USER MOD reduce.3.24.130724 H: found=0, std=0, add=128, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 126 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 1 VAL N :NH3+ -161:sc= -0.126 (180deg=-0.741) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 154:sc= 2.13 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.1!) USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= -0.109 (180deg=-0.573) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.446 -0.087 0.227 1.00 75.50 N ATOM 2 CA VAL A 1 0.523 0.137 -0.838 1.00 45.22 C ATOM 3 C VAL A 1 0.636 -1.083 -1.745 1.00 64.00 C ATOM 4 O VAL A 1 0.580 -0.967 -2.969 1.00 74.45 O ATOM 5 CB VAL A 1 1.915 0.471 -0.269 1.00 22.43 C ATOM 6 CG1 VAL A 1 2.870 0.863 -1.386 1.00 74.13 C ATOM 7 CG2 VAL A 1 1.814 1.577 0.770 1.00 2.13 C ATOM 0 H1 VAL A 1 -0.743 0.827 0.624 1.00 75.50 H new ATOM 0 H2 VAL A 1 -1.275 -0.584 -0.157 1.00 75.50 H new ATOM 0 H3 VAL A 1 -0.012 -0.664 0.975 1.00 75.50 H new ATOM 0 HA VAL A 1 0.163 0.986 -1.420 1.00 45.22 H new ATOM 0 HB VAL A 1 2.312 -0.420 0.219 1.00 22.43 H new ATOM 0 HG11 VAL A 1 3.848 1.095 -0.964 1.00 74.13 H new ATOM 0 HG12 VAL A 1 2.966 0.036 -2.090 1.00 74.13 H new ATOM 0 HG13 VAL A 1 2.482 1.739 -1.906 1.00 74.13 H new ATOM 0 HG21 VAL A 1 2.806 1.800 1.161 1.00 2.13 H new ATOM 0 HG22 VAL A 1 1.396 2.472 0.309 1.00 2.13 H new ATOM 0 HG23 VAL A 1 1.167 1.253 1.585 1.00 2.13 H new ATOM 17 N PHE A 2 0.796 -2.253 -1.136 1.00 23.21 N ATOM 18 CA PHE A 2 0.918 -3.496 -1.888 1.00 72.53 C ATOM 19 C PHE A 2 -0.321 -3.736 -2.747 1.00 45.42 C ATOM 20 O PHE A 2 -0.220 -4.187 -3.888 1.00 32.14 O ATOM 21 CB PHE A 2 1.127 -4.675 -0.936 1.00 21.52 C ATOM 22 CG PHE A 2 2.573 -4.997 -0.688 1.00 44.51 C ATOM 23 CD1 PHE A 2 3.344 -4.192 0.136 1.00 60.32 C ATOM 24 CD2 PHE A 2 3.162 -6.102 -1.280 1.00 23.41 C ATOM 25 CE1 PHE A 2 4.675 -4.485 0.366 1.00 21.12 C ATOM 26 CE2 PHE A 2 4.493 -6.400 -1.053 1.00 34.41 C ATOM 27 CZ PHE A 2 5.250 -5.590 -0.230 1.00 23.21 C ATOM 0 H PHE A 2 0.844 -2.366 -0.123 1.00 23.21 H new ATOM 0 HA PHE A 2 1.784 -3.410 -2.545 1.00 72.53 H new ATOM 0 HB2 PHE A 2 0.644 -4.453 0.016 1.00 21.52 H new ATOM 0 HB3 PHE A 2 0.632 -5.555 -1.347 1.00 21.52 H new ATOM 0 HD1 PHE A 2 2.900 -3.326 0.604 1.00 60.32 H new ATOM 0 HD2 PHE A 2 2.575 -6.738 -1.926 1.00 23.41 H new