USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 248 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.613 K(o=-0.61,f=-6.6!) USER MOD Single : A 12 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.9!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -160:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.314 F(o=-1.5,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 10 N CYS A 2 -6.414 4.645 -1.802 1.00 0.00 N ATOM 11 CA CYS A 2 -5.455 3.521 -1.606 1.00 0.00 C ATOM 12 C CYS A 2 -5.126 3.353 -0.120 1.00 0.00 C ATOM 13 O CYS A 2 -5.726 3.974 0.734 1.00 0.00 O ATOM 14 CB CYS A 2 -4.202 3.919 -2.391 1.00 0.00 C ATOM 15 SG CYS A 2 -3.754 5.634 -2.011 1.00 0.00 S ATOM 0 HA CYS A 2 -5.864 2.571 -1.949 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.377 3.254 -2.137 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.382 3.810 -3.460 1.00 0.00 H new ATOM 20 N LEU A 3 -4.174 2.517 0.193 1.00 0.00 N ATOM 21 CA LEU A 3 -3.802 2.306 1.621 1.00 0.00 C ATOM 22 C LEU A 3 -2.613 3.202 1.989 1.00 0.00 C ATOM 23 O LEU A 3 -2.424 4.258 1.418 1.00 0.00 O ATOM 24 CB LEU A 3 -3.420 0.828 1.705 1.00 0.00 C ATOM 25 CG LEU A 3 -4.673 -0.037 1.550 1.00 0.00 C ATOM 26 CD1 LEU A 3 -4.437 -1.085 0.459 1.00 0.00 C ATOM 27 CD2 LEU A 3 -4.974 -0.742 2.876 1.00 0.00 C ATOM 0 H LEU A 3 -3.637 1.970 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.608 2.556 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.699 0.584 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.939 0.620 2.661 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.518 0.594 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.329 -1.702 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.222 -0.585 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.592 -1.715 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.866 -1.358 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.129 -1.373 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.141 0.003 3.654 1.00 0.00 H new ATOM 39 N GLU A 4 -1.810 2.798 2.941 1.00 0.00 N ATOM 40 CA GLU A 4 -0.644 3.641 3.335 1.00 0.00 C ATOM 41 C GLU A 4 0.639 3.137 2.667 1.00 0.00 C ATOM 42 O GLU A 4 0.606 2.356 1.739 1.00 0.00 O ATOM 43 CB GLU A 4 -0.547 3.505 4.853 1.00 0.00 C ATOM 44 CG GLU A 4 -0.594 4.895 5.490 1.00 0.00 C ATOM 45 CD GLU A 4 0.440 4.977 6.613 1.00 0.00 C ATOM 46 OE1 GLU A 4 0.892 3.933 7.053 1.00 0.00 O ATOM 47 OE2 GLU A 4 0.764 6.083 7.013 1.00 0.00 O ATOM 0 H GLU A 4 -1.912 1.925 3.459 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.770 4.678 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.367 2.893 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.379 2.999 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.391 5.658 4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.591 5.092 5.884 1.00 0.00 H new ATOM 54 N PHE A 5 1.766 3.597 3.131 1.00 0.00 N ATOM 55 CA PHE A 5 3.063 3.173 2.527 1.00 0.00 C ATOM 56 C PHE A 5 3.483 1.788 3.048 1.00 0.00 C ATOM 57 O PHE A 5 4.526 1.278 2.691 1.00 0.00 O ATOM 58 CB PHE A 5 4.050 4.281 2.951 1.00 0.00 C ATOM 59 CG PHE A 5 5.299 3.699 3.582 1.00 0.00 C ATOM 60 CD1 PHE A 5 5.284 3.295 4.923 1.00 0.00 C ATOM 61 CD2 PHE A 5 6.468 3.569 2.825 1.00 0.00 C ATOM 62 CE1 PHE A 5 6.440 2.760 5.506 1.00 0.00 C ATOM 63 CE2 PHE A 5 7.623 3.034 3.406 1.00 0.00 C ATOM 64 CZ PHE A 5 7.609 2.629 4.747 1.00 0.00 C ATOM 0 H PHE A 5 1.847 4.253 3.908 1.00 0.00 H new ATOM 0 HA PHE A 5 3.017 3.065 1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.325 4.878 2.081 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.563 4.953 3.658 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.381 3.396 5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.479 