USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 713 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 48 SER OG : rot 160:sc= -0.834 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.098 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 130:sc= -1.14 USER MOD Single : A 23 THR OG1 : rot -48:sc= 1.17 USER MOD Single : A 24 MET CE :methyl 155:sc= -7.29! (180deg=-10.3!) USER MOD Single : A 27 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-6.1!) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.122 (180deg=-0.469) USER MOD Single : A 34 GLN : amide:sc= -2.01 K(o=-2,f=-6.4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.0109 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.576 X(o=-0.58,f=-0.57) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.14) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.367 X(o=-0.37,f=-0.3) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.207 4.225 -4.481 1.00 75.14 N ATOM 2 CA GLY A 1 -4.076 2.877 -5.003 1.00 10.01 C ATOM 3 C GLY A 1 -2.990 2.765 -6.054 1.00 42.52 C ATOM 4 O GLY A 1 -2.430 3.772 -6.487 1.00 1.30 O ATOM 0 H1 GLY A 1 -3.823 4.262 -3.515 1.00 75.14 H new ATOM 0 H2 GLY A 1 -3.681 4.885 -5.088 1.00 75.14 H new ATOM 0 H3 GLY A 1 -5.211 4.495 -4.465 1.00 75.14 H new ATOM 0 HA2 GLY A 1 -3.856 2.193 -4.183 1.00 10.01 H new ATOM 0 HA3 GLY A 1 -5.027 2.563 -5.433 1.00 10.01 H new ATOM 8 N ALA A 2 -2.690 1.538 -6.465 1.00 22.31 N ATOM 9 CA ALA A 2 -1.664 1.298 -7.472 1.00 44.41 C ATOM 10 C ALA A 2 -0.275 1.614 -6.927 1.00 20.34 C ATOM 11 O ALA A 2 0.486 0.710 -6.582 1.00 2.44 O ATOM 12 CB ALA A 2 -1.944 2.126 -8.718 1.00 22.21 C ATOM 0 H ALA A 2 -3.143 0.694 -6.116 1.00 22.31 H new ATOM 0 HA ALA A 2 -1.690 0.241 -7.737 1.00 44.41 H new ATOM 0 HB1 ALA A 2 -1.170 1.937 -9.462 1.00 22.21 H new ATOM 0 HB2 ALA A 2 -2.916 1.850 -9.127 1.00 22.21 H new ATOM 0 HB3 ALA A 2 -1.947 3.185 -8.458 1.00 22.21 H new ATOM 18 N MET A 3 0.048 2.901 -6.852 1.00 63.42 N ATOM 19 CA MET A 3 1.346 3.334 -6.348 1.00 2.21 C ATOM 20 C MET A 3 1.297 4.793 -5.904 1.00 64.13 C ATOM 21 O MET A 3 2.027 5.635 -6.427 1.00 75.03 O ATOM 22 CB MET A 3 2.421 3.151 -7.421 1.00 23.12 C ATOM 23 CG MET A 3 2.056 3.772 -8.759 1.00 44.41 C ATOM 24 SD MET A 3 3.460 3.865 -9.888 1.00 33.14 S ATOM 25 CE MET A 3 3.252 5.516 -10.551 1.00 62.53 C ATOM 0 H MET A 3 -0.571 3.662 -7.134 1.00 63.42 H new ATOM 0 HA MET A 3 1.597 2.718 -5.485 1.00 2.21 H new ATOM 0 HB2 MET A 3 3.354 3.591 -7.068 1.00 23.12 H new ATOM 0 HB3 MET A 3 2.604 2.086 -7.562 1.00 23.12 H new ATOM 0 HG2 MET A 3 1.261 3.187 -9.222 1.00 44.41 H new ATOM 0 HG3 MET A 3 1.660 4.774 -8.594 1.00 44.41 H new ATOM 0 HE1 MET A 3 4.047 5.723 -11.267 1.00 62.53 H new ATOM 0 HE2 MET A 3 2.286 5.589 -11.050 1.00 62.53 H new ATOM 0 HE3 MET A 3 3.297 6.242 -9.739 1.00 62.53 H new ATOM 35 N ALA A 4 0.433 5.084 -4.937 1.00 43.14 N ATOM 36 CA ALA A 4 0.291 6.441 -4.423 1.00 23.50 C ATOM 37 C ALA A 4 0.060 7.436 -5.555 1.00 60.41 C ATOM 38 O ALA A 4 -0.174 7.045 -6.699 1.00 11.40 O ATOM 39 CB ALA A 4 1.522 6.831 -3.618 1.00 14.05 C ATOM 0 H ALA A 4 -0.179 4.399 -4.494 1.00 43.14 H new ATOM 0 HA ALA A 4 -0.581 6.466 -3.769 1.00 23.50 H new ATOM 0 HB1 ALA A 4 1.403 7.846 -3.240 1.00 14.05 H new ATOM 0 HB2 ALA A 4 1.642 6.144 -2.780 1.00 14.05 H new ATOM 0 HB3 ALA A 4 2.404 6.783 -4.256 1.00 14.05 H new ATOM 45 N ARG A 5 0.126 8.722 -5.229 1.00 5.24 N ATOM 46 CA ARG A 5 -0.078 9.773 -6.218 1.00 43.13 C ATOM 47 C ARG A 5 1.248 10.191 -6.848 1.00 55.53 C ATOM 48 O ARG A 5 1.301 10.551 -8.024 1.00 61.21 O ATOM 49 CB ARG A 5 -0.754 10.985 -5.574 1.00 63.04 C ATOM 50 CG ARG A 5 -1.922 10.623 -4.673 1.00 34.24 C ATOM 51 CD ARG A 5 -2.962 9.796 -5.413 1.00 21.21 C ATOM 52 NE ARG A 5 -4.295 9.948 -4.836 1.00 23.14 N ATOM 53 CZ ARG A 5 -5.091 10.981 -5.088 1.00 34.51 C ATOM 54 NH1 ARG A 5 -4.692 11.947 -5.903 1.00 61.42 N ATOM 55 NH2 ARG A 5 -6.291 11.048 -4.524 1.00 62.23 N ATOM 0 H ARG A 5 0.319 9.062 -4.287 1.00 5.24 H new ATOM 0 HA ARG A 5 -0.725 9.379 -7.002 1.00 43.13 H new ATOM 0 HB2 ARG A 5 -0.015 11.536 -4.993 1.00 63.04 H new ATOM 0 HB3 ARG A 5 -1.106 11.654 -6.359 1.00 63.04 H new ATOM 0 HG2 ARG A 5 -1.558 10.064 -3.811 1.00 34.24 H new ATOM 0 HG3 ARG A 5 -2.384 11.533 -4.291 1.00 34.24 H new ATOM 0 HD2 ARG A 5 -2.984 10.095 -6.461 1.00 21.21 H new ATOM 0 HD3 ARG A 5 -2.674 8.745 -5.388 1.00 21.21 H new ATOM 0 HE ARG A 5 -4.633 9.221 -4.205 1.00 23.14 H new ATOM 0 HH11 ARG A 5 -3.771 11.899 -6.339 1.00 61.42 H new ATOM 0 HH12 ARG A 5 -5.306 12.739 -6.094 1.00 61.42 H new ATOM 0 HH21 ARG A 5 -6.602 10.306 -3.897 1.00 62.23 H new ATOM 0 HH22 ARG A 5 -6.902 11.841 -4.718 1.00 62.23 H new ATOM 69 N ALA A 6 2.314 10.143 -6.057 1.00 64.44 N ATOM 70 CA ALA A 6 3.639 10.515 -6.538 1.00 22.22 C ATOM 71 C ALA A 6 3.617 11.887 -7.202 1.00 54.15 C ATOM 72 O ALA A 6 4.323 12.123 -8.182 1.00 12.51 O ATOM 73 CB ALA A 6 4.163 9.465 -7.507 1.00 4.42 C ATOM 0 H ALA A 6 2.286 9.850 -5.080 1.00 64.44 H new ATOM 0 HA ALA A 6 4.309 10.567 -5.679 1.00 22.22 H new ATOM 0 HB1 ALA A 6 5.153 9.756 -7.858 1.00 4.42 H new ATOM 0 HB2 ALA A 6 4.226 8.502 -7.001 1.00 4.42 H new ATOM 0 HB3 ALA A 6 3.486 9.384 -8.357 1.00 4.42 H new ATOM 79 N GLU A 7 2.800 12.787 -6.664 1.00 3.35 N ATOM 80 CA GLU A 7 2.686 14.136 -7.207 1.00 35.42 C ATOM 81 C GLU A 7 4.046 14.826 -7.242 1.00 22.41 C ATOM 82 O GLU A 7 4.322 15.631 -8.130 1.00 54.41 O ATOM 83 CB GLU A 7 1.703 14.963 -6.375 1.00 23.21 C ATOM 84 CG GLU A 7 2.266 15.410 -5.036 1.00 52.42 C ATOM 85 CD GLU A 7 2.586 14.246 -4.119 1.00 63.14 C ATOM 86 OE1 GLU A 7 1.702 13.387 -3.919 1.00 4.12 O ATOM 87 OE2 GLU A 7 3.722 14.194 -3.603 1.00 22.24 O ATOM 0 H GLU A 7 2.208 12.607 -5.853 1.00 3.35 H new ATOM 0 HA GLU A 7 2.312 14.058 -8.228 1.00 35.42 H new ATOM 0 HB2 GLU A 7 1.406 15.842 -6.947 1.00 23.21 H new ATOM 0 HB3 GLU A 7 0.801 14.375 -6.203 1.00 23.21 H new ATOM 0 HG2 GLU A 7 3.170 15.995 -5.204 1.00 52.42 H new ATOM 0 HG3 GLU A 7 1.548 16.067 -4.545 1.00 52.42 H new ATOM 94 N GLU A 8 4.892 14.503 -6.268 1.00 61.04 N ATOM 95 CA GLU A 8 6.223 15.093 -6.187 1.00 62.13 C ATOM 96 C GLU A 8 7.167 14.446 -7.196 1.00 64.24 C ATOM 97 O GLU A 8 8.172 15.038 -7.592 1.00 2.02 O ATOM 98 CB GLU A 8 6.788 14.940 -4.773 1.00 54.14 C ATOM 99 CG GLU A 8 8.257 15.309 -4.662 1.00 25.33 C ATOM 100 CD GLU A 8 8.587 16.004 -3.355 1.00 30.42 C ATOM 101 OE1 GLU A 8 7.919 15.708 -2.342 1.00 11.23 O ATOM 102 OE2 GLU A 8 9.512 16.842 -3.345 1.00 11.32 O ATOM 0 H GLU A 8 4.679 13.837 -5.525 1.00 61.04 H new ATOM 0 HA GLU A 8 6.137 16.154 -6.423 1.00 62.13 H new ATOM 0 HB2 GLU A 8 6.212 15.566 -4.091 1.00 54.14 H new ATOM 0 HB3 GLU A 8 6.656 13.908 -4.447 1.00 54.14 H new ATOM 0 HG2 GLU A 8 8.862 14.407 -4.752 1.00 25.33 H new ATOM 0 HG3 GLU A 8 8.528 15.959 -5.494 1.00 25.33 H new ATOM 109 N HIS A 9 6.838 13.226 -7.609 1.00 34.11 N ATOM 110 CA HIS A 9 7.656 12.497 -8.572 1.00 54.30 C ATOM 111 C HIS A 9 7.333 12.933 -9.998 1.00 61.12 C ATOM 112 O HIS A 9 7.900 12.412 -10.959 1.00 43.44 O ATOM 113 CB HIS A 9 7.435 10.992 -8.424 1.00 64.51 C ATOM 114 CG HIS A 9 8.703 10.217 -8.230 1.00 15.12 C ATOM 115 ND1 HIS A 9 9.577 10.453 -7.190 1.00 40.32 N ATOM 116 CD2 HIS A 9 9.240 9.204 -8.949 1.00 0.12 C ATOM 117 CE1 HIS A 9 10.598 9.620 -7.279 1.00 44.30 C ATOM 118 NE2 HIS A 9 10.418 8.851 -8.338 1.00 11.15 N ATOM 0 H HIS A 9 6.010 12.721 -7.292 1.00 34.11 H new ATOM 0 HA HIS A 9 8.703 12.724 -8.369 1.00 54.30 H new ATOM 0 HB2 HIS A 9 6.775 10.812 -7.575 1.00 64.51 H new ATOM 0 HB3 HIS A 9 6.923 10.619 -9.311 1.00 64.51 H new ATOM 0 HD2 HIS A 9 8.820 8.757 -9.838 1.00 0.12 H new ATOM 0 HE1 HIS A 9 11.438 9.575 -6.601 1.00 44.30 H new ATOM 0 HE2 HIS A 9 11.051 8.115 -8.651 1.00 11.15 H new ATOM 126 N ILE A 10 6.420 13.889 -10.127 1.00 75.04 N ATOM 127 CA ILE A 10 6.023 14.394 -11.436 1.00 34.21 C ATOM 128 C ILE A 10 7.096 15.304 -12.023 1.00 65.50 C ATOM 129 O ILE A 10 7.428 15.207 -13.205 1.00 0.41 O ATOM 130 CB ILE A 10 4.694 15.169 -11.361 1.00 31.01 C ATOM 131 CG1 ILE A 10 3.607 14.300 -10.725 1.00 12.42 C ATOM 132 CG2 ILE A 10 4.269 15.627 -12.748 1.00 41.40 C ATOM 133 CD1 ILE A 10 3.333 13.022 -11.485 1.00 62.40 C ATOM 0 H ILE A 10 5.941 14.330 -9.342 1.00 75.04 H new ATOM 0 HA ILE A 10 5.893 13.526 -12.082 1.00 34.21 H new ATOM 0 HB ILE A 10 4.839 16.051 -10.737 1.00 31.01 H new ATOM 0 HG12 ILE A 10 3.903 14.051 -9.706 1.00 12.42 H new ATOM 0 HG13 ILE A 10 2.685 14.878 -10.657 1.00 12.42 H new ATOM 0 HG21 ILE A 10 3.328 16.173 -12.678 1.00 41.40 H new ATOM 0 HG22 ILE A 10 5.036 16.278 -13.167 1.00 41.40 H new ATOM 0 HG23 ILE A 10 4.138 14.759 -13.394 1.00 41.40 H new ATOM 0 HD11 ILE A 10 2.552 12.457 -10.977 1.00 62.40 H new ATOM 0 HD12 ILE A 10 3.006 13.263 -12.497 1.00 62.40 H new ATOM 0 HD13 ILE A 10 4.243 12.424 -11.530 1.00 62.40 H new ATOM 145 N TYR A 11 7.638 16.185 -11.190 1.00 33.25 N ATOM 146 CA TYR A 11 8.674 17.113 -11.626 1.00 23.33 C ATOM 147 C TYR A 11 9.700 17.343 -10.520 1.00 62.51 C ATOM 148 O TYR A 11 9.345 17.660 -9.385 1.00 21.43 O ATOM 149 CB TYR A 11 8.052 18.446 -12.044 1.00 72.22 C ATOM 150 CG TYR A 11 7.473 18.432 -13.441 1.00 64.01 C ATOM 151 CD1 TYR A 11 8.290 18.589 -14.554 1.00 51.21 C ATOM 152 CD2 TYR A 11 6.110 18.261 -13.648 1.00 20.52 C ATOM 153 CE1 TYR A 11 7.765 18.578 -15.832 1.00 45.01 C ATOM 154 CE2 TYR A 11 5.577 18.247 -14.922 1.00 60.53 C ATOM 155 CZ TYR A 11 6.409 18.406 -16.011 1.00 53.10 C ATOM 156 OH TYR A 11 5.883 18.393 -17.283 1.00 34.05 O ATOM 0 H TYR A 11 7.377 16.276 -10.208 1.00 33.25 H new ATOM 0 HA TYR A 11 9.183 16.672 -12.483 1.00 23.33 H new ATOM 0 HB2 TYR A 11 7.266 18.708 -11.336 1.00 72.22 H new ATOM 0 HB3 TYR A 11 8.810 19.227 -11.982 1.00 72.22 H new ATOM 0 HD1 TYR A 11 9.353 18.722 -14.418 1.00 51.21 H new ATOM 0 HD2 TYR A 11 5.456 18.137 -12.798 1.00 20.52 H new ATOM 0 HE1 TYR A 11 8.414 18.704 -16.686 1.00 45.01 H new ATOM 0 HE2 TYR A 11 4.515 18.112 -15.065 1.00 60.53 H new ATOM 0 HH TYR A 11 4.913 18.261 -17.235 1.00 34.05 H new