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 -23:sc= 0.258 USER MOD Single : A 8 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.9) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -2.48 X(o=-2.5,f=-2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.3!) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot -20:sc= 0.198 USER MOD Single : B 8 GLN : amide:sc= -0.125 K(o=-0.12,f=-0.9) USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 ASN : amide:sc= -2.16 X(o=-2.2,f=-1.8) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.329 K(o=-0.33,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 15.604 -5.577 -1.855 1.00 0.00 N ATOM 38 CA TYR A 4 17.039 -5.415 -1.484 1.00 0.00 C ATOM 39 C TYR A 4 17.438 -3.938 -1.541 1.00 0.00 C ATOM 40 O TYR A 4 16.621 -3.074 -1.789 1.00 0.00 O ATOM 41 CB TYR A 4 17.811 -6.219 -2.531 1.00 0.00 C ATOM 42 CG TYR A 4 17.485 -5.693 -3.909 1.00 0.00 C ATOM 43 CD1 TYR A 4 16.357 -6.166 -4.589 1.00 0.00 C ATOM 44 CD2 TYR A 4 18.311 -4.733 -4.505 1.00 0.00 C ATOM 45 CE1 TYR A 4 16.055 -5.679 -5.867 1.00 0.00 C ATOM 46 CE2 TYR A 4 18.009 -4.246 -5.783 1.00 0.00 C ATOM 47 CZ TYR A 4 16.880 -4.719 -6.463 1.00 0.00 C ATOM 48 OH TYR A 4 16.582 -4.239 -7.722 1.00 0.00 O ATOM 0 HA TYR A 4 17.245 -5.760 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 4 18.882 -6.144 -2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 4 17.548 -7.275 -2.461 1.00 0.00 H new ATOM 0 HD1 TYR A 4 15.720 -6.906 -4.128 1.00 0.00 H new ATOM 0 HD2 TYR A 4 19.181 -4.368 -3.980 1.00 0.00 H new ATOM 0 HE1 TYR A 4 15.185 -6.045 -6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 4 18.647 -3.506 -6.244 1.00 0.00 H new ATOM 0 HH TYR A 4 17.255 -3.578 -7.988 1.00 0.00 H new ATOM 58 N PHE A 5 18.688 -3.643 -1.315 1.00 0.00 N ATOM 59 CA PHE A 5 19.140 -2.222 -1.357 1.00 0.00 C ATOM 60 C PHE A 5 20.345 -2.080 -2.290 1.00 0.00 C ATOM 61 O PHE A 5 20.978 -3.052 -2.653 1.00 0.00 O ATOM 62 CB PHE A 5 19.532 -1.889 0.082 1.00 0.00 C ATOM 63 CG PHE A 5 18.304 -1.929 0.960 1.00 0.00 C ATOM 64 CD1 PHE A 5 17.417 -0.846 0.973 1.00 0.00 C ATOM 65 CD2 PHE A 5 18.051 -3.051 1.758 1.00 0.00 C ATOM 66 CE1 PHE A 5 16.278 -0.884 1.785 1.00 0.00 C ATOM 67 CE2 PHE A 5 16.912 -3.089 2.570 1.00 0.00 C ATOM 68 CZ PHE A 5 16.025 -2.006 2.584 1.00 0.00 C ATOM 0 H PHE A 5 19.417 -4.324 -1.103 1.00 0.00 H new ATOM 0 HA PHE A 5 18.367 -1.552 -1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 5 20.273 -2.602 0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 5 19.992 -0.902 0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 5 17.612 0.019 0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 5 18.735 -3.887 1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 5 15.594 -0.048 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 5 16.717 -3.954 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 5 15.146 -2.036 3.211 1.00 0.00 H new ATOM 78 N THR A 6 20.665 -0.878 -2.683 1.00 0.00 N ATOM 79 CA THR A 6 21.829 -0.679 -3.594 1.00 0.00 C ATOM 80 C THR A 6 22.432 0.713 -3.389 1.00 0.00 C ATOM 81 O THR A 6 21.747 1.650 -3.031 1.00 0.00 O ATOM 82 CB THR A 6 21.253 -0.811 -5.005 1.00 0.00 C ATOM 83 OG1 THR A 6 20.608 -2.070 -5.136 1.00 0.00 O ATOM 84 CG2 THR A 6 22.382 -0.705 -6.031 1.00 0.00 C ATOM 0 H THR A 6 20.173 -0.026 -2.414 1.00 0.00 H new ATOM 0 HA THR A 6 22.626 -1.399 -3.408 1.00 0.00 H new ATOM 0 HB THR A 6 20.531 -0.013 -5.179 1.00 0.00 H new ATOM 0 HG1 THR A 6 20.971 -2.694 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 6 21.970 -0.799 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 6 22.876 0.262 -5.930 1.00 0.00 H new ATOM 0 HG23 THR A 6 23.106 -1.502 -5.859 1.00 0.00 H new ATOM 92 N LEU A 7 23.710 0.853 -3.614 1.00 0.00 N ATOM 93 CA LEU A 7 24.358 2.184 -3.434 1.00 0.00 C ATOM 94 C LEU A 7 25.340 2.450 -4.579 1.00 0.00 C ATOM 95 O LEU A 7 25.889 1.537 -5.163 1.00 0.00 O ATOM 96 CB LEU A 7 25.100 2.086 -2.101 1.00 0.00 C ATOM 97 CG LEU A 7 24.919 3.388 -1.319 1.00 0.00 C ATOM 98 CD1 LEU A 7 23.668 3.289 -0.444 1.00 0.00 C ATOM 99 CD2 LEU A 7 26.143 3.621 -0.430 1.00 0.00 C ATOM 0 H LEU A 7 24.333 0.104 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 7 23.636 3.001 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.719 1.245 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 7 26.159 1.898 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 7 24.810 4.218 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 7 23.539 4.217 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 7 22.795 3.120 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.777 2.459 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.016 4.549 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.250 2.790 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.036 3.691 -1.051 1.00 0.00 H new ATOM 111 N GLN A 8 25.565 3.694 -4.906 1.00 0.00 N ATOM 112 CA GLN A 8 26.510 4.013 -6.015 1.00 0.00 C ATOM 113 C GLN A 8 27.632 4.925 -5.511 1.00 0.00 C ATOM 114 O GLN A 8 27.395 5.894 -4.818 1.00 0.00 O ATOM 115 CB GLN A 8 25.662 4.735 -7.063 1.00 0.00 C ATOM 116 CG GLN A 8 24.439 3.883 -7.407 1.00 0.00 C ATOM 117 CD GLN A 8 24.291 3.793 -8.927 1.00 0.00 C ATOM 118 OE1 GLN A 8 24.626 4.720 -9.637 1.00 0.00 O ATOM 119 NE2 GLN A 8 23.801 2.707 -9.459 1.00 0.00 N ATOM 0 H GLN A 8 25.136 4.502 -4.454 1.00 0.00 H new ATOM 0 HA GLN A 8 26.986 3.120 -6.420 1.00 0.00 H new ATOM 0 HB2 GLN A 8 25.346 5.707 -6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 8 26.253 4.920 -7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 8 24.546 2.885 -6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 8 23.542 4.321 -6.969 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.520 1.929 -8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 8 23.699 2.636 -10.471 1.00 0.00 H new ATOM 128 N ILE A 9 28.854 4.623 -5.857 1.00 0.00 N ATOM 129 CA ILE A 9 29.991 5.473 -5.400 1.00 0.00 C ATOM 130 C ILE A 9 30.725 6.064 -6.607 1.00 0.00 C ATOM 131 O ILE A 9 30.647 5.552 -7.706 1.00 0.00 O ATOM 132 CB ILE A 9 30.908 4.525 -4.627 1.00 0.00 C ATOM 133 CG1 ILE A 9 30.172 3.997 -3.393 1.00 0.00 C ATOM 134 CG2 ILE A 9 32.166 5.277 -4.186 1.00 0.00 C ATOM 135 CD1 ILE A 9 29.848 2.515 -3.587 1.00 0.00 C ATOM 0 H ILE A 9 29.114 3.825 -6.436 1.00 0.00 H new ATOM 0 HA ILE A 9 29.661 6.311 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 9 31.190 3.690 -5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 9 30.788 4.132 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 9 29.254 4.563 -3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 9 32.820 4.601 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 9 32.691 5.654 -5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 9 31.885 6.112 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 9 29.324 2.139 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 9 29.216 2.393 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 9 30.773 1.955 -3.725 1.00 0.00 H new ATOM 147 N ARG A 10 31.439 7.139 -6.411 1.00 0.00 N ATOM 148 CA ARG A 10 32.178 7.760 -7.548 1.00 0.00 C ATOM 149 C ARG