.00 50.24 H new ATOM 0 HD3 ARG A 30 4.947 -20.824 -20.925 1.00 50.24 H new ATOM 0 HE ARG A 30 4.495 -19.859 -23.612 1.00 42.51 H new ATOM 0 HH11 ARG A 30 3.662 -22.442 -21.354 1.00 44.03 H new ATOM 0 HH12 ARG A 30 2.098 -22.756 -22.112 1.00 44.03 H new ATOM 0 HH21 ARG A 30 2.485 -20.269 -24.580 1.00 32.31 H new ATOM 0 HH22 ARG A 30 1.434 -21.532 -23.931 1.00 32.31 H new ATOM 460 N HIS A 31 7.146 -20.771 -18.126 1.00 21.24 N ATOM 461 CA HIS A 31 6.195 -21.179 -17.098 1.00 22.33 C ATOM 462 C HIS A 31 6.158 -20.165 -15.959 1.00 13.13 C ATOM 463 O HIS A 31 5.122 -19.556 -15.689 1.00 71.44 O ATOM 464 CB HIS A 31 6.561 -22.561 -16.554 1.00 42.31 C ATOM 465 CG HIS A 31 6.690 -23.608 -17.617 1.00 43.21 C ATOM 466 ND1 HIS A 31 5.953 -23.592 -18.782 1.00 62.14 N ATOM 467 CD2 HIS A 31 7.479 -24.706 -17.687 1.00 55.00 C ATOM 468 CE1 HIS A 31 6.281 -24.636 -19.522 1.00 62.33 C ATOM 469 NE2 HIS A 31 7.205 -25.328 -18.880 1.00 63.13 N ATOM 0 H HIS A 31 7.989 -21.344 -18.172 1.00 21.24 H new ATOM 0 HA HIS A 31 5.205 -21.226 -17.552 1.00 22.33 H new ATOM 0 HB2 HIS A 31 7.502 -22.490 -16.009 1.00 42.31 H new ATOM 0 HB3 HIS A 31 5.801 -22.874 -15.838 1.00 42.31 H new ATOM 0 HD2 HIS A 31 8.191 -25.032 -16.943 1.00 55.00 H new ATOM 0 HE1 HIS A 31 5.865 -24.882 -20.488 1.00 62.33 H new ATOM 0 HE2 HIS A 31 7.644 -26.185 -19.216 1.00 63.13 H new ATOM 477 N VAL A 32 7.294 -19.988 -15.292 1.00 63.23 N ATOM 478 CA VAL A 32 7.392 -19.048 -14.183 1.00 15.44 C ATOM 479 C VAL A 32 6.958 -17.649 -14.608 1.00 32.22 C ATOM 480 O VAL A 32 6.249 -16.959 -13.876 1.00 71.01 O ATOM 481 CB VAL A 32 8.827 -18.981 -13.627 1.00 74.31 C ATOM 482 CG1 VAL A 32 8.896 -18.034 -12.439 1.00 22.11 C ATOM 483 CG2 VAL A 32 9.313 -20.370 -13.241 1.00 73.24 C ATOM 0 H VAL A 32 8.160 -20.484 -15.501 1.00 63.23 H new ATOM 0 HA VAL A 32 6.725 -19.411 -13.402 1.00 15.44 H new ATOM 0 HB VAL A 32 9.483 -18.595 -14.407 1.00 74.31 H new ATOM 0 HG11 VAL A 32 9.917 -18.000 -12.060 1.00 22.11 H new ATOM 0 HG12 VAL A 32 8.591 -17.035 -12.752 1.00 22.11 H new ATOM 0 HG13 VAL A 32 8.229 -18.387 -11.653 1.00 22.11 H new ATOM 0 HG21 VAL A 32 10.328 -20.305 -12.850 1.00 73.24 H new ATOM 0 HG22 VAL A 32 8.656 -20.786 -12.477 1.00 73.24 H new ATOM 0 HG23 VAL A 32 9.303 -21.016 -14.119 1.00 73.24 H new ATOM 493 N MET A 33 7.388 -17.238 -15.796 1.00 3.10 N ATOM 494 CA MET A 33 7.043 -15.922 -16.320 1.00 13.41 C ATOM 495 C MET A 33 5.543 -15.815 -16.575 1.00 53.24 C ATOM 496 O MET A 33 4.867 -14.948 -16.019 1.00 63.30 O ATOM 497 CB MET A 33 7.813 -15.645 -17.612 1.00 60.14 C ATOM 498 CG MET A 33 9.295 -15.387 -17.393 1.00 51.13 C ATOM 499 SD MET A 33 9.688 -13.629 -17.307 1.00 64.44 S ATOM 500 CE MET A 33 9.246 -13.102 -18.961 1.00 33.11 C ATOM 0 H MET A 33 7.976 -17.797 -16.414 1.00 3.10 H new ATOM 0 HA MET A 33 7.321 -15.177 -15.574 1.00 13.41 H new ATOM 0 HB2 MET A 33 7.696 -16.495 -18.284 1.00 60.14 H new ATOM 0 HB3 MET A 33 7.372 -14.782 -18.110 1.00 60.14 H new ATOM 0 HG2 MET A 33 9.612 -15.872 -16.470 1.00 51.13 H new ATOM 0 HG3 MET A 33 9.863 -15.843 -18.204 1.00 51.13 H new ATOM 0 HE1 MET A 33 8.738 -12.139 -18.912 1.00 33.11 H new ATOM 0 HE2 MET A 33 10.148 -13.006 -19.566 1.00 33.11 H new ATOM 0 HE3 MET A 33 8.583 -13.840 -19.413 1.00 33.11 H new ATOM 510 N THR A 34 5.026 -16.701 -17.421 1.00 62.21 N ATOM 511 CA THR A 34 3.607 -16.705 -17.751 1.00 72.44 C ATOM 512 C THR A 34 2.753 -16.910 -16.505 1.00 51.02 C ATOM 513 O THR A 34 1.568 -16.580 -16.492 1.00 40.43 O ATOM 514 CB THR A 34 3.272 -17.806 -18.776 1.00 14.12 C ATOM 515 OG1 THR A 34 4.035 -17.611 -19.971 1.00 61.14 O ATOM 516 CG2 THR A 34 1.787 -17.801 -19.109 1.00 44.23 C ATOM 0 H THR A 34 5.570 -17.425 -17.890 1.00 62.21 H new ATOM 0 HA THR A 34 3.381 -15.732 -18.187 1.00 72.44 H new ATOM 0 HB THR A 34 3.526 -18.771 -18.337 1.00 14.12 H new ATOM 0 HG1 THR A 34 4.955 -17.917 -19.826 1.00 61.14 H new ATOM 0 HG21 THR A 34 1.574 -18.586 -19.834 1.00 44.23 H new ATOM 0 HG22 THR A 34 1.210 -17.979 -18.202 1.00 44.23 H new ATOM 0 HG23 THR A 34 1.512 -16.834 -19.530 1.00 44.23 H new ATOM 524 N ASN A 35 3.363 -17.456 -15.459 1.00 22.45 N ATOM 525 CA ASN A 35 2.658 -17.705 -14.206 1.00 51.34 C ATOM 526 C ASN A 35 3.412 -17.098 -13.027 1.00 65.04 C ATOM 527 O ASN A 35 4.230 -17.764 -12.391 1.00 3.34 O ATOM 528 CB ASN A 35 2.474 -19.208 -13.990 1.00 25.22 C ATOM 529 CG ASN A 35 1.565 -19.835 -15.029 1.00 31.34 C ATOM 530 OD1 ASN A 35 0.446 -20.247 -14.722 1.00 71.25 O ATOM 531 ND2 ASN A 35 2.043 -19.911 -16.265 1.00 41.32 N ATOM 0 H ASN A 35 4.344 -17.735 -15.453 1.00 22.45 H new ATOM 0 HA ASN A 35 1.678 -17.232 -14.269 1.00 51.34 H new ATOM 0 HB2 ASN A 35 3.447 -19.698 -14.020 1.00 25.22 H