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 Set 1.1: A 6 THR OG1 : rot -1:sc= 0.804 USER MOD Set 1.2: B 8 GLN : amide:sc= 0 X(o=0.8,f=0.46) USER MOD Single : A 4 TYR OH : 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= -1.15 K(o=-1.1,f=-5.1!) USER MOD Single : A 22 ASN : amide:sc= -0.252 K(o=-0.25,f=-3.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.288 K(o=-0.29,f=-1.8!) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot -1:sc= 0.948 USER MOD Single : B 17 GLN : amide:sc= -0.976 K(o=-0.98,f=-4.6!) USER MOD Single : B 22 ASN : amide:sc= -0.237 K(o=-0.24,f=-3.6!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.298 K(o=-0.3,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 17.794 -5.709 9.024 1.00 0.00 N ATOM 38 CA TYR A 4 19.125 -5.228 8.553 1.00 0.00 C ATOM 39 C TYR A 4 18.990 -4.539 7.192 1.00 0.00 C ATOM 40 O TYR A 4 17.900 -4.301 6.712 1.00 0.00 O ATOM 41 CB TYR A 4 19.982 -6.489 8.431 1.00 0.00 C ATOM 42 CG TYR A 4 19.422 -7.375 7.345 1.00 0.00 C ATOM 43 CD1 TYR A 4 18.296 -8.168 7.599 1.00 0.00 C ATOM 44 CD2 TYR A 4 20.026 -7.402 6.082 1.00 0.00 C ATOM 45 CE1 TYR A 4 17.776 -8.989 6.591 1.00 0.00 C ATOM 46 CE2 TYR A 4 19.506 -8.223 5.074 1.00 0.00 C ATOM 47 CZ TYR A 4 18.381 -9.016 5.329 1.00 0.00 C ATOM 48 OH TYR A 4 17.868 -9.825 4.335 1.00 0.00 O ATOM 0 HA TYR A 4 19.564 -4.500 9.235 1.00 0.00 H new ATOM 0 HB2 TYR A 4 21.013 -6.220 8.200 1.00 0.00 H new ATOM 0 HB3 TYR A 4 19.997 -7.025 9.380 1.00 0.00 H new ATOM 0 HD1 TYR A 4 17.829 -8.146 8.572 1.00 0.00 H new ATOM 0 HD2 TYR A 4 20.893 -6.789 5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 4 16.908 -9.601 6.787 1.00 0.00 H new ATOM 0 HE2 TYR A 4 19.973 -8.244 4.100 1.00 0.00 H new ATOM 0 HH TYR A 4 18.405 -9.724 3.521 1.00 0.00 H new ATOM 58 N PHE A 5 20.090 -4.217 6.568 1.00 0.00 N ATOM 59 CA PHE A 5 20.025 -3.543 5.240 1.00 0.00 C ATOM 60 C PHE A 5 20.986 -4.217 4.257 1.00 0.00 C ATOM 61 O PHE A 5 21.795 -5.042 4.633 1.00 0.00 O ATOM 62 CB PHE A 5 20.455 -2.100 5.506 1.00 0.00 C ATOM 63 CG PHE A 5 19.547 -1.487 6.545 1.00 0.00 C ATOM 64 CD1 PHE A 5 18.192 -1.283 6.258 1.00 0.00 C ATOM 65 CD2 PHE A 5 20.060 -1.121 7.795 1.00 0.00 C ATOM 66 CE1 PHE A 5 17.350 -0.714 7.221 1.00 0.00 C ATOM 67 CE2 PHE A 5 19.218 -0.553 8.758 1.00 0.00 C ATOM 68 CZ PHE A 5 17.863 -0.349 8.471 1.00 0.00 C ATOM 0 H PHE A 5 21.031 -4.392 6.920 1.00 0.00 H new ATOM 0 HA PHE A 5 19.030 -3.597 4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 5 21.489 -2.075 5.851 1.00 0.00 H new ATOM 0 HB3 PHE A 5 20.413 -1.521 4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 5 17.796 -1.565 5.293 1.00 0.00 H new ATOM 0 HD2 PHE A 5 21.106 -1.277 8.016 1.00 0.00 H new ATOM 0 HE1 PHE A 5 16.305 -0.557 6.999 1.00 0.00 H new ATOM 0 HE2 PHE A 5 19.614 -0.272 9.723 1.00 0.00 H new ATOM 0 HZ PHE A 5 17.214 0.090 9.214 1.00 0.00 H new ATOM 78 N THR A 6 20.905 -3.871 3.001 1.00 0.00 N ATOM 79 CA THR A 6 21.815 -4.493 1.996 1.00 0.00 C ATOM 80 C THR A 6 21.913 -3.607 0.751 1.00 0.00 C ATOM 81 O THR A 6 21.047 -2.798 0.484 1.00 0.00 O ATOM 82 CB THR A 6 21.167 -5.835 1.651 1.00 0.00 C ATOM 83 OG1 THR A 6 21.329 -6.731 2.741 1.00 0.00 O ATOM 84 CG2 THR A 6 21.831 -6.418 0.403 1.00 0.00 C ATOM 0 H THR A 6 20.249 -3.185 2.627 1.00 0.00 H new ATOM 0 HA THR A 6 22.829 -4.617 2.377 1.00 0.00 H new ATOM 0 HB THR A 6 20.104 -5.688 1.458 1.00 0.00 H new ATOM 0 HG1 THR A 6 21.833 -6.289 3.456 1.00 0.00 H new ATOM 0 HG21 THR A 6 21.369 -7.374 0.158 1.00 0.00 H new ATOM 0 HG22 THR A 6 21.704 -5.729 -0.432 1.00 0.00 H new ATOM 0 HG23 THR A 6 22.894 -6.567 0.592 1.00 0.00 H new ATOM 92 N LEU A 7 22.960 -3.756 -0.013 1.00 0.00 N ATOM 93 CA LEU A 7 23.111 -2.923 -1.241 1.00 0.00 C ATOM 94 C LEU A 7 23.630 -3.781 -2.398 1.00 0.00 C ATOM 95 O LEU A 7 24.310 -4.767 -2.195 1.00 0.00 O ATOM 96 CB LEU A 7 24.133 -1.849 -0.868 1.00 0.00 C ATOM 97 CG LEU A 7 23.607 -0.476 -1.289 1.00 0.00 C ATOM 98 CD1 LEU A 7 22.727 0.097 -0.177 1.00 0.00 C ATOM 99 CD2 LEU A 7 24.787 0.466 -1.541 1.00 0.00 C ATOM 0 H LEU A 7 23.717 -4.418 0.159 1.00 0.00 H new ATOM 0 HA LEU A 7 22.166 -2.489 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.318 -1.866 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 7 25.085 -2.052 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 7 23.019 -0.577 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 7 22.352 1.076 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 7 21.887 -0.573 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.314 0.198 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 7 24.413 1.445 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 7 25.374 0.566 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 7 25.415 0.059 -2.333 1.00 0.00 H new ATOM 111 N GLN A 8 23.314 -3.415 -3.610 1.00 0.00 N ATOM 112 CA GLN A 8 23.789 -4.214 -4.776 1.00 0.00 C ATOM 113 C GLN A 8 24.599 -3.333 -5.730 1.00 0.00 C ATOM 114 O GLN A 8 24.173 -2.263 -6.116 1.00 0.00 O ATOM 115 CB GLN A 8 22.516 -4.713 -5.460 1.00 0.00 C ATOM 116 CG GLN A 8 21.552 -5.265 -4.409 1.00 0.00 C ATOM 117 CD GLN A 8 20.637 -6.307 -5.054 1.00 0.00 C ATOM 118 OE1 GLN A 8 19.664 -5.963 -5.697 1.00 0.00 O ATOM 119 NE2 GLN A 8 20.908 -7.575 -4.911 1.00 0.00 N ATOM 0 H GLN A 8 22.749 -2.599 -3.844 1.00 0.00 H new ATOM 0 HA GLN A 8 24.439 -5.035 -4.474 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.043 -3.899 -6.010 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.761 -5.488 -6.186 1.00 0.00 H new ATOM 0 HG2 GLN A 8 22.111 -5.714 -3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 8 20.957 -4.456 -3.985 1.00 0.00 H new ATOM 0 HE21 GLN A 8 21.724 -7.864 -4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 8 20.304 -8.277 -5.338 1.00 0.00 H new ATOM 128 N ILE A 9 25.763 -3.778 -6.117 1.00 0.00 N ATOM 129 CA ILE A 9 26.599 -2.971 -7.050 1.00 0.00 C ATOM 130 C ILE A 9 26.982 -3.812 -8.270 1.00 0.00 C ATOM 131 O ILE A 9 26.836 -5.019 -8.272 1.00 0.00 O ATOM 132 CB ILE A 9 27.842 -2.591 -6.245 1.00 0.00 C ATOM 133 CG1 ILE A 9 27.427 -1.747 -5.037 1.00 0.00 C ATOM 134 CG2 ILE A 9 28.793 -1.782 -7.127 1.00 0.00 C ATOM 135 CD1 ILE A 9 27.717 -2.520 -3.749 1.00 0.00 C ATOM 0 H ILE A 9 26.172 -4.666 -5.827 1.00 0.00 H new ATOM 0 HA ILE A 9 26.074 -2.091 -7.421 1.00 0.00 H new ATOM 0 HB ILE A 9 28.344 -3.496 -5.903 1.00 0.00 H new ATOM 0 HG12 ILE A 9 27.970 -0.802 -5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 9 26.366 -1.505 -5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 9 29.679 -1.511 -6.553 1.00 0.00 H new ATOM 0 HG22 ILE A 9 29.088 -2.381 -7.989 1.00 0.00 H new ATOM 0 HG23 ILE A 9 28.291 -0.877 -7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 9 27.421 -1.919 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 9 27.154 -3.453 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 9 28.783 -2.740 -3.689 1.00 0.00 H new ATOM 147 N ARG A 10 27.467 -3.189 -9.308 1.00 0.00 N ATOM 148 CA ARG A 10 27.851 -3.960 -10.526 1.00 0.00 C ATOM 149 C ARG A 10 29.303 -3.666 -10.911 1.00 0.00 C ATOM 