A 10 33.682 7.760 -7.261 1.00 0.00 C ATOM 150 O ARG A 10 34.488 8.054 -8.122 1.00 0.00 O ATOM 151 CB ARG A 10 31.647 9.192 -7.631 1.00 0.00 C ATOM 152 CG ARG A 10 32.191 9.866 -8.892 1.00 0.00 C ATOM 153 CD ARG A 10 31.033 10.183 -9.842 1.00 0.00 C ATOM 154 NE ARG A 10 31.412 11.468 -10.492 1.00 0.00 N ATOM 155 CZ ARG A 10 30.498 12.202 -11.067 1.00 0.00 C ATOM 156 NH1 ARG A 10 29.520 12.698 -10.361 1.00 0.00 N ATOM 157 NH2 ARG A 10 30.564 12.439 -12.349 1.00 0.00 N ATOM 0 H ARG A 10 31.543 7.614 -5.514 1.00 0.00 H new ATOM 0 HA ARG A 10 32.032 7.218 -8.482 1.00 0.00 H new ATOM 0 HB2 ARG A 10 30.557 9.186 -7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 10 31.947 9.754 -6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 10 32.720 10.782 -8.628 1.00 0.00 H new ATOM 0 HG3 ARG A 10 32.911 9.213 -9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 10 30.899 9.392 -10.579 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.092 10.277 -9.300 1.00 0.00 H new ATOM 0 HE ARG A 10 32.385 11.775 -10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 10 29.469 12.513 -9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 10 28.806 13.271 -10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 10 31.329 12.051 -12.901 1.00 0.00 H new ATOM 0 HH22 ARG A 10 29.850 13.012 -12.799 1.00 0.00 H new ATOM 171 N GLY A 11 34.065 7.432 -6.058 1.00 0.00 N ATOM 172 CA GLY A 11 35.515 7.413 -5.716 1.00 0.00 C ATOM 173 C GLY A 11 35.930 5.995 -5.319 1.00 0.00 C ATOM 174 O GLY A 11 35.197 5.286 -4.658 1.00 0.00 O ATOM 0 H GLY A 11 33.436 7.176 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 11 36.105 7.750 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 11 35.715 8.104 -4.897 1.00 0.00 H new ATOM 178 N ARG A 12 37.100 5.577 -5.717 1.00 0.00 N ATOM 179 CA ARG A 12 37.563 4.204 -5.363 1.00 0.00 C ATOM 180 C ARG A 12 38.160 4.193 -3.953 1.00 0.00 C ATOM 181 O ARG A 12 38.061 3.218 -3.234 1.00 0.00 O ATOM 182 CB ARG A 12 38.636 3.872 -6.402 1.00 0.00 C ATOM 183 CG ARG A 12 38.713 2.357 -6.596 1.00 0.00 C ATOM 184 CD ARG A 12 39.624 2.042 -7.784 1.00 0.00 C ATOM 185 NE ARG A 12 40.245 0.729 -7.457 1.00 0.00 N ATOM 186 CZ ARG A 12 41.052 0.159 -8.309 1.00 0.00 C ATOM 187 NH1 ARG A 12 41.862 0.888 -9.028 1.00 0.00 N ATOM 188 NH2 ARG A 12 41.050 -1.139 -8.443 1.00 0.00 N ATOM 0 H ARG A 12 37.756 6.126 -6.272 1.00 0.00 H new ATOM 0 HA ARG A 12 36.750 3.478 -5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 12 38.402 4.358 -7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 12 39.603 4.256 -6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 12 39.098 1.883 -5.693 1.00 0.00 H new ATOM 0 HG3 ARG A 12 37.717 1.951 -6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 12 39.057 1.990 -8.713 1.00 0.00 H new ATOM 0 HD3 ARG A 12 40.381 2.815 -7.916 1.00 0.00 H new ATOM 0 HE ARG A 12 40.040 0.275 -6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 12 41.864 1.903 -8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 12 42.493 0.443 -9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 12 40.417 -1.709 -7.881 1.00 0.00 H new ATOM 0 HH22 ARG A 12 41.681 -1.584 -9.109 1.00 0.00 H new ATOM 202 N GLU A 13 38.781 5.269 -3.553 1.00 0.00 N ATOM 203 CA GLU A 13 39.387 5.320 -2.190 1.00 0.00 C ATOM 204 C GLU A 13 38.328 5.027 -1.122 1.00 0.00 C ATOM 205 O GLU A 13 38.566 4.291 -0.185 1.00 0.00 O ATOM 206 CB GLU A 13 39.913 6.749 -2.047 1.00 0.00 C ATOM 207 CG GLU A 13 41.142 6.932 -2.940 1.00 0.00 C ATOM 208 CD GLU A 13 41.989 8.091 -2.411 1.00 0.00 C ATOM 209 OE1 GLU A 13 42.252 8.111 -1.220 1.00 0.00 O ATOM 210 OE2 GLU A 13 42.360 8.939 -3.206 1.00 0.00 O ATOM 0 H GLU A 13 38.895 6.116 -4.110 1.00 0.00 H new ATOM 0 HA GLU A 13 40.175 4.578 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 13 39.138 7.463 -2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 13 40.172 6.950 -1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 13 41.731 6.015 -2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 13 40.833 7.132 -3.966 1.00 0.00 H new ATOM 217 N ARG A 14 37.161 5.594 -1.258 1.00 0.00 N ATOM 218 CA ARG A 14 36.088 5.345 -0.256 1.00 0.00 C ATOM 219 C ARG A 14 35.377 4.033 -0.582 1.00 0.00 C ATOM 220 O ARG A 14 35.006 3.274 0.294 1.00 0.00 O ATOM 221 CB ARG A 14 35.130 6.528 -0.399 1.00 0.00 C ATOM 222 CG ARG A 14 34.423 6.451 -1.753 1.00 0.00 C ATOM 223 CD ARG A 14 33.676 7.761 -2.014 1.00 0.00 C ATOM 224 NE ARG A 14 32.234 7.414 -1.879 1.00 0.00 N ATOM 225 CZ ARG A 14 31.325 8.340 -2.015 1.00 0.00 C ATOM 226 NH1 ARG A 14 31.632 9.479 -2.573 1.00 0.00 N ATOM 227 NH2 ARG A 14 30.109 8.127 -1.594 1.00 0.00 N ATOM 0 H ARG A 14 36.904 6.220 -2.021 1.00 0.00 H new ATOM 0 HA ARG A 14 36.473 5.260 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 14 34.397 6.515 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 14 35.679 7.466 -0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 14 35.150 6.270 -2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 14 33.725 5.614 -1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 14 33.966 8.530 -1.298 1.00 0.00 H new ATOM 0 HD3 ARG A 14 33.897 8.151 -3.008 1.00 0.00 H new ATOM 0 HE ARG A 14 31.957 6.453 -1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 14 32.583 9.645 -2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 14 30.921 10.203 -2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 14 29.869 7.237 -1.158 1.00 0.00 H new ATOM 0 HH22 ARG A 14 29.398 8.851 -1.700 1.00 0.00 H new ATOM 241 N PHE A 15 35.187 3.757 -1.843 1.00 0.00 N ATOM 242 CA PHE A 15 34.506 2.493 -2.222 1.00 0.00 C ATOM 243 C PHE A 15 35.260 1.306 -1.624 1.00 0.00 C ATOM 244 O PHE A 15 34.684 0.454 -0.975 1.00 0.00 O ATOM 245 CB PHE A 15 34.553 2.445 -3.748 1.00 0.00 C ATOM 246 CG PHE A 15 34.079 1.089 -4.210 1.00 0.00 C ATOM 247 CD1 PHE A 15 32.710 0.840 -4.361 1.00 0.00 C ATOM 248 CD2 PHE A 15 35.008 0.077 -4.477 1.00 0.00 C ATOM 249 CE1 PHE A 15 32.270 -0.420 -4.780 1.00 0.00 C ATOM 250 CE2 PHE A 15 34.568 -1.185 -4.893 1.00 0.00 C ATOM 251 CZ PHE A 15 33.199 -1.433 -5.045 1.00 0.00 C ATOM 0 H PHE A 15 35.473 4.350 -2.622 1.00 0.00 H new ATOM 0 HA PHE A 15 33.481 2.448 -1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 15 33.923 3.228 -4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 15 35.568 2.629 -4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 15 31.993 1.621 -4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 15 36.064 0.270 -4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 15 31.214 -0.611 -4.899 1.00 0.00 H new ATOM 0 HE2 PHE A 15 35.285 -1.967 -5.097 1.00 0.00 H new ATOM 0 HZ PHE A 15 32.859 -2.406 -5.367 1.00 0.00 H new ATOM 261 N GLU A 16 36.547 1.247 -1.830 1.00 0.00 N ATOM 262 CA GLU A 16 37.339 0.120 -1.265 1.00 0.00 C ATOM 263 C GLU A 16 36.923 -0.123 0.186 1.00 0.00 C ATOM 264 O GLU A 16 36.822 -1.248 0.634 1.00 0.00 O ATOM 265 CB GLU A 16 38.796 0.580 -1.337 1.00 0.00 C ATOM 266 CG GLU A 16 39.395 0.168 -2.683 1.00 0.00 C ATOM 267 CD GLU A 16 39.693 -1.332 -2.673 1.00 0.00 C ATOM 268 OE1 GLU A 16 39.473 -1.952 -1.646 1.00 0.00 O ATOM 269 