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 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.28) USER MOD Single : A 22 ASN : amide:sc= 0.0493 X(o=0.049,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.15) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 GLN : amide:sc= -0.984 K(o=-0.98,f=-0.18) USER MOD Single : B 22 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 15.806 -6.243 -0.700 1.00 0.00 N ATOM 38 CA TYR A 4 16.969 -5.764 0.101 1.00 0.00 C ATOM 39 C TYR A 4 18.247 -5.800 -0.742 1.00 0.00 C ATOM 40 O TYR A 4 18.393 -6.613 -1.633 1.00 0.00 O ATOM 41 CB TYR A 4 17.073 -6.744 1.270 1.00 0.00 C ATOM 42 CG TYR A 4 16.947 -5.991 2.573 1.00 0.00 C ATOM 43 CD1 TYR A 4 15.689 -5.569 3.019 1.00 0.00 C ATOM 44 CD2 TYR A 4 18.088 -5.716 3.336 1.00 0.00 C ATOM 45 CE1 TYR A 4 15.572 -4.872 4.228 1.00 0.00 C ATOM 46 CE2 TYR A 4 17.971 -5.018 4.545 1.00 0.00 C ATOM 47 CZ TYR A 4 16.713 -4.596 4.990 1.00 0.00 C ATOM 48 OH TYR A 4 16.598 -3.909 6.181 1.00 0.00 O ATOM 0 HA TYR A 4 16.841 -4.735 0.438 1.00 0.00 H new ATOM 0 HB2 TYR A 4 16.289 -7.498 1.197 1.00 0.00 H new ATOM 0 HB3 TYR A 4 18.027 -7.270 1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 4 14.809 -5.781 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 4 19.059 -6.042 2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 4 14.601 -4.547 4.572 1.00 0.00 H new ATOM 0 HE2 TYR A 4 18.851 -4.806 5.133 1.00 0.00 H new ATOM 0 HH TYR A 4 17.485 -3.802 6.584 1.00 0.00 H new ATOM 58 N PHE A 5 19.175 -4.925 -0.464 1.00 0.00 N ATOM 59 CA PHE A 5 20.445 -4.909 -1.244 1.00 0.00 C ATOM 60 C PHE A 5 21.635 -5.143 -0.310 1.00 0.00 C ATOM 61 O PHE A 5 21.558 -4.904 0.879 1.00 0.00 O ATOM 62 CB PHE A 5 20.514 -3.513 -1.863 1.00 0.00 C ATOM 63 CG PHE A 5 19.501 -3.406 -2.978 1.00 0.00 C ATOM 64 CD1 PHE A 5 19.844 -3.807 -4.275 1.00 0.00 C ATOM 65 CD2 PHE A 5 18.220 -2.907 -2.715 1.00 0.00 C ATOM 66 CE1 PHE A 5 18.905 -3.708 -5.309 1.00 0.00 C ATOM 67 CE2 PHE A 5 17.281 -2.808 -3.749 1.00 0.00 C ATOM 68 CZ PHE A 5 17.623 -3.209 -5.046 1.00 0.00 C ATOM 0 H PHE A 5 19.108 -4.220 0.270 1.00 0.00 H new ATOM 0 HA PHE A 5 20.476 -5.690 -2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 5 20.316 -2.757 -1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 5 21.516 -3.323 -2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 5 20.832 -4.192 -4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 5 17.956 -2.598 -1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 5 19.169 -4.017 -6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 5 16.293 -2.422 -3.546 1.00 0.00 H new ATOM 0 HZ PHE A 5 16.899 -3.134 -5.843 1.00 0.00 H new ATOM 78 N THR A 6 22.734 -5.611 -0.834 1.00 0.00 N ATOM 79 CA THR A 6 23.922 -5.861 0.031 1.00 0.00 C ATOM 80 C THR A 6 25.207 -5.466 -0.701 1.00 0.00 C ATOM 81 O THR A 6 25.198 -5.176 -1.881 1.00 0.00 O ATOM 82 CB THR A 6 23.901 -7.365 0.305 1.00 0.00 C ATOM 83 OG1 THR A 6 22.840 -7.666 1.202 1.00 0.00 O ATOM 84 CG2 THR A 6 25.233 -7.791 0.924 1.00 0.00 C ATOM 0 H THR A 6 22.861 -5.831 -1.822 1.00 0.00 H new ATOM 0 HA THR A 6 23.892 -5.277 0.951 1.00 0.00 H new ATOM 0 HB THR A 6 23.750 -7.904 -0.630 1.00 0.00 H new ATOM 0 HG1 THR A 6 22.824 -8.630 1.378 1.00 0.00 H new ATOM 0 HG21 THR A 6 25.217 -8.863 1.119 1.00 0.00 H new ATOM 0 HG22 THR A 6 26.045 -7.559 0.235 1.00 0.00 H new ATOM 0 HG23 THR A 6 25.387 -7.254 1.860 1.00 0.00 H new ATOM 92 N LEU A 7 26.313 -5.452 -0.009 1.00 0.00 N ATOM 93 CA LEU A 7 27.600 -5.077 -0.662 1.00 0.00 C ATOM 94 C LEU A 7 28.772 -5.740 0.068 1.00 0.00 C ATOM 95 O LEU A 7 28.694 -6.037 1.243 1.00 0.00 O ATOM 96 CB LEU A 7 27.681 -3.555 -0.535 1.00 0.00 C ATOM 97 CG LEU A 7 28.528 -2.992 -1.677 1.00 0.00 C ATOM 98 CD1 LEU A 7 27.611 -2.468 -2.784 1.00 0.00 C ATOM 99 CD2 LEU A 7 29.395 -1.845 -1.151 1.00 0.00 C ATOM 0 H LEU A 7 26.382 -5.684 0.982 1.00 0.00 H new ATOM 0 HA LEU A 7 27.647 -5.401 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 7 26.680 -3.123 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 7 28.119 -3.282 0.425 1.00 0.00 H new ATOM 0 HG LEU A 7 29.167 -3.780 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 7 28.215 -2.067 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 7 26.992 -3.283 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 7 26.972 -1.681 -2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 7 29.999 -1.443 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 7 28.755 -1.058 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 7 30.049 -2.216 -0.362 1.00 0.00 H new ATOM 111 N GLN A 8 29.856 -5.973 -0.618 1.00 0.00 N ATOM 112 CA GLN A 8 31.029 -6.617 0.040 1.00 0.00 C ATOM 113 C GLN A 8 32.279 -5.753 -0.147 1.00 0.00 C ATOM 114 O GLN A 8 32.573 -5.296 -1.233 1.00 0.00 O ATOM 115 CB GLN A 8 31.193 -7.962 -0.671 1.00 0.00 C ATOM 116 CG GLN A 8 29.827 -8.636 -0.810 1.00 0.00 C ATOM 117 CD GLN A 8 29.986 -10.150 -0.667 1.00 0.00 C ATOM 118 OE1 GLN A 8 30.432 -10.815 -1.581 1.00 0.00 O ATOM 119 NE2 GLN A 8 29.637 -10.728 0.450 1.00 0.00 N ATOM 0 H GLN A 8 29.981 -5.746 -1.605 1.00 0.00 H new ATOM 0 HA GLN A 8 30.886 -6.739 1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 8 31.639 -7.813 -1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 8 31.871 -8.603 -0.107 1.00 0.00 H new ATOM 0 HG2 GLN A 8 29.145 -8.258 -0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 8 29.388 -8.396 -1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 8 29.263 -10.170 1.218 1.00 0.00 H new ATOM 0 HE22 GLN A 8 29.739 -11.737 0.555 1.00 0.00 H new ATOM 128 N ILE A 9 33.018 -5.524 0.905 1.00 0.00 N ATOM 129 CA ILE A 9 34.246 -4.688 0.783 1.00 0.00 C ATOM 130 C ILE A 9 35.471 -5.473 1.260 1.00 0.00 C ATOM 131 O ILE A 9 35.372 -6.350 2.094 1.00 0.00 O ATOM 132 CB ILE A 9 33.993 -3.482 1.687 1.00 0.00 C ATOM 133 CG1 ILE A 9 32.712 -2.773 1.241 1.00 0.00 C ATOM 134 CG2 ILE A 9 35.172 -2.513 1.590 1.00 0.00 C ATOM 135 CD1 ILE A 9 31.598 -3.049 2.253 1.00 0.00 C ATOM 0 H ILE A 9 32.825 -5.879 1.842 1.00 0.00 H new ATOM 0 HA ILE A 9 34.444 -4.391 -0.247 1.00 0.00 H new ATOM 0 HB ILE A 9 33.884 -3.817 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 9 32.887 -1.700 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 9 32.415 -3.123 0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 9 34.990 -1.653 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 9 36.085 -3.018 1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 9 35.282 -2.176 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 9 30.685 -2.544 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 9 31.418 -4.122 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 9 31.897 -2.677 3.233 1.00 0.00 H new ATOM 147 N ARG A 10 36.626 -5.165 0.736 1.00 0.00 N ATOM 148 CA ARG A 10 37.856 -5.895 1.159 1.00 0.00 C ATOM 149 C ARG A 10 38.938 -4.903 1.595 1.00 0.00 C ATOM 150 O ARG A 10 40.057 -4.946 1.125 1.00 0.00 O ATOM 151 CB ARG A 10 38.305 -6.665 -0.082 1.00 0.00 C ATOM 152 CG ARG A 10 38.696 -5.675 -1.181 1.00 0.00 C ATOM 153 CD ARG A 10 