USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=3 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+ 146:sc= -0.223 (180deg=-0.831) USER MOD Single : A 10 ASN : amide:sc= -1.17 K(o=-1.2,f=-13!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) 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 -140:sc= -0.399 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.00435) USER MOD Single : A 31 ASN : amide:sc= -0.606 K(o=-0.61,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 10 N CYS A 2 -6.209 5.157 -1.797 1.00 0.00 N ATOM 11 CA CYS A 2 -5.279 4.003 -1.643 1.00 0.00 C ATOM 12 C CYS A 2 -5.001 3.731 -0.164 1.00 0.00 C ATOM 13 O CYS A 2 -5.638 4.281 0.713 1.00 0.00 O ATOM 14 CB CYS A 2 -3.997 4.423 -2.359 1.00 0.00 C ATOM 15 SG CYS A 2 -3.475 6.051 -1.768 1.00 0.00 S ATOM 0 HA CYS A 2 -5.697 3.086 -2.059 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.211 3.690 -2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.163 4.452 -3.436 1.00 0.00 H new ATOM 20 N LEU A 3 -4.055 2.877 0.118 1.00 0.00 N ATOM 21 CA LEU A 3 -3.731 2.551 1.534 1.00 0.00 C ATOM 22 C LEU A 3 -2.491 3.324 1.995 1.00 0.00 C ATOM 23 O LEU A 3 -2.149 4.352 1.447 1.00 0.00 O ATOM 24 CB LEU A 3 -3.460 1.049 1.520 1.00 0.00 C ATOM 25 CG LEU A 3 -4.769 0.302 1.267 1.00 0.00 C ATOM 26 CD1 LEU A 3 -5.072 0.294 -0.233 1.00 0.00 C ATOM 27 CD2 LEU A 3 -4.639 -1.138 1.770 1.00 0.00 C ATOM 0 H LEU A 3 -3.490 2.389 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.532 2.823 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.734 0.806 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.028 0.737 2.471 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.580 0.801 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.006 -0.239 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.165 1.319 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.262 -0.204 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.572 -1.672 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.828 -1.637 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.425 -1.132 2.839 1.00 0.00 H new ATOM 39 N GLU A 4 -1.821 2.839 3.007 1.00 0.00 N ATOM 40 CA GLU A 4 -0.610 3.548 3.512 1.00 0.00 C ATOM 41 C GLU A 4 0.656 3.018 2.833 1.00 0.00 C ATOM 42 O GLU A 4 0.598 2.229 1.911 1.00 0.00 O ATOM 43 CB GLU A 4 -0.577 3.245 5.011 1.00 0.00 C ATOM 44 CG GLU A 4 0.168 4.364 5.742 1.00 0.00 C ATOM 45 CD GLU A 4 -0.774 5.038 6.741 1.00 0.00 C ATOM 46 OE1 GLU A 4 -1.658 4.362 7.244 1.00 0.00 O ATOM 47 OE2 GLU A 4 -0.598 6.221 6.987 1.00 0.00 O ATOM 0 H GLU A 4 -2.061 1.982 3.506 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.648 4.617 3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.592 3.157 5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.084 2.289 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.036 3.958 6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.539 5.096 5.025 1.00 0.00 H new ATOM 54 N PHE A 5 1.802 3.452 3.287 1.00 0.00 N ATOM 55 CA PHE A 5 3.080 2.988 2.676 1.00 0.00 C ATOM 56 C PHE A 5 3.441 1.588 3.197 1.00 0.00 C ATOM 57 O PHE A 5 4.504 1.072 2.917 1.00 0.00 O ATOM 58 CB PHE A 5 4.115 4.045 3.109 1.00 0.00 C ATOM 59 CG PHE A 5 5.465 3.409 3.378 1.00 0.00 C ATOM 60 CD1 PHE A 5 5.704 2.764 4.598 1.00 0.00 C ATOM 61 CD2 PHE A 5 6.474 3.471 2.410 1.00 0.00 C ATOM 62 CE1 PHE A 5 6.952 2.181 4.849 1.00 0.00 C ATOM 63 CE2 PHE A 5 7.722 2.888 2.661 1.00 0.00 C ATOM 64 CZ PHE A 5 