new ATOM 0 HB3 ASN A 35 2.060 -19.381 -12.997 1.00 25.22 H new ATOM 0 HD21 ASN A 35 1.477 -20.324 -17.006 1.00 41.32 H new ATOM 0 HD22 ASN A 35 2.976 -19.556 -16.474 1.00 41.32 H new ATOM 538 N LEU A 36 3.132 -15.831 -12.742 1.00 22.44 N ATOM 539 CA LEU A 36 3.784 -15.134 -11.638 1.00 54.22 C ATOM 540 C LEU A 36 3.023 -13.863 -11.273 1.00 22.13 C ATOM 541 O LEU A 36 3.598 -12.915 -10.739 1.00 70.30 O ATOM 542 CB LEU A 36 5.227 -14.789 -12.008 1.00 64.31 C ATOM 543 CG LEU A 36 6.315 -15.528 -11.227 1.00 12.42 C ATOM 544 CD1 LEU A 36 7.695 -15.066 -11.667 1.00 43.31 C ATOM 545 CD2 LEU A 36 6.132 -15.318 -9.731 1.00 2.13 C ATOM 0 H LEU A 36 2.459 -15.266 -13.259 1.00 22.44 H new ATOM 0 HA LEU A 36 3.786 -15.796 -10.772 1.00 54.22 H new ATOM 0 HB2 LEU A 36 5.368 -14.993 -13.069 1.00 64.31 H new ATOM 0 HB3 LEU A 36 5.371 -13.718 -11.867 1.00 64.31 H new ATOM 0 HG LEU A 36 6.227 -16.594 -11.438 1.00 12.42 H new ATOM 0 HD11 LEU A 36 8.456 -15.603 -11.101 1.00 43.31 H new ATOM 0 HD12 LEU A 36 7.824 -15.268 -12.730 1.00 43.31 H new ATOM 0 HD13 LEU A 36 7.795 -13.996 -11.486 1.00 43.31 H new ATOM 0 HD21 LEU A 36 6.914 -15.851 -9.190 1.00 2.13 H new ATOM 0 HD22 LEU A 36 6.193 -14.254 -9.503 1.00 2.13 H new ATOM 0 HD23 LEU A 36 5.157 -15.699 -9.427 1.00 2.13 H new ATOM 557 N GLY A 37 1.725 -13.852 -11.562 1.00 45.13 N ATOM 558 CA GLY A 37 0.907 -12.694 -11.255 1.00 51.42 C ATOM 559 C GLY A 37 0.912 -11.668 -12.371 1.00 55.04 C ATOM 560 O GLY A 37 1.030 -10.469 -12.120 1.00 60.32 O ATOM 0 H GLY A 37 1.226 -14.624 -12.003 1.00 45.13 H new ATOM 0 HA2 GLY A 37 -0.117 -13.016 -11.066 1.00 51.42 H new ATOM 0 HA3 GLY A 37 1.269 -12.230 -10.338 1.00 51.42 H new ATOM 564 N GLU A 38 0.784 -12.140 -13.607 1.00 71.25 N ATOM 565 CA GLU A 38 0.777 -11.254 -14.766 1.00 33.52 C ATOM 566 C GLU A 38 -0.012 -11.871 -15.918 1.00 23.54 C ATOM 567 O GLU A 38 -0.076 -13.093 -16.057 1.00 71.12 O ATOM 568 CB GLU A 38 2.208 -10.955 -15.216 1.00 21.22 C ATOM 569 CG GLU A 38 2.385 -9.562 -15.796 1.00 2.15 C ATOM 570 CD GLU A 38 2.696 -8.524 -14.735 1.00 4.12 C ATOM 571 OE1 GLU A 38 3.449 -8.846 -13.792 1.00 0.51 O ATOM 572 OE2 GLU A 38 2.187 -7.389 -14.848 1.00 72.34 O ATOM 0 H GLU A 38 0.684 -13.130 -13.832 1.00 71.25 H new ATOM 0 HA GLU A 38 0.293 -10.322 -14.475 1.00 33.52 H new ATOM 0 HB2 GLU A 38 2.880 -11.073 -14.366 1.00 21.22 H new ATOM 0 HB3 GLU A 38 2.506 -11.691 -15.963 1.00 21.22 H new ATOM 0 HG2 GLU A 38 3.190 -9.578 -16.531 1.00 2.15 H new ATOM 0 HG3 GLU A 38 1.476 -9.275 -16.325 1.00 2.15 H new ATOM 579 N LYS A 39 -0.611 -11.018 -16.741 1.00 10.23 N ATOM 580 CA LYS A 39 -1.395 -11.476 -17.881 1.00 71.42 C ATOM 581 C LYS A 39 -0.855 -10.893 -19.183 1.00 25.21 C ATOM 582 O LYS A 39 -1.009 -9.701 -19.452 1.00 65.12 O ATOM 583 CB LYS A 39 -2.864 -11.086 -17.706 1.00 54.24 C ATOM 584 CG LYS A 39 -3.791 -11.733 -18.721 1.00 43.24 C ATOM 585 CD LYS A 39 -5.133 -11.023 -18.784 1.00 3.22 C ATOM 586 CE LYS A 39 -5.727 -11.076 -20.183 1.00 32.53 C ATOM 587 NZ LYS A 39 -6.441 -12.359 -20.433 1.00 62.33 N ATOM 0 H LYS A 39 -0.568 -10.004 -16.639 1.00 10.23 H new ATOM 0 HA LYS A 39 -1.317 -12.562 -17.930 1.00 71.42 H new ATOM 0 HB2 LYS A 39 -3.188 -11.363 -16.703 1.00 54.24 H new ATOM 0 HB3 LYS A 39 -2.955 -10.002 -17.782 1.00 54.24 H new ATOM 0 HG2 LYS A 39 -3.323 -11.716 -19.705 1.00 43.24 H new ATOM 0 HG3 LYS A 39 -3.944 -12.780 -18.459 1.00 43.24 H new ATOM 0 HD2 LYS A 39 -5.823 -11.484 -18.077 1.00 3.22 H new ATOM 0 HD3 LYS A 39 -5.011 -9.984 -18.479 1.00 3.22 H new ATOM 0 HE2 LYS A 39 -6.418 -10.244 -20.316 1.00 32.53 H new ATOM 0 HE3 LYS A 39 -4.933 -10.952 -20.920 1.00 32.53 H new ATOM 0 HZ1 LYS A 39 -6.832 -12.357 -21.397 1.00 62.33 H new ATOM 0 HZ2 LYS A 39 -5.776 -13.152 -20.331 1.00 62.33 H new ATOM 0 HZ3 LYS A 39 -7.215 -12.465 -19.746 1.00 62.33 H new ATOM 601 N LEU A 40 -0.222 -11.740 -19.988 1.00 34.13 N ATOM 602 CA LEU A 40 0.340 -11.309 -21.263 1.00 12.12 C ATOM 603 C LEU A 40 0.080 -12.345 -22.351 1.00 75.41 C ATOM 604 O LEU A 40 -0.295 -13.483 -22.064 1.00 55.12 O ATOM 605 CB LEU A 40 1.844 -11.066 -21.123 1.00 54.45 C ATOM 606 CG LEU A 40 2.270 -10.129 -19.993 1.00 0.14 C ATOM 607 CD1 LEU A 40 3.785 -10.107 -19.860 1.00 51.03 C ATOM 608 CD2 LEU A 40 1.733 -8.725 -20.232 1.00 23.22 C ATOM 0 H LEU A 40 -0.085 -12.729 -19.780 1.00 34.13 H new ATOM 0 HA LEU A 40 -0.148 -10.378 -21.551 1.00 12.12 H new ATOM 0 HB2 LEU A 40 2.335 -12.028 -20.975 1.00 54.45 H new ATOM 0 HB3 LEU A 40 2.215 -10.660 -22.064 1.00 54.45 H new ATOM 0 HG LEU A 40 1.849 -10.503 -19.060 1.00 0.14 H new ATOM 0 HD11 LEU A 40 4.069 -9.435 -19.051 1.00 51.03 H new ATOM 0 HD12 LEU A 40 4.146 -11.112 -19.641 1.00 51.03 H new ATOM 0 