3.882 1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.429 2.449 6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.525 2.933 2.821 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.500 2.216 5.195 1.00 0.00 H new ATOM 74 N TRP A 6 2.692 1.180 3.889 1.00 0.00 N ATOM 75 CA TRP A 6 3.074 -0.163 4.419 1.00 0.00 C ATOM 76 C TRP A 6 1.850 -0.896 4.974 1.00 0.00 C ATOM 77 O TRP A 6 1.837 -1.330 6.109 1.00 0.00 O ATOM 78 CB TRP A 6 4.075 0.133 5.538 1.00 0.00 C ATOM 79 CG TRP A 6 4.686 -1.143 6.021 1.00 0.00 C ATOM 80 CD1 TRP A 6 4.509 -1.670 7.253 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.572 -2.054 5.308 1.00 0.00 C ATOM 82 NE1 TRP A 6 5.228 -2.849 7.343 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.900 -3.128 6.169 1.00 0.00 C ATOM 84 CE3 TRP A 6 6.116 -2.054 4.011 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.739 -4.165 5.758 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.960 -3.094 3.594 1.00 0.00 C ATOM 87 CH2 TRP A 6 7.271 -4.148 4.465 1.00 0.00 C ATOM 0 H TRP A 6 1.805 1.550 4.231 1.00 0.00 H new ATOM 0 HA TRP A 6 3.494 -0.806 3.645 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.853 0.805 5.174 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.574 0.642 6.362 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.905 -1.241 8.039 1.00 0.00 H new ATOM 0 HE1 TRP A 6 5.258 -3.439 8.174 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.882 -1.248 3.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.975 -4.974 6.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 7.373 -3.083 2.596 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.921 -4.946 4.137 1.00 0.00 H new ATOM 98 N TRP A 7 0.827 -1.045 4.182 1.00 0.00 N ATOM 99 CA TRP A 7 -0.389 -1.761 4.658 1.00 0.00 C ATOM 100 C TRP A 7 -0.574 -3.046 3.854 1.00 0.00 C ATOM 101 O TRP A 7 0.004 -3.203 2.798 1.00 0.00 O ATOM 102 CB TRP A 7 -1.544 -0.796 4.398 1.00 0.00 C ATOM 103 CG TRP A 7 -1.682 0.139 5.552 1.00 0.00 C ATOM 104 CD1 TRP A 7 -0.819 0.225 6.591 1.00 0.00 C ATOM 105 CD2 TRP A 7 -2.727 1.120 5.805 1.00 0.00 C ATOM 106 NE1 TRP A 7 -1.272 1.193 7.470 1.00 0.00 N ATOM 107 CE2 TRP A 7 -2.446 1.773 7.028 1.00 0.00 C ATOM 108 CE3 TRP A 7 -3.882 1.500 5.099 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -3.281 2.771 7.533 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -4.724 2.503 5.603 1.00 0.00 C ATOM 111 CH2 TRP A 7 -4.425 3.137 6.820 1.00 0.00 C ATOM 0 H TRP A 7 0.780 -0.701 3.223 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.326 -2.041 5.709 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.363 -0.235 3.481 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.471 -1.352 4.254 1.00 0.00 H new ATOM 0 HD1 TRP A 7 0.077 -0.365 6.714 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.798 1.447 8.337 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.123 1.017 4.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.044 3.257 8.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.607 2.789 5.052 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.079 3.906 7.204 1.00 0.00 H new ATOM 122 N LYS A 8 -1.369 -3.967 4.338 1.00 0.00 N ATOM 123 CA LYS A 8 -1.573 -5.235 3.575 1.00 0.00 C ATOM 124 C LYS A 8 -1.703 -4.923 2.088 1.00 0.00 C ATOM 125 O LYS A 8 -2.042 -3.822 1.703 1.00 0.00 O ATOM 126 CB LYS A 8 -2.864 -5.878 4.098 1.00 0.00 C ATOM 127 CG LYS A 8 -3.823 -4.819 4.651 1.00 0.00 C ATOM 128 CD LYS A 8 -5.265 -5.226 4.339 1.00 0.00 C ATOM 129 CE LYS A 8 -5.501 -5.147 2.829 1.00 0.00 C ATOM 130 NZ LYS A 8 -6.982 -5.107 2.674 1.00 0.00 N ATOM 0 H LYS A 8 -1.880 -3.897 5.218 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.729 -5.912 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.351 -6.429 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.624 -6.599 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.687 -4.717 5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.604 -3.847 4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.454 -6.239 4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.961 -4.570 4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.035 -4.259 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.073 -6.009 2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.224 -5.052 1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.397 -5.968 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.360 -4.273 3.166 1.00 0.00 H new ATOM 144 N CYS A 9 -1.425 -5.873 1.247 1.00 0.00 N ATOM 145 CA CYS A 9 -1.525 -5.602 -0.214 1.00 0.00 C ATOM 146 C CYS A 9 -1.631 -6.899 -1.015 1.00 0.00 C ATOM 147 O CYS A 9 -1.701 -7.984 -0.470 1.00 0.00 O ATOM 148 CB CYS A 9 -0.225 -4.876 -0.561 1.00 0.00 C ATOM 149 SG CYS A 9 1.186 -5.923 -0.124 1.00 0.00 S ATOM 0 H CYS A 9 -1.135 -6.817 1.501 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.414 -5.019 -0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.201 -4.640 -1.625 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.170 -3.930 -0.023 1.00 0.00 H new ATOM 154 N ASN A 10 -1.632 -6.784 -2.313 1.00 0.00 N ATOM 155 CA ASN A 10 -1.721 -7.991 -3.178 1.00 0.00 C ATOM 156 C ASN A 10 -1.112 -7.681 -4.549 1.00 0.00 C ATOM 157 O ASN A 10 -1.535 -6.760 -5.218 1.00 0.00 O ATOM 158 CB ASN A 10 -3.218 -8.285 -3.307 1.00 0.00 C ATOM 159 CG ASN A 10 -3.483 -9.754 -2.968 1.00 0.00 C ATOM 160 OD1 ASN A 10 -2.573 -10.559 -2.945 1.00 0.00 O ATOM 161 ND2 ASN A 10 -4.701 -10.141 -2.703 1.00 0.00 N ATOM 0 H ASN A 10 -1.574 -5.898 -2.815 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.181 -8.843 -2.765 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.785 -7.639 -2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.556 -8.068 -4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.888 -11.118 -2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.466 -9.467 -2.722 1.00 0.00 H new ATOM 168 N PRO A 11 -0.136 -8.463 -4.919 1.00 0.00 N ATOM 169 CA PRO A 11 0.543 -8.272 -6.227 1.00 0.00 C ATOM 170 C PRO A 11 -0.439 -8.510 -7.376 1.00 0.00 C ATOM 171 O PRO A 11 -0.205 -8.105 -8.497 1.00 0.00 O ATOM 172 CB PRO A 11 1.659 -9.319 -6.202 1.00 0.00 C ATOM 173 CG PRO A 11 1.186 -10.348 -5.230 1.00 0.00 C ATOM 174 CD PRO A 11 0.421 -9.594 -4.176 1.00 0.00 C ATOM 0 HA PRO A 11 0.928 -7.264 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.820 -9.751 -7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.606 -8.882 -5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.552 -11.087 -5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.026 -10.888 -4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.361 -10.207 -3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.070 -9.264 -3.365 1.00 0.00 H new ATOM 182 N ASN A 12 -1.545 -9.144 -7.101 1.00 0.00 N ATOM 183 CA ASN A 12 -2.551 -9.381 -8.173 1.00 0.00 C ATOM 184 C ASN A 12 -3.457 -8.154 -8.290 1.00 0.00 C ATOM 185 O ASN A 12 -4.037 -7.887 -9.324 1.00 0.00 O ATOM 186 CB ASN A 12 -3.349 -10.602 -7.715 1.00 0.00 C ATOM 187 CG ASN A 12 -3.977 -11.285 -8.931 1.00 0.00 C ATOM 188 OD1 ASN A 12 -3.634 -10.984 -10.057 1.00 0.00 O ATOM 189 ND2 ASN A 12 -4.889 -12.200 -8.751 1.00 0.00 N ATOM 0 H ASN A 12 -1.795 -9.508 -6.181 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.097 -9.549 -9.149 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.697 -11.299 -7.189 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.126 -10.300 -7.013 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.313 -12.662 -9.555 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.178 -12.453 -7.806 1.00 0.00 H new ATOM 196 N ASP A 13 -3.567 -7.401 -7.230 1.00 0.00 N ATOM 197 CA ASP A 13 -4.417 -6.177 -7.255 1.00 0.00 C ATOM 198 C ASP A 13 -3.807 -5.116 -6.334 1.00 0.00 C ATOM 199 O ASP A 13 -4.460 -4.585 -5.457 1.00 0.00 O ATOM 200 CB ASP A 13 -5.784 -6.625 -6.738 1.00 0.00 C ATOM 201 CG ASP A 13 -6.618 -7.162 -7.901 1.00 0.00 C ATOM 202 OD1 ASP A 13 -6.319 -8.248 -8.369 1.00 0.00 O ATOM 203 OD2 ASP A 13 -7.544 -6.477 -8.307 1.00 0.00 O ATOM 0 H ASP A 13 -3.101 -7.583 -6.341 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.494 -5.738 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.662 -7.396 -5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.297 -5.788 -6.264 1.00 0.00 H new ATOM 208 N ASP A 14 -2.552 -4.815 -6.527 1.00 0.00 N ATOM 209 CA ASP A 14 -1.874 -3.799 -5.670 1.00 0.00 C ATOM 210 C ASP A 14 -2.809 -2.621 -5.387 1.00 0.00 C ATOM 211 O ASP A 14 -3.184 -1.885 -6.279 1.00 0.00 O ATOM 212 CB ASP A 14 -0.667 -3.336 -6.488 1.00 0.00 C ATOM 213 CG ASP A 14 0.195 -4.543 -6.858 1.00 0.00 C ATOM 214 OD1 ASP A 14 0.843 -5.078 -5.973 1.00 0.00 O ATOM 215 OD2 ASP A 14 0.194 -4.914 -8.020 1.00 0.00 O ATOM 0 H ASP A 14 -1.962 -5.232 -7.247 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.585 -4.209 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.001 -2.825 -7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.080 -2.619 -5.914 1.00 0.00 H new ATOM 220 N LYS A 15 -3.184 -2.433 -4.152 1.00 0.00 N ATOM 221 CA LYS A 15 -4.089 -1.299 -3.815 1.00 0.00 C ATOM 222 C LYS A 15 -3.296 -0.155 -3.178 1.00 0.00 C ATOM 223 O LYS A 15 -3.699 0.990 -3.224 1.00 0.00 O ATOM 224 CB LYS A 15 -5.094 -1.872 -2.817 1.00 0.00 C ATOM 225 CG LYS A 15 -6.354 -1.001 -2.802 1.00 0.00 C ATOM 226 CD LYS A 15 -7.306 -1.461 -3.909 1.00 0.00 C ATOM 227 CE LYS A 15 -7.666 -0.273 -4.804 1.00 0.00 C ATOM 228 NZ LYS A 15 -8.947 0.246 -4.255 1.00 0.00 N ATOM 0 H LYS A 15 -2.903 -3.015 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.579 -0.891 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.350 -2.896 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.653 -1.909 -1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.846 -1.071 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.087 0.046 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.838 -2.247 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.209 -1.887 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.888 0.490 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.778 -0.581 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.260 1.064 -4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.670 -0.500 -4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.808 0.538 -3.267 1.00 0.00 H new ATOM 242 N CYS A 16 -2.170 -0.452 -2.581 1.00 0.00 N ATOM 243 CA CYS A 16 -1.366 0.630 -1.946 1.00 0.00 C ATOM 244 C CYS A 16 -1.240 1.814 -2.901 1.00 0.00 C ATOM 245 O CYS A 16 -1.133 1.648 -4.100 1.00 0.00 O ATOM 246 CB CYS A 16 0.014 0.024 -1.671 1.00 0.00 C ATOM 247 SG CYS A 16 1.008 1.208 -0.716 1.00 0.00 S ATOM 0 H CYS A 16 -1.777 -1.390 -2.507 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.832 0.993 -1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.089 -0.910 -1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.513 -0.214 -2.610 1.00 0.00 H new ATOM 252 N CYS A 17 -1.247 3.011 -2.380 1.00 0.00 N ATOM 253 CA CYS A 17 -1.122 4.201 -3.266 1.00 0.00 C ATOM 254 C CYS A 17 -0.018 3.948 -4.297 1.00 0.00 C ATOM 255 O CYS A 17 0.801 3.067 -4.129 1.00 0.00 O ATOM 256 CB CYS A 17 -0.751 5.351 -2.327 1.00 0.00 C ATOM 257 SG CYS A 17 -1.999 5.491 -1.019 1.00 0.00 S ATOM 0 H CYS