ATOM 166 N ARG A 12 10.974 17.181 -10.861 1.00 64.43 N ATOM 167 CA ARG A 12 12.053 17.369 -9.899 1.00 10.52 C ATOM 168 C ARG A 12 12.182 18.839 -9.508 1.00 35.24 C ATOM 169 O ARG A 12 12.360 19.165 -8.335 1.00 24.23 O ATOM 170 CB ARG A 12 13.377 16.867 -10.479 1.00 15.42 C ATOM 171 CG ARG A 12 13.756 17.530 -11.793 1.00 73.22 C ATOM 172 CD ARG A 12 15.000 16.897 -12.397 1.00 54.14 C ATOM 173 NE ARG A 12 14.847 16.647 -13.828 1.00 54.31 N ATOM 174 CZ ARG A 12 15.748 16.004 -14.562 1.00 52.33 C ATOM 175 NH1 ARG A 12 16.860 15.548 -14.003 1.00 40.31 N ATOM 176 NH2 ARG A 12 15.537 15.816 -15.859 1.00 31.02 N ATOM 0 H ARG A 12 11.284 16.920 -11.797 1.00 64.43 H new ATOM 0 HA ARG A 12 11.814 16.792 -9.006 1.00 10.52 H new ATOM 0 HB2 ARG A 12 14.171 17.039 -9.752 1.00 15.42 H new ATOM 0 HB3 ARG A 12 13.312 15.790 -10.631 1.00 15.42 H new ATOM 0 HG2 ARG A 12 12.927 17.448 -12.496 1.00 73.22 H new ATOM 0 HG3 ARG A 12 13.931 18.593 -11.628 1.00 73.22 H new ATOM 0 HD2 ARG A 12 15.856 17.552 -12.233 1.00 54.14 H new ATOM 0 HD3 ARG A 12 15.214 15.958 -11.886 1.00 54.14 H new ATOM 0 HE ARG A 12 14.002 16.985 -14.289 1.00 54.31 H new ATOM 0 HH11 ARG A 12 17.026 15.691 -13.007 1.00 40.31 H new ATOM 0 HH12 ARG A 12 17.550 15.055 -14.569 1.00 40.31 H new ATOM 0 HH21 ARG A 12 14.682 16.165 -16.293 1.00 31.02 H new ATOM 0 HH22 ARG A 12 16.229 15.322 -16.422 1.00 31.02 H new ATOM 190 N GLU A 13 12.089 19.720 -10.499 1.00 5.03 N ATOM 191 CA GLU A 13 12.197 21.154 -10.257 1.00 50.13 C ATOM 192 C GLU A 13 11.129 21.622 -9.272 1.00 63.52 C ATOM 193 O GLU A 13 11.400 22.432 -8.386 1.00 3.03 O ATOM 194 CB GLU A 13 12.067 21.926 -11.572 1.00 12.21 C ATOM 195 CG GLU A 13 13.337 21.928 -12.405 1.00 63.01 C ATOM 196 CD GLU A 13 14.076 23.250 -12.339 1.00 43.54 C ATOM 197 OE1 GLU A 13 14.666 23.548 -11.279 1.00 60.33 O ATOM 198 OE2 GLU A 13 14.065 23.988 -13.347 1.00 32.11 O ATOM 0 H GLU A 13 11.939 19.466 -11.476 1.00 5.03 H new ATOM 0 HA GLU A 13 13.177 21.351 -9.823 1.00 50.13 H new ATOM 0 HB2 GLU A 13 11.258 21.492 -12.160 1.00 12.21 H new ATOM 0 HB3 GLU A 13 11.785 22.956 -11.353 1.00 12.21 H new ATOM 0 HG2 GLU A 13 13.995 21.131 -12.059 1.00 63.01 H new ATOM 0 HG3 GLU A 13 13.087 21.707 -13.443 1.00 63.01 H new ATOM 205 N ILE A 14 9.916 21.105 -9.435 1.00 51.31 N ATOM 206 CA ILE A 14 8.808 21.469 -8.561 1.00 31.03 C ATOM 207 C ILE A 14 9.132 21.156 -7.104 1.00 34.42 C ATOM 208 O ILE A 14 8.528 21.715 -6.189 1.00 52.32 O ATOM 209 CB ILE A 14 7.514 20.734 -8.957 1.00 14.23 C ATOM 210 CG1 ILE A 14 7.115 21.095 -10.389 1.00 73.43 C ATOM 211 CG2 ILE A 14 6.392 21.076 -7.987 1.00 4.41 C ATOM 212 CD1 ILE A 14 6.816 22.565 -10.582 1.00 23.03 C ATOM 0 H ILE A 14 9.676 20.433 -10.164 1.00 51.31 H new ATOM 0 HA ILE A 14 8.656 22.542 -8.674 1.00 31.03 H new ATOM 0 HB ILE A 14 7.695 19.660 -8.909 1.00 14.23 H new ATOM 0 HG12 ILE A 14 7.919 20.804 -11.065 1.00 73.43 H new ATOM 0 HG13 ILE A 14 6.236 20.514 -10.670 1.00 73.43 H new ATOM 0 HG21 ILE A 14 5.484 20.549 -8.280 1.00 4.41 H new ATOM 0 HG22 ILE A 14 6.678 20.774 -6.979 1.00 4.41 H new ATOM 0 HG23 ILE A 14 6.210 22.150 -8.006 1.00 4.41 H new ATOM 0 HD11 ILE A 14 6.540 22.747 -11.621 1.00 23.03 H new ATOM 0 HD12 ILE A 14 5.992 22.857 -9.931 1.00 23.03 H new ATOM 0 HD13 ILE A 14 7.700 23.152 -10.333 1.00 23.03 H new ATOM 224 N MET A 15 10.090 20.259 -6.896 1.00 71.51 N ATOM 225 CA MET A 15 10.496 19.873 -5.550 1.00 23.03 C ATOM 226 C MET A 15 10.842 21.101 -4.714 1.00 1.04 C ATOM 227 O MET A 15 10.757 21.071 -3.486 1.00 61.24 O ATOM 228 CB MET A 15 11.697 18.926 -5.608 1.00 11.53 C ATOM 229 CG MET A 15 12.061 18.323 -4.261 1.00 34.02 C ATOM 230 SD MET A 15 13.829 18.401 -3.919 1.00 44.25 S ATOM 231 CE MET A 15 14.189 16.676 -3.599 1.00 11.13 C ATOM 0 H MET A 15 10.600 19.786 -7.642 1.00 71.51 H new ATOM 0 HA MET A 15 9.659 19.358 -5.078 1.00 23.03 H new ATOM 0 HB2 MET A 15 11.481 18.121 -6.311 1.00 11.53 H new ATOM 0 HB3 MET A 15 12.558 19.468 -5.999 1.00 11.53 H new ATOM 0 HG2 MET A 15 11.519 18.848 -3.474 1.00 34.02 H new ATOM 0 HG3 MET A 15 11.735 17.283 -4.233 1.00 34.02 H new ATOM 0 HE1 MET A 15 15.249 16.562 -3.371 1.00 11.13 H new ATOM 0 HE2 MET A 15 13.596 16.332 -2.752 1.00 11.13 H new ATOM 0 HE3 MET A 15 13.941 16.083 -4.480 1.00 11.13 H new ATOM 241 N GLU A 16 11.232 22.179 -5.387 1.00 3.15 N ATOM 242 CA GLU A 16 11.592 23.416 -4.704 1.00 12.33 C ATOM 243 C GLU A 16 10.459 23.885 -3.794 1.00 63.24 C ATOM 244 O GLU A 16 10.661 24.117 -2.602 1.00 21.34 O ATOM 245 CB GLU A 16 11.928 24.508 -5.722 1.00 74.11 C ATOM 246 CG GLU A 16 13.288 24.333 -6.375 1.00 5.41 C ATOM 247 CD GLU A 16 14.404 24.162 -5.362 1.00 12.31 C ATOM 248 OE1 GLU A 16 14.829 25.176 -4.770 1.00 45.24 O ATOM 249 OE2 GLU A 16 14.851 23.013 -5.161 1.00 13.51 O ATOM 0 H GLU A 16 11.307 22.221 -6.403 1.00 3.15 H new ATOM 0 HA GLU A 16 12.471 23.219 -4.090 1.00 12.33 H new ATOM 0 HB2 GLU A 16 11.161 24.519 -6.497 1.00 74.11 H new ATOM 0 HB3 GLU A 16 11.895 25.478 -5.226 1.00 74.11 H new ATOM 0 HG2 GLU A 16 13.262 23.464 -7.032 1.00 5.41 H new ATOM 0 HG3 GLU A 16 13.500 25.199 -7.001 1.00 5.41 H new ATOM 256 N LEU A 17 9.268 24.022 -4.366 1.00 42.41 N ATOM 257 CA LEU A 17 8.102 24.464 -3.608 1.00 63.25 C ATOM 258 C LEU A 17 7.454 23.293 -2.876 1.00 53.33 C ATOM 259 O LEU A 17 7.153 23.383 -1.685 1.00 50.23 O ATOM 260 CB LEU A 17 7.085 25.125 -4.540 1.00 35.42 C ATOM 261 CG LEU A 17 6.183 26.184 -3.905 1.00 50.12 C ATOM 262 CD1 LEU A 17 6.673 27.581 -4.254 1.00 65.31 C ATOM 263 CD2 LEU A 17 4.741 25.996 -4.354 1.00 21.32 C ATOM 0 H LEU A 17 9.084 23.834 -5.351 1.00 42.41 H new ATOM 0 HA LEU A 17 8.434 25.192 -2.868 1.00 63.25 H new ATOM 0 HB2 LEU A 17 7.625 25.585 -5.367 1.00 35.42 H new ATOM 0 HB3 LEU A 17 6.453 24.346 -4.966 1.00 35.42 H new ATOM 0 HG LEU A 17 6.224 26.066 -2.822 1.00 50.12 H new ATOM 0 HD11 LEU A 17 6.019 28.322 -3.794 1.00 65.31 H new ATOM 0 HD12 LEU A 17 7.689 27.713 -3.883 1.00 65.31 H new ATOM 0 HD13 LEU A 17 6.662 27.711 -5.336 1.00 65.31 H new ATOM 0 HD21 LEU A 17 4.114 26.758 -3.892 1.00 21.32 H new ATOM 0 HD22 LEU A 17 4.683 26.087 -5.439 1.00 21.32 H new ATOM 0 HD23 LEU A 17 4.392 25.008 -4.053 1.00 21.32 H new ATOM 275 N CYS A 18 7.243 22.196 -3.595 1.00 42.30 N ATOM 276 CA CYS A 18 6.632 21.007 -3.013 1.00 75.32 C ATOM 277 C CYS A 18 7.288 20.653 -1.683 1.00 0.33 C ATOM 278 O CYS A 18 6.618 20.228 -0.741 1.00 50.14 O ATOM 279 CB CYS A 18 6.742 19.827 -3.980 1.00 31.43 C ATOM 280 SG CYS A 18 6.174 18.254 -3.292 1.00 61.30 S ATOM 0 H CYS A 18 7.486 22.106 -4.581 1.00 42.30 H new ATOM 0 HA CYS A 18 5.579 21.222 -2.831 1.00 75.32 H new ATOM 0 HB2 CYS A 18 6.163 20.050 -4.876 1.00 31.43 H new ATOM 0 HB3 CYS A 18 7.781 19.721 -4.291 1.00 31.43 H new ATOM 0 HG CYS A 18 5.342 17.694 -4.119 1.00 61.30 H new ATOM 286 N PHE A 19 8.603 20.830 -1.612 1.00 42.33 N ATOM 287 CA PHE A 19 9.351 20.528 -0.398 1.00 24.52 C ATOM 288 C PHE A 19 8.755 21.254 0.804 1.00 51.41 C ATOM 289 O PHE A 19 8.623 20.683 1.887 1.00 43.34 O ATOM 290 CB PHE A 19 10.821 20.920 -0.567 1.00 73.35 C ATOM 291 CG PHE A 19 11.648 20.691 0.665 1.00 2.40 C ATOM 292 CD1 PHE A 19 11.701 21.647 1.667 1.00 14.00 C ATOM 293 CD2 PHE A 19 12.373 19.521 0.822 1.00 41.11 C ATOM 294 CE1 PHE A 19 12.462 21.440 2.802 1.00 70.33 C ATOM 295 CE2 PHE A 19 13.136 19.308 1.955 1.00 50.13 C ATOM 296 CZ PHE A 19 13.180 20.268 2.946 1.00 15.33 C ATOM 0 H PHE A 19 9.173 21.181 -2.382 1.00 42.33 H new ATOM 0 HA PHE A 19 9.286 19.454 -0.220 1.00 24.52 H new ATOM 0 HB2 PHE A 19 11.248 20.350 -1.392 1.00 73.35 H new ATOM 0 HB3 PHE A 19 10.878 21.973 -0.843 1.00 73.35 H new ATOM 0 HD1 PHE A 19 11.141 22.564 1.560 1.00 14.00 H new ATOM 0 HD2 PHE A 19 12.342 18.766 0.050 1.00 41.11 H new ATOM 0 HE1 PHE A 19 12.496 22.193 3.575 1.00 70.33 H new ATOM 0 HE2 PHE A 19 13.697 18.392 2.065 1.00 50.13 H new ATOM 0 HZ PHE A 19 13.775 20.103 3.832 1.00 15.33 H new ATOM 306 N VAL A 20 8.396 22.519 0.605 1.00 71.31 N ATOM 307 CA VAL A 20 7.813 23.325 1.671 1.00 71.31 C ATOM 308 C VAL A 20 6.358 22.941 1.917 1.00 40.43 C ATOM 309 O VAL A 20 5.905 22.886 3.060 1.00 11.23 O ATOM 310 CB VAL A 20 7.888 24.828 1.343 1.00 30.20 C ATOM 311 CG1 VAL A 20 7.129 25.640 2.381 1.00 35.53 C ATOM 312 CG2 VAL A 20 9.337 25.282 1.255 1.00 22.21 C ATOM 0 H VAL A 20 8.499 23.007 -0.285 1.00 71.31 H new ATOM 0 HA VAL A 20 8.395 23.128 2.571 1.00 71.31 H new ATOM 0 HB VAL A 20 7.419 24.994 0.373 1.00 30.20 H new ATOM 0 HG11 VAL A 20 7.193 26.699 2.132 1.00 35.53 H new ATOM 0 HG12 VAL A 20 6.083 25.332 2.390 1.00 35.53 H new ATOM 0 HG13 VAL A 20 7.566 25.471 3.365 1.00 35.53 H new ATOM 0 HG21 VAL A 20 9.371 26.346 1.023 1.00 22.21 H new ATOM 0 HG22 VAL A 20 9.833 25.103 2.209 1.00 22.21 H new ATOM 0 HG23 VAL A 20 9.847 24.723 0.470 1.00 22.21 H new ATOM 322 N ILE A 21 5.631 22.677 0.836 1.00 20.04 N ATOM 323 CA ILE A 21 4.227 22.297 0.935 1.00 23.01 C ATOM 324 C ILE A 21 4.067 20.974 1.677 1.00 53.32 C ATOM 325 O ILE A 21 3.064 20.749 2.355 1.00 4.23 O ATOM 326 CB ILE A 21 3.578 22.175 -0.456 1.00 61.41 C ATOM 327 CG1 ILE A 21 3.877 23.419 -1.294 1.00 5.40 C ATOM 328 CG2 ILE A 21 2.077 21.967 -0.324 1.00 13.24 C ATOM 329 CD1 ILE A 21 3.509 24.715 -0.605 1.00 23.43 C ATOM 0 H ILE A 21 5.991 22.719 -0.118 1.00 20.04 H new ATOM 0 HA ILE A 21 3.724 23.087 1.493 1.00 23.01 H new ATOM 0 HB ILE A 21 4.002 21.308 -0.963 1.00 61.41 H new ATOM 0 HG12 ILE A 21 4.939 23.436 -1.538 1.00 5.40 H new ATOM 0 HG13 ILE A 21 3.334 23.351 -2.237 1.00 5.40 H new ATOM 0 HG21 ILE A 21 1.633 21.883 -1.316 1.00 13.24 H new ATOM 0 HG22 ILE A 21 1.884 21.054 0.239 1.00 13.24 H new ATOM 0 HG23 ILE A 21 1.637 22.816 0.200 1.00 13.24 H new ATOM 0 HD11 ILE A 21 3.749 25.555 -1.257 1.00 23.43 H new ATOM 0 HD12 ILE A 21 2.441 24.720 -0.385 1.00 23.43 H new ATOM 0 HD13 ILE A 21 4.072 24.806 0.324 1.00 23.43 H new ATOM 341 N ARG A 22 5.062 20.103 1.544 1.00 55.20 N ATOM 342 CA ARG A 22 5.031 18.803 2.202 1.00 21.41 C ATOM 343 C ARG A 22 5.187 18.954 3.712 1.00 22.25 C ATOM 344 O ARG A 