USER MOD reduce.3.24.130724 H: found=0, std=0, add=256, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 256 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 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.118 K(o=-0.12,f=-0.75) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0382 X(o=-0.038,f=-0.089) USER MOD Single : A 32 LYS NZ :NH3+ 150:sc= -0.179 (180deg=-1.23!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 74 N ALA A 5 45.731 4.188 9.726 1.00 0.00 N ATOM 75 CA ALA A 5 45.334 5.566 9.321 1.00 0.00 C ATOM 76 C ALA A 5 44.172 5.503 8.328 1.00 0.00 C ATOM 77 O ALA A 5 44.355 5.230 7.158 1.00 0.00 O ATOM 78 CB ALA A 5 46.572 6.163 8.658 1.00 0.00 C ATOM 0 HA ALA A 5 45.002 6.166 10.168 1.00 0.00 H new ATOM 0 HB1 ALA A 5 46.355 7.180 8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 5 47.396 6.178 9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 5 46.850 5.558 7.795 1.00 0.00 H new ATOM 84 N CYS A 6 42.980 5.750 8.788 1.00 0.00 N ATOM 85 CA CYS A 6 41.804 5.702 7.876 1.00 0.00 C ATOM 86 C CYS A 6 41.924 6.785 6.802 1.00 0.00 C ATOM 87 O CYS A 6 41.376 6.665 5.724 1.00 0.00 O ATOM 88 CB CYS A 6 40.598 5.969 8.777 1.00 0.00 C ATOM 89 SG CYS A 6 39.078 5.564 7.883 1.00 0.00 S ATOM 0 H CYS A 6 42.768 5.984 9.758 1.00 0.00 H new ATOM 0 HA CYS A 6 41.721 4.748 7.355 1.00 0.00 H new ATOM 0 HB2 CYS A 6 40.669 5.370 9.685 1.00 0.00 H new ATOM 0 HB3 CYS A 6 40.584 7.015 9.085 1.00 0.00 H new ATOM 94 N TYR A 7 42.636 7.838 7.087 1.00 0.00 N ATOM 95 CA TYR A 7 42.792 8.926 6.081 1.00 0.00 C ATOM 96 C TYR A 7 43.545 8.404 4.855 1.00 0.00 C ATOM 97 O TYR A 7 43.232 8.742 3.731 1.00 0.00 O ATOM 98 CB TYR A 7 43.606 10.010 6.791 1.00 0.00 C ATOM 99 CG TYR A 7 44.021 11.060 5.788 1.00 0.00 C ATOM 100 CD1 TYR A 7 43.093 12.009 5.345 1.00 0.00 C ATOM 101 CD2 TYR A 7 45.334 11.082 5.302 1.00 0.00 C ATOM 102 CE1 TYR A 7 43.478 12.982 4.414 1.00 0.00 C ATOM 103 CE2 TYR A 7 45.718 12.055 4.371 1.00 0.00 C ATOM 104 CZ TYR A 7 44.790 13.004 3.927 1.00 0.00 C ATOM 105 OH TYR A 7 45.168 13.963 3.009 1.00 0.00 O ATOM 0 H TYR A 7 43.117 7.993 7.973 1.00 0.00 H new ATOM 0 HA TYR A 7 41.833 9.305 5.728 1.00 0.00 H new ATOM 0 HB2 TYR A 7 43.014 10.464 7.586 1.00 0.00 H new ATOM 0 HB3 TYR A 7 44.486 9.571 7.260 1.00 0.00 H new ATOM 0 HD1 TYR A 7 42.081 11.991 5.721 1.00 0.00 H new ATOM 0 HD2 TYR A 7 46.050 10.349 5.645 1.00 0.00 H new ATOM 0 HE1 TYR A 7 42.763 13.715 4.072 1.00 0.00 H new ATOM 0 HE2 TYR A 7 46.730 12.073 3.996 1.00 0.00 H new ATOM 0 HH TYR A 7 46.111 13.838 2.775 1.00 0.00 H new ATOM 115 N ARG A 8 44.535 7.578 5.062 1.00 0.00 N ATOM 116 CA ARG A 8 45.305 7.031 3.908 1.00 0.00 C ATOM 117 C ARG A 8 44.364 6.296 2.951 1.00 0.00 C ATOM 118 O ARG A 8 44.545 6.312 1.749 1.00 0.00 O ATOM 119 CB ARG A 8 46.309 6.057 4.528 1.00 0.00 C ATOM 120 CG ARG A 8 47.306 5.604 3.461 1.00 0.00 C ATOM 121 CD ARG A 8 48.351 4.684 4.098 1.00 0.00 C ATOM 122 NE ARG A 8 49.275 4.325 2.985 1.00 0.00 N ATOM 123 CZ ARG A 8 50.419 3.751 3.244 1.00 0.00 C ATOM 124 NH1 ARG A 8 50.543 2.986 4.294 1.00 0.00 N ATOM 125 NH2 ARG A 8 51.439 3.941 2.451 1.00 0.00 N ATOM 0 H ARG A 8 44.844 7.258 5.980 1.00 0.00 H new ATOM 0 HA ARG A 8 45.800 7.812 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 8 46.836 6.537 5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 8 45.787 5.195 4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.785 5.080 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.793 6.470 3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 8 48.882 5.189 4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 8 47.887 3.796 4.528 1.00 0.00 H new ATOM 0 HE ARG A 8 49.014 4.528 2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 8 49.746 