39.953 -6.175 -1.897 1.00 0.00 C ATOM 154 NE ARG A 10 39.632 -6.084 -3.348 1.00 0.00 N ATOM 155 CZ ARG A 10 39.634 -7.160 -4.086 1.00 0.00 C ATOM 156 NH1 ARG A 10 40.748 -7.586 -4.615 1.00 0.00 N ATOM 157 NH2 ARG A 10 38.522 -7.810 -4.294 1.00 0.00 N ATOM 0 H ARG A 10 36.772 -4.440 0.034 1.00 0.00 H new ATOM 0 HA ARG A 10 37.672 -6.556 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 10 39.151 -7.308 0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 10 37.502 -7.314 -0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 10 37.878 -5.565 -1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 10 38.878 -4.690 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 10 40.820 -5.564 -1.646 1.00 0.00 H new ATOM 0 HD3 ARG A 10 40.190 -7.199 -1.609 1.00 0.00 H new ATOM 0 HE ARG A 10 39.410 -5.180 -3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 10 41.617 -7.078 -4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 10 40.750 -8.427 -5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 10 37.651 -7.477 -3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 10 38.523 -8.651 -4.871 1.00 0.00 H new ATOM 171 N GLY A 11 38.612 -4.012 2.490 1.00 0.00 N ATOM 172 CA GLY A 11 39.622 -3.020 2.955 1.00 0.00 C ATOM 173 C GLY A 11 39.001 -2.122 4.026 1.00 0.00 C ATOM 174 O GLY A 11 37.816 -1.852 4.012 1.00 0.00 O ATOM 0 H GLY A 11 37.691 -3.928 2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 11 40.494 -3.535 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 11 39.968 -2.417 2.116 1.00 0.00 H new ATOM 178 N ARG A 12 39.790 -1.656 4.955 1.00 0.00 N ATOM 179 CA ARG A 12 39.242 -0.776 6.026 1.00 0.00 C ATOM 180 C ARG A 12 39.182 0.676 5.541 1.00 0.00 C ATOM 181 O ARG A 12 38.361 1.454 5.984 1.00 0.00 O ATOM 182 CB ARG A 12 40.220 -0.914 7.193 1.00 0.00 C ATOM 183 CG ARG A 12 39.524 -0.504 8.493 1.00 0.00 C ATOM 184 CD ARG A 12 39.805 -1.549 9.575 1.00 0.00 C ATOM 185 NE ARG A 12 39.773 -0.792 10.857 1.00 0.00 N ATOM 186 CZ ARG A 12 40.172 -1.362 11.962 1.00 0.00 C ATOM 187 NH1 ARG A 12 41.417 -1.728 12.095 1.00 0.00 N ATOM 188 NH2 ARG A 12 39.326 -1.564 12.934 1.00 0.00 N ATOM 0 H ARG A 12 40.790 -1.846 5.019 1.00 0.00 H new ATOM 0 HA ARG A 12 38.228 -1.056 6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 12 40.573 -1.943 7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 12 41.096 -0.288 7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 12 39.881 0.474 8.816 1.00 0.00 H new ATOM 0 HG3 ARG A 12 38.450 -0.414 8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 12 39.055 -2.340 9.565 1.00 0.00 H new ATOM 0 HD3 ARG A 12 40.773 -2.026 9.422 1.00 0.00 H new ATOM 0 HE ARG A 12 39.439 0.172 10.872 1.00 0.00 H new ATOM 0 HH11 ARG A 12 42.079 -1.569 11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 12 41.728 -2.173 12.958 1.00 0.00 H new ATOM 0 HH21 ARG A 12 38.353 -1.277 12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 12 39.638 -2.009 13.797 1.00 0.00 H new ATOM 202 N GLU A 13 40.045 1.046 4.635 1.00 0.00 N ATOM 203 CA GLU A 13 40.034 2.447 4.123 1.00 0.00 C ATOM 204 C GLU A 13 38.831 2.662 3.199 1.00 0.00 C ATOM 205 O GLU A 13 38.240 3.723 3.169 1.00 0.00 O ATOM 206 CB GLU A 13 41.343 2.596 3.346 1.00 0.00 C ATOM 207 CG GLU A 13 42.456 3.036 4.298 1.00 0.00 C ATOM 208 CD GLU A 13 43.724 3.337 3.497 1.00 0.00 C ATOM 209 OE1 GLU A 13 44.128 2.486 2.722 1.00 0.00 O ATOM 210 OE2 GLU A 13 44.269 4.415 3.672 1.00 0.00 O ATOM 0 H GLU A 13 40.757 0.440 4.227 1.00 0.00 H new ATOM 0 HA GLU A 13 39.952 3.180 4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 13 41.607 1.650 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 13 41.223 3.328 2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 13 42.145 3.921 4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 13 42.653 2.253 5.030 1.00 0.00 H new ATOM 217 N ARG A 14 38.460 1.658 2.452 1.00 0.00 N ATOM 218 CA ARG A 14 37.293 1.795 1.539 1.00 0.00 C ATOM 219 C ARG A 14 36.007 1.558 2.328 1.00 0.00 C ATOM 220 O ARG A 14 35.004 2.215 2.124 1.00 0.00 O ATOM 221 CB ARG A 14 37.487 0.709 0.479 1.00 0.00 C ATOM 222 CG ARG A 14 38.825 0.921 -0.232 1.00 0.00 C ATOM 223 CD ARG A 14 39.631 -0.380 -0.206 1.00 0.00 C ATOM 224 NE ARG A 14 41.042 0.038 -0.438 1.00 0.00 N ATOM 225 CZ ARG A 14 41.926 -0.092 0.513 1.00 0.00 C ATOM 226 NH1 ARG A 14 42.109 -1.253 1.081 1.00 0.00 N ATOM 227 NH2 ARG A 14 42.627 0.940 0.896 1.00 0.00 N ATOM 0 H ARG A 14 38.917 0.746 2.436 1.00 0.00 H new ATOM 0 HA ARG A 14 37.222 2.784 1.087 1.00 0.00 H new ATOM 0 HB2 ARG A 14 37.463 -0.276 0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 14 36.671 0.741 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 14 38.655 1.235 -1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 14 39.386 1.718 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 14 39.523 -0.893 0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 14 39.292 -1.070 -0.978 1.00 0.00 H new ATOM 0 HE ARG A 14 41.317 0.426 -1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 14 41.561 -2.059 0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 14 42.800 -1.354 1.824 1.00 0.00 H new ATOM 0 HH21 ARG A 14 42.484 1.847 0.452 1.00 0.00 H new ATOM 0 HH22 ARG A 14 43.318 0.840 1.639 1.00 0.00 H new ATOM 241 N PHE A 15 36.031 0.624 3.238 1.00 0.00 N ATOM 242 CA PHE A 15 34.814 0.355 4.044 1.00 0.00 C ATOM 243 C PHE A 15 34.331 1.657 4.679 1.00 0.00 C ATOM 244 O PHE A 15 33.152 1.952 4.701 1.00 0.00 O ATOM 245 CB PHE A 15 35.244 -0.642 5.118 1.00 0.00 C ATOM 246 CG PHE A 15 34.036 -1.039 5.930 1.00 0.00 C ATOM 247 CD1 PHE A 15 32.902 -1.551 5.288 1.00 0.00 C ATOM 248 CD2 PHE A 15 34.044 -0.887 7.321 1.00 0.00 C ATOM 249 CE1 PHE A 15 31.777 -1.911 6.037 1.00 0.00 C ATOM 250 CE2 PHE A 15 32.919 -1.249 8.070 1.00 0.00 C ATOM 251 CZ PHE A 15 31.785 -1.760 7.428 1.00 0.00 C ATOM 0 H PHE A 15 36.838 0.039 3.456 1.00 0.00 H new ATOM 0 HA PHE A 15 33.996 -0.042 3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 15 35.694 -1.521 4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 15 36.002 -0.197 5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 15 32.896 -1.668 4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 15 34.918 -0.490 7.816 1.00 0.00 H new ATOM 0 HE1 PHE A 15 30.902 -2.306 5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 15 32.926 -1.134 9.144 1.00 0.00 H new ATOM 0 HZ PHE A 15 30.916 -2.038 8.006 1.00 0.00 H new ATOM 261 N GLU A 16 35.239 2.448 5.186 1.00 0.00 N ATOM 262 CA GLU A 16 34.833 3.738 5.806 1.00 0.00 C ATOM 263 C GLU A 16 33.918 4.493 4.845 1.00 0.00 C ATOM 264 O GLU A 16 32.936 5.088 5.243 1.00 0.00 O ATOM 265 CB GLU A 16 36.137 4.505 6.027 1.00 0.00 C ATOM 266 CG GLU A 16 36.858 3.941 7.254 1.00 0.00 C ATOM 267 CD GLU A 16 37.330 5.093 8.142 1.00 0.00 C ATOM 268 OE1 GLU A 16 37.994 5.978 7.627 1.00 0.00 O ATOM 269 OE2 GLU A 16 37.021 5.071 9.322 1.00 0.00 O ATOM 0 H GLU A 16 36.241 2.256 5.197 1.00 0.00 H new ATOM 0 HA GLU A 16 34.288 3.604 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.774 4.421 