7.961 2.243 3.881 1.00 0.00 C ATOM 0 H PHE A 5 1.907 4.111 4.058 1.00 0.00 H new ATOM 0 HA PHE A 5 3.028 2.897 1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.215 4.801 2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.765 4.555 4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.926 2.716 5.345 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.290 3.969 1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.136 1.683 5.790 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.500 2.936 1.914 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.924 1.794 4.075 1.00 0.00 H new ATOM 74 N TRP A 6 2.570 0.972 3.950 1.00 0.00 N ATOM 75 CA TRP A 6 2.877 -0.389 4.479 1.00 0.00 C ATOM 76 C TRP A 6 1.591 -1.097 4.915 1.00 0.00 C ATOM 77 O TRP A 6 1.481 -1.577 6.025 1.00 0.00 O ATOM 78 CB TRP A 6 3.794 -0.147 5.679 1.00 0.00 C ATOM 79 CG TRP A 6 4.361 -1.446 6.154 1.00 0.00 C ATOM 80 CD1 TRP A 6 4.090 -2.021 7.347 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.292 -2.337 5.473 1.00 0.00 C ATOM 82 NE1 TRP A 6 4.791 -3.208 7.443 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.548 -3.447 6.313 1.00 0.00 C ATOM 84 CE3 TRP A 6 5.934 -2.293 4.222 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.409 -4.475 5.927 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.802 -3.327 3.830 1.00 0.00 C ATOM 87 CH2 TRP A 6 7.037 -4.415 4.681 1.00 0.00 C ATOM 0 H TRP A 6 1.662 1.350 4.221 1.00 0.00 H new ATOM 0 HA TRP A 6 3.345 -1.027 3.729 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.600 0.532 5.401 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.236 0.333 6.483 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.432 -1.618 8.103 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.754 -3.831 8.250 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.759 -1.459 3.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.588 -5.311 6.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 7.290 -3.282 2.868 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.704 -5.207 4.373 1.00 0.00 H new ATOM 98 N TRP A 7 0.622 -1.171 4.047 1.00 0.00 N ATOM 99 CA TRP A 7 -0.651 -1.856 4.409 1.00 0.00 C ATOM 100 C TRP A 7 -0.774 -3.149 3.607 1.00 0.00 C ATOM 101 O TRP A 7 -0.070 -3.344 2.637 1.00 0.00 O ATOM 102 CB TRP A 7 -1.756 -0.874 4.019 1.00 0.00 C ATOM 103 CG TRP A 7 -2.112 -0.027 5.197 1.00 0.00 C ATOM 104 CD1 TRP A 7 -1.335 0.151 6.290 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.318 0.758 5.419 1.00 0.00 C ATOM 106 NE1 TRP A 7 -1.989 0.996 7.170 1.00 0.00 N ATOM 107 CE2 TRP A 7 -3.216 1.397 6.678 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.481 0.975 4.657 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -4.232 2.221 7.164 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.504 1.804 5.143 1.00 0.00 C ATOM 111 CH2 TRP A 7 -5.381 2.426 6.394 1.00 0.00 C ATOM 0 H TRP A 7 0.656 -0.787 3.103 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.704 -2.119 5.465 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.423 -0.245 3.193 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.634 -1.418 3.671 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.364 -0.293 6.450 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.611 1.287 8.072 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.587 0.501 3.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -4.132 2.697 8.