HD13 LEU A 40 4.227 -9.759 -20.793 1.00 51.03 H new ATOM 0 HD21 LEU A 40 2.046 -8.072 -19.417 1.00 23.22 H new ATOM 0 HD22 LEU A 40 2.123 -8.342 -21.175 1.00 23.22 H new ATOM 0 HD23 LEU A 40 0.644 -8.754 -20.275 1.00 23.22 H new ATOM 620 N THR A 41 0.283 -11.946 -23.603 1.00 11.12 N ATOM 621 CA THR A 41 0.072 -12.840 -24.734 1.00 55.33 C ATOM 622 C THR A 41 1.329 -13.646 -25.041 1.00 14.24 C ATOM 623 O THR A 41 2.443 -13.210 -24.752 1.00 10.44 O ATOM 624 CB THR A 41 -0.345 -12.060 -25.996 1.00 22.11 C ATOM 625 OG1 THR A 41 0.778 -11.345 -26.523 1.00 3.14 O ATOM 626 CG2 THR A 41 -1.471 -11.087 -25.683 1.00 52.34 C ATOM 0 H THR A 41 0.594 -11.009 -23.859 1.00 11.12 H new ATOM 0 HA THR A 41 -0.732 -13.520 -24.453 1.00 55.33 H new ATOM 0 HB THR A 41 -0.700 -12.775 -26.738 1.00 22.11 H new ATOM 0 HG1 THR A 41 0.505 -10.853 -27.326 1.00 3.14 H new ATOM 0 HG21 THR A 41 -1.748 -10.548 -26.589 1.00 52.34 H new ATOM 0 HG22 THR A 41 -2.334 -11.638 -25.310 1.00 52.34 H new ATOM 0 HG23 THR A 41 -1.138 -10.377 -24.926 1.00 52.34 H new ATOM 634 N ASP A 42 1.142 -14.823 -25.627 1.00 44.14 N ATOM 635 CA ASP A 42 2.263 -15.690 -25.975 1.00 15.32 C ATOM 636 C ASP A 42 3.297 -14.935 -26.804 1.00 11.11 C ATOM 637 O ASP A 42 4.495 -15.195 -26.703 1.00 45.35 O ATOM 638 CB ASP A 42 1.767 -16.914 -26.746 1.00 64.21 C ATOM 639 CG ASP A 42 1.164 -17.966 -25.837 1.00 30.34 C ATOM 640 OD1 ASP A 42 1.340 -17.858 -24.605 1.00 2.12 O ATOM 641 OD2 ASP A 42 0.515 -18.898 -26.356 1.00 52.44 O ATOM 0 H ASP A 42 0.226 -15.199 -25.871 1.00 44.14 H new ATOM 0 HA ASP A 42 2.737 -16.020 -25.050 1.00 15.32 H new ATOM 0 HB2 ASP A 42 1.023 -16.601 -27.478 1.00 64.21 H new ATOM 0 HB3 ASP A 42 2.597 -17.351 -27.301 1.00 64.21 H new ATOM 646 N GLU A 43 2.824 -14.001 -27.623 1.00 41.21 N ATOM 647 CA GLU A 43 3.709 -13.210 -28.471 1.00 31.22 C ATOM 648 C GLU A 43 4.508 -12.210 -27.640 1.00 62.50 C ATOM 649 O GLU A 43 5.704 -12.021 -27.860 1.00 70.52 O ATOM 650 CB GLU A 43 2.901 -12.471 -29.540 1.00 23.21 C ATOM 651 CG GLU A 43 3.548 -12.493 -30.915 1.00 1.14 C ATOM 652 CD GLU A 43 2.790 -11.660 -31.929 1.00 54.34 C ATOM 653 OE1 GLU A 43 1.611 -11.976 -32.193 1.00 75.14 O ATOM 654 OE2 GLU A 43 3.374 -10.692 -32.460 1.00 23.34 O ATOM 0 H GLU A 43 1.834 -13.773 -27.717 1.00 41.21 H new ATOM 0 HA GLU A 43 4.407 -13.891 -28.959 1.00 31.22 H new ATOM 0 HB2 GLU A 43 1.909 -12.918 -29.607 1.00 23.21 H new ATOM 0 HB3 GLU A 43 2.764 -11.435 -29.229 1.00 23.21 H new ATOM 0 HG2 GLU A 43 4.570 -12.123 -30.837 1.00 1.14 H new ATOM 0 HG3 GLU A 43 3.608 -13.523 -31.268 1.00 1.14 H new ATOM 661 N GLU A 44 3.838 -11.573 -26.685 1.00 74.23 N ATOM 662 CA GLU A 44 4.485 -10.592 -25.823 1.00 2.13 C ATOM 663 C GLU A 44 5.511 -11.261 -24.912 1.00 42.34 C ATOM 664 O GLU A 44 6.568 -10.697 -24.630 1.00 45.32 O ATOM 665 CB GLU A 44 3.443 -9.855 -24.980 1.00 12.55 C ATOM 666 CG GLU A 44 3.392 -8.359 -25.245 1.00 25.31 C ATOM 667 CD GLU A 44 2.096 -7.927 -25.902 1.00 0.33 C ATOM 668 OE1 GLU A 44 1.077 -7.818 -25.189 1.00 13.52 O ATOM 669 OE2 GLU A 44 2.101 -7.697 -27.129 1.00 45.03 O ATOM 0 H GLU A 44 2.848 -11.719 -26.489 1.00 74.23 H new ATOM 0 HA GLU A 44 5.002 -9.873 -26.458 1.00 2.13 H new ATOM 0 HB2 GLU A 44 2.460 -10.284 -25.176 1.00 12.55 H new ATOM 0 HB3 GLU A 44 3.658 -10.021 -23.925 1.00 12.55 H new ATOM 0 HG2 GLU A 44 3.514 -7.823 -24.304 1.00 25.31 H new ATOM 0 HG3 GLU A 44 4.230 -8.078 -25.883 1.00 25.31 H new ATOM 676 N VAL A 45 5.191 -12.467 -24.455 1.00 73.02 N ATOM 677 CA VAL A 45 6.083 -13.214 -23.577 1.00 45.12 C ATOM 678 C VAL A 45 7.317 -13.698 -24.331 1.00 21.01 C ATOM 679 O VAL A 45 8.437 -13.616 -23.827 1.00 22.05 O ATOM 680 CB VAL A 45 5.370 -14.426 -22.951 1.00 35.35 C ATOM 681 CG1 VAL A 45 6.325 -15.208 -22.062 1.00 60.31 C ATOM 682 CG2 VAL A 45 4.146 -13.977 -22.166 1.00 42.21 C ATOM 0 H VAL A 45 4.320 -12.948 -24.679 1.00 73.02 H new ATOM 0 HA VAL A 45 6.389 -12.533 -22.783 1.00 45.12 H new ATOM 0 HB VAL A 45 5.038 -15.084 -23.754 1.00 35.35 H new ATOM 0 HG11 VAL A 45 5.803 -16.061 -21.629 1.00 60.31 H new ATOM 0 HG12 VAL A 45 7.168 -15.562 -22.656 1.00 60.31 H new ATOM 0 HG13 VAL A 45 6.690 -14.562 -21.263 1.00 60.31 H new ATOM 0 HG21 VAL A 45 3.654 -14.847 -21.730 1.00 42.21 H new ATOM 0 HG22 VAL A 45 4.453 -13.297 -21.371 1.00 42.21 H new ATOM 0 HG23 VAL A 45 3.453 -13.465 -22.834 1.00 42.21 H new ATOM 692 N ASP A 46 7.104 -14.202 -25.541 1.00 71.13 N ATOM 693 CA ASP A 46 8.199 -14.699 -26.367 1.00 11.55 C ATOM 694 C ASP A 46 9.304 -13.654 -26.489 1.00 53.34 C ATOM 695 O ASP A 46 10.488 -13.988 -26.507 1.00 74.42 O ATOM 696 CB ASP A 46 7.686 -15.082 -27.755 1.00 71.04 C ATOM 697 CG ASP A 46 8.304 -16.369 -28.266 1.00 