USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 437 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -136:sc= 1.21 (180deg=0.856) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0.342 K(o=0.34,f=-0.56) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 40 GLN : amide:sc= -1.72! C(o=-1.7!,f=-6.3!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= -0.368 K(o=-0.37,f=-6.6!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.831 K(o=-0.83,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= -0.118 (180deg=-0.564) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0406 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.487 USER MOD Single : A 59 THR OG1 : rot 86:sc= 1.12 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0787 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 72:sc= 1.12 USER MOD Single : A 75 TYR OH : rot 180:sc=-0.00675 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 20 -0.720 1.182 -1.913 1.00 62.24 N ATOM 26 CA ASP A 20 -1.766 1.507 -2.877 1.00 22.04 C ATOM 27 C ASP A 20 -1.925 3.013 -3.030 1.00 31.22 C ATOM 28 O ASP A 20 -2.971 3.500 -3.462 1.00 53.25 O ATOM 29 CB ASP A 20 -3.094 0.878 -2.446 1.00 11.22 C ATOM 30 CG ASP A 20 -3.511 1.293 -1.049 1.00 20.52 C ATOM 31 OD1 ASP A 20 -3.091 0.625 -0.077 1.00 74.13 O ATOM 32 OD2 ASP A 20 -4.249 2.292 -0.912 1.00 11.41 O ATOM 0 HA ASP A 20 -1.473 1.098 -3.844 1.00 22.04 H new ATOM 0 HB2 ASP A 20 -3.873 1.163 -3.153 1.00 11.22 H new ATOM 0 HB3 ASP A 20 -3.008 -0.208 -2.488 1.00 11.22 H new ATOM 37 N LYS A 21 -0.877 3.749 -2.694 1.00 72.41 N ATOM 38 CA LYS A 21 -0.904 5.198 -2.817 1.00 33.23 C ATOM 39 C LYS A 21 -0.668 5.598 -4.264 1.00 53.05 C ATOM 40 O LYS A 21 0.343 5.219 -4.859 1.00 23.02 O ATOM 41 CB LYS A 21 0.153 5.850 -1.919 1.00 32.13 C ATOM 42 CG LYS A 21 0.016 5.496 -0.446 1.00 44.23 C ATOM 43 CD LYS A 21 -1.387 5.773 0.075 1.00 63.30 C ATOM 44 CE LYS A 21 -1.723 7.254 0.050 1.00 61.13 C ATOM 45 NZ LYS A 21 -3.164 7.493 0.321 1.00 52.42 N ATOM 0 H LYS A 21 -0.001 3.369 -2.336 1.00 72.41 H new ATOM 0 HA LYS A 21 -1.886 5.548 -2.497 1.00 33.23 H new ATOM 0 HB2 LYS A 21 1.143 5.550 -2.264 1.00 32.13 H new ATOM 0 HB3 LYS A 21 0.091 6.933 -2.029 1.00 32.13 H new ATOM 0 HG2 LYS A 21 0.256 4.442 -0.302 1.00 44.23 H new ATOM 0 HG3 LYS A 21 0.739 6.070 0.134 1.00 44.23 H new ATOM 0 HD2 LYS A 21 -2.112 5.227 -0.529 1.00 63.30 H new ATOM 0 HD3 LYS A 21 -1.475 5.399 1.095 1.00 63.30 H new ATOM 0 HE2 LYS A 21 -1.121 7.777 0.793 1.00 61.13 H new ATOM 0 HE3 LYS A 21 -1.461 7.671 -0.923 1.00 61.13 H new ATOM 0 HZ1 LYS A 21 -3.357 8.515 0.296 1.00 52.42 H new ATOM 0 HZ2 LYS A 21 -3.737 7.014 -0.403 1.00 52.42 H new ATOM 0 HZ3 LYS A 21 -3.408 7.117 1.260 1.00 52.42 H new ATOM 59 N ASP A 22 -1.605 6.344 -4.832 1.00 2.35 N ATOM 60 CA ASP A 22 -1.479 6.793 -6.210 1.00 15.44 C ATOM 61 C ASP A 22 -0.512 7.962 -6.304 1.00 73.13 C ATOM 62 O ASP A 22 -0.654 8.971 -5.611 1.00 41.11 O ATOM 63 CB ASP A 22 -2.843 7.152 -6.820 1.00 64.45 C ATOM 64 CG ASP A 22 -3.627 8.168 -6.013 1.00 52.41 C ATOM 65 OD1 ASP A 22 -4.305 7.764 -5.048 1.00 12.10 O ATOM 66 OD2 ASP A 22 -3.589 9.370 -6.353 1.00 33.23 O ATOM 0 H ASP A 22 -2.457 6.650 -4.362 1.00 2.35 H new ATOM 0 HA ASP A 22 -1.076 5.965 -6.793 1.00 15.44 H new ATOM 0 HB2 ASP A 22 -2.689 7.542 -7.826 1.00 64.45 H new ATOM 0 HB3 ASP A 22 -3.437 6.243 -6.918 1.00 64.45 H new ATOM 71 N LEU A 23 0.495 7.797 -7.146 1.00 41.01 N ATOM 72 CA LEU A 23 1.543 8.796 -7.304 1.00 73.54 C ATOM 73 C LEU A 23 1.239 9.721 -8.480 1.00 33.54 C ATOM 74 O LEU A 23 1.698 10.863 -8.525 1.00 12.13 O ATOM 75 CB LEU A 23 2.882 8.083 -7.519 1.00 23.30 C ATOM 76 CG LEU A 23 4.125 8.971 -7.529 1.00 72.33 C ATOM 77 CD1 LEU A 23 4.307 9.666 -6.186 1.00 23.13 C ATOM 78 CD2 LEU A 23 5.353 8.139 -7.869 1.00 60.30 C ATOM 0 H LEU A 23 0.610 6.973 -7.736 1.00 41.01 H new ATOM 0 HA LEU A 23 1.593 9.408 -6.404 1.00 73.54 H new ATOM 0 HB2 LEU A 23 3.002 7.335 -6.735 1.00 23.30 H new ATOM 0 HB3 LEU A 23 2.836 7.547 -8.467 1.00 23.30 H new ATOM 0 HG LEU A 23 3.996 9.740 -8.290 1.00 72.33 H new ATOM 0 HD11 LEU A 23 5.199 10.292 -6.218 1.00 23.13 H new ATOM 0 HD12 LEU A 23 3.435 10.286 -5.976 1.00 23.13 H new ATOM 0 HD13 LEU A 23 4.418 8.918 -5.401 1.00 23.13 H new ATOM 0 HD21 LEU A 23 6.236 8.779 -7.874 1.00 60.30 H new ATOM 0 HD22 LEU A 23 5.478 7.354 -7.123 1.00 60.30 H new ATOM 0 HD23 LEU A 23 5.226 7.688 -8.853 1.00 60.30 H new ATOM 90 N LEU A 24 0.442 9.226 -9.418 1.00 12.14 N ATOM 91 CA LEU A 24 0.142 9.956 -10.643 1.00 1.21 C ATOM 92 C LEU A 24 -1.367 10.038 -10.846 1.00 73.33 C ATOM 93 O LEU A 24 -2.120 9.347 -10.162 1.00 0.44 O ATOM 94 CB LEU A 24 0.808 9.260 -11.834 1.00 51.42 C ATOM 95 CG LEU A 24 2.330 9.125 -11.731 1.00 64.13 C ATOM 96 CD1 LEU A 24 2.858 8.180 -12.796 1.00 55.05 C ATOM 97 CD2 LEU A 24 2.998 10.489 -11.852 1.00 5.15 C ATOM 0 H LEU A 24 -0.012 8.315 -9.353 1.00 12.14 H new ATOM 0 HA LEU A 24 0.534 10.970 -10.564 1.00 1.21 H new ATOM 0 HB2 LEU A 24 0.376 8.265 -11.943 1.00 51.42 H new ATOM 0 HB3 LEU A 24 0.567 9.814 -12.741 1.00 51.42 H new ATOM 0 HG LEU A 24 2.570 8.708 -10.753 1.00 64.13 H new ATOM 0 HD11 LEU A 24 3.941 8.098 -12.705 1.00 55.05 H new ATOM 0 HD12 LEU A 24 2.408 7.196 -12.665 1.00 55.05 H new ATOM 0 HD13 LEU A 24 2.605 8.566 -13.783 1.00 55.05 H new ATOM 0 HD21 LEU A 24 4.079 10.373 -11.776 1.00 5.15 H new ATOM 0 HD22 LEU A 24 2.747 10.933 -12.815 1.00 5.15 H new ATOM 0 HD23 LEU A 24 2.646 11.139 -11.051 1.00 5.15 H new ATOM 109 N LYS A 25 -1.806 10.881 -11.778 1.00 52.54 N ATOM 110 CA LYS A 25 -3.235 11.092 -12.014 1.00 40.44 C ATOM 111 C LYS A 25 -3.630 10.685 -13.433 1.00 54.13 C ATOM 112 O LYS A 25 -3.187 11.307 -14.395 1.00 64.00 O ATOM 113 CB LYS A 25 -3.600 12.571 -11.818 1.00 44.35 C ATOM 114 CG LYS A 25 -3.359 13.125 -10.417 1.00 30.43 C ATOM 115 CD LYS A 25 -4.424 12.679 -9.423 1.00 34.53 C ATOM 116 CE LYS A 25 -4.102 11.324 -8.823 1.00 51.00 C ATOM 117 NZ LYS A 25 -5.154 10.867 -7.881 1.00 23.14 N ATOM 0 H LYS A 25 -1.194 11.429 -12.382 1.00 52.54 H new ATOM 0 HA LYS A 25 -3.773 10.473 -11.297 1.00 40.44 H new ATOM 0 HB2 LYS A 25 -3.027 13.166 -12.529 1.00 44.35 H new ATOM 0 HB3 LYS A 25 -4.653 12.704 -12.067 1.00 44.35 H new ATOM 0 HG2 