5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.928 5.565 6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.189 3.287 7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.709 3.335 6.943 1.00 0.00 H new ATOM 276 N GLN A 17 34.224 4.462 3.575 1.00 0.00 N ATOM 277 CA GLN A 17 33.356 5.169 2.591 1.00 0.00 C ATOM 278 C GLN A 17 31.966 4.533 2.593 1.00 0.00 C ATOM 279 O GLN A 17 30.959 5.212 2.609 1.00 0.00 O ATOM 280 CB GLN A 17 34.036 4.973 1.235 1.00 0.00 C ATOM 281 CG GLN A 17 34.921 6.182 0.927 1.00 0.00 C ATOM 282 CD GLN A 17 36.301 5.701 0.478 1.00 0.00 C ATOM 283 OE1 GLN A 17 36.590 5.663 -0.702 1.00 0.00 O ATOM 284 NE2 GLN A 17 37.172 5.328 1.375 1.00 0.00 N ATOM 0 H GLN A 17 35.032 3.981 3.179 1.00 0.00 H new ATOM 0 HA GLN A 17 33.234 6.227 2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.636 4.063 1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 17 33.285 4.850 0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 17 34.465 6.791 0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 17 35.014 6.813 1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.930 5.360 2.365 1.00 0.00 H new ATOM 0 HE22 GLN A 17 38.095 5.005 1.086 1.00 0.00 H new ATOM 293 N PHE A 18 31.906 3.228 2.588 1.00 0.00 N ATOM 294 CA PHE A 18 30.581 2.544 2.602 1.00 0.00 C ATOM 295 C PHE A 18 29.916 2.723 3.970 1.00 0.00 C ATOM 296 O PHE A 18 28.818 3.233 4.073 1.00 0.00 O ATOM 297 CB PHE A 18 30.891 1.070 2.341 1.00 0.00 C ATOM 298 CG PHE A 18 31.560 0.929 0.996 1.00 0.00 C ATOM 299 CD1 PHE A 18 30.793 0.961 -0.175 1.00 0.00 C ATOM 300 CD2 PHE A 18 32.948 0.767 0.919 1.00 0.00 C ATOM 301 CE1 PHE A 18 31.414 0.832 -1.422 1.00 0.00 C ATOM 302 CE2 PHE A 18 33.570 0.638 -0.328 1.00 0.00 C ATOM 303 CZ PHE A 18 32.803 0.671 -1.499 1.00 0.00 C ATOM 0 H PHE A 18 32.715 2.608 2.575 1.00 0.00 H new ATOM 0 HA PHE A 18 29.895 2.950 1.858 1.00 0.00 H new ATOM 0 HB2 PHE A 18 31.540 0.679 3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.972 0.484 2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 18 29.722 1.085 -0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 18 33.539 0.742 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 18 30.822 0.857 -2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 18 34.641 0.513 -0.387 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.283 0.572 -2.462 1.00 0.00 H new ATOM 313 N ARG A 19 30.575 2.311 5.022 1.00 0.00 N ATOM 314 CA ARG A 19 29.983 2.464 6.382 1.00 0.00 C ATOM 315 C ARG A 19 29.319 3.838 6.512 1.00 0.00 C ATOM 316 O ARG A 19 28.112 3.949 6.603 1.00 0.00 O ATOM 317 CB ARG A 19 31.166 2.345 7.344 1.00 0.00 C ATOM 318 CG ARG A 19 30.648 2.201 8.776 1.00 0.00 C ATOM 319 CD ARG A 19 31.710 1.511 9.635 1.00 0.00 C ATOM 320 NE ARG A 19 31.391 1.908 11.034 1.00 0.00 N ATOM 321 CZ ARG A 19 30.827 1.053 11.842 1.00 0.00 C ATOM 322 NH1 ARG A 19 30.084 0.094 11.362 1.00 0.00 N ATOM 323 NH2 ARG A 19 31.006 1.157 13.131 1.00 0.00 N ATOM 0 H ARG A 19 31.497 1.876 4.997 1.00 0.00 H new ATOM 0 HA ARG A 19 29.216 1.718 6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.778 1.483 7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.804 3.225 7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 19 30.412 3.182 9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 19 29.725 1.621 8.784 1.00 0.00 H new ATOM 0 HD2 ARG A 19 31.673 0.428 9.514 1.00 0.00 H new ATOM 0 HD3 ARG A 19 32.714 1.830 9.353 1.00 0.00 H new ATOM 0 HE ARG A 19 31.613 2.848 11.361 1.00 0.00 H new ATOM 0 HH11 ARG A 19 29.944 0.013 10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 19 29.643 -0.574 11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 19 31.587 1.907 13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 19 30.565 0.489 13.763 1.00 0.00 H new ATOM 337 N GLU A 20 30.097 4.887 6.513 1.00 0.00 N ATOM 338 CA GLU A 20 29.502 6.248 6.626 1.00 0.00 C ATOM 339 C GLU A 20 28.315 6.367 5.670 1.00 0.00 C ATOM 340 O GLU A 20 27.261 6.859 6.025 1.00 0.00 O ATOM 341 CB GLU A 20 30.620 7.208 6.220 1.00 0.00 C ATOM 342 CG GLU A 20 30.044 8.613 6.031 1.00 0.00 C ATOM 343 CD GLU A 20 31.086 9.506 5.354 1.00 0.00 C ATOM 344 OE1 GLU A 20 31.143 9.497 4.136 1.00 0.00 O ATOM 345 OE2 GLU A 20 31.810 10.183 6.066 1.00 0.00 O ATOM 0 H GLU A 20 31.114 4.860 6.441 1.00 0.00 H new ATOM 0 HA GLU A 20 29.134 6.464 7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 20 31.397 7.222 6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 20 31.088 6.868 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 20 29.139 8.568 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 20 29.761 9.034 6.996 1.00 0.00 H new ATOM 352 N ARG A 21 28.476 5.908 4.459 1.00 0.00 N ATOM 353 CA ARG A 21 27.357 5.981 3.480 1.00 0.00 C ATOM 354 C ARG A 21 26.147 5.218 4.024 1.00 0.00 C ATOM 355 O ARG A 21 25.018 5.645 3.890 1.00 0.00 O ATOM 356 CB ARG A 21 27.895 5.314 2.213 1.00 0.00 C ATOM 357 CG ARG A 21 26.954 5.603 1.043 1.00 0.00 C ATOM 358 CD ARG A 21 27.636 6.563 0.065 1.00 0.00 C ATOM 359 NE ARG A 21 26.988 7.882 0.308 1.00 0.00 N ATOM 360 CZ ARG A 21 27.686 8.980 0.205 1.00 0.00 C ATOM 361 NH1 ARG A 21 27.911 9.502 -0.970 1.00 0.00 N ATOM 362 NH2 ARG A 21 28.158 9.556 1.276 1.00 0.00 N ATOM 0 H ARG A 21 29.335 5.486 4.106 1.00 0.00 H new ATOM 0 HA ARG A 21 27.032 7.003 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 21 28.895 5.687 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 21 27.983 4.238 2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 21 26.692 4.675 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 21 26.025 6.039 1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 21 28.710 6.612 0.244 1.00 0.00 H new ATOM 0 HD3 ARG A 21 27.499 6.239 -0.967 1.00 0.00 H new ATOM 0 HE ARG A 21 25.999 7.927 0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 21 27.541 9.052 -1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 21 28.456 10.360 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 21 27.982 9.148 2.194 1.00 0.00 H new ATOM 0 HH22 ARG A 21 28.703 10.414 1.195 1.00 0.00 H new ATOM 376 N ASN A 22 26.378 4.094 4.649 1.00 0.00 N ATOM 377 CA ASN A 22 25.244 3.309 5.213 1.00 0.00 C ATOM 378 C ASN A 22 24.405 4.203 6.127 1.00 0.00 C ATOM 379 O ASN A 22 23.198 4.276 6.008 1.00 0.00 O ATOM 380 CB ASN A 22 25.898 2.183 6.015 1.00 0.00 C ATOM 381 CG ASN A 22 24.857 1.109 6.332 1.00 0.00 C ATOM 382 OD1 ASN A 22 24.453 0.955 7.467 1.00 0.00 O ATOM 383 ND2 ASN A 22 24.401 0.355 5.369 1.00 0.00 N ATOM 0 H ASN A 22 27.302 3.687 4.793 1.00 0.00 H new ATOM 0 HA ASN A 22 24.580 2.920 4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.722 1.750 5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 22 26.320 2.578 6.939 1.00 0.00 H new ATOM 0 HD21 ASN A 22 23.705 -0.363 5.570 1.00 0.00 H new ATOM 0 HD22 ASN A 22 24.740 0.484 4.416 1.00 0.00 H new ATOM 390 N GLU A 23 25.040 4.893 7.036 1.00 0.00 N ATOM 391 CA GLU A 23 24.281 5.791 7.950 1.00 0.00 C ATOM 392 C GLU A 23 23.453 6.780 7.128 1.00 0.00 C ATOM 393 O GLU A 23 22.299 7.030 7.414 1.00 0.00 O ATOM 394 CB GLU