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= -0.063 X(o=-0.063,f=-0.26) USER MOD Single : A 12 ASN : amide:sc= -0.0105 K(o=-0.01,f=-1.7!) 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+ -140:sc=-3.32e-05 (180deg=-0.132) USER MOD Single : A 24 SER OG : rot -140:sc= -0.274 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 : amide:sc= 0 X(o=0,f=-0.0073) USER MOD ----------------------------------------------------------------- ATOM 10 N CYS A 2 -6.309 4.780 -1.675 1.00 0.00 N ATOM 11 CA CYS A 2 -5.331 3.665 -1.610 1.00 0.00 C ATOM 12 C CYS A 2 -4.911 3.413 -0.160 1.00 0.00 C ATOM 13 O CYS A 2 -5.454 3.988 0.763 1.00 0.00 O ATOM 14 CB CYS A 2 -4.135 4.132 -2.440 1.00 0.00 C ATOM 15 SG CYS A 2 -3.713 5.848 -2.034 1.00 0.00 S ATOM 0 HA CYS A 2 -5.748 2.731 -1.988 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.278 3.486 -2.250 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.367 4.050 -3.502 1.00 0.00 H new ATOM 20 N LEU A 3 -3.951 2.556 0.047 1.00 0.00 N ATOM 21 CA LEU A 3 -3.499 2.263 1.433 1.00 0.00 C ATOM 22 C LEU A 3 -2.224 3.052 1.754 1.00 0.00 C ATOM 23 O LEU A 3 -1.701 3.766 0.925 1.00 0.00 O ATOM 24 CB LEU A 3 -3.217 0.764 1.435 1.00 0.00 C ATOM 25 CG LEU A 3 -4.429 0.008 0.888 1.00 0.00 C ATOM 26 CD1 LEU A 3 -3.992 -1.374 0.397 1.00 0.00 C ATOM 27 CD2 LEU A 3 -5.470 -0.153 1.999 1.00 0.00 C ATOM 0 H LEU A 3 -3.459 2.045 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.239 2.545 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.338 0.549 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.994 0.428 2.448 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.862 0.567 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.856 -1.912 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.249 -1.261 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.559 -1.934 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.335 -0.692 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.035 -0.713 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.782 0.830 2.350 1.00 0.00 H new ATOM 39 N GLU A 4 -1.717 2.926 2.952 1.00 0.00 N ATOM 40 CA GLU A 4 -0.476 3.668 3.317 1.00 0.00 C ATOM 41 C GLU A 4 0.743 3.006 2.678 1.00 0.00 C ATOM 42 O GLU A 4 0.618 2.161 1.817 1.00 0.00 O ATOM 43 CB GLU A 4 -0.395 3.592 4.843 1.00 0.00 C ATOM 44 CG GLU A 4 -0.188 4.999 5.410 1.00 0.00 C ATOM 45 CD GLU A 4 -1.201 5.258 6.525 1.00 0.00 C ATOM 46 OE1 GLU A 4 -1.267 4.454 7.440 1.00 0.00 O ATOM 47 OE2 GLU A 4 -1.895 6.259 6.447 1.00 0.00 O ATOM 0 H GLU A 4 -2.108 2.343 3.692 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.496 4.700 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.309 3.156 5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.427 2.942 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.826 5.101 5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.304 5.741 4.620 1.00 0.00 H new ATOM 54 N PHE A 5 1.918 3.390 3.085 1.00 0.00 N ATOM 55 CA PHE A 5 3.146 2.791 2.490 1.00 0.00 C ATOM 56 C PHE A 5 3.470 1.443 3.153 1.00 0.00 C ATOM 57 O PHE A 5 4.563 0.933 3.022 1.00 0.00 O ATOM 58 CB PHE A 5 4.249 3.841 2.739 1.00 0.00 C ATOM 59 CG PHE A 5 5.261 3.343 3.753 1.00 0.00 C ATOM 60 CD1 PHE A 5 4.985 3.436 5.123 1.00 0.00 C ATOM 61 CD2 PHE A 5 6.469 2.784 3.318 1.00 0.00 C ATOM 62 CE1 PHE A 5 5.920 2.971 6.059 1.00 0.00 C ATOM 63 CE2 PHE A 5 7.403 2.320 4.254 1.00 0.00 C ATOM 64 CZ PHE A 5 7.127 2.414 5.623 1.00 0.00 C ATOM 0 H PHE A 5 2.083 4.094 3.805 1.00 0.00 H new ATOM 0 HA PHE A 5 3.037 2.571 1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.754 4.072 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.799 4.768 3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.053 3.866 5.458 