LYS A 25 -2.380 12.801 -10.065 1.00 30.43 H new ATOM 0 HG3 LYS A 25 -3.339 14.214 -10.459 1.00 30.43 H new ATOM 0 HD2 LYS A 25 -4.510 13.418 -8.626 1.00 34.53 H new ATOM 0 HD3 LYS A 25 -5.392 12.635 -9.923 1.00 34.53 H new ATOM 0 HE2 LYS A 25 -3.989 10.592 -9.622 1.00 51.00 H new ATOM 0 HE3 LYS A 25 -3.147 11.377 -8.301 1.00 51.00 H new ATOM 0 HZ1 LYS A 25 -4.709 10.473 -7.028 1.00 23.14 H new ATOM 0 HZ2 LYS A 25 -5.757 11.672 -7.617 1.00 23.14 H new ATOM 0 HZ3 LYS A 25 -5.735 10.135 -8.338 1.00 23.14 H new ATOM 131 N GLY A 26 -4.475 9.657 -13.543 1.00 44.34 N ATOM 132 CA GLY A 26 -5.062 9.269 -14.824 1.00 0.04 C ATOM 133 C GLY A 26 -4.060 9.125 -15.960 1.00 34.41 C ATOM 134 O GLY A 26 -4.096 9.890 -16.927 1.00 21.31 O ATOM 0 H GLY A 26 -4.768 9.078 -12.756 1.00 44.34 H new ATOM 0 HA2 GLY A 26 -5.586 8.322 -14.697 1.00 0.04 H new ATOM 0 HA3 GLY A 26 -5.808 10.011 -15.107 1.00 0.04 H new ATOM 138 N LEU A 27 -3.179 8.142 -15.862 1.00 3.34 N ATOM 139 CA LEU A 27 -2.185 7.918 -16.903 1.00 54.23 C ATOM 140 C LEU A 27 -2.425 6.598 -17.622 1.00 53.21 C ATOM 141 O LEU A 27 -2.776 5.592 -17.001 1.00 5.44 O ATOM 142 CB LEU A 27 -0.768 7.942 -16.324 1.00 71.04 C ATOM 143 CG LEU A 27 0.034 9.215 -16.607 1.00 23.24 C ATOM 144 CD1 LEU A 27 -0.566 10.410 -15.888 1.00 44.42 C ATOM 145 CD2 LEU A 27 1.484 9.027 -16.201 1.00 24.13 C ATOM 0 H LEU A 27 -3.131 7.490 -15.079 1.00 3.34 H new ATOM 0 HA LEU A 27 -2.284 8.729 -17.624 1.00 54.23 H new ATOM 0 HB2 LEU A 27 -0.832 7.805 -15.244 1.00 71.04 H new ATOM 0 HB3 LEU A 27 -0.217 7.090 -16.721 1.00 71.04 H new ATOM 0 HG LEU A 27 -0.008 9.410 -17.679 1.00 23.24 H new ATOM 0 HD11 LEU A 27 0.024 11.300 -16.107 1.00 44.42 H new ATOM 0 HD12 LEU A 27 -1.591 10.561 -16.227 1.00 44.42 H new ATOM 0 HD13 LEU A 27 -0.562 10.228 -14.813 1.00 44.42 H new ATOM 0 HD21 LEU A 27 2.041 9.941 -16.408 1.00 24.13 H new ATOM 0 HD22 LEU A 27 1.537 8.803 -15.136 1.00 24.13 H new ATOM 0 HD23 LEU A 27 1.916 8.202 -16.767 1.00 24.13 H new ATOM 157 N ASP A 28 -2.252 6.617 -18.937 1.00 71.44 N ATOM 158 CA ASP A 28 -2.324 5.403 -19.740 1.00 62.24 C ATOM 159 C ASP A 28 -1.012 4.631 -19.613 1.00 23.43 C ATOM 160 O ASP A 28 -0.009 5.180 -19.155 1.00 54.34 O ATOM 161 CB ASP A 28 -2.596 5.752 -21.209 1.00 12.53 C ATOM 162 CG ASP A 28 -2.850 4.529 -22.073 1.00 14.33 C ATOM 163 OD1 ASP A 28 -1.878 3.964 -22.611 1.00 52.02 O ATOM 164 OD2 ASP A 28 -4.026 4.121 -22.209 1.00 43.02 O ATOM 0 H ASP A 28 -2.060 7.464 -19.472 1.00 71.44 H new ATOM 0 HA ASP A 28 -3.143 4.781 -19.378 1.00 62.24 H new ATOM 0 HB2 ASP A 28 -3.459 6.415 -21.265 1.00 12.53 H new ATOM 0 HB3 ASP A 28 -1.745 6.302 -21.609 1.00 12.53 H new ATOM 169 N GLN A 29 -1.021 3.371 -20.028 1.00 55.22 N ATOM 170 CA GLN A 29 0.155 2.514 -19.934 1.00 64.04 C ATOM 171 C GLN A 29 1.354 3.123 -20.664 1.00 2.34 C ATOM 172 O GLN A 29 2.488 3.036 -20.184 1.00 13.34 O ATOM 173 CB GLN A 29 -0.154 1.124 -20.494 1.00 4.35 C ATOM 174 CG GLN A 29 1.035 0.177 -20.468 1.00 21.22 C ATOM 175 CD GLN A 29 0.668 -1.227 -20.897 1.00 54.41 C ATOM 176 OE1 GLN A 29 0.713 -1.562 -22.083 1.00 75.51 O ATOM 177 NE2 GLN A 29 0.311 -2.063 -19.936 1.00 40.45 N ATOM 0 H GLN A 29 -1.837 2.916 -20.437 1.00 55.22 H new ATOM 0 HA GLN A 29 0.416 2.424 -18.880 1.00 64.04 H new ATOM 0 HB2 GLN A 29 -0.970 0.684 -19.921 1.00 4.35 H new ATOM 0 HB3 GLN A 29 -0.504 1.225 -21.521 1.00 4.35 H new ATOM 0 HG2 GLN A 29 1.816 0.561 -21.124 1.00 21.22 H new ATOM 0 HG3 GLN A 29 1.451 0.149 -19.461 1.00 21.22 H new ATOM 0 HE21 GLN A 29 0.287 -1.746 -18.967 1.00 40.45 H new ATOM 0 HE22 GLN A 29 0.060 -3.025 -20.164 1.00 40.45 H new ATOM 186 N GLU A 30 1.108 3.754 -21.811 1.00 50.13 N ATOM 187 CA GLU A 30 2.192 4.360 -22.584 1.00 44.34 C ATOM 188 C GLU A 30 2.799 5.551 -21.841 1.00 71.15 C ATOM 189 O GLU A 30 4.015 5.753 -21.869 1.00 74.21 O ATOM 190 CB GLU A 30 1.719 4.780 -23.981 1.00 14.43 C ATOM 191 CG GLU A 30 0.462 5.632 -23.987 1.00 24.34 C ATOM 192 CD GLU A 30 0.202 6.260 -25.338 1.00 44.42 C ATOM 193 OE1 GLU A 30 -0.209 5.539 -26.274 1.00 75.42 O ATOM 194 OE2 GLU A 30 0.406 7.483 -25.473 1.00 34.14 O ATOM 0 H GLU A 30 0.180 3.859 -22.222 1.00 50.13 H new ATOM 0 HA GLU A 30 2.966 3.603 -22.707 1.00 44.34 H new ATOM 0 HB2 GLU A 30 2.520 5.332 -24.472 1.00 14.43 H new ATOM 0 HB3 GLU A 30 1.539 3.884 -24.575 1.00 14.43 H new ATOM 0 HG2 GLU A 30 -0.392 5.017 -23.704 1.00 24.34 H new ATOM 0 HG3 GLU A 30 0.553 6.416 -23.236 1.00 24.34 H new ATOM 201 N GLN A 31 1.959 6.327 -21.165 1.00 11.22 N ATOM 202 CA GLN A 31 2.438 7.457 -20.371 1.00 31.23 C ATOM 203 C GLN A 31 3.132 6.966 -19.106 1.00 44.31 C ATOM 204 O GLN A 31 4.139 7.529 -18.676 1.00 33.10 O ATOM 205 CB GLN A 31 1.289 8.403 -20.002 1.00 64.42 C ATOM 206 CG GLN A 31 1.003 9.485 -21.038 1.00 60.12 C ATOM 207 CD GLN A 31 0.566 8.931 -22.378 1.00 2.24 C ATOM 208 OE1 GLN A 31 -0.622 8.710 -22.613 1.00 51.31 O ATOM 209 NE2 GLN A 31 1.514 8.730 -23.276 1.00 21.41 N ATOM 0 H GLN A 31 0.947 6.197 -21.149 1.00 11.22 H new ATOM 0 HA GLN A 31 3.155 8.009 -20.979 1.00 31.23 H new ATOM 0 HB2 GLN A 31 0.384 7.814 -19.851 1.00 64.42 H new ATOM 0 HB3 GLN A 31 1.520 8.881 -19.050 1.00 64.42 H new ATOM 0 HG2 GLN A 31 0.227 10.148 -20.656 1.00 60.12 H new ATOM 0 HG3 GLN A 31 1.899 10.090 -21.178 1.00 60.12 H new ATOM 0 HE21 GLN A 31 2.487 8.925 -23.042 1.00 21.41 H new ATOM 0 HE22 GLN A 31 1.272 8.379 -24.203 1.00 21.41 H new ATOM 218 N ALA A 32 2.595 5.903 -18.524 1.00 25.13 N ATOM 219 CA ALA A 32 3.159 5.325 -17.312 1.00 14.43 C ATOM 220 C ALA A 32 4.542 4.742 -17.575 1.00 4.41 C ATOM 221 O ALA A 32 5.395 4.717 -16.684 1.00 42.23 O ATOM 222 CB ALA A 32 2.231 4.258 -16.750 1.00 53.44 C ATOM 0 H ALA A 32 1.766 5.422 -18.873 1.00 25.13 H new ATOM 0 HA ALA A 32 3.263 6.122 -16.575 1.00 14.43 H new ATOM 0 HB1 ALA A 32 2.668 3.836 -15.845 1.00 53.44 H new ATOM 0 HB2 ALA A 32 1.265 4.704 -16.513 1.00 53.44 H new ATOM 0 HB3 ALA A 32 2.095 3.468 -17.489 1.00 53.44 H new ATOM 228 N ASN A 33 4.760 4.279 -18.806 1.00 65.33 N ATOM 229 CA ASN A 33 6.050 3.713 -19.200 1.00 51.14 C ATOM 230 C ASN A 33 7.159 4.748 -19.048 1.00 44.13 C ATOM 231 O ASN A 33 8.278 4.421 -18.653 1.00 24.54 O ATOM 232 CB ASN A 33 6.007 3.202 -20.644 1.00 31.24 C ATOM 233 CG ASN