A 17 -1.333 3.215 -1.384 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.034 4.422 -3.821 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.232 5.175 -1.889 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.688 6.285 -2.886 1.00 0.00 H new ATOM 262 N ARG A 18 0.017 4.696 -5.366 1.00 0.00 N ATOM 263 CA ARG A 18 1.080 4.455 -6.389 1.00 0.00 C ATOM 264 C ARG A 18 2.042 5.648 -6.502 1.00 0.00 C ATOM 265 O ARG A 18 2.516 5.940 -7.582 1.00 0.00 O ATOM 266 CB ARG A 18 0.364 4.245 -7.737 1.00 0.00 C ATOM 267 CG ARG A 18 -1.144 4.046 -7.548 1.00 0.00 C ATOM 268 CD ARG A 18 -1.401 2.752 -6.770 1.00 0.00 C ATOM 269 NE ARG A 18 -1.518 1.693 -7.810 1.00 0.00 N ATOM 270 CZ ARG A 18 -2.633 1.550 -8.474 1.00 0.00 C ATOM 271 NH1 ARG A 18 -3.750 1.329 -7.837 1.00 0.00 N ATOM 272 NH2 ARG A 18 -2.632 1.628 -9.777 1.00 0.00 N ATOM 0 H ARG A 18 -0.633 5.453 -5.576 1.00 0.00 H new ATOM 0 HA ARG A 18 1.675 3.588 -6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.540 5.106 -8.382 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.786 3.376 -8.243 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.568 4.895 -7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.639 4.003 -8.518 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.585 2.538 -6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.312 2.823 -6.175 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.727 1.079 -8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.753 1.268 -6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.620 1.218 -8.357 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.760 1.801 -10.277 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.503 1.516 -10.295 1.00 0.00 H new ATOM 286 N PRO A 19 2.326 6.297 -5.398 1.00 0.00 N ATOM 287 CA PRO A 19 3.259 7.441 -5.441 1.00 0.00 C ATOM 288 C PRO A 19 4.695 6.914 -5.518 1.00 0.00 C ATOM 289 O PRO A 19 5.587 7.569 -6.021 1.00 0.00 O ATOM 290 CB PRO A 19 3.022 8.155 -4.115 1.00 0.00 C ATOM 291 CG PRO A 19 2.496 7.102 -3.192 1.00 0.00 C ATOM 292 CD PRO A 19 1.824 6.050 -4.040 1.00 0.00 C ATOM 0 HA PRO A 19 3.107 8.098 -6.298 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.945 8.590 -3.731 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.308 8.971 -4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.306 6.664 -2.609 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.789 7.532 -2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.076 5.046 -3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.738 6.138 -3.996 1.00 0.00 H new ATOM 300 N LYS A 20 4.914 5.728 -5.017 1.00 0.00 N ATOM 301 CA LYS A 20 6.279 5.130 -5.043 1.00 0.00 C ATOM 302 C LYS A 20 6.313 3.889 -4.147 1.00 0.00 C ATOM 303 O LYS A 20 7.208 3.716 -3.344 1.00 0.00 O ATOM 304 CB LYS A 20 7.201 6.220 -4.489 1.00 0.00 C ATOM 305 CG LYS A 20 8.165 6.674 -5.585 1.00 0.00 C ATOM 306 CD LYS A 20 9.487 7.110 -4.953 1.00 0.00 C ATOM 307 CE LYS A 20 10.468 7.522 -6.051 1.00 0.00 C ATOM 308 NZ LYS A 20 11.512 6.461 -6.049 1.00 0.00 N ATOM 0 H LYS A 20 4.198 5.143 -4.587 1.00 0.00 H new ATOM 0 HA LYS A 20 6.581 4.817 -6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.611 7.065 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.759 5.840 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.338 5.862 -6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.729 7.499 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.318 7.943 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.906 6.295 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.972 7.587 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.900 8.502 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.224 6.673 -6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.971 