41.41 C ATOM 698 OD1 ASP A 46 9.515 -16.365 -28.572 1.00 1.10 O ATOM 699 OD2 ASP A 46 7.577 -17.380 -28.359 1.00 43.40 O ATOM 0 H ASP A 46 6.183 -14.277 -25.972 1.00 71.13 H new ATOM 0 HA ASP A 46 8.613 -15.585 -25.885 1.00 11.55 H new ATOM 0 HB2 ASP A 46 6.602 -15.191 -27.721 1.00 71.04 H new ATOM 0 HB3 ASP A 46 7.903 -14.275 -28.455 1.00 71.04 H new ATOM 704 N GLU A 47 8.907 -12.388 -26.575 1.00 2.32 N ATOM 705 CA GLU A 47 9.865 -11.295 -26.698 1.00 55.31 C ATOM 706 C GLU A 47 10.579 -11.046 -25.373 1.00 43.50 C ATOM 707 O GLU A 47 11.794 -10.853 -25.338 1.00 23.21 O ATOM 708 CB GLU A 47 9.158 -10.018 -27.157 1.00 51.50 C ATOM 709 CG GLU A 47 10.111 -8.888 -27.510 1.00 72.02 C ATOM 710 CD GLU A 47 9.454 -7.813 -28.355 1.00 22.42 C ATOM 711 OE1 GLU A 47 8.370 -8.079 -28.914 1.00 74.40 O ATOM 712 OE2 GLU A 47 10.024 -6.707 -28.457 1.00 24.21 O ATOM 0 H GLU A 47 7.930 -12.094 -26.562 1.00 2.32 H new ATOM 0 HA GLU A 47 10.608 -11.579 -27.443 1.00 55.31 H new ATOM 0 HB2 GLU A 47 8.541 -10.247 -28.026 1.00 51.50 H new ATOM 0 HB3 GLU A 47 8.485 -9.682 -26.368 1.00 51.50 H new ATOM 0 HG2 GLU A 47 10.494 -8.441 -26.593 1.00 72.02 H new ATOM 0 HG3 GLU A 47 10.968 -9.295 -28.048 1.00 72.02 H new ATOM 719 N MET A 48 9.815 -11.050 -24.285 1.00 44.05 N ATOM 720 CA MET A 48 10.375 -10.825 -22.958 1.00 24.11 C ATOM 721 C MET A 48 11.523 -11.791 -22.681 1.00 32.30 C ATOM 722 O MET A 48 12.500 -11.436 -22.021 1.00 72.01 O ATOM 723 CB MET A 48 9.291 -10.983 -21.890 1.00 62.22 C ATOM 724 CG MET A 48 8.910 -9.677 -21.213 1.00 51.32 C ATOM 725 SD MET A 48 10.284 -8.935 -20.311 1.00 35.34 S ATOM 726 CE MET A 48 10.741 -10.283 -19.223 1.00 73.00 C ATOM 0 H MET A 48 8.807 -11.207 -24.297 1.00 44.05 H new ATOM 0 HA MET A 48 10.764 -9.807 -22.923 1.00 24.11 H new ATOM 0 HB2 MET A 48 8.403 -11.418 -22.347 1.00 62.22 H new ATOM 0 HB3 MET A 48 9.638 -11.687 -21.134 1.00 62.22 H new ATOM 0 HG2 MET A 48 8.552 -8.974 -21.965 1.00 51.32 H new ATOM 0 HG3 MET A 48 8.084 -9.856 -20.525 1.00 51.32 H new ATOM 0 HE1 MET A 48 11.665 -10.032 -18.701 1.00 73.00 H new ATOM 0 HE2 MET A 48 9.947 -10.449 -18.495 1.00 73.00 H new ATOM 0 HE3 MET A 48 10.890 -11.189 -19.810 1.00 73.00 H new ATOM 736 N ILE A 49 11.397 -13.013 -23.189 1.00 3.23 N ATOM 737 CA ILE A 49 12.425 -14.029 -22.996 1.00 54.20 C ATOM 738 C ILE A 49 13.681 -13.698 -23.794 1.00 23.02 C ATOM 739 O ILE A 49 14.791 -14.059 -23.402 1.00 31.54 O ATOM 740 CB ILE A 49 11.921 -15.424 -23.409 1.00 35.33 C ATOM 741 CG1 ILE A 49 10.654 -15.784 -22.629 1.00 62.31 C ATOM 742 CG2 ILE A 49 13.004 -16.468 -23.181 1.00 1.44 C ATOM 743 CD1 ILE A 49 10.002 -17.067 -23.095 1.00 72.02 C ATOM 0 H ILE A 49 10.594 -13.323 -23.737 1.00 3.23 H new ATOM 0 HA ILE A 49 12.665 -14.038 -21.933 1.00 54.20 H new ATOM 0 HB ILE A 49 11.679 -15.406 -24.472 1.00 35.33 H new ATOM 0 HG12 ILE A 49 10.902 -15.875 -21.571 1.00 62.31 H new ATOM 0 HG13 ILE A 49 9.937 -14.968 -22.719 1.00 62.31 H new ATOM 0 HG21 ILE A 49 12.632 -17.449 -23.478 1.00 1.44 H new ATOM 0 HG22 ILE A 49 13.882 -16.217 -23.776 1.00 1.44 H new ATOM 0 HG23 ILE A 49 13.275 -16.487 -22.125 1.00 1.44 H new ATOM 0 HD11 ILE A 49 9.110 -17.260 -22.498 1.00 72.02 H new ATOM 0 HD12 ILE A 49 9.723 -16.973 -24.144 1.00 72.02 H new ATOM 0 HD13 ILE A 49 10.702 -17.894 -22.979 1.00 72.02 H new ATOM 755 N ARG A 50 13.499 -13.007 -24.915 1.00 24.25 N ATOM 756 CA ARG A 50 14.619 -12.627 -25.768 1.00 12.33 C ATOM 757 C ARG A 50 15.638 -11.798 -24.990 1.00 74.35 C ATOM 758 O ARG A 50 16.838 -11.874 -25.248 1.00 44.42 O ATOM 759 CB ARG A 50 14.119 -11.836 -26.978 1.00 42.30 C ATOM 760 CG ARG A 50 14.817 -12.205 -28.277 1.00 11.30 C ATOM 761 CD ARG A 50 14.215 -11.466 -29.462 1.00 71.11 C ATOM 762 NE ARG A 50 14.927 -11.753 -30.705 1.00 14.13 N ATOM 763 CZ ARG A 50 14.529 -11.320 -31.896 1.00 21.10 C ATOM 764 NH1 ARG A 50 13.432 -10.584 -32.005 1.00 74.33 N ATOM 765 NH2 ARG A 50 15.230 -11.623 -32.981 1.00 43.30 N ATOM 0 H ARG A 50 12.587 -12.699 -25.253 1.00 24.25 H new ATOM 0 HA ARG A 50 15.106 -13.539 -26.114 1.00 12.33 H new ATOM 0 HB2 ARG A 50 13.048 -12.001 -27.092 1.00 42.30 H new ATOM 0 HB3 ARG A 50 14.260 -10.772 -26.789 1.00 42.30 H new ATOM 0 HG2 ARG A 50 15.878 -11.969 -28.201 1.00 11.30 H new ATOM 0 HG3 ARG A 50 14.740 -13.280 -28.440 1.00 11.30 H new ATOM 0 HD2 ARG A 50 13.168 -11.748 -29.571 1.00 71.11 H new ATOM 0 HD3 ARG A 50 14.238 -10.393 -29.270 1.00 71.11 H new ATOM 0 HE ARG A 50 15.776 -12.316 -30.656 1.00 14.13 H new ATOM 0 HH11 ARG A 50 12.891 -10.349 -31.173 1.00 74.33 H new ATOM 0 HH12 ARG A 50 13.129 -10.253 -32.921 1.00 74.33 H new ATOM 0 HH21 ARG A 50 16.075 -12.189 -32.901 1.00 43.30 H new ATOM 0 HH22 ARG A 50 14.924 -11.290 -33.895 1.00 43.30 H new ATOM 779 N GLU A 51 15.149 -11.009 -24.039 1.00 52.22 N ATOM 780 CA GLU A 51 16.017 -10.166 -23.226 1.00 43.31 C ATOM 781 C GLU A 51 16.518 -10.923 -22.000 1.00 30.33 C ATOM 782 O GLU A 51 17.674 -10.784 -21.600 1.00 74.43 O ATOM 783 CB GLU A 51 15.275 -8.901 -22.790 1.00 33.02 C ATOM 784 CG GLU A 51 15.086 -7.890 -23.908 1.00 53.11 C ATOM 785 CD GLU A 51 14.770 -6.500 -23.391 1.00 12.04 C ATOM 786 OE1 GLU A 51 15.637 -5.909 -22.713 1.00 54.31 O ATOM 787 OE2 GLU A 51 13.657 -6.004 -23.663 1.00 13.24 O ATOM 0 H GLU A 51 14.157 -10.936 -23.813 1.00 52.22 H new ATOM 0 HA GLU A 51 16.877 -9.883 -23.833 1.00 43.31 H new ATOM 0 HB2 GLU A 51 14.298 -9.181 -22.396 1.00 33.02 H new ATOM 0 HB3 GLU A 51 15.825 -8.430 -21.975 1.00 33.02 H new ATOM 0 HG2 GLU A 51 15.991 -7.851 -24.514 1.00 53.11 H new ATOM 0 HG3 GLU A 51 14.279 -8.223 -24.561 1.00 53.11 H new ATOM 794 N ALA A 52 15.639 -11.724 -21.407 1.00 32.33 N ATOM 795 CA ALA A 52 15.991 -12.505 -20.227 1.00 71.02 C ATOM 796 C ALA A 52 17.268 -13.306 -20.460 1.00 14.10 C ATOM 797 O ALA A 52 18.028 -13.565 -19.527 1.00 40.20 O ATOM 798 CB ALA A 52 14.846 -13.432 -19.847 1.00 20.12 C ATOM 0 H ALA A 52 14.678 -11.849 -21.724 1.00 32.33 H new ATOM 0 HA ALA A 52 16.172 -11.813 -19.404 1.00 71.02 H new ATOM 0 HB1 ALA A 52 15.123 -14.009 -18.965 1.00 20.12 H new ATOM 0 HB2 ALA A 52 13.956 -12.841 -19.630 1.00 20.12 H new ATOM 0 HB3 ALA A 52 14.638 -14.111 -20.674 1.00 20.12 H new ATOM 804 N ASP A 53 17.496 -13.696 -21.709 1.00 42.11 N ATOM 805 CA ASP A 53 18.682 -14.467 -22.064 1.00 74.44 C ATOM 806 C ASP A 53 19.591 -13.669 -22.993 1.00 60.45 C ATOM 807 O ASP A 53 19.547 -13.834 -24.213 1.00 20.30 O ATOM 808 CB ASP A 53 18.279 -15.783 -22.731 1.00 74.45 C ATOM 809 CG ASP A 53 17.097 -15.620 -23.667 1.00 34.33 C ATOM 810 OD1 ASP A 53 17.093 -14.652 -24.456 1.00 10.25 O ATOM 811 OD2 ASP A 53 16.176 -16.462 -23.611 1.00 13.54 O ATOM 0 H ASP A 53 16.876 -13.491 -22.492 1.00 42.11 H new ATOM 0 HA ASP A 53 19.231 -14.686 -21.148 1.00 74.44 H new ATOM 0 HB2 ASP A 53 19.128 -16.179 -23.288 1.00 74.45 H new ATOM 0 HB3 ASP A 53 18.032 -16.516 -21.963 1.00 74.45 H new ATOM 816 N ILE A 54 20.413 -12.804 -22.409 1.00 31.40 N ATOM 817 CA ILE A 54 21.332 -11.981 -23.185 1.00 23.23 C ATOM 818 C ILE A 54 22.217 -12.841 -24.081 1.00 42.31 C ATOM 819 O ILE A 54 22.672 -12.394 -25.134 1.00 41.31 O ATOM 820 CB ILE A 54 22.227 -11.122 -22.271 1.00 74.32 C ATOM 821 CG1 ILE A 54 23.193 -10.283 -23.110 1.00 31.13 C ATOM 822 CG2 ILE A 54 22.992 -12.005 -21.297 1.00 33.51 C ATOM 823 CD1 ILE A 54 23.881 -9.189 -22.324 1.00 53.42 C ATOM 0 H ILE A 54 20.461 -12.655 -21.401 1.00 31.40 H new ATOM 0 HA ILE A 54 20.721 -11.324 -23.804 1.00 23.23 H new ATOM 0 HB ILE A 54 21.593 -10.446 -21.697 1.00 74.32 H new ATOM 0 HG12 ILE A 54 23.949 -10.938 -23.543 1.00 31.13 H new ATOM 0 HG13 ILE A 54 22.646 -9.835 -23.939 1.00 31.13 H new ATOM 0 HG21 ILE A 54 23.620 -11.383 -20.658 1.00 33.51 H new ATOM 0 HG22 ILE A 54 22.287 -12.563 -20.681 1.00 33.51 H new ATOM 0 HG23 ILE A 54 23.618 -12.702 -21.853 1.00 33.51 H new ATOM 0 HD11 ILE A 54 24.551 -8.635 -22.982 1.00 53.42 H new ATOM 0 HD12 ILE A 54 23.133 -8.511 -21.913 1.00 53.42 H new ATOM 0 HD13 ILE A 54 24.456 -9.632 -21.511 1.00 53.42 H new ATOM 835 N ASP A 55 22.456 -14.077 -23.657 1.00 52.11 N ATOM 836 CA ASP A 55 23.284 -15.001 -24.423 1.00 30.33 C ATOM 837 C ASP A 55 22.616 -15.360 -25.747 1.00 23.35 C ATOM 838 O ASP A 55 23.287 -15.706 -26.718 1.00 61.30 O ATOM 839 CB ASP A 55 23.552 -16.270 -23.612 1.00 65.21 C ATOM 840 CG ASP A 55 23.794 -15.979 -22.144 1.00 1.00 C ATOM 841 OD1 ASP A 55 24.664 -15.135 -21.841 1.00 55.24 O ATOM 842 OD2 ASP A 55 23.113 -16.595 -21.298 1.00 1.44 O ATOM 0 H ASP A 55 22.088 -14.462 -22.787 1.00 52.11 H new ATOM 0 HA ASP A 55 24.232 -14.509 -24.637 1.00 30.33 H new ATOM 0 HB2 ASP A 55 22.703 -16.946 -23.710 1.00 65.21 H new ATOM 0 HB3 ASP A 55 24.419 -16.785 -24.025 1.00 65.21 H new ATOM 847 N GLY A 56 21.290 -15.276 -25.777 1.00 34.34 N ATOM 848 CA GLY A 56 20.553 -15.597 -26.985 1.00 42.44 C ATOM 849 C GLY A 56 19.714 -16.851 -26.838 1.00 43.52 C ATOM 850 O GLY A 56 18.846 -16.926 -25.969 1.00 12.11 O ATOM 0 H GLY A 56 20.713 -14.991 -24.986 1.00 34.34 H new ATOM 0 HA2 GLY A 56 19.906 -14.759 -27.245 1.00 42.44 H new ATOM 0 HA3 GLY A 56 21.253 -15.727 -27.810 1.00 42.44 H new ATOM 854 N ASP A 57 19.973 -17.836 -27.690 1.00 75.42 N ATOM 855 CA ASP A 57 19.234 -19.093 -27.652 1.00 20.33 C ATOM 856 C ASP A 57 19.941 -20.112 -26.762 1.00 55.42 C ATOM 857 O ASP A 57 20.295 -21.202 -27.209 1.00 53.44 O ATOM 858 CB ASP A 57 19.071 -19.657 -29.064 1.00 62.30 C ATOM 