2.836 4.913 1.00 0.00 H new ATOM 0 HH12 ARG A 8 51.437 2.538 4.496 1.00 0.00 H new ATOM 0 HH21 ARG A 8 51.342 4.538 1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 8 52.333 3.493 2.653 1.00 0.00 H new ATOM 139 N GLU A 9 43.358 5.652 3.475 1.00 0.00 N ATOM 140 CA GLU A 9 42.402 4.916 2.599 1.00 0.00 C ATOM 141 C GLU A 9 41.758 5.878 1.598 1.00 0.00 C ATOM 142 O GLU A 9 41.390 5.498 0.505 1.00 0.00 O ATOM 143 CB GLU A 9 41.353 4.343 3.553 1.00 0.00 C ATOM 144 CG GLU A 9 42.005 3.286 4.448 1.00 0.00 C ATOM 145 CD GLU A 9 40.977 2.758 5.451 1.00 0.00 C ATOM 146 OE1 GLU A 9 39.891 3.312 5.503 1.00 0.00 O ATOM 147 OE2 GLU A 9 41.293 1.809 6.149 1.00 0.00 O ATOM 0 H GLU A 9 43.156 5.603 4.474 1.00 0.00 H new ATOM 0 HA GLU A 9 42.889 4.134 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 9 40.926 5.139 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 9 40.533 3.901 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 9 42.389 2.467 3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 9 42.856 3.717 4.976 1.00 0.00 H new ATOM 154 N GLY A 10 41.622 7.124 1.962 1.00 0.00 N ATOM 155 CA GLY A 10 41.006 8.110 1.029 1.00 0.00 C ATOM 156 C GLY A 10 39.571 8.407 1.469 1.00 0.00 C ATOM 157 O GLY A 10 38.810 9.032 0.756 1.00 0.00 O ATOM 0 H GLY A 10 41.911 7.502 2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 10 41.591 9.030 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 10 41.011 7.716 0.013 1.00 0.00 H new ATOM 161 N GLY A 11 39.194 7.967 2.638 1.00 0.00 N ATOM 162 CA GLY A 11 37.808 8.228 3.120 1.00 0.00 C ATOM 163 C GLY A 11 37.648 9.718 3.425 1.00 0.00 C ATOM 164 O GLY A 11 38.551 10.504 3.217 1.00 0.00 O ATOM 0 H GLY A 11 39.785 7.439 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 11 37.085 7.920 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 11 37.605 7.639 4.014 1.00 0.00 H new ATOM 168 N GLU A 12 36.507 10.113 3.921 1.00 0.00 N ATOM 169 CA GLU A 12 36.293 11.554 4.240 1.00 0.00 C ATOM 170 C GLU A 12 36.234 11.750 5.757 1.00 0.00 C ATOM 171 O GLU A 12 35.522 11.056 6.454 1.00 0.00 O ATOM 172 CB GLU A 12 34.949 11.905 3.602 1.00 0.00 C ATOM 173 CG GLU A 12 34.715 13.413 3.708 1.00 0.00 C ATOM 174 CD GLU A 12 35.803 14.154 2.928 1.00 0.00 C ATOM 175 OE1 GLU A 12 36.541 13.498 2.211 1.00 0.00 O ATOM 176 OE2 GLU A 12 35.879 15.364 3.060 1.00 0.00 O ATOM 0 H GLU A 12 35.715 9.502 4.119 1.00 0.00 H new ATOM 0 HA GLU A 12 37.098 12.187 3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 12 34.939 11.597 2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 12 34.145 11.365 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 12 33.732 13.668 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 12 34.728 13.721 4.753 1.00 0.00 H new ATOM 183 N CYS A 13 36.980 12.687 6.275 1.00 0.00 N ATOM 184 CA CYS A 13 36.962 12.919 7.747 1.00 0.00 C ATOM 185 C CYS A 13 36.196 14.204 8.073 1.00 0.00 C ATOM 186 O CYS A 13 36.387 15.228 7.450 1.00 0.00 O ATOM 187 CB CYS A 13 38.432 13.050 8.149 1.00 0.00 C ATOM 188 SG CYS A 13 39.274 11.468 7.888 1.00 0.00 S ATOM 0 H CYS A 13 37.599 13.300 5.745 1.00 0.00 H new ATOM 0 HA CYS A 13 36.465 12.111 8.285 1.00 0.00 H new ATOM 0 HB2 CYS A 13 38.913 13.831 7.560 1.00 0.00 H new ATOM 0 HB3 CYS A 13 38.509 13.347 9.195 1.00 0.00 H new ATOM 193 N LEU A 14 35.326 14.156 9.046 1.00 0.00 N ATOM 194 CA LEU A 14 34.545 15.374 9.408 1.00 0.00 C ATOM 195 C LEU A 14 34.802 15.757 10.866 1.00 0.00 C ATOM 196 O LEU A 14 35.082 14.917 11.698 1.00 0.00 O ATOM 197 CB LEU A 14 33.080 14.980 9.220 1.00 0.00 C ATOM 198 CG LEU A 14 32.767 14.831 7.730 1.00 0.00 C ATOM 199 CD1 LEU A 14 33.219 16.089 6.984 1.00 0.00 C ATOM 200 CD2 LEU A 14 33.503 13.611 7.168 1.00 0.00 C ATOM 0 H LEU A 14 35.123 13.327 9.605 