A 23 25.347 6.526 8.764 1.00 0.00 C ATOM 395 CG GLU A 23 24.718 7.741 9.449 1.00 0.00 C ATOM 396 CD GLU A 23 25.403 7.979 10.796 1.00 0.00 C ATOM 397 OE1 GLU A 23 26.409 8.668 10.813 1.00 0.00 O ATOM 398 OE2 GLU A 23 24.909 7.467 11.787 1.00 0.00 O ATOM 0 H GLU A 23 26.049 4.873 7.184 1.00 0.00 H new ATOM 0 HA GLU A 23 23.590 5.246 8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 23 25.776 5.857 9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 23 26.162 6.843 8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 23 24.821 8.622 8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 23 23.650 7.577 9.596 1.00 0.00 H new ATOM 405 N ALA A 24 24.035 7.338 6.101 1.00 0.00 N ATOM 406 CA ALA A 24 23.280 8.304 5.253 1.00 0.00 C ATOM 407 C ALA A 24 22.009 7.641 4.717 1.00 0.00 C ATOM 408 O ALA A 24 20.957 8.246 4.666 1.00 0.00 O ATOM 409 CB ALA A 24 24.230 8.653 4.107 1.00 0.00 C ATOM 0 H ALA A 24 24.999 7.167 5.813 1.00 0.00 H new ATOM 0 HA ALA A 24 22.971 9.191 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 24 23.746 9.362 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 24 25.139 9.098 4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 24 24.483 7.747 3.556 1.00 0.00 H new ATOM 415 N LEU A 25 22.098 6.399 4.324 1.00 0.00 N ATOM 416 CA LEU A 25 20.893 5.698 3.799 1.00 0.00 C ATOM 417 C LEU A 25 19.785 5.718 4.854 1.00 0.00 C ATOM 418 O LEU A 25 18.681 6.158 4.600 1.00 0.00 O ATOM 419 CB LEU A 25 21.352 4.264 3.526 1.00 0.00 C ATOM 420 CG LEU A 25 20.131 3.354 3.382 1.00 0.00 C ATOM 421 CD1 LEU A 25 20.416 2.277 2.334 1.00 0.00 C ATOM 422 CD2 LEU A 25 19.833 2.687 4.727 1.00 0.00 C ATOM 0 H LEU A 25 22.952 5.841 4.344 1.00 0.00 H new ATOM 0 HA LEU A 25 20.493 6.169 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 25 21.953 4.230 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 25 21.986 3.913 4.340 1.00 0.00 H new ATOM 0 HG LEU A 25 19.272 3.947 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.545 1.629 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.631 2.750 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.275 1.684 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.963 2.038 4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.694 2.095 5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.630 3.453 5.476 1.00 0.00 H new ATOM 434 N GLU A 26 20.073 5.252 6.039 1.00 0.00 N ATOM 435 CA GLU A 26 19.034 5.254 7.108 1.00 0.00 C ATOM 436 C GLU A 26 18.339 6.617 7.149 1.00 0.00 C ATOM 437 O GLU A 26 17.136 6.717 7.010 1.00 0.00 O ATOM 438 CB GLU A 26 19.799 5.002 8.408 1.00 0.00 C ATOM 439 CG GLU A 26 18.830 4.507 9.483 1.00 0.00 C ATOM 440 CD GLU A 26 18.074 5.697 10.077 1.00 0.00 C ATOM 441 OE1 GLU A 26 18.725 6.582 10.607 1.00 0.00 O ATOM 442 OE2 GLU A 26 16.857 5.703 9.991 1.00 0.00 O ATOM 0 H GLU A 26 20.979 4.871 6.312 1.00 0.00 H new ATOM 0 HA GLU A 26 18.263 4.502 6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.584 4.264 8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.288 5.919 8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 26 18.127 3.794 9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 26 19.377 3.982 10.267 1.00 0.00 H new ATOM 449 N LEU A 27 19.092 7.668 7.330 1.00 0.00 N ATOM 450 CA LEU A 27 18.479 9.026 7.371 1.00 0.00 C ATOM 451 C LEU A 27 17.952 9.400 5.983 1.00 0.00 C ATOM 452 O LEU A 27 16.936 10.052 5.848 1.00 0.00 O ATOM 453 CB LEU A 27 19.617 9.961 7.785 1.00 0.00 C ATOM 454 CG LEU A 27 19.156 11.415 7.662 1.00 0.00 C ATOM 455 CD1 LEU A 27 19.900 12.274 8.685 1.00 0.00 C ATOM 456 CD2 LEU A 27 19.458 11.927 6.252 1.00 0.00 C ATOM 0 H LEU A 27 20.105 7.645 7.451 1.00 0.00 H new ATOM 0 HA LEU A 27 17.637 9.084 8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 27 19.920 9.750 8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.489 9.791 7.154 1.00 0.00 H new ATOM 0 HG LEU A 27 18.084 11.474 7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 27 19.572 13.310 8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 27 19.687 11.909 9.690 1.00 0.00 H new ATOM 0 HD13 LEU A 27 20.972 12.216 8.498 1.00 0.00 H new ATOM 0 HD21 LEU A 27 19.130 12.963 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 27 20.530 11.869 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.929 11.315 5.522 1.00 0.00 H new ATOM 468 N LYS A 28 18.636 8.986 4.951 1.00 0.00 N ATOM 469 CA LYS A 28 18.175 9.311 3.571 1.00 0.00 C ATOM 470 C LYS A 28 16.815 8.660 3.306 1.00 0.00 C ATOM 471 O LYS A 28 15.953 9.235 2.673 1.00 0.00 O ATOM 472 CB LYS A 28 19.243 8.722 2.647 1.00 0.00 C ATOM 473 CG LYS A 28 18.769 8.803 1.194 1.00 0.00 C ATOM 474 CD LYS A 28 18.220 10.203 0.911 1.00 0.00 C ATOM 475 CE LYS A 28 18.391 10.530 -0.575 1.00 0.00 C ATOM 476 NZ LYS A 28 18.843 11.949 -0.606 1.00 0.00 N ATOM 0 H LYS A 28 19.494 8.437 5.004 1.00 0.00 H new ATOM 0 HA LYS A 28 18.051 10.383 3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 28 20.180 9.266 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.440 7.685 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.595 8.582 0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.998 8.055 1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.167 10.254 1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.745 10.940 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.123 9.872 -1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.455 10.402 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.982 12.247 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.123 12.553 -0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.740 12.039 -0.087 1.00 0.00 H new ATOM 490 N ASP A 29 16.616 7.465 3.792 1.00 0.00 N ATOM 491 CA ASP A 29 15.311 6.780 3.573 1.00 0.00 C ATOM 492 C ASP A 29 14.239 7.396 4.476 1.00 0.00 C ATOM 493 O ASP A 29 13.178 7.779 4.025 1.00 0.00 O ATOM 494 CB ASP A 29 15.560 5.320 3.954 1.00 0.00 C ATOM 495 CG ASP A 29 14.996 4.405 2.866 1.00 0.00 C ATOM 496 OD1 ASP A 29 13.797 4.449 2.645 1.00 0.00 O ATOM 497 OD2 ASP A 29 15.773 3.675 2.272 1.00 0.00 O ATOM 0 H ASP A 29 17.300 6.934 4.331 1.00 0.00 H new ATOM 0 HA ASP A 29 14.958 6.876 2.546 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.628 5.142 4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.089 5.098 4.911 1.00 0.00 H new ATOM 502 N ALA A 30 14.511 7.497 5.749 1.00 0.00 N ATOM 503 CA ALA A 30 13.509 8.092 6.679 1.00 0.00 C ATOM 504 C ALA A 30 13.038 9.446 6.144 1.00 0.00 C ATOM 505 O ALA A 30 11.978 9.927 6.490 1.00 0.00 O ATOM 506 CB ALA A 30 14.251 8.265 8.004 1.00 0.00 C ATOM 0 H ALA A 30 15.382 7.194 6.185 1.00 0.00 H new ATOM 0 HA ALA A 30 12.623 7.467 6.790 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.578 8.700 8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.599 7.294 8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 30 15.106 8.925 7.859 1.00 0.00 H new ATOM 512 N GLN A 31 13.821 10.064 5.301 1.00 0.00 N ATOM 513 CA GLN A 31 13.419 11.386 4.742 1.00 0.00 C ATOM 514 C GLN A 31 12.727 11.197 3.389 1.00 0.00 C ATOM 515 O GLN A 31 13.117 10.367 