6.427 -5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.072 5.541 -6.252 1.00 0.00 H new ATOM 322 N LEU A 21 5.333 3.031 -4.271 1.00 0.00 N ATOM 323 CA LEU A 21 5.295 1.808 -3.415 1.00 0.00 C ATOM 324 C LEU A 21 4.803 0.600 -4.214 1.00 0.00 C ATOM 325 O LEU A 21 4.324 0.718 -5.323 1.00 0.00 O ATOM 326 CB LEU A 21 4.287 2.141 -2.315 1.00 0.00 C ATOM 327 CG LEU A 21 4.813 3.297 -1.463 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.877 4.499 -1.600 1.00 0.00 C ATOM 329 CD2 LEU A 21 4.869 2.864 0.005 1.00 0.00 C ATOM 0 H LEU A 21 4.558 3.125 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 21 6.281 1.553 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.328 2.410 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.115 1.265 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 21 5.812 3.572 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.252 5.323 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.833 4.809 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.879 4.223 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.244 3.687 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.869 2.590 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.534 2.006 0.106 1.00 0.00 H new ATOM 341 N LYS A 22 4.908 -0.561 -3.632 1.00 0.00 N ATOM 342 CA LYS A 22 4.442 -1.800 -4.304 1.00 0.00 C ATOM 343 C LYS A 22 4.273 -2.909 -3.262 1.00 0.00 C ATOM 344 O LYS A 22 5.063 -3.034 -2.347 1.00 0.00 O ATOM 345 CB LYS A 22 5.537 -2.160 -5.309 1.00 0.00 C ATOM 346 CG LYS A 22 4.906 -2.789 -6.553 1.00 0.00 C ATOM 347 CD LYS A 22 3.933 -1.797 -7.196 1.00 0.00 C ATOM 348 CE LYS A 22 2.530 -2.406 -7.230 1.00 0.00 C ATOM 349 NZ LYS A 22 1.882 -1.815 -8.435 1.00 0.00 N ATOM 0 H LYS A 22 5.304 -0.704 -2.703 1.00 0.00 H new ATOM 0 HA LYS A 22 3.481 -1.669 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.098 -1.268 -5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.245 -2.855 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.683 -3.066 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.381 -3.705 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.922 -0.864 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.260 -1.554 -8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.573 -3.493 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.973 -2.165 -6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.915 -2.186 -8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.849 -0.780 -8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.430 -2.067 -9.282 1.00 0.00 H new ATOM 363 N CYS A 23 3.254 -3.712 -3.383 1.00 0.00 N ATOM 364 CA CYS A 23 3.055 -4.800 -2.382 1.00 0.00 C ATOM 365 C CYS A 23 4.381 -5.507 -2.094 1.00 0.00 C ATOM 366 O CYS A 23 5.294 -5.490 -2.895 1.00 0.00 O ATOM 367 CB CYS A 23 2.058 -5.771 -3.020 1.00 0.00 C ATOM 368 SG CYS A 23 1.543 -7.001 -1.797 1.00 0.00 S ATOM 0 H CYS A 23 2.555 -3.665 -4.124 1.00 0.00 H new ATOM 0 HA CYS A 23 2.687 -4.412 -1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.190 -5.226 -3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.514 -6.265 -3.878 1.00 0.00 H new ATOM 373 N SER A 24 4.491 -6.125 -0.949 1.00 0.00 N ATOM 374 CA SER A 24 5.753 -6.833 -0.594 1.00 0.00 C ATOM 375 C SER A 24 5.437 -8.154 0.108 1.00 0.00 C ATOM 376 O SER A 24 4.849 -8.180 1.176 1.00 0.00 O ATOM 377 CB SER A 24 6.486 -5.893 0.359 1.00 0.00 C ATOM 378 OG SER A 24 7.715 -5.488 -0.232 1.00 0.00 O ATOM 0 H SER A 24 3.757 -6.170 -0.242 1.00 0.00 H new ATOM 0 HA SER A 24 6.350 -7.070 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.868 -5.021 0.575 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.674 -6.394 1.309 1.00 0.00 H new ATOM 0 HG SER A 24 8.321 -5.161 0.465 1.00 0.00 H new ATOM 384 N LYS A 25 5.825 -9.250 -0.488 1.00 0.00 N ATOM 385 CA LYS A 25 5.558 -10.579 0.130 1.00 0.00 C ATOM 386 C LYS A 25 6.299 -10.702 1.463 1.00 0.00 C ATOM 387 O LYS A 25 5.911 -11.455 2.334 1.00 0.00 O ATOM 388 CB LYS A 25 6.102 -11.591 -0.875 1.00 0.00 C ATOM 389 CG LYS A 25 4.984 -12.540 -1.303 1.00 0.00 C ATOM 390 CD LYS A 25 5.492 -13.981 -1.243 1.00 0.00 C ATOM 391 CE LYS A 25 4.332 -14.942 -1.503 1.00 0.00 C ATOM 392 NZ LYS A 25 4.866 -15.929 -2.481 1.00 0.00 N ATOM 0 H LYS A 25 6.318 -9.281 -1.381 1.00 0.00 H new ATOM 0 HA LYS A 25 4.500 -10.733 0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.506 -11.073 -1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.922 -12.156 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.120 -12.420 -0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.655 -12.300 -2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.277 -14.132 -1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.933 -14.182 -0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.010 -15.431 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.466 -14.416 -1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.128 -16.624 -2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.158 -15.435 -3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.686 -16.418 -2.068 1.00 0.00 H new ATOM 406 N LEU A 26 7.365 -9.969 1.626 1.00 0.00 N ATOM 407 CA LEU A 26 8.132 -10.046 2.902 1.00 0.00 C ATOM 408 C LEU A 26 7.172 -9.978 4.092 1.00 0.00 C ATOM 409 O LEU A 26 7.326 -10.684 5.068 1.00 0.00 O ATOM 410 CB LEU A 26 9.059 -8.829 2.884 1.00 0.00 C ATOM 411 CG LEU A 26 10.409 -9.220 2.279 1.00 0.00 C ATOM 412 CD1 LEU A 26 11.093 -10.249 3.181 1.00 0.00 C ATOM 413 CD2 LEU A 26 10.195 -9.828 0.890 1.00 0.00 C ATOM 0 H LEU A 26 7.738 -9.321 0.933 1.00 0.00 H new ATOM 0 HA LEU A 26 8.691 -10.977 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.608 -8.025 2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.199 -8.451 3.897 1.00 0.00 H new ATOM 0 HG LEU A 26 11.036 -8.332 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.055 -10.528 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.249 -9.819 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.463 -11.134 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.158 -10.105 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.566 -10.715 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.708 -9.097 0.244 1.00 0.00 H new ATOM 425 N PHE A 27 6.175 -9.141 4.012 1.00 0.00 N ATOM 426 CA PHE A 27 5.201 -9.036 5.134 1.00 0.00 C ATOM 427 C PHE A 27 3.783 -8.881 4.587 1.00 0.00 C ATOM 428 O PHE A 27 2.856 -8.588 5.317 1.00 0.00 O ATOM 429 CB PHE A 27 5.598 -7.784 5.906 1.00 0.00 C ATOM 430 CG PHE A 27 6.665 -8.131 6.914 1.00 0.00 C ATOM 431 CD1 PHE A 27 7.979 -8.353 6.492 1.00 0.00 C ATOM 432 CD2 PHE A 27 6.339 -8.230 8.270 1.00 0.00 C ATOM 433 CE1 PHE A 27 8.971 -8.677 7.426 1.00 0.00 C ATOM 434 CE2 PHE A 27 7.327 -8.553 9.204 1.00 0.00 C ATOM 435 CZ PHE A 27 8.644 -8.777 8.784 1.00 0.00 C ATOM 0 H PHE A 27 5.993 -8.526 3.219 1.00 0.00 H new ATOM 0 HA PHE A 27 5.215 -9.925 5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.966 -7.022 5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.728 -7.364 6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.230 -8.275 5.444 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.324 -8.057 8.596 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.986 -8.849 7.100 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.075 -8.630 10.251 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.407 -9.027 9.507 1.00 0.00 H new ATOM 445 N LYS A 28 3.605 -9.071 3.309 1.00 0.00 N ATOM 446 CA