1.00 0.00 H new ATOM 0 HA LEU A 14 34.823 16.232 8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 14 32.877 14.043 9.738 1.00 0.00 H new ATOM 0 HB3 LEU A 14 32.432 15.736 9.663 1.00 0.00 H new ATOM 0 HG LEU A 14 31.693 14.697 7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 14 32.996 15.982 5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 14 32.691 16.956 7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.292 16.225 7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 14 33.278 13.507 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 14 34.577 13.741 7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 14 33.178 12.715 7.697 1.00 0.00 H new ATOM 212 N GLN A 15 34.696 17.018 11.183 1.00 0.00 N ATOM 213 CA GLN A 15 34.921 17.450 12.591 1.00 0.00 C ATOM 214 C GLN A 15 33.799 16.909 13.480 1.00 0.00 C ATOM 215 O GLN A 15 33.967 16.724 14.669 1.00 0.00 O ATOM 216 CB GLN A 15 34.888 18.978 12.546 1.00 0.00 C ATOM 217 CG GLN A 15 36.143 19.488 11.836 1.00 0.00 C ATOM 218 CD GLN A 15 36.092 21.013 11.740 1.00 0.00 C ATOM 219 OE1 GLN A 15 35.533 21.556 10.807 1.00 0.00 O ATOM 220 NE2 GLN A 15 36.654 21.733 12.672 1.00 0.00 N ATOM 0 H GLN A 15 34.464 17.766 10.530 1.00 0.00 H new ATOM 0 HA GLN A 15 35.862 17.080 13.000 1.00 0.00 H new ATOM 0 HB2 GLN A 15 33.995 19.319 12.022 1.00 0.00 H new ATOM 0 HB3 GLN A 15 34.838 19.382 13.557 1.00 0.00 H new ATOM 0 HG2 GLN A 15 37.034 19.177 12.382 1.00 0.00 H new ATOM 0 HG3 GLN A 15 36.212 19.053 10.839 1.00 0.00 H new ATOM 0 HE21 GLN A 15 37.123 21.278 13.455 1.00 0.00 H new ATOM 0 HE22 GLN A 15 36.624 22.751 12.618 1.00 0.00 H new ATOM 229 N ARG A 16 32.658 16.647 12.905 1.00 0.00 N ATOM 230 CA ARG A 16 31.521 16.107 13.704 1.00 0.00 C ATOM 231 C ARG A 16 30.699 15.137 12.851 1.00 0.00 C ATOM 232 O ARG A 16 29.521 15.338 12.632 1.00 0.00 O ATOM 233 CB ARG A 16 30.685 17.330 14.087 1.00 0.00 C ATOM 234 CG ARG A 16 31.538 18.294 14.914 1.00 0.00 C ATOM 235 CD ARG A 16 30.666 19.446 15.418 1.00 0.00 C ATOM 236 NE ARG A 16 30.189 20.133 14.183 1.00 0.00 N ATOM 237 CZ ARG A 16 29.448 21.205 14.276 1.00 0.00 C ATOM 238 NH1 ARG A 16 29.836 22.203 15.024 1.00 0.00 N ATOM 239 NH2 ARG A 16 28.322 21.278 13.623 1.00 0.00 N ATOM 0 H ARG A 16 32.463 16.784 11.913 1.00 0.00 H new ATOM 0 HA ARG A 16 31.855 15.556 14.583 1.00 0.00 H new ATOM 0 HB2 ARG A 16 30.320 17.829 13.190 1.00 0.00 H new ATOM 0 HB3 ARG A 16 29.810 17.021 14.658 1.00 0.00 H new ATOM 0 HG2 ARG A 16 31.986 17.768 15.757 1.00 0.00 H new ATOM 0 HG3 ARG A 16 32.357 18.682 14.309 1.00 0.00 H new ATOM 0 HD2 ARG A 16 29.830 19.078 16.014 1.00 0.00 H new ATOM 0 HD3 ARG A 16 31.236 20.125 16.053 1.00 0.00 H new ATOM 0 HE ARG A 16 30.441 19.766 13.265 1.00 0.00 H new ATOM 0 HH11 ARG A 16 30.717 22.145 15.535 1.00 0.00 H new ATOM 0 HH12 ARG A 16 29.258 23.040 15.097 1.00 0.00 H new ATOM 0 HH21 ARG A 16 28.019 20.498 13.039 1.00 0.00 H new ATOM 0 HH22 ARG A 16 27.744 22.115 13.696 1.00 0.00 H new ATOM 253 N CYS A 17 31.319 14.090 12.363 1.00 0.00 N ATOM 254 CA CYS A 17 30.591 13.097 11.516 1.00 0.00 C ATOM 255 C CYS A 17 29.155 12.914 12.016 1.00 0.00 C ATOM 256 O CYS A 17 28.921 12.564 13.157 1.00 0.00 O ATOM 257 CB CYS A 17 31.382 11.797 11.664 1.00 0.00 C ATOM 258 SG CYS A 17 30.739 10.561 10.507 1.00 0.00 S ATOM 0 H CYS A 17 32.305 13.880 12.517 1.00 0.00 H new ATOM 0 HA CYS A 17 30.521 13.418 10.477 1.00 0.00 H new ATOM 0 HB2 CYS A 17 32.439 11.978 11.468 1.00 0.00 H new ATOM 0 HB3 CYS A 17 31.306 11.427 12.687 1.00 0.00 H new ATOM 263 N ILE A 18 28.193 13.158 11.169 1.00 0.00 N ATOM 264 CA ILE A 18 26.769 13.010 11.586 1.00 0.00 C ATOM 265 C ILE A 18 26.380 11.530 11.618 1.00 0.00 C ATOM 266 O ILE A 18 27.118 10.675 11.172 1.00 0.00 O ATOM 