A 33 7.315 2.549 -21.070 1.00 32.11 C ATOM 234 OD1 ASN A 33 8.210 3.209 -21.602 1.00 62.52 O ATOM 235 ND2 ASN A 33 7.436 1.249 -20.837 1.00 42.02 N ATOM 0 H ASN A 33 4.060 4.285 -19.548 1.00 65.33 H new ATOM 0 HA ASN A 33 6.260 2.871 -18.541 1.00 51.14 H new ATOM 0 HB2 ASN A 33 5.195 2.483 -20.747 1.00 31.24 H new ATOM 0 HB3 ASN A 33 5.784 4.033 -21.314 1.00 31.24 H new ATOM 0 HD21 ASN A 33 8.292 0.761 -21.100 1.00 42.02 H new ATOM 0 HD22 ASN A 33 6.673 0.737 -20.394 1.00 42.02 H new ATOM 242 N GLU A 34 6.827 6.002 -19.336 1.00 21.41 N ATOM 243 CA GLU A 34 7.776 7.102 -19.219 1.00 31.32 C ATOM 244 C GLU A 34 8.250 7.254 -17.779 1.00 35.13 C ATOM 245 O GLU A 34 9.421 7.529 -17.519 1.00 53.22 O ATOM 246 CB GLU A 34 7.127 8.406 -19.685 1.00 63.13 C ATOM 247 CG GLU A 34 6.725 8.403 -21.150 1.00 35.00 C ATOM 248 CD GLU A 34 7.913 8.266 -22.075 1.00 2.53 C ATOM 249 OE1 GLU A 34 8.658 9.251 -22.241 1.00 55.04 O ATOM 250 OE2 GLU A 34 8.112 7.170 -22.637 1.00 35.44 O ATOM 0 H GLU A 34 5.900 6.283 -19.655 1.00 21.41 H new ATOM 0 HA GLU A 34 8.637 6.879 -19.850 1.00 31.32 H new ATOM 0 HB2 GLU A 34 6.244 8.599 -19.076 1.00 63.13 H new ATOM 0 HB3 GLU A 34 7.820 9.229 -19.510 1.00 63.13 H new ATOM 0 HG2 GLU A 34 6.031 7.583 -21.331 1.00 35.00 H new ATOM 0 HG3 GLU A 34 6.194 9.327 -21.380 1.00 35.00 H new ATOM 257 N VAL A 35 7.332 7.052 -16.845 1.00 1.23 N ATOM 258 CA VAL A 35 7.628 7.227 -15.435 1.00 54.04 C ATOM 259 C VAL A 35 8.319 5.993 -14.854 1.00 75.31 C ATOM 260 O VAL A 35 9.330 6.113 -14.163 1.00 41.34 O ATOM 261 CB VAL A 35 6.348 7.542 -14.630 1.00 52.40 C ATOM 262 CG1 VAL A 35 6.656 7.671 -13.148 1.00 65.51 C ATOM 263 CG2 VAL A 35 5.697 8.816 -15.149 1.00 5.14 C ATOM 0 H VAL A 35 6.373 6.766 -17.042 1.00 1.23 H new ATOM 0 HA VAL A 35 8.308 8.075 -15.353 1.00 54.04 H new ATOM 0 HB VAL A 35 5.652 6.714 -14.761 1.00 52.40 H new ATOM 0 HG11 VAL A 35 5.738 7.893 -12.604 1.00 65.51 H new ATOM 0 HG12 VAL A 35 7.078 6.735 -12.781 1.00 65.51 H new ATOM 0 HG13 VAL A 35 7.373 8.477 -12.994 1.00 65.51 H new ATOM 0 HG21 VAL A 35 4.796 9.025 -14.572 1.00 5.14 H new ATOM 0 HG22 VAL A 35 6.394 9.648 -15.048 1.00 5.14 H new ATOM 0 HG23 VAL A 35 5.434 8.688 -16.199 1.00 5.14 H new ATOM 273 N ILE A 36 7.792 4.805 -15.156 1.00 23.13 N ATOM 274 CA ILE A 36 8.347 3.565 -14.608 1.00 12.43 C ATOM 275 C ILE A 36 9.789 3.359 -15.075 1.00 20.34 C ATOM 276 O ILE A 36 10.601 2.757 -14.367 1.00 61.31 O ATOM 277 CB ILE A 36 7.486 2.328 -14.974 1.00 0.20 C ATOM 278 CG1 ILE A 36 7.981 1.087 -14.223 1.00 1.34 C ATOM 279 CG2 ILE A 36 7.498 2.082 -16.475 1.00 3.30 C ATOM 280 CD1 ILE A 36 7.133 -0.147 -14.452 1.00 54.25 C ATOM 0 H ILE A 36 6.989 4.675 -15.771 1.00 23.13 H new ATOM 0 HA ILE A 36 8.337 3.667 -13.523 1.00 12.43 H new ATOM 0 HB ILE A 36 6.458 2.530 -14.671 1.00 0.20 H new ATOM 0 HG12 ILE A 36 9.005 0.874 -14.529 1.00 1.34 H new ATOM 0 HG13 ILE A 36 8.006 1.306 -13.156 1.00 1.34 H new ATOM 0 HG21 ILE A 36 6.887 1.209 -16.706 1.00 3.30 H new ATOM 0 HG22 ILE A 36 7.094 2.954 -16.990 1.00 3.30 H new ATOM 0 HG23 ILE A 36 8.521 1.906 -16.807 1.00 3.30 H new ATOM 0 HD11 ILE A 36 7.547 -0.983 -13.888 1.00 54.25 H new ATOM 0 HD12 ILE A 36 6.113 0.046 -14.120 1.00 54.25 H new ATOM 0 HD13 ILE A 36 7.128 -0.393 -15.514 1.00 54.25 H new ATOM 292 N ALA A 37 10.103 3.878 -16.262 1.00 64.35 N ATOM 293 CA ALA A 37 11.464 3.840 -16.775 1.00 12.43 C ATOM 294 C ALA A 37 12.397 4.605 -15.845 1.00 5.13 C ATOM 295 O ALA A 37 13.498 4.151 -15.544 1.00 2.34 O ATOM 296 CB ALA A 37 11.523 4.413 -18.183 1.00 31.41 C ATOM 0 H ALA A 37 9.431 4.329 -16.883 1.00 64.35 H new ATOM 0 HA ALA A 37 11.790 2.801 -16.818 1.00 12.43 H new ATOM 0 HB1 ALA A 37 12.549 4.375 -18.548 1.00 31.41 H new ATOM 0 HB2 ALA A 37 10.882 3.827 -18.841 1.00 31.41 H new ATOM 0 HB3 ALA A 37 11.180 5.448 -18.169 1.00 31.41 H new ATOM 302 N VAL A 38 11.933 5.759 -15.375 1.00 14.32 N ATOM 303 CA VAL A 38 12.689 6.560 -14.421 1.00 22.30 C ATOM 304 C VAL A 38 12.914 5.793 -13.123 1.00 2.41 C ATOM 305 O VAL A 38 14.038 5.720 -12.632 1.00 41.13 O ATOM 306 CB VAL A 38 11.991 7.913 -14.126 1.00 2.43 C ATOM 307 CG1 VAL A 38 12.440 8.499 -12.794 1.00 50.31 C ATOM 308 CG2 VAL A 38 12.286 8.902 -15.239 1.00 21.41 C ATOM 0 H VAL A 38 11.034 6.160 -15.641 1.00 14.32 H new ATOM 0 HA VAL A 38 13.656 6.772 -14.877 1.00 22.30 H new ATOM 0 HB VAL A 38 10.919 7.726 -14.070 1.00 2.43 H new ATOM 0 HG11 VAL A 38 11.929 9.447 -12.623 1.00 50.31 H new ATOM 0 HG12 VAL A 38 12.196 7.805 -11.990 1.00 50.31 H new ATOM 0 HG13 VAL A 38 13.517 8.666 -12.814 1.00 50.31 H new ATOM 0 HG21 VAL A 38 11.792 9.850 -15.024 1.00 21.41 H new ATOM 0 HG22 VAL A 38 13.362 9.061 -15.308 1.00 21.41 H new ATOM 0 HG23 VAL A 38 11.916 8.506 -16.185 1.00 21.41 H new ATOM 318 N LEU A 39 11.852 5.208 -12.584 1.00 4.55 N ATOM 319 CA LEU A 39 11.944 4.455 -11.335 1.00 15.42 C ATOM 320 C LEU A 39 13.001 3.356 -11.436 1.00 2.21 C ATOM 321 O LEU A 39 13.918 3.292 -10.618 1.00 71.51 O ATOM 322 CB LEU A 39 10.586 3.848 -10.956 1.00 51.20 C ATOM 323 CG LEU A 39 9.607 4.781 -10.225 1.00 14.30 C ATOM 324 CD1 LEU A 39 10.214 5.296 -8.931 1.00 14.53 C ATOM 325 CD2 LEU A 39 9.184 5.942 -11.108 1.00 63.30 C ATOM 0 H LEU A 39 10.917 5.239 -12.990 1.00 4.55 H new ATOM 0 HA LEU A 39 12.242 5.152 -10.551 1.00 15.42 H new ATOM 0 HB2 LEU A 39 10.104 3.491 -11.866 1.00 51.20 H new ATOM 0 HB3 LEU A 39 10.764 2.976 -10.326 1.00 51.20 H new ATOM 0 HG LEU A 39 8.718 4.198 -9.984 1.00 14.30 H new ATOM 0 HD11 LEU A 39 9.503 5.954 -8.432 1.00 14.53 H new ATOM 0 HD12 LEU A 39 10.449 4.455 -8.279 1.00 14.53 H new ATOM 0 HD13 LEU A 39 11.127 5.850 -9.152 1.00 14.53 H new ATOM 0 HD21 LEU A 39 8.492 6.582 -10.561 1.00 63.30 H new ATOM 0 HD22 LEU A 39 10.063 6.520 -11.395 1.00 63.30 H new ATOM 0 HD23 LEU A 39 8.693 5.559 -12.003 1.00 63.30 H new ATOM 337 N GLN A 40 12.901 2.523 -12.463 1.00 21.31 N ATOM 338 CA GLN A 40 13.840 1.418 -12.634 1.00 64.33 C ATOM 339 C GLN A 40 15.242 1.916 -12.977 1.00 22.02 C ATOM 340 O GLN A 40 16.233 1.283 -12.619 1.00 40.05 O ATOM 341 CB GLN A 40 13.343 0.438 -13.698 1.00 42.03 C ATOM 342 CG GLN A 40 12.215 -0.462 -13.207 1.00 51.11 C ATOM 343 CD GLN A 40 12.666 -1.439 -12.130 1.00 13.44 C ATOM 344 OE1 GLN A 40 