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.681 2.711 2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.708 3.043 7.116 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.335 1.890 3.919 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.847 2.056 6.344 1.00 0.00 H new ATOM 74 N TRP A 6 2.542 0.869 3.872 1.00 0.00 N ATOM 75 CA TRP A 6 2.826 -0.440 4.532 1.00 0.00 C ATOM 76 C TRP A 6 1.526 -1.138 4.944 1.00 0.00 C ATOM 77 O TRP A 6 1.428 -1.694 6.019 1.00 0.00 O ATOM 78 CB TRP A 6 3.654 -0.078 5.768 1.00 0.00 C ATOM 79 CG TRP A 6 4.301 -1.305 6.325 1.00 0.00 C ATOM 80 CD1 TRP A 6 4.196 -1.728 7.606 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.155 -2.268 5.646 1.00 0.00 C ATOM 82 NE1 TRP A 6 4.933 -2.889 7.756 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.543 -3.262 6.575 1.00 0.00 C ATOM 84 CE3 TRP A 6 5.625 -2.373 4.327 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.372 -4.323 6.206 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.459 -3.439 3.951 1.00 0.00 C ATOM 87 CH2 TRP A 6 6.831 -4.412 4.889 1.00 0.00 C ATOM 0 H TRP A 6 1.607 1.245 4.030 1.00 0.00 H new ATOM 0 HA TRP A 6 3.348 -1.129 3.868 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.415 0.657 5.504 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.015 0.381 6.523 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.629 -1.239 8.384 1.00 0.00 H new ATOM 0 HE1 TRP A 6 5.016 -3.406 8.631 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.343 -1.629 3.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.656 -5.069 6.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 6.815 -3.509 2.934 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.472 -5.230 4.594 1.00 0.00 H new ATOM 98 N TRP A 7 0.532 -1.119 4.105 1.00 0.00 N ATOM 99 CA TRP A 7 -0.750 -1.790 4.463 1.00 0.00 C ATOM 100 C TRP A 7 -0.907 -3.074 3.648 1.00 0.00 C ATOM 101 O TRP A 7 -0.258 -3.245 2.637 1.00 0.00 O ATOM 102 CB TRP A 7 -1.834 -0.779 4.093 1.00 0.00 C ATOM 103 CG TRP A 7 -2.060 0.155 5.238 1.00 0.00 C ATOM 104 CD1 TRP A 7 -1.293 0.222 6.352 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.106 1.157 5.403 1.00 0.00 C ATOM 106 NE1 TRP A 7 -1.801 1.200 7.187 1.00 0.00 N ATOM 107 CE2 TRP A 7 -2.918 1.805 6.647 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.188 1.563 4.601 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -3.774 2.818 7.080 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.051 2.582 5.035 1.00 0.00 C ATOM 111 CH2 TRP A 7 -4.844 3.209 6.272 1.00 0.00 C ATOM 0 H TRP A 7 0.549 -0.670 3.189 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.800 -2.072 5.515 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.536 -0.219 3.207 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.760 -1.298 3.845 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.426 -0.389 6.555 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.399 1.445 8.092 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.356 1.088 3.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.610 3.297 8.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.880 2.885 4.412 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.511 3.993 6.599 1.00 0.00 H new ATOM 122 N LYS A 8 -1.750 -3.980 4.087 1.00 0.00 N ATOM 123 CA LYS A 8 -1.934 -5.267 3.330 1.00 0.00 C ATOM 124 C LYS A 8 -1.826 -5.003 1.831 1.00 0.00 C ATOM 125 O LYS A 8 -2.353 -4.034 1.321 1.00 0.00 O ATOM 126 CB LYS A 8 -3.332 -5.834 3.654 1.00 0.00 C ATOM 127 CG LYS A 8 -4.146 -4.892 4.549 1.00 0.00 C ATOM 128 CD LYS A 8 -5.578 -5.418 4.676 1.00 0.00 C ATOM 129 CE LYS A 8 -5.550 -6.852 5.212 1.00 0.00 C ATOM 130 NZ LYS A 8 -6.597 -6.890 6.270 1.00 0.00 N ATOM 0 H LYS A 8 -2.316 -3.888 4.930 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.164 -5.981 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.875 -6.010 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.225 -6.800 4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.685 -4.821 5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.153 -3.887 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.153 -4.779 5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.074 -5.391 3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.761 -7.573 4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.570 -7.102 5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.637 -7.843 6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.366 -6.199 7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.520 -6.655 5.853 1.00 0.00 H new ATOM 144 N CYS A 9 -1.133 -5.847 1.127 1.00 0.00 N ATOM 145 CA CYS A 9 -0.977 -5.627 -0.339 1.00 0.00 C ATOM 146 C CYS A 9 -1.166 -6.931 -1.115 1.00 0.00 C ATOM 147 O CYS A 9 -1.130 -8.012 -0.561 1.00 0.00 O ATOM 148 CB CYS A 9 0.453 -5.111 -0.506 1.00 0.00 C ATOM 149 SG CYS A 9 1.621 -6.450 -0.161 1.00 0.00 S ATOM 0 H CYS A 9 -0.669 -6.676 1.497 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.720 -4.930 -0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.600 -4.737 -1.519 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.631 -4.275 0.171 1.00 0.00 H new ATOM 154 N ASN A 10 -1.362 -6.826 -2.399 1.00 0.00 N ATOM 155 CA ASN A 10 -1.549 -8.044 -3.236 1.00 0.00 C ATOM 156 C ASN A 10 -1.111 -7.752 -4.676 1.00 0.00 C ATOM 157 O ASN A 10 -1.559 -6.797 -5.278 1.00 0.00 O ATOM 158 CB ASN A 10 -3.050 -8.336 -3.180 1.00 0.00 C ATOM 159 CG ASN A 10 -3.273 -9.848 -3.128 1.00 0.00 C ATOM 160 OD1 ASN A 10 -2.689 -10.533 -2.312 1.00 0.00 O ATOM 161 ND2 ASN A 10 -4.101 -10.402 -3.971 1.00 0.00 N ATOM 0 H ASN A 10 -1.401 -5.943 -2.908 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.959 -8.890 -2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.491 -7.862 -2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.546 -7.914 -4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.258 -11.410 -3.945 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.592 -9.827 -4.656 1.00 0.00 H new ATOM 168 N PRO A 11 -0.244 -8.587 -5.181 1.00 0.00 N ATOM 169 CA PRO A 11 0.260 -8.414 -6.567 1.00 0.00 C ATOM 170 C PRO A 11 -0.869 -8.626 -7.577 1.00 0.00 C ATOM 171 O PRO A 11 -0.773 -8.232 -8.722 1.00 0.00 O ATOM 172 CB PRO A 11 1.334 -9.494 -6.694 1.00 0.00 C ATOM 173 CG PRO A 11 0.959 -10.519 -5.674 1.00 0.00 C ATOM 174 CD PRO A 11 0.341 -9.762 -4.528 1.00 0.00 C ATOM 0 HA PRO A 11 0.649 -7.415 -6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.351 -9.920 -7.697 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.328 -9.089 -6.503 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.256 -11.242 -6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.834 -11.079 -5.344 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.415 -10.356 -4.014 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.085 -9.480 -3.783 1.00 0.00 H new ATOM 182 N ASN A 12 -1.944 -9.234 -7.159 1.00 0.00 N ATOM 183 CA ASN A 12 -3.085 -9.455 -8.094 1.00 0.00 C ATOM 184 C ASN A 12 -4.020 -8.245 -8.060 1.00 0.00 C ATOM 185 O ASN A 12 -4.569 -7.841 -9.066 1.00 0.00 O ATOM 186 CB ASN A 12 -3.795 -10.701 -7.569 1.00 0.00 C ATOM 187 CG ASN A 12 -4.724 -11.257 -8.651 1.00 0.00 C ATOM 188 OD1 ASN A 12 -4.933 -10.629 -9.670 1.00 0.00 O ATOM 189 ND2 ASN A 12 -5.292 -12.417 -8.469 1.00 0.00 N ATOM 0 H ASN A 12 -2.083 -9.587 -6.212 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.761 -9.583 -9.127 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.063 -11.455 -7.282 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.368 -10.456 -6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.913 -12.798 -9.183 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.115 -12.943 -7.613 1.00 0.00 H new ATOM 196 N ASP A 13 -4.201 -7.661 -6.906 1.00 0.00 N ATOM 197 CA ASP A 13 -5.093 -6.471 -6.800 1.00 0.00 C ATOM 198 C ASP A 13 -4.387 -5.358 -6.022 1.00 0.00 C ATOM 199 O ASP A 13 -4.902 -4.839 -5.053 1.00 0.00 O ATOM 200 CB ASP A 13 -6.323 -6.964 -6.037 1.00 0.00 C ATOM 201 CG ASP A 13 -7.592 -6.488 -6.749 1.00 0.00 C ATOM 202 OD1 ASP A 13 -7.757 -6.824 -7.910 1.00 0.00 O ATOM 203 OD2 ASP A 13 -8.375 -5.795 -6.121 1.00 0.00 O ATOM 0 H ASP A 13 -3.769 -7.957 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.359 -6.062 -7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.314 -8.052 -5.976 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.304 -6.588 -5.014 1.00 0.00 H new ATOM 208 N ASP A 14 -3.207 -4.994 -6.442 1.00 0.00 N ATOM 209 CA ASP A 14 -2.453 -3.919 -5.731 1.00 0.00 C ATOM 210 C ASP A 14 -3.386 -2.766 -5.353 1.00 0.00 C ATOM 211 O ASP A 14 -4.231 -2.359 -6.125 1.00 0.00 O ATOM 212 CB ASP A 14 -1.400 -3.446 -6.733 1.00 0.00 C ATOM 213 CG ASP A 14 -0.242 -2.784 -5.983 1.00 0.00 C ATOM 214 OD1 ASP A 14 -0.479 -1.774 -5.340 1.00 0.00 O ATOM 215 OD2 ASP A 14 0.860 -3.298 -6.066 1.00 0.00 O ATOM 0 H ASP A 14 -2.730 -5.395 -7.249 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.007 -4.278 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.034 -4.290 -7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.843 -2.740 -7.436 1.00 0.00 H new ATOM 220 N LYS A 15 -3.233 -2.235 -4.171 1.00 0.00 N ATOM 221 CA LYS A 15 -4.106 -1.104 -3.743 1.00 0.00 C ATOM 222 C LYS A 15 -3.267 0.019 -3.127 1.00 0.00 C ATOM 223 O LYS A 15 -3.628 1.177 -3.194 1.00 0.00 O ATOM 224 CB LYS A 15 -5.052 -1.695 -2.699 1.00 0.00 C ATOM 225 CG LYS A 15 -5.937 -0.581 -2.134 1.00 0.00 C ATOM 226 CD LYS A 15 -6.837 -0.036 -3.243 1.00 0.00 C ATOM 227 CE LYS A 15 -7.889 -1.087 -3.608 1.00 0.00 C ATOM 228 NZ LYS A 15 -9.079 -0.738 -2.784 1.00 0.00 N ATOM 0 H LYS A 15 -2.542 -2.535 -3.483 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.647 -0.670 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.669 -2.473 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.481 -2.164 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.544 -0.964 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.318 0.219 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.323 0.882 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.240 0.217 -4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.123 -1.059 -4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.536 -2.094 -3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.846 -1.414 -2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.827 -0.779 -1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.397 0.223 -3.022 1.00 0.00 H new ATOM 242 N CYS A 16 -2.155 -0.310 -2.526 1.00 0.00 N ATOM 243 CA CYS A 16 -1.301 0.748 -1.908 1.00 0.00 C ATOM 244 C CYS A 16 -1.224 1.962 -2.838 1.00 0.00 C ATOM 245 O CYS A 16 -1.217 1.830 -4.045 1.00 0.00 O ATOM 246 CB CYS A 16 0.082 0.111 -1.744 1.00 0.00 C ATOM 247 SG CYS A 16 1.104 1.164 -0.679 1.00 0.00 S ATOM 0 H CYS A 16 -1.801 -1.262 -2.436 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.699 1.094 -0.954 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.012 -0.884 -1.309 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.557 -0.011 -2.718 1.00 0.00 H new ATOM 252 N CYS A 17 -1.172 3.144 -2.289 1.00 0.00 N ATOM 253 CA CYS A 17 -1.102 4.355 -3.155 1.00 0.00 C ATOM 254 C CYS A 17 -0.056 4.143 -4.252 1.00 0.00 C ATOM 255 O CYS A 17 0.748 3.233 -4.181 1.00 0.00 O ATOM 256 CB CYS A 17 -0.702 5.486 -2.210 1.00 0.00 C ATOM 257 SG CYS A 17 -2.000 