OE2 GLU A 16 40.137 -1.835 -3.692 1.00 0.00 O ATOM 0 H GLU A 16 37.083 1.930 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 16 37.185 -0.813 -1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.853 1.662 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 16 39.369 0.138 -0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.701 0.406 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 16 40.310 0.730 -2.873 1.00 0.00 H new ATOM 276 N GLN A 17 36.671 0.927 0.922 1.00 0.00 N ATOM 277 CA GLN A 17 36.252 0.753 2.342 1.00 0.00 C ATOM 278 C GLN A 17 34.912 0.016 2.398 1.00 0.00 C ATOM 279 O GLN A 17 34.737 -0.922 3.151 1.00 0.00 O ATOM 280 CB GLN A 17 36.112 2.171 2.895 1.00 0.00 C ATOM 281 CG GLN A 17 37.341 2.514 3.740 1.00 0.00 C ATOM 282 CD GLN A 17 37.157 1.966 5.156 1.00 0.00 C ATOM 283 OE1 GLN A 17 36.418 2.522 5.944 1.00 0.00 O ATOM 284 NE2 GLN A 17 37.803 0.890 5.514 1.00 0.00 N ATOM 0 H GLN A 17 36.737 1.893 0.602 1.00 0.00 H new ATOM 0 HA GLN A 17 36.967 0.167 2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.010 2.883 2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.209 2.249 3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.237 2.088 3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.483 3.594 3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 17 38.423 0.424 4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 17 37.688 0.515 6.456 1.00 0.00 H new ATOM 293 N PHE A 18 33.964 0.430 1.600 1.00 0.00 N ATOM 294 CA PHE A 18 32.637 -0.253 1.604 1.00 0.00 C ATOM 295 C PHE A 18 32.776 -1.677 1.053 1.00 0.00 C ATOM 296 O PHE A 18 32.348 -2.632 1.670 1.00 0.00 O ATOM 297 CB PHE A 18 31.749 0.599 0.694 1.00 0.00 C ATOM 298 CG PHE A 18 31.557 1.975 1.300 1.00 0.00 C ATOM 299 CD1 PHE A 18 32.030 2.256 2.591 1.00 0.00 C ATOM 300 CD2 PHE A 18 30.903 2.972 0.566 1.00 0.00 C ATOM 301 CE1 PHE A 18 31.848 3.529 3.143 1.00 0.00 C ATOM 302 CE2 PHE A 18 30.722 4.245 1.119 1.00 0.00 C ATOM 303 CZ PHE A 18 31.195 4.524 2.407 1.00 0.00 C ATOM 0 H PHE A 18 34.050 1.209 0.947 1.00 0.00 H new ATOM 0 HA PHE A 18 32.218 -0.343 2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 18 32.203 0.687 -0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 18 30.782 0.114 0.558 1.00 0.00 H new ATOM 0 HD1 PHE A 18 32.535 1.489 3.159 1.00 0.00 H new ATOM 0 HD2 PHE A 18 30.538 2.759 -0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 18 32.212 3.744 4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.217 5.013 0.552 1.00 0.00 H new ATOM 0 HZ PHE A 18 31.056 5.507 2.832 1.00 0.00 H new ATOM 313 N ARG A 19 33.376 -1.829 -0.099 1.00 0.00 N ATOM 314 CA ARG A 19 33.545 -3.194 -0.678 1.00 0.00 C ATOM 315 C ARG A 19 33.965 -4.179 0.417 1.00 0.00 C ATOM 316 O ARG A 19 33.231 -5.085 0.768 1.00 0.00 O ATOM 317 CB ARG A 19 34.652 -3.047 -1.722 1.00 0.00 C ATOM 318 CG ARG A 19 34.867 -4.385 -2.432 1.00 0.00 C ATOM 319 CD ARG A 19 33.566 -4.818 -3.113 1.00 0.00 C ATOM 320 NE ARG A 19 33.891 -6.112 -3.774 1.00 0.00 N ATOM 321 CZ ARG A 19 33.273 -7.203 -3.412 1.00 0.00 C ATOM 322 NH1 ARG A 19 32.125 -7.512 -3.952 1.00 0.00 N ATOM 323 NH2 ARG A 19 33.801 -7.985 -2.511 1.00 0.00 N ATOM 0 H ARG A 19 33.755 -1.068 -0.663 1.00 0.00 H new ATOM 0 HA ARG A 19 32.623 -3.577 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 19 34.383 -2.278 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 19 35.577 -2.725 -1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 19 35.663 -4.293 -3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 19 35.184 -5.142 -1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 19 32.761 -4.936 -2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 19 33.234 -4.076 -3.839 1.00 0.00 H new ATOM 0 HE ARG A 19 34.597 -6.146 -4.510 1.00 0.00 H new ATOM 0 HH11 ARG A 19 31.712 -6.901 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 19 31.642 -8.365 -3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 19 34.698 -7.744 -2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 19 33.317 -8.837 -2.229 1.00 0.00 H new ATOM 337 N GLU A 20 35.138 -4.008 0.966 1.00 0.00 N ATOM 338 CA GLU A 20 35.594 -4.932 2.042 1.00 0.00 C ATOM 339 C GLU A 20 34.518 -5.026 3.125 1.00 0.00 C ATOM 340 O GLU A 20 34.290 -6.072 3.701 1.00 0.00 O ATOM 341 CB GLU A 20 36.869 -4.299 2.600 1.00 0.00 C ATOM 342 CG GLU A 20 37.895 -5.396 2.898 1.00 0.00 C ATOM 343 CD GLU A 20 39.306 -4.808 2.831 1.00 0.00 C ATOM 344 OE1 GLU A 20 39.589 -4.107 1.873 1.00 0.00 O ATOM 345 OE2 GLU A 20 40.078 -5.070 3.738 1.00 0.00 O ATOM 0 H GLU A 20 35.797 -3.271 0.716 1.00 0.00 H new ATOM 0 HA GLU A 20 35.777 -5.943 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 20 37.279 -3.588 1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 20 36.643 -3.741 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 20 37.713 -5.820 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 20 37.794 -6.208 2.178 1.00 0.00 H new ATOM 352 N ARG A 21 33.848 -3.940 3.398 1.00 0.00 N ATOM 353 CA ARG A 21 32.779 -3.965 4.435 1.00 0.00 C ATOM 354 C ARG A 21 31.647 -4.890 3.984 1.00 0.00 C ATOM 355 O ARG A 21 31.227 -5.771 4.707 1.00 0.00 O ATOM 356 CB ARG A 21 32.288 -2.521 4.535 1.00 0.00 C ATOM 357 CG ARG A 21 32.407 -2.041 5.983 1.00 0.00 C ATOM 358 CD ARG A 21 33.854 -2.193 6.454 1.00 0.00 C ATOM 359 NE ARG A 21 34.023 -1.161 7.514 1.00 0.00 N ATOM 360 CZ ARG A 21 34.830 -1.379 8.515 1.00 0.00 C ATOM 361 NH1 ARG A 21 35.904 -2.101 8.342 1.00 0.00 N ATOM 362 NH2 ARG A 21 34.564 -0.876 9.689 1.00 0.00 N ATOM 0 H ARG A 21 33.995 -3.037 2.948 1.00 0.00 H new ATOM 0 HA ARG A 21 33.136 -4.336 5.396 1.00 0.00 H new ATOM 0 HB2 ARG A 21 32.876 -1.879 3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 21 31.252 -2.454 4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 21 32.096 -0.999 6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 21 31.742 -2.619 6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 21 34.039 -3.194 6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.555 -2.036 5.634 1.00 0.00 H new ATOM 0 HE ARG A 21 33.507 -0.283 7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.112 -2.494 7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 21 36.535 -2.272 9.125 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.725 -0.312 9.824 1.00 0.00 H new ATOM 0 HH22 ARG A 21 35.195 -1.047 10.472 1.00 0.00 H new ATOM 376 N ASN A 22 31.157 -4.703 2.788 1.00 0.00 N ATOM 377 CA ASN A 22 30.061 -5.581 2.291 1.00 0.00 C ATOM 378 C ASN A 22 30.382 -7.038 2.628 1.00 0.00 C ATOM 379 O ASN A 22 29.567 -7.754 3.176 1.00 0.00 O ATOM 380 CB ASN A 22 30.038 -5.371 0.776 1.00 0.00 C ATOM 381 CG ASN A 22 29.248 -6.502 0.115 1.00 0.00 C ATOM 382 OD1 ASN A 22 29.772 -7.576 -0.106 1.00 0.00 O ATOM 383 ND2 ASN A 22 28.000 -6.305 -0.213 1.00 0.00 N ATOM 0 H ASN A 22 31.468 -3.982 2.136 1.00 0.00 H new ATOM 0 HA ASN A 22 29.097 -5.347 2.743 1.00 0.00 H new ATOM 0 HB2 ASN A 22 29.584 -4.409 0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 22 31.056 -5.348 0.386 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.465 -7.052 -0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 