267 CB ILE A 18 25.965 13.751 10.515 1.00 0.00 C ATOM 268 CG1 ILE A 18 26.529 15.163 10.332 1.00 0.00 C ATOM 269 CG2 ILE A 18 24.500 13.842 10.947 1.00 0.00 C ATOM 270 CD1 ILE A 18 25.872 15.816 9.113 1.00 0.00 C ATOM 0 H ILE A 18 28.332 13.454 10.203 1.00 0.00 H new ATOM 0 HA ILE A 18 26.586 13.409 12.584 1.00 0.00 H new ATOM 0 HB ILE A 18 26.035 13.208 9.573 1.00 0.00 H new ATOM 0 HG12 ILE A 18 26.342 15.760 11.224 1.00 0.00 H new ATOM 0 HG13 ILE A 18 27.610 15.121 10.198 1.00 0.00 H new ATOM 0 HG21 ILE A 18 23.928 14.370 10.184 1.00 0.00 H new ATOM 0 HG22 ILE A 18 24.095 12.838 11.074 1.00 0.00 H new ATOM 0 HG23 ILE A 18 24.432 14.383 11.891 1.00 0.00 H new ATOM 0 HD11 ILE A 18 26.271 16.822 8.980 1.00 0.00 H new ATOM 0 HD12 ILE A 18 26.082 15.221 8.224 1.00 0.00 H new ATOM 0 HD13 ILE A 18 24.794 15.871 9.266 1.00 0.00 H new ATOM 282 N GLY A 19 25.224 11.222 12.140 1.00 0.00 N ATOM 283 CA GLY A 19 24.790 9.799 12.194 1.00 0.00 C ATOM 284 C GLY A 19 24.746 9.231 10.777 1.00 0.00 C ATOM 285 O GLY A 19 25.279 8.176 10.499 1.00 0.00 O ATOM 0 H GLY A 19 24.563 11.894 12.531 1.00 0.00 H new ATOM 0 HA2 GLY A 19 25.479 9.220 12.809 1.00 0.00 H new ATOM 0 HA3 GLY A 19 23.807 9.724 12.659 1.00 0.00 H new ATOM 289 N LEU A 20 24.115 9.931 9.878 1.00 0.00 N ATOM 290 CA LEU A 20 24.032 9.445 8.471 1.00 0.00 C ATOM 291 C LEU A 20 25.386 8.894 8.021 1.00 0.00 C ATOM 292 O LEU A 20 25.467 7.891 7.341 1.00 0.00 O ATOM 293 CB LEU A 20 23.654 10.677 7.648 1.00 0.00 C ATOM 294 CG LEU A 20 23.440 10.271 6.188 1.00 0.00 C ATOM 295 CD1 LEU A 20 22.541 9.035 6.130 1.00 0.00 C ATOM 296 CD2 LEU A 20 22.775 11.422 5.428 1.00 0.00 C ATOM 0 H LEU A 20 23.651 10.822 10.056 1.00 0.00 H new ATOM 0 HA LEU A 20 23.307 8.639 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 20 22.746 11.129 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 20 24.441 11.428 7.716 1.00 0.00 H new ATOM 0 HG LEU A 20 24.403 10.043 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.388 8.745 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 20 23.015 8.215 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.579 9.263 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 20 22.623 11.132 4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.812 11.652 5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 20 23.415 12.303 5.469 1.00 0.00 H new ATOM 308 N PHE A 21 26.449 9.546 8.396 1.00 0.00 N ATOM 309 CA PHE A 21 27.801 9.066 7.993 1.00 0.00 C ATOM 310 C PHE A 21 28.271 7.956 8.936 1.00 0.00 C ATOM 311 O PHE A 21 28.067 8.016 10.132 1.00 0.00 O ATOM 312 CB PHE A 21 28.712 10.287 8.118 1.00 0.00 C ATOM 313 CG PHE A 21 28.429 11.246 6.987 1.00 0.00 C ATOM 314 CD1 PHE A 21 28.989 11.025 5.724 1.00 0.00 C ATOM 315 CD2 PHE A 21 27.609 12.360 7.204 1.00 0.00 C ATOM 316 CE1 PHE A 21 28.729 11.917 4.677 1.00 0.00 C ATOM 317 CE2 PHE A 21 27.348 13.251 6.157 1.00 0.00 C ATOM 318 CZ PHE A 21 27.908 13.031 4.893 1.00 0.00 C ATOM 0 H PHE A 21 26.441 10.392 8.965 1.00 0.00 H new ATOM 0 HA PHE A 21 27.805 8.654 6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 21 28.547 10.780 9.076 1.00 0.00 H new ATOM 0 HB3 PHE A 21 29.757 9.978 8.094 1.00 0.00 H new ATOM 0 HD1 PHE A 21 29.622 10.166 5.557 1.00 0.00 H new ATOM 0 HD2 PHE A 21 27.178 12.532 8.179 1.00 0.00 H new ATOM 0 HE1 PHE A 21 29.162 11.746 3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 21 26.714 14.109 6.324 1.00 0.00 H new ATOM 0 HZ PHE A 21 27.707 13.719 4.085 1.00 0.00 H new ATOM 328 N HIS A 22 28.904 6.947 8.406 1.00 0.00 N ATOM 329 CA HIS A 22 29.393 5.838 9.272 1.00 0.00 C ATOM 330 C HIS A 22 30.872 6.050 9.595 1.00 0.00 C ATOM 331 O HIS A 22 31.649 6.449 8.751 1.00 0.00 O ATOM 332 CB HIS A 22 29.197 4.572 8.441 1.00 0.00 