2.593 1.00 0.00 O ATOM 516 CB GLN A 31 14.728 12.158 4.571 1.00 0.00 C ATOM 517 CG GLN A 31 15.027 12.948 5.846 1.00 0.00 C ATOM 518 CD GLN A 31 14.022 14.093 5.986 1.00 0.00 C ATOM 519 OE1 GLN A 31 13.368 14.223 7.002 1.00 0.00 O ATOM 520 NE2 GLN A 31 13.869 14.935 5.001 1.00 0.00 N ATOM 0 H GLN A 31 14.721 9.711 4.976 1.00 0.00 H new ATOM 0 HA GLN A 31 12.717 11.913 5.388 1.00 0.00 H new ATOM 0 HB2 GLN A 31 15.544 11.468 4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.654 12.835 3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.970 12.292 6.715 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.042 13.343 5.812 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.417 14.827 4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.201 15.701 5.084 1.00 0.00 H new ATOM 606 N TYR B 4 37.881 -9.083 5.544 1.00 0.00 N ATOM 607 CA TYR B 4 36.901 -8.607 4.526 1.00 0.00 C ATOM 608 C TYR B 4 35.786 -7.803 5.198 1.00 0.00 C ATOM 609 O TYR B 4 35.440 -8.032 6.340 1.00 0.00 O ATOM 610 CB TYR B 4 36.333 -9.879 3.896 1.00 0.00 C ATOM 611 CG TYR B 4 36.601 -9.871 2.410 1.00 0.00 C ATOM 612 CD1 TYR B 4 37.879 -10.180 1.928 1.00 0.00 C ATOM 613 CD2 TYR B 4 35.572 -9.557 1.515 1.00 0.00 C ATOM 614 CE1 TYR B 4 38.126 -10.175 0.550 1.00 0.00 C ATOM 615 CE2 TYR B 4 35.819 -9.552 0.138 1.00 0.00 C ATOM 616 CZ TYR B 4 37.097 -9.861 -0.345 1.00 0.00 C ATOM 617 OH TYR B 4 37.341 -9.856 -1.703 1.00 0.00 O ATOM 0 HA TYR B 4 37.363 -7.954 3.785 1.00 0.00 H new ATOM 0 HB2 TYR B 4 36.788 -10.758 4.353 1.00 0.00 H new ATOM 0 HB3 TYR B 4 35.261 -9.942 4.082 1.00 0.00 H new ATOM 0 HD1 TYR B 4 38.673 -10.422 2.619 1.00 0.00 H new ATOM 0 HD2 TYR B 4 34.587 -9.318 1.888 1.00 0.00 H new ATOM 0 HE1 TYR B 4 39.111 -10.414 0.177 1.00 0.00 H new ATOM 0 HE2 TYR B 4 35.025 -9.310 -0.552 1.00 0.00 H new ATOM 0 HH TYR B 4 36.520 -9.619 -2.182 1.00 0.00 H new ATOM 627 N PHE B 5 35.217 -6.863 4.494 1.00 0.00 N ATOM 628 CA PHE B 5 34.121 -6.046 5.086 1.00 0.00 C ATOM 629 C PHE B 5 32.845 -6.207 4.257 1.00 0.00 C ATOM 630 O PHE B 5 32.890 -6.562 3.096 1.00 0.00 O ATOM 631 CB PHE B 5 34.626 -4.604 5.025 1.00 0.00 C ATOM 632 CG PHE B 5 35.707 -4.404 6.059 1.00 0.00 C ATOM 633 CD1 PHE B 5 35.365 -4.046 7.369 1.00 0.00 C ATOM 634 CD2 PHE B 5 37.050 -4.578 5.708 1.00 0.00 C ATOM 635 CE1 PHE B 5 36.369 -3.860 8.327 1.00 0.00 C ATOM 636 CE2 PHE B 5 38.054 -4.392 6.667 1.00 0.00 C ATOM 637 CZ PHE B 5 37.713 -4.033 7.976 1.00 0.00 C ATOM 0 H PHE B 5 35.464 -6.626 3.533 1.00 0.00 H new ATOM 0 HA PHE B 5 33.879 -6.347 6.105 1.00 0.00 H new ATOM 0 HB2 PHE B 5 35.015 -4.386 4.030 1.00 0.00 H new ATOM 0 HB3 PHE B 5 33.804 -3.912 5.205 1.00 0.00 H new ATOM 0 HD1 PHE B 5 34.328 -3.914 7.640 1.00 0.00 H new ATOM 0 HD2 PHE B 5 37.313 -4.856 4.698 1.00 0.00 H new ATOM 0 HE1 PHE B 5 36.106 -3.583 9.337 1.00 0.00 H new ATOM 0 HE2 PHE B 5 39.091 -4.526 6.396 1.00 0.00 H new ATOM 0 HZ PHE B 5 38.487 -3.889 8.715 1.00 0.00 H new ATOM 647 N THR B 6 31.706 -5.953 4.840 1.00 0.00 N ATOM 648 CA THR B 6 30.433 -6.098 4.078 1.00 0.00 C ATOM 649 C THR B 6 29.454 -4.985 4.460 1.00 0.00 C ATOM 650 O THR B 6 29.679 -4.238 5.391 1.00 0.00 O ATOM 651 CB THR B 6 29.881 -7.463 4.488 1.00 0.00 C ATOM 652 OG1 THR B 6 30.666 -8.488 3.893 1.00 0.00 O ATOM 653 CG2 THR B 6 28.430 -7.591 4.021 1.00 0.00 C ATOM 0 H THR B 6 31.601 -5.652 5.809 1.00 0.00 H new ATOM 0 HA THR B 6 30.587 -6.026 3.001 1.00 0.00 H new ATOM 0 HB THR B 6 29.920 -7.560 5.573 1.00 0.00 H new ATOM 0 HG1 THR B 6 30.314 -9.364 4.156 1.00 0.00 H new ATOM 0 HG21 THR B 6 28.038 -8.565 4.314 1.00 0.00 H new ATOM 0 HG22 THR B 6 27.830 -6.805 4.479 1.00 0.00 H new ATOM 0 HG23 THR B 6 28.387 -7.494 2.936 1.00 0.00 H new ATOM 661 N LEU B 7 28.366 -4.872 3.748 1.00 0.00 N ATOM 662 CA LEU B 7 27.370 -3.809 4.068 1.00 0.00 C ATOM 663 C LEU B 7 25.974 -4.241 3.613 1.00 0.00 C ATOM 664 O LEU B 7 25.824 -5.027 2.699 1.00 0.00 O ATOM 665 CB LEU B 7 27.836 -2.582 3.283 1.00 0.00 C ATOM 666 CG LEU B 7 27.365 -1.311 3.993 1.00 0.00 C ATOM 667 CD1 LEU B 7 28.511 -0.737 4.828 1.00 0.00 C ATOM 668 CD2 LEU B 7 26.927 -0.278 2.952 1.00 0.00 C ATOM 0 H LEU B 7 28.123 -5.470 2.958 1.00 0.00 H new ATOM 0 HA LEU B 7 27.307 -3.608 5.137 1.00 0.00 H new ATOM 0 HB2 LEU B 7 28.923 -2.582 3.199 1.00 0.00 H new ATOM 0 HB3 LEU B 7 27.438 -2.613 2.269 1.00 0.00 H new ATOM 0 HG LEU B 7 26.525 -1.550 4.645 1.00 0.00 H new ATOM 0 HD11 LEU B 7 28.175 0.168 5.333 1.00 0.00 H new ATOM 0 HD12 LEU B 7 28.824 -1.472 5.570 1.00 0.00 H new ATOM 0 HD13 LEU B 7 29.352 -0.498 4.177 1.00 0.00 H new ATOM 0 HD21 LEU B 7 26.591 0.628 3.457 1.00 0.00 H new ATOM 0 HD22 LEU B 7 27.767 -0.040 2.300 1.00 0.00 H new ATOM 0 HD23 LEU B 7 26.110 -0.685 2.357 1.00 0.00 H new ATOM 680 N GLN B 8 24.950 -3.733 4.243 1.00 0.00 N ATOM 681 CA GLN B 8 23.565 -4.117 3.844 1.00 0.00 C ATOM 682 C GLN B 8 22.738 -2.866 3.536 1.00 0.00 C ATOM 683 O GLN B 8 22.731 -1.914 4.291 1.00 0.00 O ATOM 684 CB GLN B 8 22.993 -4.855 5.056 1.00 0.00 C ATOM 685 CG GLN B 8 24.028 -5.852 5.581 1.00 0.00 C ATOM 686 CD GLN B 8 23.316 -7.102 6.102 1.00 0.00 C ATOM 687 OE1 GLN B 8 22.748 -7.088 7.176 1.00 0.00 O ATOM 688 NE2 GLN B 8 23.322 -8.190 5.382 1.00 0.00 N ATOM 0 H GLN B 8 25.012 -3.070 5.015 1.00 0.00 H new ATOM 0 HA GLN B 8 23.550 -4.736 2.947 1.00 0.00 H new ATOM 0 HB2 GLN B 8 22.729 -4.143 5.838 1.00 0.00 H new ATOM 0 HB3 GLN B 8 22.077 -5.377 4.778 1.00 0.00 H new ATOM 0 HG2 GLN B 8 24.724 -6.122 4.787 1.00 0.00 H new ATOM 0 HG3 GLN B 8 24.615 -5.396 6.378 1.00 0.00 H new ATOM 0 HE21 GLN B 8 23.799 -8.202 4.480 1.00 0.00 H new ATOM 0 HE22 GLN B 8 22.850 -9.028 5.721 1.00 0.00 H new ATOM 697 N ILE B 9 22.041 -2.861 2.433 1.00 0.00 N ATOM 698 CA ILE B 9 21.216 -1.670 2.079 1.00 0.00 C ATOM 699 C ILE B 9 19.750 -2.075 1.899 1.00 0.00 C ATOM 700 O ILE B 9 19.445 -3.197 1.544 1.00 0.00 O ATOM 701 CB ILE B 9 21.798 -1.164 0.760 1.00 0.00 C ATOM 702 CG1 ILE B 9 23.286 -0.859 0.945 1.00 0.00 C ATOM 703 CG2 ILE B 9 21.067 0.111 0.334 1.00 0.00 C ATOM 704 CD1 ILE B 9 24.119 -1.938 0.251 1.00 0.00 C ATOM 0 H ILE B 9 22.007 -3.629 1.762 1.00 0.00 H new ATOM 0 HA ILE B 9 21.240 -0.906 2.856 1.00 0.00 H new ATOM 0 HB ILE B 9 21.674 -1.927 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE B 9 23.522 0.121 0.529 1.00 0.00 H new ATOM 0 HG13 ILE B 9 23.531 -0.822 2.006 1.00 0.00 H new ATOM 0 HG21 ILE B 9 21.483 0.472 -0.607 1.00 0.00 H new ATOM 0 HG22 ILE B 9 20.006 -0.104 0.204 1.00 0.00 H new ATOM 0 HG23 ILE B 9 21.191 0.875 1.102 1.00 0.00 H new ATOM 0 HD11 ILE B 9 25.179 -1.720 0.383 1.00 0.00 H new ATOM 0 HD12 ILE B 9 23.891 -2.910 0.687 1.00 0.00 H new ATOM 0 HD13 ILE B 9 23.881 -1.953 -0.813 1.00 0.00 H new ATOM 716 N ARG B 10 18.841 -1.171 2.141 1.00 0.00 N ATOM 717 CA ARG B 10 17.396 -1.504 1.984 1.00 0.00 C ATOM 718 C ARG B 10 16.711 -0.481 1.075 1.00 0.00 C ATOM 719 O ARG B 10 15.704 0.100 1.427 1.00 0.00 O ATOM 720 CB ARG B 10 16.819 -1.435 3.398 1.00 0.00 C ATOM 721 CG ARG B 10 16.921 0.000 3.920 1.00 0.00 C ATOM 722 CD ARG B 10 15.642 0.361 4.679 