13.593 -1.167 -11.365 1.00 54.15 O ATOM 345 NE2 GLN A 40 12.012 -2.585 -12.056 1.00 42.13 N ATOM 0 H GLN A 40 12.185 2.589 -13.187 1.00 21.31 H new ATOM 0 HA GLN A 40 13.899 0.893 -11.681 1.00 64.33 H new ATOM 0 HB2 GLN A 40 12.999 0.999 -14.567 1.00 42.03 H new ATOM 0 HB3 GLN A 40 14.176 -0.182 -14.029 1.00 42.03 H new ATOM 0 HG2 GLN A 40 11.407 0.156 -12.815 1.00 51.11 H new ATOM 0 HG3 GLN A 40 11.808 -1.020 -14.050 1.00 51.11 H new ATOM 0 HE21 GLN A 40 11.249 -2.780 -12.704 1.00 42.13 H new ATOM 0 HE22 GLN A 40 12.270 -3.275 -11.350 1.00 42.13 H new ATOM 354 N MET A 41 15.328 3.057 -13.653 1.00 34.21 N ATOM 355 CA MET A 41 16.624 3.642 -13.995 1.00 23.44 C ATOM 356 C MET A 41 17.324 4.164 -12.741 1.00 13.40 C ATOM 357 O MET A 41 18.539 4.348 -12.727 1.00 62.01 O ATOM 358 CB MET A 41 16.454 4.774 -15.013 1.00 31.22 C ATOM 359 CG MET A 41 17.757 5.223 -15.658 1.00 1.03 C ATOM 360 SD MET A 41 18.571 3.888 -16.555 1.00 20.11 S ATOM 361 CE MET A 41 20.007 4.748 -17.195 1.00 31.33 C ATOM 0 H MET A 41 14.522 3.594 -13.974 1.00 34.21 H new ATOM 0 HA MET A 41 17.241 2.863 -14.442 1.00 23.44 H new ATOM 0 HB2 MET A 41 15.767 4.447 -15.794 1.00 31.22 H new ATOM 0 HB3 MET A 41 15.991 5.628 -14.518 1.00 31.22 H new ATOM 0 HG2 MET A 41 17.556 6.048 -16.342 1.00 1.03 H new ATOM 0 HG3 MET A 41 18.429 5.603 -14.888 1.00 1.03 H new ATOM 0 HE1 MET A 41 20.616 4.056 -17.776 1.00 31.33 H new ATOM 0 HE2 MET A 41 19.684 5.571 -17.833 1.00 31.33 H new ATOM 0 HE3 MET A 41 20.595 5.141 -16.366 1.00 31.33 H new ATOM 371 N HIS A 42 16.544 4.387 -11.689 1.00 71.01 N ATOM 372 CA HIS A 42 17.079 4.855 -10.412 1.00 74.40 C ATOM 373 C HIS A 42 17.263 3.686 -9.449 1.00 11.43 C ATOM 374 O HIS A 42 17.571 3.880 -8.271 1.00 41.13 O ATOM 375 CB HIS A 42 16.155 5.911 -9.791 1.00 1.41 C ATOM 376 CG HIS A 42 16.224 7.255 -10.460 1.00 23.13 C ATOM 377 ND1 HIS A 42 15.623 7.534 -11.667 1.00 54.33 N ATOM 378 CD2 HIS A 42 16.820 8.405 -10.072 1.00 64.53 C ATOM 379 CE1 HIS A 42 15.849 8.795 -11.991 1.00 35.14 C ATOM 380 NE2 HIS A 42 16.570 9.343 -11.038 1.00 11.25 N ATOM 0 H HIS A 42 15.533 4.251 -11.694 1.00 71.01 H new ATOM 0 HA HIS A 42 18.051 5.312 -10.598 1.00 74.40 H new ATOM 0 HB2 HIS A 42 15.128 5.549 -9.832 1.00 1.41 H new ATOM 0 HB3 HIS A 42 16.410 6.028 -8.738 1.00 1.41 H new ATOM 0 HD1 HIS A 42 15.086 6.870 -12.225 1.00 54.33 H new ATOM 0 HD2 HIS A 42 17.389 8.556 -9.166 1.00 64.53 H new ATOM 0 HE1 HIS A 42 15.501 9.290 -12.885 1.00 35.14 H new ATOM 389 N ASN A 43 17.057 2.473 -9.967 1.00 13.04 N ATOM 390 CA ASN A 43 17.242 1.236 -9.204 1.00 0.03 C ATOM 391 C ASN A 43 16.336 1.177 -7.978 1.00 71.20 C ATOM 392 O ASN A 43 16.689 0.572 -6.965 1.00 3.33 O ATOM 393 CB ASN A 43 18.706 1.060 -8.780 1.00 4.32 C ATOM 394 CG ASN A 43 19.620 0.767 -9.953 1.00 1.33 C ATOM 395 OD1 ASN A 43 19.802 -0.388 -10.340 1.00 43.33 O ATOM 396 ND2 ASN A 43 20.212 1.805 -10.520 1.00 24.32 N ATOM 0 H ASN A 43 16.756 2.320 -10.930 1.00 13.04 H new ATOM 0 HA ASN A 43 16.964 0.417 -9.867 1.00 0.03 H new ATOM 0 HB2 ASN A 43 19.046 1.965 -8.276 1.00 4.32 H new ATOM 0 HB3 ASN A 43 18.776 0.247 -8.057 1.00 4.32 H new ATOM 0 HD21 ASN A 43 20.845 1.664 -11.307 1.00 24.32 H new ATOM 0 HD22 ASN A 43 20.035 2.747 -10.170 1.00 24.32 H new ATOM 403 N ILE A 44 15.165 1.787 -8.073 1.00 60.20 N ATOM 404 CA ILE A 44 14.199 1.734 -6.989 1.00 51.11 C ATOM 405 C ILE A 44 12.975 0.932 -7.420 1.00 54.12 C ATOM 406 O ILE A 44 12.586 0.957 -8.590 1.00 71.33 O ATOM 407 CB ILE A 44 13.777 3.149 -6.517 1.00 52.02 C ATOM 408 CG1 ILE A 44 12.784 3.057 -5.351 1.00 54.30 C ATOM 409 CG2 ILE A 44 13.181 3.942 -7.668 1.00 72.05 C ATOM 410 CD1 ILE A 44 12.318 4.400 -4.832 1.00 21.20 C ATOM 0 H ILE A 44 14.862 2.322 -8.887 1.00 60.20 H new ATOM 0 HA ILE A 44 14.677 1.240 -6.144 1.00 51.11 H new ATOM 0 HB ILE A 44 14.667 3.672 -6.167 1.00 52.02 H new ATOM 0 HG12 ILE A 44 11.915 2.482 -5.671 1.00 54.30 H new ATOM 0 HG13 ILE A 44 13.249 2.505 -4.534 1.00 54.30 H new ATOM 0 HG21 ILE A 44 12.891 4.932 -7.316 1.00 72.05 H new ATOM 0 HG22 ILE A 44 13.920 4.041 -8.463 1.00 72.05 H new ATOM 0 HG23 ILE A 44 12.303 3.422 -8.052 1.00 72.05 H new ATOM 0 HD11 ILE A 44 11.619 4.250 -4.009 1.00 21.20 H new ATOM 0 HD12 ILE A 44 13.176 4.971 -4.479 1.00 21.20 H new ATOM 0 HD13 ILE A 44 11.823 4.948 -5.634 1.00 21.20 H new ATOM 422 N GLU A 45 12.396 0.202 -6.476 1.00 71.14 N ATOM 423 CA GLU A 45 11.250 -0.647 -6.748 1.00 62.24 C ATOM 424 C GLU A 45 10.063 0.175 -7.230 1.00 21.32 C ATOM 425 O GLU A 45 9.716 1.198 -6.640 1.00 71.24 O ATOM 426 CB GLU A 45 10.862 -1.420 -5.490 1.00 73.34 C ATOM 427 CG GLU A 45 9.820 -2.494 -5.737 1.00 62.32 C ATOM 428 CD GLU A 45 10.311 -3.557 -6.696 1.00 13.22 C ATOM 429 OE1 GLU A 45 11.178 -4.363 -6.297 1.00 71.21 O ATOM 430 OE2 GLU A 45 9.825 -3.601 -7.846 1.00 24.31 O ATOM 0 H GLU A 45 12.708 0.183 -5.505 1.00 71.14 H new ATOM 0 HA GLU A 45 11.527 -1.348 -7.535 1.00 62.24 H new ATOM 0 HB2 GLU A 45 11.754 -1.881 -5.067 1.00 73.34 H new ATOM 0 HB3 GLU A 45 10.482 -0.720 -4.746 1.00 73.34 H new ATOM 0 HG2 GLU A 45 9.549 -2.959 -4.789 1.00 62.32 H new ATOM 0 HG3 GLU A 45 8.916 -2.035 -6.137 1.00 62.32 H new ATOM 437 N ALA A 46 9.447 -0.289 -8.302 1.00 74.22 N ATOM 438 CA ALA A 46 8.278 0.361 -8.856 1.00 55.22 C ATOM 439 C ALA A 46 7.139 -0.637 -8.956 1.00 62.42 C ATOM 440 O ALA A 46 7.221 -1.610 -9.705 1.00 74.31 O ATOM 441 CB ALA A 46 8.592 0.950 -10.224 1.00 73.23 C ATOM 0 H ALA A 46 9.743 -1.123 -8.809 1.00 74.22 H new ATOM 0 HA ALA A 46 7.980 1.176 -8.197 1.00 55.22 H new ATOM 0 HB1 ALA A 46 7.702 1.434 -10.625 1.00 73.23 H new ATOM 0 HB2 ALA A 46 9.393 1.684 -10.129 1.00 73.23 H new ATOM 0 HB3 ALA A 46 8.907 0.154 -10.899 1.00 73.23 H new ATOM 447 N ASN A 47 6.085 -0.407 -8.196 1.00 52.13 N ATOM 448 CA ASN A 47 4.942 -1.305 -8.195 1.00 73.42 C ATOM 449 C ASN A 47 3.798 -0.673 -8.966 1.00 3.14 C ATOM 450 O ASN A 47 3.727 0.550 -9.093 1.00 24.31 O ATOM 451 CB ASN A 47 4.493 -1.619 -6.762 1.00 54.31 C ATOM 452 CG ASN A 47 5.545 -2.350 -5.941 1.00 23.25 C ATOM 453 OD1 ASN A 47 5.624 -2.176 -4.726 1.00 2.15 O ATOM 454 ND2 ASN A 47 6.352 -3.182 -6.588 1.00 2.42 N ATOM 0 H ASN A 47 5.995 0.394 -7.571 1.00 52.13 H new ATOM 0 HA ASN A 47 5.235 -2.239 -8.674 1.00 73.42 H new ATOM 0 HB2 ASN A 47 4.234 -0.687 -6.259 1.00 54.31 H new ATOM 0 HB3 ASN A 47 3.587 -2.224 -6.798 1.00 54.31 H new ATOM 0 HD21 ASN A 47 7.066 -3.701 -6.077 1.00 2.42 H new ATOM 0 HD22 ASN A 47 6.258 -3.302 -7.597 1.00 2.42 H new ATOM 461 N LYS A 48 2.912 -1.500 -9.495 1.00 60.21 N ATOM 462 CA LYS A 48 1.786 -0.996 -10.263 1.00 10.12 C ATOM 463 C LYS A 48 0.555 -0.878 -9.382 1.00 61.13 C ATOM 464 O LYS A 48 0.340 -1.693 -8.484 1.00 31.33 O ATOM 465 CB LYS A 48 1.459 -1.912 -11.444 1.00 72.51 C ATOM 466 CG LYS A 48 2.661 -2.329 -12.270 1.00 2.21 C ATOM 467 CD LYS A 48 2.223 -3.060 -13.528 1.00 65.30 C ATOM 468 CE LYS A 48 3.316 -3.971 -14.057 1.00 11.32 C ATOM 469 NZ LYS A 48 3.614 -5.077 -13.108 1.00 43.34 N ATOM 0 H LYS A 48 2.949 -2.516 -9.408 1.00 60.21 H new ATOM 0 HA LYS A 48 2.068 -0.015 -10.644 1.00 10.12 H new ATOM 0 HB2 LYS A 48 0.965 -2.808 -11.067 1.00 72.51 H new ATOM 0 HB3 LYS A 48 0.746 -1.405 -12.094 1.00 72.51 H new ATOM 0 HG2 LYS A 48 3.245 -1.449 -12.540 1.00 2.21 H new ATOM 0 HG3 LYS A 48 3.310 -2.973 -11.677 1.00 2.21 H new ATOM 0 HD2 LYS A 48 1.330 -3.648 -13.315 1.00 65.30 H new ATOM 0 HD3 LYS A 48 1.951 -2.334 -14.295 1.00 65.30 H new ATOM 0 HE2 LYS A 48 3.011 -4.387 -15.017 1.00 11.32 H new ATOM 0 HE3 LYS A 48 4.221 -3.390 -14.235 1.00 11.32 H new ATOM 0 HZ1 LYS A 48 4.015 -5.883 -13.629 1.00 43.34 H new ATOM 0 HZ2 LYS A 48 4.298 -4.749 -12.397 1.00 43.34 H new ATOM 0 HZ3 LYS A 48 2.737 -5.373 -12.634 1.00 43.34 H new ATOM 483 N ILE A 49 -0.239 0.144 -9.635 1.00 43.32 N ATOM 484 CA ILE A 49 -1.536 0.277 -8.999 1.00 42.11 C ATOM 485 C ILE A 49 -2.627 0.306 -10.055 1.00 3.43 C ATOM 486 O ILE A 49 -2.979 1.361 -10.583 1.00 1.51 O ATOM 487 CB ILE A 49 -1.634 1.536 -8.111 1.00 42.30 C ATOM 488 CG1 ILE A 49 -0.768 2.663 -8.684 1.00 44.11 C ATOM 489 CG2 ILE A 49 -1.236 1.209 -6.680 1.00 12.42 C ATOM 490 CD1 ILE A 49 -0.800 3.935 -7.870 1.00 42.52 C ATOM 0 H ILE A 49 -0.007 0.899 -10.281 1.00 43.32 H new ATOM 0 HA ILE A 49 -1.667 -0.588 -8.349 1.00 42.11 H new ATOM 0 HB ILE A 49 -2.669 1.879 -8.101 1.00 42.30 H new ATOM 0 HG12 ILE A 49 0.263 2.315 -8.756 1.00 44.11 H new ATOM 0 HG13 ILE A 49 -1.101 2.884 -9.698 1.00 44.11 H new ATOM 0 HG21 ILE A 49 -1.311 2.107 -6.067 1.00 12.42 H new ATOM 0 HG22 ILE A 49 -1.902 0.443 -6.283 1.00 12.42 H new ATOM 0 HG23 ILE A 49 -0.210 0.842 -6.663 1.00 12.42 H new ATOM 0 HD11 ILE A 49 -0.163 4.684 -8.340 1.00 42.52 H new ATOM 0 HD12 ILE A 49 -1.823 4.309 -7.819 1.00 42.52 H new ATOM 0 HD13 ILE A 49 -0.438 3.731 -6.862 1.00 42.52 H new ATOM 502 N ASP A 50 -3.128 -0.873 -10.391 1.00 53.44 N ATOM 503 CA ASP A 50 -4.172 -1.000 -11.392 1.00 52.12 C ATOM 504 C ASP A 50 -5.539 -0.756 -10.771 1.00 1.20 C ATOM 505 O ASP A 50 -5.972 -1.469 -9.862 1.00 31.15 O ATOM 506 CB ASP A 50 -4.120 -2.372 -12.084 1.00 23.33 C ATOM 507 CG ASP A 50 -4.004 -3.535 -11.114 1.00 23.01 C ATOM 508 OD1 ASP A 50 -5.041 -3.992 -10.593 1.00 73.15 O ATOM 509 OD2 ASP A 50 -2.870 -4.007 -10.883 1.00 54.32 O ATOM 0 H ASP A 50 -2.826 -1.757 -9.982 1.00 53.44 H new ATOM 0 HA ASP A 50 -4.000 -0.241 -12.155 1.00 52.12 H new ATOM 0 HB2 ASP A 50 -5.019 -2.500 -12.687 1.00 23.33 H new ATOM 0 HB3 ASP A 50 -3.272 -2.393 -12.768 1.00 23.33 H new ATOM 514 N SER A 51 -6.198 0.286 -11.244 1.00 5.13 N ATOM 515 CA SER A 51 -7.517 0.652 -10.761 1.00 34.52 C ATOM 516 C SER A 51 -8.269 1.418 -11.841 1.00 11.14 C ATOM 517 O SER A 51 -7.680 2.243 -12.537 1.00 60.44 O ATOM 518 CB SER A 51 -7.399 1.511 -9.496 1.00 12.35 C ATOM 519 OG SER A 51 -6.722 0.819 -8.458 1.00 14.51 O ATOM 0 H SER A 51 -5.835 0.901 -11.972 1.00 5.13 H new ATOM 0 HA SER A 51 -8.068 -0.257 -10.518 1.00 34.52 H new ATOM 0 HB2 SER A 51 -6.865 2.432 -9.729 1.00 12.35 H new ATOM 0 HB3 SER A 51 -8.394 1.797 -9.155 1.00 12.35 H new ATOM 0 HG SER A 51 -6.662 1.394 -7.667 1.00 14.51 H new ATOM 525 N GLY A 52 -9.562 1.144 -11.976 1.00 65.35 N ATOM 526 CA GLY A 52 -10.373 1.817 -12.982 1.00 13.24 C ATOM 527 C GLY A 52 -10.416 3.321 -12.779 1.00 63.35 C ATOM 528 O GLY A 52 -10.491 4.083 -13.741 1.00 63.13 O ATOM 0 H GLY A 52 -10.067 0.466 -11.406 1.00 65.35 H new ATOM 0 HA2 GLY A 52 -9.974 1.598 -13.972 1.00 13.24 H new ATOM 0 HA3 GLY A 52 -11.388 1.420 -12.952 1.00 13.24 H new ATOM 532 N LYS A 53 -10.362 3.740 -11.518 1.00 21.33 N ATOM 533 CA LYS A 53 -10.340 5.158 -11.159 1.00 73.03 C ATOM 534 C LYS A 53 -9.087 5.859 -11.685 1.00 34.45 C ATOM 535 O LYS A 53 -9.092 7.070 -11.915 1.00 30.41 O ATOM 536 CB LYS A 53 -10.384 5.317 -9.633 1.00 74.04 C ATOM 537 CG LYS A 53 -9.373 4.435 -8.911 1.00 65.14 C ATOM 538 CD LYS A 53 -9.022 4.957 -7.525 1.00 65.20 C ATOM 539 CE LYS A 53 -8.123 6.184 -7.599 1.00 3.33 C ATOM 540 NZ LYS A 53 -7.526 6.521 -6.278 1.00 11.43 N ATOM 0 H LYS A 53 -10.332 3.109 -10.717 1.00 21.33 H new ATOM 0 HA LYS A 53 -11.216 5.618 -11.616 1.00 73.03 H new ATOM 0 HB2 LYS A 53 -10.196 6.360 -9.377 1.00 74.04 H new ATOM 0 HB3 LYS A 53 -11.386 5.077 -9.277 1.00 74.04 H new ATOM 0 HG2 LYS A 53 -9.775 3.426 -8.824 1.00 65.14 H new ATOM 0 HG3 LYS A 53 -8.465 4.366 -9.509 1.00 65.14 H new ATOM 0 HD2 LYS A 53 -9.937 5.207 -6.987 1.00 65.20 H new ATOM 0 HD3 LYS A 53 -8.522 4.173 -6.956 1.00 65.20 H new ATOM 0 HE2 LYS A 53 -7.327 6.006 -8.322 1.00 3.33 H new ATOM 0 HE3 LYS A 53 -8.700 7.034 -7.963 1.00 3.33 H new ATOM 0 HZ1 LYS A 53 -6.922 7.362 -6.374 1.00 11.43 H new ATOM 0 HZ2 LYS A 53 -8.285 6.716 -5.594 1.00 11.43 H new ATOM 0 HZ3 LYS A 53 -6.954 5.720 -5.941 1.00 11.43 H new ATOM 554 N LEU A 54 -8.016 5.100 -11.860 1.00 53.23 N ATOM 555 CA LEU A 54 -6.711 5.687 -12.126 1.00 22.12 C ATOM 556 C LEU A 54 -6.187 5.340 -13.518 1.00 22.32 C ATOM 557 O LEU A 54 -5.811 6.222 -14.291 1.00 51.03 O ATOM 558 CB LEU A 54 -5.726 5.207 -11.061 1.00 20.21 C ATOM 559 CG LEU A 54 -4.335 5.835 -11.119 1.00 3.50 C ATOM 560 CD1 LEU A 54 -4.421 7.340 -10.930 1.00 11.25 C ATOM 561 CD2 LEU A 54 -3.432 5.214 -10.066 1.00 20.33 C ATOM 0 H LEU A 54 -8.024 4.081 -11.823 1.00 53.23 H new ATOM 0 HA LEU A 54 -6.816 6.771 -12.090 1.00 22.12 H new ATOM 0 HB2 LEU A 54 -6.155 5.406 -10.079 1.00 20.21 H new ATOM 0 HB3 LEU A 54 -5.621 4.126 -11.149 1.00 20.21 H new ATOM 0 HG LEU A 54 -3.906 5.639 -12.102 1.00 3.50 H new ATOM 