150 O ARG A 10 29.996 -4.506 -11.451 1.00 0.00 O ATOM 151 CB ARG A 10 26.904 -3.469 -11.619 1.00 0.00 C ATOM 152 CG ARG A 10 27.255 -4.157 -12.937 1.00 0.00 C ATOM 153 CD ARG A 10 27.528 -3.103 -14.011 1.00 0.00 C ATOM 154 NE ARG A 10 27.732 -3.879 -15.266 1.00 0.00 N ATOM 155 CZ ARG A 10 27.848 -3.257 -16.407 1.00 0.00 C ATOM 156 NH1 ARG A 10 28.535 -2.150 -16.480 1.00 0.00 N ATOM 157 NH2 ARG A 10 27.276 -3.742 -17.475 1.00 0.00 N ATOM 0 H ARG A 10 27.614 -2.181 -9.367 1.00 0.00 H new ATOM 0 HA ARG A 10 27.777 -5.036 -10.369 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.871 -3.686 -11.346 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.985 -2.387 -11.727 1.00 0.00 H new ATOM 0 HG2 ARG A 10 28.131 -4.791 -12.805 1.00 0.00 H new ATOM 0 HG3 ARG A 10 26.436 -4.805 -13.249 1.00 0.00 H new ATOM 0 HD2 ARG A 10 26.692 -2.410 -14.106 1.00 0.00 H new ATOM 0 HD3 ARG A 10 28.408 -2.508 -13.766 1.00 0.00 H new ATOM 0 HE ARG A 10 27.781 -4.897 -15.233 1.00 0.00 H new ATOM 0 HH11 ARG A 10 28.981 -1.771 -15.645 1.00 0.00 H new ATOM 0 HH12 ARG A 10 28.626 -1.664 -17.372 1.00 0.00 H new ATOM 0 HH21 ARG A 10 26.739 -4.607 -17.417 1.00 0.00 H new ATOM 0 HH22 ARG A 10 27.366 -3.256 -18.367 1.00 0.00 H new ATOM 171 N GLY A 11 29.767 -2.480 -10.638 1.00 0.00 N ATOM 172 CA GLY A 11 31.170 -2.128 -10.987 1.00 0.00 C ATOM 173 C GLY A 11 32.044 -2.283 -9.746 1.00 0.00 C ATOM 174 O GLY A 11 31.764 -1.724 -8.705 1.00 0.00 O ATOM 0 H GLY A 11 29.233 -1.737 -10.187 1.00 0.00 H new ATOM 0 HA2 GLY A 11 31.533 -2.774 -11.786 1.00 0.00 H new ATOM 0 HA3 GLY A 11 31.220 -1.104 -11.358 1.00 0.00 H new ATOM 178 N ARG A 12 33.095 -3.045 -9.842 1.00 0.00 N ATOM 179 CA ARG A 12 33.972 -3.238 -8.657 1.00 0.00 C ATOM 180 C ARG A 12 34.778 -1.965 -8.376 1.00 0.00 C ATOM 181 O ARG A 12 35.310 -1.781 -7.299 1.00 0.00 O ATOM 182 CB ARG A 12 34.902 -4.393 -9.031 1.00 0.00 C ATOM 183 CG ARG A 12 35.640 -4.881 -7.782 1.00 0.00 C ATOM 184 CD ARG A 12 35.480 -6.397 -7.653 1.00 0.00 C ATOM 185 NE ARG A 12 36.870 -6.926 -7.583 1.00 0.00 N ATOM 186 CZ ARG A 12 37.099 -8.089 -7.035 1.00 0.00 C ATOM 187 NH1 ARG A 12 37.308 -8.175 -5.750 1.00 0.00 N ATOM 188 NH2 ARG A 12 37.119 -9.165 -7.773 1.00 0.00 N ATOM 0 H ARG A 12 33.384 -3.540 -10.686 1.00 0.00 H new ATOM 0 HA ARG A 12 33.400 -3.454 -7.755 1.00 0.00 H new ATOM 0 HB2 ARG A 12 34.327 -5.209 -9.469 1.00 0.00 H new ATOM 0 HB3 ARG A 12 35.618 -4.067 -9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 12 36.696 -4.621 -7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 12 35.243 -4.386 -6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 12 34.912 -6.660 -6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 12 34.942 -6.811 -8.506 1.00 0.00 H new ATOM 0 HE ARG A 12 37.643 -6.380 -7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 12 37.293 -7.334 -5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 12 37.487 -9.083 -5.322 1.00 0.00 H new ATOM 0 HH21 ARG A 12 36.956 -9.098 -8.778 1.00 0.00 H new ATOM 0 HH22 ARG A 12 37.298 -10.074 -7.345 1.00 0.00 H new ATOM 202 N GLU A 13 34.874 -1.087 -9.337 1.00 0.00 N ATOM 203 CA GLU A 13 35.647 0.171 -9.124 1.00 0.00 C ATOM 204 C GLU A 13 35.068 0.961 -7.946 1.00 0.00 C ATOM 205 O GLU A 13 35.771 1.320 -7.022 1.00 0.00 O ATOM 206 CB GLU A 13 35.486 0.958 -10.426 1.00 0.00 C ATOM 207 CG GLU A 13 36.849 1.106 -11.105 1.00 0.00 C ATOM 208 CD GLU A 13 37.803 1.858 -10.176 1.00 0.00 C ATOM 209 OE1 GLU A 13 38.440 1.209 -9.362 1.00 0.00 O ATOM 210 OE2 GLU A 13 37.880 3.070 -10.293 1.00 0.00 O ATOM 0 H GLU A 13 34.451 -1.186 -10.260 1.00 0.00 H new ATOM 0 HA GLU A 13 36.693 -0.024 -8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 13 34.791 0.444 -11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 13 35.062 1.941 -10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 13 37.256 0.124 -11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 13 36.742 1.645 -12.047 1.00 0.00 H new ATOM 217 N ARG A 14 33.791 1.231 -7.969 1.00 0.00 N ATOM 218 CA ARG A 14 33.167 1.993 -6.852 1.00 0.00 C ATOM 219 C ARG A 14 32.844 1.046 -5.698 1.00 0.00 C ATOM 220 O ARG A 14 32.923 1.407 -4.540 1.00 0.00 O ATOM 221 CB ARG A 14 31.886 2.583 -7.441 1.00 0.00 C ATOM 222 CG ARG A 14 30.924 1.451 -7.808 1.00 0.00 C ATOM 223 CD ARG A 14 29.622 2.043 -8.353 1.00 0.00 C ATOM 224 NE ARG A 14 28.854 0.876 -8.867 1.00 0.00 N ATOM 225 CZ ARG A 14 27.580 0.996 -9.126 1.00 0.00 C ATOM 226 NH1 ARG A 14 26.750 1.327 -8.176 1.00 0.00 N ATOM 227 NH2 ARG A 14 27.137 0.785 -10.335 1.00 0.00 N ATOM 0 H ARG A 14 33.152 0.956 -8.715 1.00 0.00 H new ATOM 0 HA ARG A 14 33.823 2.769 -6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 14 31.417 3.254 -6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 14 32.119 3.177 -8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 14 31.380 0.800 -8.554 1.00 0.00 H new ATOM 0 HG3 ARG A 14 30.718 0.837 -6.932 1.00 0.00 H new ATOM 0 HD2 ARG A 14 29.069 2.567 -7.573 1.00 0.00 H new ATOM 0 HD3 ARG A 14 29.818 2.766 -9.145 1.00 0.00 H new ATOM 0 HE ARG A 14 29.323 -0.017 -9.017 1.00 0.00 H new ATOM 0 HH11 ARG A 14 27.096 1.492 -7.231 1.00 0.00 H new ATOM 0 HH12 ARG A 14 25.755 1.421 -8.378 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.786 0.526 -11.078 1.00 0.00 H new ATOM 0 HH22 ARG A 14 26.142 0.879 -10.537 1.00 0.00 H new ATOM 241 N PHE A 15 32.483 -0.171 -6.000 1.00 0.00 N ATOM 242 CA PHE A 15 32.167 -1.126 -4.907 1.00 0.00 C ATOM 243 C PHE A 15 33.372 -1.242 -3.974 1.00 0.00 C ATOM 244 O PHE A 15 33.251 -1.135 -2.770 1.00 0.00 O ATOM 245 CB PHE A 15 31.888 -2.463 -5.592 1.00 0.00 C ATOM 246 CG PHE A 15 31.883 -3.555 -4.550 1.00 0.00 C ATOM 247 CD1 PHE A 15 33.093 -4.056 -4.058 1.00 0.00 C ATOM 248 CD2 PHE A 15 30.668 -4.059 -4.069 1.00 0.00 C ATOM 249 CE1 PHE A 15 33.091 -5.062 -3.086 1.00 0.00 C ATOM 250 CE2 PHE A 15 30.666 -5.064 -3.094 1.00 0.00 C ATOM 251 CZ PHE A 15 31.877 -5.565 -2.603 1.00 0.00 C ATOM 0 H PHE A 15 32.394 -0.540 -6.947 1.00 0.00 H new ATOM 0 HA PHE A 15 31.314 -0.805 -4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 15 30.928 -2.429 -6.107 1.00 0.00 H new ATOM 0 HB3 PHE A 15 32.648 -2.666 -6.347 1.00 0.00 H new ATOM 0 HD1 PHE A 15 34.029 -3.666 -4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 15 29.734 -3.673 -4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 15 34.025 -5.450 -2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 15 29.730 -5.453 -2.721 1.00 0.00 H new ATOM 0 HZ PHE A 15 31.875 -6.340 -1.851 1.00 0.00 H new ATOM 261 N GLU A 16 34.539 -1.447 -4.525 1.00 0.00 N ATOM 262 CA GLU A 16 35.752 -1.553 -3.668 1.00 0.00 C ATOM 263 C GLU A 16 35.770 -0.391 -2.677 1.00 0.00 C ATOM 264 O GLU A 16 36.094 -0.554 -1.517 1.00 0.00 O ATOM 265 CB GLU A 16 36.933 -1.456 -4.635 1.00 0.00 C ATOM 266 CG GLU A 16 37.095 -2.784 -5.377 1.00 0.00 C ATOM 267 CD GLU A 16 38.214 -3.600 -4.726 1.00 0.00 C ATOM 268 OE1 GLU A 16 38.248 -3.654 -3.507 1.00 0.00 O ATOM 269 OE2 GLU A 16 39.018 -4.155 -5.456 1.00 0.00 O ATOM 0 H GLU A 16 34.703 -1.545 