1.00 0.00 C ATOM 723 NE ARG B 10 16.112 0.948 5.964 1.00 0.00 N ATOM 724 CZ ARG B 10 15.788 0.384 7.096 1.00 0.00 C ATOM 725 NH1 ARG B 10 14.652 0.676 7.669 1.00 0.00 N ATOM 726 NH2 ARG B 10 16.601 -0.470 7.656 1.00 0.00 N ATOM 0 H ARG B 10 19.036 -0.216 2.441 1.00 0.00 H new ATOM 0 HA ARG B 10 17.246 -2.483 1.528 1.00 0.00 H new ATOM 0 HB2 ARG B 10 15.778 -1.759 3.394 1.00 0.00 H new ATOM 0 HB3 ARG B 10 17.361 -2.113 4.057 1.00 0.00 H new ATOM 0 HG2 ARG B 10 17.786 0.099 4.576 1.00 0.00 H new ATOM 0 HG3 ARG B 10 17.071 0.690 3.090 1.00 0.00 H new ATOM 0 HD2 ARG B 10 15.037 1.073 4.117 1.00 0.00 H new ATOM 0 HD3 ARG B 10 15.022 -0.519 4.850 1.00 0.00 H new ATOM 0 HE ARG B 10 16.687 1.791 5.960 1.00 0.00 H new ATOM 0 HH11 ARG B 10 14.018 1.345 7.232 1.00 0.00 H new ATOM 0 HH12 ARG B 10 14.399 0.235 8.553 1.00 0.00 H new ATOM 0 HH21 ARG B 10 17.489 -0.697 7.209 1.00 0.00 H new ATOM 0 HH22 ARG B 10 16.348 -0.911 8.540 1.00 0.00 H new ATOM 740 N GLY B 11 17.250 -0.256 -0.093 1.00 0.00 N ATOM 741 CA GLY B 11 16.628 0.729 -1.023 1.00 0.00 C ATOM 742 C GLY B 11 17.428 0.777 -2.326 1.00 0.00 C ATOM 743 O GLY B 11 18.626 0.576 -2.338 1.00 0.00 O ATOM 0 H GLY B 11 18.093 -0.711 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY B 11 15.595 0.449 -1.228 1.00 0.00 H new ATOM 0 HA3 GLY B 11 16.605 1.716 -0.562 1.00 0.00 H new ATOM 747 N ARG B 12 16.775 1.042 -3.424 1.00 0.00 N ATOM 748 CA ARG B 12 17.501 1.103 -4.725 1.00 0.00 C ATOM 749 C ARG B 12 18.129 2.485 -4.916 1.00 0.00 C ATOM 750 O ARG B 12 19.139 2.633 -5.574 1.00 0.00 O ATOM 751 CB ARG B 12 16.433 0.846 -5.788 1.00 0.00 C ATOM 752 CG ARG B 12 17.103 0.365 -7.077 1.00 0.00 C ATOM 753 CD ARG B 12 16.363 -0.863 -7.611 1.00 0.00 C ATOM 754 NE ARG B 12 16.546 -0.808 -9.087 1.00 0.00 N ATOM 755 CZ ARG B 12 15.864 -1.610 -9.859 1.00 0.00 C ATOM 756 NH1 ARG B 12 14.564 -1.513 -9.914 1.00 0.00 N ATOM 757 NH2 ARG B 12 16.483 -2.507 -10.577 1.00 0.00 N ATOM 0 H ARG B 12 15.772 1.219 -3.477 1.00 0.00 H new ATOM 0 HA ARG B 12 18.312 0.377 -4.780 1.00 0.00 H new ATOM 0 HB2 ARG B 12 15.724 0.098 -5.433 1.00 0.00 H new ATOM 0 HB3 ARG B 12 15.867 1.758 -5.978 1.00 0.00 H new ATOM 0 HG2 ARG B 12 17.094 1.160 -7.822 1.00 0.00 H new ATOM 0 HG3 ARG B 12 18.147 0.119 -6.886 1.00 0.00 H new ATOM 0 HD2 ARG B 12 16.774 -1.783 -7.196 1.00 0.00 H new ATOM 0 HD3 ARG B 12 15.307 -0.836 -7.342 1.00 0.00 H new ATOM 0 HE ARG B 12 17.204 -0.144 -9.495 1.00 0.00 H new ATOM 0 HH11 ARG B 12 14.081 -0.811 -9.354 1.00 0.00 H new ATOM 0 HH12 ARG B 12 14.031 -2.139 -10.517 1.00 0.00 H new ATOM 0 HH21 ARG B 12 17.499 -2.581 -10.535 1.00 0.00 H new ATOM 0 HH22 ARG B 12 15.950 -3.134 -11.180 1.00 0.00 H new ATOM 771 N GLU B 13 17.541 3.500 -4.343 1.00 0.00 N ATOM 772 CA GLU B 13 18.109 4.870 -4.491 1.00 0.00 C ATOM 773 C GLU B 13 19.389 4.996 -3.663 1.00 0.00 C ATOM 774 O GLU B 13 20.338 5.642 -4.062 1.00 0.00 O ATOM 775 CB GLU B 13 17.027 5.810 -3.959 1.00 0.00 C ATOM 776 CG GLU B 13 16.066 6.174 -5.093 1.00 0.00 C ATOM 777 CD GLU B 13 15.081 7.239 -4.607 1.00 0.00 C ATOM 778 OE1 GLU B 13 14.471 7.026 -3.572 1.00 0.00 O ATOM 779 OE2 GLU B 13 14.953 8.249 -5.279 1.00 0.00 O ATOM 0 H GLU B 13 16.693 3.440 -3.780 1.00 0.00 H new ATOM 0 HA GLU B 13 18.372 5.102 -5.523 1.00 0.00 H new ATOM 0 HB2 GLU B 13 16.482 5.331 -3.145 1.00 0.00 H new ATOM 0 HB3 GLU B 13 17.482 6.712 -3.550 1.00 0.00 H new ATOM 0 HG2 GLU B 13 16.625 6.546 -5.952 1.00 0.00 H new ATOM 0 HG3 GLU B 13 15.525 5.287 -5.424 1.00 0.00 H new ATOM 786 N ARG B 14 19.427 4.375 -2.516 1.00 0.00 N ATOM 787 CA ARG B 14 20.650 4.452 -1.669 1.00 0.00 C ATOM 788 C ARG B 14 21.686 3.445 -2.170 1.00 0.00 C ATOM 789 O ARG B 14 22.869 3.717 -2.194 1.00 0.00 O ATOM 790 CB ARG B 14 20.184 4.090 -0.259 1.00 0.00 C ATOM 791 CG ARG B 14 19.093 5.067 0.184 1.00 0.00 C ATOM 792 CD ARG B 14 17.871 4.283 0.664 1.00 0.00 C ATOM 793 NE ARG B 14 16.737 5.244 0.573 1.00 0.00 N ATOM 794 CZ ARG B 14 15.784 5.048 -0.297 1.00 0.00 C ATOM 795 NH1 ARG B 14 15.140 3.913 -0.315 1.00 0.00 N ATOM 796 NH2 ARG B 14 15.475 5.988 -1.149 1.00 0.00 N ATOM 0 H ARG B 14 18.665 3.818 -2.129 1.00 0.00 H new ATOM 0 HA ARG B 14 21.116 5.437 -1.696 1.00 0.00 H new ATOM 0 HB2 ARG B 14 19.802 3.069 -0.242 1.00 0.00 H new ATOM 0 HB3 ARG B 14 21.024 4.128 0.434 1.00 0.00 H new ATOM 0 HG2 ARG B 14 19.466 5.706 0.984 1.00 0.00 H new ATOM 0 HG3 ARG B 14 18.817 5.720 -0.644 1.00 0.00 H new ATOM 0 HD2 ARG B 14 17.696 3.405 0.042 1.00 0.00 H new ATOM 0 HD3 ARG B 14 18.006 3.928 1.686 1.00 0.00 H new ATOM 0 HE ARG B 14 16.705 6.055 1.190 1.00 0.00 H new ATOM 0 HH11 ARG B 14 15.381 3.179 0.351 1.00 0.00 H new ATOM 0 HH12 ARG B 14 14.395 3.760 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG B 14 15.978 6.875 -1.134 1.00 0.00 H new ATOM 0 HH22 ARG B 14 14.730 5.835 -1.829 1.00 0.00 H new ATOM 810 N PHE B 15 21.249 2.285 -2.580 1.00 0.00 N ATOM 811 CA PHE B 15 22.214 1.271 -3.088 1.00 0.00 C ATOM 812 C PHE B 15 23.075 1.891 -4.189 1.00 0.00 C ATOM 813 O PHE B 15 24.272 1.692 -4.241 1.00 0.00 O ATOM 814 CB PHE B 15 21.353 0.141 -3.653 1.00 0.00 C ATOM 815 CG PHE B 15 22.248 -0.984 -4.111 1.00 0.00 C ATOM 816 CD1 PHE B 15 23.172 -1.548 -3.223 1.00 0.00 C ATOM 817 CD2 PHE B 15 22.158 -1.461 -5.424 1.00 0.00 C ATOM 818 CE1 PHE B 15 24.005 -2.589 -3.647 1.00 0.00 C ATOM 819 CE2 PHE B 15 22.991 -2.504 -5.848 1.00 0.00 C ATOM 820 CZ PHE B 15 23.914 -3.068 -4.960 1.00 0.00 C ATOM 0 H PHE B 15 20.270 1.997 -2.585 1.00 0.00 H new ATOM 0 HA PHE B 15 22.887 0.910 -2.310 1.00 0.00 H new ATOM 0 HB2 PHE B 15 20.658 -0.217 -2.893 1.00 0.00 H new ATOM 0 HB3 PHE B 15 20.753 0.507 -4.486 1.00 0.00 H new ATOM 0 HD1 PHE B 15 23.242 -1.179 -2.210 1.00 0.00 H new ATOM 0 HD2 PHE B 15 21.447 -1.025 -6.110 1.00 0.00 H new ATOM 0 HE1 PHE B 15 24.718 -3.023 -2.962 1.00 0.00 H new ATOM 0 HE2 PHE B 15 22.921 -2.873 -6.861 1.00 0.00 H new ATOM 0 HZ PHE B 15 24.556 -3.872 -5.287 1.00 0.00 H new ATOM 830 N GLU B 16 22.475 2.652 -5.064 1.00 0.00 N ATOM 831 CA GLU B 16 23.264 3.293 -6.152 1.00 0.00 C ATOM 832 C GLU B 16 24.485 3.989 -5.551 1.00 0.00 C ATOM 833 O GLU B 16 25.574 3.929 -6.087 1.00 0.00 O ATOM 834 CB GLU B 16 22.315 4.310 -6.787 1.00 0.00 C ATOM 835 CG GLU B 16 21.320 3.581 -7.694 1.00 0.00 C ATOM 836 CD GLU B 16 21.214 4.316 -9.031 1.00 0.00 C ATOM 837 OE1 GLU B 16 20.967 5.510 -9.011 1.00 0.00 O ATOM 838 OE2 GLU B 16 21.380 3.671 -10.054 1.00 0.00 O ATOM 0 H GLU B 16 21.476 2.856 -5.072 1.00 0.00 H new ATOM 0 HA GLU B 16 23.629 2.577 -6.888 1.00 0.00 H new ATOM 0 HB2 GLU B 16 21.782 4.860 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU B 16 22.881 5.041 -7.364 1.00 0.00 H new ATOM 0 HG2 GLU B 16 21.645 2.554 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU B 16 20.342 3.533 -7.215 1.00 0.00 H new ATOM 845 N GLN B 17 24.315 4.640 -4.431 1.00 0.00 N ATOM 846 CA GLN B 17 25.471 5.326 -3.788 1.00 0.00 C ATOM 847 C GLN B 17 26.526 4.289 -3.399 1.00 0.00 C ATOM 848 O GLN B 17 27.705 4.470 -3.630 1.00 0.00 O ATOM 849 CB GLN B 17 24.895 6.001 -2.542 1.00 0.00 C