0 HD11 LEU A 54 -3.420 7.770 -10.974 1.00 11.25 H new ATOM 0 HD12 LEU A 54 -5.037 7.771 -11.719 1.00 11.25 H new ATOM 0 HD13 LEU A 54 -4.868 7.560 -9.960 1.00 11.25 H new ATOM 0 HD21 LEU A 54 -2.444 5.671 -10.119 1.00 20.33 H new ATOM 0 HD22 LEU A 54 -3.857 5.383 -9.077 1.00 20.33 H new ATOM 0 HD23 LEU A 54 -3.346 4.142 -10.246 1.00 20.33 H new ATOM 573 N GLY A 55 -6.170 4.059 -13.832 1.00 30.14 N ATOM 574 CA GLY A 55 -5.523 3.598 -15.037 1.00 32.45 C ATOM 575 C GLY A 55 -4.228 2.889 -14.708 1.00 23.12 C ATOM 576 O GLY A 55 -4.239 1.846 -14.050 1.00 61.21 O ATOM 0 H GLY A 55 -6.597 3.323 -13.269 1.00 30.14 H new ATOM 0 HA2 GLY A 55 -6.187 2.923 -15.577 1.00 32.45 H new ATOM 0 HA3 GLY A 55 -5.324 4.443 -15.696 1.00 32.45 H new ATOM 580 N TYR A 56 -3.113 3.459 -15.142 1.00 31.53 N ATOM 581 CA TYR A 56 -1.805 2.904 -14.829 1.00 24.24 C ATOM 582 C TYR A 56 -0.894 3.968 -14.236 1.00 72.04 C ATOM 583 O TYR A 56 -0.659 5.012 -14.842 1.00 23.33 O ATOM 584 CB TYR A 56 -1.158 2.290 -16.072 1.00 74.40 C ATOM 585 CG TYR A 56 -1.857 1.044 -16.558 1.00 24.43 C ATOM 586 CD1 TYR A 56 -1.630 -0.180 -15.943 1.00 1.50 C ATOM 587 CD2 TYR A 56 -2.749 1.091 -17.620 1.00 14.35 C ATOM 588 CE1 TYR A 56 -2.268 -1.324 -16.376 1.00 64.21 C ATOM 589 CE2 TYR A 56 -3.392 -0.049 -18.058 1.00 51.51 C ATOM 590 CZ TYR A 56 -3.149 -1.253 -17.432 1.00 71.32 C ATOM 591 OH TYR A 56 -3.786 -2.390 -17.866 1.00 74.23 O ATOM 0 H TYR A 56 -3.088 4.305 -15.711 1.00 31.53 H new ATOM 0 HA TYR A 56 -1.947 2.116 -14.090 1.00 24.24 H new ATOM 0 HB2 TYR A 56 -1.152 3.030 -16.872 1.00 74.40 H new ATOM 0 HB3 TYR A 56 -0.118 2.051 -15.851 1.00 74.40 H new ATOM 0 HD1 TYR A 56 -0.943 -0.237 -15.112 1.00 1.50 H new ATOM 0 HD2 TYR A 56 -2.943 2.033 -18.111 1.00 14.35 H new ATOM 0 HE1 TYR A 56 -2.078 -2.269 -15.890 1.00 64.21 H new ATOM 0 HE2 TYR A 56 -4.082 0.002 -18.887 1.00 51.51 H new ATOM 0 HH TYR A 56 -4.374 -2.169 -18.618 1.00 74.23 H new ATOM 601 N SER A 57 -0.406 3.710 -13.036 1.00 22.22 N ATOM 602 CA SER A 57 0.514 4.614 -12.373 1.00 13.32 C ATOM 603 C SER A 57 1.456 3.838 -11.463 1.00 62.43 C ATOM 604 O SER A 57 1.266 2.640 -11.235 1.00 51.24 O ATOM 605 CB SER A 57 -0.257 5.666 -11.575 1.00 43.31 C ATOM 606 OG SER A 57 -1.044 6.478 -12.431 1.00 34.32 O ATOM 0 H SER A 57 -0.634 2.874 -12.498 1.00 22.22 H new ATOM 0 HA SER A 57 1.109 5.123 -13.131 1.00 13.32 H new ATOM 0 HB2 SER A 57 -0.898 5.175 -10.843 1.00 43.31 H new ATOM 0 HB3 SER A 57 0.442 6.290 -11.018 1.00 43.31 H new ATOM 0 HG SER A 57 -1.529 7.142 -11.898 1.00 34.32 H new ATOM 612 N ILE A 58 2.465 4.522 -10.946 1.00 53.43 N ATOM 613 CA ILE A 58 3.477 3.885 -10.119 1.00 45.32 C ATOM 614 C ILE A 58 3.139 4.039 -8.645 1.00 2.12 C ATOM 615 O ILE A 58 2.597 5.063 -8.228 1.00 42.24 O ATOM 616 CB ILE A 58 4.878 4.493 -10.377 1.00 20.51 C ATOM 617 CG1 ILE A 58 5.137 4.614 -11.884 1.00 22.21 C ATOM 618 CG2 ILE A 58 5.959 3.645 -9.718 1.00 22.40 C ATOM 619 CD1 ILE A 58 5.155 3.287 -12.616 1.00 23.32 C ATOM 0 H ILE A 58 2.605 5.523 -11.086 1.00 53.43 H new ATOM 0 HA ILE A 58 3.493 2.828 -10.385 1.00 45.32 H new ATOM 0 HB ILE A 58 4.908 5.490 -9.938 1.00 20.51 H new ATOM 0 HG12 ILE A 58 4.369 5.249 -12.324 1.00 22.21 H new ATOM 0 HG13 ILE A 58 6.092 5.115 -12.039 1.00 22.21 H new ATOM 0 HG21 ILE A 58 6.936 4.088 -9.910 1.00 22.40 H new ATOM 0 HG22 ILE A 58 5.784 3.604 -8.643 1.00 22.40 H new ATOM 0 HG23 ILE A 58 5.931 2.636 -10.129 1.00 22.40 H new ATOM 0 HD11 ILE A 58 5.344 3.459 -13.676 1.00 23.32 H new ATOM 0 HD12 ILE A 58 5.942 2.655 -12.205 1.00 23.32 H new ATOM 0 HD13 ILE A 58 4.192 2.791 -12.495 1.00 23.32 H new ATOM 631 N THR A 59 3.434 3.012 -7.873 1.00 50.42 N ATOM 632 CA THR A 59 3.328 3.089 -6.432 1.00 74.01 C ATOM 633 C THR A 59 4.567 2.444 -5.812 1.00 61.03 C ATOM 634 O THR A 59 5.301 1.717 -6.491 1.00 32.12 O ATOM 635 CB THR A 59 2.042 2.407 -5.908 1.00 62.22 C ATOM 636 OG1 THR A 59 1.766 2.838 -4.568 1.00 61.43 O ATOM 637 CG2 THR A 59 2.173 0.891 -5.940 1.00 42.14 C ATOM 0 H THR A 59 3.751 2.108 -8.224 1.00 50.42 H new ATOM 0 HA THR A 59 3.268 4.138 -6.144 1.00 74.01 H new ATOM 0 HB THR A 59 1.218 2.696 -6.561 1.00 62.22 H new ATOM 0 HG1 THR A 59 1.250 3.671 -4.592 1.00 61.43 H new ATOM 0 HG21 THR A 59 1.255 0.438 -5.566 1.00 42.14 H new ATOM 0 HG22 THR A 59 2.349 0.563 -6.964 1.00 42.14 H new ATOM 0 HG23 THR A 59 3.010 0.585 -5.312 1.00 42.14 H new ATOM 645 N VAL A 60 4.810 2.722 -4.542 1.00 43.40 N ATOM 646 CA VAL A 60 6.002 2.231 -3.863 1.00 31.54 C ATOM 647 C VAL A 60 5.662 1.737 -2.467 1.00 52.24 C ATOM 648 O VAL A 60 4.529 1.889 -2.002 1.00 62.13 O ATOM 649 CB VAL A 60 7.097 3.319 -3.759 1.00 61.45 C ATOM 650 CG1 VAL A 60 7.682 3.639 -5.127 1.00 73.04 C ATOM 651 CG2 VAL A 60 6.541 4.576 -3.109 1.00 41.21 C ATOM 0 H VAL A 60 4.196 3.288 -3.956 1.00 43.40 H new ATOM 0 HA VAL A 60 6.387 1.406 -4.463 1.00 31.54 H new ATOM 0 HB VAL A 60 7.899 2.930 -3.132 1.00 61.45 H new ATOM 0 HG11 VAL A 60 8.449 4.407 -5.024 1.00 73.04 H new ATOM 0 HG12 VAL A 60 8.125 2.739 -5.553 1.00 73.04 H new ATOM 0 HG13 VAL A 60 6.892 4.001 -5.785 1.00 73.04 H new ATOM 0 HG21 VAL A 60 7.326 5.330 -3.044 1.00 41.21 H new ATOM 0 HG22 VAL A 60 5.716 4.961 -3.708 1.00 41.21 H new ATOM 0 HG23 VAL A 60 6.182 4.339 -2.107 1.00 41.21 H new ATOM 661 N ALA A 61 6.640 1.133 -1.808 1.00 43.11 N ATOM 662 CA ALA A 61 6.465 0.685 -0.439 1.00 14.52 C ATOM 663 C ALA A 61 6.350 1.883 0.493 1.00 13.22 C ATOM 664 O ALA A 61 6.760 2.991 0.144 1.00 20.21 O ATOM 665 CB ALA A 61 7.611 -0.223 -0.018 1.00 71.31 C ATOM 0 H ALA A 61 7.562 0.943 -2.201 1.00 43.11 H new ATOM 0 HA ALA A 61 5.542 0.108 -0.376 1.00 14.52 H new ATOM 0 HB1 ALA A 61 7.459 -0.547 1.012 1.00 71.31 H new ATOM 0 HB2 ALA A 61 7.644 -1.095 -0.672 1.00 71.31 H new ATOM 0 HB3 ALA A 61 8.552 0.321 -0.092 1.00 71.31 H new ATOM 671 N GLU A 62 5.800 1.655 1.674 1.00 23.21 N ATOM 672 CA GLU A 62 5.530 2.724 2.629 1.00 2.22 C ATOM 673 C GLU A 62 6.782 3.571 2.934 1.00 43.11 C ATOM 674 O GLU A 62 6.734 4.797 2.820 1.00 1.24 O ATOM 675 CB GLU A 62 4.943 2.151 3.928 1.00 53.22 C ATOM 676 CG GLU A 62 3.543 1.553 3.788 1.00 71.33 C ATOM 677 CD GLU A 62 3.483 0.354 2.858 1.00 13.34 C ATOM 678 OE1 GLU A 62 4.443 -0.443 2.840 1.00 35.32 O ATOM 679 OE2 