5.714 -0.966 1.00 0.00 S ATOM 0 H CYS A 17 -1.175 3.324 -1.285 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.042 4.575 -3.661 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.246 5.252 -1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.554 6.409 -2.771 1.00 0.00 H new ATOM 262 N ARG A 18 -0.061 4.955 -5.277 1.00 0.00 N ATOM 263 CA ARG A 18 0.933 4.758 -6.371 1.00 0.00 C ATOM 264 C ARG A 18 1.939 5.915 -6.471 1.00 0.00 C ATOM 265 O ARG A 18 2.342 6.278 -7.559 1.00 0.00 O ATOM 266 CB ARG A 18 0.096 4.674 -7.648 1.00 0.00 C ATOM 267 CG ARG A 18 -0.885 5.847 -7.693 1.00 0.00 C ATOM 268 CD ARG A 18 -2.267 5.376 -7.236 1.00 0.00 C ATOM 269 NE ARG A 18 -3.220 5.974 -8.209 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.315 5.338 -8.526 1.00 0.00 C ATOM 271 NH1 ARG A 18 -4.247 4.163 -9.090 1.00 0.00 N ATOM 272 NH2 ARG A 18 -5.477 5.876 -8.277 1.00 0.00 N ATOM 0 H ARG A 18 -0.703 5.737 -5.403 1.00 0.00 H new ATOM 0 HA ARG A 18 1.534 3.866 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.745 4.695 -8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.448 3.730 -7.678 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.533 6.654 -7.050 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.942 6.248 -8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.333 4.288 -7.237 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.481 5.708 -6.220 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.018 6.881 -8.629 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.338 3.742 -9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.103 3.666 -9.338 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.530 6.794 -7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.333 5.379 -8.525 1.00 0.00 H new ATOM 286 N PRO A 19 2.347 6.445 -5.345 1.00 0.00 N ATOM 287 CA PRO A 19 3.344 7.537 -5.359 1.00 0.00 C ATOM 288 C PRO A 19 4.724 6.929 -5.592 1.00 0.00 C ATOM 289 O PRO A 19 5.579 7.507 -6.231 1.00 0.00 O ATOM 290 CB PRO A 19 3.251 8.131 -3.960 1.00 0.00 C ATOM 291 CG PRO A 19 2.731 7.023 -3.099 1.00 0.00 C ATOM 292 CD PRO A 19 1.934 6.096 -3.983 1.00 0.00 C ATOM 0 HA PRO A 19 3.175 8.284 -6.135 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.225 8.476 -3.613 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.583 8.992 -3.941 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.554 6.487 -2.625 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.107 7.420 -2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.148 5.051 -3.758 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.862 6.239 -3.844 1.00 0.00 H new ATOM 300 N LYS A 20 4.924 5.750 -5.065 1.00 0.00 N ATOM 301 CA LYS A 20 6.225 5.043 -5.218 1.00 0.00 C ATOM 302 C LYS A 20 6.230 3.811 -4.302 1.00 0.00 C ATOM 303 O LYS A 20 7.117 3.633 -3.495 1.00 0.00 O ATOM 304 CB LYS A 20 7.290 6.052 -4.776 1.00 0.00 C ATOM 305 CG LYS A 20 8.635 5.341 -4.620 1.00 0.00 C ATOM 306 CD LYS A 20 9.761 6.268 -5.081 1.00 0.00 C ATOM 307 CE LYS A 20 10.067 6.009 -6.558 1.00 0.00 C ATOM 308 NZ LYS A 20 11.510 6.342 -6.719 1.00 0.00 N ATOM 0 H LYS A 20 4.225 5.239 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 20 6.406 4.702 -6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.374 6.853 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.999 6.513 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.788 5.055 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.643 4.423 -5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.471 7.309 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.654 6.099 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.870 4.971 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.445 6.628 -7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.793 