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 16 35.784 -2.477 -3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.768 -0.647 -5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.846 -1.219 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.160 -3.344 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.327 -2.601 -6.426 1.00 0.00 H new ATOM 276 N GLN A 17 35.406 0.781 -3.124 1.00 0.00 N ATOM 277 CA GLN A 17 35.383 1.952 -2.206 1.00 0.00 C ATOM 278 C GLN A 17 34.434 1.663 -1.042 1.00 0.00 C ATOM 279 O GLN A 17 34.730 1.943 0.102 1.00 0.00 O ATOM 280 CB GLN A 17 34.861 3.113 -3.055 1.00 0.00 C ATOM 281 CG GLN A 17 36.015 4.047 -3.417 1.00 0.00 C ATOM 282 CD GLN A 17 37.100 3.261 -4.154 1.00 0.00 C ATOM 283 OE1 GLN A 17 37.740 2.401 -3.582 1.00 0.00 O ATOM 284 NE2 GLN A 17 37.336 3.521 -5.411 1.00 0.00 N ATOM 0 H GLN A 17 35.124 0.976 -4.085 1.00 0.00 H new ATOM 0 HA GLN A 17 36.361 2.176 -1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.392 2.731 -3.962 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.095 3.661 -2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 17 35.653 4.862 -4.044 1.00 0.00 H new ATOM 0 HG3 GLN A 17 36.428 4.498 -2.515 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.799 4.243 -5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 17 38.057 3.002 -5.912 1.00 0.00 H new ATOM 293 N PHE A 18 33.294 1.092 -1.330 1.00 0.00 N ATOM 294 CA PHE A 18 32.326 0.772 -0.242 1.00 0.00 C ATOM 295 C PHE A 18 32.884 -0.346 0.642 1.00 0.00 C ATOM 296 O PHE A 18 32.984 -0.203 1.845 1.00 0.00 O ATOM 297 CB PHE A 18 31.055 0.312 -0.959 1.00 0.00 C ATOM 298 CG PHE A 18 30.522 1.429 -1.828 1.00 0.00 C ATOM 299 CD1 PHE A 18 30.828 2.765 -1.532 1.00 0.00 C ATOM 300 CD2 PHE A 18 29.715 1.127 -2.932 1.00 0.00 C ATOM 301 CE1 PHE A 18 30.329 3.793 -2.338 1.00 0.00 C ATOM 302 CE2 PHE A 18 29.217 2.157 -3.738 1.00 0.00 C ATOM 303 CZ PHE A 18 29.524 3.489 -3.441 1.00 0.00 C ATOM 0 H PHE A 18 32.993 0.834 -2.270 1.00 0.00 H new ATOM 0 HA PHE A 18 32.134 1.626 0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 18 31.269 -0.565 -1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 18 30.302 0.016 -0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.450 3.000 -0.681 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.477 0.099 -3.161 1.00 0.00 H new ATOM 0 HE1 PHE A 18 30.565 4.822 -2.109 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.595 1.923 -4.590 1.00 0.00 H new ATOM 0 HZ PHE A 18 29.139 4.283 -4.064 1.00 0.00 H new ATOM 313 N ARG A 19 33.254 -1.457 0.059 1.00 0.00 N ATOM 314 CA ARG A 19 33.811 -2.574 0.876 1.00 0.00 C ATOM 315 C ARG A 19 34.789 -2.019 1.915 1.00 0.00 C ATOM 316 O ARG A 19 34.552 -2.088 3.106 1.00 0.00 O ATOM 317 CB ARG A 19 34.541 -3.471 -0.125 1.00 0.00 C ATOM 318 CG ARG A 19 34.921 -4.788 0.554 1.00 0.00 C ATOM 319 CD ARG A 19 33.655 -5.596 0.844 1.00 0.00 C ATOM 320 NE ARG A 19 33.925 -6.281 2.138 1.00 0.00 N ATOM 321 CZ ARG A 19 33.236 -7.337 2.473 1.00 0.00 C ATOM 322 NH1 ARG A 19 33.093 -8.318 1.625 1.00 0.00 N ATOM 323 NH2 ARG A 19 32.690 -7.411 3.656 1.00 0.00 N ATOM 0 H ARG A 19 33.195 -1.638 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 19 33.040 -3.119 1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 19 33.904 -3.665 -0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 19 35.435 -2.969 -0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 19 35.591 -5.360 -0.087 1.00 0.00 H new ATOM 0 HG3 ARG A 19 35.459 -4.590 1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 19 32.781 -4.949 0.915 1.00 0.00 H new ATOM 0 HD3 ARG A 19 33.455 -6.316 0.050 1.00 0.00 H new ATOM 0 HE ARG A 19 34.649 -5.925 2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 19 33.520 -8.259 0.700 1.00 0.00 H new ATOM 0 HH12 ARG A 19 32.554 -9.144 1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 19 32.802 -6.643 4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 19 32.151 -8.236 3.918 1.00 0.00 H new ATOM 337 N GLU A 20 35.882 -1.456 1.473 1.00 0.00 N ATOM 338 CA GLU A 20 36.862 -0.887 2.439 1.00 0.00 C ATOM 339 C GLU A 20 36.131 0.025 3.426 1.00 0.00 C ATOM 340 O GLU A 20 36.459 0.085 4.595 1.00 0.00 O ATOM 341 CB GLU A 20 37.846 -0.084 1.587 1.00 0.00 C ATOM 342 CG GLU A 20 39.119 0.185 2.391 1.00 0.00 C ATOM 343 CD GLU A 20 40.056 1.084 1.582 1.00 0.00 C ATOM 344 OE1 GLU A 20 39.629 2.161 1.201 1.00 0.00 O ATOM 345 OE2 GLU A 20 41.185 0.679 1.357 1.00 0.00 O ATOM 0 H GLU A 20 36.136 -1.366 0.489 1.00 0.00 H new ATOM 0 HA GLU A 20 37.373 -1.654 3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 20 38.088 -0.633 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 20 37.392 0.858 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 20 38.869 0.662 3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 20 39.616 -0.755 2.629 1.00 0.00 H new ATOM 352 N ARG A 21 35.133 0.727 2.962 1.00 0.00 N ATOM 353 CA ARG A 21 34.368 1.627 3.870 1.00 0.00 C ATOM 354 C ARG A 21 33.585 0.790 4.884 1.00 0.00 C ATOM 355 O ARG A 21 33.619 1.043 6.072 1.00 0.00 O ATOM 356 CB ARG A 21 33.414 2.397 2.957 1.00 0.00 C ATOM 357 CG ARG A 21 33.323 3.851 3.423 1.00 0.00 C ATOM 358 CD ARG A 21 34.626 4.578 3.088 1.00 0.00 C ATOM 359 NE ARG A 21 34.582 4.785 1.614 1.00 0.00 N ATOM 360 CZ ARG A 21 34.525 5.994 1.125 1.00 0.00 C ATOM 361 NH1 ARG A 21 35.497 6.835 1.353 1.00 0.00 N ATOM 362 NH2 ARG A 21 33.498 6.361 0.409 1.00 0.00 N ATOM 0 H ARG A 21 34.815 0.716 1.993 1.00 0.00 H new ATOM 0 HA ARG A 21 35.014 2.299 4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.767 2.356 1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.426 1.936 2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 21 32.482 4.347 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 21 33.139 3.889 4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 21 34.696 5.528 3.618 1.00 0.00 H new ATOM 0 HD3 ARG A 21 35.494 3.986 3.378 1.00 0.00 H new ATOM 0 HE ARG A 21 34.596 3.981 0.986 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.300 6.547 1.913 1.00 0.00 H new ATOM 0 HH12 ARG A 21 35.454 7.780 0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.739 5.703 0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 21 33.454 7.306 0.027 1.00 0.00 H new ATOM 376 N ASN A 22 32.883 -0.211 4.423 1.00 0.00 N ATOM 377 CA ASN A 22 32.106 -1.068 5.363 1.00 0.00 C ATOM 378 C ASN A 22 32.965 -1.406 6.582 1.00 0.00 C ATOM 379 O ASN A 22 32.538 -1.271 7.711 1.00 0.00 O ATOM 380 CB ASN A 22 31.777 -2.333 4.569 1.00 0.00 C ATOM 381 CG ASN A 22 30.584 -3.042 5.211 1.00 0.00 C ATOM 382 OD1 ASN A 22 29.931 -2.495 6.077 1.00 0.00 O ATOM 383 ND2 ASN A 22 30.269 -4.247 4.821 1.00 0.00 N ATOM 0 H ASN A 22 32.815 -0.471 3.439 1.00 0.00 H new ATOM 0 HA ASN A 22 31.205 -0.577 5.729 1.00 0.00 H new ATOM 0 HB2 ASN A 22 31.548 -2.077 3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 22 32.641 -2.997 4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 22 29.475 -4.729 5.243 1.00 0.00 H new ATOM 0 HD22 ASN A 22 30.817 -4.707 4.094 1.00 0.00 H new ATOM 390 N