22 4.761 18.091 4.482 1.00 43.44 O ATOM 345 CB ARG A 22 6.139 17.903 1.652 1.00 60.32 C ATOM 346 CG ARG A 22 6.345 16.630 2.456 1.00 24.40 C ATOM 347 CD ARG A 22 7.401 15.736 1.824 1.00 50.14 C ATOM 348 NE ARG A 22 7.681 14.558 2.640 1.00 45.11 N ATOM 349 CZ ARG A 22 8.350 14.601 3.787 1.00 13.22 C ATOM 350 NH1 ARG A 22 8.803 15.757 4.251 1.00 2.50 N ATOM 351 NH2 ARG A 22 8.565 13.486 4.473 1.00 22.12 N ATOM 0 H ARG A 22 5.899 20.274 0.987 1.00 55.20 H new ATOM 0 HA ARG A 22 4.064 18.344 1.998 1.00 21.41 H new ATOM 0 HB2 ARG A 22 5.902 17.638 0.622 1.00 60.32 H new ATOM 0 HB3 ARG A 22 7.073 18.464 1.630 1.00 60.32 H new ATOM 0 HG2 ARG A 22 6.644 16.885 3.473 1.00 24.40 H new ATOM 0 HG3 ARG A 22 5.403 16.087 2.527 1.00 24.40 H new ATOM 0 HD2 ARG A 22 7.065 15.421 0.836 1.00 50.14 H new ATOM 0 HD3 ARG A 22 8.320 16.305 1.682 1.00 50.14 H new ATOM 0 HE ARG A 22 7.345 13.653 2.312 1.00 45.11 H new ATOM 0 HH11 ARG A 22 8.638 16.617 3.727 1.00 2.50 H new ATOM 0 HH12 ARG A 22 9.316 15.787 5.132 1.00 2.50 H new ATOM 0 HH21 ARG A 22 8.217 12.595 4.120 1.00 22.12 H new ATOM 0 HH22 ARG A 22 9.079 13.520 5.354 1.00 22.12 H new ATOM 365 N THR A 23 5.801 20.056 4.131 1.00 24.05 N ATOM 366 CA THR A 23 6.015 20.320 5.549 1.00 65.23 C ATOM 367 C THR A 23 4.707 20.676 6.245 1.00 22.25 C ATOM 368 O THR A 23 4.553 20.455 7.446 1.00 34.32 O ATOM 369 CB THR A 23 7.025 21.464 5.761 1.00 72.10 C ATOM 370 OG1 THR A 23 6.378 22.728 5.579 1.00 53.20 O ATOM 371 CG2 THR A 23 8.192 21.342 4.793 1.00 2.03 C ATOM 0 H THR A 23 6.159 20.780 3.509 1.00 24.05 H new ATOM 0 HA THR A 23 6.417 19.405 5.984 1.00 65.23 H new ATOM 0 HB THR A 23 7.409 21.396 6.779 1.00 72.10 H new ATOM 0 HG1 THR A 23 5.852 22.710 4.752 1.00 53.20 H new ATOM 0 HG21 THR A 23 8.892 22.161 4.962 1.00 2.03 H new ATOM 0 HG22 THR A 23 8.700 20.391 4.954 1.00 2.03 H new ATOM 0 HG23 THR A 23 7.821 21.387 3.769 1.00 2.03 H new ATOM 379 N MET A 24 3.768 21.228 5.484 1.00 31.53 N ATOM 380 CA MET A 24 2.471 21.612 6.030 1.00 42.23 C ATOM 381 C MET A 24 1.448 20.498 5.837 1.00 71.44 C ATOM 382 O MET A 24 0.854 20.014 6.800 1.00 54.43 O ATOM 383 CB MET A 24 1.975 22.897 5.364 1.00 51.10 C ATOM 384 CG MET A 24 2.980 24.037 5.417 1.00 33.54 C ATOM 385 SD MET A 24 2.220 25.647 5.134 1.00 74.21 S ATOM 386 CE MET A 24 1.888 25.560 3.376 1.00 62.12 C ATOM 0 H MET A 24 3.880 21.419 4.488 1.00 31.53 H new ATOM 0 HA MET A 24 2.592 21.788 7.099 1.00 42.23 H new ATOM 0 HB2 MET A 24 1.732 22.686 4.323 1.00 51.10 H new ATOM 0 HB3 MET A 24 1.052 23.215 5.849 1.00 51.10 H new ATOM 0 HG2 MET A 24 3.472 24.038 6.390 1.00 33.54 H new ATOM 0 HG3 MET A 24 3.754 23.869 4.669 1.00 33.54 H new ATOM 0 HE1 MET A 24 1.063 26.228 3.128 1.00 62.12 H new ATOM 0 HE2 MET A 24 2.777 25.861 2.822 1.00 62.12 H new ATOM 0 HE3 MET A 24 1.621 24.538 3.106 1.00 62.12 H new ATOM 396 N ALA A 25 1.247 20.095 4.586 1.00 22.31 N ATOM 397 CA ALA A 25 0.297 19.036 4.268 1.00 41.22 C ATOM 398 C ALA A 25 0.939 17.661 4.412 1.00 21.50 C ATOM 399 O ALA A 25 2.154 17.515 4.280 1.00 44.45 O ATOM 400 CB ALA A 25 -0.247 19.222 2.859 1.00 33.41 C ATOM 0 H ALA A 25 1.729 20.486 3.777 1.00 22.31 H new ATOM 0 HA ALA A 25 -0.529 19.098 4.976 1.00 41.22 H new ATOM 0 HB1 ALA A 25 -0.955 18.425 2.634 1.00 33.41 H new ATOM 0 HB2 ALA A 25 -0.751 20.186 2.788 1.00 33.41 H new ATOM 0 HB3 ALA A 25 0.575 19.189 2.144 1.00 33.41 H new ATOM 406 N ARG A 26 0.115 16.654 4.685 1.00 64.12 N ATOM 407 CA ARG A 26 0.604 15.290 4.849 1.00 51.10 C ATOM 408 C ARG A 26 0.336 14.462 3.596 1.00 74.12 C ATOM 409 O ARG A 26 -0.442 13.507 3.624 1.00 2.24 O ATOM 410 CB ARG A 26 -0.058 14.631 6.060 1.00 32.13 C ATOM 411 CG ARG A 26 0.349 15.248 7.388 1.00 4.11 C ATOM 412 CD ARG A 26 1.510 14.495 8.020 1.00 75.22 C ATOM 413 NE ARG A 26 1.999 15.155 9.227 1.00 15.31 N ATOM 414 CZ ARG A 26 3.085 14.770 9.887 1.00 32.52 C ATOM 415 NH1 ARG A 26 3.792 13.733 9.459 1.00 74.21 N ATOM 416 NH2 ARG A 26 3.466 15.422 10.978 1.00 22.41 N ATOM 0 H ARG A 26 -0.894 16.757 4.797 1.00 64.12 H new ATOM 0 HA ARG A 26 1.681 15.334 5.011 1.00 51.10 H new ATOM 0 HB2 ARG A 26 -1.141 14.700 5.954 1.00 32.13 H new ATOM 0 HB3 ARG A 26 0.195 13.571 6.069 1.00 32.13 H new ATOM 0 HG2 ARG A 26 0.630 16.290 7.235 1.00 4.11 H new ATOM 0 HG3 ARG A 26 -0.502 15.244 8.069 1.00 4.11 H new ATOM 0 HD2 ARG A 26 1.194 13.481 8.264 1.00 75.22 H new ATOM 0 HD3 ARG A 26 2.323 14.411 7.299 1.00 75.22 H new ATOM 0 HE ARG A 26 1.478 15.956 9.583 1.00 15.31 H new ATOM 0 HH11 ARG A 26 3.502 13.229 8.621 1.00 74.21 H new ATOM 0 HH12 ARG A 26 4.626 13.439 9.968 1.00 74.21 H new ATOM 0 HH21 ARG A 26 2.924 16.220 11.311 1.00 22.41 H new ATOM 0 HH22 ARG A 26 4.300 15.125 11.484 1.00 22.41 H new ATOM 430 N HIS A 27 0.984 14.834 2.497 1.00 53.35 N ATOM 431 CA HIS A 27 0.815 14.126 1.233 1.00 61.03 C ATOM 432 C HIS A 27 1.076 12.633 1.408 1.00 73.13 C ATOM 433 O HIS A 27 0.587 11.813 0.631 1.00 62.54 O ATOM 434 CB HIS A 27 1.757 14.699 0.173 1.00 14.11 C ATOM 435 CG HIS A 27 3.177 14.252 0.329 1.00 24.23 C ATOM 436 ND1 HIS A 27 3.935 13.771 -0.718 1.00 54.11 N ATOM 437 CD2 HIS A 27 3.979 14.216 1.419 1.00 25.31 C ATOM 438 CE1 HIS A 27 5.140 13.457 -0.279 1.00 44.10 C ATOM 439 NE2 HIS A 27 5.194 13.718 1.015 1.00 73.13 N ATOM 0 H HIS A 27 1.631 15.622 2.456 1.00 53.35 H new ATOM 0 HA HIS A 27 -0.215 14.261 0.904 1.00 61.03 H new ATOM 0 HB2 HIS A 27 1.399 14.408 -0.815 1.00 14.11 H new ATOM 0 HB3 HIS A 27 1.721 15.788 0.217 1.00 14.11 H new ATOM 0 HD1 HIS A 27 3.615 13.673 -1.681 1.00 54.11 H new ATOM 0 HD2 HIS A 27 3.713 14.522 2.420 1.00 25.31 H new ATOM 0 HE1 HIS A 27 5.945 13.055 -0.876 1.00 44.10 H new ATOM 447 N ARG A 28 1.849 12.288 2.432 1.00 12.23 N ATOM 448 CA ARG A 28 2.176 10.894 2.708 1.00 53.43 C ATOM 449 C ARG A 28 0.917 10.032 2.713 1.00 62.52 C ATOM 450 O ARG A 28 0.927 8.899 2.229 1.00 11.43 O ATOM 451 CB ARG A 28 2.896 10.773 4.052 1.00 15.21 C ATOM 452 CG ARG A 28 4.091 9.835 4.021 1.00 40.15 C ATOM 453 CD ARG A 28 4.894 9.912 5.310 1.00 40.44 C ATOM 454 NE ARG A 28 4.273 9.148 6.388 1.00 62.11 N ATOM 455 CZ ARG A 28 4.876 8.881 7.541 1.00 0.11 C ATOM 456 NH1 ARG A 28 6.109 9.315 7.765 1.00 53.24 N ATOM 457 NH2 ARG A 28 4.245 8.179 8.474 1.00 44.10 N ATOM 0 H ARG A 28 2.261 12.955 3.085 1.00 12.23 H new ATOM 0 HA ARG A 28 2.836 10.538 1.917 1.00 53.43 H new ATOM 0 HB2 ARG A 28 3.229 11.762 4.366 1.00 15.21 H new ATOM 0 HB3 ARG A 28 2.189 10.422 4.803 1.00 15.21 H new ATOM 0 HG2 ARG A 28 3.748 8.812 3.865 1.00 40.15 H new ATOM 0 HG3 ARG A 28 4.732 10.088 3.176 1.00 40.15 H new ATOM 0 HD2 ARG A 28 5.901 9.535 5.133 1.00 40.44 H new ATOM 0 HD3 ARG A 28 4.992 10.954 5.614 1.00 40.44 H new ATOM 0 HE ARG A 28 3.324 8.800 6.248 1.00 62.11 H new ATOM 0 HH11 ARG A 28 6.597 9.856 7.051 1.00 53.24 H new ATOM 0 HH12 ARG A 28 6.569 9.108 8.651 1.00 53.24 H new ATOM 0 HH21 ARG A 28 3.296 7.844 8.306 1.00 44.10 H new ATOM 0 HH22 ARG A 28 4.709 7.974 9.359 1.00 44.10 H new ATOM 471 N ARG A 29 -0.164 10.574 3.263 1.00 1.40 N ATOM 472 CA ARG A 29 -1.429 9.854 3.333 1.00 74.23 C ATOM 473 C ARG A 29 -2.563 10.687 2.741 1.00 3.03 C ATOM 474 O ARG A 29 -3.706 10.236 2.670 1.00 51.11 O ATOM 475 CB ARG A 29 -1.754 9.489 4.782 1.00 25.55 C ATOM 476 CG ARG A 29 -2.329 8.091 4.944 1.00 2.04 C ATOM 477 CD ARG A 29 -1.828 7.427 6.217 1.00 35.45 C ATOM 478 NE ARG A 29 -0.646 6.604 5.977 1.00 31.31 N ATOM 479 CZ ARG A 29 -0.680 5.435 5.347 1.00 31.44 C ATOM 480 NH1 ARG A 29 -1.831 4.954 4.897 1.00 65.22 N ATOM 481 NH2 ARG A 29 0.439 4.744 5.167 1.00 54.10 N ATOM 0 H ARG A 29 -0.189 11.510 3.667 1.00 1.40 H new ATOM 0 HA ARG A 29 -1.329 8.939 2.749 1.00 74.23 H new ATOM 0 HB2 ARG A 29 -0.847 9.571 5.381 1.00 25.55 H new ATOM 0 HB3 ARG A 29 -2.465 10.213 5.180 1.00 25.55 H new ATOM 0 HG2 ARG A 29 -3.418 8.144 4.964 1.00 2.04 H new ATOM 0 HG3 ARG A 29 -2.055 7.482 4.083 1.00 2.04 H new ATOM 0 HD2 ARG A 29 -1.593 8.192 6.956 1.00 35.45 H new ATOM 0 HD3 ARG A 29 -2.620 6.809 6.639 1.00 35.45 H new ATOM 0 HE ARG A 29 0.255 6.945 6.311 1.00 31.31 H new ATOM 0 HH11 ARG A 29 -2.693 5.482 5.034 1.00 65.22 H new ATOM 0 HH12 ARG A 29 -1.854 4.056 4.414 1.00 65.22 H new ATOM 0 HH21 ARG A 29 1.326 5.111 5.513 1.00 54.10 H new ATOM 0 HH22 ARG A 29 0.412 3.846 4.683 1.00 54.10 H new ATOM 495 N ASP A 30 -2.237 11.904 2.320 1.00 74.15 N ATOM 496 CA ASP A 30 -3.227 12.800 1.734 1.00 54.32 C ATOM 497 C ASP A 30 -3.030 12.917 0.226 1.00 42.23 C ATOM 498 O ASP A 30 -3.522 13.852 -0.404 1.00 42.34 O ATOM 499 CB ASP A 30 -3.141 14.183 2.381 1.00 44.41 C ATOM 500 CG ASP A 30 -4.501 14.832 2.545 1.00 1.30 C ATOM 501 OD1 ASP A 30 -5.160 14.578 3.575 1.00 25.23 O ATOM 502 OD2 ASP A 30 -4.906 15.595 1.644 1.00 54.23 O ATOM 0 H ASP A 30 -1.295 12.293 2.374 1.00 74.15 H new ATOM 0 HA ASP A 30 -4.216 12.381 1.921 1.00 54.32 H new ATOM 0 HB2 ASP A 30 -2.664 14.095 3.357 1.00 44.41 H new ATOM 0 HB3 ASP A 30 -2.506 14.827 1.772 1.00 44.41 H new ATOM 507 N GLY A 31 -2.305 11.961 -0.347 1.00 43.12 N ATOM 508 CA GLY A 31 -2.054 11.976 -1.776 1.00 44.24 C ATOM 509 C GLY A 31 -1.522 13.312 -2.258 1.00 23.45 C ATOM 510 O GLY A 31 -0.349 13.629 -2.060 1.00 65.14 O ATOM 0 H GLY A 31 -1.887 11.176 0.153 1.00 43.12 H new ATOM 0 HA2 GLY A 31 -1.338 11.193 -2.024 1.00 44.24 H new ATOM 0 HA3 GLY A 31 -2.977 11.744 -2.306 1.00 44.24 H new ATOM 514 N LYS A 32 -2.385 14.097 -2.892 1.00 74.44 N ATOM 515 CA LYS A 32 -1.997 15.406 -3.404 1.00 72.53 C ATOM 516 C LYS A 32 -1.790 16.396 -2.263 1.00 45.33 C ATOM 517 O LYS A 32 -2.386 16.260 -1.194 1.00 65.25 O ATOM 518 CB LYS A 32 -3.062 15.936 -4.367 1.00 31.10 C ATOM 519 CG LYS A 32 -3.560 14.896 -5.356 1.00 45.34 C ATOM 520 CD LYS A 32 -2.413 14.274 -6.135 1.00 42.23 C ATOM 521 CE LYS A 32 -1.670 15.314 -6.959 1.00 45.42 C ATOM 522 NZ LYS A 32 -2.600 16.151 -7.766 1.00 52.13 N ATOM 0 H LYS A 32 -3.359 13.849 -3.064 1.00 74.44 H new ATOM 0 HA LYS A 32 -1.055 15.294 -3.940 1.00 72.53 H new ATOM 0 HB2 LYS A 32 -3.907 16.310 -3.790 1.00 31.10 H new ATOM 0 HB3 LYS A 32 -2.652 16.782 -4.918 1.00 