859 CG ASP A 57 18.009 -20.736 -29.138 1.00 35.13 C ATOM 860 OD1 ASP A 57 16.862 -20.469 -28.720 1.00 70.50 O ATOM 861 OD2 ASP A 57 18.323 -21.847 -29.614 1.00 1.42 O ATOM 0 H ASP A 57 20.689 -17.789 -28.415 1.00 75.42 H new ATOM 0 HA ASP A 57 18.248 -18.893 -27.233 1.00 20.33 H new ATOM 0 HB2 ASP A 57 18.811 -18.848 -29.747 1.00 62.30 H new ATOM 0 HB3 ASP A 57 20.024 -20.065 -29.401 1.00 62.30 H new ATOM 866 N GLY A 58 20.143 -19.747 -25.500 1.00 23.34 N ATOM 867 CA GLY A 58 20.808 -20.640 -24.568 1.00 13.43 C ATOM 868 C GLY A 58 19.999 -20.866 -23.306 1.00 25.25 C ATOM 869 O GLY A 58 18.972 -21.542 -23.333 1.00 34.30 O ATOM 0 H GLY A 58 19.859 -18.850 -25.106 1.00 23.34 H new ATOM 0 HA2 GLY A 58 20.991 -21.598 -25.055 1.00 13.43 H new ATOM 0 HA3 GLY A 58 21.781 -20.226 -24.303 1.00 13.43 H new ATOM 873 N GLN A 59 20.466 -20.301 -22.197 1.00 32.14 N ATOM 874 CA GLN A 59 19.780 -20.448 -20.918 1.00 54.34 C ATOM 875 C GLN A 59 19.709 -19.114 -20.182 1.00 42.23 C ATOM 876 O GLN A 59 20.451 -18.182 -20.493 1.00 11.42 O ATOM 877 CB GLN A 59 20.491 -21.486 -20.050 1.00 24.23 C ATOM 878 CG GLN A 59 20.020 -22.911 -20.295 1.00 43.52 C ATOM 879 CD GLN A 59 20.345 -23.840 -19.142 1.00 51.41 C ATOM 880 OE1 GLN A 59 21.470 -23.858 -18.642 1.00 42.04 O ATOM 881 NE2 GLN A 59 19.358 -24.618 -18.712 1.00 43.54 N ATOM 0 H GLN A 59 21.316 -19.738 -22.158 1.00 32.14 H new ATOM 0 HA GLN A 59 18.763 -20.787 -21.117 1.00 54.34 H new ATOM 0 HB2 GLN A 59 21.563 -21.430 -20.236 1.00 24.23 H new ATOM 0 HB3 GLN A 59 20.336 -21.237 -19.000 1.00 24.23 H new ATOM 0 HG2 GLN A 59 18.943 -22.910 -20.463 1.00 43.52 H new ATOM 0 HG3 GLN A 59 20.484 -23.291 -21.205 1.00 43.52 H new ATOM 0 HE21 GLN A 59 18.441 -24.570 -19.156 1.00 43.54 H new ATOM 0 HE22 GLN A 59 19.517 -25.263 -17.938 1.00 43.54 H new ATOM 890 N VAL A 60 18.812 -19.029 -19.205 1.00 60.40 N ATOM 891 CA VAL A 60 18.645 -17.810 -18.424 1.00 10.22 C ATOM 892 C VAL A 60 19.423 -17.885 -17.115 1.00 1.31 C ATOM 893 O VAL A 60 19.368 -18.888 -16.405 1.00 65.13 O ATOM 894 CB VAL A 60 17.161 -17.542 -18.111 1.00 73.24 C ATOM 895 CG1 VAL A 60 17.006 -16.257 -17.313 1.00 22.05 C ATOM 896 CG2 VAL A 60 16.349 -17.482 -19.396 1.00 53.23 C ATOM 0 H VAL A 60 18.189 -19.791 -18.936 1.00 60.40 H new ATOM 0 HA VAL A 60 19.035 -16.991 -19.029 1.00 10.22 H new ATOM 0 HB VAL A 60 16.781 -18.365 -17.505 1.00 73.24 H new ATOM 0 HG11 VAL A 60 15.951 -16.085 -17.102 1.00 22.05 H new ATOM 0 HG12 VAL A 60 17.555 -16.343 -16.375 1.00 22.05 H new ATOM 0 HG13 VAL A 60 17.402 -15.421 -17.889 1.00 22.05 H new ATOM 0 HG21 VAL A 60 15.303 -17.292 -19.157 1.00 53.23 H new ATOM 0 HG22 VAL A 60 16.728 -16.680 -20.029 1.00 53.23 H new ATOM 0 HG23 VAL A 60 16.434 -18.432 -19.925 1.00 53.23 H new ATOM 906 N ASN A 61 20.147 -16.815 -16.801 1.00 60.12 N ATOM 907 CA ASN A 61 20.937 -16.759 -15.577 1.00 22.43 C ATOM 908 C ASN A 61 20.081 -16.308 -14.397 1.00 44.42 C ATOM 909 O ASN A 61 19.274 -15.387 -14.520 1.00 15.54 O ATOM 910 CB ASN A 61 22.124 -15.810 -15.753 1.00 52.25 C ATOM 911 CG ASN A 61 22.701 -15.860 -17.155 1.00 73.21 C ATOM 912 OD1 ASN A 61 22.094 -15.366 -18.106 1.00 24.40 O ATOM 913 ND2 ASN A 61 23.878 -16.459 -17.289 1.00 22.32 N ATOM 0 H ASN A 61 20.203 -15.975 -17.378 1.00 60.12 H new ATOM 0 HA ASN A 61 21.311 -17.762 -15.370 1.00 22.43 H new ATOM 0 HB2 ASN A 61 21.808 -14.791 -15.529 1.00 52.25 H new ATOM 0 HB3 ASN A 61 22.901 -16.067 -15.034 1.00 52.25 H new ATOM 0 HD21 ASN A 61 24.316 -16.524 -18.208 1.00 22.32 H new ATOM 0 HD22 ASN A 61 24.345 -16.854 -16.473 1.00 22.32 H new ATOM 920 N TYR A 62 20.265 -16.962 -13.256 1.00 12.43 N ATOM 921 CA TYR A 62 19.509 -16.629 -12.054 1.00 53.02 C ATOM 922 C TYR A 62 19.692 -15.160 -11.684 1.00 63.31 C ATOM 923 O TYR A 62 18.845 -14.567 -11.018 1.00 52.33 O ATOM 924 CB TYR A 62 19.945 -17.518 -10.889 1.00 22.51 C ATOM 925 CG TYR A 62 19.443 -17.044 -9.544 1.00 23.01 C ATOM 926 CD1 TYR A 62 18.084 -17.020 -9.257 1.00 51.40 C ATOM 927 CD2 TYR A 62 20.328 -16.619 -8.560 1.00 71.33 C ATOM 928 CE1 TYR A 62 17.620 -16.586 -8.030 1.00 25.32 C ATOM 929 CE2 TYR A 62 19.874 -16.186 -7.330 1.00 14.21 C ATOM 930 CZ TYR A 62 18.519 -16.171 -7.069 1.00 42.05 C ATOM 931 OH TYR A 62 18.063 -15.739 -5.846 1.00 14.55 O ATOM 0 H TYR A 62 20.931 -17.726 -13.138 1.00 12.43 H new ATOM 0 HA TYR A 62 18.453 -16.804 -12.260 1.00 53.02 H new ATOM 0 HB2 TYR A 62 19.587 -18.533 -11.064 1.00 22.51 H new ATOM 0 HB3 TYR A 62 21.034 -17.563 -10.865 1.00 22.51 H new ATOM 0 HD1 TYR A 62 17.378 -17.346 -10.006 1.00 51.40 H new ATOM 0 HD2 TYR A 62 21.389 -16.628 -8.761 1.00 71.33 H new ATOM 0 HE1 TYR A 62 16.560 -16.572 -7.824 1.00 25.32 H new ATOM 0 HE2 TYR A 62 