USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 484 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 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -14:sc= 0.35 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.024) USER MOD Single : A 22 ASN : amide:sc= 0.036 X(o=0.036,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot -15:sc= 0.436 USER MOD Single : B 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.022) USER MOD Single : B 22 ASN : amide:sc= 0.0505 X(o=0.051,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 14.219 3.268 3.772 1.00 0.00 N ATOM 38 CA TYR A 4 15.563 2.625 3.757 1.00 0.00 C ATOM 39 C TYR A 4 16.635 3.650 3.379 1.00 0.00 C ATOM 40 O TYR A 4 16.370 4.832 3.284 1.00 0.00 O ATOM 41 CB TYR A 4 15.469 1.529 2.694 1.00 0.00 C ATOM 42 CG TYR A 4 14.820 2.088 1.451 1.00 0.00 C ATOM 43 CD1 TYR A 4 13.435 2.284 1.412 1.00 0.00 C ATOM 44 CD2 TYR A 4 15.604 2.409 0.336 1.00 0.00 C ATOM 45 CE1 TYR A 4 12.833 2.802 0.259 1.00 0.00 C ATOM 46 CE2 TYR A 4 15.003 2.927 -0.817 1.00 0.00 C ATOM 47 CZ TYR A 4 13.617 3.124 -0.855 1.00 0.00 C ATOM 48 OH TYR A 4 13.024 3.635 -1.992 1.00 0.00 O ATOM 0 HA TYR A 4 15.838 2.222 4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 4 16.463 1.149 2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 4 14.888 0.688 3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.830 2.036 2.272 1.00 0.00 H new ATOM 0 HD2 TYR A 4 16.673 2.257 0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.764 2.953 0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 4 15.608 3.175 -1.677 1.00 0.00 H new ATOM 0 HH TYR A 4 13.710 3.805 -2.671 1.00 0.00 H new ATOM 58 N PHE A 5 17.843 3.208 3.163 1.00 0.00 N ATOM 59 CA PHE A 5 18.929 4.160 2.791 1.00 0.00 C ATOM 60 C PHE A 5 19.488 3.811 1.409 1.00 0.00 C ATOM 61 O PHE A 5 19.064 2.862 0.779 1.00 0.00 O ATOM 62 CB PHE A 5 20.001 3.976 3.865 1.00 0.00 C ATOM 63 CG PHE A 5 19.390 4.193 5.228 1.00 0.00 C ATOM 64 CD1 PHE A 5 18.787 5.418 5.538 1.00 0.00 C ATOM 65 CD2 PHE A 5 19.426 3.169 6.182 1.00 0.00 C ATOM 66 CE1 PHE A 5 18.220 5.619 6.802 1.00 0.00 C ATOM 67 CE2 PHE A 5 18.859 3.370 7.446 1.00 0.00 C ATOM 68 CZ PHE A 5 18.256 4.594 7.756 1.00 0.00 C ATOM 0 H PHE A 5 18.126 2.230 3.228 1.00 0.00 H new ATOM 0 HA PHE A 5 18.576 5.190 2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 5 20.427 2.975 3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 5 20.817 4.681 3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 5 18.759 6.208 4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 5 19.891 2.224 5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 5 17.755 6.564 7.042 1.00 0.00 H new ATOM 0 HE2 PHE A 5 18.887 2.580 8.182 1.00 0.00 H new ATOM 0 HZ PHE A 5 17.818 4.748 8.731 1.00 0.00 H new ATOM 78 N THR A 6 20.435 4.571 0.932 1.00 0.00 N ATOM 79 CA THR A 6 21.018 4.281 -0.409 1.00 0.00 C ATOM 80 C THR A 6 22.415 4.895 -0.523 1.00 0.00 C ATOM 81 O THR A 6 22.744 5.846 0.159 1.00 0.00 O ATOM 82 CB THR A 6 20.060 4.935 -1.407 1.00 0.00 C ATOM 83 OG1 THR A 6 18.776 4.339 -1.287 1.00 0.00 O ATOM 84 CG2 THR A 6 20.588 4.735 -2.828 1.00 0.00 C ATOM 0 H THR A 6 20.830 5.380 1.412 1.00 0.00 H new ATOM 0 HA THR A 6 21.127 3.212 -0.590 1.00 0.00 H new ATOM 0 HB THR A 6 19.986 6.002 -1.197 1.00 0.00 H new ATOM 0 HG1 THR A 6 18.847 3.510 -0.770 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.905 5.201 -3.539 1.00 0.00 H new ATOM 0 HG22 THR A 6 21.573 5.192 -2.918 1.00 0.00 H new ATOM 0 HG23 THR A 6 20.662 3.669 -3.042 1.00 0.00 H new ATOM 92 N LEU A 7 23.240 4.359 -1.381 1.00 0.00 N ATOM 93 CA LEU A 7 24.616 4.912 -1.537 1.00 0.00 C ATOM 94 C LEU A 7 24.990 4.992 -3.020 1.00 0.00 C ATOM 95 O LEU A 7 24.370 4.372 -3.861 1.00 0.00 O ATOM 96 CB LEU A 7 25.526 3.922 -0.810 1.00 0.00 C ATOM 97 CG LEU A 7 26.563 4.689 0.011 1.00 0.00 C ATOM 98 CD1 LEU A 7 25.942 5.124 1.340 1.00 0.00 C ATOM 99 CD2 LEU A 7 27.766 3.783 0.284 1.00 0.00 C ATOM 0 H LEU A 7 23.021 3.563 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 7 24.703 5.920 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.934 3.279 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 7 26.025 3.274 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 7 26.887 5.569 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 7 26.681 5.671 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 7 25.084 5.768 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 7 25.618 4.244 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 7 28.507 4.328 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 7 27.440 2.903 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 7 28.209 3.471 -0.662 1.00 0.00 H new ATOM 111 N GLN A 8 26.001 5.749 -3.345 1.00 0.00 N ATOM 112 CA GLN A 8 26.417 5.867 -4.772 1.00 0.00 C ATOM 113 C GLN A 8 27.942 5.788 -4.883 1.00 0.00 C ATOM 114 O GLN A 8 28.662 6.426 -4.140 1.00 0.00 O ATOM 115 CB GLN A 8 25.916 7.240 -5.221 1.00 0.00 C ATOM 116 CG GLN A 8 24.458 7.419 -4.792 1.00 0.00 C ATOM 117 CD GLN A 8 23.797 8.492 -5.660 1.00 0.00 C ATOM 118 OE1 GLN A 8 24.171 9.647 -5.608 1.00 0.00 O ATOM 119 NE2 GLN A 8 22.824 8.156 -6.462 1.00 0.00 N ATOM 0 H GLN A 8 26.558 6.291 -2.684 1.00 0.00 H new ATOM 0 HA GLN A 8 26.010 5.066 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 8 26.533 8.025 -4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 8 26.001 7.333 -6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 8 23.921 6.476 -4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 8 24.410 7.706 -3.741 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.511 7.186 -6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 8 22.377 8.863 -7.046 1.00 0.00 H new ATOM 128 N ILE A 9 28.441 5.011 -5.804 1.00 0.00 N ATOM 129 CA ILE A 9 29.920 4.893 -5.959 1.00 0.00 C ATOM 130 C ILE A 9 30.343 5.371 -7.350 1.00 0.00 C ATOM 131 O ILE A 9 29.532 5.497 -8.245 1.00 0.00 O ATOM 132 CB ILE A 9 30.219 3.403 -5.788 1.00 0.00 C ATOM 133 CG1 ILE A 9 29.899 2.981 -4.352 1.00 0.00 C ATOM 134 CG2 ILE A 9 31.698 3.142 -6.078 1.00 0.00 C ATOM 135 CD1 ILE A 9 28.577 2.212 -4.329 1.00 0.00 C ATOM 0 H ILE A 9 27.890 4.453 -6.456 1.00 0.00 H new ATOM 0 HA ILE A 9 30.462 5.502 -5.235 1.00 0.00 H new ATOM 0 HB ILE A 9 29.606 2.828 -6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 9 30.701 2.358 -3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 9 29.832 3.859 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 9 31.911 2.080 -5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 9 31.927 3.443 -7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 9 32.312 3.717 -5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 9 28.349 1.911 -3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 9 27.778 2.850 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 9 28.661 1.326 -4.958 1.00 0.00 H new ATOM 147 N ARG A 10 31.606 5.643 -7.537 1.00 0.00 N ATOM 148 CA ARG A 10 32.075 6.118 -8.871 1.00 0.00 C ATOM 149 C ARG A 10 33.260 5.275 -9.351 1.00 0.00 C ATOM 150 O ARG A 10 33.797 5.493 -10.419 1.00 0.00 O ATOM 151 CB ARG A 10 32.505 7.567 -8.643 1.00 0.00 C ATOM 152 CG ARG A 10 33.043 8.154 -9.949 1.00 0.00 C ATOM 153 CD ARG A 10 33.287 9.654 -9.771 1.00 0.00 C ATOM 154 NE ARG A 10 33.109 10.236 -11.129 1.00 0.00 N ATOM 155 CZ ARG A 10 34.102 10.852 -11.711 1.00 0.00 C ATOM 156 NH1 ARG A 10 34.808 11.724 -11.045 1.00 0.00 N ATOM 157 NH2 ARG A 10 34.389 10.595 -12.958 1.00 0.00 N ATOM 0 H ARG A 10 32.332 5.557 -6.826 1.00 0.00 H new ATOM 0 HA ARG A 10 31.301 6.035 -9.634 1.00 0.00 H new ATOM 0 HB2 ARG A 10 31.659 8.156 -8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 10 33.271 7.612 -7.869 1.00 0.00 H new ATOM 0 HG2 ARG A 10 33.970 7.655 -10.230 1.00 0.00 H new ATOM 0 HG3 ARG A 10 32.332 7.984 -10.757 1.00 0.00 H new ATOM 0 HD2 ARG A 10 32.583 10.087 -9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 10 34.288 9.848 -9.386 1.00 0.00 H new ATOM 0 HE ARG A 10 32.211 10.154 -11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 10 34.584 11.924 -10.070 1.00 0.00 H new ATOM 0 HH12 ARG A 10 35.584 12.206 -11.499 1.00 0.00 H new ATOM 0 HH21 ARG A 10 33.837 9.913 -13.478 1.00 0.00 H new ATOM 0 HH22 ARG A 10 35.165 11.077 -13.412 1.00 0.00 H new ATOM 171 N GLY A 11 33.673 4.313 -8.571 1.00 0.00 N ATOM 172 CA GLY A 11 34.823 3.461 -8.987 1.00 0.00 C ATOM 173 C GLY A 11 34.499 1.991 -8.713 1.00 0.00 C ATOM 174 O GLY A 11 33.857 1.658 -7.737 1.00 0.00 O ATOM 0 H GLY A 11 33.265 4.081 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 11 35.031 3.606 -10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 11 35.721 3.753 -8.443 1.00 0.00 H new ATOM 178 N ARG A 12 34.940 1.108 -9.567 1.00 0.00 N ATOM 179 CA ARG A 12 34.659 -0.341 -9.355 1.00 0.00 C ATOM 180 C ARG A 12 35.554 -0.896 -8.244 1.00 0.00 C ATOM 181 O ARG A 12 35.130 -1.693 -7.431 1.00 0.00 O ATOM 182 CB ARG A 12 34.990 -1.008 -10.692 1.00 0.00 C ATOM 183 CG ARG A 12 34.010 -2.154 -10.949 1.00 0.00 C ATOM 184 CD ARG A 12 34.187 -2.666 -12.380 1.00 0.00 C ATOM 185 NE ARG A 12 33.165 -3.738 -12.535 1.00 0.00 N ATOM 186 CZ ARG A 12 33.421 -4.781 -13.276 1.00 0.00 C ATOM 187 NH1 ARG A 12 33.573 -4.644 -14.566 1.00 0.00 N ATOM 188 NH2 ARG A 12 33.526 -5.961 -12.728 1.00 0.00 N ATOM 0 H ARG A 12 35.483 1.327 -10.402 1.00 0.00 H new ATOM 0 HA ARG A 12 33.627 -0.522 -9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 12 34.931 -0.278 -11.499 1.00 0.00 H new ATOM 0 HB3 ARG A 12 36.012 -1.386 -10.678 1.00 0.00 H new ATOM 0 HG2 ARG A 12 34.184 -2.962 -10.238 1.00 0.00 H new ATOM 0 HG3 ARG A 12 32.986 -1.812 -10.798 1.00 0.00 H new ATOM 0 HD2 ARG A 12 34.035 -1.868 -13.106 1.00 0.00 H new ATOM 0 HD3 ARG A 12 35.193 -3.054 -12.539 1.00 0.00 H new ATOM 0 HE ARG A 12 32.265 -3.657 -12.062 1.00 0.00 H new ATOM 0 HH11 ARG A 12 33.492 -3.722 -14.994 1.00 0.00 H new ATOM 0 HH12 ARG A 12 33.773 -5.459 -15.145 1.00 0.00 H new ATOM 0 HH21 ARG A 12 33.408 -6.068 -11.720 1.00 0.00 H new ATOM 0 HH22 ARG A 12 33.726 -6.776 -13.307 1.00 0.00 H new ATOM 202 N GLU A 13 36.790 -0.480 -8.202 1.00 0.00 N ATOM 203 CA GLU A 13 37.712 -0.983 -7.144 1.00 0.00 C ATOM 204 C GLU A 13 37.094 -0.773 -5.759 1.00 0.00 C ATOM 205 O GLU A 13 37.183 -1.622 -4.894 1.00 0.00 O ATOM 206 CB GLU A 13 38.983 -0.146 -7.297 1.00 0.00 C ATOM 207 CG GLU A 13 40.154 -0.868 -6.627 1.00 0.00 C ATOM 208 CD GLU A 13 40.693 -1.949 -7.566 1.00 0.00 C ATOM 209 OE1 GLU A 13 40.138 -2.102 -8.641 1.00 0.00 O ATOM 210 OE2 GLU A 13 41.651 -2.605 -7.193 1.00 0.00 O ATOM 0 H GLU A 13 37.202 0.187 -8.855 1.00 0.00 H new ATOM 0 HA GLU A 13 37.912 -2.050 -7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 13 39.199 0.017 -8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 13 38.841 0.836 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 13 40.943 -0.156 -6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 13 39.829 -1.316 -5.688 1.00 0.00 H new ATOM 217 N ARG A 14 36.462 0.348 -5.545 1.00 0.00 N ATOM 218 CA ARG A 14 35.832 0.609 -4.224 1.00 0.00 C ATOM 219 C ARG A 14 34.458 -0.054 -4.181 1.00 0.00 C ATOM 220 O ARG A 14 34.108 -0.735 -3.234 1.00 0.00 O ATOM 221 CB ARG A 14 35.698 2.131 -4.142 1.00 0.00 C ATOM 222 CG ARG A 14 37.039 2.783 -4.487 1.00 0.00 C ATOM 223 CD ARG A 14 36.854 3.735 -5.671 1.00 0.00 C ATOM 224 NE ARG A 14 36.355 5.003 -5.071 1.00 0.00 N ATOM 225 CZ ARG A 14 35.862 5.938 -5.837 1.00 0.00 C ATOM 226 NH1 ARG A 14 36.052 5.893 -7.127 1.00 0.00 N ATOM 227 NH2 ARG A 14 35.178 6.918 -5.312 1.00 0.00 N ATOM 0 H ARG A 14 36.355 1.095 -6.231 1.00 0.00 H new ATOM 0 HA ARG A 14 36.414 0.212 -3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 14 34.926 2.476 -4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 14 35.386 2.425 -3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 14 37.423 3.328 -3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 14 37.775 2.018 -4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 14 37.793 3.892 -6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 14 36.143 3.333 -6.393 1.00 0.00 H new ATOM 0 HE ARG A 14 36.398 5.141 -4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 14 36.586 5.127 -7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 14 35.667 6.624 -7.725 1.00 0.00 H new ATOM 0 HH21 ARG A 14 35.029 6.953 -4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 14 34.793 7.649 -5.910 1.00 0.00 H new ATOM 241 N PHE A 15 33.678 0.136 -5.209 1.00 0.00 N ATOM 242 CA PHE A 15 32.329 -0.483 -5.238 1.00 0.00 C ATOM 243 C PHE A 15 32.432 -1.958 -4.851 1.00 0.00 C ATOM 244 O PHE A 15 31.692 -2.447 -4.021 1.00 0.00 O ATOM 245 CB PHE A 15 31.846 -0.336 -6.680 1.00 0.00 C ATOM 246 CG PHE A 15 30.484 -0.972 -6.816 1.00 0.00 C ATOM 247 CD1 PHE A 15 30.375 -2.343 -7.079 1.00 0.00 C ATOM 248 CD2 PHE A 15 29.330 -0.193 -6.673 1.00 0.00 C ATOM 249 CE1 PHE A 15 29.113 -2.934 -7.200 1.00 0.00 C ATOM 250 CE2 PHE A 15 28.067 -0.785 -6.793 1.00 0.00 C ATOM 251 CZ PHE A 15 27.959 -2.156 -7.056 1.00 0.00 C ATOM 0 H PHE A 15 33.919 0.693 -6.029 1.00 0.00 H new ATOM 0 HA PHE A 15 31.640 -0.011 -4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 15 31.797 0.718 -6.954 1.00 0.00 H new ATOM 0 HB3 PHE A 15 32.551 -0.810 -7.362 1.00 0.00 H new ATOM 0 HD1 PHE A 15 31.265 -2.944 -7.188 1.00 0.00 H new ATOM 0 HD2 PHE A 15 29.414 0.864 -6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 15 29.029 -3.991 -7.405 1.00 0.00 H new ATOM 0 HE2 PHE A 15 27.176 -0.184 -6.683 1.00 0.00 H new ATOM 0 HZ PHE A 15 26.985 -2.613 -7.148 1.00 0.00 H new ATOM 261 N GLU A 16 33.354 -2.669 -5.442 1.00 0.00 N ATOM 262 CA GLU A 16 33.512 -4.109 -5.100 1.00 0.00 C ATOM 263 C GLU A 16 33.460 -4.284 -3.582 1.00 0.00 C ATOM 264 O GLU A 16 32.876 -5.219 -3.071 1.00 0.00 O ATOM 265 CB GLU A 16 34.889 -4.497 -5.638 1.00 0.00 C ATOM 266 CG GLU A 16 34.774 -4.872 -7.116 1.00 0.00 C ATOM 267 CD GLU A 16 35.217 -6.324 -7.310 1.00 0.00 C ATOM 268 OE1 GLU A 16 34.758 -7.168 -6.557 1.00 0.00 O ATOM 269 OE2 GLU A 16 36.007 -6.567 -8.207 1.00 0.00 O ATOM 0 H GLU A 16 34.003 -2.315 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 16 32.724 -4.730 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 16 35.585 -3.668 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.290 -5.336 -5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 16 33.746 -4.746 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.393 -4.208 -7.720 1.00 0.00 H new ATOM 276 N GLN A 17 34.065 -3.381 -2.857 1.00 0.00 N ATOM 277 CA GLN A 17 34.050 -3.487 -1.370 1.00 0.00 C ATOM 278 C GLN A 17 32.624 -3.299 -0.847 1.00 0.00 C ATOM 279 O GLN A 17 32.140 -4.072 -0.044 1.00 0.00 O ATOM 280 CB GLN A 17 34.953 -2.355 -0.882 1.00 0.00 C ATOM 281 CG GLN A 17 36.233 -2.945 -0.285 1.00 0.00 C ATOM 282 CD GLN A 17 36.090 -3.041 1.235 1.00 0.00 C ATOM 283 OE1 GLN A 17 37.066 -2.959 1.954 1.00 0.00 O ATOM 284 NE2 GLN A 17 34.907 -3.214 1.758 1.00 0.00 N ATOM 0 H GLN A 17 34.568 -2.576 -3.230 1.00 0.00 H new ATOM 0 HA GLN A 17 34.394 -4.460 -1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.198 -1.689 -1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.432 -1.757 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 17 36.422 -3.932 -0.706 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.088 -2.320 -0.542 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.088 -3.283 1.154 1.00 0.00 H new ATOM 0 HE22 GLN A 17 34.802 -3.280 2.770 1.00 0.00 H new ATOM 293 N PHE A 18 31.947 -2.278 -1.298 1.00 0.00 N ATOM 294 CA PHE A 18 30.551 -2.046 -0.824 1.00 0.00 C ATOM 295 C PHE A 18 29.651 -3.214 -1.239 1.00 0.00 C ATOM 296 O PHE A 18 29.059 -3.877 -0.410 1.00 0.00 O ATOM 297 CB PHE A 18 30.110 -0.749 -1.505 1.00 0.00 C ATOM 298 CG PHE A 18 30.953 0.393 -0.991 1.00 0.00 C ATOM 299 CD1 PHE A 18 30.584 1.066 0.180 1.00 0.00 C ATOM 300 CD2 PHE A 18 32.109 0.773 -1.681 1.00 0.00 C ATOM 301 CE1 PHE A 18 31.372 2.119 0.660 1.00 0.00 C ATOM 302 CE2 PHE A 18 32.897 1.827 -1.202 1.00 0.00 C ATOM 303 CZ PHE A 18 32.529 2.499 -0.031 1.00 0.00 C ATOM 0 H PHE A 18 32.298 -1.597 -1.971 1.00 0.00 H new ATOM 0 HA PHE A 18 30.488 -1.972 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 18 30.217 -0.837 -2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.056 -0.558 -1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 18 29.692 0.773 0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 18 32.394 0.253 -2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 18 31.087 2.638 1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 18 33.788 2.121 -1.736 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.137 3.311 0.340 1.00 0.00 H new ATOM 313 N ARG A 19 29.546 -3.477 -2.514 1.00 0.00 N ATOM 314 CA ARG A 19 28.688 -4.608 -2.972 1.00 0.00 C ATOM 315 C ARG A 19 28.910 -5.831 -2.076 1.00 0.00 C ATOM 316 O ARG A 19 28.046 -6.222 -1.312 1.00 0.00 O ATOM 317 CB ARG A 19 29.147 -4.898 -4.401 1.00 0.00 C ATOM 318 CG ARG A 19 28.169 -5.868 -5.066 1.00 0.00 C ATOM 319 CD ARG A 19 26.933 -5.102 -5.541 1.00 0.00 C ATOM 320 NE ARG A 19 26.376 -5.923 -6.651 1.00 0.00 N ATOM 321 CZ ARG A 19 25.432 -6.792 -6.411 1.00 0.00 C ATOM 322 NH1 ARG A 19 24.377 -6.436 -5.731 1.00 0.00 N ATOM 323 NH2 ARG A 19 25.544 -8.015 -6.851 1.00 0.00 N ATOM 0 H ARG A 19 30.016 -2.959 -3.257 1.00 0.00 H new ATOM 0 HA ARG A 19 27.626 -4.369 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 19 29.201 -3.971 -4.972 1.00 0.00 H new ATOM 0 HB3 ARG A 19 30.150 -5.325 -4.392 1.00 0.00 H new ATOM 0 HG2 ARG A 19 28.649 -6.364 -5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 19 27.878 -6.648 -4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 19 26.208 -4.983 -4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 19 27.196 -4.101 -5.883 1.00 0.00 H new ATOM 0 HE ARG A 19 26.732 -5.806 -7.600 1.00 0.00 H new ATOM 0 HH11 ARG A 19 24.290 -5.479 -5.388 1.00 0.00 H new ATOM 0 HH12 ARG A 19 23.639 -7.114 -5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 19 26.369 -8.292 -7.383 1.00 0.00 H new ATOM 0 HH22 ARG A 19 24.806 -8.694 -6.663 1.00 0.00 H new ATOM 337 N GLU A 20 30.066 -6.434 -2.159 1.00 0.00 N ATOM 338 CA GLU A 20 30.345 -7.624 -1.307 1.00 0.00 C ATOM 339 C GLU A 20 29.854 -7.362 0.117 1.00 0.00 C ATOM 340 O GLU A 20 29.274 -8.219 0.754 1.00 0.00 O ATOM 341 CB GLU A 20 31.865 -7.783 -1.332 1.00 0.00 C ATOM 342 CG GLU A 20 32.266 -8.992 -0.484 1.00 0.00 C ATOM 343 CD GLU A 20 33.510 -9.648 -1.086 1.00 0.00 C ATOM 344 OE1 GLU A 20 33.350 -10.510 -1.934 1.00 0.00 O ATOM 345 OE2 GLU A 20 34.602 -9.276 -0.689 1.00 0.00 O ATOM 0 H GLU A 20 30.827 -6.154 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 20 29.841 -8.522 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 20 32.211 -7.914 -2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 20 32.342 -6.881 -0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 20 32.466 -8.680 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 20 31.447 -9.710 -0.444 1.00 0.00 H new ATOM 352 N ARG A 21 30.076 -6.177 0.618 1.00 0.00 N ATOM 353 CA ARG A 21 29.614 -5.853 1.996 1.00 0.00 C ATOM 354 C ARG A 21 28.085 -5.830 2.034 1.00 0.00 C ATOM 355 O ARG A 21 27.469 -6.357 2.939 1.00 0.00 O ATOM 356 CB ARG A 21 30.182 -4.465 2.290 1.00 0.00 C ATOM 357 CG ARG A 21 31.318 -4.583 3.306 1.00 0.00 C ATOM 358 CD ARG A 21 32.344 -5.604 2.809 1.00 0.00 C ATOM 359 NE ARG A 21 33.444 -5.564 3.813 1.00 0.00 N ATOM 360 CZ ARG A 21 33.850 -6.667 4.380 1.00 0.00 C ATOM 361 NH1 ARG A 21 33.052 -7.322 5.177 1.00 0.00 N ATOM 362 NH2 ARG A 21 35.054 -7.114 4.149 1.00 0.00 N ATOM 0 H ARG A 21 30.557 -5.420 0.132 1.00 0.00 H new ATOM 0 HA ARG A 21 29.944 -6.586 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 21 30.548 -4.008 1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 21 29.398 -3.815 2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 21 31.794 -3.613 3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 21 30.923 -4.890 4.275 1.00 0.00 H new ATOM 0 HD2 ARG A 21 31.908 -6.601 2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 21 32.708 -5.346 1.814 1.00 0.00 H new ATOM 0 HE ARG A 21 33.880 -4.675 4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 21 32.111 -6.972 5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.369 -8.184 5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 21 35.677 -6.601 3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 21 35.372 -7.976 4.592 1.00 0.00 H new ATOM 376 N ASN A 22 27.468 -5.229 1.052 1.00 0.00 N ATOM 377 CA ASN A 22 25.979 -5.184 1.031 1.00 0.00 C ATOM 378 C ASN A 22 25.423 -6.563 1.382 1.00 0.00 C ATOM 379 O ASN A 22 24.469 -6.692 2.124 1.00 0.00 O ATOM 380 CB ASN A 22 25.611 -4.804 -0.404 1.00 0.00 C ATOM 381 CG ASN A 22 24.178 -4.269 -0.440 1.00 0.00 C ATOM 382 OD1 ASN A 22 23.310 -4.867 -1.044 1.00 0.00 O ATOM 383 ND2 ASN A 22 23.892 -3.161 0.187 1.00 0.00 N ATOM 0 H ASN A 22 27.929 -4.769 0.267 1.00 0.00 H new ATOM 0 HA ASN A 22 25.570 -4.475 1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.302 -4.049 -0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.702 -5.673 -1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 22 22.939 -2.797 0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 22 24.621 -2.659 0.694 1.00 0.00 H new ATOM 390 N GLU A 23 26.020 -7.598 0.857 1.00 