C ATOM 333 CG HIS A 22 27.750 4.452 8.050 1.00 0.00 C ATOM 334 ND1 HIS A 22 27.241 5.055 6.910 1.00 0.00 N ATOM 335 CD2 HIS A 22 26.690 3.805 8.636 1.00 0.00 C ATOM 336 CE1 HIS A 22 25.930 4.761 6.847 1.00 0.00 C ATOM 337 NE2 HIS A 22 25.542 4.002 7.874 1.00 0.00 N ATOM 0 H HIS A 22 29.104 6.842 7.411 1.00 0.00 H new ATOM 0 HA HIS A 22 28.862 5.782 10.222 1.00 0.00 H new ATOM 0 HB2 HIS A 22 29.824 4.607 7.550 1.00 0.00 H new ATOM 0 HB3 HIS A 22 29.505 3.697 9.013 1.00 0.00 H new ATOM 0 HD2 HIS A 22 26.740 3.231 9.549 1.00 0.00 H new ATOM 0 HE1 HIS A 22 25.271 5.098 6.061 1.00 0.00 H new ATOM 0 HE2 HIS A 22 24.605 3.643 8.060 1.00 0.00 H new ATOM 345 N LYS A 23 31.270 5.797 10.810 1.00 0.00 N ATOM 346 CA LYS A 23 32.700 5.998 11.174 1.00 0.00 C ATOM 347 C LYS A 23 33.479 4.687 11.038 1.00 0.00 C ATOM 348 O LYS A 23 33.195 3.713 11.705 1.00 0.00 O ATOM 349 CB LYS A 23 32.686 6.454 12.632 1.00 0.00 C ATOM 350 CG LYS A 23 34.120 6.739 13.085 1.00 0.00 C ATOM 351 CD LYS A 23 34.154 6.937 14.601 1.00 0.00 C ATOM 352 CE LYS A 23 35.609 7.030 15.065 1.00 0.00 C ATOM 353 NZ LYS A 23 35.572 6.692 16.515 1.00 0.00 N ATOM 0 H LYS A 23 30.670 5.461 11.564 1.00 0.00 H new ATOM 0 HA LYS A 23 33.184 6.725 10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 23 32.073 7.349 12.739 1.00 0.00 H new ATOM 0 HB3 LYS A 23 32.239 5.685 13.262 1.00 0.00 H new ATOM 0 HG2 LYS A 23 34.772 5.912 12.802 1.00 0.00 H new ATOM 0 HG3 LYS A 23 34.499 7.630 12.584 1.00 0.00 H new ATOM 0 HD2 LYS A 23 33.615 7.844 14.873 1.00 0.00 H new ATOM 0 HD3 LYS A 23 33.653 6.107 15.099 1.00 0.00 H new ATOM 0 HE2 LYS A 23 36.244 6.337 14.514 1.00 0.00 H new ATOM 0 HE3 LYS A 23 36.012 8.030 14.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 36.535 6.734 16.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 34.965 7.373 17.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 35.190 5.732 16.638 1.00 0.00 H new ATOM 367 N ILE A 24 34.470 4.663 10.192 1.00 0.00 N ATOM 368 CA ILE A 24 35.277 3.420 10.032 1.00 0.00 C ATOM 369 C ILE A 24 36.452 3.463 11.008 1.00 0.00 C ATOM 370 O ILE A 24 36.822 2.471 11.604 1.00 0.00 O ATOM 371 CB ILE A 24 35.787 3.442 8.589 1.00 0.00 C ATOM 372 CG1 ILE A 24 34.672 3.907 7.651 1.00 0.00 C ATOM 373 CG2 ILE A 24 36.235 2.035 8.193 1.00 0.00 C ATOM 374 CD1 ILE A 24 35.214 3.987 6.222 1.00 0.00 C ATOM 0 H ILE A 24 34.756 5.447 9.606 1.00 0.00 H new ATOM 0 HA ILE A 24 34.700 2.518 10.234 1.00 0.00 H new ATOM 0 HB ILE A 24 36.628 4.131 8.512 1.00 0.00 H new ATOM 0 HG12 ILE A 24 33.831 3.214 7.695 1.00 0.00 H new ATOM 0 HG13 ILE A 24 34.299 4.882 7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 24 36.599 2.045 7.166 1.00 0.00 H new ATOM 0 HG22 ILE A 24 37.034 1.707 8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 24 35.392 1.349 8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 24 34.422 4.318 5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 24 36.041 4.696 6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 24 35.566 3.003 5.911 1.00 0.00 H new ATOM 386 N GLY A 25 37.031 4.618 11.173 1.00 0.00 N ATOM 387 CA GLY A 25 38.179 4.762 12.108 1.00 0.00 C ATOM 388 C GLY A 25 38.384 6.247 12.415 1.00 0.00 C ATOM 389 O GLY A 25 37.517 7.063 12.173 1.00 0.00 O ATOM 0 H GLY A 25 36.755 5.476 10.696 1.00 0.00 H new ATOM 0 HA2 GLY A 25 37.988 4.210 13.028 1.00 0.00 H new ATOM 0 HA3 GLY A 25 39.081 4.340 11.665 1.00 0.00 H new ATOM 393 N THR A 26 39.519 6.608 12.945 1.00 0.00 N ATOM 394 CA THR A 26 39.761 8.045 13.260 1.00 0.00 C ATOM 395 C THR A 26 40.707 8.662 12.227 1.00 0.00 C ATOM 396 O THR A 26 41.324 7.970 11.441 1.00 0.00 O ATOM 397 CB THR A 26 40.405 8.047 14.645 1.00 0.00 C ATOM 398 OG1 THR A 26 39.598 7.299 15.544 1.00 0.00 O ATOM 399 