LYS A 28 2.241 -8.926 2.721 1.00 0.00 C ATOM 447 C LYS A 28 1.814 -7.462 2.792 1.00 0.00 C ATOM 448 O LYS A 28 0.641 -7.146 2.801 1.00 0.00 O ATOM 449 CB LYS A 28 1.303 -9.788 3.583 1.00 0.00 C ATOM 450 CG LYS A 28 2.054 -10.991 4.164 1.00 0.00 C ATOM 451 CD LYS A 28 1.160 -12.230 4.101 1.00 0.00 C ATOM 452 CE LYS A 28 1.696 -13.300 5.055 1.00 0.00 C ATOM 453 NZ LYS A 28 1.991 -14.474 4.187 1.00 0.00 N ATOM 0 H LYS A 28 4.341 -9.319 2.648 1.00 0.00 H new ATOM 0 HA LYS A 28 2.216 -9.240 1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.889 -9.186 4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.463 -10.134 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.973 -11.164 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.342 -10.790 5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.137 -11.967 4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.131 -12.618 3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.592 -12.956 5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.962 -13.550 5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.363 -15.251 4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.118 -14.784 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.698 -14.208 3.472 1.00 0.00 H new ATOM 467 N LEU A 29 2.759 -6.564 2.842 1.00 0.00 N ATOM 468 CA LEU A 29 2.404 -5.114 2.916 1.00 0.00 C ATOM 469 C LEU A 29 3.016 -4.382 1.727 1.00 0.00 C ATOM 470 O LEU A 29 3.831 -4.924 1.013 1.00 0.00 O ATOM 471 CB LEU A 29 3.002 -4.591 4.232 1.00 0.00 C ATOM 472 CG LEU A 29 2.989 -5.692 5.297 1.00 0.00 C ATOM 473 CD1 LEU A 29 3.727 -5.204 6.544 1.00 0.00 C ATOM 474 CD2 LEU A 29 1.541 -6.029 5.661 1.00 0.00 C ATOM 0 H LEU A 29 3.758 -6.768 2.835 1.00 0.00 H new ATOM 0 HA LEU A 29 1.326 -4.957 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.024 -4.250 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.432 -3.731 4.582 1.00 0.00 H new ATOM 0 HG LEU A 29 3.484 -6.582 4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.718 -5.987 7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.758 -4.961 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.232 -4.315 6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.529 -6.812 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.047 -5.139 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.014 -6.376 4.772 1.00 0.00 H new ATOM 486 N CYS A 30 2.632 -3.162 1.497 1.00 0.00 N ATOM 487 CA CYS A 30 3.201 -2.428 0.341 1.00 0.00 C ATOM 488 C CYS A 30 4.415 -1.599 0.772 1.00 0.00 C ATOM 489 O CYS A 30 4.359 -0.825 1.706 1.00 0.00 O ATOM 490 CB CYS A 30 2.045 -1.561 -0.175 1.00 0.00 C ATOM 491 SG CYS A 30 2.018 0.068 0.612 1.00 0.00 S ATOM 0 H CYS A 30 1.953 -2.645 2.056 1.00 0.00 H new ATOM 0 HA CYS A 30 3.573 -3.088 -0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.135 -1.441 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.099 -2.070 0.011 1.00 0.00 H new ATOM 496 N ASN A 31 5.517 -1.769 0.095 1.00 0.00 N ATOM 497 CA ASN A 31 6.746 -1.002 0.461 1.00 0.00 C ATOM 498 C ASN A 31 6.925 0.192 -0.480 1.00 0.00 C ATOM 499 O ASN A 31 5.977 0.716 -1.016 1.00 0.00 O ATOM 500 CB ASN A 31 7.898 -1.993 0.297 1.00 0.00 C ATOM 501 CG ASN A 31 9.012 -1.659 1.292 1.00 0.00 C ATOM 502 OD1 ASN A 31 9.054 -0.473 1.839 1.00 0.00 O flip ATOM 503 ND2 ASN A 31 9.856 -2.487 1.576 1.00 0.00 N flip ATOM 0 H ASN A 31 5.622 -2.405 -0.696 1.00 0.00 H new ATOM 0 HA ASN A 31 6.696 -0.602 1.474 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.542 -3.010 0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.283 -1.952 -0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.825 -3.413 1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.595 -2.255 2.240 1.00 0.00 H new