20.576 -15.861 -6.576 1.00 14.21 H new ATOM 0 HH TYR A 62 17.176 -15.337 -5.951 1.00 14.55 H new ATOM 941 N GLU A 63 20.806 -14.581 -12.122 1.00 70.21 N ATOM 942 CA GLU A 63 21.102 -13.182 -11.837 1.00 34.11 C ATOM 943 C GLU A 63 20.269 -12.259 -12.722 1.00 11.22 C ATOM 944 O GLU A 63 19.612 -11.339 -12.233 1.00 71.51 O ATOM 945 CB GLU A 63 22.591 -12.900 -12.045 1.00 51.34 C ATOM 946 CG GLU A 63 23.470 -13.404 -10.914 1.00 3.05 C ATOM 947 CD GLU A 63 24.412 -12.338 -10.387 1.00 70.33 C ATOM 948 OE1 GLU A 63 23.999 -11.161 -10.324 1.00 31.43 O ATOM 949 OE2 GLU A 63 25.561 -12.681 -10.039 1.00 43.34 O ATOM 0 H GLU A 63 21.518 -15.059 -12.675 1.00 70.21 H new ATOM 0 HA GLU A 63 20.845 -12.987 -10.796 1.00 34.11 H new ATOM 0 HB2 GLU A 63 22.913 -13.363 -12.978 1.00 51.34 H new ATOM 0 HB3 GLU A 63 22.737 -11.825 -12.156 1.00 51.34 H new ATOM 0 HG2 GLU A 63 22.839 -13.761 -10.100 1.00 3.05 H new ATOM 0 HG3 GLU A 63 24.052 -14.257 -11.263 1.00 3.05 H new ATOM 956 N ASP A 64 20.303 -12.510 -14.026 1.00 35.43 N ATOM 957 CA ASP A 64 19.551 -11.703 -14.980 1.00 2.02 C ATOM 958 C ASP A 64 18.089 -11.588 -14.562 1.00 34.44 C ATOM 959 O ASP A 64 17.564 -10.487 -14.396 1.00 30.04 O ATOM 960 CB ASP A 64 19.648 -12.309 -16.381 1.00 0.22 C ATOM 961 CG ASP A 64 19.106 -11.382 -17.451 1.00 41.11 C ATOM 962 OD1 ASP A 64 17.932 -10.969 -17.340 1.00 65.13 O ATOM 963 OD2 ASP A 64 19.856 -11.069 -18.399 1.00 52.32 O ATOM 0 H ASP A 64 20.843 -13.266 -14.447 1.00 35.43 H new ATOM 0 HA ASP A 64 19.985 -10.703 -14.994 1.00 2.02 H new ATOM 0 HB2 ASP A 64 20.689 -12.544 -16.601 1.00 0.22 H new ATOM 0 HB3 ASP A 64 19.097 -13.249 -16.406 1.00 0.22 H new ATOM 968 N PHE A 65 17.435 -12.733 -14.394 1.00 70.31 N ATOM 969 CA PHE A 65 16.032 -12.762 -13.997 1.00 40.34 C ATOM 970 C PHE A 65 15.800 -11.902 -12.758 1.00 54.14 C ATOM 971 O PHE A 65 15.040 -10.933 -12.794 1.00 65.44 O ATOM 972 CB PHE A 65 15.586 -14.200 -13.725 1.00 41.20 C ATOM 973 CG PHE A 65 14.136 -14.446 -14.030 1.00 10.44 C ATOM 974 CD1 PHE A 65 13.709 -14.620 -15.336 1.00 54.40 C ATOM 975 CD2 PHE A 65 13.200 -14.502 -13.009 1.00 61.14 C ATOM 976 CE1 PHE A 65 12.375 -14.846 -15.620 1.00 30.42 C ATOM 977 CE2 PHE A 65 11.865 -14.729 -13.287 1.00 43.00 C ATOM 978 CZ PHE A 65 11.452 -14.900 -14.594 1.00 21.12 C ATOM 0 H PHE A 65 17.855 -13.653 -14.527 1.00 70.31 H new ATOM 0 HA PHE A 65 15.440 -12.355 -14.817 1.00 40.34 H new ATOM 0 HB2 PHE A 65 16.195 -14.880 -14.321 1.00 41.20 H new ATOM 0 HB3 PHE A 65 15.774 -14.438 -12.678 1.00 41.20 H new ATOM 0 HD1 PHE A 65 14.427 -14.579 -16.142 1.00 54.40 H new ATOM 0 HD2 PHE A 65 13.517 -14.367 -11.985 1.00 61.14 H new ATOM 0 HE1 PHE A 65 12.055 -14.980 -16.643 1.00 30.42 H new ATOM 0 HE2 PHE A 65 11.145 -14.773 -12.483 1.00 43.00 H new ATOM 0 HZ PHE A 65 10.409 -15.076 -14.813 1.00 21.12 H new ATOM 988 N VAL A 66 16.459 -12.264 -11.662 1.00 54.22 N ATOM 989 CA VAL A 66 16.325 -11.526 -10.411 1.00 62.35 C ATOM 990 C VAL A 66 16.609 -10.042 -10.615 1.00 61.45 C ATOM 991 O VAL A 66 16.091 -9.196 -9.887 1.00 62.25 O ATOM 992 CB VAL A 66 17.276 -12.076 -9.332 1.00 21.04 C ATOM 993 CG1 VAL A 66 17.170 -11.253 -8.057 1.00 53.30 C ATOM 994 CG2 VAL A 66 16.978 -13.542 -9.056 1.00 14.13 C ATOM 0 H VAL A 66 17.091 -13.063 -11.615 1.00 54.22 H new ATOM 0 HA VAL A 66 15.295 -11.653 -10.077 1.00 62.35 H new ATOM 0 HB VAL A 66 18.299 -12.000 -9.701 1.00 21.04 H new ATOM 0 HG11 VAL A 66 17.849 -11.656 -7.306 1.00 53.30 H new ATOM 0 HG12 VAL A 66 17.437 -10.218 -8.269 1.00 53.30 H new ATOM 0 HG13 VAL A 66 16.148 -11.294 -7.681 1.00 53.30 H new ATOM 0 HG21 VAL A 66 17.660 -13.914 -8.291 1.00 14.13 H new ATOM 0 HG22 VAL A 66 15.950 -13.645 -8.708 1.00 14.13 H new ATOM 0 HG23 VAL A 66 17.110 -14.119 -9.971 1.00 14.13 H new ATOM 1004 N GLN A 67 17.435 -9.735 -11.611 1.00 14.13 N ATOM 1005 CA GLN A 67 17.787 -8.352 -11.910 1.00 65.23 C ATOM 1006 C GLN A 67 16.600 -7.604 -12.507 1.00 71.43 C ATOM 1007 O GLN A 67 16.251 -6.514 -12.057 1.00 1.41 O ATOM 1008 CB GLN A 67 18.973 -8.304 -12.875 1.00 42.15 C ATOM 1009 CG GLN A 67 20.238 -7.731 -12.257 1.00 41.31 C ATOM 1010 CD GLN A 67 20.485 -6.291 -12.663 1.00 23.03 C ATOM 1011 OE1 GLN A 67 19.978 -5.361 -12.035 1.00 22.23 O ATOM 1012 NE2 GLN A 67 21.269 -6.099 -13.718 1.00 35.13 N ATOM 0 H GLN A 67 17.872 -10.424 -12.223 1.00 14.13 H new ATOM 0 HA GLN A 67 18.067 -7.865 -10.976 1.00 65.23 H new ATOM 0 HB2 GLN A 67 19.179 -9.312 -13.235 1.00 42.15 H new ATOM 0 HB3 GLN A 67 18.700 -7.705 -13.744 1.00 42.15 H new ATOM 0 HG2 GLN A 67 20.167 -7.791 -11.171 1.00 41.31 H new ATOM 0 HG3 GLN A 67 21.091 -8.340 -12.555 1.00 41.31 H new ATOM 0 HE21 GLN A 67 21.668 -6.899 -14.209 1.00 35.13 H