0.00 N ATOM 391 CA GLU A 23 25.535 -8.973 1.164 1.00 0.00 C ATOM 392 C GLU A 23 25.990 -9.386 2.568 1.00 0.00 C ATOM 393 O GLU A 23 25.205 -9.833 3.384 1.00 0.00 O ATOM 394 CB GLU A 23 26.181 -9.866 0.105 1.00 0.00 C ATOM 395 CG GLU A 23 25.315 -11.108 -0.115 1.00 0.00 C ATOM 396 CD GLU A 23 25.969 -12.009 -1.164 1.00 0.00 C ATOM 397 OE1 GLU A 23 27.032 -12.538 -0.882 1.00 0.00 O ATOM 398 OE2 GLU A 23 25.396 -12.155 -2.231 1.00 0.00 O ATOM 0 H GLU A 23 26.822 -7.551 0.229 1.00 0.00 H new ATOM 0 HA GLU A 23 24.448 -9.045 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 23 26.292 -9.317 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 23 27.182 -10.159 0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 23 25.195 -11.651 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.318 -10.815 -0.443 1.00 0.00 H new ATOM 405 N ALA A 24 27.254 -9.231 2.856 1.00 0.00 N ATOM 406 CA ALA A 24 27.762 -9.607 4.206 1.00 0.00 C ATOM 407 C ALA A 24 27.015 -8.815 5.281 1.00 0.00 C ATOM 408 O ALA A 24 26.535 -9.366 6.252 1.00 0.00 O ATOM 409 CB ALA A 24 29.243 -9.229 4.192 1.00 0.00 C ATOM 0 H ALA A 24 27.956 -8.861 2.215 1.00 0.00 H new ATOM 0 HA ALA A 24 27.617 -10.664 4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 24 29.691 -9.476 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 24 29.752 -9.782 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 24 29.344 -8.159 4.008 1.00 0.00 H new ATOM 415 N LEU A 25 26.909 -7.526 5.111 1.00 0.00 N ATOM 416 CA LEU A 25 26.188 -6.699 6.119 1.00 0.00 C ATOM 417 C LEU A 25 24.737 -7.169 6.234 1.00 0.00 C ATOM 418 O LEU A 25 24.186 -7.258 7.313 1.00 0.00 O ATOM 419 CB LEU A 25 26.251 -5.270 5.580 1.00 0.00 C ATOM 420 CG LEU A 25 27.495 -4.572 6.133 1.00 0.00 C ATOM 421 CD1 LEU A 25 27.305 -4.295 7.625 1.00 0.00 C ATOM 422 CD2 LEU A 25 28.715 -5.475 5.934 1.00 0.00 C ATOM 0 H LEU A 25 27.290 -7.010 4.318 1.00 0.00 H new ATOM 0 HA LEU A 25 26.629 -6.775 7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 25 26.281 -5.282 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 25 25.354 -4.721 5.868 1.00 0.00 H new ATOM 0 HG LEU A 25 27.648 -3.630 5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 25 28.192 -3.798 8.019 1.00 0.00 H new ATOM 0 HD12 LEU A 25 26.435 -3.653 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 25 27.152 -5.236 8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 25 29.603 -4.979 6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 25 28.561 -6.416 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 25 28.851 -5.673 4.871 1.00 0.00 H new ATOM 434 N GLU A 26 24.113 -7.476 5.128 1.00 0.00 N ATOM 435 CA GLU A 26 22.700 -7.945 5.179 1.00 0.00 C ATOM 436 C GLU A 26 22.567 -9.074 6.203 1.00 0.00 C ATOM 437 O GLU A 26 21.674 -9.076 7.027 1.00 0.00 O ATOM 438 CB GLU A 26 22.397 -8.456 3.770 1.00 0.00 C ATOM 439 CG GLU A 26 21.125 -7.783 3.248 1.00 0.00 C ATOM 440 CD GLU A 26 20.804 -8.312 1.849 1.00 0.00 C ATOM 441 OE1 GLU A 26 21.337 -9.349 1.492 1.00 0.00 O ATOM 442 OE2 GLU A 26 20.030 -7.670 1.158 1.00 0.00 O ATOM 0 H GLU A 26 24.520 -7.422 4.194 1.00 0.00 H new ATOM 0 HA GLU A 26 22.009 -7.156 5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 26 23.234 -8.242 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.270 -9.538 3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.293 -7.982 3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.259 -6.702 3.217 1.00 0.00 H new ATOM 449 N LEU A 27 23.455 -10.031 6.164 1.00 0.00 N ATOM 450 CA LEU A 27 23.379 -11.154 7.144 1.00 0.00 C ATOM 451 C LEU A 27 23.846 -10.677 8.522 1.00 0.00 C ATOM 452 O LEU A 27 23.326 -11.086 9.541 1.00 0.00 O ATOM 453 CB LEU A 27 24.322 -12.226 6.598 1.00 0.00 C ATOM 454 CG LEU A 27 23.548 -13.529 6.395 1.00 0.00 C ATOM 455 CD1 LEU A 27 24.055 -14.234 5.136 1.00 0.00 C ATOM 456 CD2 LEU A 27 23.757 -14.439 7.608 1.00 0.00 C ATOM 0 H LEU A 27 24.227 -10.084 5.499 1.00 0.00 H new ATOM 0 HA LEU A 27 22.364 -11.533 7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.756 -11.897 5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.149 -12.385 7.290 1.00 0.00 H new ATOM 0 HG LEU A 27 22.487 -13.307 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.503 -15.163 4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 27 23.907 -13.586 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 27 25.116 -14.456 5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.206 -15.368 7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 27 24.819 -14.660 7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 27 23.396 -13.937 8.506 1.00 0.00 H new ATOM 468 N LYS A 28 24.823 -9.811 8.559 1.00 0.00 N ATOM 469 CA LYS A 28 25.322 -9.305 9.870 1.00 0.00 C ATOM 470 C LYS A 28 24.145 -8.878 10.751 1.00 0.00 C ATOM 471 O LYS A 28 24.072 -9.217 11.915 1.00 0.00 O ATOM 472 CB LYS A 28 26.201 -8.101 9.516 1.00 0.00 C ATOM 473 CG LYS A 28 26.394 -7.214 10.750 1.00 0.00 C ATOM 474 CD LYS A 28 26.738 -8.083 11.962 1.00 0.00 C ATOM 475 CE LYS A 28 27.913 -7.460 12.720 1.00 0.00 C ATOM 476 NZ LYS A 28 27.734 -7.896 14.133 1.00 0.00 N ATOM 0 H LYS A 28 25.297 -9.432 7.739 1.00 0.00 H new ATOM 0 HA LYS A 28 25.874 -10.061 10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 28 27.169 -8.442 9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 28 25.739 -7.526 8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 28 27.191 -6.492 10.570 1.00 0.00 H new ATOM 0 HG3 LYS A 28 25.486 -6.644 10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 28 25.872 -8.169 12.619 1.00 0.00 H new ATOM 0 HD3 LYS A 28 26.994 -9.092 11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 28 28.867 -7.802 12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 28 27.904 -6.373 12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 28.503 -7.508 14.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 26.820 -7.550 14.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 27.754 -8.935 14.181 1.00 0.00 H new ATOM 490 N ASP A 29 23.221 -8.136 10.203 1.00 0.00 N ATOM 491 CA ASP A 29 22.049 -7.689 11.008 1.00 0.00 C ATOM 492 C ASP A 29 20.994 -8.798 11.064 1.00 0.00 C ATOM 493 O ASP A 29 20.256 -8.917 12.022 1.00 0.00 O ATOM 494 CB ASP A 29 21.504 -6.468 10.267 1.00 0.00 C ATOM 495 CG ASP A 29 21.787 -5.206 11.083 1.00 0.00 C ATOM 496 OD1 ASP A 29 22.949 -4.861 11.221 1.00 0.00 O ATOM 497 OD2 ASP A 29 20.836 -4.606 11.557 1.00 0.00 O ATOM 0 H ASP A 29 23.227 -7.820 9.233 1.00 0.00 H new ATOM 0 HA ASP A 29 22.319 -7.454 12.038 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.968 -6.389 9.284 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.431 -6.576 10.106 1.00 0.00 H new ATOM 502 N ALA A 30 20.918 -9.608 10.045 1.00 0.00 N ATOM 503 CA ALA A 30 19.911 -10.708 10.040 1.00 0.00 C ATOM 504 C ALA A 30 20.363 -11.843 10.964 1.00 0.00 C ATOM 505 O ALA A 30 19.628 -12.775 11.222 1.00 0.00 O ATOM 506 CB ALA A 30 19.854 -11.187 8.590 1.00 0.00 C ATOM 0 H ALA A 30 21.509 -9.557 9.215 1.00 0.00 H new ATOM 0 HA ALA A 30 18.936 -10.377 10.398 1.00 0.00 H new ATOM 0 HB1 ALA A 30 19.132 -11.999 8.503 