GLU A 23 34.177 -1.839 6.363 1.00 0.00 N ATOM 391 CA GLU A 23 35.065 -2.178 7.511 1.00 0.00 C ATOM 392 C GLU A 23 35.298 -0.936 8.376 1.00 0.00 C ATOM 393 O GLU A 23 35.151 -0.968 9.583 1.00 0.00 O ATOM 394 CB GLU A 23 36.376 -2.643 6.874 1.00 0.00 C ATOM 395 CG GLU A 23 37.106 -3.586 7.832 1.00 0.00 C ATOM 396 CD GLU A 23 38.302 -4.216 7.115 1.00 0.00 C ATOM 397 OE1 GLU A 23 38.082 -5.105 6.309 1.00 0.00 O ATOM 398 OE2 GLU A 23 39.416 -3.799 7.384 1.00 0.00 O ATOM 0 H GLU A 23 34.590 -1.972 5.440 1.00 0.00 H new ATOM 0 HA GLU A 23 34.635 -2.942 8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 23 36.174 -3.151 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 23 37.005 -1.783 6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 23 37.443 -3.038 8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 23 36.427 -4.364 8.182 1.00 0.00 H new ATOM 405 N ALA A 24 35.655 0.162 7.766 1.00 0.00 N ATOM 406 CA ALA A 24 35.893 1.407 8.550 1.00 0.00 C ATOM 407 C ALA A 24 34.599 1.842 9.240 1.00 0.00 C ATOM 408 O ALA A 24 34.536 1.960 10.448 1.00 0.00 O ATOM 409 CB ALA A 24 36.329 2.449 7.519 1.00 0.00 C ATOM 0 H ALA A 24 35.792 0.250 6.759 1.00 0.00 H new ATOM 0 HA ALA A 24 36.643 1.271 9.329 1.00 0.00 H new ATOM 0 HB1 ALA A 24 36.524 3.397 8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 24 37.236 2.109 7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 24 35.538 2.584 6.781 1.00 0.00 H new ATOM 415 N LEU A 25 33.565 2.076 8.481 1.00 0.00 N ATOM 416 CA LEU A 25 32.274 2.497 9.090 1.00 0.00 C ATOM 417 C LEU A 25 31.777 1.419 10.056 1.00 0.00 C ATOM 418 O LEU A 25 31.220 1.711 11.096 1.00 0.00 O ATOM 419 CB LEU A 25 31.314 2.653 7.912 1.00 0.00 C ATOM 420 CG LEU A 25 30.781 4.086 7.872 1.00 0.00 C ATOM 421 CD1 LEU A 25 30.142 4.431 9.218 1.00 0.00 C ATOM 422 CD2 LEU A 25 31.938 5.049 7.596 1.00 0.00 C ATOM 0 H LEU A 25 33.559 1.994 7.464 1.00 0.00 H new ATOM 0 HA LEU A 25 32.363 3.420 9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 25 31.826 2.418 6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 25 30.487 1.949 8.008 1.00 0.00 H new ATOM 0 HG LEU A 25 30.034 4.175 7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 25 29.762 5.452 9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 25 29.320 3.744 9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 25 30.888 4.343 10.008 1.00 0.00 H new ATOM 0 HD21 LEU A 25 31.561 6.071 7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 25 32.683 4.959 8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 25 32.395 4.803 6.637 1.00 0.00 H new ATOM 434 N GLU A 26 31.982 0.172 9.726 1.00 0.00 N ATOM 435 CA GLU A 26 31.528 -0.918 10.635 1.00 0.00 C ATOM 436 C GLU A 26 32.019 -0.637 12.055 1.00 0.00 C ATOM 437 O GLU A 26 31.265 -0.688 13.007 1.00 0.00 O ATOM 438 CB GLU A 26 32.172 -2.191 10.085 1.00 0.00 C ATOM 439 CG GLU A 26 32.069 -3.308 11.126 1.00 0.00 C ATOM 440 CD GLU A 26 32.566 -4.620 10.517 1.00 0.00 C ATOM 441 OE1 GLU A 26 33.697 -4.648 10.061 1.00 0.00 O ATOM 442 OE2 GLU A 26 31.807 -5.575 10.518 1.00 0.00 O ATOM 0 H GLU A 26 32.442 -0.137 8.870 1.00 0.00 H new ATOM 0 HA GLU A 26 30.442 -1.004 10.677 1.00 0.00 H new ATOM 0 HB2 GLU A 26 31.676 -2.493 9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 26 33.217 -2.005 9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 26 32.661 -3.056 12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 26 31.036 -3.417 11.457 1.00 0.00 H new ATOM 449 N LEU A 27 33.280 -0.331 12.203 1.00 0.00 N ATOM 450 CA LEU A 27 33.820 -0.035 13.561 1.00 0.00 C ATOM 451 C LEU A 27 33.241 1.286 14.075 1.00 0.00 C ATOM 452 O LEU A 27 33.071 1.483 15.262 1.00 0.00 O ATOM 453 CB LEU A 27 35.333 0.079 13.368 1.00 0.00 C ATOM 454 CG LEU A 27 35.978 -1.293 13.567 1.00 0.00 C ATOM 455 CD1 LEU A 27 37.261 -1.380 12.739 1.00 0.00 C ATOM 456 CD2 LEU A 27 36.313 -1.487 15.047 1.00 0.00 C ATOM 0 H LEU A 27 33.958 -0.273 11.443 1.00 0.00 H new ATOM 0 HA LEU A 27 33.561 -0.803 14.290 1.00 0.00 H new ATOM 0 HB2 LEU A 27 35.555 0.456 12.370 1.00 0.00 H new ATOM 0 HB3 LEU A 27 35.748 0.794 14.078 1.00 0.00 H new ATOM 0 HG LEU A 27 35.285 -2.070 13.245 1.00 0.00 H new ATOM 0 HD11 LEU A 27 37.720 -2.358 12.881 1.00 0.00 H new ATOM 0 HD12 LEU A 27 37.024 -1.241 11.684 1.00 0.00 H new ATOM 0 HD13 LEU A 27 37.955 -0.603 13.060 1.00 0.00 H new ATOM 0 HD21 LEU A 27 36.773 -2.465 15.191 1.00 0.00 H new ATOM 0 HD22 LEU A 27 37.006 -0.709 15.368 1.00 0.00 H new ATOM 0 HD23 LEU A 27 35.399 -1.425 15.638 1.00 0.00 H new ATOM 468 N LYS A 28 32.935 2.193 13.186 1.00 0.00 N ATOM 469 CA LYS A 28 32.363 3.501 13.616 1.00 0.00 C ATOM 470 C LYS A 28 31.001 3.284 14.285 1.00 0.00 C ATOM 471 O LYS A 28 30.628 3.990 15.200 1.00 0.00 O ATOM 472 CB LYS A 28 32.216 4.307 12.321 1.00 0.00 C ATOM 473 CG LYS A 28 31.191 5.429 12.515 1.00 0.00 C ATOM 474 CD LYS A 28 31.731 6.448 13.519 1.00 0.00 C ATOM 475 CE LYS A 28 31.887 7.808 12.833 1.00 0.00 C ATOM 476 NZ LYS A 28 31.776 8.809 13.931 1.00 0.00 N ATOM 0 H LYS A 28 33.057 2.084 12.179 1.00 0.00 H new ATOM 0 HA LYS A 28 32.990 4.016 14.344 1.00 0.00 H new ATOM 0 HB2 LYS A 28 33.179 4.729 12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 28 31.901 3.652 11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 28 30.985 5.916 11.562 1.00 0.00 H new ATOM 0 HG3 LYS A 28 30.248 5.016 12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 28 31.052 6.533 14.368 1.00 0.00 H new ATOM 0 HD3 LYS A 28 32.692 6.114 13.911 1.00 0.00 H new ATOM 0 HE2 LYS A 28 32.848 7.885 12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 28 31.114 7.961 12.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 31.873 9.767 13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 30.849 8.716 14.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 32.529 8.643 14.629 1.00 0.00 H new ATOM 490 N ASP A 29 30.257 2.311 13.833 1.00 0.00 N ATOM 491 CA ASP A 29 28.922 2.049 14.442 1.00 0.00 C ATOM 492 C ASP A 29 29.073 1.211 15.715 1.00 0.00 C ATOM 493 O ASP A 29 28.489 1.508 16.738 1.00 0.00 O ATOM 494 CB ASP A 29 28.148 1.270 13.377 1.00 0.00 C ATOM 495 CG ASP A 29 26.926 2.080 12.940 1.00 0.00 C ATOM 496 OD1 ASP A 29 26.247 2.605 13.806 1.00 0.00 O ATOM 497 OD2 ASP A 29 26.689 2.160 11.745 1.00 0.00 O ATOM 0 H ASP A 29 30.516 1.687 13.069 1.00 0.00 H new ATOM 0 HA ASP A 29 28.412 2.969 14.728 1.00 0.00 H new ATOM 0 HB2 ASP A 29 28.790 1.069 12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 29 27.835 0.304 13.773 1.00 0.00 H new ATOM 502 N ALA A 30 29.852 0.166 15.659 1.00 0.00 N ATOM 503 CA ALA A 30 30.040 -0.692 16.866 1.00 0.00 C ATOM 504 C ALA A 30 30.624 0.130 18.019 1.00 0.00 C ATOM 505 O ALA A 30 30.573 -0.271 19.165 1.00 0.00 O ATOM 506 CB ALA A 30 31.023 -1.778 16.429 1.00 0.00 C ATOM 0 H ALA A 30 30.367 -0.132 14.830 1.00 0.00 H new ATOM 0 HA ALA A 30 29.100 -1.112 17.224 1.00 0.00 H new ATOM 0 HB1 ALA A 30 31.214 -2.453 17.263 1.00 0.00 H new ATOM 0 HB2 ALA A 30 30.598 -2.340 15.598 1.00 0.00 H new ATOM 0 HB3 ALA A 30 31.959 -1.316 16.114 1.00 0.00 H new