GLU A 62 2.482 0.210 2.126 1.00 2.31 O ATOM 0 H GLU A 62 5.528 0.728 2.000 1.00 23.21 H new ATOM 0 HA GLU A 62 4.798 3.386 2.167 1.00 2.22 H new ATOM 0 HB2 GLU A 62 5.616 1.381 4.306 1.00 53.22 H new ATOM 0 HB3 GLU A 62 4.912 2.943 4.677 1.00 53.22 H new ATOM 0 HG2 GLU A 62 3.184 1.256 4.773 1.00 71.33 H new ATOM 0 HG3 GLU A 62 2.864 2.322 3.420 1.00 71.33 H new ATOM 686 N PRO A 63 7.923 2.954 3.321 1.00 72.32 N ATOM 687 CA PRO A 63 9.149 3.708 3.621 1.00 63.03 C ATOM 688 C PRO A 63 9.857 4.231 2.367 1.00 71.53 C ATOM 689 O PRO A 63 10.808 5.008 2.459 1.00 30.33 O ATOM 690 CB PRO A 63 10.024 2.682 4.340 1.00 11.34 C ATOM 691 CG PRO A 63 9.589 1.369 3.794 1.00 20.22 C ATOM 692 CD PRO A 63 8.116 1.500 3.527 1.00 21.22 C ATOM 0 HA PRO A 63 8.936 4.602 4.207 1.00 63.03 H new ATOM 0 HB2 PRO A 63 11.082 2.860 4.148 1.00 11.34 H new ATOM 0 HB3 PRO A 63 9.883 2.728 5.420 1.00 11.34 H new ATOM 0 HG2 PRO A 63 10.131 1.127 2.880 1.00 20.22 H new ATOM 0 HG3 PRO A 63 9.787 0.566 4.504 1.00 20.22 H new ATOM 0 HD2 PRO A 63 7.816 0.928 2.649 1.00 21.22 H new ATOM 0 HD3 PRO A 63 7.523 1.132 4.365 1.00 21.22 H new ATOM 700 N ASP A 64 9.390 3.809 1.198 1.00 32.11 N ATOM 701 CA ASP A 64 9.996 4.228 -0.062 1.00 22.43 C ATOM 702 C ASP A 64 9.198 5.370 -0.682 1.00 55.15 C ATOM 703 O ASP A 64 9.551 5.883 -1.747 1.00 3.42 O ATOM 704 CB ASP A 64 10.075 3.055 -1.049 1.00 52.14 C ATOM 705 CG ASP A 64 10.961 1.925 -0.559 1.00 14.24 C ATOM 706 OD1 ASP A 64 10.448 1.016 0.124 1.00 54.23 O ATOM 707 OD2 ASP A 64 12.174 1.935 -0.860 1.00 3.41 O ATOM 0 H ASP A 64 8.595 3.178 1.095 1.00 32.11 H new ATOM 0 HA ASP A 64 11.008 4.573 0.151 1.00 22.43 H new ATOM 0 HB2 ASP A 64 9.071 2.670 -1.228 1.00 52.14 H new ATOM 0 HB3 ASP A 64 10.453 3.417 -2.005 1.00 52.14 H new ATOM 712 N PHE A 65 8.127 5.768 0.003 1.00 41.43 N ATOM 713 CA PHE A 65 7.220 6.803 -0.488 1.00 54.45 C ATOM 714 C PHE A 65 7.959 8.102 -0.801 1.00 42.44 C ATOM 715 O PHE A 65 7.777 8.685 -1.870 1.00 52.04 O ATOM 716 CB PHE A 65 6.114 7.059 0.542 1.00 13.24 C ATOM 717 CG PHE A 65 5.130 8.121 0.133 1.00 60.44 C ATOM 718 CD1 PHE A 65 4.115 7.835 -0.764 1.00 35.21 C ATOM 719 CD2 PHE A 65 5.223 9.404 0.650 1.00 24.01 C ATOM 720 CE1 PHE A 65 3.210 8.809 -1.139 1.00 24.21 C ATOM 721 CE2 PHE A 65 4.321 10.381 0.278 1.00 30.11 C ATOM 722 CZ PHE A 65 3.313 10.084 -0.618 1.00 14.35 C ATOM 0 H PHE A 65 7.865 5.383 0.911 1.00 41.43 H new ATOM 0 HA PHE A 65 6.777 6.445 -1.417 1.00 54.45 H new ATOM 0 HB2 PHE A 65 5.575 6.128 0.720 1.00 13.24 H new ATOM 0 HB3 PHE A 65 6.572 7.348 1.488 1.00 13.24 H new ATOM 0 HD1 PHE A 65 4.030 6.840 -1.175 1.00 35.21 H new ATOM 0 HD2 PHE A 65 6.009 9.642 1.351 1.00 24.01 H new ATOM 0 HE1 PHE A 65 2.422 8.574 -1.839 1.00 24.21 H new ATOM 0 HE2 PHE A 65 4.404 11.377 0.688 1.00 30.11 H new ATOM 0 HZ PHE A 65 2.607 10.847 -0.911 1.00 14.35 H new ATOM 732 N THR A 66 8.805 8.537 0.124 1.00 73.35 N ATOM 733 CA THR A 66 9.522 9.796 -0.033 1.00 75.35 C ATOM 734 C THR A 66 10.433 9.772 -1.264 1.00 2.20 C ATOM 735 O THR A 66 10.544 10.767 -1.984 1.00 12.04 O ATOM 736 CB THR A 66 10.343 10.140 1.234 1.00 43.40 C ATOM 737 OG1 THR A 66 11.026 11.387 1.054 1.00 44.42 O ATOM 738 CG2 THR A 66 11.352 9.045 1.562 1.00 3.54 C ATOM 0 H THR A 66 9.011 8.038 0.989 1.00 73.35 H new ATOM 0 HA THR A 66 8.773 10.574 -0.178 1.00 75.35 H new ATOM 0 HB THR A 66 9.647 10.220 2.069 1.00 43.40 H new ATOM 0 HG1 THR A 66 11.541 11.597 1.861 1.00 44.42 H new ATOM 0 HG21 THR A 66 11.910 9.321 2.457 1.00 3.54 H new ATOM 0 HG22 THR A 66 10.826 8.106 1.737 1.00 3.54 H new ATOM 0 HG23 THR A 66 12.042 8.924 0.727 1.00 3.54 H new ATOM 746 N ALA A 67 11.045 8.621 -1.526 1.00 1.24 N ATOM 747 CA ALA A 67 11.972 8.480 -2.641 1.00 61.44 C ATOM 748 C ALA A 67 11.252 8.663 -3.971 1.00 51.42 C ATOM 749 O ALA A 67 11.755 9.342 -4.867 1.00 2.20 O ATOM 750 CB ALA A 67 12.661 7.127 -2.584 1.00 23.11 C ATOM 0 H ALA A 67 10.914 7.770 -0.978 1.00 1.24 H new ATOM 0 HA ALA A 67 12.730 9.259 -2.560 1.00 61.44 H new ATOM 0 HB1 ALA A 67 13.351 7.034 -3.423 1.00 23.11 H new ATOM 0 HB2 ALA A 67 13.213 7.039 -1.648 1.00 23.11 H new ATOM 0 HB3 ALA A 67 11.914 6.335 -2.640 1.00 23.11 H new ATOM 756 N ALA A 68 10.065 8.070 -4.081 1.00 4.24 N ATOM 757 CA ALA A 68 9.248 8.194 -5.286 1.00 34.10 C ATOM 758 C ALA A 68 8.986 9.659 -5.618 1.00 41.52 C ATOM 759 O ALA A 68 9.067 10.067 -6.776 1.00 34.32 O ATOM 760 CB ALA A 68 7.933 7.454 -5.107 1.00 14.41 C ATOM 0 H ALA A 68 9.647 7.497 -3.348 1.00 4.24 H new ATOM 0 HA ALA A 68 9.796 7.748 -6.116 1.00 34.10 H new ATOM 0 HB1 ALA A 68 7.333 7.554 -6.012 1.00 14.41 H new ATOM 0 HB2 ALA A 68 8.132 6.399 -4.918 1.00 14.41 H new ATOM 0 HB3 ALA A 68 7.389 7.877 -4.263 1.00 14.41 H new ATOM 766 N VAL A 69 8.701 10.448 -4.588 1.00 4.51 N ATOM 767 CA VAL A 69 8.409 11.865 -4.760 1.00 52.30 C ATOM 768 C VAL A 69 9.600 12.601 -5.371 1.00 72.10 C ATOM 769 O VAL A 69 9.444 13.369 -6.323 1.00 33.11 O ATOM 770 CB VAL A 69 8.034 12.529 -3.417 1.00 34.22 C ATOM 771 CG1 VAL A 69 7.700 14.000 -3.613 1.00 51.31 C ATOM 772 CG2 VAL A 69 6.870 11.798 -2.766 1.00 31.33 C ATOM 0 H VAL A 69 8.666 10.127 -3.620 1.00 4.51 H new ATOM 0 HA VAL A 69 7.558 11.935 -5.438 1.00 52.30 H new ATOM 0 HB VAL A 69 8.897 12.463 -2.754 1.00 34.22 H new ATOM 0 HG11 VAL A 69 7.439 14.445 -2.653 1.00 51.31 H new ATOM 0 HG12 VAL A 69 8.564 14.517 -4.030 1.00 51.31 H new ATOM 0 HG13 VAL A 69 6.857 14.094 -4.297 1.00 51.31 H new ATOM 0 HG21 VAL A 69 6.620 12.280 -1.821 1.00 31.33 H new ATOM 0 HG22 VAL A 69 6.005 11.828 -3.429 1.00 31.33 H new ATOM 0 HG23 VAL A 69 7.149 10.761 -2.581 1.00 31.33 H new ATOM 782 N TYR A 70 10.789 12.349 -4.831 1.00 12.32 N ATOM 783 CA TYR A 70 12.002 13.008 -5.307 1.00 41.42 C ATOM 784 C TYR A 70 12.268 12.693 -6.775 1.00 14.24 C ATOM 785 O TYR A 70 12.648 13.576 -7.550 1.00 63.14 O ATOM 786 CB TYR A 70 13.210 12.605 -4.458 1.00 1.45 C ATOM 787 CG TYR A 70 13.268 13.298 -3.115 1.00 45.43 C ATOM 788 CD1 TYR A 70 13.699 14.614 -3.014 1.00 61.45 C ATOM 789 CD2 TYR A 70 12.899 12.641 -1.950 1.00 55.11 C ATOM 790 CE1 TYR A 70 13.762 15.256 -1.792 1.00 65.41 C ATOM 791 CE2 TYR A 70 12.956 13.275 -0.723 1.00 74.53 C ATOM 792 CZ TYR A 70 13.388 14.582 -0.650 1.00 33.13 C ATOM 793 