CG2 THR A 26 40.531 9.486 15.148 1.00 0.00 C ATOM 0 H THR A 26 40.286 5.975 13.173 1.00 0.00 H new ATOM 0 HA THR A 26 38.842 8.631 13.238 1.00 0.00 H new ATOM 0 HB THR A 26 41.396 7.596 14.585 1.00 0.00 H new ATOM 0 HG1 THR A 26 40.012 7.299 16.432 1.00 0.00 H new ATOM 0 HG21 THR A 26 40.991 9.487 16.136 1.00 0.00 H new ATOM 0 HG22 THR A 26 41.151 10.059 14.459 1.00 0.00 H new ATOM 0 HG23 THR A 26 39.541 9.939 15.208 1.00 0.00 H new ATOM 407 N CYS A 27 40.828 9.959 12.229 1.00 0.00 N ATOM 408 CA CYS A 27 41.736 10.631 11.256 1.00 0.00 C ATOM 409 C CYS A 27 42.825 11.400 12.008 1.00 0.00 C ATOM 410 O CYS A 27 42.960 11.285 13.211 1.00 0.00 O ATOM 411 CB CYS A 27 40.842 11.595 10.475 1.00 0.00 C ATOM 412 SG CYS A 27 39.457 10.685 9.744 1.00 0.00 S ATOM 0 H CYS A 27 40.336 10.586 12.865 1.00 0.00 H new ATOM 0 HA CYS A 27 42.237 9.922 10.598 1.00 0.00 H new ATOM 0 HB2 CYS A 27 40.468 12.376 11.137 1.00 0.00 H new ATOM 0 HB3 CYS A 27 41.419 12.089 9.693 1.00 0.00 H new ATOM 417 N ASN A 28 43.605 12.181 11.312 1.00 0.00 N ATOM 418 CA ASN A 28 44.685 12.952 11.993 1.00 0.00 C ATOM 419 C ASN A 28 44.192 14.354 12.360 1.00 0.00 C ATOM 420 O ASN A 28 43.303 14.896 11.735 1.00 0.00 O ATOM 421 CB ASN A 28 45.816 13.026 10.967 1.00 0.00 C ATOM 422 CG ASN A 28 47.051 13.655 11.611 1.00 0.00 C ATOM 423 OD1 ASN A 28 47.527 13.186 12.628 1.00 0.00 O ATOM 424 ND2 ASN A 28 47.595 14.704 11.059 1.00 0.00 N ATOM 0 H ASN A 28 43.542 12.319 10.303 1.00 0.00 H new ATOM 0 HA ASN A 28 45.006 12.483 12.923 1.00 0.00 H new ATOM 0 HB2 ASN A 28 46.053 12.028 10.600 1.00 0.00 H new ATOM 0 HB3 ASN A 28 45.502 13.616 10.106 1.00 0.00 H new ATOM 0 HD21 ASN A 28 48.420 15.132 11.480 1.00 0.00 H new ATOM 0 HD22 ASN A 28 47.196 15.097 10.207 1.00 0.00 H new ATOM 431 N PHE A 29 44.768 14.945 13.376 1.00 0.00 N ATOM 432 CA PHE A 29 44.344 16.315 13.797 1.00 0.00 C ATOM 433 C PHE A 29 42.967 16.268 14.469 1.00 0.00 C ATOM 434 O PHE A 29 42.160 17.163 14.316 1.00 0.00 O ATOM 435 CB PHE A 29 44.293 17.135 12.506 1.00 0.00 C ATOM 436 CG PHE A 29 44.691 18.562 12.801 1.00 0.00 C ATOM 437 CD1 PHE A 29 43.799 19.418 13.459 1.00 0.00 C ATOM 438 CD2 PHE A 29 45.955 19.028 12.419 1.00 0.00 C ATOM 439 CE1 PHE A 29 44.171 20.739 13.735 1.00 0.00 C ATOM 440 CE2 PHE A 29 46.326 20.350 12.695 1.00 0.00 C ATOM 441 CZ PHE A 29 45.434 21.205 13.354 1.00 0.00 C ATOM 0 H PHE A 29 45.517 14.536 13.934 1.00 0.00 H new ATOM 0 HA PHE A 29 45.030 16.750 14.524 1.00 0.00 H new ATOM 0 HB2 PHE A 29 44.964 16.705 11.763 1.00 0.00 H new ATOM 0 HB3 PHE A 29 43.289 17.106 12.083 1.00 0.00 H new ATOM 0 HD1 PHE A 29 42.824 19.059 13.754 1.00 0.00 H new ATOM 0 HD2 PHE A 29 46.643 18.368 11.912 1.00 0.00 H new ATOM 0 HE1 PHE A 29 43.483 21.399 14.242 1.00 0.00 H new ATOM 0 HE2 PHE A 29 47.300 20.710 12.399 1.00 0.00 H new ATOM 0 HZ PHE A 29 45.721 22.224 13.568 1.00 0.00 H new ATOM 451 N ARG A 30 42.700 15.233 15.220 1.00 0.00 N ATOM 452 CA ARG A 30 41.382 15.117 15.917 1.00 0.00 C ATOM 453 C ARG A 30 40.227 15.101 14.911 1.00 0.00 C ATOM 454 O ARG A 30 39.280 15.852 15.029 1.00 0.00 O ATOM 455 CB ARG A 30 41.292 16.351 16.820 1.00 0.00 C ATOM 456 CG ARG A 30 42.402 16.298 17.869 1.00 0.00 C ATOM 457 CD ARG A 30 42.271 17.499 18.809 1.00 0.00 C ATOM 458 NE ARG A 30 43.377 17.336 19.793 1.00 0.00 N ATOM 459 CZ ARG A 30 43.588 18.256 20.695 1.00 0.00 C ATOM 460 NH1 ARG A 30 42.579 18.814 21.307 1.00 0.00 N ATOM 461 NH2 ARG A 30 44.807 18.619 20.985 1.00 0.00 N ATOM 0 H ARG A 30 43.342 14.457 15.383 1.00 0.00 H new ATOM 0 HA ARG A 30 41.309 14.189 16.484 1.00 0.00 H new ATOM 0 HB2 ARG A 30 41.384 17.259 16.223 1.00 0.00 H new ATOM 0 HB3 ARG A 30 40.318 16.388 17.308 1.00 0.00 H new ATOM 0 HG2 ARG A 30 42.337 15.369 18.436 