31.10 H new ATOM 0 HG2 LYS A 32 -4.104 14.116 -4.823 1.00 45.34 H new ATOM 0 HG3 LYS A 32 -4.263 15.358 -6.049 1.00 45.34 H new ATOM 0 HD2 LYS A 32 -1.721 13.794 -5.444 1.00 42.23 H new ATOM 0 HD3 LYS A 32 -2.799 13.495 -6.793 1.00 42.23 H new ATOM 0 HE2 LYS A 32 -1.088 15.954 -6.296 1.00 45.42 H new ATOM 0 HE3 LYS A 32 -0.963 14.815 -7.622 1.00 45.42 H new ATOM 0 HZ1 LYS A 32 -2.060 16.678 -8.482 1.00 52.13 H new ATOM 0 HZ2 LYS A 32 -3.296 15.540 -8.238 1.00 52.13 H new ATOM 0 HZ3 LYS A 32 -3.094 16.821 -7.142 1.00 52.13 H new ATOM 536 N ILE A 33 -0.943 17.393 -2.498 1.00 62.00 N ATOM 537 CA ILE A 33 -0.660 18.407 -1.490 1.00 44.44 C ATOM 538 C ILE A 33 -1.396 19.707 -1.797 1.00 2.21 C ATOM 539 O ILE A 33 -1.403 20.174 -2.936 1.00 21.43 O ATOM 540 CB ILE A 33 0.850 18.697 -1.391 1.00 72.43 C ATOM 541 CG1 ILE A 33 1.653 17.547 -2.003 1.00 32.42 C ATOM 542 CG2 ILE A 33 1.253 18.919 0.059 1.00 75.51 C ATOM 543 CD1 ILE A 33 3.149 17.704 -1.846 1.00 20.23 C ATOM 0 H ILE A 33 -0.441 17.520 -3.377 1.00 62.00 H new ATOM 0 HA ILE A 33 -1.009 18.010 -0.537 1.00 44.44 H new ATOM 0 HB ILE A 33 1.068 19.606 -1.951 1.00 72.43 H new ATOM 0 HG12 ILE A 33 1.343 16.611 -1.538 1.00 32.42 H new ATOM 0 HG13 ILE A 33 1.413 17.471 -3.064 1.00 32.42 H new ATOM 0 HG21 ILE A 33 2.322 19.123 0.112 1.00 75.51 H new ATOM 0 HG22 ILE A 33 0.701 19.767 0.464 1.00 75.51 H new ATOM 0 HG23 ILE A 33 1.024 18.026 0.641 1.00 75.51 H new ATOM 0 HD11 ILE A 33 3.654 16.853 -2.303 1.00 20.23 H new ATOM 0 HD12 ILE A 33 3.472 18.623 -2.335 1.00 20.23 H new ATOM 0 HD13 ILE A 33 3.401 17.749 -0.786 1.00 20.23 H new ATOM 555 N GLN A 34 -2.012 20.287 -0.772 1.00 54.44 N ATOM 556 CA GLN A 34 -2.751 21.535 -0.933 1.00 24.44 C ATOM 557 C GLN A 34 -2.646 22.394 0.323 1.00 40.21 C ATOM 558 O GLN A 34 -2.712 21.887 1.443 1.00 71.24 O ATOM 559 CB GLN A 34 -4.220 21.246 -1.246 1.00 64.32 C ATOM 560 CG GLN A 34 -4.429 20.520 -2.566 1.00 23.05 C ATOM 561 CD GLN A 34 -4.527 19.017 -2.396 1.00 31.25 C ATOM 562 OE1 GLN A 34 -3.914 18.441 -1.496 1.00 70.34 O ATOM 563 NE2 GLN A 34 -5.301 18.372 -3.261 1.00 14.33 N ATOM 0 H GLN A 34 -2.014 19.914 0.177 1.00 54.44 H new ATOM 0 HA GLN A 34 -2.311 22.084 -1.766 1.00 24.44 H new ATOM 0 HB2 GLN A 34 -4.644 20.647 -0.440 1.00 64.32 H new ATOM 0 HB3 GLN A 34 -4.770 22.187 -1.267 1.00 64.32 H new ATOM 0 HG2 GLN A 34 -5.339 20.888 -3.039 1.00 23.05 H new ATOM 0 HG3 GLN A 34 -3.604 20.753 -3.239 1.00 23.05 H new ATOM 0 HE21 GLN A 34 -5.791 18.889 -3.991 1.00 14.33 H new ATOM 0 HE22 GLN A 34 -5.406 17.360 -3.195 1.00 14.33 H new ATOM 572 N VAL A 35 -2.482 23.699 0.129 1.00 61.02 N ATOM 573 CA VAL A 35 -2.369 24.630 1.245 1.00 23.34 C ATOM 574 C VAL A 35 -2.793 26.035 0.835 1.00 55.14 C ATOM 575 O VAL A 35 -2.667 26.420 -0.328 1.00 63.45 O ATOM 576 CB VAL A 35 -0.929 24.679 1.791 1.00 12.21 C ATOM 577 CG1 VAL A 35 -0.630 23.440 2.621 1.00 1.44 C ATOM 578 CG2 VAL A 35 0.068 24.821 0.651 1.00 72.31 C ATOM 0 H VAL A 35 -2.424 24.135 -0.791 1.00 61.02 H new ATOM 0 HA VAL A 35 -3.035 24.267 2.028 1.00 23.34 H new ATOM 0 HB VAL A 35 -0.833 25.551 2.438 1.00 12.21 H new ATOM 0 HG11 VAL A 35 0.391 23.492 2.998 1.00 1.44 H new ATOM 0 HG12 VAL A 35 -1.324 23.388 3.460 1.00 1.44 H new ATOM 0 HG13 VAL A 35 -0.743 22.551 2.001 1.00 1.44 H new ATOM 0 HG21 VAL A 35 1.080 24.854 1.055 1.00 72.31 H new ATOM 0 HG22 VAL A 35 -0.026 23.970 -0.023 1.00 72.31 H new ATOM 0 HG23 VAL A 35 -0.134 25.741 0.103 1.00 72.31 H new ATOM 588 N THR A 36 -3.299 26.800 1.798 1.00 45.04 N ATOM 589 CA THR A 36 -3.743 28.163 1.537 1.00 40.33 C ATOM 590 C THR A 36 -2.577 29.143 1.601 1.00 52.42 C ATOM 591 O THR A 36 -1.579 28.893 2.276 1.00 21.15 O ATOM 592 CB THR A 36 -4.825 28.603 2.541 1.00 3.41 C ATOM 593 OG1 THR A 36 -4.427 28.257 3.872 1.00 32.04 O ATOM 594 CG2 THR A 36 -6.160 27.950 2.219 1.00 72.10 C ATOM 0 H THR A 36 -3.411 26.498 2.766 1.00 45.04 H new ATOM 0 HA THR A 36 -4.166 28.171 0.532 1.00 40.33 H new ATOM 0 HB THR A 36 -4.941 29.684 2.466 1.00 3.41 H new ATOM 0 HG1 THR A 36 -5.119 28.541 4.505 1.00 32.04 H new ATOM 0 HG21 THR A 36 -6.908 28.276 2.942 1.00 72.10 H new ATOM 0 HG22 THR A 36 -6.474 28.239 1.216 1.00 72.10 H new ATOM 0 HG23 THR A 36 -6.056 26.866 2.268 1.00 72.10 H new ATOM 602 N PHE A 37 -2.710 30.261 0.894 1.00 33.11 N ATOM 603 CA PHE A 37 -1.667 31.279 0.871 1.00 40.53 C ATOM 604 C PHE A 37 -1.258 31.671 2.287 1.00 4.35 C ATOM 605 O PHE A 37 -0.071 31.737 2.607 1.00 54.21 O ATOM 606 CB PHE A 37 -2.148 32.515 0.107 1.00 62.24 C ATOM 607 CG PHE A 37 -1.323 33.742 0.371 1.00 65.35 C ATOM 608 CD1 PHE A 37 0.061 33.684 0.330 1.00 63.12 C ATOM 609 CD2 PHE A 37 -1.930 34.953 0.659 1.00 75.12 C ATOM 610 CE1 PHE A 37 0.823 34.811 0.573 1.00 11.21 C ATOM 611 CE2 PHE A 37 -1.174 36.084 0.903 1.00 60.25 C ATOM 612 CZ PHE A 37 0.205 36.013 0.859 1.00 75.15 C ATOM 0 H PHE A 37 -3.530 30.484 0.330 1.00 33.11 H new ATOM 0 HA PHE A 37 -0.798 30.861 0.363 1.00 40.53 H new ATOM 0 HB2 PHE A 37 -2.133 32.300 -0.962 1.00 62.24 H new ATOM 0 HB3 PHE A 37 -3.184 32.719 0.377 1.00 62.24 H new ATOM 0 HD1 PHE A 37 0.550 32.747 0.106 1.00 63.12 H new ATOM 0 HD2 PHE A 37 -3.008 35.014 0.693 1.00 75.12 H new ATOM 0 HE1 PHE A 37 1.901 34.752 0.539 1.00 11.21 H new ATOM 0 HE2 PHE A 37 -1.660 37.022 1.128 1.00 60.25 H new ATOM 0 HZ PHE A 37 0.799 36.895 1.048 1.00 75.15 H new ATOM 622 N GLY A 38 -2.250 31.931 3.133 1.00 10.35 N ATOM 623 CA GLY A 38 -1.974 32.314 4.506 1.00 42.23 C ATOM 624 C GLY A 38 -1.032 31.350 5.198 1.00 24.33 C ATOM 625 O GLY A 38 -0.072 31.767 5.845 1.00 3.30 O ATOM 0 H GLY A 38 -3.240 31.883 2.892 1.00 10.35 H new ATOM 0 HA2 GLY A 38 -1.541 33.314 4.521 1.00 42.23 H new ATOM 0 HA3 GLY A 38 -2.911 32.364 5.061 1.00 42.23 H new ATOM 629 N GLU A 39 -1.307 30.056 5.064 1.00 52.20 N ATOM 630 CA GLU A 39 -0.477 29.031 5.685 1.00 72.52 C ATOM 631 C GLU A 39 0.916 29.008 5.063 1.00 3.43 C ATOM 632 O GLU A 39 1.925 29.043 5.770 1.00 35.11 O ATOM 633 CB GLU A 39 -1.134 27.656 5.541 1.00 24.12 C ATOM 634 CG GLU A 39 -1.894 27.212 6.780 1.00 61.04 C ATOM 635 CD GLU A 39 -1.054 26.351 7.702 1.00 22.44 C ATOM 636 OE1 GLU A 39 0.170 26.252 7.473 1.00 53.42 O ATOM 637 OE2 GLU A 39 -1.621 25.775 8.655 1.00 64.23 O ATOM 0 H GLU A 39 -2.098 29.693 4.531 1.00 52.20 H new ATOM 0 HA GLU A 39 -0.379 29.271 6.744 1.00 72.52 H new ATOM 0 HB2 GLU A 39 -1.819 27.677 4.693 1.00 24.12 H new ATOM 0 HB3 GLU A 39 -0.366 26.918 5.312 1.00 24.12 H new ATOM 0 HG2 GLU A 39 -2.239 28.091 7.324 1.00 61.04 H new ATOM 0 HG3 GLU A 39 -2.781 26.656 6.478 1.00 61.04 H new ATOM 644 N LEU A 40 0.965 28.950 3.737 1.00 30.00 N ATOM 645 CA LEU A 40 2.234 28.923 3.019 1.00 63.45 C ATOM 646 C LEU A 40 3.119 30.095 3.430 1.00 13.15 C ATOM 647 O LEU A 40 4.294 29.917 3.752 1.00 52.03 O ATOM 648 CB LEU A 40 1.989 28.959 1.509 1.00 3.50 C ATOM 649 CG LEU A 40 2.427 27.720 0.727 1.00 1.35 C ATOM 650 CD1 LEU A 40 2.078 27.867 -0.745 1.00 74.03 C ATOM 651 CD2 LEU A 40 3.920 27.479 0.902 1.00 55.41 C ATOM 0 H LEU A 40 0.141 28.921 3.137 1.00 30.00 H new ATOM 0 HA LEU A 40 2.748 27.997 3.276 1.00 63.45 H new ATOM 0 HB2 LEU A 40 0.924 29.114 1.338 1.00 3.50 H new ATOM 0 HB3 LEU A 40 2.507 29.825 1.098 1.00 3.50 H new ATOM 0 HG LEU A 40 1.891 26.857 1.122 1.00 1.35 H new ATOM 0 HD11 LEU A 40 2.397 26.976 -1.285 1.00 74.03 H new ATOM 0 HD12 LEU A 40 1.000 27.990 -0.853 1.00 74.03 H new ATOM 0 HD13 LEU A 40 2.586 28.741 -1.154 1.00 74.03 H new ATOM 0 HD21 LEU A 40 4.214 26.593 0.339 1.00 55.41 H new ATOM 0 HD22 LEU A 40 4.474 28.343 0.535 1.00 55.41 H new ATOM 0 HD23 LEU A 40 4.143 27.328 1.958 1.00 55.41 H new ATOM 663 N PHE A 41 2.545 31.294 3.421 1.00 64.11 N ATOM 664 CA PHE A 41 3.281 32.496 3.795 1.00 41.22 C ATOM 665 C PHE A 41 3.781 32.403 5.233 1.00 32.45 C ATOM 666 O PHE A 41 4.965 32.601 5.505 1.00 41.53 O ATOM 667 CB PHE A 41 2.396 33.733 3.630 1.00 51.31 C ATOM 668 CG PHE A 41 3.161 35.026 3.657 1.00 71.43 C ATOM 669 CD1 PHE A 41 3.716 35.542 2.497 1.00 60.53 C ATOM 670 CD2 PHE A 41 3.324 35.725 4.842 1.00 64.33 C ATOM 671 CE1 PHE A 41 4.421 36.730 2.519 1.00 41.00 C ATOM 672 CE2 PHE A 41 4.028 36.914 4.870 1.00 42.10 C ATOM 673 CZ PHE A 41 4.576 37.418 3.707 1.00 63.23 C ATOM 0 H PHE A 41 1.573 31.459 3.159 1.00 64.11 H new ATOM 0 HA PHE A 41 4.144 32.584 3.134 1.00 41.22 H new ATOM 0 HB2 PHE A 41 1.855 33.660 2.686 1.00 51.31 H new ATOM 0 HB3 PHE A 41 1.650 33.745 4.425 1.00 51.31 H new ATOM 0 HD1 PHE A 41 3.596 35.010 1.565 1.00 60.53 H new ATOM 0 HD2 PHE A 41 2.896 35.336 5.754 1.00 64.33 H new ATOM 0 HE1 PHE A 41 4.851 37.120 1.608 1.00 41.00 H new ATOM 0 HE2 PHE A 41 4.149 37.448 5.801 1.00 42.10 H new ATOM 0 HZ PHE A 41 5.125 38.348 3.726 1.00 63.23 H new ATOM 683 N ASP A 42 2.870 32.099 6.151 1.00 14.22 N ATOM 684 CA ASP A 42 3.217 31.979 7.563 1.00 75.45 C ATOM 685 C ASP A 42 4.293 30.917 7.769 1.00 54.12 C ATOM 686 O ASP A 42 4.963 30.891 8.801 1.00 34.23 O ATOM 687 CB ASP A 42 1.976 31.632 8.387 1.00 72.32 C ATOM 688 CG ASP A 42 1.421 32.831 9.131 1.00 70.44 C ATOM 689 OD1 ASP A 42 2.224 33.604 9.693 1.00 44.20 O ATOM 690 OD2 ASP A 42 0.184 32.996 9.150 1.00 75.24 O ATOM 0 H ASP A 42 1.886 31.931 5.943 1.00 14.22 H new ATOM 0 HA ASP A 42 3.610 32.939 7.899 1.00 75.45 H new ATOM 0 HB2 ASP A 42 1.207 31.229 7.728 1.00 72.32 H new ATOM 0 HB3 ASP A 42 2.226 30.848 9.102 1.00 72.32 H new ATOM 695 N ARG A 43 4.452 30.043 6.780 1.00 14.23 N ATOM 696 CA ARG A 43 5.444 28.978 6.854 1.00 5.24 C ATOM 697 C ARG A 43 6.754 29.409 6.200 1.00 11.12 C ATOM 698 O ARG A 43 7.837 29.026 6.643 1.00 33.53 O ATOM 699 CB ARG A 43 4.917 27.712 6.178 1.00 74.31 C ATOM 700 CG ARG A 43 5.993 26.676 5.900 1.00 64.41 C ATOM 701 CD ARG A 43 6.703 26.254 7.177 1.00 64.22 C ATOM 702 NE ARG A 43 7.842 25.380 6.907 1.00 44.53 N ATOM 703 CZ ARG A 43 8.597 24.842 7.858 1.00 61.42 C ATOM 704 NH1 ARG A 43 8.335 25.085 9.134 1.00 13.14 N ATOM 705 NH2 ARG A 43 9.617 24.057 7.533 1.00 75.04 N ATOM 0 H ARG A 43 3.906 30.052 5.918 1.00 14.23 H new ATOM 0 HA ARG A 43 5.635 