1.00 0.00 H new ATOM 0 HB2 ALA A 30 19.551 -10.362 7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 30 20.838 -11.542 8.285 1.00 0.00 H new ATOM 512 N GLN A 31 21.567 -11.771 11.462 1.00 0.00 N ATOM 513 CA GLN A 31 22.063 -12.847 12.368 1.00 0.00 C ATOM 514 C GLN A 31 21.631 -12.567 13.809 1.00 0.00 C ATOM 515 O GLN A 31 20.897 -13.328 14.407 1.00 0.00 O ATOM 516 CB GLN A 31 23.586 -12.797 12.245 1.00 0.00 C ATOM 517 CG GLN A 31 24.051 -13.834 11.221 1.00 0.00 C ATOM 518 CD GLN A 31 25.570 -13.746 11.057 1.00 0.00 C ATOM 519 OE1 GLN A 31 26.201 -12.866 11.608 1.00 0.00 O ATOM 520 NE2 GLN A 31 26.186 -14.627 10.318 1.00 0.00 N ATOM 0 H GLN A 31 22.228 -11.015 11.282 1.00 0.00 H new ATOM 0 HA GLN A 31 21.664 -13.826 12.103 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.904 -11.800 11.939 1.00 0.00 H new ATOM 0 HB3 GLN A 31 24.046 -12.995 13.213 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.767 -14.835 11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.561 -13.660 10.263 1.00 0.00 H new ATOM 0 HE21 GLN A 31 25.655 -15.365 9.856 1.00 0.00 H new ATOM 0 HE22 GLN A 31 27.198 -14.577 10.202 1.00 0.00 H new ATOM 606 N TYR B 4 29.027 5.381 -13.480 1.00 0.00 N ATOM 607 CA TYR B 4 29.432 5.040 -12.086 1.00 0.00 C ATOM 608 C TYR B 4 28.552 3.911 -11.542 1.00 0.00 C ATOM 609 O TYR B 4 27.766 3.324 -12.258 1.00 0.00 O ATOM 610 CB TYR B 4 29.216 6.324 -11.286 1.00 0.00 C ATOM 611 CG TYR B 4 27.862 6.904 -11.616 1.00 0.00 C ATOM 612 CD1 TYR B 4 27.671 7.594 -12.819 1.00 0.00 C ATOM 613 CD2 TYR B 4 26.797 6.752 -10.720 1.00 0.00 C ATOM 614 CE1 TYR B 4 26.416 8.132 -13.126 1.00 0.00 C ATOM 615 CE2 TYR B 4 25.541 7.290 -11.028 1.00 0.00 C ATOM 616 CZ TYR B 4 25.351 7.980 -12.231 1.00 0.00 C ATOM 617 OH TYR B 4 24.114 8.511 -12.533 1.00 0.00 O ATOM 0 HA TYR B 4 30.464 4.694 -12.027 1.00 0.00 H new ATOM 0 HB2 TYR B 4 29.283 6.115 -10.218 1.00 0.00 H new ATOM 0 HB3 TYR B 4 29.999 7.046 -11.519 1.00 0.00 H new ATOM 0 HD1 TYR B 4 28.492 7.711 -13.510 1.00 0.00 H new ATOM 0 HD2 TYR B 4 26.944 6.220 -9.792 1.00 0.00 H new ATOM 0 HE1 TYR B 4 26.269 8.665 -14.054 1.00 0.00 H new ATOM 0 HE2 TYR B 4 24.719 7.172 -10.337 1.00 0.00 H new ATOM 0 HH TYR B 4 23.487 8.314 -11.806 1.00 0.00 H new ATOM 627 N PHE B 5 28.680 3.602 -10.281 1.00 0.00 N ATOM 628 CA PHE B 5 27.852 2.511 -9.693 1.00 0.00 C ATOM 629 C PHE B 5 26.958 3.065 -8.581 1.00 0.00 C ATOM 630 O PHE B 5 26.989 4.241 -8.275 1.00 0.00 O ATOM 631 CB PHE B 5 28.861 1.513 -9.126 1.00 0.00 C ATOM 632 CG PHE B 5 29.816 1.088 -10.216 1.00 0.00 C ATOM 633 CD1 PHE B 5 29.326 0.476 -11.375 1.00 0.00 C ATOM 634 CD2 PHE B 5 31.191 1.309 -10.068 1.00 0.00 C ATOM 635 CE1 PHE B 5 30.211 0.083 -12.387 1.00 0.00 C ATOM 636 CE2 PHE B 5 32.075 0.917 -11.080 1.00 0.00 C ATOM 637 CZ PHE B 5 31.585 0.304 -12.239 1.00 0.00 C ATOM 0 H PHE B 5 29.322 4.058 -9.632 1.00 0.00 H new ATOM 0 HA PHE B 5 27.192 2.050 -10.428 1.00 0.00 H new ATOM 0 HB2 PHE B 5 29.412 1.965 -8.301 1.00 0.00 H new ATOM 0 HB3 PHE B 5 28.342 0.643 -8.723 1.00 0.00 H new ATOM 0 HD1 PHE B 5 28.265 0.307 -11.489 1.00 0.00 H new ATOM 0 HD2 PHE B 5 31.569 1.782 -9.174 1.00 0.00 H new ATOM 0 HE1 PHE B 5 29.833 -0.390 -13.281 1.00 0.00 H new ATOM 0 HE2 PHE B 5 33.135 1.088 -10.967 1.00 0.00 H new ATOM 0 HZ PHE B 5 32.268 0.001 -13.019 1.00 0.00 H new ATOM 647 N THR B 6 26.161 2.229 -7.975 1.00 0.00 N ATOM 648 CA THR B 6 25.266 2.710 -6.883 1.00 0.00 C ATOM 649 C THR B 6 24.853 1.540 -5.986 1.00 0.00 C ATOM 650 O THR B 6 24.862 0.397 -6.397 1.00 0.00 O ATOM 651 CB THR B 6 24.048 3.294 -7.600 1.00 0.00 C ATOM 652 OG1 THR B 6 24.458 4.385 -8.413 1.00 0.00 O ATOM 653 CG2 THR B 6 23.027 3.777 -6.569 1.00 0.00 C ATOM 0 H THR B 6 26.090 1.234 -8.188 1.00 0.00 H new ATOM 0 HA THR B 6 25.752 3.445 -6.242 1.00 0.00 H new ATOM 0 HB THR B 6 23.591 2.526 -8.225 1.00 0.00 H new ATOM 0 HG1 THR B 6 25.363 4.662 -8.157 1.00 0.00 H new ATOM 0 HG21 THR B 6 22.160 4.193 -7.083 1.00 0.00 H new ATOM 0 HG22 THR B 6 22.713 2.938 -5.947 1.00 0.00 H new ATOM 0 HG23 THR B 6 23.479 4.545 -5.941 1.00 0.00 H new ATOM 661 N LEU B 7 24.494 1.816 -4.762 1.00 0.00 N ATOM 662 CA LEU B 7 24.083 0.718 -3.840 1.00 0.00 C ATOM 663 C LEU B 7 22.848 1.133 -3.035 1.00 0.00 C ATOM 664 O LEU B 7 22.513 2.298 -2.951 1.00 0.00 O ATOM 665 CB LEU B 7 25.282 0.513 -2.913 1.00 0.00 C ATOM 666 CG LEU B 7 25.526 -0.984 -2.718 1.00 0.00 C ATOM 667 CD1 LEU B 7 26.325 -1.530 -3.903 1.00 0.00 C ATOM 668 CD2 LEU B 7 26.317 -1.205 -1.426 1.00 0.00 C ATOM 0 H LEU B 7 24.467 2.753 -4.360 1.00 0.00 H new ATOM 0 HA LEU B 7 23.819 -0.193 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU B 7 26.168 0.984 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU B 7 25.097 0.991 -1.951 1.00 0.00 H new ATOM 0 HG LEU B 7 24.570 -1.503 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU B 7 26.499 -2.597 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU B 7 25.764 -1.371 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU B 7 27.282 -1.012 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU B 7 26.492 -2.271 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU B 7 27.273 -0.686 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU B 7 25.750 -0.815 -0.581 1.00 0.00 H new ATOM 680 N GLN B 8 22.170 0.188 -2.442 1.00 0.00 N ATOM 681 CA GLN B 8 20.958 0.528 -1.642 1.00 0.00 C ATOM 682 C GLN B 8 20.958 -0.254 -0.325 1.00 0.00 C ATOM 683 O GLN B 8 21.183 -1.448 -0.301 1.00 0.00 O ATOM 684 CB GLN B 8 19.774 0.109 -2.515 1.00 0.00 C ATOM 685 CG GLN B 8 19.975 0.640 -3.936 1.00 0.00 C ATOM 686 CD GLN B 8 18.625 0.714 -4.650 1.00 0.00 C ATOM 687 OE1 GLN B 8 17.999 -0.298 -4.897 1.00 0.00 O ATOM 688 NE2 GLN B 8 18.146 1.877 -4.996 1.00 0.00 N ATOM 0 H GLN B 8 22.403 -0.805 -2.477 1.00 0.00 H new ATOM 0 HA GLN B 8 20.918 1.586 -1.384 1.00 0.00 H new ATOM 0 HB2 GLN B 8 19.686 -0.977 -2.530 1.00 0.00 H new ATOM 0 HB3 GLN B 8 18.845 0.498 -2.098 1.00 0.00 H new ATOM 0 HG2 GLN B 8 20.436 1.627 -3.905 1.00 0.00 H new ATOM 0 HG3 GLN B 8 20.654 -0.012 -4.486 1.00 0.00 H new ATOM 0 HE21 GLN B 8 18.671 2.727 -4.789 1.00 0.00 H new ATOM 0 HE22 GLN B 8 17.247 1.937 -5.473 1.00 0.00 H new ATOM 697 N ILE B 9 20.707 0.410 0.770 1.00 0.00 N ATOM 698 CA ILE B 9 20.694 -0.296 2.084 1.00 0.00 C ATOM 699 C ILE B 9 19.299 -0.217 2.712 1.00 0.00 C ATOM 700 O ILE B 9 18.476 0.584 2.316 1.00 0.00 O ATOM 701 CB ILE B 9 21.714 0.448 2.944 1.00 0.00 C ATOM 702 CG1 ILE B 9 23.114 0.251 2.357 1.00 0.00 C ATOM 703 CG2 ILE B 9 21.679 -0.103 4.370 1.00 0.00 C ATOM 704 CD1 ILE B 9 23.543 1.521 1.620 1.00 0.00 C ATOM 0 H ILE B 9 20.510 1.410 0.812 1.00 0.00 H new ATOM 0 HA ILE B 9 20.939 -1.354 1.988 1.00 0.00 H new ATOM 0 HB ILE B 9 21.470 1.510 2.959 1.00 0.00 H new ATOM 0 HG12 ILE B 9 23.824 0.022 3.152 1.00 0.00 H new ATOM 0 HG13 ILE B 9 23.117 -0.597 1.673 1.00 0.00 H new ATOM 0 HG21 ILE B 9 22.407 0.428 4.983 1.00 0.00 H new ATOM 0 HG22 ILE B 9 20.682 0.035 4.789 1.00 0.00 H new ATOM 0 HG23 ILE B 9 21.923 -1.165 4.356 1.00 0.00 H new ATOM 0 HD11 ILE B 9 24.540 1.380 1.202 1.00 0.00 H new ATOM 0 