1.00 0.00 H new ATOM 0 HG3 ARG A 30 43.378 16.307 17.383 1.00 0.00 H new ATOM 0 HD2 ARG A 30 42.362 18.439 18.265 1.00 0.00 H new ATOM 0 HD3 ARG A 30 41.300 17.510 19.304 1.00 0.00 H new ATOM 0 HE ARG A 30 43.969 16.506 19.762 1.00 0.00 H new ATOM 0 HH11 ARG A 30 41.625 18.531 21.081 1.00 0.00 H new ATOM 0 HH12 ARG A 30 42.744 19.533 22.012 1.00 0.00 H new ATOM 0 HH21 ARG A 30 45.596 18.184 20.507 1.00 0.00 H new ATOM 0 HH22 ARG A 30 44.971 19.338 21.690 1.00 0.00 H new ATOM 475 N PHE A 31 40.290 14.241 13.931 1.00 0.00 N ATOM 476 CA PHE A 31 39.184 14.170 12.929 1.00 0.00 C ATOM 477 C PHE A 31 38.658 12.738 12.838 1.00 0.00 C ATOM 478 O PHE A 31 39.412 11.791 12.880 1.00 0.00 O ATOM 479 CB PHE A 31 39.814 14.581 11.598 1.00 0.00 C ATOM 480 CG PHE A 31 39.801 16.084 11.475 1.00 0.00 C ATOM 481 CD1 PHE A 31 40.862 16.829 11.995 1.00 0.00 C ATOM 482 CD2 PHE A 31 38.734 16.730 10.840 1.00 0.00 C ATOM 483 CE1 PHE A 31 40.860 18.224 11.883 1.00 0.00 C ATOM 484 CE2 PHE A 31 38.730 18.125 10.727 1.00 0.00 C ATOM 485 CZ PHE A 31 39.794 18.872 11.249 1.00 0.00 C ATOM 0 H PHE A 31 41.057 13.585 13.780 1.00 0.00 H new ATOM 0 HA PHE A 31 38.346 14.813 13.198 1.00 0.00 H new ATOM 0 HB2 PHE A 31 40.837 14.210 11.538 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.264 14.133 10.770 1.00 0.00 H new ATOM 0 HD1 PHE A 31 41.685 16.328 12.484 1.00 0.00 H new ATOM 0 HD2 PHE A 31 37.915 16.153 10.438 1.00 0.00 H new ATOM 0 HE1 PHE A 31 41.680 18.800 12.285 1.00 0.00 H new ATOM 0 HE2 PHE A 31 37.907 18.625 10.238 1.00 0.00 H new ATOM 0 HZ PHE A 31 39.792 19.948 11.162 1.00 0.00 H new ATOM 495 N LYS A 32 37.374 12.569 12.705 1.00 0.00 N ATOM 496 CA LYS A 32 36.822 11.189 12.599 1.00 0.00 C ATOM 497 C LYS A 32 36.822 10.748 11.136 1.00 0.00 C ATOM 498 O LYS A 32 36.819 11.562 10.237 1.00 0.00 O ATOM 499 CB LYS A 32 35.394 11.284 13.129 1.00 0.00 C ATOM 500 CG LYS A 32 35.420 11.717 14.597 1.00 0.00 C ATOM 501 CD LYS A 32 35.909 10.555 15.461 1.00 0.00 C ATOM 502 CE LYS A 32 35.901 10.977 16.932 1.00 0.00 C ATOM 503 NZ LYS A 32 34.465 11.209 17.254 1.00 0.00 N ATOM 0 H LYS A 32 36.685 13.320 12.665 1.00 0.00 H new ATOM 0 HA LYS A 32 37.410 10.462 13.159 1.00 0.00 H new ATOM 0 HB2 LYS A 32 34.823 12.000 12.538 1.00 0.00 H new ATOM 0 HB3 LYS A 32 34.894 10.320 13.032 1.00 0.00 H new ATOM 0 HG2 LYS A 32 36.076 12.578 14.722 1.00 0.00 H new ATOM 0 HG3 LYS A 32 34.424 12.026 14.914 1.00 0.00 H new ATOM 0 HD2 LYS A 32 35.268 9.685 15.317 1.00 0.00 H new ATOM 0 HD3 LYS A 32 36.915 10.262 15.161 1.00 0.00 H new ATOM 0 HE2 LYS A 32 36.329 10.202 17.568 1.00 0.00 H new ATOM 0 HE3 LYS A 32 36.492 11.879 17.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 34.297 11.001 18.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 34.222 12.201 17.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 33.873 10.587 16.668 1.00 0.00 H new ATOM 517 N CYS A 33 36.823 9.469 10.889 1.00 0.00 N ATOM 518 CA CYS A 33 36.818 8.986 9.478 1.00 0.00 C ATOM 519 C CYS A 33 35.414 8.518 9.094 1.00 0.00 C ATOM 520 O CYS A 33 34.843 7.660 9.735 1.00 0.00 O ATOM 521 CB CYS A 33 37.798 7.812 9.451 1.00 0.00 C ATOM 522 SG CYS A 33 38.110 7.329 7.735 1.00 0.00 S ATOM 0 H CYS A 33 36.827 8.737 11.600 1.00 0.00 H new ATOM 0 HA CYS A 33 37.103 9.767 8.773 1.00 0.00 H new ATOM 0 HB2 CYS A 33 38.732 8.093 9.937 1.00 0.00 H new ATOM 0 HB3 CYS A 33 37.389 6.970 10.009 1.00 0.00 H new ATOM 527 N CYS A 34 34.849 9.075 8.059 1.00 0.00 N ATOM 528 CA CYS A 34 33.479 8.654 7.652 1.00 0.00 C ATOM 529 C CYS A 34 33.361 8.609 6.127 1.00 0.00 C ATOM 530 O CYS A 34 34.070 9.295 5.418 1.00 0.00 O ATOM 531 CB CYS A 34 32.549 9.721 8.231 1.00 0.00 C ATOM 532 SG CYS A 34 32.353 9.452 10.011 1.00 0.00 S ATOM 0 H CYS A 34 