ATOM 850 CG GLN B 17 24.535 7.453 -2.865 1.00 0.00 C ATOM 851 CD GLN B 17 23.125 7.755 -2.355 1.00 0.00 C ATOM 852 OE1 GLN B 17 22.959 8.338 -1.302 1.00 0.00 O ATOM 853 NE2 GLN B 17 22.094 7.379 -3.061 1.00 0.00 N ATOM 0 H GLN B 17 23.428 4.726 -3.935 1.00 0.00 H new ATOM 0 HA GLN B 17 25.950 6.048 -4.449 1.00 0.00 H new ATOM 0 HB2 GLN B 17 24.010 5.464 -2.201 1.00 0.00 H new ATOM 0 HB3 GLN B 17 25.621 5.968 -1.730 1.00 0.00 H new ATOM 0 HG2 GLN B 17 25.253 8.129 -2.401 1.00 0.00 H new ATOM 0 HG3 GLN B 17 24.588 7.621 -3.941 1.00 0.00 H new ATOM 0 HE21 GLN B 17 22.232 6.890 -3.945 1.00 0.00 H new ATOM 0 HE22 GLN B 17 21.150 7.575 -2.729 1.00 0.00 H new ATOM 862 N PHE B 18 26.107 3.197 -2.817 1.00 0.00 N ATOM 863 CA PHE B 18 27.082 2.142 -2.422 1.00 0.00 C ATOM 864 C PHE B 18 27.627 1.446 -3.671 1.00 0.00 C ATOM 865 O PHE B 18 28.819 1.399 -3.897 1.00 0.00 O ATOM 866 CB PHE B 18 26.284 1.158 -1.566 1.00 0.00 C ATOM 867 CG PHE B 18 25.732 1.869 -0.354 1.00 0.00 C ATOM 868 CD1 PHE B 18 26.556 2.110 0.752 1.00 0.00 C ATOM 869 CD2 PHE B 18 24.396 2.286 -0.335 1.00 0.00 C ATOM 870 CE1 PHE B 18 26.043 2.767 1.877 1.00 0.00 C ATOM 871 CE2 PHE B 18 23.883 2.943 0.789 1.00 0.00 C ATOM 872 CZ PHE B 18 24.706 3.183 1.895 1.00 0.00 C ATOM 0 H PHE B 18 25.132 2.991 -2.599 1.00 0.00 H new ATOM 0 HA PHE B 18 27.936 2.548 -1.879 1.00 0.00 H new ATOM 0 HB2 PHE B 18 25.470 0.730 -2.151 1.00 0.00 H new ATOM 0 HB3 PHE B 18 26.922 0.331 -1.255 1.00 0.00 H new ATOM 0 HD1 PHE B 18 27.587 1.789 0.737 1.00 0.00 H new ATOM 0 HD2 PHE B 18 23.761 2.101 -1.188 1.00 0.00 H new ATOM 0 HE1 PHE B 18 26.678 2.953 2.730 1.00 0.00 H new ATOM 0 HE2 PHE B 18 22.852 3.265 0.803 1.00 0.00 H new ATOM 0 HZ PHE B 18 24.310 3.689 2.763 1.00 0.00 H new ATOM 882 N ARG B 19 26.759 0.908 -4.488 1.00 0.00 N ATOM 883 CA ARG B 19 27.227 0.221 -5.726 1.00 0.00 C ATOM 884 C ARG B 19 28.328 1.048 -6.392 1.00 0.00 C ATOM 885 O ARG B 19 29.477 0.653 -6.432 1.00 0.00 O ATOM 886 CB ARG B 19 25.995 0.140 -6.627 1.00 0.00 C ATOM 887 CG ARG B 19 26.286 -0.789 -7.808 1.00 0.00 C ATOM 888 CD ARG B 19 24.970 -1.342 -8.360 1.00 0.00 C ATOM 889 NE ARG B 19 25.278 -1.741 -9.761 1.00 0.00 N ATOM 890 CZ ARG B 19 25.414 -3.003 -10.066 1.00 0.00 C ATOM 891 NH1 ARG B 19 25.799 -3.856 -9.157 1.00 0.00 N ATOM 892 NH2 ARG B 19 25.164 -3.411 -11.280 1.00 0.00 N ATOM 0 H ARG B 19 25.748 0.915 -4.351 1.00 0.00 H new ATOM 0 HA ARG B 19 27.643 -0.766 -5.523 1.00 0.00 H new ATOM 0 HB2 ARG B 19 25.141 -0.231 -6.061 1.00 0.00 H new ATOM 0 HB3 ARG B 19 25.730 1.133 -6.989 1.00 0.00 H new ATOM 0 HG2 ARG B 19 26.820 -0.246 -8.588 1.00 0.00 H new ATOM 0 HG3 ARG B 19 26.932 -1.608 -7.490 1.00 0.00 H new ATOM 0 HD2 ARG B 19 24.623 -2.193 -7.774 1.00 0.00 H new ATOM 0 HD3 ARG B 19 24.181 -0.590 -8.328 1.00 0.00 H new ATOM 0 HE ARG B 19 25.383 -1.028 -10.483 1.00 0.00 H new ATOM 0 HH11 ARG B 19 25.994 -3.537 -8.208 1.00 0.00 H new ATOM 0 HH12 ARG B 19 25.905 -4.842 -9.395 1.00 0.00 H new ATOM 0 HH21 ARG B 19 24.862 -2.744 -11.990 1.00 0.00 H new ATOM 0 HH22 ARG B 19 25.270 -4.397 -11.519 1.00 0.00 H new ATOM 906 N GLU B 20 27.990 2.199 -6.908 1.00 0.00 N ATOM 907 CA GLU B 20 29.025 3.049 -7.559 1.00 0.00 C ATOM 908 C GLU B 20 30.261 3.126 -6.661 1.00 0.00 C ATOM 909 O GLU B 20 31.381 2.996 -7.114 1.00 0.00 O ATOM 910 CB GLU B 20 28.377 4.426 -7.704 1.00 0.00 C ATOM 911 CG GLU B 20 29.441 5.451 -8.104 1.00 0.00 C ATOM 912 CD GLU B 20 28.865 6.862 -7.971 1.00 0.00 C ATOM 913 OE1 GLU B 20 28.927 7.406 -6.881 1.00 0.00 O ATOM 914 OE2 GLU B 20 28.371 7.375 -8.962 1.00 0.00 O ATOM 0 H GLU B 20 27.046 2.585 -6.907 1.00 0.00 H new ATOM 0 HA GLU B 20 29.347 2.655 -8.523 1.00 0.00 H new ATOM 0 HB2 GLU B 20 27.589 4.391 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU B 20 27.908 4.720 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU B 20 30.321 5.344 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU B 20 29.765 5.274 -9.130 1.00 0.00 H new ATOM 921 N ARG B 21 30.063 3.326 -5.386 1.00 0.00 N ATOM 922 CA ARG B 21 31.223 3.398 -4.455 1.00 0.00 C ATOM 923 C ARG B 21 32.013 2.090 -4.518 1.00 0.00 C ATOM 924 O ARG B 21 33.228 2.084 -4.500 1.00 0.00 O ATOM 925 CB ARG B 21 30.608 3.592 -3.068 1.00 0.00 C ATOM 926 CG ARG B 21 31.699 4.004 -2.078 1.00 0.00 C ATOM 927 CD ARG B 21 31.500 5.468 -1.678 1.00 0.00 C ATOM 928 NE ARG B 21 32.556 6.214 -2.416 1.00 0.00 N ATOM 929 CZ ARG B 21 32.317 7.418 -2.858 1.00 0.00 C ATOM 930 NH1 ARG B 21 32.409 8.439 -2.051 1.00 0.00 N ATOM 931 NH2 ARG B 21 31.985 7.601 -4.106 1.00 0.00 N ATOM 0 H ARG B 21 29.148 3.442 -4.950 1.00 0.00 H new ATOM 0 HA ARG B 21 31.913 4.204 -4.705 1.00 0.00 H new ATOM 0 HB2 ARG B 21 29.831 4.355 -3.107 1.00 0.00 H new ATOM 0 HB3 ARG B 21 30.132 2.669 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG B 21 31.663 3.367 -1.195 1.00 0.00 H new ATOM 0 HG3 ARG B 21 32.683 3.869 -2.528 1.00 0.00 H new ATOM 0 HD2 ARG B 21 30.505 5.820 -1.950 1.00 0.00 H new ATOM 0 HD3 ARG B 21 31.602 5.601 -0.601 1.00 0.00 H new ATOM 0 HE ARG B 21 33.467 5.784 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG B 21 32.668 8.296 -1.075 1.00 0.00 H new ATOM 0 HH12 ARG B 21 32.222 9.380 -2.396 1.00 0.00 H new ATOM 0 HH21 ARG B 21 31.912 6.803 -4.737 1.00 0.00 H new ATOM 0 HH22 ARG B 21 31.798 8.542 -4.451 1.00 0.00 H new ATOM 945 N ASN B 22 31.329 0.979 -4.601 1.00 0.00 N ATOM 946 CA ASN B 22 32.040 -0.328 -4.677 1.00 0.00 C ATOM 947 C ASN B 22 33.055 -0.295 -5.819 1.00 0.00 C ATOM 948 O ASN B 22 34.211 -0.626 -5.647 1.00 0.00 O ATOM 949 CB ASN B 22 30.946 -1.360 -4.958 1.00 0.00 C ATOM 950 CG ASN B 22 31.488 -2.765 -4.687 1.00 0.00 C ATOM 951 OD1 ASN B 22 31.693 -3.536 -5.604 1.00 0.00 O ATOM 952 ND2 ASN B 22 31.730 -3.133 -3.459 1.00 0.00 N ATOM 0 H ASN B 22 30.311 0.922 -4.619 1.00 0.00 H new ATOM 0 HA ASN B 22 32.588 -0.561 -3.764 1.00 0.00 H new ATOM 0 HB2 ASN B 22 30.078 -1.166 -4.328 1.00 0.00 H new ATOM 0 HB3 ASN B 22 30.613 -1.280 -5.993 1.00 0.00 H new ATOM 0 HD21 ASN B 22 32.091 -4.068 -3.268 1.00 0.00 H new ATOM 0 HD22 ASN B 22 31.558 -2.486 -2.689 1.00 0.00 H new ATOM 959 N GLU B 23 32.633 0.113 -6.985 1.00 0.00 N ATOM 960 CA GLU B 23 33.577 0.179 -8.136 1.00 0.00 C ATOM 961 C GLU B 23 34.782 1.045 -7.766 1.00 0.00 C ATOM 962 O GLU B 23 35.915 0.703 -8.043 1.00 0.00 O ATOM 963 CB GLU B 23 32.778 0.825 -9.269 1.00 0.00 C ATOM 964 CG GLU B 23 33.736 1.293 -10.366 1.00 0.00 C ATOM 965 CD GLU B 23 33.057 1.157 -11.730 1.00 0.00 C ATOM 966 OE1 GLU B 23 32.374 2.087 -12.125 1.00 0.00 O ATOM 967 OE2 GLU B 23 33.232 0.125 -12.356 1.00 0.00 O ATOM 0 H GLU B 23 31.677 0.403 -7.190 1.00 0.00 H new ATOM 0 HA GLU B 23 33.959 -0.802 -8.420 1.00 0.00 H new ATOM 0 HB2 GLU B 23 32.062 0.111 -9.677 1.00 0.00 H new ATOM 0 HB3 GLU B 23 32.204 1.670 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU B 23 34.024 2.330 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU B 23 34.650 0.700 -10.342 1.00 0.00 H new ATOM 974 N ALA B 24 34.546 2.163 -7.135 1.00 0.00 N ATOM 975 CA ALA B 24 35.677 3.049 -6.739 1.00 0.00 