28.767 7.906 1.00 5.24 H new ATOM 0 HB2 ARG A 43 4.150 27.265 6.810 1.00 74.31 H new ATOM 0 HB3 ARG A 43 4.437 27.985 5.239 1.00 74.31 H new ATOM 0 HG2 ARG A 43 5.545 25.803 5.426 1.00 64.41 H new ATOM 0 HG3 ARG A 43 6.719 27.084 5.196 1.00 64.41 H new ATOM 0 HD2 ARG A 43 7.045 27.140 7.711 1.00 64.22 H new ATOM 0 HD3 ARG A 43 5.998 25.740 7.831 1.00 64.22 H new ATOM 0 HE ARG A 43 8.070 25.172 5.935 1.00 44.53 H new ATOM 0 HH11 ARG A 43 7.552 25.687 9.388 1.00 13.14 H new ATOM 0 HH12 ARG A 43 8.917 24.670 9.862 1.00 13.14 H new ATOM 0 HH21 ARG A 43 9.822 23.867 6.552 1.00 75.04 H new ATOM 0 HH22 ARG A 43 10.196 23.644 8.264 1.00 75.04 H new ATOM 719 N TYR A 44 6.647 30.207 5.144 1.00 13.50 N ATOM 720 CA TYR A 44 7.822 30.688 4.427 1.00 54.12 C ATOM 721 C TYR A 44 8.478 31.847 5.171 1.00 23.54 C ATOM 722 O TYR A 44 9.682 32.075 5.051 1.00 70.03 O ATOM 723 CB TYR A 44 7.437 31.128 3.013 1.00 5.21 C ATOM 724 CG TYR A 44 7.962 30.213 1.930 1.00 22.43 C ATOM 725 CD1 TYR A 44 7.297 29.037 1.604 1.00 1.30 C ATOM 726 CD2 TYR A 44 9.123 30.524 1.233 1.00 61.32 C ATOM 727 CE1 TYR A 44 7.774 28.198 0.616 1.00 35.40 C ATOM 728 CE2 TYR A 44 9.606 29.691 0.242 1.00 20.41 C ATOM 729 CZ TYR A 44 8.928 28.529 -0.062 1.00 61.42 C ATOM 730 OH TYR A 44 9.405 27.696 -1.048 1.00 61.51 O ATOM 0 H TYR A 44 5.758 30.535 4.765 1.00 13.50 H new ATOM 0 HA TYR A 44 8.538 29.869 4.364 1.00 54.12 H new ATOM 0 HB2 TYR A 44 6.351 31.177 2.940 1.00 5.21 H new ATOM 0 HB3 TYR A 44 7.814 32.136 2.840 1.00 5.21 H new ATOM 0 HD1 TYR A 44 6.392 28.775 2.132 1.00 1.30 H new ATOM 0 HD2 TYR A 44 9.657 31.432 1.470 1.00 61.32 H new ATOM 0 HE1 TYR A 44 7.246 27.287 0.376 1.00 35.40 H new ATOM 0 HE2 TYR A 44 10.509 29.948 -0.291 1.00 20.41 H new ATOM 0 HH TYR A 44 8.656 27.227 -1.471 1.00 61.51 H new ATOM 740 N VAL A 45 7.678 32.575 5.943 1.00 53.32 N ATOM 741 CA VAL A 45 8.179 33.709 6.709 1.00 5.54 C ATOM 742 C VAL A 45 9.321 33.290 7.628 1.00 22.23 C ATOM 743 O VAL A 45 10.192 34.094 7.960 1.00 1.23 O ATOM 744 CB VAL A 45 7.064 34.353 7.555 1.00 24.41 C ATOM 745 CG1 VAL A 45 6.003 34.971 6.658 1.00 34.51 C ATOM 746 CG2 VAL A 45 6.449 33.326 8.494 1.00 2.01 C ATOM 0 H VAL A 45 6.679 32.399 6.054 1.00 53.32 H new ATOM 0 HA VAL A 45 8.546 34.440 5.988 1.00 5.54 H new ATOM 0 HB VAL A 45 7.502 35.148 8.159 1.00 24.41 H new ATOM 0 HG11 VAL A 45 5.224 35.421 7.273 1.00 34.51 H new ATOM 0 HG12 VAL A 45 6.458 35.738 6.031 1.00 34.51 H new ATOM 0 HG13 VAL A 45 5.565 34.198 6.026 1.00 34.51 H new ATOM 0 HG21 VAL A 45 5.663 33.797 9.084 1.00 2.01 H new ATOM 0 HG22 VAL A 45 6.024 32.509 7.911 1.00 2.01 H new ATOM 0 HG23 VAL A 45 7.218 32.935 9.160 1.00 2.01 H new ATOM 756 N ARG A 46 9.311 32.025 8.036 1.00 61.23 N ATOM 757 CA ARG A 46 10.346 31.498 8.917 1.00 32.23 C ATOM 758 C ARG A 46 11.504 30.918 8.110 1.00 31.15 C ATOM 759 O ARG A 46 12.381 30.249 8.658 1.00 1.30 O ATOM 760 CB ARG A 46 9.763 30.424 9.837 1.00 21.45 C ATOM 761 CG ARG A 46 8.775 30.966 10.858 1.00 63.15 C ATOM 762 CD ARG A 46 9.269 30.752 12.280 1.00 43.13 C ATOM 763 NE ARG A 46 9.220 29.346 12.670 1.00 25.34 N ATOM 764 CZ ARG A 46 8.112 28.732 13.070 1.00 61.14 C ATOM 765 NH1 ARG A 46 6.967 29.397 13.130 1.00 11.30 N ATOM 766 NH2 ARG A 46 8.148 27.450 13.409 1.00 71.41 N ATOM 0 H ARG A 46 8.597 31.346 7.770 1.00 61.23 H new ATOM 0 HA ARG A 46 10.725 32.320 9.524 1.00 32.23 H new ATOM 0 HB2 ARG A 46 9.266 29.668 9.229 1.00 21.45 H new ATOM 0 HB3 ARG A 46 10.578 29.926 10.362 1.00 21.45 H new ATOM 0 HG2 ARG A 46 8.617 32.030 10.683 1.00 63.15 H new ATOM 0 HG3 ARG A 46 7.811 30.475 10.729 1.00 63.15 H new ATOM 0 HD2 ARG A 46 10.292 31.117 12.367 1.00 43.13 H new ATOM 0 HD3 ARG A 46 8.661 31.340 12.967 1.00 43.13 H new ATOM 0 HE ARG A 46 10.084 28.805 12.633 1.00 25.34 H new ATOM 0 HH11 ARG A 46 6.935 30.382 12.869 1.00 11.30 H new ATOM 0 HH12 ARG A 46 6.118 28.923 13.437 1.00 11.30 H new ATOM 0 HH21 ARG A 46 9.027 26.935 13.363 1.00 71.41 H new ATOM 0 HH22 ARG A 46 7.297 26.980 13.716 1.00 71.41 H new ATOM 780 N ILE A 47 11.499 31.178 6.808 1.00 43.25 N ATOM 781 CA ILE A 47 12.549 30.683 5.926 1.00 23.23 C ATOM 782 C ILE A 47 13.080 31.793 5.025 1.00 74.41 C ATOM 783 O ILE A 47 14.203 32.264 5.199 1.00 1.43 O ATOM 784 CB ILE A 47 12.047 29.521 5.049 1.00 35.24 C ATOM 785 CG1 ILE A 47 11.556 28.367 5.926 1.00 34.10 C ATOM 786 CG2 ILE A 47 13.148 29.049 4.112 1.00 3.51 C ATOM 787 CD1 ILE A 47 10.766 27.324 5.166 1.00 12.41 C ATOM 0 H ILE A 47 10.780 31.729 6.340 1.00 43.25 H new ATOM 0 HA ILE A 47 13.354 30.322 6.566 1.00 23.23 H new ATOM 0 HB ILE A 47 11.212 29.876 4.446 1.00 35.24 H new ATOM 0 HG12 ILE A 47 12.415 27.889 6.397 1.00 34.10 H new ATOM 0 HG13 ILE A 47 10.935 28.769 6.727 1.00 34.10 H new ATOM 0 HG21 ILE A 47 12.777 28.227 3.499 1.00 3.51 H new ATOM 0 HG22 ILE A 47 13.455 29.873 3.467 1.00 3.51 H new ATOM 0 HG23 ILE A 47 14.002 28.708 4.697 1.00 3.51 H new ATOM 0 HD11 ILE A 47 10.450 26.537 5.850 1.00 12.41 H new ATOM 0 HD12 ILE A 47 9.888 27.788 4.717 1.00 12.41 H new ATOM 0 HD13 ILE A 47 11.390 26.895 4.382 1.00 12.41 H new ATOM 799 N SER A 48 12.262 32.206 4.062 1.00 45.33 N ATOM 800 CA SER A 48 12.650 33.260 3.131 1.00 73.01 C ATOM 801 C SER A 48 11.609 34.376 3.110 1.00 24.22 C ATOM 802 O SER A 48 11.944 35.549 2.943 1.00 23.33 O ATOM 803 CB SER A 48 12.827 32.687 1.724 1.00 64.43 C ATOM 804 OG SER A 48 13.935 33.279 1.068 1.00 53.45 O ATOM 0 H SER A 48 11.328 31.828 3.906 1.00 45.33 H new ATOM 0 HA SER A 48 13.599 33.677 3.468 1.00 73.01 H new ATOM 0 HB2 SER A 48 12.969 31.608 1.783 1.00 64.43 H new ATOM 0 HB3 SER A 48 11.922 32.858 1.142 1.00 64.43 H new ATOM 0 HG SER A 48 14.227 32.701 0.332 1.00 53.45 H new ATOM 810 N ASP A 49 10.346 34.001 3.281 1.00 43.44 N ATOM 811 CA ASP A 49 9.256 34.969 3.283 1.00 54.42 C ATOM 812 C ASP A 49 9.046 35.555 1.890 1.00 71.23 C ATOM 813 O ASP A 49 9.236 36.752 1.672 1.00 21.41 O ATOM 814 CB ASP A 49 9.542 36.091 4.283 1.00 62.52 C ATOM 815 CG ASP A 49 8.275 36.746 4.796 1.00 24.05 C ATOM 816 OD1 ASP A 49 7.177 36.324 4.377 1.00 12.44 O ATOM 817 OD2 ASP A 49 8.382 37.680 5.618 1.00 23.02 O ATOM 0 H ASP A 49 10.052 33.034 3.420 1.00 43.44 H new ATOM 0 HA ASP A 49 8.345 34.451 3.581 1.00 54.42 H new ATOM 0 HB2 ASP A 49 10.106 35.689 5.125 1.00 62.52 H new ATOM 0 HB3 ASP A 49 10.171 36.845 3.809 1.00 62.52 H new ATOM 822 N LYS A 50 8.654 34.703 0.949 1.00 73.15 N ATOM 823 CA LYS A 50 8.418 35.134 -0.424 1.00 54.22 C ATOM 824 C LYS A 50 7.847 33.994 -1.262 1.00 42.41 C ATOM 825 O LYS A 50 8.153 33.869 -2.448 1.00 24.31 O ATOM 826 CB LYS A 50 9.718 35.642 -1.052 1.00 33.41 C ATOM 827 CG LYS A 50 10.735 34.545 -1.314 1.00 61.22 C ATOM 828 CD LYS A 50 12.041 34.809 -0.584 1.00 10.15 C ATOM 829 CE LYS A 50 12.695 36.098 -1.059 1.00 34.42 C ATOM 830 NZ LYS A 50 14.164 36.096 -0.818 1.00 22.32 N ATOM 0 H LYS A 50 8.493 33.709 1.112 1.00 73.15 H new ATOM 0 HA LYS A 50 7.691 35.946 -0.403 1.00 54.22 H new ATOM 0 HB2 LYS A 50 9.486 36.143 -1.992 1.00 33.41 H new ATOM 0 HB3 LYS A 50 10.162 36.388 -0.394 1.00 33.41 H new ATOM 0 HG2 LYS A 50 10.327 33.586 -0.996 1.00 61.22 H new ATOM 0 HG3 LYS A 50 10.924 34.471 -2.385 1.00 61.22 H new ATOM 0 HD2 LYS A 50 11.854 34.868 0.488 1.00 10.15 H new ATOM 0 HD3 LYS A 50 12.723 33.974 -0.743 1.00 10.15 H new ATOM 0 HE2 LYS A 50 12.502 36.232 -2.123 1.00 34.42 H new ATOM 0 HE3 LYS A 50 12.244 36.946 -0.543 1.00 34.42 H new ATOM 0 HZ1 LYS A 50 14.572 36.991 -1.155 1.00 22.32 H new ATOM 0 HZ2 LYS A 50 14.349 35.993 0.200 1.00 22.32 H new ATOM 0 HZ3 LYS A 50 14.599 35.302 -1.330 1.00 22.32 H new ATOM 844 N VAL A 51 7.015 33.166 -0.638 1.00 40.35 N ATOM 845 CA VAL A 51 6.400 32.038 -1.328 1.00 13.43 C ATOM 846 C VAL A 51 5.673 32.495 -2.588 1.00 32.52 C ATOM 847 O VAL A 51 5.803 31.883 -3.648 1.00 74.12 O ATOM 848 CB VAL A 51 5.405 31.297 -0.414 1.00 41.43 C ATOM 849 CG1 VAL A 51 4.387 32.268 0.165 1.00 73.34 C ATOM 850 CG2 VAL A 51 4.713 30.178 -1.178 1.00 4.22 C ATOM 0 H VAL A 51 6.751 33.255 0.343 1.00 40.35 H new ATOM 0 HA VAL A 51 7.205 31.357 -1.604 1.00 13.43 H new ATOM 0 HB VAL A 51 5.959 30.853 0.413 1.00 41.43 H new ATOM 0 HG11 VAL A 51 3.693 31.727 0.808 1.00 73.34 H new ATOM 0 HG12 VAL A 51 4.903 33.031 0.749 1.00 73.34 H new ATOM 0 HG13 VAL A 51 3.835 32.743 -0.646 1.00 73.34 H new ATOM 0 HG21 VAL A 51 4.014 29.665 -0.518 1.00 4.22 H new ATOM 0 HG22 VAL A 51 4.171 30.597 -2.026 1.00 4.22 H new ATOM 0 HG23 VAL A 51 5.458 29.469 -1.539 1.00 4.22 H new ATOM 860 N VAL A 52 4.907 33.574 -2.465 1.00 1.13 N ATOM 861 CA VAL A 52 4.160 34.114 -3.594 1.00 50.33 C ATOM 862 C VAL A 52 5.077 34.382 -4.782 1.00 61.33 C ATOM 863 O VAL A 52 4.697 34.170 -5.933 1.00 42.42 O ATOM 864 CB VAL A 52 3.435 35.419 -3.215 1.00 43.52 C ATOM 865 CG1 VAL A 52 2.862 36.091 -4.454 1.00 35.13 C ATOM 866 CG2 VAL A 52 2.343 35.144 -2.193 1.00 54.23 C ATOM 0 H VAL A 52 4.788 34.092 -1.594 1.00 1.13 H new ATOM 0 HA VAL A 52 3.420 33.363 -3.872 1.00 50.33 H new ATOM 0 HB VAL A 52 4.158 36.099 -2.765 1.00 43.52 H new ATOM 0 HG11 VAL A 52 2.354 37.011 -4.167 1.00 35.13 H new ATOM 0 HG12 VAL A 52 3.670 36.324 -5.148 1.00 35.13 H new ATOM 0 HG13 VAL A 52 2.152 35.420 -4.936 1.00 35.13 H new ATOM 0 HG21 VAL A 52 1.841 36.077 -1.937 1.00 54.23 H new ATOM 0 HG22 VAL A 52 1.619 34.446 -2.613 1.00 54.23 H new ATOM 0 HG23 VAL A 52 2.785 34.711 -1.296 1.00 54.23 H new ATOM 876 N GLY A 53 6.289 34.848 -4.495 1.00 33.03 N ATOM 877 CA GLY A 53 7.242 35.136 -5.550 1.00 3.50 C ATOM 878 C GLY A 53 7.719 33.884 -6.259 1.00 53.42 C ATOM 879 O GLY A 53 7.998 33.911 -7.458 1.00 72.53 O ATOM 0 H GLY A 53 6.627 35.031 -3.550 1.00 33.03 H new ATOM 0 HA2 GLY A 53 6.784 35.808 -6.275 1.00 3.50 H new ATOM 0 HA3 GLY A 53 8.100 35.660 -5.128 1.00 3.50 H new ATOM 883 N ILE A 54 7.814 32.786 -5.517 1.00 54.15 N ATOM 884 CA ILE A 54 8.260 31.519 -6.083 1.00 43.22 C ATOM 885 C ILE A 54 7.152 30.860 -6.897 1.00 64.43 C ATOM 886 O ILE A 54 7.415 30.197 -7.902 1.00 24.34 O ATOM 887 CB ILE A 54 8.724 30.545 -4.985 1.00 24.44 C ATOM 