ATOM 512 N GLN A 31 31.179 1.274 17.726 1.00 0.00 N ATOM 513 CA GLN A 31 31.765 2.116 18.809 1.00 0.00 C ATOM 514 C GLN A 31 30.835 3.289 19.133 1.00 0.00 C ATOM 515 O GLN A 31 31.112 4.091 20.003 1.00 0.00 O ATOM 516 CB GLN A 31 33.091 2.624 18.243 1.00 0.00 C ATOM 517 CG GLN A 31 34.242 2.148 19.131 1.00 0.00 C ATOM 518 CD GLN A 31 34.996 3.359 19.682 1.00 0.00 C ATOM 519 OE1 GLN A 31 34.439 4.432 19.805 1.00 0.00 O ATOM 520 NE2 GLN A 31 36.250 3.233 20.021 1.00 0.00 N ATOM 0 H GLN A 31 31.252 1.662 16.786 1.00 0.00 H new ATOM 0 HA GLN A 31 31.904 1.558 19.735 1.00 0.00 H new ATOM 0 HB2 GLN A 31 33.228 2.258 17.225 1.00 0.00 H new ATOM 0 HB3 GLN A 31 33.083 3.713 18.192 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.856 1.543 19.951 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.919 1.514 18.558 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.718 2.333 19.918 1.00 0.00 H new ATOM 0 HE22 GLN A 31 36.762 4.035 20.389 1.00 0.00 H new ATOM 606 N TYR B 4 27.933 -9.294 -10.813 1.00 0.00 N ATOM 607 CA TYR B 4 27.825 -8.026 -10.035 1.00 0.00 C ATOM 608 C TYR B 4 28.280 -8.249 -8.590 1.00 0.00 C ATOM 609 O TYR B 4 28.805 -9.291 -8.248 1.00 0.00 O ATOM 610 CB TYR B 4 26.341 -7.662 -10.079 1.00 0.00 C ATOM 611 CG TYR B 4 25.545 -8.707 -9.334 1.00 0.00 C ATOM 612 CD1 TYR B 4 25.256 -9.934 -9.945 1.00 0.00 C ATOM 613 CD2 TYR B 4 25.095 -8.449 -8.034 1.00 0.00 C ATOM 614 CE1 TYR B 4 24.518 -10.902 -9.254 1.00 0.00 C ATOM 615 CE2 TYR B 4 24.357 -9.418 -7.343 1.00 0.00 C ATOM 616 CZ TYR B 4 24.068 -10.645 -7.953 1.00 0.00 C ATOM 617 OH TYR B 4 23.341 -11.600 -7.273 1.00 0.00 O ATOM 0 HA TYR B 4 28.453 -7.235 -10.446 1.00 0.00 H new ATOM 0 HB2 TYR B 4 26.183 -6.681 -9.631 1.00 0.00 H new ATOM 0 HB3 TYR B 4 26.001 -7.599 -11.113 1.00 0.00 H new ATOM 0 HD1 TYR B 4 25.602 -10.133 -10.948 1.00 0.00 H new ATOM 0 HD2 TYR B 4 25.317 -7.502 -7.564 1.00 0.00 H new ATOM 0 HE1 TYR B 4 24.295 -11.848 -9.725 1.00 0.00 H new ATOM 0 HE2 TYR B 4 24.011 -9.219 -6.340 1.00 0.00 H new ATOM 0 HH TYR B 4 23.108 -11.262 -6.383 1.00 0.00 H new ATOM 627 N PHE B 5 28.083 -7.279 -7.740 1.00 0.00 N ATOM 628 CA PHE B 5 28.505 -7.436 -6.318 1.00 0.00 C ATOM 629 C PHE B 5 27.379 -6.990 -5.381 1.00 0.00 C ATOM 630 O PHE B 5 26.394 -6.420 -5.806 1.00 0.00 O ATOM 631 CB PHE B 5 29.724 -6.527 -6.162 1.00 0.00 C ATOM 632 CG PHE B 5 30.783 -6.929 -7.159 1.00 0.00 C ATOM 633 CD1 PHE B 5 31.407 -8.178 -7.053 1.00 0.00 C ATOM 634 CD2 PHE B 5 31.144 -6.052 -8.189 1.00 0.00 C ATOM 635 CE1 PHE B 5 32.390 -8.550 -7.978 1.00 0.00 C ATOM 636 CE2 PHE B 5 32.127 -6.424 -9.114 1.00 0.00 C ATOM 637 CZ PHE B 5 32.750 -7.674 -9.008 1.00 0.00 C ATOM 0 H PHE B 5 27.648 -6.385 -7.968 1.00 0.00 H new ATOM 0 HA PHE B 5 28.736 -8.472 -6.068 1.00 0.00 H new ATOM 0 HB2 PHE B 5 29.438 -5.487 -6.319 1.00 0.00 H new ATOM 0 HB3 PHE B 5 30.118 -6.600 -5.148 1.00 0.00 H new ATOM 0 HD1 PHE B 5 31.130 -8.854 -6.258 1.00 0.00 H new ATOM 0 HD2 PHE B 5 30.664 -5.088 -8.270 1.00 0.00 H new ATOM 0 HE1 PHE B 5 32.871 -9.514 -7.896 1.00 0.00 H new ATOM 0 HE2 PHE B 5 32.405 -5.748 -9.909 1.00 0.00 H new ATOM 0 HZ PHE B 5 33.508 -7.962 -9.721 1.00 0.00 H new ATOM 647 N THR B 6 27.519 -7.244 -4.108 1.00 0.00 N ATOM 648 CA THR B 6 26.457 -6.833 -3.145 1.00 0.00 C ATOM 649 C THR B 6 27.030 -6.755 -1.728 1.00 0.00 C ATOM 650 O THR B 6 28.038 -7.360 -1.421 1.00 0.00 O ATOM 651 CB THR B 6 25.396 -7.931 -3.234 1.00 0.00 C ATOM 652 OG1 THR B 6 24.694 -7.810 -4.463 1.00 0.00 O ATOM 653 CG2 THR B 6 24.415 -7.792 -2.068 1.00 0.00 C ATOM 0 H THR B 6 28.322 -7.718 -3.694 1.00 0.00 H new ATOM 0 HA THR B 6 26.047 -5.850 -3.377 1.00 0.00 H new ATOM 0 HB THR B 6 25.878 -8.907 -3.185 1.00 0.00 H new ATOM 0 HG1 THR B 6 25.041 -7.043 -4.964 1.00 0.00 H new ATOM 0 HG21 THR B 6 23.660 -8.575 -2.133 1.00 0.00 H new ATOM 0 HG22 THR B 6 24.955 -7.885 -1.125 1.00 0.00 H new ATOM 0 HG23 THR B 6 23.931 -6.816 -2.114 1.00 0.00 H new ATOM 661 N LEU B 7 26.395 -6.014 -0.862 1.00 0.00 N ATOM 662 CA LEU B 7 26.903 -5.898 0.535 1.00 0.00 C ATOM 663 C LEU B 7 25.739 -5.956 1.527 1.00 0.00 C ATOM 664 O LEU B 7 24.624 -5.590 1.211 1.00 0.00 O ATOM 665 CB LEU B 7 27.591 -4.534 0.594 1.00 0.00 C ATOM 666 CG LEU B 7 28.970 -4.686 1.238 1.00 0.00 C ATOM 667 CD1 LEU B 7 29.996 -5.060 0.167 1.00 0.00 C ATOM 668 CD2 LEU B 7 29.375 -3.363 1.892 1.00 0.00 C ATOM 0 H LEU B 7 25.547 -5.484 -1.061 1.00 0.00 H new ATOM 0 HA LEU B 7 27.583 -6.709 0.796 1.00 0.00 H new ATOM 0 HB2 LEU B 7 27.690 -4.121 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU B 7 26.985 -3.834 1.168 1.00 0.00 H new ATOM 0 HG LEU B 7 28.933 -5.470 1.994 1.00 0.00 H new ATOM 0 HD11 LEU B 7 30.979 -5.168 0.626 1.00 0.00 H new ATOM 0 HD12 LEU B 7 29.708 -6.002 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU B 7 30.034 -4.277 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU B 7 30.358 -3.470 2.351 1.00 0.00 H new ATOM 0 HD22 LEU B 7 29.412 -2.579 1.135 1.00 0.00 H new ATOM 0 HD23 LEU B 7 28.645 -3.096 2.656 1.00 0.00 H new ATOM 680 N GLN B 8 25.986 -6.416 2.723 1.00 0.00 N ATOM 681 CA GLN B 8 24.889 -6.498 3.730 1.00 0.00 C ATOM 682 C GLN B 8 25.254 -5.697 4.982 1.00 0.00 C ATOM 683 O GLN B 8 26.324 -5.846 5.537 1.00 0.00 O ATOM 684 CB GLN B 8 24.767 -7.985 4.063 1.00 0.00 C ATOM 685 CG GLN B 8 24.775 -8.801 2.769 1.00 0.00 C ATOM 686 CD GLN B 8 24.035 -10.121 2.993 1.00 0.00 C ATOM 687 OE1 GLN B 8 24.590 -11.059 3.530 1.00 0.00 O ATOM 688 NE2 GLN B 8 22.795 -10.233 2.602 1.00 0.00 N ATOM 0 H GLN B 8 26.898 -6.738 3.046 1.00 0.00 H new ATOM 0 HA GLN B 8 23.953 -6.085 3.353 1.00 0.00 H new ATOM 0 HB2 GLN B 8 25.592 -8.294 4.705 1.00 0.00 H new ATOM 0 HB3 GLN B 8 23.846 -8.170 4.616 1.00 0.00 H new ATOM 0 HG2 GLN B 8 24.299 -8.236 1.968 1.00 0.00 H new ATOM 0 HG3 GLN B 8 25.801 -8.996 2.456 1.00 0.00 H new ATOM 0 HE21 GLN B 8 22.329 -9.445 2.151 1.00 0.00 H new ATOM 0 HE22 GLN B 8 22.292 -11.108 2.747 1.00 0.00 H new ATOM 697 N ILE B 9 24.369 -4.851 5.432 1.00 0.00 N ATOM 698 CA ILE B 9 24.660 -4.042 6.651 1.00 0.00 C ATOM 699 C ILE B 9 23.546 -4.233 7.683 1.00 0.00 C ATOM 700 O ILE B 9 22.481 -4.729 7.374 1.00 0.00 O ATOM 701 CB ILE B 9 24.703 -2.593 6.166 1.00 0.00 C ATOM 702 CG1 ILE B 9 25.827 -2.433 5.139 1.00 0.00 C ATOM 703 CG2 ILE B 9 24.963 -1.665 7.354 1.00 0.00 C ATOM 704 CD1 ILE B 9 25.226 -2.103 3.771 1.00 0.00 C ATOM 0 H ILE B 9 23.456 -4.684 5.009 1.00 0.00 H new ATOM 0 HA ILE B 9 25.594 -4.335 7.131 1.00 0.00 H new ATOM 0 HB ILE B 9 23.749 -2.335 5.705 1.00 0.00 H new ATOM 0 HG12 ILE B 9 26.508 -1.640 5.450 1.00 0.00 H new ATOM 0 HG13 ILE B 9 26.412 -3.350 5.079 1.00 0.00 H new ATOM 0 HG21 ILE B 9 24.994 -0.632 7.009 1.00 0.00 H new ATOM 0 HG22 ILE B 9 24.164 -1.779 8.087 1.00 0.00 H new ATOM 0 HG23 ILE B 9 25.917 -1.922 7.815 1.00 0.00 H new ATOM 0 HD11 ILE B 9 26.026 -1.989 3.040 1.00 0.00 H new ATOM 0 HD12 ILE B 9 24.563 -2.911 3.460 1.00 0.00 H new ATOM 0 HD13 ILE B 9 24.660 -1.174 3.837 1.00 0.00 H new ATOM 716 N ARG B 10 23.782 -3.845 8.906 1.00 0.00 N ATOM 717 CA ARG B 10 