HD12 ILE B 9 22.838 1.730 0.815 1.00 0.00 H new ATOM 0 HD13 ILE B 9 23.557 2.359 2.317 1.00 0.00 H new ATOM 716 N ARG B 10 19.027 -1.043 3.685 1.00 0.00 N ATOM 717 CA ARG B 10 17.683 -1.013 4.332 1.00 0.00 C ATOM 718 C ARG B 10 17.825 -0.915 5.853 1.00 0.00 C ATOM 719 O ARG B 10 16.849 -0.885 6.576 1.00 0.00 O ATOM 720 CB ARG B 10 17.028 -2.337 3.939 1.00 0.00 C ATOM 721 CG ARG B 10 15.643 -2.434 4.583 1.00 0.00 C ATOM 722 CD ARG B 10 14.910 -3.660 4.034 1.00 0.00 C ATOM 723 NE ARG B 10 13.465 -3.313 4.119 1.00 0.00 N ATOM 724 CZ ARG B 10 12.664 -4.031 4.858 1.00 0.00 C ATOM 725 NH1 ARG B 10 12.710 -5.334 4.795 1.00 0.00 N ATOM 726 NH2 ARG B 10 11.816 -3.447 5.660 1.00 0.00 N ATOM 0 H ARG B 10 19.675 -1.736 4.060 1.00 0.00 H new ATOM 0 HA ARG B 10 17.092 -0.153 4.015 1.00 0.00 H new ATOM 0 HB2 ARG B 10 16.942 -2.404 2.854 1.00 0.00 H new ATOM 0 HB3 ARG B 10 17.650 -3.172 4.262 1.00 0.00 H new ATOM 0 HG2 ARG B 10 15.738 -2.509 5.666 1.00 0.00 H new ATOM 0 HG3 ARG B 10 15.069 -1.531 4.375 1.00 0.00 H new ATOM 0 HD2 ARG B 10 15.206 -3.870 3.006 1.00 0.00 H new ATOM 0 HD3 ARG B 10 15.137 -4.551 4.619 1.00 0.00 H new ATOM 0 HE ARG B 10 13.101 -2.514 3.600 1.00 0.00 H new ATOM 0 HH11 ARG B 10 13.372 -5.791 4.168 1.00 0.00 H new ATOM 0 HH12 ARG B 10 12.084 -5.895 5.373 1.00 0.00 H new ATOM 0 HH21 ARG B 10 11.779 -2.429 5.709 1.00 0.00 H new ATOM 0 HH22 ARG B 10 11.190 -4.009 6.237 1.00 0.00 H new ATOM 740 N GLY B 11 19.032 -0.866 6.346 1.00 0.00 N ATOM 741 CA GLY B 11 19.230 -0.772 7.820 1.00 0.00 C ATOM 742 C GLY B 11 20.308 0.268 8.129 1.00 0.00 C ATOM 743 O GLY B 11 21.277 0.405 7.409 1.00 0.00 O ATOM 0 H GLY B 11 19.889 -0.887 5.793 1.00 0.00 H new ATOM 0 HA2 GLY B 11 18.294 -0.495 8.306 1.00 0.00 H new ATOM 0 HA3 GLY B 11 19.522 -1.743 8.220 1.00 0.00 H new ATOM 747 N ARG B 12 20.147 1.001 9.197 1.00 0.00 N ATOM 748 CA ARG B 12 21.164 2.031 9.554 1.00 0.00 C ATOM 749 C ARG B 12 22.413 1.362 10.133 1.00 0.00 C ATOM 750 O ARG B 12 23.527 1.754 9.847 1.00 0.00 O ATOM 751 CB ARG B 12 20.487 2.906 10.610 1.00 0.00 C ATOM 752 CG ARG B 12 20.924 4.360 10.425 1.00 0.00 C ATOM 753 CD ARG B 12 20.075 5.266 11.320 1.00 0.00 C ATOM 754 NE ARG B 12 20.552 6.647 11.030 1.00 0.00 N ATOM 755 CZ ARG B 12 20.576 7.542 11.980 1.00 0.00 C ATOM 756 NH1 ARG B 12 19.458 7.962 12.507 1.00 0.00 N ATOM 757 NH2 ARG B 12 21.716 8.016 12.402 1.00 0.00 N ATOM 0 H ARG B 12 19.356 0.931 9.837 1.00 0.00 H new ATOM 0 HA ARG B 12 21.486 2.611 8.689 1.00 0.00 H new ATOM 0 HB2 ARG B 12 19.403 2.827 10.523 1.00 0.00 H new ATOM 0 HB3 ARG B 12 20.752 2.560 11.609 1.00 0.00 H new ATOM 0 HG2 ARG B 12 21.979 4.468 10.676 1.00 0.00 H new ATOM 0 HG3 ARG B 12 20.813 4.654 9.381 1.00 0.00 H new ATOM 0 HD2 ARG B 12 19.014 5.160 11.096 1.00 0.00 H new ATOM 0 HD3 ARG B 12 20.206 5.016 12.373 1.00 0.00 H new ATOM 0 HE ARG B 12 20.860 6.893 10.089 1.00 0.00 H new ATOM 0 HH11 ARG B 12 18.567 7.591 12.176 1.00 0.00 H new ATOM 0 HH12 ARG B 12 19.475 8.661 13.249 1.00 0.00 H new ATOM 0 HH21 ARG B 12 22.589 7.687 11.990 1.00 0.00 H new ATOM 0 HH22 ARG B 12 21.734 8.715 13.144 1.00 0.00 H new ATOM 771 N GLU B 13 22.238 0.354 10.943 1.00 0.00 N ATOM 772 CA GLU B 13 23.418 -0.338 11.536 1.00 0.00 C ATOM 773 C GLU B 13 24.391 -0.752 10.430 1.00 0.00 C ATOM 774 O GLU B 13 25.591 -0.608 10.559 1.00 0.00 O ATOM 775 CB GLU B 13 22.845 -1.569 12.238 1.00 0.00 C ATOM 776 CG GLU B 13 23.849 -2.077 13.275 1.00 0.00 C ATOM 777 CD GLU B 13 23.747 -1.229 14.544 1.00 0.00 C ATOM 778 OE1 GLU B 13 22.952 -0.303 14.551 1.00 0.00 O ATOM 779 OE2 GLU B 13 24.464 -1.519 15.487 1.00 0.00 O ATOM 0 H GLU B 13 21.330 -0.020 11.220 1.00 0.00 H new ATOM 0 HA GLU B 13 23.971 0.300 12.225 1.00 0.00 H new ATOM 0 HB2 GLU B 13 21.901 -1.319 12.722 1.00 0.00 H new ATOM 0 HB3 GLU B 13 22.632 -2.351 11.509 1.00 0.00 H new ATOM 0 HG2 GLU B 13 23.650 -3.123 13.507 1.00 0.00 H new ATOM 0 HG3 GLU B 13 24.861 -2.027 12.872 1.00 0.00 H new ATOM 786 N ARG B 14 23.882 -1.257 9.340 1.00 0.00 N ATOM 787 CA ARG B 14 24.778 -1.671 8.223 1.00 0.00 C ATOM 788 C ARG B 14 25.163 -0.447 7.391 1.00 0.00 C ATOM 789 O ARG B 14 26.319 -0.225 7.090 1.00 0.00 O ATOM 790 CB ARG B 14 23.950 -2.648 7.389 1.00 0.00 C ATOM 791 CG ARG B 14 23.329 -3.704 8.306 1.00 0.00 C ATOM 792 CD ARG B 14 21.807 -3.684 8.151 1.00 0.00 C ATOM 793 NE ARG B 14 21.533 -4.517 6.947 1.00 0.00 N ATOM 794 CZ ARG B 14 20.350 -4.497 6.397 1.00 0.00 C ATOM 795 NH1 ARG B 14 19.341 -3.972 7.036 1.00 0.00 N ATOM 796 NH2 ARG B 14 20.176 -5.003 5.206 1.00 0.00 N ATOM 0 H ARG B 14 22.886 -1.401 9.174 1.00 0.00 H new ATOM 0 HA ARG B 14 25.703 -2.127 8.576 1.00 0.00 H new ATOM 0 HB2 ARG B 14 23.167 -2.112 6.852 1.00 0.00 H new ATOM 0 HB3 ARG B 14 24.580 -3.127 6.639 1.00 0.00 H new ATOM 0 HG2 ARG B 14 23.718 -4.691 8.056 1.00 0.00 H new ATOM 0 HG3 ARG B 14 23.602 -3.507 9.343 1.00 0.00 H new ATOM 0 HD2 ARG B 14 21.315 -4.092 9.034 1.00 0.00 H new ATOM 0 HD3 ARG B 14 21.437 -2.667 8.021 1.00 0.00 H new ATOM 0 HE ARG B 14 22.269 -5.102 6.553 1.00 0.00 H new ATOM 0 HH11 ARG B 14 19.477 -3.577 7.966 1.00 0.00 H new ATOM 0 HH12 ARG B 14 18.417 -3.957 6.605 1.00 0.00 H new ATOM 0 HH21 ARG B 14 20.965 -5.414 4.706 1.00 0.00 H new ATOM 0 HH22 ARG B 14 19.251 -4.988 4.775 1.00 0.00 H new ATOM 810 N PHE B 15 24.201 0.355 7.022 1.00 0.00 N ATOM 811 CA PHE B 15 24.512 1.568 6.217 1.00 0.00 C ATOM 812 C PHE B 15 25.696 2.312 6.837 1.00 0.00 C ATOM 813 O PHE B 15 26.633 2.684 6.159 1.00 0.00 O ATOM 814 CB PHE B 15 23.246 2.423 6.282 1.00 0.00 C ATOM 815 CG PHE B 15 23.465 3.703 5.513 1.00 0.00 C ATOM 816 CD1 PHE B 15 24.052 4.806 6.144 1.00 0.00 C ATOM 817 CD2 PHE B 15 23.083 3.786 4.169 1.00 0.00 C ATOM 818 CE1 PHE B 15 24.255 5.993 5.431 1.00 0.00 C ATOM 819 CE2 PHE B 15 23.286 4.974 3.456 1.00 0.00 C ATOM 820 CZ PHE B 15 23.873 6.077 4.087 1.00 0.00 C ATOM 0 H PHE B 15 23.214 0.222 7.244 1.00 0.00 H new ATOM 0 HA PHE B 15 24.785 1.328 5.189 1.00 0.00 H new ATOM 0 HB2 PHE B 15 22.402 1.875 5.864 1.00 0.00 H new ATOM 0 HB3 PHE B 15 22.998 2.647 7.320 1.00 0.00 H new ATOM 0 HD1 PHE B 15 24.348 4.741 7.181 1.00 0.00 H new ATOM 0 HD2 PHE B 15 22.632 2.934 3.682 1.00 0.00 H new ATOM 0 HE1 PHE B 15 24.707 6.845 5.918 1.00 0.00 H new ATOM 0 HE2 PHE B 15 22.990 5.039 2.419 1.00 0.00 H new ATOM 0 HZ PHE B 15 24.031 6.993 3.537 1.00 0.00 H new ATOM 830 N GLU B 16 25.664 2.524 8.125 1.00 0.00 N ATOM 831 CA GLU B 16 26.792 3.236 8.788 1.00 0.00 C ATOM 832 C GLU B 16 28.123 2.680 8.279 1.00 0.00 C ATOM 833 O GLU B 16 29.070 3.409 8.058 1.00 0.00 O ATOM 834 CB GLU B 16 26.624 2.944 10.280 1.00 0.00 C ATOM 835 CG GLU B 16 25.647 3.950 10.891 1.00 0.00 C ATOM 836 CD GLU B 16 26.358 4.756 11.979 1.00 0.00 C ATOM 837 OE1 GLU B 16 27.448 5.238 11.715 1.00 0.00 O ATOM 838 OE2 GLU B 16 25.802 4.878 13.058 1.00 0.00 O ATOM 0 H GLU B 16 24.907 2.235 8.745 1.00 0.00 H new ATOM 0 HA GLU B 16 26.789 4.307 8.583 1.00 0.00 H new ATOM 0 HB2 GLU B 16 26.254 1.929 10.423 1.00 0.00 H new ATOM 0 HB3 GLU B 16 27.588 3.006 10.784 1.00 0.00 H new ATOM 0 HG2 GLU B 16 25.266 4.618 10.119 1.00 0.00 H