6.189 -7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.667 7.338 -6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.078 5.732 -6.097 1.00 0.00 H new ATOM 322 N LEU A 21 5.234 2.966 -4.412 1.00 0.00 N ATOM 323 CA LEU A 21 5.185 1.757 -3.535 1.00 0.00 C ATOM 324 C LEU A 21 4.690 0.535 -4.312 1.00 0.00 C ATOM 325 O LEU A 21 4.169 0.642 -5.405 1.00 0.00 O ATOM 326 CB LEU A 21 4.183 2.093 -2.431 1.00 0.00 C ATOM 327 CG LEU A 21 4.645 3.336 -1.673 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.513 3.832 -0.774 1.00 0.00 C ATOM 329 CD2 LEU A 21 5.861 2.980 -0.814 1.00 0.00 C ATOM 0 H LEU A 21 4.458 3.061 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 21 6.174 1.516 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.197 2.265 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.089 1.252 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 21 4.915 4.119 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.841 4.719 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.645 4.080 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.244 3.051 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.194 3.864 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.589 2.199 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.667 2.622 -1.455 1.00 0.00 H new ATOM 341 N LYS A 22 4.835 -0.621 -3.731 1.00 0.00 N ATOM 342 CA LYS A 22 4.363 -1.868 -4.382 1.00 0.00 C ATOM 343 C LYS A 22 4.248 -2.977 -3.334 1.00 0.00 C ATOM 344 O LYS A 22 5.067 -3.076 -2.442 1.00 0.00 O ATOM 345 CB LYS A 22 5.414 -2.215 -5.432 1.00 0.00 C ATOM 346 CG LYS A 22 6.776 -2.375 -4.762 1.00 0.00 C ATOM 347 CD LYS A 22 7.867 -2.014 -5.765 1.00 0.00 C ATOM 348 CE LYS A 22 9.225 -2.483 -5.237 1.00 0.00 C ATOM 349 NZ LYS A 22 9.295 -3.929 -5.593 1.00 0.00 N ATOM 0 H LYS A 22 5.268 -0.754 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 22 3.381 -1.750 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.139 -3.137 -5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.460 -1.431 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.842 -1.731 -3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.907 -3.400 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.659 -2.481 -6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.882 -0.937 -5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.041 -1.923 -5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.302 -2.337 -4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.725 -4.459 -4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.336 -4.290 -5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.873 -4.048 -6.449 1.00 0.00 H new ATOM 363 N CYS A 23 3.242 -3.806 -3.424 1.00 0.00 N ATOM 364 CA CYS A 23 3.087 -4.901 -2.421 1.00 0.00 C ATOM 365 C CYS A 23 4.450 -5.516 -2.094 1.00 0.00 C ATOM 366 O CYS A 23 5.257 -5.763 -2.967 1.00 0.00 O ATOM 367 CB CYS A 23 2.179 -5.938 -3.090 1.00 0.00 C ATOM 368 SG CYS A 23 1.918 -7.326 -1.958 1.00 0.00 S ATOM 0 H CYS A 23 2.523 -3.773 -4.146 1.00 0.00 H new ATOM 0 HA CYS A 23 2.666 -4.539 -1.483 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.223 -5.485 -3.354 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.632 -6.290 -4.017 1.00 0.00 H new ATOM 373 N SER A 24 4.712 -5.756 -0.840 1.00 0.00 N ATOM 374 CA SER A 24 6.021 -6.344 -0.447 1.00 0.00 C ATOM 375 C SER A 24 5.806 -7.617 0.375 1.00 0.00 C ATOM 376 O SER A 24 5.150 -7.606 1.405 1.00 0.00 O ATOM 377 CB SER A 24 6.695 -5.266 0.396 1.00 0.00 C ATOM 378 OG SER A 24 7.582 -4.515 -0.424 1.00 0.00 O ATOM 0 H SER A 24 4.073 -5.569 -0.068 1.00 0.00 H new ATOM 0 HA SER A 24 6.625 -6.626 -1.309 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.944 -4.610 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.242 -5.722 1.221 1.00 0.00 H new ATOM 0 HG SER A 24 8.402 -4.319 0.075 1.00 0.00 H new ATOM 384 N LYS A 25 6.354 -8.712 -0.078 1.00 0.00 N ATOM 385 CA LYS A 25 6.192 -9.997 0.658 1.00 0.00 C ATOM 386 C LYS A 25 6.997 -9.973 1.958 1.00 0.00 C ATOM 387 O LYS A 25 6.819 -10.811 2.819 1.00 0.00 O ATOM 388 CB LYS A 25 6.741 -11.064 -0.291 1.00 0.00 C ATOM 389 CG LYS A 25 5.774 -12.248 -0.344 1.00 0.00 C ATOM 390 CD LYS A 25 5.115 -12.307 -1.724 1.00 0.00 C ATOM 391 CE LYS A 25 3.616 -12.566 -1.562 1.00 0.00 C ATOM 392 NZ LYS A 25 3.335 -13.747 -2.426 1.00 0.00 N ATOM 0 H LYS A 25 6.910 -8.771 -0.931 1.00 0.00 H new ATOM 0 HA LYS A 25 5.155 -10.186 0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.874 -10.645 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.722 -11.397 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.308 -13.177 -0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.013 -12.145 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.278 -11.370 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.569 -13.097 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.360 -12.768 -0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.030 -11.701 -1.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.325 -13.987 -2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.582 -13.523 -3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.902 -14.557 -2.102 1.00 0.00 H new ATOM 406 N LEU A 26 7.876 -9.021 2.112 1.00 0.00 N ATOM 407 CA LEU A 26 8.678 -8.956 3.367 1.00 0.00 C ATOM 408 C LEU A 26 7.758 -9.187 4.565 1.00 0.00 C ATOM 409 O LEU A 26 8.076 -9.924 5.476 1.00 0.00 O ATOM 410 CB LEU A 26 9.264 -7.543 3.398 1.00 0.00 C ATOM 411 CG LEU A 26 10.608 -7.530 2.667 1.00 0.00 C ATOM 412 CD1 LEU A 26 10.475 -6.732 1.368 1.00 0.00 C ATOM 413 CD2 LEU A 26 11.668 -6.877 3.557 1.00 0.00 C ATOM 0 H LEU A 26 8.073 -8.290 1.429 1.00 0.00 H new ATOM 0 HA LEU A 26 9.463 -9.711 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.575 -6.842 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.396 -7.215 4.429 1.00 0.00 H new ATOM 0 HG LEU A 26 10.905 -8.553 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.432 -6.723 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.720 -7.195 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.177 -5.709 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.625 -6.868 3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.370 -5.854 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.765 -7.443 4.483 1.00 0.00 H new ATOM 425 N PHE A 27 6.608 -8.569 4.557 1.00 0.00 N ATOM 426 CA PHE A 27 5.649 -8.755 5.680 1.00 0.00 C ATOM 427 C PHE A 27 4.215 -8.817 5.147 1.00 0.00 C ATOM 428 O PHE A 27 3.268 -8.819 5.907 1.00 0.00 O ATOM 429 CB PHE A 27 5.824 -7.531 6.571 1.00 0.00 C ATOM 430 CG PHE A 27 6.970 -7.764 7.522 1.00 0.00 C ATOM 431 CD1 PHE A 27 6.821 -8.652 8.593 1.00 0.00 C ATOM 432 CD2 PHE A 27 8.184 -7.096 7.330 1.00 0.00 C ATOM 433 CE1 PHE A 27 7.886 -8.871 9.475 1.00 0.00 C ATOM 434 CE2 PHE A 27 9.250 -7.315 8.210 1.00 0.00 C ATOM 435 CZ PHE A 27 9.101 -8.202 9.283 1.00 0.00 C ATOM 0 H PHE A 27 6.292 -7.941 3.818 1.00 0.00 H new ATOM 0 HA PHE A 27 5.834 -9.683 6.221 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.017 -6.648 5.961 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.907 -7.339 7.129 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.884 -9.169 8.739 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.299 -6.411 6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.771 -9.555 10.303 1.00 0.00 H new ATOM 0 HE2 PHE A 27 10.188 -6.800 8.061 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.923 -8.370 9.963 1.00 0.00 H new ATOM 445 N LYS A 28 4.056 -8.868 3.846 1.00 0.00 N ATOM 