22.731 -4.009 9.953 1.00 0.00 C ATOM 718 C ARG B 10 22.422 -2.661 10.610 1.00 0.00 C ATOM 719 O ARG B 10 21.305 -2.398 11.010 1.00 0.00 O ATOM 720 CB ARG B 10 23.334 -4.976 10.971 1.00 0.00 C ATOM 721 CG ARG B 10 22.351 -5.177 12.126 1.00 0.00 C ATOM 722 CD ARG B 10 23.040 -4.836 13.449 1.00 0.00 C ATOM 723 NE ARG B 10 22.044 -5.183 14.501 1.00 0.00 N ATOM 724 CZ ARG B 10 22.386 -5.146 15.759 1.00 0.00 C ATOM 725 NH1 ARG B 10 23.150 -4.184 16.200 1.00 0.00 N ATOM 726 NH2 ARG B 10 21.965 -6.072 16.577 1.00 0.00 N ATOM 0 H ARG B 10 24.654 -3.423 9.226 1.00 0.00 H new ATOM 0 HA ARG B 10 21.793 -4.383 9.541 1.00 0.00 H new ATOM 0 HB2 ARG B 10 23.553 -5.932 10.495 1.00 0.00 H new ATOM 0 HB3 ARG B 10 24.279 -4.583 11.347 1.00 0.00 H new ATOM 0 HG2 ARG B 10 21.475 -4.544 11.986 1.00 0.00 H new ATOM 0 HG3 ARG B 10 21.999 -6.208 12.142 1.00 0.00 H new ATOM 0 HD2 ARG B 10 23.961 -5.406 13.573 1.00 0.00 H new ATOM 0 HD3 ARG B 10 23.310 -3.781 13.493 1.00 0.00 H new ATOM 0 HE ARG B 10 21.095 -5.449 14.238 1.00 0.00 H new ATOM 0 HH11 ARG B 10 23.480 -3.461 15.561 1.00 0.00 H new ATOM 0 HH12 ARG B 10 23.417 -4.155 17.184 1.00 0.00 H new ATOM 0 HH21 ARG B 10 21.369 -6.824 16.232 1.00 0.00 H new ATOM 0 HH22 ARG B 10 22.232 -6.043 17.561 1.00 0.00 H new ATOM 740 N GLY B 11 23.401 -1.807 10.724 1.00 0.00 N ATOM 741 CA GLY B 11 23.161 -0.479 11.355 1.00 0.00 C ATOM 742 C GLY B 11 22.912 0.565 10.265 1.00 0.00 C ATOM 743 O GLY B 11 23.703 0.728 9.357 1.00 0.00 O ATOM 0 H GLY B 11 24.357 -1.971 10.408 1.00 0.00 H new ATOM 0 HA2 GLY B 11 22.303 -0.532 12.025 1.00 0.00 H new ATOM 0 HA3 GLY B 11 24.021 -0.191 11.960 1.00 0.00 H new ATOM 747 N ARG B 12 21.818 1.272 10.345 1.00 0.00 N ATOM 748 CA ARG B 12 21.523 2.303 9.309 1.00 0.00 C ATOM 749 C ARG B 12 22.458 3.504 9.474 1.00 0.00 C ATOM 750 O ARG B 12 22.630 4.298 8.570 1.00 0.00 O ATOM 751 CB ARG B 12 20.072 2.714 9.557 1.00 0.00 C ATOM 752 CG ARG B 12 19.564 3.528 8.366 1.00 0.00 C ATOM 753 CD ARG B 12 18.250 2.929 7.860 1.00 0.00 C ATOM 754 NE ARG B 12 17.281 4.060 7.884 1.00 0.00 N ATOM 755 CZ ARG B 12 16.223 4.029 7.120 1.00 0.00 C ATOM 756 NH1 ARG B 12 16.285 4.490 5.901 1.00 0.00 N ATOM 757 NH2 ARG B 12 15.103 3.538 7.576 1.00 0.00 N ATOM 0 H ARG B 12 21.117 1.181 11.081 1.00 0.00 H new ATOM 0 HA ARG B 12 21.671 1.924 8.298 1.00 0.00 H new ATOM 0 HB2 ARG B 12 19.451 1.829 9.698 1.00 0.00 H new ATOM 0 HB3 ARG B 12 20.001 3.303 10.471 1.00 0.00 H new ATOM 0 HG2 ARG B 12 19.413 4.567 8.660 1.00 0.00 H new ATOM 0 HG3 ARG B 12 20.307 3.527 7.568 1.00 0.00 H new ATOM 0 HD2 ARG B 12 18.361 2.525 6.854 1.00 0.00 H new ATOM 0 HD3 ARG B 12 17.917 2.110 8.498 1.00 0.00 H new ATOM 0 HE ARG B 12 17.444 4.859 8.497 1.00 0.00 H new ATOM 0 HH11 ARG B 12 17.160 4.875 5.545 1.00 0.00 H new ATOM 0 HH12 ARG B 12 15.458 4.466 5.304 1.00 0.00 H new ATOM 0 HH21 ARG B 12 15.054 3.179 8.529 1.00 0.00 H new ATOM 0 HH22 ARG B 12 14.276 3.514 6.979 1.00 0.00 H new ATOM 771 N GLU B 13 23.064 3.643 10.621 1.00 0.00 N ATOM 772 CA GLU B 13 23.987 4.794 10.841 1.00 0.00 C ATOM 773 C GLU B 13 25.114 4.771 9.805 1.00 0.00 C ATOM 774 O GLU B 13 25.344 5.737 9.104 1.00 0.00 O ATOM 775 CB GLU B 13 24.549 4.588 12.248 1.00 0.00 C ATOM 776 CG GLU B 13 24.095 5.736 13.152 1.00 0.00 C ATOM 777 CD GLU B 13 24.603 7.064 12.587 1.00 0.00 C ATOM 778 OE1 GLU B 13 23.914 7.634 11.757 1.00 0.00 O ATOM 779 OE2 GLU B 13 25.672 7.488 12.994 1.00 0.00 O ATOM 0 H GLU B 13 22.961 3.011 11.415 1.00 0.00 H new ATOM 0 HA GLU B 13 23.481 5.754 10.741 1.00 0.00 H new ATOM 0 HB2 GLU B 13 24.206 3.635 12.652 1.00 0.00 H new ATOM 0 HB3 GLU B 13 25.638 4.547 12.214 1.00 0.00 H new ATOM 0 HG2 GLU B 13 23.007 5.750 13.220 1.00 0.00 H new ATOM 0 HG3 GLU B 13 24.476 5.589 14.163 1.00 0.00 H new ATOM 786 N ARG B 14 25.816 3.676 9.699 1.00 0.00 N ATOM 787 CA ARG B 14 26.923 3.596 8.705 1.00 0.00 C ATOM 788 C ARG B 14 26.362 3.275 7.319 1.00 0.00 C ATOM 789 O ARG B 14 26.861 3.743 6.315 1.00 0.00 O ATOM 790 CB ARG B 14 27.822 2.462 9.197 1.00 0.00 C ATOM 791 CG ARG B 14 27.061 1.138 9.121 1.00 0.00 C ATOM 792 CD ARG B 14 27.977 -0.001 9.571 1.00 0.00 C ATOM 793 NE ARG B 14 27.091 -1.192 9.661 1.00 0.00 N ATOM 794 CZ ARG B 14 27.611 -2.386 9.733 1.00 0.00 C ATOM 795 NH1 ARG B 14 28.369 -2.827 8.768 1.00 0.00 N ATOM 796 NH2 ARG B 14 27.372 -3.140 10.772 1.00 0.00 N ATOM 0 H ARG B 14 25.671 2.835 10.257 1.00 0.00 H new ATOM 0 HA ARG B 14 27.469 4.536 8.618 1.00 0.00 H new ATOM 0 HB2 ARG B 14 28.725 2.410 8.589 1.00 0.00 H new ATOM 0 HB3 ARG B 14 28.139 2.653 10.222 1.00 0.00 H new ATOM 0 HG2 ARG B 14 26.175 1.178 9.754 1.00 0.00 H new ATOM 0 HG3 ARG B 14 26.717 0.962 8.102 1.00 0.00 H new ATOM 0 HD2 ARG B 14 28.785 -0.163 8.858 1.00 0.00 H new ATOM 0 HD3 ARG B 14 28.440 0.221 10.533 1.00 0.00 H new ATOM 0 HE ARG B 14 26.078 -1.075 9.666 1.00 0.00 H new ATOM 0 HH11 ARG B 14 28.556 -2.238 7.956 1.00 0.00 H new ATOM 0 HH12 ARG B 14 28.775 -3.761 8.825 1.00 0.00 H new ATOM 0 HH21 ARG B 14 26.779 -2.795 11.527 1.00 0.00 H new ATOM 0 HH22 ARG B 14 27.778 -4.074 10.829 1.00 0.00 H new ATOM 810 N PHE B 15 25.324 2.488 7.250 1.00 0.00 N ATOM 811 CA PHE B 15 24.739 2.158 5.920 1.00 0.00 C ATOM 812 C PHE B 15 24.362 3.450 5.196 1.00 0.00 C ATOM 813 O PHE B 15 24.708 3.655 4.050 1.00 0.00 O ATOM 814 CB PHE B 15 23.493 1.325 6.217 1.00 0.00 C ATOM 815 CG PHE B 15 22.660 1.214 4.963 1.00 0.00 C ATOM 816 CD1 PHE B 15 21.845 2.281 4.567 1.00 0.00 C ATOM 817 CD2 PHE B 15 22.706 0.045 4.192 1.00 0.00 C ATOM 818 CE1 PHE B 15 21.075 2.180 3.402 1.00 0.00 C ATOM 819 CE2 PHE B 15 21.936 -0.055 3.027 1.00 0.00 C ATOM 820 CZ PHE B 15 21.121 1.012 2.632 1.00 0.00 C ATOM 0 H PHE B 15 24.858 2.062 8.051 1.00 0.00 H new ATOM 0 HA PHE B 15 25.436 1.615 5.282 1.00 0.00 H new ATOM 0 HB2 PHE B 15 23.779 0.333 6.567 1.00 0.00 H new ATOM 0 HB3 PHE B 15 22.912 1.789 7.014 1.00 0.00 H new ATOM 0 HD1 PHE B 15 21.810 3.183 5.160 1.00 0.00 H new ATOM 0 HD2 PHE B 15 23.335 -0.778 4.496 1.00 0.00 H new ATOM 0 HE1 PHE B 15 20.446 3.003 3.098 1.00 0.00 H new ATOM 0 HE2 PHE B 15 21.971 -0.956 2.433 1.00 0.00 H new ATOM 0 HZ PHE B 15 20.528 0.934 1.733 1.00 0.00 H new ATOM 830 N GLU B 16 23.664 4.330 5.862 1.00 0.00 N ATOM 831 CA GLU B 16 23.279 5.614 5.213 1.00 0.00 C ATOM 832 C GLU B 16 24.505 6.225 4.535 1.00 0.00 C ATOM 833 O GLU B 16 24.428 6.743 3.439 1.00 0.00 O ATOM 834 CB GLU B 16 22.789 6.508 6.353 1.00 0.00 C ATOM 835 CG GLU B 16 21.386 6.071 6.777 1.00 0.00 C ATOM 836 CD GLU B 16 20.348 6.994 6.135 1.00 0.00 C ATOM 837 OE1 GLU B 16 20.491 7.287 4.960 1.00 0.00 O ATOM 838 OE2 GLU B 16 19.427 7.391 6.830 1.00 0.00 O ATOM 0 H GLU B 16 23.345 4.215 6.824 1.00 0.00 H new ATOM 0 HA GLU B 16 22.512 5.487 4.449 1.00 0.00 H new ATOM 0 HB2 GLU B 16 23.473 6.444 7.199 1.00 0.00 H new ATOM 0 HB3 GLU B 16 22.776 7.550 6.032 1.00 0.00 H new ATOM 0 HG2 GLU B 16 21.208 5.039 6.474 1.00 0.00 H new ATOM 0 HG3 GLU B 16 21.296 6.104 7.863 1.00 0.00 H new ATOM 845 N GLN B 17 25.640 6.155 5.176 1.00 0.00 N ATOM 846 CA GLN B 17 26.876 6.716 4.565 1.00 