ATOM 0 HE1 PHE A 2 5.265 -3.850 1.011 1.00 21.12 H new ATOM 0 HE2 PHE A 2 4.940 -7.266 -1.519 1.00 34.41 H new ATOM 0 HZ PHE A 2 6.290 -5.820 -0.053 1.00 23.21 H new ATOM 37 N ALA A 3 -1.488 -3.430 -2.190 1.00 43.21 N ATOM 38 CA ALA A 3 -2.746 -3.610 -2.904 1.00 45.33 C ATOM 39 C ALA A 3 -2.727 -2.877 -4.241 1.00 54.43 C ATOM 40 O ALA A 3 -3.053 -3.452 -5.280 1.00 14.52 O ATOM 41 CB ALA A 3 -3.910 -3.128 -2.052 1.00 11.12 C ATOM 0 H ALA A 3 -1.588 -3.056 -1.246 1.00 43.21 H new ATOM 0 HA ALA A 3 -2.873 -4.674 -3.104 1.00 45.33 H new ATOM 0 HB1 ALA A 3 -4.843 -3.268 -2.598 1.00 11.12 H new ATOM 0 HB2 ALA A 3 -3.943 -3.699 -1.124 1.00 11.12 H new ATOM 0 HB3 ALA A 3 -3.780 -2.070 -1.823 1.00 11.12 H new ATOM 47 N SER A 4 -2.345 -1.604 -4.208 1.00 61.01 N ATOM 48 CA SER A 4 -2.289 -0.791 -5.417 1.00 42.12 C ATOM 49 C SER A 4 -1.231 -1.322 -6.380 1.00 52.33 C ATOM 50 O SER A 4 -1.439 -1.351 -7.594 1.00 63.41 O ATOM 51 CB SER A 4 -1.987 0.667 -5.064 1.00 31.35 C ATOM 52 OG SER A 4 -2.729 1.080 -3.929 1.00 3.11 O ATOM 0 H SER A 4 -2.070 -1.114 -3.357 1.00 61.01 H new ATOM 0 HA SER A 4 -3.261 -0.845 -5.906 1.00 42.12 H new ATOM 0 HB2 SER A 4 -0.921 0.784 -4.868 1.00 31.35 H new ATOM 0 HB3 SER A 4 -2.227 1.307 -5.913 1.00 31.35 H new ATOM 0 HG SER A 4 -2.518 2.014 -3.722 1.00 3.11 H new ATOM 58 N LEU A 5 -0.097 -1.740 -5.831 1.00 25.04 N ATOM 59 CA LEU A 5 0.995 -2.270 -6.639 1.00 65.55 C ATOM 60 C LEU A 5 0.699 -3.699 -7.085 1.00 41.10 C ATOM 61 O LEU A 5 -0.119 -4.403 -6.493 1.00 14.30 O ATOM 62 CB LEU A 5 2.306 -2.232 -5.851 1.00 52.42 C ATOM 63 CG LEU A 5 3.053 -0.897 -5.856 1.00 72.32 C ATOM 64 CD1 LEU A 5 4.240 -0.946 -4.907 1.00 34.45 C ATOM 65 CD2 LEU A 5 3.509 -0.547 -7.265 1.00 13.40 C ATOM 0 H LEU A 5 0.091 -1.722 -4.829 1.00 25.04 H new ATOM 0 HA LEU A 5 1.093 -1.644 -7.526 1.00 65.55 H new ATOM 0 HB2 LEU A 5 2.093 -2.503 -4.817 1.00 52.42 H new ATOM 0 HB3 LEU A 5 2.970 -2.999 -6.251 1.00 52.42 H new ATOM 0 HG LEU A 5 2.371 -0.119 -5.512 1.00 72.32 H new ATOM 0 HD11 LEU A 5 4.759 0.012 -4.924 1.00 34.45 H new ATOM 0 HD12 LEU A 5 3.889 -1.151 -3.896 1.00 34.45 H new ATOM 0 HD13 LEU A 5 4.924 -1.735 -5.220 1.00 34.45 H new ATOM 0 HD21 LEU A 5 4.039 0.406 -7.250 1.00 13.40 H new ATOM 0 HD22 LEU A 5 4.175 -1.326 -7.636 1.00 13.40 H new ATOM 0 HD23 LEU A 5 2.641 -0.469 -7.920 1.00 13.40 H new ATOM 77 N PRO A 6 1.381 -4.140 -8.153 1.00 1.44 N ATOM 78 CA PRO A 6 1.210 -5.489 -8.700 1.00 11.24 C ATOM 79 C PRO A 6 1.770 -6.564 -7.775 1.00 72.42 C ATOM 80 O PRO A 6 1.550 -7.756 -7.989 1.00 3.03 O ATOM 81 CB PRO A 6 2.002 -5.444 -10.009 1.00 14.21 C ATOM 82 CG PRO A 6 3.021 -4.378 -9.799 1.00 13.31 C ATOM 83 CD PRO A 6 2.372 -3.355 -8.908 1.00 4.24 C ATOM 0 HA PRO A 6 0.159 -5.746 -8.831 1.00 11.24 H new ATOM 0 HB2 PRO A 6 2.472 -6.405 -10.221 1.00 14.21 H new ATOM 0 HB3 PRO A 6 1.355 -5.212 -10.855 1.00 14.21 H new ATOM 0 HG2 PRO A 6 3.921 -4.784 -9.336 1.00 13.31 H new ATOM 0 HG3 PRO A 6 3.323 -3.934 -10.748 1.00 13.31 H new ATOM 0 HD2 PRO A 6 3.097 -2.880 -8.247 1.00 4.24 H new ATOM 0 HD3 PRO A 6 1.900 -2.561 -9.486 1.00 4.24 H new ATOM 91 N GLY A 7 2.494 -6.136 -6.746 1.00 45.41 N ATOM 92 CA GLY A 7 3.074 -7.075 -5.804 1.00 63.23 C ATOM 93 C GLY A 7 2.051 -8.047 -5.251 1.00 23.31 C ATOM 94 O GLY A 7 0.852 -7.898 -5.488 1.00 1.04 O ATOM 0 H GLY A 7 2.689 -5.155 -6.548 1.00 45.41 H new ATOM 0 HA2 GLY A 7 3.872 -7.632 -6.295 1.00 63.23 H new ATOM 0 HA3 GLY A 7 3.530 -6.525 -4.981 1.00 63.23 H new ATOM 98 N ILE A 8 2.525 -9.046 -4.514 1.00 31.13 N ATOM 99 CA ILE A 8 1.642 -10.046 -3.926 1.00 64.42 C ATOM 100 C ILE A 8 0.713 -9.420 -2.892 1.00 72.13 C ATOM 101 O ILE A 8 1.082 -8.465 -2.208 1.00 64.05 O ATOM 102 CB ILE A 8 2.442 -11.181 -3.260 1.00 64.30 C ATOM 103 CG1 ILE A 8 3.331 -10.623 -2.147 1.00 4.10 C ATOM 104 CG2 ILE A 8 3.280 -11.917 -4.295 1.00 71.32 C ATOM 105 CD1 ILE A 8 4.141 -11.682 -1.432 1.00 45.41 C ATOM 0 H ILE A 8 3.515 -9.184 -4.310 1.00 31.13 H new ATOM 0 HA ILE A 8 1.048 -10.460 -4.741 1.00 64.42 H new ATOM 0 HB ILE A 8 1.740 -11.889 -2.819 1.00 64.30 H new ATOM 0 HG12 ILE A 8 4.010 -9.883 -2.572 1.00 4.10 H new ATOM 0 HG13 ILE A 8 2.706 -10.103 -1.421 1.00 4.10 H new ATOM 0 HG21 ILE A 8 3.839 -12.716 -3.809 1.00 71.32 H new ATOM 0 HG22 ILE A 8 2.626 -12.343 -5.056 1.00 71.32 H new ATOM 0 HG23 ILE A 8 3.975 -11.220 -4.763 1.00 71.32 H new ATOM 0 HD11 ILE A 8 4.747 -11.214 -0.656 1.00 45.41 H new ATOM 0 HD12 ILE A 8 3.468 -12.409 -0.978 1.00 45.41 H new ATOM 0 HD13 ILE A 8 4.792 -12.186 -2.146 1.00 45.41 H new ATOM 117 N ILE A 9 -0.494 -9.965 -2.782 1.00 61.34 N ATOM 118 CA ILE A 9 -1.475 -9.462 -1.830 1.00 12.24 C ATOM 