22 27.560 -5.404 -0.028 1.00 0.00 H new ATOM 390 N GLU A 23 31.569 -7.478 2.311 1.00 0.00 N ATOM 391 CA GLU A 23 31.947 -8.886 2.622 1.00 0.00 C ATOM 392 C GLU A 23 31.719 -9.167 4.109 1.00 0.00 C ATOM 393 O GLU A 23 30.993 -10.072 4.479 1.00 0.00 O ATOM 394 CB GLU A 23 33.435 -8.981 2.277 1.00 0.00 C ATOM 395 CG GLU A 23 33.853 -10.451 2.202 1.00 0.00 C ATOM 396 CD GLU A 23 32.965 -11.184 1.195 1.00 0.00 C ATOM 397 OE1 GLU A 23 32.968 -10.794 0.039 1.00 0.00 O ATOM 398 OE2 GLU A 23 32.298 -12.123 1.597 1.00 0.00 O ATOM 0 H GLU A 23 32.292 -6.925 1.851 1.00 0.00 H new ATOM 0 HA GLU A 23 31.355 -9.612 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 23 33.630 -8.488 1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 23 34.027 -8.462 3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 23 34.899 -10.528 1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 23 33.766 -10.915 3.184 1.00 0.00 H new ATOM 405 N ALA A 24 32.327 -8.392 4.966 1.00 0.00 N ATOM 406 CA ALA A 24 32.140 -8.608 6.429 1.00 0.00 C ATOM 407 C ALA A 24 30.658 -8.487 6.788 1.00 0.00 C ATOM 408 O ALA A 24 30.099 -9.333 7.459 1.00 0.00 O ATOM 409 CB ALA A 24 32.949 -7.499 7.102 1.00 0.00 C ATOM 0 H ALA A 24 32.944 -7.619 4.716 1.00 0.00 H new ATOM 0 HA ALA A 24 32.467 -9.597 6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 24 32.861 -7.590 8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 24 33.997 -7.587 6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 24 32.567 -6.528 6.788 1.00 0.00 H new ATOM 415 N LEU A 25 30.014 -7.443 6.340 1.00 0.00 N ATOM 416 CA LEU A 25 28.567 -7.272 6.649 1.00 0.00 C ATOM 417 C LEU A 25 27.767 -8.426 6.042 1.00 0.00 C ATOM 418 O LEU A 25 26.825 -8.919 6.630 1.00 0.00 O ATOM 419 CB LEU A 25 28.176 -5.946 5.997 1.00 0.00 C ATOM 420 CG LEU A 25 28.174 -4.838 7.052 1.00 0.00 C ATOM 421 CD1 LEU A 25 27.194 -5.198 8.169 1.00 0.00 C ATOM 422 CD2 LEU A 25 29.581 -4.691 7.637 1.00 0.00 C ATOM 0 H LEU A 25 30.428 -6.702 5.774 1.00 0.00 H new ATOM 0 HA LEU A 25 28.367 -7.270 7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 25 28.876 -5.701 5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 25 27.190 -6.030 5.541 1.00 0.00 H new ATOM 0 HG LEU A 25 27.870 -3.898 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 25 27.193 -4.408 8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 25 26.192 -5.305 7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 25 27.498 -6.138 8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 25 29.582 -3.902 8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 25 29.884 -5.631 8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 25 30.281 -4.435 6.842 1.00 0.00 H new ATOM 434 N GLU A 26 28.139 -8.862 4.870 1.00 0.00 N ATOM 435 CA GLU A 26 27.405 -9.988 4.228 1.00 0.00 C ATOM 436 C GLU A 26 27.284 -11.155 5.210 1.00 0.00 C ATOM 437 O GLU A 26 26.215 -11.689 5.427 1.00 0.00 O ATOM 438 CB GLU A 26 28.259 -10.384 3.023 1.00 0.00 C ATOM 439 CG GLU A 26 27.591 -11.543 2.281 1.00 0.00 C ATOM 440 CD GLU A 26 28.631 -12.272 1.430 1.00 0.00 C ATOM 441 OE1 GLU A 26 29.490 -12.920 2.005 1.00 0.00 O ATOM 442 OE2 GLU A 26 28.552 -12.171 0.216 1.00 0.00 O ATOM 0 H GLU A 26 28.919 -8.487 4.330 1.00 0.00 H new ATOM 0 HA GLU A 26 26.393 -9.711 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 26 28.380 -9.532 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 26 29.257 -10.676 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 26 27.141 -12.234 2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 26 26.786 -11.168 1.648 1.00 0.00 H new ATOM 449 N LEU A 27 28.374 -11.549 5.810 1.00 0.00 N ATOM 450 CA LEU A 27 28.319 -12.677 6.784 1.00 0.00 C ATOM 451 C LEU A 27 27.591 -12.234 8.055 1.00 0.00 C ATOM 452 O LEU A 27 26.920 -13.013 8.703 1.00 0.00 O ATOM 453 CB LEU A 27 29.779 -13.013 7.088 1.00 0.00 C ATOM 454 CG LEU A 27 29.943 -14.530 7.188 1.00 0.00 C ATOM 455 CD1 LEU A 27 30.000 -15.132 5.783 1.00 0.00 C ATOM 456 CD2 LEU A 27 31.240 -14.853 7.933 1.00 0.00 C ATOM 0 H LEU A 27 29.298 -11.140 5.669 1.00 0.00 H new ATOM 0 HA LEU A 27 27.780 -13.539 6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 27 30.425 -12.618 6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 27 30.085 -12.541 8.022 1.00 0.00 H new ATOM 0 HG LEU A 27 29.096 -14.952 7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 27 30.117 -16.213 5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 27 29.077 -14.901 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 27 30.847 -14.711 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 27 31.359 -15.934 8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 27 32.086 -14.431 7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 27 31.201 -14.425 8.935 1.00 0.00 H new ATOM 468 N LYS A 28 27.714 -10.985 8.414 1.00 0.00 N ATOM 469 CA LYS A 28 27.026 -10.487 9.639 1.00 0.00 C ATOM 470 C LYS A 28 25.512 -10.682 9.503 1.00 0.00 C ATOM 471 O LYS A 28 24.837 -11.054 10.442 1.00 0.00 O ATOM 472 CB LYS A 28 27.382 -8.999 9.712 1.00 0.00 C ATOM 473 CG LYS A 28 26.366 -8.259 10.588 1.00 0.00 C ATOM 474 CD LYS A 28 26.250 -8.957 11.944 1.00 0.00 C ATOM 475 CE LYS A 28 24.942 -8.540 12.621 1.00 0.00 C ATOM 476 NZ LYS A 28 25.179 -8.747 14.077 1.00 0.00 N ATOM 0 H LYS A 28 28.262 -10.287 7.911 1.00 0.00 H new ATOM 0 HA LYS A 28 27.333 -11.019 10.539 1.00 0.00 H new ATOM 0 HB2 LYS A 28 28.385 -8.876 10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 28 27.392 -8.569 8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 28 26.677 -7.223 10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 28 25.394 -8.237 10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 28 26.275 -10.039 11.812 1.00 0.00 H new ATOM 0 HD3 LYS A 28 27.099 -8.693 12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 28 24.700 -7.500 12.405 1.00 0.00 H new ATOM 0 HE3 LYS A 28 24.105 -9.142 12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 24.325 -8.482 14.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 25.401 -9.748 14.