0.00 C ATOM 847 C GLN B 17 27.148 6.017 3.232 1.00 0.00 C ATOM 848 O GLN B 17 27.505 6.639 2.253 1.00 0.00 O ATOM 849 CB GLN B 17 27.990 6.415 5.569 1.00 0.00 C ATOM 850 CG GLN B 17 28.377 7.698 6.307 1.00 0.00 C ATOM 851 CD GLN B 17 27.150 8.268 7.019 1.00 0.00 C ATOM 852 OE1 GLN B 17 26.221 8.724 6.382 1.00 0.00 O ATOM 853 NE2 GLN B 17 27.105 8.262 8.324 1.00 0.00 N ATOM 0 H GLN B 17 25.764 5.733 6.096 1.00 0.00 H new ATOM 0 HA GLN B 17 26.797 7.784 4.363 1.00 0.00 H new ATOM 0 HB2 GLN B 17 27.657 5.660 6.281 1.00 0.00 H new ATOM 0 HB3 GLN B 17 28.858 6.005 5.052 1.00 0.00 H new ATOM 0 HG2 GLN B 17 29.166 7.490 7.030 1.00 0.00 H new ATOM 0 HG3 GLN B 17 28.774 8.429 5.603 1.00 0.00 H new ATOM 0 HE21 GLN B 17 27.884 7.879 8.859 1.00 0.00 H new ATOM 0 HE22 GLN B 17 26.290 8.640 8.808 1.00 0.00 H new ATOM 862 N PHE B 18 26.969 4.723 3.188 1.00 0.00 N ATOM 863 CA PHE B 18 27.204 3.979 1.919 1.00 0.00 C ATOM 864 C PHE B 18 26.123 4.339 0.897 1.00 0.00 C ATOM 865 O PHE B 18 26.414 4.733 -0.215 1.00 0.00 O ATOM 866 CB PHE B 18 27.113 2.499 2.298 1.00 0.00 C ATOM 867 CG PHE B 18 28.187 2.156 3.306 1.00 0.00 C ATOM 868 CD1 PHE B 18 29.357 2.925 3.384 1.00 0.00 C ATOM 869 CD2 PHE B 18 28.013 1.062 4.163 1.00 0.00 C ATOM 870 CE1 PHE B 18 30.349 2.599 4.317 1.00 0.00 C ATOM 871 CE2 PHE B 18 29.006 0.738 5.096 1.00 0.00 C ATOM 872 CZ PHE B 18 30.173 1.506 5.172 1.00 0.00 C ATOM 0 H PHE B 18 26.670 4.150 3.977 1.00 0.00 H new ATOM 0 HA PHE B 18 28.167 4.221 1.469 1.00 0.00 H new ATOM 0 HB2 PHE B 18 26.129 2.282 2.714 1.00 0.00 H new ATOM 0 HB3 PHE B 18 27.227 1.880 1.408 1.00 0.00 H new ATOM 0 HD1 PHE B 18 29.493 3.769 2.724 1.00 0.00 H new ATOM 0 HD2 PHE B 18 27.113 0.468 4.104 1.00 0.00 H new ATOM 0 HE1 PHE B 18 31.250 3.191 4.376 1.00 0.00 H new ATOM 0 HE2 PHE B 18 28.871 -0.105 5.757 1.00 0.00 H new ATOM 0 HZ PHE B 18 30.938 1.255 5.891 1.00 0.00 H new ATOM 882 N ARG B 19 24.876 4.215 1.267 1.00 0.00 N ATOM 883 CA ARG B 19 23.783 4.560 0.313 1.00 0.00 C ATOM 884 C ARG B 19 24.118 5.872 -0.397 1.00 0.00 C ATOM 885 O ARG B 19 24.334 5.905 -1.592 1.00 0.00 O ATOM 886 CB ARG B 19 22.532 4.720 1.177 1.00 0.00 C ATOM 887 CG ARG B 19 21.297 4.811 0.277 1.00 0.00 C ATOM 888 CD ARG B 19 21.056 3.460 -0.399 1.00 0.00 C ATOM 889 NE ARG B 19 20.543 3.794 -1.756 1.00 0.00 N ATOM 890 CZ ARG B 19 19.871 2.906 -2.436 1.00 0.00 C ATOM 891 NH1 ARG B 19 18.875 2.274 -1.878 1.00 0.00 N ATOM 892 NH2 ARG B 19 20.195 2.650 -3.674 1.00 0.00 N ATOM 0 H ARG B 19 24.568 3.891 2.184 1.00 0.00 H new ATOM 0 HA ARG B 19 23.644 3.800 -0.456 1.00 0.00 H new ATOM 0 HB2 ARG B 19 22.437 3.874 1.858 1.00 0.00 H new ATOM 0 HB3 ARG B 19 22.614 5.617 1.792 1.00 0.00 H new ATOM 0 HG2 ARG B 19 20.425 5.095 0.866 1.00 0.00 H new ATOM 0 HG3 ARG B 19 21.439 5.586 -0.476 1.00 0.00 H new ATOM 0 HD2 ARG B 19 21.976 2.878 -0.457 1.00 0.00 H new ATOM 0 HD3 ARG B 19 20.335 2.862 0.159 1.00 0.00 H new ATOM 0 HE ARG B 19 20.717 4.717 -2.154 1.00 0.00 H new ATOM 0 HH11 ARG B 19 18.622 2.474 -0.910 1.00 0.00 H new ATOM 0 HH12 ARG B 19 18.350 1.580 -2.409 1.00 0.00 H new ATOM 0 HH21 ARG B 19 20.974 3.144 -4.110 1.00 0.00 H new ATOM 0 HH22 ARG B 19 19.670 1.956 -4.206 1.00 0.00 H new ATOM 906 N GLU B 20 24.176 6.954 0.332 1.00 0.00 N ATOM 907 CA GLU B 20 24.512 8.257 -0.304 1.00 0.00 C ATOM 908 C GLU B 20 25.773 8.098 -1.154 1.00 0.00 C ATOM 909 O GLU B 20 25.907 8.691 -2.206 1.00 0.00 O ATOM 910 CB GLU B 20 24.762 9.216 0.860 1.00 0.00 C ATOM 911 CG GLU B 20 24.693 10.659 0.357 1.00 0.00 C ATOM 912 CD GLU B 20 25.049 11.616 1.496 1.00 0.00 C ATOM 913 OE1 GLU B 20 26.127 11.472 2.048 1.00 0.00 O ATOM 914 OE2 GLU B 20 24.237 12.475 1.797 1.00 0.00 O ATOM 0 H GLU B 20 24.006 6.991 1.337 1.00 0.00 H new ATOM 0 HA GLU B 20 23.722 8.622 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU B 20 24.020 9.057 1.642 1.00 0.00 H new ATOM 0 HB3 GLU B 20 25.739 9.020 1.303 1.00 0.00 H new ATOM 0 HG2 GLU B 20 25.381 10.798 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU B 20 23.692 10.878 -0.016 1.00 0.00 H new ATOM 921 N ARG B 21 26.696 7.289 -0.708 1.00 0.00 N ATOM 922 CA ARG B 21 27.946 7.077 -1.491 1.00 0.00 C ATOM 923 C ARG B 21 27.622 6.329 -2.786 1.00 0.00 C ATOM 924 O ARG B 21 28.038 6.717 -3.859 1.00 0.00 O ATOM 925 CB ARG B 21 28.842 6.229 -0.588 1.00 0.00 C ATOM 926 CG ARG B 21 30.290 6.709 -0.706 1.00 0.00 C ATOM 927 CD ARG B 21 30.439 8.060 -0.002 1.00 0.00 C ATOM 928 NE ARG B 21 30.401 7.741 1.453 1.00 0.00 N ATOM 929 CZ ARG B 21 31.452 7.954 2.196 1.00 0.00 C ATOM 930 NH1 ARG B 21 31.919 9.165 2.334 1.00 0.00 N ATOM 931 NH2 ARG B 21 32.037 6.957 2.802 1.00 0.00 N ATOM 0 H ARG B 21 26.638 6.766 0.166 1.00 0.00 H new ATOM 0 HA ARG B 21 28.429 8.013 -1.771 1.00 0.00 H new ATOM 0 HB2 ARG B 21 28.507 6.303 0.447 1.00 0.00 H new ATOM 0 HB3 ARG B 21 28.772 5.179 -0.872 1.00 0.00 H new ATOM 0 HG2 ARG B 21 30.964 5.978 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG B 21 30.569 6.801 -1.756 1.00 0.00 H new ATOM 0 HD2 ARG B 21 31.375 8.547 -0.275 1.00 0.00 H new ATOM 0 HD3 ARG B 21 29.634 8.740 -0.278 1.00 0.00 H new ATOM 0 HE ARG B 21 29.553 7.356 1.868 1.00 0.00 H new ATOM 0 HH11 ARG B 21 31.462 9.945 1.861 1.00 0.00 H new ATOM 0 HH12 ARG B 21 32.741 9.332 2.915 1.00 0.00 H new ATOM 0 HH21 ARG B 21 31.673 6.010 2.695 1.00 0.00 H new ATOM 0 HH22 ARG B 21 32.859 7.124 3.383 1.00 0.00 H new ATOM 945 N ASN B 22 26.872 5.263 -2.693 1.00 0.00 N ATOM 946 CA ASN B 22 26.513 4.498 -3.920 1.00 0.00 C ATOM 947 C ASN B 22 26.102 5.466 -5.031 1.00 0.00 C ATOM 948 O ASN B 22 26.566 5.377 -6.150 1.00 0.00 O ATOM 949 CB ASN B 22 25.333 3.617 -3.509 1.00 0.00 C ATOM 950 CG ASN B 22 25.210 2.442 -4.481 1.00 0.00 C ATOM 951 OD1 ASN B 22 26.089 2.213 -5.289 1.00 0.00 O ATOM 952 ND2 ASN B 22 24.150 1.682 -4.438 1.00 0.00 N ATOM 0 H ASN B 22 26.494 4.891 -1.822 1.00 0.00 H new ATOM 0 HA ASN B 22 27.345 3.905 -4.301 1.00 0.00 H new ATOM 0 HB2 ASN B 22 25.477 3.249 -2.493 1.00 0.00 H new ATOM 0 HB3 ASN B 22 24.412 4.201 -3.509 1.00 0.00 H new ATOM 0 HD21 ASN B 22 24.059 0.896 -5.082 1.00 0.00 H new ATOM 0 HD22 ASN B 22 23.412 1.874 -3.760 1.00 0.00 H new ATOM 959 N GLU B 23 25.237 6.396 -4.727 1.00 0.00 N ATOM 960 CA GLU B 23 24.801 7.375 -5.763 1.00 0.00 C ATOM 961 C GLU B 23 26.004 8.179 -6.259 1.00 0.00 C ATOM 962 O GLU B 23 26.227 8.315 -7.446 1.00 0.00 O ATOM 963 CB GLU B 23 23.803 8.287 -5.048 1.00 0.00 C ATOM 964 CG GLU B 23 22.836 8.889 -6.070 1.00 0.00 C ATOM 965 CD GLU B 23 21.711 9.623 -5.338 1.00 0.00 C ATOM 966 OE1 GLU B 23 20.835 8.954 -4.817 1.00 0.00 O ATOM 967 OE2 GLU B 23 21.745 10.843 -5.311 1.00 0.00 O ATOM 0 H GLU B 23 24.814 6.520 -3.807 1.00 0.00 H new ATOM 0 HA GLU B 23 24.358 6.892 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU B 23 23.250 7.721 -4.298 1.00 0.00 H new ATOM 0 HB3 GLU B 23 24.333 9.081 -4.522 1.00 0.00 H new ATOM 0 HG2 GLU B 23 23.367 9.578 -6.727 1.00 0.00 H new ATOM 0 HG3 GLU B 23 22.421 8.103 -6.701 1.00 0.00 H new ATOM 974 N ALA B 24 26.785 8.710 -5.358 1.00 0.00 N ATOM 975 CA ALA B 24 