446 CA LYS A 28 2.688 -8.931 3.231 1.00 0.00 C ATOM 447 C LYS A 28 2.060 -7.533 3.200 1.00 0.00 C ATOM 448 O LYS A 28 0.852 -7.381 3.162 1.00 0.00 O ATOM 449 CB LYS A 28 1.854 -9.883 4.101 1.00 0.00 C ATOM 450 CG LYS A 28 2.710 -11.069 4.563 1.00 0.00 C ATOM 451 CD LYS A 28 2.113 -12.373 4.026 1.00 0.00 C ATOM 452 CE LYS A 28 2.487 -12.537 2.550 1.00 0.00 C ATOM 453 NZ LYS A 28 3.209 -13.838 2.476 1.00 0.00 N ATOM 0 H LYS A 28 4.824 -8.869 3.175 1.00 0.00 H new ATOM 0 HA LYS A 28 2.733 -9.290 2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.464 -9.348 4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.995 -10.244 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.734 -10.952 4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.752 -11.098 5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.485 -13.220 4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.029 -12.362 4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.600 -12.542 1.917 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.118 -11.716 2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.497 -14.020 1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.052 -13.802 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.582 -14.602 2.800 1.00 0.00 H new ATOM 467 N LEU A 29 2.873 -6.509 3.192 1.00 0.00 N ATOM 468 CA LEU A 29 2.331 -5.118 3.137 1.00 0.00 C ATOM 469 C LEU A 29 2.878 -4.434 1.892 1.00 0.00 C ATOM 470 O LEU A 29 3.656 -5.005 1.162 1.00 0.00 O ATOM 471 CB LEU A 29 2.847 -4.396 4.390 1.00 0.00 C ATOM 472 CG LEU A 29 2.149 -4.918 5.652 1.00 0.00 C ATOM 473 CD1 LEU A 29 0.638 -4.700 5.543 1.00 0.00 C ATOM 474 CD2 LEU A 29 2.439 -6.406 5.827 1.00 0.00 C ATOM 0 H LEU A 29 3.890 -6.576 3.221 1.00 0.00 H new ATOM 0 HA LEU A 29 1.242 -5.106 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.924 -4.540 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.676 -3.324 4.293 1.00 0.00 H new ATOM 0 HG LEU A 29 2.528 -4.372 6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.151 -5.074 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.431 -3.635 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.255 -5.235 4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.940 -6.771 6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.070 -6.953 4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.514 -6.558 5.922 1.00 0.00 H new ATOM 486 N CYS A 30 2.495 -3.219 1.642 1.00 0.00 N ATOM 487 CA CYS A 30 3.022 -2.528 0.441 1.00 0.00 C ATOM 488 C CYS A 30 4.223 -1.664 0.821 1.00 0.00 C ATOM 489 O CYS A 30 4.203 -0.968 1.813 1.00 0.00 O ATOM 490 CB CYS A 30 1.852 -1.685 -0.072 1.00 0.00 C ATOM 491 SG CYS A 30 1.769 -0.084 0.766 1.00 0.00 S ATOM 0 H CYS A 30 1.845 -2.678 2.212 1.00 0.00 H new ATOM 0 HA CYS A 30 3.376 -3.217 -0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.958 -1.530 -1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.918 -2.226 0.081 1.00 0.00 H new ATOM 496 N ASN A 31 5.273 -1.705 0.049 1.00 0.00 N ATOM 497 CA ASN A 31 6.468 -0.879 0.391 1.00 0.00 C ATOM 498 C ASN A 31 7.356 -0.664 -0.827 1.00 0.00 C ATOM 499 O ASN A 31 7.180 -1.271 -1.865 1.00 0.00 O ATOM 500 CB ASN A 31 7.224 -1.680 1.447 1.00 0.00 C ATOM 501 CG ASN A 31 8.625 -1.100 1.643 1.00 0.00 C ATOM 502 OD1 ASN A 31 8.783 0.089 1.835 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.658 -1.898 1.606 1.00 0.00 N ATOM 0 H ASN A 31 5.357 -2.269 -0.797 1.00 0.00 H new ATOM 0 HA ASN A 31 6.175 0.109 0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.678 -1.659 2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.294 -2.724 1.142 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.597 -1.523 1.738 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.526 -2.896 1.445 1.00 0.00 H new