888 CG1 ILE A 54 9.884 31.151 -4.191 1.00 74.10 C ATOM 889 CG2 ILE A 54 9.133 29.213 -5.596 1.00 63.12 C ATOM 890 CD1 ILE A 54 9.898 30.742 -2.735 1.00 11.33 C ATOM 0 H ILE A 54 7.588 32.748 -4.523 1.00 54.15 H new ATOM 0 HA ILE A 54 9.102 31.744 -6.737 1.00 43.22 H new ATOM 0 HB ILE A 54 7.893 30.370 -4.302 1.00 24.44 H new ATOM 0 HG12 ILE A 54 10.825 30.852 -4.653 1.00 74.10 H new ATOM 0 HG13 ILE A 54 9.828 32.238 -4.254 1.00 74.10 H new ATOM 0 HG21 ILE A 54 9.459 28.535 -4.807 1.00 63.12 H new ATOM 0 HG22 ILE A 54 8.283 28.777 -6.121 1.00 63.12 H new ATOM 0 HG23 ILE A 54 9.951 29.371 -6.299 1.00 63.12 H new ATOM 0 HD11 ILE A 54 10.746 31.208 -2.234 1.00 11.33 H new ATOM 0 HD12 ILE A 54 8.973 31.065 -2.258 1.00 11.33 H new ATOM 0 HD13 ILE A 54 9.985 29.658 -2.662 1.00 11.33 H new ATOM 902 N LEU A 55 5.912 31.047 -6.459 1.00 64.21 N ATOM 903 CA LEU A 55 4.762 30.472 -7.148 1.00 64.52 C ATOM 904 C LEU A 55 4.790 30.815 -8.634 1.00 62.11 C ATOM 905 O LEU A 55 4.317 30.044 -9.468 1.00 64.52 O ATOM 906 CB LEU A 55 3.462 30.977 -6.521 1.00 31.53 C ATOM 907 CG LEU A 55 3.181 30.511 -5.092 1.00 20.43 C ATOM 908 CD1 LEU A 55 1.799 30.962 -4.645 1.00 3.32 C ATOM 909 CD2 LEU A 55 3.309 28.998 -4.989 1.00 74.42 C ATOM 0 H LEU A 55 5.677 31.592 -5.630 1.00 64.21 H new ATOM 0 HA LEU A 55 4.812 29.388 -7.043 1.00 64.52 H new ATOM 0 HB2 LEU A 55 3.477 32.067 -6.530 1.00 31.53 H new ATOM 0 HB3 LEU A 55 2.631 30.664 -7.154 1.00 31.53 H new ATOM 0 HG LEU A 55 3.920 30.964 -4.431 1.00 20.43 H new ATOM 0 HD11 LEU A 55 1.617 30.621 -3.626 1.00 3.32 H new ATOM 0 HD12 LEU A 55 1.743 32.050 -4.679 1.00 3.32 H new ATOM 0 HD13 LEU A 55 1.046 30.539 -5.309 1.00 3.32 H new ATOM 0 HD21 LEU A 55 3.106 28.685 -3.965 1.00 74.42 H new ATOM 0 HD22 LEU A 55 2.593 28.526 -5.662 1.00 74.42 H new ATOM 0 HD23 LEU A 55 4.320 28.699 -5.266 1.00 74.42 H new ATOM 921 N MET A 56 5.349 31.976 -8.957 1.00 43.53 N ATOM 922 CA MET A 56 5.442 32.420 -10.343 1.00 51.05 C ATOM 923 C MET A 56 6.246 31.429 -11.179 1.00 5.23 C ATOM 924 O MET A 56 5.951 31.210 -12.354 1.00 4.43 O ATOM 925 CB MET A 56 6.085 33.806 -10.416 1.00 1.32 C ATOM 926 CG MET A 56 5.315 34.874 -9.656 1.00 54.13 C ATOM 927 SD MET A 56 5.163 36.413 -10.584 1.00 34.22 S ATOM 928 CE MET A 56 6.128 37.522 -9.560 1.00 73.34 C ATOM 0 H MET A 56 5.744 32.627 -8.278 1.00 43.53 H new ATOM 0 HA MET A 56 4.432 32.475 -10.749 1.00 51.05 H new ATOM 0 HB2 MET A 56 7.099 33.749 -10.019 1.00 1.32 H new ATOM 0 HB3 MET A 56 6.168 34.104 -11.461 1.00 1.32 H new ATOM 0 HG2 MET A 56 4.320 34.498 -9.417 1.00 54.13 H new ATOM 0 HG3 MET A 56 5.816 35.073 -8.709 1.00 54.13 H new ATOM 0 HE1 MET A 56 6.129 38.518 -10.003 1.00 73.34 H new ATOM 0 HE2 MET A 56 5.691 37.569 -8.563 1.00 73.34 H new ATOM 0 HE3 MET A 56 7.152 37.154 -9.490 1.00 73.34 H new ATOM 938 N ARG A 57 7.264 30.833 -10.565 1.00 15.32 N ATOM 939 CA ARG A 57 8.111 29.867 -11.253 1.00 1.11 C ATOM 940 C ARG A 57 7.354 28.568 -11.513 1.00 51.15 C ATOM 941 O ARG A 57 7.266 28.107 -12.651 1.00 12.00 O ATOM 942 CB ARG A 57 9.368 29.581 -10.429 1.00 34.24 C ATOM 943 CG ARG A 57 10.189 28.416 -10.955 1.00 62.53 C ATOM 944 CD ARG A 57 11.382 28.124 -10.058 1.00 13.02 C ATOM 945 NE ARG A 57 12.505 27.563 -10.805 1.00 15.34 N ATOM 946 CZ ARG A 57 13.717 27.392 -10.290 1.00 2.10 C ATOM 947 NH1 ARG A 57 13.962 27.736 -9.033 1.00 42.12 N ATOM 948 NH2 ARG A 57 14.688 26.875 -11.033 1.00 14.31 N ATOM 0 H ARG A 57 7.521 31.003 -9.593 1.00 15.32 H new ATOM 0 HA ARG A 57 8.403 30.295 -12.212 1.00 1.11 H new ATOM 0 HB2 ARG A 57 9.991 30.475 -10.411 1.00 34.24 H new ATOM 0 HB3 ARG A 57 9.078 29.374 -9.399 1.00 34.24 H new ATOM 0 HG2 ARG A 57 9.560 27.529 -11.025 1.00 62.53 H new ATOM 0 HG3 ARG A 57 10.537 28.641 -11.963 1.00 62.53 H new ATOM 0 HD2 ARG A 57 11.698 29.043 -9.565 1.00 13.02 H new ATOM 0 HD3 ARG A 57 11.084 27.428 -9.274 1.00 13.02 H new ATOM 0 HE ARG A 57 12.350 27.288 -11.775 1.00 15.34 H new ATOM 0 HH11 ARG A 57 13.218 28.133 -8.459 1.00 42.12 H new ATOM 0 HH12 ARG A 57 14.894 27.603 -8.640 1.00 42.12 H new ATOM 0 HH21 ARG A 57 14.503 26.609 -12.000 1.00 14.31 H new ATOM 0 HH22 ARG A 57 15.619 26.744 -10.637 1.00 14.31 H new ATOM 962 N ALA A 58 6.810 27.983 -10.451 1.00 53.24 N ATOM 963 CA ALA A 58 6.059 26.739 -10.565 1.00 62.14 C ATOM 964 C ALA A 58 4.879 26.895 -11.519 1.00 21.15 C ATOM 965 O ALA A 58 4.493 25.948 -12.203 1.00 72.43 O ATOM 966 CB ALA A 58 5.577 26.286 -9.195 1.00 61.12 C ATOM 0 H ALA A 58 6.875 28.351 -9.502 1.00 53.24 H new ATOM 0 HA ALA A 58 6.724 25.978 -10.974 1.00 62.14 H new ATOM 0 HB1 ALA A 58 5.018 25.356 -9.295 1.00 61.12 H new ATOM 0 HB2 ALA A 58 6.435 26.125 -8.542 1.00 61.12 H new ATOM 0 HB3 ALA A 58 4.932 27.052 -8.764 1.00 61.12 H new ATOM 972 N ARG A 59 4.310 28.095 -11.557 1.00 2.40 N ATOM 973 CA ARG A 59 3.173 28.374 -12.425 1.00 54.20 C ATOM 974 C ARG A 59 3.566 28.250 -13.894 1.00 61.50 C ATOM 975 O ARG A 59 2.733 27.944 -14.748 1.00 1.33 O ATOM 976 CB ARG A 59 2.625 29.776 -12.150 1.00 4.12 C ATOM 977 CG ARG A 59 1.181 29.962 -12.584 1.00 52.12 C ATOM 978 CD ARG A 59 1.032 31.141 -13.534 1.00 31.35 C ATOM 979 NE ARG A 59 1.311 30.767 -14.918 1.00 3.45 N ATOM 980 CZ ARG A 59 1.306 31.631 -15.927 1.00 74.20 C ATOM 981 NH1 ARG A 59 1.037 32.910 -15.708 1.00 15.42 N ATOM 982 NH2 ARG A 59 1.570 31.215 -17.159 1.00 31.30 N ATOM 0 H ARG A 59 4.618 28.890 -10.997 1.00 2.40 H new ATOM 0 HA ARG A 59 2.397 27.639 -12.211 1.00 54.20 H new ATOM 0 HB2 ARG A 59 2.704 29.985 -11.083 1.00 4.12 H new ATOM 0 HB3 ARG A 59 3.247 30.508 -12.665 1.00 4.12 H new ATOM 0 HG2 ARG A 59 0.827 29.054 -13.071 1.00 52.12 H new ATOM 0 HG3 ARG A 59 0.554 30.119 -11.707 1.00 52.12 H new ATOM 0 HD2 ARG A 59 0.019 31.538 -13.463 1.00 31.35 H new ATOM 0 HD3 ARG A 59 1.710 31.939 -13.230 1.00 31.35 H new ATOM 0 HE ARG A 59 1.521 29.790 -15.121 1.00 3.45 H new ATOM 0 HH11 ARG A 59 0.833 33.234 -14.762 1.00 15.42 H new ATOM 0 HH12 ARG A 59 1.034 33.571 -16.485 1.00 15.42 H new ATOM 0 HH21 ARG A 59 1.777 30.231 -17.332 1.00 31.30 H new ATOM 0 HH22 ARG A 59 1.566 31.879 -17.933 1.00 31.30 H new ATOM 996 N LYS A 60 4.841 28.488 -14.182 1.00 2.22 N ATOM 997 CA LYS A 60 5.347 28.402 -15.547 1.00 10.34 C ATOM 998 C LYS A 60 4.967 27.070 -16.185 1.00 55.31 C ATOM 999 O LYS A 60 4.721 26.995 -17.390 1.00 5.34 O ATOM 1000 CB LYS A 60 6.868 28.571 -15.560 1.00 60.52 C ATOM 1001 CG LYS A 60 7.335 29.925 -15.055 1.00 32.32 C ATOM 1002 CD LYS A 60 7.514 30.914 -16.194 1.00 73.23 C ATOM 1003 CE LYS A 60 6.583 32.108 -16.047 1.00 71.23 C ATOM 1004 NZ LYS A 60 6.475 32.886 -17.312 1.00 72.13 N ATOM 0 H LYS A 60 5.544 28.742 -13.488 1.00 2.22 H new ATOM 0 HA LYS A 60 4.893 29.205 -16.128 1.00 10.34 H new ATOM 0 HB2 LYS A 60 7.317 27.790 -14.947 1.00 60.52 H new ATOM 0 HB3 LYS A 60 7.232 28.427 -16.577 1.00 60.52 H new ATOM 0 HG2 LYS A 60 6.611 30.318 -14.342 1.00 32.32 H new ATOM 0 HG3 LYS A 60 8.278 29.809 -14.521 1.00 32.32 H new ATOM 0 HD2 LYS A 60 8.548 31.258 -16.219 1.00 73.23 H new ATOM 0 HD3 LYS A 60 7.321 30.415 -17.144 1.00 73.23 H new ATOM 0 HE2 LYS A 60 5.594 31.762 -15.748 1.00 71.23 H new ATOM 0 HE3 LYS A 60 6.948 32.757 -15.251 1.00 71.23 H new ATOM 0 HZ1 LYS A 60 5.832 33.691 -17.171 1.00 72.13 H new ATOM 0 HZ2 LYS A 60 7.415 33.238 -17.585 1.00 72.13 H new ATOM 0 HZ3 LYS A 60 6.103 32.274 -18.066 1.00 72.13 H new ATOM 1018 N HIS A 61 4.918 26.021 -15.370 1.00 54.23 N ATOM 1019 CA HIS A 61 4.564 24.692 -15.856 1.00 25.11 C ATOM 1020 C HIS A 61 3.239 24.230 -15.259 1.00 32.33 C ATOM 1021 O HIS A 61 3.039 23.041 -15.011 1.00 52.32 O ATOM 1022 CB HIS A 61 5.668 23.691 -15.513 1.00 62.22 C ATOM 1023 CG HIS A 61 6.948 23.933 -16.253 1.00 13.41 C ATOM 1024 ND1 HIS A 61 8.168 23.460 -15.820 1.00 45.42 N ATOM 1025 CD2 HIS A 61 7.192 24.602 -17.404 1.00 54.50 C ATOM 1026 CE1 HIS A 61 9.108 23.829 -16.672 1.00 43.51 C ATOM 1027 NE2 HIS A 61 8.542 24.523 -17.643 1.00 14.43 N ATOM 0 H HIS A 61 5.119 26.065 -14.371 1.00 54.23 H new ATOM 0 HA HIS A 61 4.455 24.745 -16.939 1.00 25.11 H new ATOM 0 HB2 HIS A 61 5.864 23.732 -14.442 1.00 62.22 H new ATOM 0 HB3 HIS A 61 5.315 22.684 -15.734 1.00 62.22 H new ATOM 0 HD2 HIS A 61 6.461 25.105 -18.020 1.00 54.50 H new ATOM 0 HE1 HIS A 61 10.161 23.602 -16.589 1.00 43.51 H new ATOM 0 HE2 HIS A 61 9.028 24.933 -18.440 1.00 14.43 H new ATOM 1035 N GLY A 62 2.336 25.178 -15.029 1.00 12.32 N ATOM 1036 CA GLY A 62 1.041 24.849 -14.462 1.00 24.54 C ATOM 1037 C GLY A 62 1.156 24.019 -13.198 1.00 3.41 C ATOM 1038 O GLY A 62 0.766 22.851 -13.175 1.00 14.51 O ATOM 0 H GLY A 62 2.478 26.169 -15.225 1.00 12.32 H new ATOM 0 HA2 GLY A 62 0.500 25.769 -14.241 1.00 24.54 H new ATOM 0 HA3 GLY A 62 0.453 24.303 -15.200 1.00 24.54 H new ATOM 1042 N LEU A 63 1.695 24.622 -12.144 1.00 2.11 N ATOM 1043 CA LEU A 63 1.862 23.931 -10.870 1.00 45.20 C ATOM 1044 C LEU A 63 0.982 24.555 -9.792 1.00 52.23 C ATOM 1045 O LEU A 63 0.599 23.893 -8.828 1.00 32.40 O ATOM 1046 CB LEU A 63 3.328 23.972 -10.434 1.00 21.11 C ATOM 1047 CG LEU A 63 3.669 23.207 -9.155 1.00 22.23 C ATOM 1048 CD1 LEU A 63 3.318 24.034 -7.928 1.00 52.20 C ATOM 1049 CD2 LEU A 63 2.944 21.869 -9.124 1.00 10.32 C ATOM 0 H LEU A 63 2.024 25.588 -12.146 1.00 2.11 H new ATOM 0 HA LEU A 63 1.558 22.893 -11.005 1.00 45.20 H new ATOM 0 HB2 LEU A 63 3.939 23.575 -11.245 1.00 21.11 H new ATOM 0 HB3 LEU A 63 3.617 25.014 -10.298 1.00 21.11 H new ATOM 0 HG LEU A 63 4.742 23.016 -9.144 1.00 22.23 H new ATOM 0 HD11 LEU A 63 3.568 23.473 -7.027 1.00 52.20 H new ATOM 0 HD12 LEU A 63 3.883 24.966 -7.943 1.00 52.20 H new ATOM 0 HD13 LEU A 63 2.251 24.257 -7.932 1.00 52.20 H new ATOM 0 HD21 LEU A 63 3.199 21.338 -8.207 1.00 10.32 H new ATOM 0 HD22 LEU A 63 1.868 22.037 -9.159 1.00 10.32 H new ATOM 0 HD23 LEU A 63 3.246 21.272 -9.984 1.00 10.32 H new ATOM 1061 N VAL A 64 0.662 25.834 -9.964 1.00 1.13 N ATOM 1062 CA VAL A 64 -0.176 26.547 -9.008 1.00 15.23 C ATOM 1063 C VAL A 64 -1.462 27.038 -9.664 1.00 11.34 C ATOM 1064 O VAL A 64 -1.429 27.853 -10.586 1.00 