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 25.977 -8.156 14.386 1.00 0.00 H new ATOM 490 N ASP A 29 24.977 -10.435 8.339 1.00 0.00 N ATOM 491 CA ASP A 29 23.509 -10.608 8.142 1.00 0.00 C ATOM 492 C ASP A 29 23.171 -12.093 7.988 1.00 0.00 C ATOM 493 O ASP A 29 22.261 -12.600 8.612 1.00 0.00 O ATOM 494 CB ASP A 29 23.190 -9.848 6.853 1.00 0.00 C ATOM 495 CG ASP A 29 22.614 -8.474 7.200 1.00 0.00 C ATOM 496 OD1 ASP A 29 23.321 -7.696 7.818 1.00 0.00 O ATOM 497 OD2 ASP A 29 21.475 -8.224 6.841 1.00 0.00 O ATOM 0 H ASP A 29 25.492 -10.121 7.516 1.00 0.00 H new ATOM 0 HA ASP A 29 22.930 -10.236 8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 29 24.092 -9.735 6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.476 -10.412 6.253 1.00 0.00 H new ATOM 502 N ALA A 30 23.900 -12.793 7.162 1.00 0.00 N ATOM 503 CA ALA A 30 23.621 -14.245 6.969 1.00 0.00 C ATOM 504 C ALA A 30 23.452 -14.933 8.327 1.00 0.00 C ATOM 505 O ALA A 30 22.745 -15.913 8.453 1.00 0.00 O ATOM 506 CB ALA A 30 24.849 -14.791 6.240 1.00 0.00 C ATOM 0 H ALA A 30 24.676 -12.423 6.613 1.00 0.00 H new ATOM 0 HA ALA A 30 22.704 -14.420 6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 30 24.721 -15.858 6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 30 24.966 -14.274 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 30 25.737 -14.630 6.852 1.00 0.00 H new ATOM 512 N GLN A 31 24.096 -14.427 9.343 1.00 0.00 N ATOM 513 CA GLN A 31 23.971 -15.052 10.691 1.00 0.00 C ATOM 514 C GLN A 31 22.499 -15.125 11.106 1.00 0.00 C ATOM 515 O GLN A 31 21.886 -16.173 11.074 1.00 0.00 O ATOM 516 CB GLN A 31 24.747 -14.127 11.629 1.00 0.00 C ATOM 517 CG GLN A 31 25.882 -14.908 12.294 1.00 0.00 C ATOM 518 CD GLN A 31 25.831 -14.693 13.808 1.00 0.00 C ATOM 519 OE1 GLN A 31 24.768 -14.542 14.376 1.00 0.00 O ATOM 520 NE2 GLN A 31 26.944 -14.670 14.489 1.00 0.00 N ATOM 0 H GLN A 31 24.703 -13.608 9.298 1.00 0.00 H new ATOM 0 HA GLN A 31 24.357 -16.071 10.711 1.00 0.00 H new ATOM 0 HB2 GLN A 31 25.151 -13.282 11.071 1.00 0.00 H new ATOM 0 HB3 GLN A 31 24.080 -13.718 12.388 1.00 0.00 H new ATOM 0 HG2 GLN A 31 25.791 -15.969 12.064 1.00 0.00 H new ATOM 0 HG3 GLN A 31 26.844 -14.578 11.901 1.00 0.00 H new ATOM 0 HE21 GLN A 31 27.837 -14.797 14.012 1.00 0.00 H new ATOM 0 HE22 GLN A 31 26.921 -14.525 15.498 1.00 0.00 H new ATOM 606 N TYR B 4 32.773 5.477 -12.287 1.00 0.00 N ATOM 607 CA TYR B 4 32.350 5.445 -10.857 1.00 0.00 C ATOM 608 C TYR B 4 32.191 3.997 -10.385 1.00 0.00 C ATOM 609 O TYR B 4 32.463 3.063 -11.113 1.00 0.00 O ATOM 610 CB TYR B 4 31.004 6.169 -10.826 1.00 0.00 C ATOM 611 CG TYR B 4 30.037 5.472 -11.753 1.00 0.00 C ATOM 612 CD1 TYR B 4 30.016 5.797 -13.114 1.00 0.00 C ATOM 613 CD2 TYR B 4 29.163 4.500 -11.251 1.00 0.00 C ATOM 614 CE1 TYR B 4 29.121 5.150 -13.974 1.00 0.00 C ATOM 615 CE2 TYR B 4 28.268 3.854 -12.111 1.00 0.00 C ATOM 616 CZ TYR B 4 28.246 4.178 -13.473 1.00 0.00 C ATOM 617 OH TYR B 4 27.364 3.541 -14.320 1.00 0.00 O ATOM 0 HA TYR B 4 33.081 5.915 -10.199 1.00 0.00 H new ATOM 0 HB2 TYR B 4 30.608 6.180 -9.811 1.00 0.00 H new ATOM 0 HB3 TYR B 4 31.131 7.208 -11.130 1.00 0.00 H new ATOM 0 HD1 TYR B 4 30.690 6.547 -13.501 1.00 0.00 H new ATOM 0 HD2 TYR B 4 29.180 4.249 -10.201 1.00 0.00 H new ATOM 0 HE1 TYR B 4 29.105 5.400 -15.024 1.00 0.00 H new ATOM 0 HE2 TYR B 4 27.593 3.105 -11.724 1.00 0.00 H new ATOM 0 HH TYR B 4 26.830 2.895 -13.811 1.00 0.00 H new ATOM 627 N PHE B 5 31.750 3.805 -9.172 1.00 0.00 N ATOM 628 CA PHE B 5 31.572 2.418 -8.654 1.00 0.00 C ATOM 629 C PHE B 5 30.159 2.242 -8.093 1.00 0.00 C ATOM 630 O PHE B 5 29.455 3.201 -7.846 1.00 0.00 O ATOM 631 CB PHE B 5 32.613 2.273 -7.545 1.00 0.00 C ATOM 632 CG PHE B 5 33.998 2.343 -8.143 1.00 0.00 C ATOM 633 CD1 PHE B 5 34.546 1.219 -8.771 1.00 0.00 C ATOM 634 CD2 PHE B 5 34.732 3.533 -8.070 1.00 0.00 C ATOM 635 CE1 PHE B 5 35.830 1.284 -9.326 1.00 0.00 C ATOM 636 CE2 PHE B 5 36.016 3.598 -8.626 1.00 0.00 C ATOM 637 CZ PHE B 5 36.564 2.473 -9.254 1.00 0.00 C ATOM 0 H PHE B 5 31.505 4.548 -8.517 1.00 0.00 H new ATOM 0 HA PHE B 5 31.700 1.666 -9.432 1.00 0.00 H new ATOM 0 HB2 PHE B 5 32.484 3.063 -6.805 1.00 0.00 H new ATOM 0 HB3 PHE B 5 32.477 1.324 -7.025 1.00 0.00 H new ATOM 0 HD1 PHE B 5 33.979 0.302 -8.828 1.00 0.00 H new ATOM 0 HD2 PHE B 5 34.308 4.400 -7.585 1.00 0.00 H new ATOM 0 HE1 PHE B 5 36.254 0.416 -9.810 1.00 0.00 H new ATOM 0 HE2 PHE B 5 36.583 4.515 -8.570 1.00 0.00 H new ATOM 0 HZ PHE B 5 37.554 2.523 -9.683 1.00 0.00 H new ATOM 647 N THR B 6 29.737 1.024 -7.891 1.00 0.00 N ATOM 648 CA THR B 6 28.368 0.791 -7.347 1.00 0.00 C ATOM 649 C THR B 6 28.321 -0.530 -6.575 1.00 0.00 C ATOM 650 O THR B 6 29.046 -1.460 -6.870 1.00 0.00 O ATOM 651 CB THR B 6 27.461 0.727 -8.576 1.00 0.00 C ATOM 652 OG1 THR B 6 27.604 1.922 -9.330 1.00 0.00 O ATOM 653 CG2 THR B 6 26.006 0.574 -8.131 1.00 0.00 C ATOM 0 H THR B 6 30.280 0.181 -8.079 1.00 0.00 H new ATOM 0 HA THR B 6 28.061 1.573 -6.653 1.00 0.00 H new ATOM 0 HB THR B 6 27.742 -0.128 -9.191 1.00 0.00 H new ATOM 0 HG1 THR B 6 27.981 2.625 -8.761 1.00 0.00 H new ATOM 0 HG21 THR B 6 25.360 0.528 -9.008 1.00 0.00 H new ATOM 0 HG22 THR B 6 25.897 -0.343 -7.552 1.00 0.00 H new ATOM 0 HG23 THR B 6 25.722 1.427 -7.515 1.00 0.00 H new ATOM 661 N LEU B 7 27.472 -0.619 -5.588 1.00 0.00 N ATOM 662 CA LEU B 7 27.376 -1.880 -4.798 1.00 0.00 C ATOM 663 C LEU B 7 25.908 -2.216 -4.522 1.00 0.00 C ATOM 664 O LEU B 7 25.064 -1.344 -4.455 1.00 0.00 O ATOM 665 CB LEU B 7 28.115 -1.587 -3.492 1.00 0.00 C ATOM 666 CG LEU B 7 28.961 -2.799 -3.101 1.00 0.00 C ATOM 667 CD1 LEU B 7 30.351 -2.676 -3.726 1.00 0.00 C ATOM 668 CD2 LEU B 7 29.092 -2.857 -1.577 1.00 0.00 C ATOM 0 H LEU B 7 26.841 0.126 -5.294 1.00 0.00 H new ATOM 0 HA LEU B 7 27.805 -2.733 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU B 7 28.751 -0.710 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU B 7 27.401 -1.358 -2.701 1.00 0.00 H new ATOM 0 HG LEU B 7 28.480 -3.709 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU B 7 30.953 -3.540 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU B 7 30.259 -2.633 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU B 7 30.833 -1.767 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU B 7 29.695 -3.721 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU B 7 29.573 -1.947 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU B 7 28.102 -2.945 -1.130 1.00 0.00 H new ATOM 680 N GLN B 8 25.595 -3.473 -4.362 1.00 0.00 N ATOM 681 CA GLN B 8 24.180 -3.859 -4.092 1.00 0.00 C ATOM 682 C GLN B 8 24.082 -4.639 -2.778 1.00 0.00 C ATOM 683 O GLN B 8 24.862 -5.533 -2.516 1.00 0.00 O ATOM 684 CB GLN B 8 23.779 -4.745 -5.273 1.00 0.00 C ATOM 685 CG GLN B 8 24.068 -4.011 -6.583 1.00 0.00 C ATOM 686 CD GLN B 8 22.847 -4.104 -7.500 1.00 0.00 C ATOM 687 OE1 GLN B 8 22.130 -5.084 -7.479 1.00 0.00 O ATOM 688 NE2 GLN B 8 22.578 -3.117 -8.310 1.00 0.00 N ATOM 0 H GLN B 8 26.256 -4.248 -4.406 1.00 0.00 H new ATOM 0 HA GLN B 8 23.528 -2.991 -3.993 1.00 0.00 H new ATOM 0 HB2 GLN B 8 24.331 -5.684 -5.241 1.00 0.00 H new ATOM 0 HB3 GLN B 8 22.720 -4.996 -5.210 1.00 0.00 H new ATOM 0 HG2 GLN B 8 24.306 -2.967 -6.382 1.00 0.00 H new ATOM 0 HG3 GLN B 8 24.938 -4.448 -7.073 1.00 0.00 H new ATOM 0 HE21 GLN B 8 23.180 -2.294 -8.328 1.00 0.00 H new ATOM 0 HE22 GLN B 8 21.766 -3.169 -8.925 1.00 0.00 H new ATOM 697 N ILE B 9 23.129 -4.307 -1.951 1.00 0.00 N ATOM 698 CA ILE B 9 22.980 -5.030 -0.655 1.00 0.00 C ATOM 699 C ILE B 9 21.610 -5.710 -0.585 1.00 0.00 C ATOM 700 O ILE B 9 20.682 -5.331 -1.271 1.00 0.00 O ATOM 701 CB ILE B 9 23.097 -3.947 0.418 1.00 0.00 C ATOM 702 CG1 ILE B 9 24.496 -3.329 0.368 1.00 0.00 C ATOM 703 CG2 ILE B 9 22.865 -4.568 1.797 1.00 0.00 C ATOM 704 CD1 ILE B 9 24.405 -1.899 -0.166 1.00 0.00 C ATOM 0 H ILE B 9 22.447 -3.567 -2.116 1.00 0.00 H new ATOM 0 HA ILE B 9 23.729 -5.811 -0.528 1.00 0.00 H new ATOM 0 HB ILE B 9 22.350 -3.174 0.236 1.00 0.00 H new ATOM 0 HG12 ILE B 9 24.941 -3.329 1.363 1.00 0.00 H new ATOM 0 HG13 ILE B 9 25.146 -3.926 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE B 9 22.948 -3.796 2.562 1.00 0.00 H new ATOM 0 HG22 ILE B 