new ATOM 0 HG3 GLU B 16 24.788 3.428 11.313 1.00 0.00 H new ATOM 845 N GLN B 17 28.198 1.391 8.085 1.00 0.00 N ATOM 846 CA GLN B 17 29.463 0.783 7.584 1.00 0.00 C ATOM 847 C GLN B 17 29.731 1.243 6.149 1.00 0.00 C ATOM 848 O GLN B 17 30.818 1.673 5.817 1.00 0.00 O ATOM 849 CB GLN B 17 29.220 -0.726 7.626 1.00 0.00 C ATOM 850 CG GLN B 17 30.082 -1.353 8.722 1.00 0.00 C ATOM 851 CD GLN B 17 31.365 -1.914 8.105 1.00 0.00 C ATOM 852 OE1 GLN B 17 31.927 -2.868 8.605 1.00 0.00 O ATOM 853 NE2 GLN B 17 31.855 -1.358 7.031 1.00 0.00 N ATOM 0 H GLN B 17 27.437 0.733 8.252 1.00 0.00 H new ATOM 0 HA GLN B 17 30.328 1.072 8.180 1.00 0.00 H new ATOM 0 HB2 GLN B 17 28.166 -0.930 7.817 1.00 0.00 H new ATOM 0 HB3 GLN B 17 29.461 -1.171 6.660 1.00 0.00 H new ATOM 0 HG2 GLN B 17 30.326 -0.607 9.479 1.00 0.00 H new ATOM 0 HG3 GLN B 17 29.530 -2.148 9.224 1.00 0.00 H new ATOM 0 HE21 GLN B 17 31.383 -0.557 6.611 1.00 0.00 H new ATOM 0 HE22 GLN B 17 32.710 -1.724 6.612 1.00 0.00 H new ATOM 862 N PHE B 18 28.746 1.157 5.297 1.00 0.00 N ATOM 863 CA PHE B 18 28.942 1.591 3.884 1.00 0.00 C ATOM 864 C PHE B 18 29.260 3.087 3.834 1.00 0.00 C ATOM 865 O PHE B 18 30.294 3.494 3.343 1.00 0.00 O ATOM 866 CB PHE B 18 27.612 1.294 3.191 1.00 0.00 C ATOM 867 CG PHE B 18 27.382 -0.198 3.167 1.00 0.00 C ATOM 868 CD1 PHE B 18 27.911 -0.970 2.126 1.00 0.00 C ATOM 869 CD2 PHE B 18 26.646 -0.810 4.188 1.00 0.00 C ATOM 870 CE1 PHE B 18 27.703 -2.354 2.105 1.00 0.00 C ATOM 871 CE2 PHE B 18 26.438 -2.195 4.168 1.00 0.00 C ATOM 872 CZ PHE B 18 26.967 -2.967 3.126 1.00 0.00 C ATOM 0 H PHE B 18 27.814 0.805 5.518 1.00 0.00 H new ATOM 0 HA PHE B 18 29.772 1.076 3.401 1.00 0.00 H new ATOM 0 HB2 PHE B 18 26.796 1.791 3.717 1.00 0.00 H new ATOM 0 HB3 PHE B 18 27.623 1.688 2.175 1.00 0.00 H new ATOM 0 HD1 PHE B 18 28.480 -0.498 1.339 1.00 0.00 H new ATOM 0 HD2 PHE B 18 26.238 -0.214 4.991 1.00 0.00 H new ATOM 0 HE1 PHE B 18 28.110 -2.949 1.301 1.00 0.00 H new ATOM 0 HE2 PHE B 18 25.870 -2.667 4.956 1.00 0.00 H new ATOM 0 HZ PHE B 18 26.807 -4.035 3.110 1.00 0.00 H new ATOM 882 N ARG B 19 28.383 3.910 4.342 1.00 0.00 N ATOM 883 CA ARG B 19 28.645 5.377 4.324 1.00 0.00 C ATOM 884 C ARG B 19 30.092 5.652 4.737 1.00 0.00 C ATOM 885 O ARG B 19 30.909 6.062 3.936 1.00 0.00 O ATOM 886 CB ARG B 19 27.674 5.968 5.346 1.00 0.00 C ATOM 887 CG ARG B 19 27.683 7.494 5.233 1.00 0.00 C ATOM 888 CD ARG B 19 26.816 7.923 4.048 1.00 0.00 C ATOM 889 NE ARG B 19 26.385 9.312 4.371 1.00 0.00 N ATOM 890 CZ ARG B 19 27.061 10.328 3.910 1.00 0.00 C ATOM 891 NH1 ARG B 19 27.368 10.386 2.643 1.00 0.00 N ATOM 892 NH2 ARG B 19 27.429 11.287 4.715 1.00 0.00 N ATOM 0 H ARG B 19 27.499 3.631 4.767 1.00 0.00 H new ATOM 0 HA ARG B 19 28.505 5.812 3.334 1.00 0.00 H new ATOM 0 HB2 ARG B 19 26.668 5.585 5.172 1.00 0.00 H new ATOM 0 HB3 ARG B 19 27.960 5.665 6.353 1.00 0.00 H new ATOM 0 HG2 ARG B 19 27.306 7.940 6.153 1.00 0.00 H new ATOM 0 HG3 ARG B 19 28.703 7.853 5.100 1.00 0.00 H new ATOM 0 HD2 ARG B 19 27.378 7.891 3.115 1.00 0.00 H new ATOM 0 HD3 ARG B 19 25.958 7.262 3.926 1.00 0.00 H new ATOM 0 HE ARG B 19 25.562 9.469 4.952 1.00 0.00 H new ATOM 0 HH11 ARG B 19 27.079 9.637 2.014 1.00 0.00 H new ATOM 0 HH12 ARG B 19 27.897 11.180 2.282 1.00 0.00 H new ATOM 0 HH21 ARG B 19 27.188 11.242 5.705 1.00 0.00 H new ATOM 0 HH22 ARG B 19 27.958 12.081 4.354 1.00 0.00 H new ATOM 906 N GLU B 20 30.419 5.422 5.980 1.00 0.00 N ATOM 907 CA GLU B 20 31.817 5.664 6.436 1.00 0.00 C ATOM 908 C GLU B 20 32.799 5.114 5.400 1.00 0.00 C ATOM 909 O GLU B 20 33.798 5.731 5.087 1.00 0.00 O ATOM 910 CB GLU B 20 31.942 4.901 7.755 1.00 0.00 C ATOM 911 CG GLU B 20 33.351 5.084 8.320 1.00 0.00 C ATOM 912 CD GLU B 20 33.292 5.080 9.849 1.00 0.00 C ATOM 913 OE1 GLU B 20 33.110 6.144 10.418 1.00 0.00 O ATOM 914 OE2 GLU B 20 33.428 4.013 10.424 1.00 0.00 O ATOM 0 H GLU B 20 29.780 5.078 6.697 1.00 0.00 H new ATOM 0 HA GLU B 20 32.040 6.724 6.561 1.00 0.00 H new ATOM 0 HB2 GLU B 20 31.203 5.264 8.469 1.00 0.00 H new ATOM 0 HB3 GLU B 20 31.738 3.842 7.595 1.00 0.00 H new ATOM 0 HG2 GLU B 20 34.002 4.284 7.968 1.00 0.00 H new ATOM 0 HG3 GLU B 20 33.778 6.022 7.964 1.00 0.00 H new ATOM 921 N ARG B 21 32.516 3.961 4.860 1.00 0.00 N ATOM 922 CA ARG B 21 33.425 3.374 3.836 1.00 0.00 C ATOM 923 C ARG B 21 33.397 4.231 2.569 1.00 0.00 C ATOM 924 O ARG B 21 34.419 4.518 1.978 1.00 0.00 O ATOM 925 CB ARG B 21 32.865 1.979 3.560 1.00 0.00 C ATOM 926 CG ARG B 21 33.790 0.926 4.172 1.00 0.00 C ATOM 927 CD ARG B 21 34.024 1.246 5.650 1.00 0.00 C ATOM 928 NE ARG B 21 34.843 0.114 6.164 1.00 0.00 N ATOM 929 CZ ARG B 21 35.963 0.350 6.792 1.00 0.00 C ATOM 930 NH1 ARG B 21 36.970 0.880 6.153 1.00 0.00 N ATOM 931 NH2 ARG B 21 36.076 0.056 8.058 1.00 0.00 N ATOM 0 H ARG B 21 31.694 3.400 5.084 1.00 0.00 H new ATOM 0 HA ARG B 21 34.461 3.331 4.171 1.00 0.00 H new ATOM 0 HB2 ARG B 21 31.864 1.888 3.982 1.00 0.00 H new ATOM 0 HB3 ARG B 21 32.774 1.818 2.486 1.00 0.00 H new ATOM 0 HG2 ARG B 21 33.348 -0.065 4.070 1.00 0.00 H new ATOM 0 HG3 ARG B 21 34.740 0.908 3.638 1.00 0.00 H new ATOM 0 HD2 ARG B 21 34.544 2.196 5.771 1.00 0.00 H new ATOM 0 HD3 ARG B 21 33.081 1.328 6.190 1.00 0.00 H new ATOM 0 HE ARG B 21 34.529 -0.846 6.025 1.00 0.00 H new ATOM 0 HH11 ARG B 21 36.882 1.110 5.163 1.00 0.00 H new ATOM 0 HH12 ARG B 21 37.845 1.064 6.643 1.00 0.00 H new ATOM 0 HH21 ARG B 21 35.289 -0.358 8.558 1.00 0.00 H new ATOM 0 HH22 ARG B 21 36.951 0.241 8.548 1.00 0.00 H new ATOM 945 N ASN B 22 32.232 4.651 2.151 1.00 0.00 N ATOM 946 CA ASN B 22 32.143 5.499 0.928 1.00 0.00 C ATOM 947 C ASN B 22 33.222 6.581 0.974 1.00 0.00 C ATOM 948 O ASN B 22 33.863 6.878 -0.015 1.00 0.00 O ATOM 949 CB ASN B 22 30.749 6.126 0.977 1.00 0.00 C ATOM 950 CG ASN B 22 30.359 6.610 -0.421 1.00 0.00 C ATOM 951 OD1 ASN B 22 30.191 7.793 -0.642 1.00 0.00 O ATOM 952 ND2 ASN B 22 30.206 5.740 -1.381 1.00 0.00 N ATOM 0 H ASN B 22 31.341 4.444 2.603 1.00 0.00 H new ATOM 0 HA ASN B 22 32.295 4.929 0.011 1.00 0.00 H new ATOM 0 HB2 ASN B 22 30.023 5.397 1.337 1.00 0.00 H new ATOM 0 HB3 ASN B 22 30.738 6.960 1.679 1.00 0.00 H new ATOM 0 HD21 ASN B 22 29.946 6.053 -2.316 1.00 0.00 H new ATOM 0 HD22 ASN B 22 30.347 4.747 -1.196 1.00 0.00 H new ATOM 959 N GLU B 23 33.433 7.165 2.122 1.00 0.00 N ATOM 960 CA GLU B 23 34.476 8.222 2.242 1.00 0.00 C ATOM 961 C GLU B 23 35.863 7.577 2.292 1.00 0.00 C ATOM 962 O GLU B 23 36.758 7.946 1.558 1.00 0.00 O ATOM 963 CB GLU B 23 34.167 8.936 3.558 1.00 0.00 C ATOM 964 CG GLU B 23 34.689 10.372 3.496 1.00 0.00 C ATOM 965 CD GLU B 23 34.389 11.081 4.817 1.00 0.00 C ATOM 966 OE1 GLU B 23 34.961 10.688 5.821 1.00 0.00 O ATOM 967 OE2 GLU B 23 33.593 12.006 4.803 1.00 0.00 O ATOM 0 H GLU B 23 32.927 6.955 2.983 1.00 0.00 H new ATOM 0 HA GLU B 23 34.472 8.911 1.398 1.00 0.00 H new ATOM 0 HB2 GLU B 23 33.092 8.936 3.740 1.00 0.00 H new ATOM 0 HB3 GLU B 23 34.631 8.405 4.389 1.00 0.00 H new ATOM 0 HG2 GLU B 23 35.762 10.372 3.306 1.00 0.00 H new ATOM 0 HG3 GLU B 23 34.219 10.906 2.670 1.00 0.00 H new ATOM 974 N ALA B 24 36.045 6.610 3.151 1.00 0.00 N