27.977 9.501 -5.778 1.00 0.00 C ATOM 976 C ALA B 24 28.953 8.605 -6.543 1.00 0.00 C ATOM 977 O ALA B 24 29.290 8.866 -7.681 1.00 0.00 O ATOM 978 CB ALA B 24 28.607 9.991 -4.474 1.00 0.00 C ATOM 0 H ALA B 24 26.650 8.630 -4.350 1.00 0.00 H new ATOM 0 HA ALA B 24 27.716 10.328 -6.438 1.00 0.00 H new ATOM 0 HB1 ALA B 24 29.494 10.584 -4.699 1.00 0.00 H new ATOM 0 HB2 ALA B 24 27.888 10.605 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA B 24 28.889 9.134 -3.862 1.00 0.00 H new ATOM 984 N LEU B 25 29.406 7.547 -5.928 1.00 0.00 N ATOM 985 CA LEU B 25 30.356 6.632 -6.622 1.00 0.00 C ATOM 986 C LEU B 25 29.701 6.059 -7.882 1.00 0.00 C ATOM 987 O LEU B 25 30.342 5.877 -8.898 1.00 0.00 O ATOM 988 CB LEU B 25 30.647 5.524 -5.611 1.00 0.00 C ATOM 989 CG LEU B 25 32.149 5.475 -5.325 1.00 0.00 C ATOM 990 CD1 LEU B 25 32.916 5.315 -6.639 1.00 0.00 C ATOM 991 CD2 LEU B 25 32.578 6.774 -4.640 1.00 0.00 C ATOM 0 H LEU B 25 29.160 7.277 -4.976 1.00 0.00 H new ATOM 0 HA LEU B 25 31.268 7.138 -6.939 1.00 0.00 H new ATOM 0 HB2 LEU B 25 30.096 5.706 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU B 25 30.309 4.564 -6.001 1.00 0.00 H new ATOM 0 HG LEU B 25 32.367 4.629 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU B 25 33.986 5.280 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU B 25 32.610 4.390 -7.129 1.00 0.00 H new ATOM 0 HD13 LEU B 25 32.699 6.160 -7.292 1.00 0.00 H new ATOM 0 HD21 LEU B 25 33.648 6.741 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU B 25 32.359 7.619 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU B 25 32.033 6.889 -3.703 1.00 0.00 H new ATOM 1003 N GLU B 26 28.427 5.781 -7.828 1.00 0.00 N ATOM 1004 CA GLU B 26 27.738 5.229 -9.029 1.00 0.00 C ATOM 1005 C GLU B 26 28.058 6.096 -10.248 1.00 0.00 C ATOM 1006 O GLU B 26 28.428 5.603 -11.294 1.00 0.00 O ATOM 1007 CB GLU B 26 26.246 5.296 -8.699 1.00 0.00 C ATOM 1008 CG GLU B 26 25.429 5.092 -9.976 1.00 0.00 C ATOM 1009 CD GLU B 26 23.944 4.996 -9.622 1.00 0.00 C ATOM 1010 OE1 GLU B 26 23.439 5.925 -9.013 1.00 0.00 O ATOM 1011 OE2 GLU B 26 23.337 3.995 -9.965 1.00 0.00 O ATOM 0 H GLU B 26 27.835 5.912 -7.008 1.00 0.00 H new ATOM 0 HA GLU B 26 28.053 4.212 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU B 26 25.991 4.531 -7.966 1.00 0.00 H new ATOM 0 HB3 GLU B 26 26.005 6.260 -8.251 1.00 0.00 H new ATOM 0 HG2 GLU B 26 25.597 5.921 -10.664 1.00 0.00 H new ATOM 0 HG3 GLU B 26 25.752 4.184 -10.486 1.00 0.00 H new ATOM 1018 N LEU B 27 27.926 7.388 -10.115 1.00 0.00 N ATOM 1019 CA LEU B 27 28.232 8.291 -11.260 1.00 0.00 C ATOM 1020 C LEU B 27 29.738 8.291 -11.532 1.00 0.00 C ATOM 1021 O LEU B 27 30.178 8.471 -12.650 1.00 0.00 O ATOM 1022 CB LEU B 27 27.767 9.676 -10.806 1.00 0.00 C ATOM 1023 CG LEU B 27 26.308 9.886 -11.214 1.00 0.00 C ATOM 1024 CD1 LEU B 27 25.635 10.848 -10.232 1.00 0.00 C ATOM 1025 CD2 LEU B 27 26.255 10.478 -12.624 1.00 0.00 C ATOM 0 H LEU B 27 27.619 7.857 -9.263 1.00 0.00 H new ATOM 0 HA LEU B 27 27.739 7.980 -12.181 1.00 0.00 H new ATOM 0 HB2 LEU B 27 27.870 9.769 -9.725 1.00 0.00 H new ATOM 0 HB3 LEU B 27 28.395 10.446 -11.253 1.00 0.00 H new ATOM 0 HG LEU B 27 25.786 8.929 -11.200 1.00 0.00 H new ATOM 0 HD11 LEU B 27 24.595 10.997 -10.523 1.00 0.00 H new ATOM 0 HD12 LEU B 27 25.673 10.428 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU B 27 26.156 11.805 -10.245 1.00 0.00 H new ATOM 0 HD21 LEU B 27 25.216 10.628 -12.917 1.00 0.00 H new ATOM 0 HD22 LEU B 27 26.778 11.434 -12.637 1.00 0.00 H new ATOM 0 HD23 LEU B 27 26.734 9.793 -13.324 1.00 0.00 H new ATOM 1037 N LYS B 28 30.530 8.085 -10.515 1.00 0.00 N ATOM 1038 CA LYS B 28 32.009 8.067 -10.706 1.00 0.00 C ATOM 1039 C LYS B 28 32.405 6.898 -11.614 1.00 0.00 C ATOM 1040 O LYS B 28 33.351 6.981 -12.372 1.00 0.00 O ATOM 1041 CB LYS B 28 32.583 7.888 -9.296 1.00 0.00 C ATOM 1042 CG LYS B 28 34.010 7.335 -9.376 1.00 0.00 C ATOM 1043 CD LYS B 28 34.927 8.374 -10.023 1.00 0.00 C ATOM 1044 CE LYS B 28 36.007 8.795 -9.024 1.00 0.00 C ATOM 1045 NZ LYS B 28 37.148 9.263 -9.860 1.00 0.00 N ATOM 0 H LYS B 28 30.216 7.928 -9.557 1.00 0.00 H new ATOM 0 HA LYS B 28 32.384 8.973 -11.182 1.00 0.00 H new ATOM 0 HB2 LYS B 28 32.584 8.843 -8.771 1.00 0.00 H new ATOM 0 HB3 LYS B 28 31.953 7.209 -8.722 1.00 0.00 H new ATOM 0 HG2 LYS B 28 34.371 7.087 -8.378 1.00 0.00 H new ATOM 0 HG3 LYS B 28 34.021 6.413 -9.957 1.00 0.00 H new ATOM 0 HD2 LYS B 28 35.388 7.960 -10.920 1.00 0.00 H new ATOM 0 HD3 LYS B 28 34.347 9.242 -10.335 1.00 0.00 H new ATOM 0 HE2 LYS B 28 35.649 9.587 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS B 28 36.301 7.961 -8.387 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 37.928 9.568 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 37.473 8.486 -10.470 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 36.841 10.062 -10.451 1.00 0.00 H new ATOM 1059 N ASP B 29 31.689 5.810 -11.542 1.00 0.00 N ATOM 1060 CA ASP B 29 32.025 4.638 -12.400 1.00 0.00 C ATOM 1061 C ASP B 29 31.412 4.808 -13.792 1.00 0.00 C ATOM 1062 O ASP B 29 32.061 4.598 -14.797 1.00 0.00 O ATOM 1063 CB ASP B 29 31.407 3.435 -11.686 1.00 0.00 C ATOM 1064 CG ASP B 29 32.512 2.463 -11.272 1.00 0.00 C ATOM 1065 OD1 ASP B 29 33.381 2.202 -12.088 1.00 0.00 O ATOM 1066 OD2 ASP B 29 32.471 1.994 -10.146 1.00 0.00 O ATOM 0 H ASP B 29 30.886 5.681 -10.926 1.00 0.00 H new ATOM 0 HA ASP B 29 33.100 4.523 -12.539 1.00 0.00 H new ATOM 0 HB2 ASP B 29 30.852 3.766 -10.808 1.00 0.00 H new ATOM 0 HB3 ASP B 29 30.696 2.935 -12.343 1.00 0.00 H new ATOM 1071 N ALA B 30 30.164 5.186 -13.858 1.00 0.00 N ATOM 1072 CA ALA B 30 29.509 5.369 -15.185 1.00 0.00 C ATOM 1073 C ALA B 30 30.250 6.429 -16.004 1.00 0.00 C ATOM 1074 O ALA B 30 30.091 6.522 -17.205 1.00 0.00 O ATOM 1075 CB ALA B 30 28.089 5.835 -14.864 1.00 0.00 C ATOM 0 H ALA B 30 29.570 5.376 -13.051 1.00 0.00 H new ATOM 0 HA ALA B 30 29.515 4.453 -15.776 1.00 0.00 H new ATOM 0 HB1 ALA B 30 27.539 5.993 -15.792 1.00 0.00 H new ATOM 0 HB2 ALA B 30 27.583 5.076 -14.267 1.00 0.00 H new ATOM 0 HB3 ALA B 30 28.131 6.769 -14.304 1.00 0.00 H new ATOM 1081 N GLN B 31 31.058 7.232 -15.366 1.00 0.00 N ATOM 1082 CA GLN B 31 31.805 8.285 -16.112 1.00 0.00 C ATOM 1083 C GLN B 31 33.267 7.870 -16.297 1.00 0.00 C ATOM 1084 O GLN B 31 34.051 8.576 -16.899 1.00 0.00 O ATOM 1085 CB GLN B 31 31.709 9.534 -15.236 1.00 0.00 C ATOM 1086 CG GLN B 31 31.011 10.652 -16.013 1.00 0.00 C ATOM 1087 CD GLN B 31 31.949 11.853 -16.135 1.00 0.00 C ATOM 1088 OE1 GLN B 31 33.154 11.705 -16.089 1.00 0.00 O ATOM 1089 NE2 GLN B 31 31.445 13.046 -16.291 1.00 0.00 N ATOM 0 H GLN B 31 31.233 7.204 -14.362 1.00 0.00 H new ATOM 0 HA GLN B 31 31.396 8.453 -17.108 1.00 0.00 H new ATOM 0 HB2 GLN B 31 31.155 9.310 -14.325 1.00 0.00 H new ATOM 0 HB3 GLN B 31 32.705 9.855 -14.932 1.00 0.00 H new ATOM 0 HG2 GLN B 31 30.727 10.298 -17.004 1.00 0.00 H new ATOM 0 HG3 GLN B 31 30.093 10.945 -15.503 1.00 0.00 H new ATOM 0 HE21 GLN B 31 30.433 13.171 -16.330 1.00 0.00 H new ATOM 0 HE22 GLN B 31 32.062 13.854 -16.374 1.00 0.00 H new