35.274 9.800 7.480 1.00 0.00 H new ATOM 0 HA CYS A 34 33.233 7.656 8.014 1.00 0.00 H new ATOM 0 HB2 CYS A 34 32.958 10.714 8.046 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.578 9.679 7.737 1.00 0.00 H new ATOM 537 N LYS A 35 32.468 7.805 5.622 1.00 0.00 N ATOM 538 CA LYS A 35 32.296 7.708 4.145 1.00 0.00 C ATOM 539 C LYS A 35 30.807 7.736 3.789 1.00 0.00 C ATOM 540 O LYS A 35 29.960 7.457 4.613 1.00 0.00 O ATOM 541 CB LYS A 35 32.914 6.364 3.764 1.00 0.00 C ATOM 542 CG LYS A 35 34.435 6.440 3.918 1.00 0.00 C ATOM 543 CD LYS A 35 35.057 5.109 3.493 1.00 0.00 C ATOM 544 CE LYS A 35 35.080 5.023 1.965 1.00 0.00 C ATOM 545 NZ LYS A 35 35.741 3.721 1.665 1.00 0.00 N ATOM 0 H LYS A 35 31.848 7.209 6.170 1.00 0.00 H new ATOM 0 HA LYS A 35 32.767 8.536 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 35 32.513 5.574 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.654 6.110 2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 35 34.833 7.251 3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 35 34.696 6.662 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 35 36.069 5.026 3.888 1.00 0.00 H new ATOM 0 HD3 LYS A 35 34.484 4.279 3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.072 5.059 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 35 35.632 5.856 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 35.795 3.588 0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 36.701 3.719 2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 35.189 2.946 2.086 1.00 0.00 H new ATOM 559 N PHE A 36 30.478 8.071 2.571 1.00 0.00 N ATOM 560 CA PHE A 36 29.040 8.112 2.179 1.00 0.00 C ATOM 561 C PHE A 36 28.730 7.001 1.173 1.00 0.00 C ATOM 562 O PHE A 36 29.370 6.881 0.147 1.00 0.00 O ATOM 563 CB PHE A 36 28.840 9.485 1.542 1.00 0.00 C ATOM 564 CG PHE A 36 27.392 9.645 1.146 1.00 0.00 C ATOM 565 CD1 PHE A 36 26.403 9.730 2.133 1.00 0.00 C ATOM 566 CD2 PHE A 36 27.038 9.704 -0.207 1.00 0.00 C ATOM 567 CE1 PHE A 36 25.060 9.878 1.768 1.00 0.00 C ATOM 568 CE2 PHE A 36 25.694 9.852 -0.572 1.00 0.00 C ATOM 569 CZ PHE A 36 24.706 9.939 0.415 1.00 0.00 C ATOM 0 H PHE A 36 31.139 8.317 1.834 1.00 0.00 H new ATOM 0 HA PHE A 36 28.378 7.959 3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 36 29.126 10.269 2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 36 29.482 9.590 0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 36 26.676 9.681 3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 36 27.801 9.635 -0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 36 24.297 9.945 2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 36 25.420 9.899 -1.616 1.00 0.00 H new ATOM 0 HZ PHE A 36 23.670 10.053 0.133 1.00 0.00 H new ATOM 579 N GLN A 37 27.748 6.190 1.460 1.00 0.00 N ATOM 580 CA GLN A 37 27.392 5.087 0.522 1.00 0.00 C ATOM 581 C GLN A 37 26.430 5.595 -0.555 1.00 0.00 C ATOM 582 O GLN A 37 25.477 6.268 -0.200 1.00 0.00 O ATOM 583 CB GLN A 37 26.710 4.030 1.392 1.00 0.00 C ATOM 584 CG GLN A 37 26.184 2.903 0.502 1.00 0.00 C ATOM 585 CD GLN A 37 25.485 1.854 1.368 1.00 0.00 C ATOM 586 OE1 GLN A 37 25.931 0.726 1.456 1.00 0.00 O ATOM 587 NE2 GLN A 37 24.400 2.178 2.016 1.00 0.00 N ATOM 588 OXT GLN A 37 26.663 5.299 -1.716 1.00 0.00 O ATOM 0 H GLN A 37 27.177 6.244 2.303 1.00 0.00 H new ATOM 0 HA GLN A 37 28.265 4.689 0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 37 27.416 3.633 2.122 1.00 0.00 H new ATOM 0 HB3 GLN A 37 25.890 4.478 1.953 1.00 0.00 H new ATOM 0 HG2 GLN A 37 25.489 3.303 -0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 37 27.006 2.446 -0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 37 24.025 3.124 1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 37 23.926 1.485 2.596 1.00 0.00 H new