119 C ILE A 9 -1.245 -10.049 -0.441 1.00 72.33 C ATOM 120 O ILE A 9 -2.016 -9.799 0.486 1.00 63.21 O ATOM 121 CB ILE A 9 -2.913 -9.783 -2.279 1.00 62.30 C ATOM 122 CG1 ILE A 9 -3.304 -11.196 -1.839 1.00 50.33 C ATOM 123 CG2 ILE A 9 -3.041 -9.638 -3.788 1.00 0.10 C ATOM 124 CD1 ILE A 9 -2.379 -12.270 -2.366 1.00 22.44 C ATOM 0 H ILE A 9 -0.815 -10.755 -3.341 1.00 61.34 H new ATOM 0 HA ILE A 9 -1.349 -8.380 -1.790 1.00 12.24 H new ATOM 0 HB ILE A 9 -3.593 -9.074 -1.806 1.00 62.30 H new ATOM 0 HG12 ILE A 9 -3.314 -11.239 -0.750 1.00 50.33 H new ATOM 0 HG13 ILE A 9 -4.319 -11.405 -2.176 1.00 50.33 H new ATOM 0 HG21 ILE A 9 -4.063 -9.868 -4.090 1.00 0.10 H new ATOM 0 HG22 ILE A 9 -2.799 -8.615 -4.077 1.00 0.10 H new ATOM 0 HG23 ILE A 9 -2.354 -10.327 -4.279 1.00 0.10 H new ATOM 0 HD11 ILE A 9 -2.716 -13.245 -2.015 1.00 22.44 H new ATOM 0 HD12 ILE A 9 -2.387 -12.254 -3.456 1.00 22.44 H new ATOM 0 HD13 ILE A 9 -1.366 -12.086 -2.008 1.00 22.44 H new ATOM 136 N PHE A 10 -0.179 -10.831 -0.305 1.00 1.43 N ATOM 137 CA PHE A 10 0.154 -11.454 0.971 1.00 10.41 C ATOM 138 C PHE A 10 0.267 -10.406 2.075 1.00 60.02 C ATOM 139 O PHE A 10 -0.327 -10.547 3.144 1.00 11.33 O ATOM 140 CB PHE A 10 1.466 -12.233 0.855 1.00 12.44 C ATOM 141 CG PHE A 10 1.288 -13.722 0.942 1.00 4.52 C ATOM 142 CD1 PHE A 10 0.285 -14.356 0.227 1.00 44.20 C ATOM 143 CD2 PHE A 10 2.125 -14.487 1.738 1.00 11.05 C ATOM 144 CE1 PHE A 10 0.120 -15.726 0.306 1.00 54.42 C ATOM 145 CE2 PHE A 10 1.964 -15.857 1.821 1.00 62.31 C ATOM 146 CZ PHE A 10 0.961 -16.477 1.103 1.00 72.53 C ATOM 0 H PHE A 10 0.469 -11.048 -1.062 1.00 1.43 H new ATOM 0 HA PHE A 10 -0.649 -12.144 1.231 1.00 10.41 H new ATOM 0 HB2 PHE A 10 1.943 -11.987 -0.094 1.00 12.44 H new ATOM 0 HB3 PHE A 10 2.143 -11.909 1.646 1.00 12.44 H new ATOM 0 HD1 PHE A 10 -0.375 -13.774 -0.399 1.00 44.20 H new ATOM 0 HD2 PHE A 10 2.912 -14.007 2.300 1.00 11.05 H new ATOM 0 HE1 PHE A 10 -0.666 -16.209 -0.255 1.00 54.42 H new ATOM 0 HE2 PHE A 10 2.622 -16.442 2.447 1.00 62.31 H new ATOM 0 HZ PHE A 10 0.834 -17.548 1.165 1.00 72.53 H new ATOM 156 N THR A 11 1.035 -9.354 1.808 1.00 61.22 N ATOM 157 CA THR A 11 1.229 -8.283 2.777 1.00 35.33 C ATOM 158 C THR A 11 -0.097 -7.624 3.140 1.00 51.32 C ATOM 159 O THR A 11 -0.347 -7.310 4.304 1.00 52.24 O ATOM 160 CB THR A 11 2.194 -7.209 2.242 1.00 22.05 C ATOM 161 OG1 THR A 11 2.917 -7.717 1.116 1.00 63.40 O ATOM 162 CG2 THR A 11 3.171 -6.773 3.324 1.00 42.11 C ATOM 0 H THR A 11 1.533 -9.221 0.928 1.00 61.22 H new ATOM 0 HA THR A 11 1.662 -8.737 3.668 1.00 35.33 H new ATOM 0 HB THR A 11 1.606 -6.344 1.935 1.00 22.05 H new ATOM 0 HG1 THR A 11 3.194 -6.972 0.542 1.00 63.40 H new ATOM 0 HG21 THR A 11 3.843 -6.014 2.923 1.00 42.11 H new ATOM 0 HG22 THR A 11 2.619 -6.360 4.168 1.00 42.11 H new ATOM 0 HG23 THR A 11 3.752 -7.633 3.657 1.00 42.11 H new ATOM 170 N ARG A 12 -0.944 -7.417 2.136 1.00 4.24 N ATOM 171 CA ARG A 12 -2.244 -6.794 2.350 1.00 12.32 C ATOM 172 C ARG A 12 -3.133 -7.676 3.222 1.00 72.24 C ATOM 173 O ARG A 12 -3.768 -7.199 4.162 1.00 53.33 O ATOM 174 CB ARG A 12 -2.931 -6.525 1.010 1.00 11.31 C ATOM 175 CG ARG A 12 -2.332 -5.357 0.242 1.00 35.53 C ATOM 176 CD ARG A 12 -2.529 -4.044 0.983 1.00 22.01 C ATOM 177 NE ARG A 12 -1.372 -3.702 1.807 1.00 52.15 N ATOM 178 CZ ARG A 12 -1.315 -2.625 2.581 1.00 4.45 C ATOM 179 NH1 ARG A 12 -2.343 -1.789 2.639 1.00 63.33 N ATOM 180 NH2 ARG A 12 -0.227 -2.381 3.302 1.00 70.23 N ATOM 0 H ARG A 12 -0.753 -7.672 1.167 1.00 4.24 H new ATOM 0 HA ARG A 12 -2.085 -5.847 2.865 1.00 12.32 H new ATOM 0 HB2 ARG A 12 -2.872 -7.422 0.394 1.00 11.31 H new ATOM 0 HB3 ARG A 12 -3.989 -6.329 1.186 1.00 11.31 H new ATOM 0 HG2 ARG A 12 -1.268 -5.531 0.085 1.00 35.53 H new ATOM 0 HG3 ARG A 12 -2.794 -5.293 -0.743 1.00 35.53 H new ATOM 0 HD2 ARG A 12 -2.711 -3.245 0.264 1.00 22.01 H new ATOM 0 HD3 ARG A 12 -3.416 -4.113 1.613 1.00 22.01 H new ATOM 0 HE ARG A 12 -0.564 -4.325 1.786 1.00 52.15 H new ATOM 0 HH11 ARG A 12 -3.181 -1.973 2.088 1.00 63.33 H new ATOM 0 HH12 ARG A 12 -2.295 -0.963 3.235 1.00 63.33 H new ATOM 0 HH21 ARG A 12 0.566 -3.021 3.261 1.00 70.23 H new ATOM 0 HH22 ARG A 12 -0.184 -1.553 3.896 1.00 70.23 H new ATOM 194 N SER A 13 -3.173 -8.966 2.902 1.00 53.31 N ATOM 195 CA SER A 13 -3.988 -9.914 3.652 1.00 24.44 C ATOM 196 C SER A 13 -3.501 -10.026 5.094 1.00 33.12 C ATOM 197 O SER A 13 -4.300 -10.027 6.031 1.00 62.23 O ATOM 198 CB SER A 13 -3.954 -11.290 2.983 1.00 42.41 C ATOM 199 OG SER A 13 -5.112 -12.041 3.302 1.00 0.03 O ATOM 0 H SER A 13 -2.651 -9.378 2.129 1.00 53.31 H new ATOM 0 HA SER A 13 -5.014 -9.547 3.660 1.00 24.44 H new ATOM 0 HB2 SER A 