51.51 O ATOM 1065 CB VAL A 64 0.567 27.750 -8.397 1.00 30.13 C ATOM 1066 CG1 VAL A 64 1.676 27.277 -7.469 1.00 42.24 C ATOM 1067 CG2 VAL A 64 1.123 28.645 -9.494 1.00 1.24 C ATOM 0 H VAL A 64 0.971 26.397 -10.757 1.00 1.13 H new ATOM 0 HA VAL A 64 -0.422 25.841 -8.215 1.00 15.23 H new ATOM 0 HB VAL A 64 -0.142 28.333 -7.809 1.00 30.13 H new ATOM 0 HG11 VAL A 64 2.190 28.140 -7.047 1.00 42.24 H new ATOM 0 HG12 VAL A 64 1.247 26.680 -6.664 1.00 42.24 H new ATOM 0 HG13 VAL A 64 2.387 26.671 -8.031 1.00 42.24 H new ATOM 0 HG21 VAL A 64 1.645 29.490 -9.045 1.00 1.24 H new ATOM 0 HG22 VAL A 64 1.818 28.075 -10.111 1.00 1.24 H new ATOM 0 HG23 VAL A 64 0.305 29.012 -10.114 1.00 1.24 H new ATOM 1077 N HIS A 65 -2.595 26.537 -9.181 1.00 41.22 N ATOM 1078 CA HIS A 65 -3.893 26.926 -9.720 1.00 74.11 C ATOM 1079 C HIS A 65 -4.403 28.197 -9.047 1.00 22.34 C ATOM 1080 O HIS A 65 -5.526 28.635 -9.295 1.00 10.52 O ATOM 1081 CB HIS A 65 -4.906 25.795 -9.534 1.00 4.31 C ATOM 1082 CG HIS A 65 -5.914 25.706 -10.638 1.00 63.00 C ATOM 1083 ND1 HIS A 65 -6.690 24.588 -10.860 1.00 2.01 N ATOM 1084 CD2 HIS A 65 -6.272 26.605 -11.585 1.00 22.34 C ATOM 1085 CE1 HIS A 65 -7.480 24.802 -11.896 1.00 55.33 C ATOM 1086 NE2 HIS A 65 -7.247 26.019 -12.354 1.00 41.10 N ATOM 0 H HIS A 65 -2.640 25.861 -8.418 1.00 41.22 H new ATOM 0 HA HIS A 65 -3.771 27.124 -10.785 1.00 74.11 H new ATOM 0 HB2 HIS A 65 -4.372 24.848 -9.464 1.00 4.31 H new ATOM 0 HB3 HIS A 65 -5.428 25.938 -8.588 1.00 4.31 H new ATOM 0 HD2 HIS A 65 -5.866 27.598 -11.712 1.00 22.34 H new ATOM 0 HE1 HIS A 65 -8.195 24.101 -12.300 1.00 55.33 H new ATOM 0 HE2 HIS A 65 -7.715 26.453 -13.150 1.00 41.10 H new ATOM 1094 N PHE A 66 -3.570 28.783 -8.193 1.00 62.20 N ATOM 1095 CA PHE A 66 -3.937 30.002 -7.482 1.00 45.23 C ATOM 1096 C PHE A 66 -4.256 31.127 -8.462 1.00 55.50 C ATOM 1097 O PHE A 66 -3.873 31.074 -9.630 1.00 51.40 O ATOM 1098 CB PHE A 66 -2.805 30.432 -6.546 1.00 51.12 C ATOM 1099 CG PHE A 66 -1.738 31.240 -7.227 1.00 51.53 C ATOM 1100 CD1 PHE A 66 -1.150 30.789 -8.398 1.00 1.40 C ATOM 1101 CD2 PHE A 66 -1.324 32.452 -6.697 1.00 63.33 C ATOM 1102 CE1 PHE A 66 -0.167 31.531 -9.026 1.00 53.01 C ATOM 1103 CE2 PHE A 66 -0.342 33.198 -7.321 1.00 42.03 C ATOM 1104 CZ PHE A 66 0.236 32.737 -8.488 1.00 4.41 C ATOM 0 H PHE A 66 -2.637 28.433 -7.977 1.00 62.20 H new ATOM 0 HA PHE A 66 -4.829 29.794 -6.891 1.00 45.23 H new ATOM 0 HB2 PHE A 66 -3.224 31.016 -5.726 1.00 51.12 H new ATOM 0 HB3 PHE A 66 -2.352 29.544 -6.106 1.00 51.12 H new ATOM 0 HD1 PHE A 66 -1.463 29.848 -8.825 1.00 1.40 H new ATOM 0 HD2 PHE A 66 -1.774 32.818 -5.786 1.00 63.33 H new ATOM 0 HE1 PHE A 66 0.285 31.168 -9.937 1.00 53.01 H new ATOM 0 HE2 PHE A 66 -0.027 34.140 -6.897 1.00 42.03 H new ATOM 0 HZ PHE A 66 1.002 33.319 -8.979 1.00 4.41 H new ATOM 1114 N GLU A 67 -4.962 32.144 -7.976 1.00 50.14 N ATOM 1115 CA GLU A 67 -5.335 33.281 -8.810 1.00 2.34 C ATOM 1116 C GLU A 67 -4.099 34.056 -9.257 1.00 2.41 C ATOM 1117 O GLU A 67 -2.968 33.638 -9.012 1.00 70.02 O ATOM 1118 CB GLU A 67 -6.285 34.209 -8.049 1.00 43.33 C ATOM 1119 CG GLU A 67 -5.701 34.750 -6.755 1.00 31.44 C ATOM 1120 CD GLU A 67 -6.260 36.110 -6.386 1.00 1.11 C ATOM 1121 OE1 GLU A 67 -7.490 36.216 -6.199 1.00 40.34 O ATOM 1122 OE2 GLU A 67 -5.466 37.069 -6.284 1.00 31.13 O ATOM 0 H GLU A 67 -5.286 32.204 -7.011 1.00 50.14 H new ATOM 0 HA GLU A 67 -5.843 32.899 -9.696 1.00 2.34 H new ATOM 0 HB2 GLU A 67 -6.556 35.046 -8.693 1.00 43.33 H new ATOM 0 HB3 GLU A 67 -7.205 33.669 -7.825 1.00 43.33 H new ATOM 0 HG2 GLU A 67 -5.904 34.047 -5.947 1.00 31.44 H new ATOM 0 HG3 GLU A 67 -4.618 34.821 -6.851 1.00 31.44 H new ATOM 1129 N GLY A 68 -4.324 35.190 -9.915 1.00 61.41 N ATOM 1130 CA GLY A 68 -3.220 36.005 -10.387 1.00 53.21 C ATOM 1131 C GLY A 68 -3.099 37.312 -9.629 1.00 31.15 C ATOM 1132 O GLY A 68 -3.741 37.499 -8.596 1.00 35.42 O ATOM 0 H GLY A 68 -5.251 35.558 -10.129 1.00 61.41 H new ATOM 0 HA2 GLY A 68 -2.290 35.444 -10.289 1.00 53.21 H new ATOM 0 HA3 GLY A 68 -3.355 36.215 -11.448 1.00 53.21 H new ATOM 1136 N GLU A 69 -2.272 38.218 -10.141 1.00 61.41 N ATOM 1137 CA GLU A 69 -2.067 39.512 -9.503 1.00 14.54 C ATOM 1138 C GLU A 69 -1.481 39.343 -8.104 1.00 61.20 C ATOM 1139 O GLU A 69 -1.717 40.162 -7.217 1.00 13.40 O ATOM 1140 CB GLU A 69 -3.388 40.281 -9.424 1.00 1.51 C ATOM 1141 CG GLU A 69 -4.094 40.417 -10.763 1.00 1.15 C ATOM 1142 CD GLU A 69 -5.482 41.014 -10.632 1.00 62.12 C ATOM 1143 OE1 GLU A 69 -5.676 41.875 -9.749 1.00 1.31 O ATOM 1144 OE2 GLU A 69 -6.373 40.620 -11.413 1.00 14.04 O ATOM 0 H GLU A 69 -1.733 38.079 -10.996 1.00 61.41 H new ATOM 0 HA GLU A 69 -1.360 40.079 -10.109 1.00 14.54 H new ATOM 0 HB2 GLU A 69 -4.052 39.775 -8.723 1.00 1.51 H new ATOM 0 HB3 GLU A 69 -3.196 41.276 -9.021 1.00 1.51 H new ATOM 0 HG2 GLU A 69 -3.494 41.043 -11.424 1.00 1.15 H new ATOM 0 HG3 GLU A 69 -4.167 39.436 -11.232 1.00 1.15 H new ATOM 1151 N MET A 70 -0.716 38.273 -7.916 1.00 24.24 N ATOM 1152 CA MET A 70 -0.095 37.995 -6.626 1.00 4.45 C ATOM 1153 C MET A 70 -1.151 37.830 -5.538 1.00 13.01 C ATOM 1154 O MET A 70 -2.351 37.886 -5.810 1.00 53.13 O ATOM 1155 CB MET A 70 0.871 39.120 -6.248 1.00 10.41 C ATOM 1156 CG MET A 70 1.548 39.768 -7.445 1.00 72.21 C ATOM 1157 SD MET A 70 2.888 40.876 -6.970 1.00 1.42 S ATOM 1158 CE MET A 70 3.077 41.841 -8.467 1.00 72.12 C ATOM 0 H MET A 70 -0.511 37.584 -8.640 1.00 24.24 H new ATOM 0 HA MET A 70 0.461 37.061 -6.713 1.00 4.45 H new ATOM 0 HB2 MET A 70 0.327 39.883 -5.692 1.00 10.41 H new ATOM 0 HB3 MET A 70 1.635 38.722 -5.580 1.00 10.41 H new ATOM 0 HG2 MET A 70 1.940 38.990 -8.101 1.00 72.21 H new ATOM 0 HG3 MET A 70 0.807 40.325 -8.019 1.00 72.21 H new ATOM 0 HE1 MET A 70 3.872 42.574 -8.330 1.00 72.12 H new ATOM 0 HE2 MET A 70 3.331 41.180 -9.296 1.00 72.12 H new ATOM 0 HE3 MET A 70 2.143 42.357 -8.688 1.00 72.12 H new ATOM 1168 N LEU A 71 -0.699 37.626 -4.306 1.00 24.22 N ATOM 1169 CA LEU A 71 -1.606 37.452 -3.177 1.00 24.25 C ATOM 1170 C LEU A 71 -1.199 38.345 -2.009 1.00 52.41 C ATOM 1171 O LEU A 71 -0.072 38.269 -1.519 1.00 75.11 O ATOM 1172 CB LEU A 71 -1.623 35.988 -2.732 1.00 3.44 C ATOM 1173 CG LEU A 71 -1.920 34.959 -3.822 1.00 72.32 C ATOM 1174 CD1 LEU A 71 -2.073 33.571 -3.219 1.00 0.12 C ATOM 1175 CD2 LEU A 71 -3.172 35.347 -4.595 1.00 52.01 C ATOM 0 H LEU A 71 0.290 37.577 -4.063 1.00 24.22 H new ATOM 0 HA LEU A 71 -2.607 37.739 -3.499 1.00 24.25 H new ATOM 0 HB2 LEU A 71 -0.654 35.752 -2.292 1.00 3.44 H new ATOM 0 HB3 LEU A 71 -2.367 35.877 -1.943 1.00 3.44 H new ATOM 0 HG LEU A 71 -1.080 34.941 -4.516 1.00 72.32 H new ATOM 0 HD11 LEU A 71 -2.284 32.852 -4.010 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -1.150 33.291 -2.711 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -2.895 33.574 -2.503 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -3.368 34.603 -5.367 1.00 52.01 H new ATOM 0 HD22 LEU A 71 -4.021 35.394 -3.913 1.00 52.01 H new ATOM 0 HD23 LEU A 71 -3.025 36.322 -5.060 1.00 52.01 H new ATOM 1187 N TRP A 72 -2.124 39.190 -1.568 1.00 32.24 N ATOM 1188 CA TRP A 72 -1.863 40.097 -0.456 1.00 24.34 C ATOM 1189 C TRP A 72 -2.213 39.441 0.876 1.00 51.14 C ATOM 1190 O TRP A 72 -3.331 38.963 1.066 1.00 51.31 O ATOM 1191 CB TRP A 72 -2.661 41.390 -0.627 1.00 3.21 C ATOM 1192 CG TRP A 72 -2.496 42.015 -1.979 1.00 42.31 C ATOM 1193 CD1 TRP A 72 -3.491 42.427 -2.819 1.00 31.13 C ATOM 1194 CD2 TRP A 72 -1.262 42.298 -2.648 1.00 23.41 C ATOM 1195 NE1 TRP A 72 -2.950 42.948 -3.969 1.00 51.13 N ATOM 1196 CE2 TRP A 72 -1.584 42.881 -3.889 1.00 14.02 C ATOM 1197 CE3 TRP A 72 0.084 42.116 -2.319 1.00 2.34 C ATOM 1198 CZ2 TRP A 72 -0.609 43.282 -4.798 1.00 75.14 C ATOM 1199 CZ3 TRP A 72 1.051 42.514 -3.223 1.00 15.43 C ATOM 1200 CH2 TRP A 72 0.700 43.092 -4.450 1.00 42.41 C ATOM 0 H TRP A 72 -3.061 39.266 -1.963 1.00 32.24 H new ATOM 0 HA TRP A 72 -0.799 40.333 -0.455 1.00 24.34 H new ATOM 0 HB2 TRP A 72 -3.717 41.182 -0.457 1.00 3.21 H new ATOM 0 HB3 TRP A 72 -2.350 42.104 0.136 1.00 3.21 H new ATOM 0 HD1 TRP A 72 -4.548 42.354 -2.610 1.00 31.13 H new ATOM 0 HE1 TRP A 72 -3.480 43.324 -4.755 1.00 51.13 H new ATOM 0 HE3 TRP A 72 0.364 41.672 -1.375 1.00 2.34 H new ATOM 0 HZ2 TRP A 72 -0.877 43.727 -5.745 1.00 75.14 H new ATOM 0 HZ3 TRP A 72 2.094 42.377 -2.979 1.00 15.43 H new ATOM 0 HH2 TRP A 72 1.479 43.394 -5.135 1.00 42.41 H new ATOM 1211 N GLN A 73 -1.251 39.422 1.793 1.00 52.44 N ATOM 1212 CA GLN A 73 -1.460 38.824 3.106 1.00 51.31 C ATOM 1213 C GLN A 73 -2.615 39.502 3.835 1.00 34.02 C ATOM 1214 O GLN A 73 -2.591 40.709 4.072 1.00 42.04 O ATOM 1215 CB GLN A 73 -0.184 38.924 3.944 1.00 71.33 C ATOM 1216 CG GLN A 73 0.045 37.723 4.848 1.00 40.41 C ATOM 1217 CD GLN A 73 0.346 38.120 6.280 1.00 44.44 C ATOM 1218 OE1 GLN A 73 1.092 39.068 6.529 1.00 11.15 O ATOM 1219 NE2 GLN A 73 -0.233 37.396 7.230 1.00 72.03 N ATOM 0 H GLN A 73 -0.320 39.814 1.651 1.00 52.44 H new ATOM 0 HA GLN A 73 -1.711 37.773 2.963 1.00 51.31 H new ATOM 0 HB2 GLN A 73 0.671 39.035 3.277 1.00 71.33 H new ATOM 0 HB3 GLN A 73 -0.230 39.825 4.555 1.00 71.33 H new ATOM 0 HG2 GLN A 73 -0.839 37.085 4.830 1.00 40.41 H new ATOM 0 HG3 GLN A 73 0.873 37.131 4.457 1.00 40.41 H new ATOM 0 HE21 GLN A 73 -0.844 36.619 6.978 1.00 72.03 H new ATOM 0 HE22 GLN A 73 -0.067 37.617 8.212 1.00 72.03 H new ATOM 1228 N GLY A 74 -3.628 38.716 4.189 1.00 1.13 N ATOM 1229 CA GLY A 74 -4.779 39.258 4.888 1.00 43.34 C ATOM 1230 C GLY A 74 -5.978 39.436 3.978 1.00 72.30 C ATOM 1231 O GLY A 74 -7.098 39.639 4.447 1.00 74.30 O ATOM 0 H GLY A 74 -3.672 37.714 4.004 1.00 1.13 H new ATOM 0 HA2 GLY A 74 -5.046 38.595 5.711 1.00 43.34 H new ATOM 0 HA3 GLY A 74 -4.514 40.220 5.327 1.00 43.34 H new ATOM 1235 N LYS A 75 -5.745 39.361 2.672 1.00 24.01 N ATOM 1236 CA LYS A 75 -6.814 39.515 1.693 1.00 50.10 C ATOM 1237 C LYS A 75 -6.916 38.282 0.800 1.00 13.45 C ATOM 1238 O LYS A 75 -7.991 37.701 0.650 1.00 21.30 O ATOM 1239 CB LYS A 75 -6.573 40.760 0.836 1.00 72.21 C ATOM 1240 CG LYS A 75 -6.425 42.036 1.645 