C ATOM 976 C ALA B 24 36.665 2.271 -5.866 1.00 0.00 C ATOM 977 O ALA B 24 37.865 2.408 -5.996 1.00 0.00 O ATOM 978 CB ALA B 24 35.033 4.184 -5.943 1.00 0.00 C ATOM 0 H ALA B 24 33.619 2.501 -6.877 1.00 0.00 H new ATOM 0 HA ALA B 24 36.234 3.424 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA B 24 35.804 4.881 -5.615 1.00 0.00 H new ATOM 0 HB2 ALA B 24 34.314 4.708 -6.573 1.00 0.00 H new ATOM 0 HB3 ALA B 24 34.521 3.773 -5.073 1.00 0.00 H new ATOM 984 N LEU B 25 36.167 1.449 -4.981 1.00 0.00 N ATOM 985 CA LEU B 25 37.079 0.658 -4.108 1.00 0.00 C ATOM 986 C LEU B 25 38.015 -0.189 -4.972 1.00 0.00 C ATOM 987 O LEU B 25 39.221 -0.121 -4.849 1.00 0.00 O ATOM 988 CB LEU B 25 36.158 -0.234 -3.273 1.00 0.00 C ATOM 989 CG LEU B 25 36.972 -1.369 -2.649 1.00 0.00 C ATOM 990 CD1 LEU B 25 36.416 -1.695 -1.261 1.00 0.00 C ATOM 991 CD2 LEU B 25 36.877 -2.611 -3.539 1.00 0.00 C ATOM 0 H LEU B 25 35.171 1.292 -4.826 1.00 0.00 H new ATOM 0 HA LEU B 25 37.706 1.289 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU B 25 35.676 0.354 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU B 25 35.365 -0.643 -3.899 1.00 0.00 H new ATOM 0 HG LEU B 25 38.014 -1.062 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU B 25 36.997 -2.504 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU B 25 36.481 -0.811 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU B 25 35.374 -2.003 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU B 25 37.456 -3.421 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU B 25 35.834 -2.917 -3.627 1.00 0.00 H new ATOM 0 HD23 LEU B 25 37.272 -2.381 -4.528 1.00 0.00 H new ATOM 1003 N GLU B 26 37.467 -0.982 -5.852 1.00 0.00 N ATOM 1004 CA GLU B 26 38.329 -1.824 -6.729 1.00 0.00 C ATOM 1005 C GLU B 26 39.462 -0.975 -7.307 1.00 0.00 C ATOM 1006 O GLU B 26 40.627 -1.273 -7.132 1.00 0.00 O ATOM 1007 CB GLU B 26 37.403 -2.316 -7.842 1.00 0.00 C ATOM 1008 CG GLU B 26 38.018 -3.546 -8.511 1.00 0.00 C ATOM 1009 CD GLU B 26 39.092 -3.104 -9.506 1.00 0.00 C ATOM 1010 OE1 GLU B 26 38.758 -2.365 -10.418 1.00 0.00 O ATOM 1011 OE2 GLU B 26 40.230 -3.511 -9.340 1.00 0.00 O ATOM 0 H GLU B 26 36.463 -1.083 -6.001 1.00 0.00 H new ATOM 0 HA GLU B 26 38.789 -2.653 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU B 26 36.424 -2.563 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU B 26 37.250 -1.527 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU B 26 38.453 -4.203 -7.758 1.00 0.00 H new ATOM 0 HG3 GLU B 26 37.245 -4.118 -9.024 1.00 0.00 H new ATOM 1018 N LEU B 27 39.128 0.087 -7.988 1.00 0.00 N ATOM 1019 CA LEU B 27 40.184 0.962 -8.570 1.00 0.00 C ATOM 1020 C LEU B 27 40.939 1.680 -7.448 1.00 0.00 C ATOM 1021 O LEU B 27 42.129 1.906 -7.531 1.00 0.00 O ATOM 1022 CB LEU B 27 39.430 1.968 -9.439 1.00 0.00 C ATOM 1023 CG LEU B 27 40.396 3.048 -9.928 1.00 0.00 C ATOM 1024 CD1 LEU B 27 39.921 3.584 -11.279 1.00 0.00 C ATOM 1025 CD2 LEU B 27 40.436 4.193 -8.912 1.00 0.00 C ATOM 0 H LEU B 27 38.169 0.386 -8.166 1.00 0.00 H new ATOM 0 HA LEU B 27 40.920 0.401 -9.146 1.00 0.00 H new ATOM 0 HB2 LEU B 27 38.975 1.460 -10.290 1.00 0.00 H new ATOM 0 HB3 LEU B 27 38.620 2.422 -8.868 1.00 0.00 H new ATOM 0 HG LEU B 27 41.393 2.621 -10.037 1.00 0.00 H new ATOM 0 HD11 LEU B 27 40.610 4.354 -11.627 1.00 0.00 H new ATOM 0 HD12 LEU B 27 39.890 2.770 -12.003 1.00 0.00 H new ATOM 0 HD13 LEU B 27 38.924 4.011 -11.171 1.00 0.00 H new ATOM 0 HD21 LEU B 27 41.124 4.964 -9.259 1.00 0.00 H new ATOM 0 HD22 LEU B 27 39.438 4.619 -8.804 1.00 0.00 H new ATOM 0 HD23 LEU B 27 40.774 3.812 -7.948 1.00 0.00 H new ATOM 1037 N LYS B 28 40.252 2.034 -6.396 1.00 0.00 N ATOM 1038 CA LYS B 28 40.926 2.732 -5.264 1.00 0.00 C ATOM 1039 C LYS B 28 41.976 1.813 -4.635 1.00 0.00 C ATOM 1040 O LYS B 28 43.043 2.245 -4.249 1.00 0.00 O ATOM 1041 CB LYS B 28 39.808 3.038 -4.265 1.00 0.00 C ATOM 1042 CG LYS B 28 40.412 3.566 -2.961 1.00 0.00 C ATOM 1043 CD LYS B 28 41.462 4.634 -3.276 1.00 0.00 C ATOM 1044 CE LYS B 28 41.566 5.609 -2.101 1.00 0.00 C ATOM 1045 NZ LYS B 28 41.668 6.956 -2.729 1.00 0.00 N ATOM 0 H LYS B 28 39.253 1.870 -6.271 1.00 0.00 H new ATOM 0 HA LYS B 28 41.444 3.637 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS B 28 39.124 3.775 -4.685 1.00 0.00 H new ATOM 0 HB3 LYS B 28 39.226 2.138 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS B 28 39.629 3.987 -2.330 1.00 0.00 H new ATOM 0 HG3 LYS B 28 40.867 2.748 -2.402 1.00 0.00 H new ATOM 0 HD2 LYS B 28 42.429 4.166 -3.460 1.00 0.00 H new ATOM 0 HD3 LYS B 28 41.189 5.171 -4.185 1.00 0.00 H new ATOM 0 HE2 LYS B 28 40.693 5.541 -1.452 1.00 0.00 H new ATOM 0 HE3 LYS B 28 42.439 5.393 -1.485 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 41.743 7.680 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 42.512 6.993 -3.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 40.820 7.136 -3.304 1.00 0.00 H new ATOM 1059 N ASP B 29 41.680 0.546 -4.534 1.00 0.00 N ATOM 1060 CA ASP B 29 42.662 -0.403 -3.935 1.00 0.00 C ATOM 1061 C ASP B 29 43.793 -0.682 -4.927 1.00 0.00 C ATOM 1062 O ASP B 29 44.959 -0.562 -4.605 1.00 0.00 O ATOM 1063 CB ASP B 29 41.864 -1.678 -3.659 1.00 0.00 C ATOM 1064 CG ASP B 29 42.158 -2.169 -2.241 1.00 0.00 C ATOM 1065 OD1 ASP B 29 43.306 -2.481 -1.969 1.00 0.00 O ATOM 1066 OD2 ASP B 29 41.231 -2.226 -1.450 1.00 0.00 O ATOM 0 H ASP B 29 40.802 0.127 -4.840 1.00 0.00 H new ATOM 0 HA ASP B 29 43.122 -0.007 -3.029 1.00 0.00 H new ATOM 0 HB2 ASP B 29 40.798 -1.484 -3.774 1.00 0.00 H new ATOM 0 HB3 ASP B 29 42.128 -2.448 -4.384 1.00 0.00 H new ATOM 1071 N ALA B 30 43.458 -1.050 -6.133 1.00 0.00 N ATOM 1072 CA ALA B 30 44.514 -1.333 -7.147 1.00 0.00 C ATOM 1073 C ALA B 30 45.493 -0.158 -7.225 1.00 0.00 C ATOM 1074 O ALA B 30 46.617 -0.301 -7.665 1.00 0.00 O ATOM 1075 CB ALA B 30 43.762 -1.495 -8.468 1.00 0.00 C ATOM 0 H ALA B 30 42.499 -1.167 -6.461 1.00 0.00 H new ATOM 0 HA ALA B 30 45.098 -2.220 -6.902 1.00 0.00 H new ATOM 0 HB1 ALA B 30 44.472 -1.706 -9.267 1.00 0.00 H new ATOM 0 HB2 ALA B 30 43.054 -2.319 -8.385 1.00 0.00 H new ATOM 0 HB3 ALA B 30 43.223 -0.575 -8.695 1.00 0.00 H new ATOM 1081 N GLN B 31 45.074 1.003 -6.800 1.00 0.00 N ATOM 1082 CA GLN B 31 45.979 2.187 -6.847 1.00 0.00 C ATOM 1083 C GLN B 31 46.681 2.365 -5.498 1.00 0.00 C ATOM 1084 O GLN B 31 46.094 2.171 -4.452 1.00 0.00 O ATOM 1085 CB GLN B 31 45.061 3.375 -7.137 1.00 0.00 C ATOM 1086 CG GLN B 31 44.951 3.580 -8.649 1.00 0.00 C ATOM 1087 CD GLN B 31 46.285 4.093 -9.194 1.00 0.00 C ATOM 1088 OE1 GLN B 31 46.843 3.518 -10.107 1.00 0.00 O ATOM 1089 NE2 GLN B 31 46.824 5.159 -8.667 1.00 0.00 N ATOM 0 H GLN B 31 44.144 1.183 -6.422 1.00 0.00 H new ATOM 0 HA GLN B 31 46.760 2.084 -7.601 1.00 0.00 H new ATOM 0 HB2 GLN B 31 44.074 3.197 -6.711 1.00 0.00 H new ATOM 0 HB3 GLN B 31 45.454 4.275 -6.665 1.00 0.00 H new ATOM 0 HG2 GLN B 31 44.684 2.642 -9.135 1.00 0.00 H new ATOM 0 HG3 GLN B 31 44.157 4.292 -8.873 1.00 0.00 H new ATOM 0 HE21 GLN B 31 46.355 5.642 -7.900 1.00 0.00 H new ATOM 0 HE22 GLN B 31 47.714 5.509 -9.022 1.00 0.00 H new