9 21.869 -5.010 1.834 1.00 0.00 H new ATOM 0 HG23 ILE B 9 23.612 -5.341 1.978 1.00 0.00 H new ATOM 0 HD11 ILE B 9 25.402 -1.460 -0.201 1.00 0.00 H new ATOM 0 HD12 ILE B 9 23.978 -1.912 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE B 9 23.770 -1.305 0.491 1.00 0.00 H new ATOM 716 N ARG B 10 21.476 -6.713 0.240 1.00 0.00 N ATOM 717 CA ARG B 10 20.165 -7.415 0.353 1.00 0.00 C ATOM 718 C ARG B 10 19.624 -7.296 1.780 1.00 0.00 C ATOM 719 O ARG B 10 18.493 -7.643 2.057 1.00 0.00 O ATOM 720 CB ARG B 10 20.466 -8.876 0.014 1.00 0.00 C ATOM 721 CG ARG B 10 19.155 -9.655 -0.095 1.00 0.00 C ATOM 722 CD ARG B 10 18.972 -10.147 -1.532 1.00 0.00 C ATOM 723 NE ARG B 10 18.308 -11.474 -1.402 1.00 0.00 N ATOM 724 CZ ARG B 10 18.344 -12.321 -2.394 1.00 0.00 C ATOM 725 NH1 ARG B 10 19.488 -12.790 -2.810 1.00 0.00 N ATOM 726 NH2 ARG B 10 17.235 -12.699 -2.969 1.00 0.00 N ATOM 0 H ARG B 10 22.217 -7.076 0.840 1.00 0.00 H new ATOM 0 HA ARG B 10 19.411 -6.990 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG B 10 21.016 -8.937 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG B 10 21.100 -9.316 0.784 1.00 0.00 H new ATOM 0 HG2 ARG B 10 19.164 -10.501 0.592 1.00 0.00 H new ATOM 0 HG3 ARG B 10 18.317 -9.020 0.193 1.00 0.00 H new ATOM 0 HD2 ARG B 10 18.361 -9.455 -2.112 1.00 0.00 H new ATOM 0 HD3 ARG B 10 19.930 -10.233 -2.045 1.00 0.00 H new ATOM 0 HE ARG B 10 17.825 -11.721 -0.538 1.00 0.00 H new ATOM 0 HH11 ARG B 10 20.354 -12.495 -2.360 1.00 0.00 H new ATOM 0 HH12 ARG B 10 19.516 -13.452 -3.585 1.00 0.00 H new ATOM 0 HH21 ARG B 10 16.341 -12.332 -2.643 1.00 0.00 H new ATOM 0 HH22 ARG B 10 17.263 -13.361 -3.744 1.00 0.00 H new ATOM 740 N GLY B 11 20.424 -6.807 2.688 1.00 0.00 N ATOM 741 CA GLY B 11 19.956 -6.666 4.096 1.00 0.00 C ATOM 742 C GLY B 11 19.980 -5.191 4.497 1.00 0.00 C ATOM 743 O GLY B 11 20.874 -4.452 4.134 1.00 0.00 O ATOM 0 H GLY B 11 21.381 -6.499 2.516 1.00 0.00 H new ATOM 0 HA2 GLY B 11 18.946 -7.065 4.196 1.00 0.00 H new ATOM 0 HA3 GLY B 11 20.595 -7.245 4.762 1.00 0.00 H new ATOM 747 N ARG B 12 19.003 -4.755 5.245 1.00 0.00 N ATOM 748 CA ARG B 12 18.970 -3.326 5.670 1.00 0.00 C ATOM 749 C ARG B 12 19.857 -3.119 6.900 1.00 0.00 C ATOM 750 O ARG B 12 20.466 -2.082 7.072 1.00 0.00 O ATOM 751 CB ARG B 12 17.506 -3.051 6.012 1.00 0.00 C ATOM 752 CG ARG B 12 17.202 -1.565 5.810 1.00 0.00 C ATOM 753 CD ARG B 12 15.695 -1.331 5.936 1.00 0.00 C ATOM 754 NE ARG B 12 15.564 0.045 6.490 1.00 0.00 N ATOM 755 CZ ARG B 12 14.381 0.560 6.678 1.00 0.00 C ATOM 756 NH1 ARG B 12 13.395 -0.197 7.076 1.00 0.00 N ATOM 757 NH2 ARG B 12 14.182 1.832 6.467 1.00 0.00 N ATOM 0 H ARG B 12 18.227 -5.326 5.580 1.00 0.00 H new ATOM 0 HA ARG B 12 19.342 -2.655 4.895 1.00 0.00 H new ATOM 0 HB2 ARG B 12 16.855 -3.655 5.380 1.00 0.00 H new ATOM 0 HB3 ARG B 12 17.303 -3.337 7.044 1.00 0.00 H new ATOM 0 HG2 ARG B 12 17.736 -0.970 6.550 1.00 0.00 H new ATOM 0 HG3 ARG B 12 17.550 -1.242 4.829 1.00 0.00 H new ATOM 0 HD2 ARG B 12 15.200 -1.416 4.969 1.00 0.00 H new ATOM 0 HD3 ARG B 12 15.235 -2.067 6.595 1.00 0.00 H new ATOM 0 HE ARG B 12 16.398 0.584 6.722 1.00 0.00 H new ATOM 0 HH11 ARG B 12 13.550 -1.192 7.240 1.00 0.00 H new ATOM 0 HH12 ARG B 12 12.470 0.206 7.223 1.00 0.00 H new ATOM 0 HH21 ARG B 12 14.952 2.424 6.155 1.00 0.00 H new ATOM 0 HH22 ARG B 12 13.256 2.235 6.614 1.00 0.00 H new ATOM 771 N GLU B 13 19.936 -4.100 7.757 1.00 0.00 N ATOM 772 CA GLU B 13 20.784 -3.960 8.976 1.00 0.00 C ATOM 773 C GLU B 13 22.221 -3.607 8.581 1.00 0.00 C ATOM 774 O GLU B 13 22.837 -2.735 9.160 1.00 0.00 O ATOM 775 CB GLU B 13 20.733 -5.330 9.653 1.00 0.00 C ATOM 776 CG GLU B 13 19.346 -5.546 10.261 1.00 0.00 C ATOM 777 CD GLU B 13 19.436 -6.584 11.381 1.00 0.00 C ATOM 778 OE1 GLU B 13 20.312 -6.449 12.218 1.00 0.00 O ATOM 779 OE2 GLU B 13 18.626 -7.497 11.382 1.00 0.00 O ATOM 0 H GLU B 13 19.450 -4.992 7.666 1.00 0.00 H new ATOM 0 HA GLU B 13 20.433 -3.167 9.636 1.00 0.00 H new ATOM 0 HB2 GLU B 13 20.950 -6.114 8.928 1.00 0.00 H new ATOM 0 HB3 GLU B 13 21.496 -5.393 10.429 1.00 0.00 H new ATOM 0 HG2 GLU B 13 18.958 -4.606 10.653 1.00 0.00 H new ATOM 0 HG3 GLU B 13 18.649 -5.883 9.493 1.00 0.00 H new ATOM 786 N ARG B 14 22.757 -4.277 7.598 1.00 0.00 N ATOM 787 CA ARG B 14 24.151 -3.975 7.166 1.00 0.00 C ATOM 788 C ARG B 14 24.160 -2.751 6.250 1.00 0.00 C ATOM 789 O ARG B 14 25.047 -1.923 6.311 1.00 0.00 O ATOM 790 CB ARG B 14 24.612 -5.218 6.406 1.00 0.00 C ATOM 791 CG ARG B 14 23.830 -5.333 5.096 1.00 0.00 C ATOM 792 CD ARG B 14 24.087 -6.704 4.468 1.00 0.00 C ATOM 793 NE ARG B 14 24.932 -6.426 3.274 1.00 0.00 N ATOM 794 CZ ARG B 14 25.353 -7.412 2.531 1.00 0.00 C ATOM 795 NH1 ARG B 14 24.796 -8.588 2.630 1.00 0.00 N ATOM 796 NH2 ARG B 14 26.333 -7.223 1.690 1.00 0.00 N ATOM 0 H ARG B 14 22.291 -5.019 7.076 1.00 0.00 H new ATOM 0 HA ARG B 14 24.806 -3.750 8.008 1.00 0.00 H new ATOM 0 HB2 ARG B 14 25.681 -5.156 6.200 1.00 0.00 H new ATOM 0 HB3 ARG B 14 24.456 -6.109 7.015 1.00 0.00 H new ATOM 0 HG2 ARG B 14 22.764 -5.201 5.283 1.00 0.00 H new ATOM 0 HG3 ARG B 14 24.133 -4.543 4.408 1.00 0.00 H new ATOM 0 HD2 ARG B 14 24.596 -7.369 5.166 1.00 0.00 H new ATOM 0 HD3 ARG B 14 23.153 -7.191 4.187 1.00 0.00 H new ATOM 0 HE ARG B 14 25.181 -5.466 3.037 1.00 0.00 H new ATOM 0 HH11 ARG B 14 24.031 -8.736 3.288 1.00 0.00 H new ATOM 0 HH12 ARG B 14 25.125 -9.359 2.049 1.00 0.00 H new ATOM 0 HH21 ARG B 14 26.770 -6.304 1.614 1.00 0.00 H new ATOM 0 HH22 ARG B 14 26.662 -7.994 1.109 1.00 0.00 H new ATOM 810 N PHE B 15 23.176 -2.625 5.402 1.00 0.00 N ATOM 811 CA PHE B 15 23.131 -1.448 4.490 1.00 0.00 C ATOM 812 C PHE B 15 23.169 -0.158 5.311 1.00 0.00 C ATOM 813 O PHE B 15 23.965 0.726 5.063 1.00 0.00 O ATOM 814 CB PHE B 15 21.805 -1.569 3.740 1.00 0.00 C ATOM 815 CG PHE B 15 21.563 -0.306 2.950 1.00 0.00 C ATOM 816 CD1 PHE B 15 22.126 -0.158 1.677 1.00 0.00 C ATOM 817 CD2 PHE B 15 20.779 0.720 3.492 1.00 0.00 C ATOM 818 CE1 PHE B 15 21.904 1.015 0.945 1.00 0.00 C ATOM 819 CE2 PHE B 15 20.558 1.893 2.761 1.00 0.00 C ATOM 820 CZ PHE B 15 21.121 2.041 1.488 1.00 0.00 C ATOM 0 H PHE B 15 22.404 -3.284 5.302 1.00 0.00 H new ATOM 0 HA PHE B 15 23.978 -1.421 3.804 1.00 0.00 H new ATOM 0 HB2 PHE B 15 21.829 -2.430 3.073 1.00 0.00 H new ATOM 0 HB3 PHE B 15 20.989 -1.733 4.444 1.00 0.00 H new ATOM 0 HD1 PHE B 15 22.732 -0.949 1.259 1.00 0.00 H new ATOM 0 HD2 PHE B 15 20.345 0.606 4.474 1.00 0.00 H new ATOM 0 HE1 PHE B 15 22.337 1.128 -0.038 1.00 0.00 H new ATOM 0 HE2 PHE B 15 19.953 2.684 3.179 1.00 0.00 H new ATOM 0 HZ PHE B 15 20.951 2.947 0.925 1.00 0.00 H new ATOM 830 N GLU B 16 22.316 -0.046 6.294 1.00 0.00 N ATOM 831 CA GLU B 16 22.310 1.184 7.134 1.00 0.00 C ATOM 832 C GLU B 16 23.745 1.568 7.500 1.00 0.00 C ATOM 833 O GLU B 16 24.100 2.730 7.529 1.00 0.00 O ATOM 834 CB GLU B 16 21.518 0.806 8.387 1.00 0.00 C ATOM 835 CG GLU B 16 20.033 1.096 8.160 1.00 0.00 C ATOM 836 CD GLU B 16 19.786 2.602 8.253 1.00 0.00 C ATOM 837 OE1 GLU B 16 20.732 3.322 8.527 1.00 0.00 O ATOM 838 OE2 GLU B 16 18.654 3.011 8.050 1.00 0.00 O ATOM 0 H GLU B 16 21.625 -0.752 6.550 1.00 0.00 H