1.00 14.55 C ATOM 1241 CD LYS A 75 -7.719 42.400 2.355 1.00 30.31 C ATOM 1242 CE LYS A 75 -7.727 43.858 2.787 1.00 31.15 C ATOM 1243 NZ LYS A 75 -9.025 44.246 3.407 1.00 64.41 N ATOM 0 H LYS A 75 -4.824 39.194 2.267 1.00 24.01 H new ATOM 0 HA LYS A 75 -7.754 39.629 2.233 1.00 50.10 H new ATOM 0 HB2 LYS A 75 -5.673 40.611 0.240 1.00 72.21 H new ATOM 0 HB3 LYS A 75 -7.402 40.876 0.138 1.00 72.21 H new ATOM 0 HG2 LYS A 75 -5.629 41.912 2.379 1.00 14.55 H new ATOM 0 HG3 LYS A 75 -6.128 42.853 0.987 1.00 14.55 H new ATOM 0 HD2 LYS A 75 -8.564 42.211 1.693 1.00 30.31 H new ATOM 0 HD3 LYS A 75 -7.849 41.760 3.228 1.00 30.31 H new ATOM 0 HE2 LYS A 75 -6.919 44.031 3.498 1.00 31.15 H new ATOM 0 HE3 LYS A 75 -7.533 44.494 1.923 1.00 31.15 H new ATOM 0 HZ1 LYS A 75 -8.990 45.247 3.688 1.00 64.41 H new ATOM 0 HZ2 LYS A 75 -9.793 44.106 2.720 1.00 64.41 H new ATOM 0 HZ3 LYS A 75 -9.199 43.657 4.246 1.00 64.41 H new ATOM 1257 N ASP A 76 -5.792 37.889 0.212 1.00 32.22 N ATOM 1258 CA ASP A 76 -5.755 36.723 -0.663 1.00 40.25 C ATOM 1259 C ASP A 76 -5.393 35.466 0.121 1.00 64.24 C ATOM 1260 O ASP A 76 -5.055 34.435 -0.462 1.00 33.23 O ATOM 1261 CB ASP A 76 -4.750 36.941 -1.795 1.00 64.14 C ATOM 1262 CG ASP A 76 -5.368 37.634 -2.994 1.00 1.04 C ATOM 1263 OD1 ASP A 76 -6.418 37.160 -3.476 1.00 3.30 O ATOM 1264 OD2 ASP A 76 -4.802 38.650 -3.450 1.00 24.35 O ATOM 0 H ASP A 76 -4.895 38.360 0.325 1.00 32.22 H new ATOM 0 HA ASP A 76 -6.749 36.588 -1.090 1.00 40.25 H new ATOM 0 HB2 ASP A 76 -3.915 37.536 -1.426 1.00 64.14 H new ATOM 0 HB3 ASP A 76 -4.343 35.979 -2.105 1.00 64.14 H new ATOM 1269 N ASP A 77 -5.464 35.559 1.444 1.00 44.12 N ATOM 1270 CA ASP A 77 -5.143 34.429 2.308 1.00 0.22 C ATOM 1271 C ASP A 77 -6.084 33.258 2.043 1.00 0.12 C ATOM 1272 O ASP A 77 -5.731 32.100 2.270 1.00 4.41 O ATOM 1273 CB ASP A 77 -5.227 34.844 3.778 1.00 45.21 C ATOM 1274 CG ASP A 77 -6.590 35.394 4.148 1.00 51.24 C ATOM 1275 OD1 ASP A 77 -7.484 34.588 4.480 1.00 52.53 O ATOM 1276 OD2 ASP A 77 -6.763 36.630 4.104 1.00 54.41 O ATOM 0 H ASP A 77 -5.741 36.405 1.942 1.00 44.12 H new ATOM 0 HA ASP A 77 -4.124 34.111 2.086 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -5.002 33.984 4.409 1.00 45.21 H new ATOM 0 HB3 ASP A 77 -4.467 35.597 3.984 1.00 45.21 H new ATOM 1281 N HIS A 78 -7.284 33.567 1.563 1.00 73.14 N ATOM 1282 CA HIS A 78 -8.277 32.540 1.267 1.00 21.12 C ATOM 1283 C HIS A 78 -7.878 31.738 0.032 1.00 23.22 C ATOM 1284 O HIS A 78 -8.368 30.630 -0.186 1.00 64.31 O ATOM 1285 CB HIS A 78 -9.651 33.175 1.055 1.00 53.23 C ATOM 1286 CG HIS A 78 -9.735 34.025 -0.176 1.00 63.40 C ATOM 1287 ND1 HIS A 78 -9.666 35.401 -0.146 1.00 40.53 N ATOM 1288 CD2 HIS A 78 -9.880 33.685 -1.478 1.00 74.31 C ATOM 1289 CE1 HIS A 78 -9.768 35.872 -1.377 1.00 25.14 C ATOM 1290 NE2 HIS A 78 -9.898 34.850 -2.204 1.00 11.43 N ATOM 0 H HIS A 78 -7.593 34.520 1.371 1.00 73.14 H new ATOM 0 HA HIS A 78 -8.326 31.862 2.119 1.00 21.12 H new ATOM 0 HB2 HIS A 78 -10.401 32.386 0.994 1.00 53.23 H new ATOM 0 HB3 HIS A 78 -9.899 33.784 1.925 1.00 53.23 H new ATOM 0 HD1 HIS A 78 -9.554 35.968 0.695 1.00 40.53 H new ATOM 0 HD2 HIS A 78 -9.966 32.683 -1.873 1.00 74.31 H new ATOM 0 HE1 HIS A 78 -9.748 36.914 -1.659 1.00 25.14 H new ATOM 1298 N VAL A 79 -6.986 32.306 -0.773 1.00 63.45 N ATOM 1299 CA VAL A 79 -6.521 31.644 -1.986 1.00 65.53 C ATOM 1300 C VAL A 79 -5.947 30.266 -1.675 1.00 21.21 C ATOM 1301 O VAL A 79 -4.931 30.145 -0.991 1.00 23.43 O ATOM 1302 CB VAL A 79 -5.449 32.482 -2.708 1.00 52.40 C ATOM 1303 CG1 VAL A 79 -4.913 31.736 -3.920 1.00 73.02 C ATOM 1304 CG2 VAL A 79 -6.015 33.835 -3.112 1.00 53.31 C ATOM 0 H VAL A 79 -6.571 33.223 -0.607 1.00 63.45 H new ATOM 0 HA VAL A 79 -7.388 31.535 -2.638 1.00 65.53 H new ATOM 0 HB VAL A 79 -4.620 32.650 -2.020 1.00 52.40 H new ATOM 0 HG11 VAL A 79 -4.157 32.344 -4.417 1.00 73.02 H new ATOM 0 HG12 VAL A 79 -4.468 30.794 -3.600 1.00 73.02 H new ATOM 0 HG13 VAL A 79 -5.729 31.534 -4.613 1.00 73.02 H new ATOM 0 HG21 VAL A 79 -5.245 34.414 -3.621 1.00 53.31 H new ATOM 0 HG22 VAL A 79 -6.862 33.690 -3.783 1.00 53.31 H new ATOM 0 HG23 VAL A 79 -6.345 34.372 -2.222 1.00 53.31 H new ATOM 1314 N VAL A 80 -6.605 29.228 -2.182 1.00 40.23 N ATOM 1315 CA VAL A 80 -6.160 27.858 -1.960 1.00 61.30 C ATOM 1316 C VAL A 80 -5.185 27.414 -3.045 1.00 33.41 C ATOM 1317 O VAL A 80 -5.505 27.450 -4.233 1.00 52.35 O ATOM 1318 CB VAL A 80 -7.350 26.880 -1.923 1.00 3.33 C ATOM 1319 CG1 VAL A 80 -6.858 25.443 -1.848 1.00 61.23 C ATOM 1320 CG2 VAL A 80 -8.265 27.201 -0.751 1.00 32.42 C ATOM 0 H VAL A 80 -7.449 29.310 -2.750 1.00 40.23 H new ATOM 0 HA VAL A 80 -5.656 27.842 -0.994 1.00 61.30 H new ATOM 0 HB VAL A 80 -7.922 26.995 -2.844 1.00 3.33 H new ATOM 0 HG11 VAL A 80 -7.712 24.767 -1.823 1.00 61.23 H new ATOM 0 HG12 VAL A 80 -6.246 25.222 -2.722 1.00 61.23 H new ATOM 0 HG13 VAL A 80 -6.262 25.309 -0.945 1.00 61.23 H new ATOM 0 HG21 VAL A 80 -9.100 26.501 -0.739 1.00 32.42 H new ATOM 0 HG22 VAL A 80 -7.706 27.115 0.181 1.00 32.42 H new ATOM 0 HG23 VAL A 80 -8.645 28.218 -0.854 1.00 32.42 H new ATOM 1330 N ILE A 81 -3.996 26.994 -2.628 1.00 24.00 N ATOM 1331 CA ILE A 81 -2.975 26.541 -3.564 1.00 65.04 C ATOM 1332 C ILE A 81 -2.920 25.018 -3.624 1.00 53.24 C ATOM 1333 O ILE A 81 -2.486 24.363 -2.677 1.00 25.04 O ATOM 1334 CB ILE A 81 -1.583 27.078 -3.183 1.00 4.40 C ATOM 1335 CG1 ILE A 81 -1.580 28.608 -3.199 1.00 54.44 C ATOM 1336 CG2 ILE A 81 -0.526 26.532 -4.131 1.00 23.40 C ATOM 1337 CD1 ILE A 81 -1.990 29.227 -1.881 1.00 41.33 C ATOM 0 H ILE A 81 -3.716 26.958 -1.648 1.00 24.00 H new ATOM 0 HA ILE A 81 -3.251 26.932 -4.544 1.00 65.04 H new ATOM 0 HB ILE A 81 -1.346 26.743 -2.173 1.00 4.40 H new ATOM 0 HG12 ILE A 81 -0.582 28.959 -3.461 1.00 54.44 H new ATOM 0 HG13 ILE A 81 -2.255 28.956 -3.980 1.00 54.44 H new ATOM 0 HG21 ILE A 81 0.452 26.921 -3.848 1.00 23.40 H new ATOM 0 HG22 ILE A 81 -0.514 25.444 -4.074 1.00 23.40 H new ATOM 0 HG23 ILE A 81 -0.758 26.840 -5.151 1.00 23.40 H new ATOM 0 HD11 ILE A 81 -1.965 30.313 -1.966 1.00 41.33 H new ATOM 0 HD12 ILE A 81 -3.000 28.906 -1.627 1.00 41.33 H new ATOM 0 HD13 ILE A 81 -1.301 28.908 -1.099 1.00 41.33 H new ATOM 1349 N THR A 82 -3.363 24.459 -4.746 1.00 54.34 N ATOM 1350 CA THR A 82 -3.365 23.014 -4.931 1.00 71.33 C ATOM 1351 C THR A 82 -2.225 22.575 -5.843 1.00 23.33 C ATOM 1352 O THR A 82 -2.225 22.867 -7.039 1.00 42.23 O ATOM 1353 CB THR A 82 -4.699 22.525 -5.526 1.00 34.14 C ATOM 1354 OG1 THR A 82 -4.582 21.158 -5.935 1.00 63.20 O ATOM 1355 CG2 THR A 82 -5.109 23.382 -6.714 1.00 22.11 C ATOM 0 H THR A 82 -3.725 24.986 -5.541 1.00 54.34 H new ATOM 0 HA THR A 82 -3.231 22.570 -3.945 1.00 71.33 H new ATOM 0 HB THR A 82 -5.466 22.609 -4.756 1.00 34.14 H new ATOM 0 HG1 THR A 82 -5.435 20.855 -6.311 1.00 63.20 H new ATOM 0 HG21 THR A 82 -6.054 23.017 -7.117 1.00 22.11 H new ATOM 0 HG22 THR A 82 -5.227 24.417 -6.393 1.00 22.11 H new ATOM 0 HG23 THR A 82 -4.340 23.327 -7.485 1.00 22.11 H new ATOM 1363 N LEU A 83 -1.254 21.871 -5.271 1.00 31.13 N ATOM 1364 CA LEU A 83 -0.107 21.390 -6.033 1.00 3.14 C ATOM 1365 C LEU A 83 -0.557 20.687 -7.309 1.00 44.24 C ATOM 1366 O LEU A 83 -1.054 19.561 -7.269 1.00 24.13 O ATOM 1367 CB LEU A 83 0.733 20.437 -5.181 1.00 32.53 C ATOM 1368 CG LEU A 83 2.250 20.582 -5.308 1.00 33.41 C ATOM 1369 CD1 LEU A 83 2.685 21.988 -4.929 1.00 1.54 C ATOM 1370 CD2 LEU A 83 2.959 19.550 -4.442 1.00 54.31 C ATOM 0 H LEU A 83 -1.238 21.621 -4.282 1.00 31.13 H new ATOM 0 HA LEU A 83 0.501 22.251 -6.310 1.00 3.14 H new ATOM 0 HB2 LEU A 83 0.461 20.581 -4.135 1.00 32.53 H new ATOM 0 HB3 LEU A 83 0.463 19.414 -5.443 1.00 32.53 H new ATOM 0 HG LEU A 83 2.527 20.406 -6.347 1.00 33.41 H new ATOM 0 HD11 LEU A 83 3.767 22.072 -5.025 1.00 1.54 H new ATOM 0 HD12 LEU A 83 2.204 22.708 -5.591 1.00 1.54 H new ATOM 0 HD13 LEU A 83 2.395 22.193 -3.898 1.00 1.54 H new ATOM 0 HD21 LEU A 83 4.038 19.668 -4.545 1.00 54.31 H new ATOM 0 HD22 LEU A 83 2.676 19.694 -3.399 1.00 54.31 H new ATOM 0 HD23 LEU A 83 2.672 18.548 -4.761 1.00 54.31 H new ATOM 1382 N LEU A 84 -0.378 21.358 -8.442 1.00 65.31 N ATOM 1383 CA LEU A 84 -0.763 20.797 -9.732 1.00 61.34 C ATOM 1384 C LEU A 84 0.414 20.084 -10.390 1.00 25.33 C ATOM 1385 O LEU A 84 1.129 20.667 -11.204 1.00 52.12 O ATOM 1386 CB LEU A 84 -1.285 21.900 -10.655 1.00 34.43 C ATOM 1387 CG LEU A 84 -2.597 22.563 -10.232 1.00 23.21 C ATOM 1388 CD1 LEU A 84 -3.063 23.548 -11.293 1.00 31.42 C ATOM 1389 CD2 LEU A 84 -3.666 21.512 -9.970 1.00 63.02 C ATOM 0 H LEU A 84 0.031 22.291 -8.493 1.00 65.31 H new ATOM 0 HA LEU A 84 -1.556 20.069 -9.561 1.00 61.34 H new ATOM 0 HB2 LEU A 84 -0.520 22.672 -10.734 1.00 34.43 H new ATOM 0 HB3 LEU A 84 -1.418 21.479 -11.652 1.00 34.43 H new ATOM 0 HG LEU A 84 -2.423 23.113 -9.307 1.00 23.21 H new ATOM 0 HD11 LEU A 84 -3.998 24.010 -10.975 1.00 31.42 H new ATOM 0 HD12 LEU A 84 -2.305 24.319 -11.431 1.00 31.42 H new ATOM 0 HD13 LEU A 84 -3.220 23.021 -12.234 1.00 31.42 H new ATOM 0 HD21 LEU A 84 -4.592 22.002 -9.670 1.00 63.02 H new ATOM 0 HD22 LEU A 84 -3.839 20.934 -10.878 1.00 63.02 H new ATOM 0 HD23 LEU A 84 -3.334 20.846 -9.174 1.00 63.02 H new ATOM 1401 N GLU A 85 0.609 18.818 -10.031 1.00 54.42 N ATOM 1402 CA GLU A 85 1.699 18.026 -10.588 1.00 13.01 C ATOM 1403 C GLU A 85 1.167 16.759 -11.252 1.00 13.30 C ATOM 1404 O GLU A 85 0.095 16.266 -10.901 1.00 42.43 O ATOM 1405 CB GLU A 85 2.702 17.658 -9.493 1.00 2.01 C ATOM 1406 CG GLU A 85 3.704 18.760 -9.190 1.00 72.30 C ATOM 1407 CD GLU A 85 5.075 18.220 -8.834 1.00 22.44 C ATOM 1408 OE1 GLU A 85 5.834 17.868 -9.761 1.00 21.44 O ATOM 1409 OE2 GLU A 85 5.389 18.149 -7.627 1.00 1.22 O ATOM 0 H GLU A 85 0.027 18.320 -9.358 1.00 54.42 H new ATOM 0 HA GLU A 85 2.202 18.628 -11.345 1.00 13.01 H new ATOM 0 HB2 GLU A 85 2.158 17.413 -8.581 1.00 2.01 H new ATOM 0 HB3 GLU A 85 3.242 16.760 -9.793 1.00 2.01 H new ATOM 0 HG2 GLU A 85 3.790 19.416 -10.056 1.00 72.30 H new ATOM 0 HG3 GLU A 85 3.332 19.368 -8.365 1.00 72.30 H new TER 1416 GLU A 85