OH TYR A 70 13.450 15.215 0.572 1.00 45.22 O ATOM 0 H TYR A 70 10.939 11.694 -4.064 1.00 12.32 H new ATOM 0 HA TYR A 70 11.847 14.083 -5.211 1.00 41.42 H new ATOM 0 HB2 TYR A 70 13.188 11.527 -4.300 1.00 1.45 H new ATOM 0 HB3 TYR A 70 14.122 12.828 -5.011 1.00 1.45 H new ATOM 0 HD1 TYR A 70 13.991 15.146 -3.908 1.00 61.45 H new ATOM 0 HD2 TYR A 70 12.561 11.616 -2.003 1.00 55.11 H new ATOM 0 HE1 TYR A 70 14.102 16.279 -1.732 1.00 65.41 H new ATOM 0 HE2 TYR A 70 12.664 12.749 0.174 1.00 74.53 H new ATOM 0 HH TYR A 70 13.151 14.601 1.274 1.00 45.22 H new ATOM 803 N TRP A 71 12.054 11.443 -7.162 1.00 24.12 N ATOM 804 CA TRP A 71 12.305 11.026 -8.534 1.00 65.04 C ATOM 805 C TRP A 71 11.303 11.669 -9.487 1.00 41.52 C ATOM 806 O TRP A 71 11.666 12.089 -10.586 1.00 54.42 O ATOM 807 CB TRP A 71 12.262 9.500 -8.667 1.00 32.12 C ATOM 808 CG TRP A 71 13.201 8.776 -7.740 1.00 45.23 C ATOM 809 CD1 TRP A 71 12.995 7.550 -7.179 1.00 24.34 C ATOM 810 CD2 TRP A 71 14.478 9.230 -7.252 1.00 15.40 C ATOM 811 NE1 TRP A 71 14.060 7.208 -6.383 1.00 53.34 N ATOM 812 CE2 TRP A 71 14.981 8.219 -6.409 1.00 51.34 C ATOM 813 CE3 TRP A 71 15.250 10.383 -7.445 1.00 75.01 C ATOM 814 CZ2 TRP A 71 16.207 8.328 -5.760 1.00 62.31 C ATOM 815 CZ3 TRP A 71 16.466 10.487 -6.799 1.00 13.41 C ATOM 816 CH2 TRP A 71 16.935 9.464 -5.968 1.00 12.20 C ATOM 0 H TRP A 71 11.709 10.704 -6.549 1.00 24.12 H new ATOM 0 HA TRP A 71 13.306 11.362 -8.803 1.00 65.04 H new ATOM 0 HB2 TRP A 71 11.245 9.158 -8.476 1.00 32.12 H new ATOM 0 HB3 TRP A 71 12.502 9.229 -9.695 1.00 32.12 H new ATOM 0 HD1 TRP A 71 12.120 6.937 -7.338 1.00 24.34 H new ATOM 0 HE1 TRP A 71 14.150 6.339 -5.856 1.00 53.34 H new ATOM 0 HE3 TRP A 71 14.900 11.177 -8.088 1.00 75.01 H new ATOM 0 HZ2 TRP A 71 16.570 7.542 -5.115 1.00 62.31 H new ATOM 0 HZ3 TRP A 71 17.066 11.374 -6.938 1.00 13.41 H new ATOM 0 HH2 TRP A 71 17.893 9.575 -5.481 1.00 12.20 H new ATOM 827 N ILE A 72 10.050 11.767 -9.057 1.00 2.25 N ATOM 828 CA ILE A 72 9.008 12.382 -9.874 1.00 33.20 C ATOM 829 C ILE A 72 9.282 13.871 -10.082 1.00 55.21 C ATOM 830 O ILE A 72 9.070 14.402 -11.175 1.00 61.22 O ATOM 831 CB ILE A 72 7.607 12.188 -9.253 1.00 23.22 C ATOM 832 CG1 ILE A 72 7.276 10.698 -9.147 1.00 74.31 C ATOM 833 CG2 ILE A 72 6.544 12.904 -10.074 1.00 25.43 C ATOM 834 CD1 ILE A 72 7.324 9.961 -10.471 1.00 54.35 C ATOM 0 H ILE A 72 9.731 11.429 -8.149 1.00 2.25 H new ATOM 0 HA ILE A 72 9.024 11.881 -10.842 1.00 33.20 H new ATOM 0 HB ILE A 72 7.616 12.621 -8.253 1.00 23.22 H new ATOM 0 HG12 ILE A 72 7.976 10.229 -8.456 1.00 74.31 H new ATOM 0 HG13 ILE A 72 6.281 10.587 -8.717 1.00 74.31 H new ATOM 0 HG21 ILE A 72 5.567 12.752 -9.616 1.00 25.43 H new ATOM 0 HG22 ILE A 72 6.767 13.970 -10.107 1.00 25.43 H new ATOM 0 HG23 ILE A 72 6.536 12.503 -11.088 1.00 25.43 H new ATOM 0 HD11 ILE A 72 7.078 8.911 -10.312 1.00 54.35 H new ATOM 0 HD12 ILE A 72 6.603 10.402 -11.159 1.00 54.35 H new ATOM 0 HD13 ILE A 72 8.325 10.039 -10.895 1.00 54.35 H new ATOM 846 N LYS A 73 9.775 14.535 -9.039 1.00 71.32 N ATOM 847 CA LYS A 73 10.146 15.947 -9.135 1.00 13.44 C ATOM 848 C LYS A 73 11.203 16.148 -10.208 1.00 33.31 C ATOM 849 O LYS A 73 11.246 17.181 -10.874 1.00 53.21 O ATOM 850 CB LYS A 73 10.715 16.464 -7.818 1.00 12.53 C ATOM 851 CG LYS A 73 9.734 16.515 -6.667 1.00 65.31 C ATOM 852 CD LYS A 73 10.298 17.364 -5.544 1.00 73.14 C ATOM 853 CE LYS A 73 11.620 16.816 -5.034 1.00 4.14 C ATOM 854 NZ LYS A 73 12.339 17.808 -4.193 1.00 24.13 N ATOM 0 H LYS A 73 9.927 14.120 -8.120 1.00 71.32 H new ATOM 0 HA LYS A 73 9.238 16.497 -9.383 1.00 13.44 H new ATOM 0 HB2 LYS A 73 11.555 15.831 -7.531 1.00 12.53 H new ATOM 0 HB3 LYS A 73 11.112 17.466 -7.981 1.00 12.53 H new ATOM 0 HG2 LYS A 73 8.784 16.929 -7.006 1.00 65.31 H new ATOM 0 HG3 LYS A 73 9.531 15.507 -6.306 1.00 65.31 H new ATOM 0 HD2 LYS A 73 10.439 18.386 -5.896 1.00 73.14 H new ATOM 0 HD3 LYS A 73 9.581 17.406 -4.724 1.00 73.14 H new ATOM 0 HE2 LYS A 73 11.439 15.911 -4.454 1.00 4.14 H new ATOM 0 HE3 LYS A 73 12.247 16.533 -5.880 1.00 4.14 H new ATOM 0 HZ1 LYS A 73 13.236 17.398 -3.863 1.00 24.13 H new ATOM 0 HZ2 LYS A 73 12.534 18.662 -4.753 1.00 24.13 H new ATOM 0 HZ3 LYS A 73 11.751 18.059 -3.373 1.00 24.13 H new ATOM 868 N THR A 74 12.059 15.152 -10.360 1.00 52.20 N ATOM 869 CA THR A 74 13.173 15.240 -11.283 1.00 40.54 C ATOM 870 C THR A 74 12.742 14.811 -12.688 1.00 42.22 C ATOM 871 O THR A 74 13.421 15.094 -13.677 1.00 43.35 O ATOM 872 CB THR A 74 14.345 14.367 -10.789 1.00 13.41 C ATOM 873 OG1 THR A 74 14.468 14.483 -9.362 1.00 60.04 O ATOM 874 CG2 THR A 74 15.651 14.807 -11.417 1.00 41.32 C ATOM 0 H THR A 74 12.001 14.269 -9.852 1.00 52.20 H new ATOM 0 HA THR A 74 13.505 16.277 -11.328 1.00 40.54 H new ATOM 0 HB THR A 74 14.138 13.335 -11.073 1.00 13.41 H new ATOM 0 HG1 THR A 74 13.725 14.012 -8.930 1.00 60.04 H new ATOM 0 HG21 THR A 74 16.461 14.176 -11.052 1.00 41.32 H new ATOM 0 HG22 THR A 74 15.582 14.718 -12.501 1.00 41.32 H new ATOM 0 HG23 THR A 74 15.852 15.845 -11.150 1.00 41.32 H new ATOM 882 N TYR A 75 11.594 14.144 -12.761 1.00 52.30 N ATOM 883 CA TYR A 75 11.048 13.681 -14.028 1.00 1.22 C ATOM 884 C TYR A 75 10.336 14.813 -14.762 1.00 11.22 C ATOM 885 O TYR A 75 10.504 14.980 -15.970 1.00 31.24 O ATOM 886 CB TYR A 75 10.083 12.513 -13.791 1.00 75.34 C ATOM 887 CG TYR A 75 9.232 12.170 -14.990 1.00 5.31 C ATOM 888 CD1 TYR A 75 9.771 11.508 -16.085 1.00 33.40 C ATOM 889 CD2 TYR A 75 7.888 12.517 -15.028 1.00 34.34 C ATOM 890 CE1 TYR A 75 8.993 11.203 -17.185 1.00 0.22 C ATOM 891 CE2 TYR A 75 7.105 12.213 -16.121 1.00 75.12 C ATOM 892 CZ TYR A 75 7.662 11.558 -17.198 1.00 53.10 C ATOM 893 OH TYR A 75 6.885 11.258 -18.292 1.00 74.23 O ATOM 0 H TYR A 75 11.022 13.912 -11.949 1.00 52.30 H new ATOM 0 HA TYR A 75 11.874 13.339 -14.651 1.00 1.22 H new ATOM 0 HB2 TYR A 75 10.657 11.633 -13.502 1.00 75.34 H new ATOM 0 HB3 TYR A 75 9.431 12.758 -12.953 1.00 75.34 H new ATOM 0 HD1 TYR A 75 10.814 11.227 -16.077 1.00 33.40 H new ATOM 0 HD2 TYR A 75 7.449 13.034 -14.187 1.00 34.34 H new ATOM 0 HE1 TYR A 75 9.426 10.689 -18.030 1.00 0.22 H new ATOM 0 HE2 TYR A 75 6.060 12.487 -16.133 1.00 75.12 H new ATOM 0 HH TYR A 75 5.970 11.576 -18.141 1.00 74.23 H new