new ATOM 0 HA GLU B 16 21.869 2.038 6.620 1.00 0.00 H new ATOM 0 HB2 GLU B 16 21.662 -0.250 8.616 1.00 0.00 H new ATOM 0 HB3 GLU B 16 21.883 1.371 9.245 1.00 0.00 H new ATOM 0 HG2 GLU B 16 19.725 0.726 7.182 1.00 0.00 H new ATOM 0 HG3 GLU B 16 19.432 0.572 8.903 1.00 0.00 H new ATOM 845 N GLN B 17 24.574 0.598 7.775 1.00 0.00 N ATOM 846 CA GLN B 17 25.988 0.907 8.133 1.00 0.00 C ATOM 847 C GLN B 17 26.693 1.565 6.944 1.00 0.00 C ATOM 848 O GLN B 17 27.373 2.562 7.088 1.00 0.00 O ATOM 849 CB GLN B 17 26.624 -0.446 8.454 1.00 0.00 C ATOM 850 CG GLN B 17 26.720 -0.619 9.971 1.00 0.00 C ATOM 851 CD GLN B 17 27.984 0.073 10.485 1.00 0.00 C ATOM 852 OE1 GLN B 17 29.076 -0.435 10.324 1.00 0.00 O ATOM 853 NE2 GLN B 17 27.882 1.219 11.101 1.00 0.00 N ATOM 0 H GLN B 17 24.334 -0.393 7.767 1.00 0.00 H new ATOM 0 HA GLN B 17 26.063 1.597 8.974 1.00 0.00 H new ATOM 0 HB2 GLN B 17 26.029 -1.251 8.023 1.00 0.00 H new ATOM 0 HB3 GLN B 17 27.616 -0.508 8.007 1.00 0.00 H new ATOM 0 HG2 GLN B 17 25.839 -0.195 10.452 1.00 0.00 H new ATOM 0 HG3 GLN B 17 26.743 -1.678 10.226 1.00 0.00 H new ATOM 0 HE21 GLN B 17 26.965 1.646 11.236 1.00 0.00 H new ATOM 0 HE22 GLN B 17 28.719 1.688 11.447 1.00 0.00 H new ATOM 862 N PHE B 18 26.534 1.017 5.769 1.00 0.00 N ATOM 863 CA PHE B 18 27.193 1.618 4.575 1.00 0.00 C ATOM 864 C PHE B 18 26.549 2.967 4.245 1.00 0.00 C ATOM 865 O PHE B 18 27.226 3.960 4.068 1.00 0.00 O ATOM 866 CB PHE B 18 26.960 0.617 3.440 1.00 0.00 C ATOM 867 CG PHE B 18 27.651 -0.695 3.749 1.00 0.00 C ATOM 868 CD1 PHE B 18 28.511 -0.804 4.852 1.00 0.00 C ATOM 869 CD2 PHE B 18 27.433 -1.806 2.924 1.00 0.00 C ATOM 870 CE1 PHE B 18 29.149 -2.019 5.126 1.00 0.00 C ATOM 871 CE2 PHE B 18 28.070 -3.021 3.200 1.00 0.00 C ATOM 872 CZ PHE B 18 28.928 -3.128 4.301 1.00 0.00 C ATOM 0 H PHE B 18 25.978 0.182 5.585 1.00 0.00 H new ATOM 0 HA PHE B 18 28.255 1.802 4.738 1.00 0.00 H new ATOM 0 HB2 PHE B 18 25.891 0.451 3.306 1.00 0.00 H new ATOM 0 HB3 PHE B 18 27.339 1.024 2.503 1.00 0.00 H new ATOM 0 HD1 PHE B 18 28.681 0.051 5.490 1.00 0.00 H new ATOM 0 HD2 PHE B 18 26.772 -1.725 2.074 1.00 0.00 H new ATOM 0 HE1 PHE B 18 29.812 -2.101 5.974 1.00 0.00 H new ATOM 0 HE2 PHE B 18 27.900 -3.877 2.563 1.00 0.00 H new ATOM 0 HZ PHE B 18 29.419 -4.066 4.514 1.00 0.00 H new ATOM 882 N ARG B 19 25.245 3.014 4.166 1.00 0.00 N ATOM 883 CA ARG B 19 24.567 4.305 3.854 1.00 0.00 C ATOM 884 C ARG B 19 25.206 5.435 4.663 1.00 0.00 C ATOM 885 O ARG B 19 25.817 6.333 4.117 1.00 0.00 O ATOM 886 CB ARG B 19 23.109 4.103 4.271 1.00 0.00 C ATOM 887 CG ARG B 19 22.304 5.363 3.943 1.00 0.00 C ATOM 888 CD ARG B 19 22.379 5.641 2.439 1.00 0.00 C ATOM 889 NE ARG B 19 21.561 6.869 2.235 1.00 0.00 N ATOM 890 CZ ARG B 19 22.119 7.955 1.772 1.00 0.00 C ATOM 891 NH1 ARG B 19 22.237 8.131 0.485 1.00 0.00 N ATOM 892 NH2 ARG B 19 22.558 8.866 2.598 1.00 0.00 N ATOM 0 H ARG B 19 24.623 2.217 4.304 1.00 0.00 H new ATOM 0 HA ARG B 19 24.651 4.575 2.801 1.00 0.00 H new ATOM 0 HB2 ARG B 19 22.687 3.243 3.751 1.00 0.00 H new ATOM 0 HB3 ARG B 19 23.051 3.889 5.338 1.00 0.00 H new ATOM 0 HG2 ARG B 19 21.266 5.233 4.248 1.00 0.00 H new ATOM 0 HG3 ARG B 19 22.696 6.213 4.501 1.00 0.00 H new ATOM 0 HD2 ARG B 19 23.409 5.794 2.116 1.00 0.00 H new ATOM 0 HD3 ARG B 19 21.986 4.804 1.862 1.00 0.00 H new ATOM 0 HE ARG B 19 20.565 6.862 2.457 1.00 0.00 H new ATOM 0 HH11 ARG B 19 21.893 7.420 -0.161 1.00 0.00 H new ATOM 0 HH12 ARG B 19 22.673 8.980 0.124 1.00 0.00 H new ATOM 0 HH21 ARG B 19 22.465 8.729 3.604 1.00 0.00 H new ATOM 0 HH22 ARG B 19 22.994 9.714 2.237 1.00 0.00 H new ATOM 906 N GLU B 20 25.081 5.393 5.962 1.00 0.00 N ATOM 907 CA GLU B 20 25.694 6.462 6.800 1.00 0.00 C ATOM 908 C GLU B 20 27.171 6.616 6.433 1.00 0.00 C ATOM 909 O GLU B 20 27.713 7.703 6.434 1.00 0.00 O ATOM 910 CB GLU B 20 25.544 5.976 8.242 1.00 0.00 C ATOM 911 CG GLU B 20 25.189 7.159 9.145 1.00 0.00 C ATOM 912 CD GLU B 20 24.434 6.654 10.376 1.00 0.00 C ATOM 913 OE1 GLU B 20 23.518 5.867 10.203 1.00 0.00 O ATOM 914 OE2 GLU B 20 24.784 7.063 11.471 1.00 0.00 O ATOM 0 H GLU B 20 24.583 4.667 6.477 1.00 0.00 H new ATOM 0 HA GLU B 20 25.220 7.433 6.654 1.00 0.00 H new ATOM 0 HB2 GLU B 20 24.767 5.214 8.301 1.00 0.00 H new ATOM 0 HB3 GLU B 20 26.471 5.513 8.579 1.00 0.00 H new ATOM 0 HG2 GLU B 20 26.095 7.682 9.450 1.00 0.00 H new ATOM 0 HG3 GLU B 20 24.576 7.876 8.599 1.00 0.00 H new ATOM 921 N ARG B 21 27.824 5.532 6.111 1.00 0.00 N ATOM 922 CA ARG B 21 29.263 5.613 5.734 1.00 0.00 C ATOM 923 C ARG B 21 29.411 6.413 4.439 1.00 0.00 C ATOM 924 O ARG B 21 30.190 7.342 4.357 1.00 0.00 O ATOM 925 CB ARG B 21 29.702 4.164 5.525 1.00 0.00 C ATOM 926 CG ARG B 21 30.901 3.859 6.425 1.00 0.00 C ATOM 927 CD ARG B 21 30.535 4.150 7.882 1.00 0.00 C ATOM 928 NE ARG B 21 31.415 3.256 8.685 1.00 0.00 N ATOM 929 CZ ARG B 21 31.831 3.636 9.862 1.00 0.00 C ATOM 930 NH1 ARG B 21 31.077 4.396 10.608 1.00 0.00 N ATOM 931 NH2 ARG B 21 33.003 3.254 10.294 1.00 0.00 N ATOM 0 H ARG B 21 27.423 4.594 6.093 1.00 0.00 H new ATOM 0 HA ARG B 21 29.867 6.111 6.492 1.00 0.00 H new ATOM 0 HB2 ARG B 21 28.879 3.487 5.755 1.00 0.00 H new ATOM 0 HB3 ARG B 21 29.967 4.000 4.480 1.00 0.00 H new ATOM 0 HG2 ARG B 21 31.195 2.815 6.315 1.00 0.00 H new ATOM 0 HG3 ARG B 21 31.756 4.465 6.126 1.00 0.00 H new ATOM 0 HD2 ARG B 21 30.705 5.198 8.130 1.00 0.00 H new ATOM 0 HD3 ARG B 21 29.482 3.944 8.074 1.00 0.00 H new ATOM 0 HE ARG B 21 31.692 2.347 8.315 1.00 0.00 H new ATOM 0 HH11 ARG B 21 30.161 4.694 10.271 1.00 0.00 H new ATOM 0 HH12 ARG B 21 31.403 4.692 11.528 1.00 0.00 H new ATOM 0 HH21 ARG B 21 33.592 2.659 9.711 1.00 0.00 H new ATOM 0 HH22 ARG B 21 33.329 3.551 11.214 1.00 0.00 H new ATOM 945 N ASN B 22 28.661 6.067 3.428 1.00 0.00 N ATOM 946 CA ASN B 22 28.753 6.817 2.144 1.00 0.00 C ATOM 947 C ASN B 22 28.775 8.320 2.430 1.00 0.00 C ATOM 948 O ASN B 22 29.618 9.044 1.940 1.00 0.00 O ATOM 949 CB ASN B 22 27.493 6.434 1.368 1.00 0.00 C ATOM 950 CG ASN B 22 27.267 7.433 0.232 1.00 0.00 C ATOM 951 OD1 ASN B 22 26.738 8.505 0.447 1.00 0.00 O ATOM 952 ND2 ASN B 22 27.650 7.126 -0.977 1.00 0.00 N ATOM 0 H ASN B 22 27.990 5.299 3.436 1.00 0.00 H new ATOM 0 HA ASN B 22 29.657 6.580 1.583 1.00 0.00 H new ATOM 0 HB2 ASN B 22 27.594 5.426 0.965 1.00 0.00 H new ATOM 0 HB3 ASN B 22 26.631 6.425 2.035 1.00 0.00 H new ATOM 0 HD21 ASN B 22 27.505 7.786 -1.741 1.00 0.00 H new ATOM 0 HD22 ASN B 22 28.094 6.226 -1.158 1.00 0.00 H new ATOM 959 N GLU B 23 27.857 8.790 3.230 1.00 0.00 N ATOM 960 CA GLU B 23 27.828 10.243 3.558 1.00 0.00 C ATOM 961 C GLU B 23 29.191 10.678 4.099 1.00 0.00 C ATOM 962 O GLU B 23 29.820 11.577 3.576 1.00 0.00 O ATOM 963 CB GLU B 23 26.751 10.384 4.635 1.00 0.00 C ATOM 964 CG GLU B 23 26.373 11.858 4.790 1.00 0.00 C ATOM 965 CD GLU B 23 25.932 12.417 3.436 1.00 0.00 C ATOM 966 OE1 GLU B 23 24.974 11.899 2.887 1.00 0.00 O ATOM 967 OE2 GLU B 23 26.560 13.354 2.972 1.00 0.00 O ATOM 0 H GLU B 23 27.126 8.231 3.670 1.00 0.00 H new ATOM 0 HA GLU B 23 27.614 10.864 2.689 1.00 0.00 H new ATOM 0 HB2 GLU B 23 25.872 9.799 4.364 1.00 0.00 H new ATOM 0 HB3 GLU B 