ATOM 975 CA ALA B 24 37.371 5.937 3.245 1.00 0.00 C ATOM 976 C ALA B 24 37.749 5.341 1.887 1.00 0.00 C ATOM 977 O ALA B 24 38.843 5.535 1.396 1.00 0.00 O ATOM 978 CB ALA B 24 37.183 4.830 4.283 1.00 0.00 C ATOM 0 H ALA B 24 35.333 6.258 3.791 1.00 0.00 H new ATOM 0 HA ALA B 24 38.168 6.625 3.527 1.00 0.00 H new ATOM 0 HB1 ALA B 24 38.119 4.287 4.409 1.00 0.00 H new ATOM 0 HB2 ALA B 24 36.888 5.271 5.235 1.00 0.00 H new ATOM 0 HB3 ALA B 24 36.407 4.143 3.946 1.00 0.00 H new ATOM 984 N LEU B 25 36.850 4.619 1.277 1.00 0.00 N ATOM 985 CA LEU B 25 37.156 4.015 -0.051 1.00 0.00 C ATOM 986 C LEU B 25 37.482 5.116 -1.062 1.00 0.00 C ATOM 987 O LEU B 25 38.390 4.991 -1.860 1.00 0.00 O ATOM 988 CB LEU B 25 35.880 3.275 -0.453 1.00 0.00 C ATOM 989 CG LEU B 25 35.954 1.828 0.038 1.00 0.00 C ATOM 990 CD1 LEU B 25 36.990 1.061 -0.785 1.00 0.00 C ATOM 991 CD2 LEU B 25 36.364 1.812 1.513 1.00 0.00 C ATOM 0 H LEU B 25 35.918 4.421 1.640 1.00 0.00 H new ATOM 0 HA LEU B 25 38.017 3.348 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU B 25 35.009 3.771 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU B 25 35.760 3.297 -1.536 1.00 0.00 H new ATOM 0 HG LEU B 25 34.978 1.356 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU B 25 37.042 0.030 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU B 25 36.701 1.073 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU B 25 37.966 1.533 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU B 25 36.417 0.782 1.865 1.00 0.00 H new ATOM 0 HD22 LEU B 25 37.340 2.284 1.624 1.00 0.00 H new ATOM 0 HD23 LEU B 25 35.627 2.359 2.101 1.00 0.00 H new ATOM 1003 N GLU B 26 36.751 6.198 -1.032 1.00 0.00 N ATOM 1004 CA GLU B 26 37.025 7.306 -1.990 1.00 0.00 C ATOM 1005 C GLU B 26 38.512 7.665 -1.961 1.00 0.00 C ATOM 1006 O GLU B 26 39.145 7.816 -2.987 1.00 0.00 O ATOM 1007 CB GLU B 26 36.177 8.479 -1.495 1.00 0.00 C ATOM 1008 CG GLU B 26 35.318 9.008 -2.645 1.00 0.00 C ATOM 1009 CD GLU B 26 34.488 10.197 -2.159 1.00 0.00 C ATOM 1010 OE1 GLU B 26 34.826 10.747 -1.124 1.00 0.00 O ATOM 1011 OE2 GLU B 26 33.528 10.537 -2.831 1.00 0.00 O ATOM 0 H GLU B 26 35.978 6.362 -0.387 1.00 0.00 H new ATOM 0 HA GLU B 26 36.781 7.037 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU B 26 35.541 8.159 -0.669 1.00 0.00 H new ATOM 0 HB3 GLU B 26 36.821 9.271 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU B 26 35.953 9.311 -3.478 1.00 0.00 H new ATOM 0 HG3 GLU B 26 34.662 8.220 -3.015 1.00 0.00 H new ATOM 1018 N LEU B 27 39.077 7.797 -0.791 1.00 0.00 N ATOM 1019 CA LEU B 27 40.525 8.138 -0.697 1.00 0.00 C ATOM 1020 C LEU B 27 41.372 6.907 -1.029 1.00 0.00 C ATOM 1021 O LEU B 27 42.422 7.006 -1.632 1.00 0.00 O ATOM 1022 CB LEU B 27 40.740 8.563 0.757 1.00 0.00 C ATOM 1023 CG LEU B 27 41.317 9.979 0.796 1.00 0.00 C ATOM 1024 CD1 LEU B 27 40.727 10.738 1.986 1.00 0.00 C ATOM 1025 CD2 LEU B 27 42.838 9.905 0.944 1.00 0.00 C ATOM 0 H LEU B 27 38.599 7.683 0.103 1.00 0.00 H new ATOM 0 HA LEU B 27 40.814 8.924 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU B 27 39.796 8.529 1.300 1.00 0.00 H new ATOM 0 HB3 LEU B 27 41.418 7.869 1.253 1.00 0.00 H new ATOM 0 HG LEU B 27 41.065 10.499 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU B 27 41.138 11.747 2.014 1.00 0.00 H new ATOM 0 HD12 LEU B 27 39.643 10.790 1.883 1.00 0.00 H new ATOM 0 HD13 LEU B 27 40.979 10.218 2.910 1.00 0.00 H new ATOM 0 HD21 LEU B 27 43.250 10.914 0.972 1.00 0.00 H new ATOM 0 HD22 LEU B 27 43.089 9.385 1.868 1.00 0.00 H new ATOM 0 HD23 LEU B 27 43.260 9.364 0.097 1.00 0.00 H new ATOM 1037 N LYS B 28 40.919 5.745 -0.642 1.00 0.00 N ATOM 1038 CA LYS B 28 41.691 4.504 -0.937 1.00 0.00 C ATOM 1039 C LYS B 28 42.114 4.488 -2.408 1.00 0.00 C ATOM 1040 O LYS B 28 43.248 4.204 -2.736 1.00 0.00 O ATOM 1041 CB LYS B 28 40.721 3.358 -0.636 1.00 0.00 C ATOM 1042 CG LYS B 28 41.196 2.075 -1.327 1.00 0.00 C ATOM 1043 CD LYS B 28 42.699 1.894 -1.102 1.00 0.00 C ATOM 1044 CE LYS B 28 42.985 0.445 -0.700 1.00 0.00 C ATOM 1045 NZ LYS B 28 44.379 0.188 -1.157 1.00 0.00 N ATOM 0 H LYS B 28 40.046 5.602 -0.134 1.00 0.00 H new ATOM 0 HA LYS B 28 42.604 4.427 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS B 28 40.656 3.199 0.440 1.00 0.00 H new ATOM 0 HB3 LYS B 28 39.720 3.618 -0.981 1.00 0.00 H new ATOM 0 HG2 LYS B 28 40.653 1.216 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS B 28 40.982 2.125 -2.395 1.00 0.00 H new ATOM 0 HD2 LYS B 28 43.246 2.145 -2.011 1.00 0.00 H new ATOM 0 HD3 LYS B 28 43.045 2.574 -0.323 1.00 0.00 H new ATOM 0 HE2 LYS B 28 42.891 0.308 0.377 1.00 0.00 H new ATOM 0 HE3 LYS B 28 42.282 -0.242 -1.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 44.649 -0.787 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 44.436 0.319 -2.187 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 45.027 0.852 -0.687 1.00 0.00 H new ATOM 1059 N ASP B 29 41.208 4.795 -3.297 1.00 0.00 N ATOM 1060 CA ASP B 29 41.557 4.800 -4.746 1.00 0.00 C ATOM 1061 C ASP B 29 42.221 6.127 -5.123 1.00 0.00 C ATOM 1062 O ASP B 29 43.036 6.192 -6.021 1.00 0.00 O ATOM 1063 CB ASP B 29 40.222 4.643 -5.475 1.00 0.00 C ATOM 1064 CG ASP B 29 40.151 3.257 -6.118 1.00 0.00 C ATOM 1065 OD1 ASP B 29 40.095 2.286 -5.381 1.00 0.00 O ATOM 1066 OD2 ASP B 29 40.152 3.190 -7.336 1.00 0.00 O ATOM 0 H ASP B 29 40.242 5.042 -3.082 1.00 0.00 H new ATOM 0 HA ASP B 29 42.259 4.007 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP B 29 39.396 4.774 -4.776 1.00 0.00 H new ATOM 0 HB3 ASP B 29 40.119 5.415 -6.238 1.00 0.00 H new ATOM 1071 N ALA B 30 41.878 7.187 -4.442 1.00 0.00 N ATOM 1072 CA ALA B 30 42.490 8.509 -4.761 1.00 0.00 C ATOM 1073 C ALA B 30 43.918 8.578 -4.212 1.00 0.00 C ATOM 1074 O ALA B 30 44.653 9.507 -4.483 1.00 0.00 O ATOM 1075 CB ALA B 30 41.597 9.536 -4.063 1.00 0.00 C ATOM 0 H ALA B 30 41.201 7.195 -3.679 1.00 0.00 H new ATOM 0 HA ALA B 30 42.554 8.686 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA B 30 41.981 10.539 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA B 30 40.581 9.458 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA B 30 41.591 9.344 -2.990 1.00 0.00 H new ATOM 1081 N GLN B 31 44.315 7.601 -3.443 1.00 0.00 N ATOM 1082 CA GLN B 31 45.695 7.611 -2.879 1.00 0.00 C ATOM 1083 C GLN B 31 46.681 7.005 -3.881 1.00 0.00 C ATOM 1084 O GLN B 31 47.590 7.663 -4.348 1.00 0.00 O ATOM 1085 CB GLN B 31 45.613 6.749 -1.618 1.00 0.00 C ATOM 1086 CG GLN B 31 45.409 7.649 -0.397 1.00 0.00 C ATOM 1087 CD GLN B 31 45.271 6.785 0.858 1.00 0.00 C ATOM 1088 OE1 GLN B 31 45.217 5.574 0.773 1.00 0.00 O ATOM 1089 NE2 GLN B 31 45.210 7.360 2.027 1.00 0.00 N ATOM 0 H GLN B 31 43.744 6.797 -3.181 1.00 0.00 H new ATOM 0 HA GLN B 31 46.045 8.620 -2.661 1.00 0.00 H new ATOM 0 HB2 GLN B 31 44.789 6.040 -1.702 1.00 0.00 H new ATOM 0 HB3 GLN B 31 46.526 6.165 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN B 31 46.252 8.331 -0.290 1.00 0.00 H new ATOM 0 HG3 GLN B 31 44.517 8.262 -0.529 1.00 0.00 H new ATOM 0 HE21 GLN B 31 45.255 8.376 2.098 1.00 0.00 H new ATOM 0 HE22 GLN B 31 45.117 6.793 2.870 1.00 0.00 H new