13 -3.881 -11.171 1.902 1.00 42.41 H new ATOM 0 HB3 SER A 13 -3.065 -11.832 3.305 1.00 42.41 H new ATOM 0 HG SER A 13 -5.067 -12.915 2.861 1.00 0.03 H new ATOM 205 N GLN A 14 -2.186 -10.120 5.263 1.00 53.21 N ATOM 206 CA GLN A 14 -1.593 -10.233 6.590 1.00 11.21 C ATOM 207 C GLN A 14 -2.036 -9.079 7.484 1.00 23.22 C ATOM 208 O GLN A 14 -2.360 -9.276 8.655 1.00 30.35 O ATOM 209 CB GLN A 14 -0.067 -10.259 6.489 1.00 0.11 C ATOM 210 CG GLN A 14 0.484 -11.564 5.937 1.00 10.40 C ATOM 211 CD GLN A 14 1.867 -11.405 5.336 1.00 31.54 C ATOM 212 OE1 GLN A 14 2.454 -10.324 5.377 1.00 2.05 O ATOM 213 NE2 GLN A 14 2.395 -12.486 4.774 1.00 45.01 N ATOM 0 H GLN A 14 -1.511 -10.120 4.498 1.00 53.21 H new ATOM 0 HA GLN A 14 -1.936 -11.166 7.036 1.00 11.21 H new ATOM 0 HB2 GLN A 14 0.261 -9.438 5.852 1.00 0.11 H new ATOM 0 HB3 GLN A 14 0.357 -10.084 7.478 1.00 0.11 H new ATOM 0 HG2 GLN A 14 0.522 -12.305 6.736 1.00 10.40 H new ATOM 0 HG3 GLN A 14 -0.196 -11.949 5.177 1.00 10.40 H new ATOM 0 HE21 GLN A 14 1.872 -13.362 4.763 1.00 45.01 H new ATOM 0 HE22 GLN A 14 3.323 -12.441 4.354 1.00 45.01 H new ATOM 222 N LYS A 15 -2.047 -7.874 6.925 1.00 65.13 N ATOM 223 CA LYS A 15 -2.450 -6.688 7.670 1.00 50.40 C ATOM 224 C LYS A 15 -3.868 -6.840 8.210 1.00 75.43 C ATOM 225 O LYS A 15 -4.156 -6.452 9.341 1.00 32.23 O ATOM 226 CB LYS A 15 -2.363 -5.446 6.779 1.00 21.40 C ATOM 227 CG LYS A 15 -2.120 -4.160 7.550 1.00 71.33 C ATOM 228 CD LYS A 15 -3.426 -3.519 7.989 1.00 5.24 C ATOM 229 CE LYS A 15 -3.991 -2.609 6.909 1.00 32.54 C ATOM 230 NZ LYS A 15 -3.108 -1.439 6.651 1.00 2.33 N ATOM 0 H LYS A 15 -1.781 -7.693 5.957 1.00 65.13 H new ATOM 0 HA LYS A 15 -1.769 -6.571 8.513 1.00 50.40 H new ATOM 0 HB2 LYS A 15 -1.559 -5.584 6.056 1.00 21.40 H new ATOM 0 HB3 LYS A 15 -3.289 -5.350 6.212 1.00 21.40 H new ATOM 0 HG2 LYS A 15 -1.504 -4.370 8.425 1.00 71.33 H new ATOM 0 HG3 LYS A 15 -1.562 -3.461 6.927 1.00 71.33 H new ATOM 0 HD2 LYS A 15 -4.152 -4.296 8.228 1.00 5.24 H new ATOM 0 HD3 LYS A 15 -3.262 -2.945 8.901 1.00 5.24 H new ATOM 0 HE2 LYS A 15 -4.120 -3.176 5.987 1.00 32.54 H new ATOM 0 HE3 LYS A 15 -4.979 -2.259 7.209 1.00 32.54 H new ATOM 0 HZ1 LYS A 15 -3.670 -0.663 6.246 1.00 2.33 H new ATOM 0 HZ2 LYS A 15 -2.677 -1.125 7.544 1.00 2.33 H new ATOM 0 HZ3 LYS A 15 -2.359 -1.710 5.982 1.00 2.33 H new