23 27.116 9.990 5.583 1.00 0.00 H new ATOM 0 HG2 GLU B 23 25.569 11.964 5.518 1.00 0.00 H new ATOM 0 HG3 GLU B 23 27.223 12.424 5.170 1.00 0.00 H new ATOM 974 N ALA B 24 29.656 10.041 5.140 1.00 0.00 N ATOM 975 CA ALA B 24 30.983 10.413 5.709 1.00 0.00 C ATOM 976 C ALA B 24 32.069 10.245 4.644 1.00 0.00 C ATOM 977 O ALA B 24 32.872 11.128 4.416 1.00 0.00 O ATOM 978 CB ALA B 24 31.208 9.436 6.864 1.00 0.00 C ATOM 0 H ALA B 24 29.175 9.280 5.620 1.00 0.00 H new ATOM 0 HA ALA B 24 31.018 11.450 6.044 1.00 0.00 H new ATOM 0 HB1 ALA B 24 32.168 9.646 7.336 1.00 0.00 H new ATOM 0 HB2 ALA B 24 30.410 9.550 7.598 1.00 0.00 H new ATOM 0 HB3 ALA B 24 31.207 8.415 6.482 1.00 0.00 H new ATOM 984 N LEU B 25 32.095 9.118 3.985 1.00 0.00 N ATOM 985 CA LEU B 25 33.123 8.895 2.929 1.00 0.00 C ATOM 986 C LEU B 25 32.949 9.923 1.809 1.00 0.00 C ATOM 987 O LEU B 25 33.909 10.419 1.253 1.00 0.00 O ATOM 988 CB LEU B 25 32.859 7.482 2.409 1.00 0.00 C ATOM 989 CG LEU B 25 33.832 6.505 3.070 1.00 0.00 C ATOM 990 CD1 LEU B 25 35.270 6.933 2.769 1.00 0.00 C ATOM 991 CD2 LEU B 25 33.606 6.506 4.584 1.00 0.00 C ATOM 0 H LEU B 25 31.449 8.343 4.132 1.00 0.00 H new ATOM 0 HA LEU B 25 34.139 9.002 3.308 1.00 0.00 H new ATOM 0 HB2 LEU B 25 31.831 7.190 2.625 1.00 0.00 H new ATOM 0 HB3 LEU B 25 32.978 7.453 1.326 1.00 0.00 H new ATOM 0 HG LEU B 25 33.662 5.502 2.677 1.00 0.00 H new ATOM 0 HD11 LEU B 25 35.963 6.236 3.240 1.00 0.00 H new ATOM 0 HD12 LEU B 25 35.432 6.932 1.691 1.00 0.00 H new ATOM 0 HD13 LEU B 25 35.441 7.936 3.161 1.00 0.00 H new ATOM 0 HD21 LEU B 25 34.299 5.810 5.056 1.00 0.00 H new ATOM 0 HD22 LEU B 25 33.775 7.509 4.976 1.00 0.00 H new ATOM 0 HD23 LEU B 25 32.582 6.200 4.799 1.00 0.00 H new ATOM 1003 N GLU B 26 31.729 10.248 1.476 1.00 0.00 N ATOM 1004 CA GLU B 26 31.493 11.247 0.396 1.00 0.00 C ATOM 1005 C GLU B 26 32.314 12.510 0.667 1.00 0.00 C ATOM 1006 O GLU B 26 33.016 13.003 -0.194 1.00 0.00 O ATOM 1007 CB GLU B 26 29.996 11.555 0.459 1.00 0.00 C ATOM 1008 CG GLU B 26 29.639 12.580 -0.620 1.00 0.00 C ATOM 1009 CD GLU B 26 28.323 13.269 -0.254 1.00 0.00 C ATOM 1010 OE1 GLU B 26 28.320 14.028 0.701 1.00 0.00 O ATOM 1011 OE2 GLU B 26 27.341 13.025 -0.935 1.00 0.00 O ATOM 0 H GLU B 26 30.887 9.865 1.905 1.00 0.00 H new ATOM 0 HA GLU B 26 31.788 10.876 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU B 26 29.420 10.642 0.313 1.00 0.00 H new ATOM 0 HB3 GLU B 26 29.735 11.942 1.444 1.00 0.00 H new ATOM 0 HG2 GLU B 26 30.435 13.319 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU B 26 29.547 12.088 -1.588 1.00 0.00 H new ATOM 1018 N LEU B 27 32.237 13.032 1.861 1.00 0.00 N ATOM 1019 CA LEU B 27 33.018 14.257 2.189 1.00 0.00 C ATOM 1020 C LEU B 27 34.508 13.916 2.274 1.00 0.00 C ATOM 1021 O LEU B 27 35.359 14.721 1.951 1.00 0.00 O ATOM 1022 CB LEU B 27 32.491 14.712 3.551 1.00 0.00 C ATOM 1023 CG LEU B 27 32.385 16.237 3.575 1.00 0.00 C ATOM 1024 CD1 LEU B 27 31.119 16.674 2.837 1.00 0.00 C ATOM 1025 CD2 LEU B 27 32.320 16.721 5.026 1.00 0.00 C ATOM 0 H LEU B 27 31.667 12.663 2.622 1.00 0.00 H new ATOM 0 HA LEU B 27 32.909 15.035 1.434 1.00 0.00 H new ATOM 0 HB2 LEU B 27 31.515 14.266 3.742 1.00 0.00 H new ATOM 0 HB3 LEU B 27 33.158 14.371 4.343 1.00 0.00 H new ATOM 0 HG LEU B 27 33.258 16.668 3.085 1.00 0.00 H new ATOM 0 HD11 LEU B 27 31.044 17.761 2.855 1.00 0.00 H new ATOM 0 HD12 LEU B 27 31.163 16.330 1.804 1.00 0.00 H new ATOM 0 HD13 LEU B 27 30.246 16.242 3.326 1.00 0.00 H new ATOM 0 HD21 LEU B 27 32.244 17.808 5.044 1.00 0.00 H new ATOM 0 HD22 LEU B 27 31.447 16.289 5.515 1.00 0.00 H new ATOM 0 HD23 LEU B 27 33.222 16.411 5.554 1.00 0.00 H new ATOM 1037 N LYS B 28 34.827 12.724 2.700 1.00 0.00 N ATOM 1038 CA LYS B 28 36.260 12.326 2.800 1.00 0.00 C ATOM 1039 C LYS B 28 36.922 12.414 1.422 1.00 0.00 C ATOM 1040 O LYS B 28 38.050 12.847 1.290 1.00 0.00 O ATOM 1041 CB LYS B 28 36.231 10.878 3.301 1.00 0.00 C ATOM 1042 CG LYS B 28 37.556 10.182 2.971 1.00 0.00 C ATOM 1043 CD LYS B 28 38.724 11.026 3.486 1.00 0.00 C ATOM 1044 CE LYS B 28 40.010 10.610 2.769 1.00 0.00 C ATOM 1045 NZ LYS B 28 41.110 10.998 3.695 1.00 0.00 N ATOM 0 H LYS B 28 34.157 12.009 2.983 1.00 0.00 H new ATOM 0 HA LYS B 28 36.831 12.972 3.467 1.00 0.00 H new ATOM 0 HB2 LYS B 28 36.060 10.860 4.377 1.00 0.00 H new ATOM 0 HB3 LYS B 28 35.403 10.341 2.838 1.00 0.00 H new ATOM 0 HG2 LYS B 28 37.581 9.192 3.427 1.00 0.00 H new ATOM 0 HG3 LYS B 28 37.645 10.040 1.894 1.00 0.00 H new ATOM 0 HD2 LYS B 28 38.525 12.084 3.314 1.00 0.00 H new ATOM 0 HD3 LYS B 28 38.836 10.893 4.562 1.00 0.00 H new ATOM 0 HE2 LYS B 28 40.022 9.539 2.569 1.00 0.00 H new ATOM 0 HE3 LYS B 28 40.107 11.115 1.808 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 42.026 10.744 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 41.078 12.024 3.861 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 40.996 10.497 4.599 1.00 0.00 H new ATOM 1059 N ASP B 29 36.227 12.009 0.394 1.00 0.00 N ATOM 1060 CA ASP B 29 36.813 12.072 -0.975 1.00 0.00 C ATOM 1061 C ASP B 29 36.760 13.507 -1.505 1.00 0.00 C ATOM 1062 O ASP B 29 37.732 14.027 -2.017 1.00 0.00 O ATOM 1063 CB ASP B 29 35.935 11.153 -1.825 1.00 0.00 C ATOM 1064 CG ASP B 29 36.622 9.795 -1.986 1.00 0.00 C ATOM 1065 OD1 ASP B 29 36.830 9.136 -0.981 1.00 0.00 O ATOM 1066 OD2 ASP B 29 36.927 9.438 -3.112 1.00 0.00 O ATOM 0 H ASP B 29 35.278 11.637 0.443 1.00 0.00 H new ATOM 0 HA ASP B 29 37.859 11.765 -0.992 1.00 0.00 H new ATOM 0 HB2 ASP B 29 34.960 11.026 -1.354 1.00 0.00 H new ATOM 0 HB3 ASP B 29 35.760 11.602 -2.803 1.00 0.00 H new ATOM 1071 N ALA B 30 35.632 14.152 -1.386 1.00 0.00 N ATOM 1072 CA ALA B 30 35.518 15.554 -1.882 1.00 0.00 C ATOM 1073 C ALA B 30 36.714 16.381 -1.403 1.00 0.00 C ATOM 1074 O ALA B 30 37.125 17.326 -2.047 1.00 0.00 O ATOM 1075 CB ALA B 30 34.220 16.084 -1.274 1.00 0.00 C ATOM 0 H ALA B 30 34.784 13.770 -0.967 1.00 0.00 H new ATOM 0 HA ALA B 30 35.509 15.609 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA B 30 34.063 17.115 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA B 30 33.384 15.470 -1.609 1.00 0.00 H new ATOM 0 HB3 ALA B 30 34.286 16.046 -0.187 1.00 0.00 H new ATOM 1081 N GLN B 31 37.276 16.033 -0.278 1.00 0.00 N ATOM 1082 CA GLN B 31 38.446 16.799 0.240 1.00 0.00 C ATOM 1083 C GLN B 31 39.562 16.830 -0.807 1.00 0.00 C ATOM 1084 O GLN B 31 39.784 17.829 -1.462 1.00 0.00 O ATOM 1085 CB GLN B 31 38.899 16.034 1.485 1.00 0.00 C ATOM 1086 CG GLN B 31 38.822 16.952 2.706 1.00 0.00 C ATOM 1087 CD GLN B 31 40.149 16.906 3.464 1.00 0.00 C ATOM 1088 OE1 GLN B 31 41.198 16.759 2.869 1.00 0.00 O ATOM 1089 NE2 GLN B 31 40.149 17.025 4.764 1.00 0.00 N ATOM 0 H GLN B 31 36.976 15.252 0.305 1.00 0.00 H new ATOM 0 HA GLN B 31 38.195 17.835 0.467 1.00 0.00 H new ATOM 0 HB2 GLN B 31 38.268 15.158 1.636 1.00 0.00 H new ATOM 0 HB3 GLN B 31 39.919 15.674 1.352 1.00 0.00 H new ATOM 0 HG2 GLN B 31 38.605 17.973 2.393 1.00 0.00 H new ATOM 0 HG3 GLN B 31 38.007 16.639 3.359 1.00 0.00 H new ATOM 0 HE21 GLN B 31 39.269 17.148 5.265 1.00 0.00 H new ATOM 0 HE22 GLN B 31 41.029 16.995 5.279 1.00 0.00 H new