new ATOM 0 HE22 GLN A 67 21.472 -5.152 -14.037 1.00 35.13 H new ATOM 1021 N MET A 68 15.983 -8.199 -13.524 1.00 1.54 N ATOM 1022 CA MET A 68 14.834 -7.588 -14.182 1.00 33.24 C ATOM 1023 C MET A 68 13.632 -7.541 -13.243 1.00 40.42 C ATOM 1024 O MET A 68 12.903 -6.550 -13.203 1.00 5.41 O ATOM 1025 CB MET A 68 14.474 -8.364 -15.450 1.00 43.35 C ATOM 1026 CG MET A 68 14.587 -7.536 -16.721 1.00 20.43 C ATOM 1027 SD MET A 68 15.505 -8.383 -18.021 1.00 44.54 S ATOM 1028 CE MET A 68 16.253 -6.992 -18.868 1.00 32.04 C ATOM 0 H MET A 68 16.259 -9.102 -13.909 1.00 1.54 H new ATOM 0 HA MET A 68 15.102 -6.567 -14.453 1.00 33.24 H new ATOM 0 HB2 MET A 68 15.127 -9.233 -15.533 1.00 43.35 H new ATOM 0 HB3 MET A 68 13.455 -8.739 -15.360 1.00 43.35 H new ATOM 0 HG2 MET A 68 13.588 -7.296 -17.084 1.00 20.43 H new ATOM 0 HG3 MET A 68 15.078 -6.590 -16.492 1.00 20.43 H new ATOM 0 HE1 MET A 68 16.855 -7.354 -19.701 1.00 32.04 H new ATOM 0 HE2 MET A 68 15.471 -6.333 -19.245 1.00 32.04 H new ATOM 0 HE3 MET A 68 16.888 -6.442 -18.174 1.00 32.04 H new ATOM 1038 N MET A 69 13.431 -8.618 -12.491 1.00 3.51 N ATOM 1039 CA MET A 69 12.318 -8.697 -11.552 1.00 50.13 C ATOM 1040 C MET A 69 12.301 -7.485 -10.626 1.00 33.54 C ATOM 1041 O MET A 69 11.256 -6.871 -10.408 1.00 74.33 O ATOM 1042 CB MET A 69 12.408 -9.983 -10.728 1.00 43.24 C ATOM 1043 CG MET A 69 11.169 -10.857 -10.828 1.00 54.20 C ATOM 1044 SD MET A 69 9.680 -10.019 -10.250 1.00 21.40 S ATOM 1045 CE MET A 69 8.417 -10.913 -11.152 1.00 50.24 C ATOM 0 H MET A 69 14.024 -9.448 -12.513 1.00 3.51 H new ATOM 0 HA MET A 69 11.391 -8.706 -12.126 1.00 50.13 H new ATOM 0 HB2 MET A 69 13.274 -10.556 -11.058 1.00 43.24 H new ATOM 0 HB3 MET A 69 12.576 -9.724 -9.683 1.00 43.24 H new ATOM 0 HG2 MET A 69 11.029 -11.165 -11.864 1.00 54.20 H new ATOM 0 HG3 MET A 69 11.321 -11.764 -10.243 1.00 54.20 H new ATOM 0 HE1 MET A 69 7.542 -11.047 -10.516 1.00 50.24 H new ATOM 0 HE2 MET A 69 8.136 -10.348 -12.041 1.00 50.24 H new ATOM 0 HE3 MET A 69 8.803 -11.888 -11.448 1.00 50.24 H new ATOM 1055 N THR A 70 13.465 -7.146 -10.081 1.00 31.14 N ATOM 1056 CA THR A 70 13.583 -6.009 -9.176 1.00 71.32 C ATOM 1057 C THR A 70 13.442 -4.691 -9.929 1.00 20.13 C ATOM 1058 O THR A 70 12.989 -3.692 -9.371 1.00 20.34 O ATOM 1059 CB THR A 70 14.932 -6.021 -8.432 1.00 74.02 C ATOM 1060 OG1 THR A 70 15.998 -6.267 -9.355 1.00 62.22 O ATOM 1061 CG2 THR A 70 14.940 -7.084 -7.344 1.00 62.21 C ATOM 0 H THR A 70 14.340 -7.643 -10.251 1.00 31.14 H new ATOM 0 HA THR A 70 12.775 -6.097 -8.449 1.00 71.32 H new ATOM 0 HB THR A 70 15.074 -5.046 -7.966 1.00 74.02 H new ATOM 0 HG1 THR A 70 15.670 -6.153 -10.271 1.00 62.22 H new ATOM 0 HG21 THR A 70 15.902 -7.074 -6.832 1.00 62.21 H new ATOM 0 HG22 THR A 70 14.146 -6.877 -6.627 1.00 62.21 H new ATOM 0 HG23 THR A 70 14.778 -8.064 -7.792 1.00 62.21 H new ATOM 1069 N ALA A 71 13.832 -4.696 -11.199 1.00 45.31 N ATOM 1070 CA ALA A 71 13.747 -3.500 -12.029 1.00 32.32 C ATOM 1071 C ALA A 71 14.632 -2.386 -11.480 1.00 31.51 C ATOM 1072 O ALA A 71 14.288 -1.735 -10.493 1.00 64.41 O ATOM 1073 CB ALA A 71 12.303 -3.029 -12.129 1.00 24.54 C ATOM 0 H ALA A 71 14.210 -5.515 -11.676 1.00 45.31 H new ATOM 0 HA ALA A 71 14.105 -3.754 -13.027 1.00 32.32 H new ATOM 0 HB1 ALA A 71 12.254 -2.135 -12.751 1.00 24.54 H new ATOM 0 HB2 ALA A 71 11.694 -3.815 -12.575 1.00 24.54 H new ATOM 0 HB3 ALA A 71 11.926 -2.798 -11.133 1.00 24.54 H new ATOM 1079 N LYS A 72 15.774 -2.172 -12.125 1.00 33.31 N ATOM 1080 CA LYS A 72 16.709 -1.137 -11.702 1.00 40.34 C ATOM 1081 C LYS A 72 17.395 -0.499 -12.906 1.00 60.14 C ATOM 1082 O LYS A 72 18.146 0.460 -12.733 1.00 30.41 O ATOM 1083 CB LYS A 72 17.758 -1.724 -10.756 1.00 5.22 C ATOM 1084 CG LYS A 72 17.780 -1.065 -9.388 1.00 3.53 C ATOM 1085 CD LYS A 72 18.654 0.178 -9.381 1.00 44.45 C ATOM 1086 CE LYS A 72 19.993 -0.085 -8.710 1.00 23.33 C ATOM 1087 NZ LYS A 72 20.167 0.734 -7.478 1.00 71.03 N ATOM 0 H LYS A 72 16.074 -2.702 -12.943 1.00 33.31 H new ATOM 0 HA LYS A 72 16.146 -0.366 -11.176 1.00 40.34 H new ATOM 0 HB2 LYS A 72 17.568 -2.790 -10.633 1.00 5.22 H new ATOM 0 HB3 LYS A 72 18.743 -1.626 -11.213 1.00 5.22 H new ATOM 0 HG2 LYS A 72 16.764 -0.798 -9.095 1.00 3.53 H new ATOM 0 HG3 LYS A 72 18.149 -1.774 -8.647 1.00 3.53 H new ATOM 0 HD2 LYS A 72 18.819 0.514 -10.405 1.00 44.45 H new ATOM 0 HD3 LYS A 72 18.137 0.984 -8.860 1.00 44.45 H new ATOM 0 HE2 LYS A 72 20.071 -1.142 -8.457 1.00 23.33 H new ATOM 0 HE3 LYS A 72 20.799 0.136 -9.410 1.00 23.33 H new ATOM 0 HZ1 LYS A 72 21.092 0.526 -7.050 1.00 71.03 H new ATOM 0 HZ2 LYS A 72 20.118 1.744 -7.723 1.00 71.03 H new ATOM 0 HZ3 LYS A 72 19.413 0.505 -6.800 1.00 71.03 H new TER 1101 LYS A 72