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.392 1.964 4.550 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.172 3.062 6.762 1.00 0.00 H new ATOM 122 N LYS A 8 -1.653 -4.038 4.000 1.00 0.00 N ATOM 123 CA LYS A 8 -1.799 -5.316 3.239 1.00 0.00 C ATOM 124 C LYS A 8 -1.700 -5.040 1.745 1.00 0.00 C ATOM 125 O LYS A 8 -1.969 -3.947 1.286 1.00 0.00 O ATOM 126 CB LYS A 8 -3.182 -5.886 3.580 1.00 0.00 C ATOM 127 CG LYS A 8 -4.162 -4.769 3.961 1.00 0.00 C ATOM 128 CD LYS A 8 -4.285 -4.690 5.483 1.00 0.00 C ATOM 129 CE LYS A 8 -5.487 -5.520 5.942 1.00 0.00 C ATOM 130 NZ LYS A 8 -4.932 -6.870 6.238 1.00 0.00 N ATOM 0 H LYS A 8 -2.269 -3.936 4.806 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.013 -6.023 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.571 -6.439 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.094 -6.593 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.814 -3.815 3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.139 -4.961 3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.373 -5.061 5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.405 -3.653 5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.955 -5.083 6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.252 -5.569 5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.451 -7.292 7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.031 -7.477 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.926 -6.785 6.487 1.00 0.00 H new ATOM 144 N CYS A 9 -1.304 -6.012 0.982 1.00 0.00 N ATOM 145 CA CYS A 9 -1.176 -5.782 -0.487 1.00 0.00 C ATOM 146 C CYS A 9 -1.192 -7.100 -1.260 1.00 0.00 C ATOM 147 O CYS A 9 -1.209 -8.172 -0.691 1.00 0.00 O ATOM 148 CB CYS A 9 0.177 -5.089 -0.654 1.00 0.00 C ATOM 149 SG CYS A 9 1.504 -6.267 -0.299 1.00 0.00 S ATOM 0 H CYS A 9 -1.064 -6.950 1.303 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.005 -5.190 -0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.278 -4.705 -1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.245 -4.234 0.018 1.00 0.00 H new ATOM 154 N ASN A 10 -1.184 -7.016 -2.561 1.00 0.00 N ATOM 155 CA ASN A 10 -1.193 -8.246 -3.398 1.00 0.00 C ATOM 156 C ASN A 10 -0.653 -7.919 -4.794 1.00 0.00 C ATOM 157 O ASN A 10 -1.150 -7.031 -5.457 1.00 0.00 O ATOM 158 CB ASN A 10 -2.663 -8.661 -3.472 1.00 0.00 C ATOM 159 CG ASN A 10 -2.781 -10.024 -4.159 1.00 0.00 C ATOM 160 OD1 ASN A 10 -1.803 -10.562 -4.638 1.00 0.00 O ATOM 161 ND2 ASN A 10 -3.945 -10.607 -4.226 1.00 0.00 N ATOM 0 H ASN A 10 -1.172 -6.140 -3.084 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.570 -9.041 -2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.088 -8.710 -2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.234 -7.914 -4.024 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.035 -11.516 -4.681 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.766 -10.155 -3.824 1.00 0.00 H new ATOM 168 N PRO A 11 0.352 -8.651 -5.194 1.00 0.00 N ATOM 169 CA PRO A 11 0.970 -8.436 -6.526 1.00 0.00 C ATOM 170 C PRO A 11 -0.030 -8.754 -7.640 1.00 0.00 C ATOM 171 O PRO A 11 0.206 -8.472 -8.798 1.00 0.00 O ATOM 172 CB PRO A 11 2.152 -9.405 -6.533 1.00 0.00 C ATOM 173 CG PRO A 11 1.783 -10.451 -5.533 1.00 0.00 C ATOM 174 CD PRO A 11 0.999 -9.741 -4.462 1.00 0.00 C ATOM 0 HA PRO A 11 1.280 -7.405 -6.698 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.305 -9.837 -7.522 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.079 -8.902 -6.258 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.188 -11.240 -5.994 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.672 -10.924 -5.117 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.269 -10.400 -3.992 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.647 -9.366 -3.669 1.00 0.00 H new ATOM 182 N ASN A 12 -1.151 -9.322 -7.296 1.00 0.00 N ATOM 183 CA ASN A 12 -2.172 -9.638 -8.333 1.00 0.00 C ATOM 184 C ASN A 12 -3.274 -8.578 -8.300 1.00 0.00 C ATOM 185 O ASN A 12 -4.010 -8.396 -9.250 1.00 0.00 O ATOM 186 CB ASN A 12 -2.730 -11.008 -7.945 1.00 0.00 C ATOM 187 CG ASN A 12 -3.179 -11.751 -9.205 1.00 0.00 C ATOM 188 OD1 ASN A 12 -4.341 -11.727 -9.556 1.00 0.00 O ATOM 189 ND2 ASN A 12 -2.300 -12.418 -9.903 1.00 0.00 N ATOM 0 H ASN A 12 -1.405 -9.581 -6.343 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.757 -9.648 -9.341 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.970 -11.587 -7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.570 -10.890 -7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.590 -12.919 -10.743 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.324 -12.438 -9.608 1.00 0.00 H new ATOM 196 N ASP A 13 -3.389 -7.874 -7.205 1.00 0.00 N ATOM 197 CA ASP A 13 -4.438 -6.820 -7.096 1.00 0.00 C ATOM 198 C ASP A 13 -4.166 -5.936 -5.876 1.00 0.00 C ATOM 199 O ASP A 13 -5.016 -5.751 -5.028 1.00 0.00 O ATOM 200 CB ASP A 13 -5.749 -7.586 -6.924 1.00 0.00 C ATOM 201 CG ASP A 13 -6.821 -6.969 -7.824 1.00 0.00 C ATOM 202 OD1 ASP A 13 -7.332 -5.920 -7.469 1.00 0.00 O ATOM 203 OD2 ASP A 13 -7.113 -7.556 -8.852 1.00 0.00 O ATOM 0 H ASP A 13 -2.800 -7.984 -6.380 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.462 -6.164 -7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.605 -8.636 -7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.069 -7.551 -5.883 1.00 0.00 H new ATOM 208 N ASP A 14 -2.987 -5.388 -5.781 1.00 0.00 N ATOM 209 CA ASP A 14 -2.657 -4.516 -4.615 1.00 0.00 C ATOM 210 C ASP A 14 -3.435 -3.198 -4.703 1.00 0.00 C ATOM 211 O ASP A 14 -4.103 -2.927 -5.680 1.00 0.00 O ATOM 212 CB ASP A 14 -1.154 -4.258 -4.731 1.00 0.00 C ATOM 213 CG ASP A 14 -0.834 -3.748 -6.137 1.00 0.00 C ATOM 214 OD1 ASP A 14 -0.985 -2.559 -6.363 1.00 0.00 O ATOM 215 OD2 ASP A 14 -0.444 -4.556 -6.964 1.00 0.00 O ATOM 0 H ASP A 14 -2.235 -5.505 -6.460 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.921 -4.978 -3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.841 -3.526 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.600 -5.175 -4.530 1.00 0.00 H new ATOM 220 N LYS A 15 -3.355 -2.377 -3.688 1.00 0.00 N ATOM 221 CA LYS A 15 -4.095 -1.081 -3.726 1.00 0.00 C ATOM 222 C LYS A 15 -3.288 0.029 -3.042 1.00 0.00 C ATOM 223 O LYS A 15 -3.768 1.129 -2.859 1.00 0.00 O ATOM 224 CB LYS A 15 -5.398 -1.336 -2.967 1.00 0.00 C ATOM 225 CG LYS A 15 -6.379 -0.195 -3.247 1.00 0.00 C ATOM 226 CD LYS A 15 -7.741 -0.522 -2.634 1.00 0.00 C ATOM 227 CE LYS A 15 -8.852 0.042 -3.526 1.00 0.00 C ATOM 228 NZ LYS A 15 -9.265 -1.089 -4.409 1.00 0.00 N ATOM 0 H LYS A 15 -2.813 -2.546 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.275 -0.752 -4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.832 -2.287 -3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.201 -1.407 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.996 0.737 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.480 -0.045 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.856 -1.601 -2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.813 -0.097 -1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.691 0.401 -2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.493 0.888 -4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.024 -0.773 -5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.450 -1.406 -4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.610 -1.877 -3.825 1.00 0.00 H new ATOM 242 N CYS A 16 -2.065 -0.240 -2.665 1.00 0.00 N ATOM 243 CA CYS A 16 -1.250 0.821 -2.002 1.00 0.00 C ATOM 244 C CYS A 16 -1.147 2.041 -2.920 1.00 0.00 C ATOM 245 O CYS A 16 -1.105 1.911 -4.128 1.00 0.00 O ATOM 246 CB CYS A 16 0.133 0.201 -1.781 1.00 0.00 C ATOM 247 SG CYS A 16 1.064 1.216 -0.602 1.00 0.00 S ATOM 0 H CYS A 16 -1.599 -1.139 -2.786 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.693 1.153 -1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.032 -0.816 -1.402 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.671 0.137 -2.727 1.00 0.00 H new ATOM 252 N CYS A 17 -1.107 3.225 -2.364 1.00 0.00 N ATOM 253 CA CYS A 17 -1.006 4.444 -3.219 1.00 0.00 C ATOM 254 C CYS A 17 0.010 4.200 -4.339 1.00 0.00 C ATOM 255 O CYS A 17 0.786 3.266 -4.285 1.00 0.00 O ATOM 256 CB CYS A 17 -0.531 5.551 -2.277 1.00 0.00 C ATOM 257 SG CYS A 17 -1.686 5.708 -0.892 1.00 0.00 S ATOM 0 H CYS A 17 -1.140 3.399 -1.360 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.950 4.707 -3.696 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.468 5.323 -1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.463 6.496 -2.816 1.00 0.00 H new ATOM 262 N ARG A 18 0.006 5.011 -5.361 1.00 0.00 N ATOM 263 CA ARG A 18 0.972 4.780 -6.473 1.00 0.00 C ATOM 264 C ARG A 18 2.019 5.899 -6.594 1.00 0.00 C ATOM 265 O ARG A 18 2.456 6.199 -7.687 1.00 0.00 O ATOM 266 CB ARG A 18 0.108 4.739 -7.730 1.00 0.00 C ATOM 267 CG ARG A 18 0.424 3.469 -8.514 1.00 0.00 C ATOM 268 CD ARG A 18 -0.130 2.257 -7.760 1.00 0.00 C ATOM 269 NE ARG A 18 0.323 1.075 -8.543 1.00 0.00 N ATOM 270 CZ ARG A 18 -0.488 0.072 -8.735 1.00 0.00 C ATOM 271 NH1 ARG A 18 -1.600 0.251 -9.394 1.00 0.00 N ATOM 272 NH2 ARG A 18 -0.188 -1.110 -8.269 1.00 0.00 N ATOM 0 H ARG A 18 -0.614 5.813 -5.475 1.00 0.00 H new ATOM 0 HA ARG A 18 1.541 3.866 -6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.948 4.761 -7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.299 5.618 -8.346 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.016 3.524 -9.510 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.501 3.368 -8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.248 2.222 -6.738 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.217 2.295 -7.697 1.00 0.00 H new ATOM 0 HE ARG A 18 1.267 1.050 -8.929 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.834 1.175 -9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.235 -0.533 -9.545 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.681 -1.250 -7.754 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.823 -1.894 -8.420 1.00 0.00 H new ATOM 286 N PRO A 19 2.415 6.473 -5.486 1.00 0.00 N ATOM 287 CA PRO A 19 3.440 7.538 -5.538 1.00 0.00 C ATOM 288 C PRO A 19 4.817 6.902 -5.732 1.00 0.00 C ATOM 289 O PRO A 19 5.722 7.499 -6.281 1.00 0.00 O ATOM 290 CB PRO A 19 3.345 8.202 -4.168 1.00 0.00 C ATOM 291 CG PRO A 19 2.787 7.147 -3.264 1.00 0.00 C ATOM 292 CD PRO A 19 1.965 6.208 -4.113 1.00 0.00 C ATOM 0 HA PRO A 19 3.293 8.246 -6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.323 8.539 -3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.698 9.079 -4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.591 6.607 -2.764 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.172 7.597 -2.485 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.133 5.168 -3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.898 6.400 -4.000 1.00 0.00 H new ATOM 300 N LYS A 20 4.969 5.687 -5.274 1.00 0.00 N ATOM 301 CA LYS A 20 6.272 4.974 -5.409 1.00 0.00 C ATOM 302 C LYS A 20 6.289 3.762 -4.472 1.00 0.00 C ATOM 303 O LYS A 20 7.295 3.445 -3.868 1.00 0.00 O ATOM 304 CB LYS A 20 7.338 5.988 -4.986 1.00 0.00 C ATOM 305 CG LYS A 20 8.151 6.410 -6.211 1.00 0.00 C ATOM 306 CD LYS A 20 8.829 7.754 -5.936 1.00 0.00 C ATOM 307 CE LYS A 20 10.104 7.864 -6.775 1.00 0.00 C ATOM 308 NZ LYS A 20 11.206 8.003 -5.781 1.00 0.00 N ATOM 0 H LYS A 20 4.236 5.153 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 20 6.444 4.612 -6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.867 6.859 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.994 5.550 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.901 5.653 -6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.501 6.490 -7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.150 8.572 -6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.069 7.842 -4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.244 6.981 -7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.064 8.724 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.115 8.084 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.049 8.855 -5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.223 7.167 -5.163 1.00 0.00 H new ATOM 322 N LEU A 21 5.176 3.090 -4.337 1.00 0.00 N ATOM 323 CA LEU A 21 5.123 1.906 -3.431 1.00 0.00 C ATOM 324 C LEU A 21 4.733 0.650 -4.218 1.00 0.00 C ATOM 325 O LEU A 21 4.264 0.725 -5.336 1.00 0.00 O ATOM 326 CB LEU A 21 4.039 2.237 -2.400 1.00 0.00 C ATOM 327 CG LEU A 21 4.245 3.653 -1.854 1.00 0.00 C ATOM 328 CD1 LEU A 21 2.933 4.163 -1.255 1.00 0.00 C ATOM 329 CD2 LEU A 21 5.326 3.632 -0.769 1.00 0.00 C ATOM 0 H LEU A 21 4.302 3.310 -4.815 1.00 0.00 H new ATOM 0 HA LEU A 21 6.088 1.708 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.053 2.156 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.071 1.516 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 21 4.557 4.312 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.078 5.171 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.163 4.179 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.622 3.503 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.472 4.640 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.015 2.973 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.261 3.268 -1.194 1.00 0.00 H new ATOM 341 N LYS A 22 4.916 -0.504 -3.635 1.00 0.00 N ATOM 342 CA LYS A 22 4.551 -1.761 -4.331 1.00 0.00 C ATOM 343 C LYS A 22 4.409 -2.901 -3.316 1.00 0.00 C ATOM 344 O LYS A 22 5.219 -3.048 -2.424 1.00 0.00 O ATOM 345 CB LYS A 22 5.705 -2.033 -5.297 1.00 0.00 C ATOM 346 CG LYS A 22 5.276 -3.073 -6.333 1.00 0.00 C ATOM 347 CD LYS A 22 6.333 -4.176 -6.412 1.00 0.00 C ATOM 348 CE LYS A 22 6.103 -5.022 -7.667 1.00 0.00 C ATOM 349 NZ LYS A 22 5.613 -6.336 -7.163 1.00 0.00 N ATOM 0 H LYS A 22 5.306 -0.626 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 22 3.599 -1.684 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.000 -1.110 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.576 -2.391 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.310 -3.498 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.152 -2.602 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.330 -3.736 -6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.283 -4.805 -5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.373 -4.556 -8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.024 -5.137 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.433 -6.971 -7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.332 -6.759 -6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.732 -6.196 -6.628 1.00 0.00 H new ATOM 363 N CYS A 23 3.381 -3.702 -3.441 1.00 0.00 N ATOM 364 CA CYS A 23 3.187 -4.827 -2.478 1.00 0.00 C ATOM 365 C CYS A 23 4.528 -5.485 -2.143 1.00 0.00 C ATOM 366 O CYS A 23 5.407 -5.592 -2.975 1.00 0.00 O ATOM 367 CB CYS A 23 2.272 -5.824 -3.195 1.00 0.00 C ATOM 368 SG CYS A 23 1.858 -7.179 -2.068 1.00 0.00 S ATOM 0 H CYS A 23 2.669 -3.625 -4.167 1.00 0.00 H new ATOM 0 HA CYS A 23 2.757 -4.482 -1.537 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.363 -5.324 -3.530 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.767 -6.214 -4.084 1.00 0.00 H new ATOM 373 N SER A 24 4.688 -5.920 -0.926 1.00 0.00 N ATOM 374 CA SER A 24 5.963 -6.567 -0.517 1.00 0.00 C ATOM 375 C SER A 24 5.669 -7.846 0.267 1.00 0.00 C ATOM 376 O SER A 24 5.087 -7.809 1.340 1.00 0.00 O ATOM 377 CB SER A 24 6.651 -5.540 0.376 1.00 0.00 C ATOM 378 OG SER A 24 7.591 -4.801 -0.393 1.00 0.00 O ATOM 0 H SER A 24 3.984 -5.854 -0.191 1.00 0.00 H new ATOM 0 HA SER A 24 6.582 -6.848 -1.369 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.912 -4.868 0.812 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.154 -6.040 1.203 1.00 0.00 H new ATOM 0 HG SER A 24 8.401 -4.651 0.137 1.00 0.00 H new ATOM 384 N LYS A 25 6.061 -8.976 -0.259 1.00 0.00 N ATOM 385 CA LYS A 25 5.805 -10.257 0.451 1.00 0.00 C ATOM 386 C LYS A 25 6.575 -10.285 1.773 1.00 0.00 C ATOM 387 O LYS A 25 6.251 -11.036 2.673 1.00 0.00 O ATOM 388 CB LYS A 25 6.311 -11.344 -0.498 1.00 0.00 C ATOM 389 CG LYS A 25 5.190 -11.731 -1.467 1.00 0.00 C ATOM 390 CD LYS A 25 5.684 -12.822 -2.419 1.00 0.00 C ATOM 391 CE LYS A 25 4.917 -12.731 -3.739 1.00 0.00 C ATOM 392 NZ LYS A 25 4.593 -14.141 -4.093 1.00 0.00 N ATOM 0 H LYS A 25 6.548 -9.064 -1.151 1.00 0.00 H new ATOM 0 HA LYS A 25 4.752 -10.396 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.178 -10.985 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.634 -12.217 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.322 -12.086 -0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.869 -10.857 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.753 -12.707 -2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.540 -13.805 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.012 -12.133 -3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.520 -12.258 -4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.066 -14.162 -4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.474 -14.684 -4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.013 -14.563 -3.340 1.00 0.00 H new ATOM 406 N LEU A 26 7.587 -9.467 1.902 1.00 0.00 N ATOM 407 CA LEU A 26 8.369 -9.439 3.170 1.00 0.00 C ATOM 408 C LEU A 26 7.412 -9.513 4.362 1.00 0.00 C ATOM 409 O LEU A 26 7.636 -10.239 5.311 1.00 0.00 O ATOM 410 CB LEU A 26 9.103 -8.096 3.157 1.00 0.00 C ATOM 411 CG LEU A 26 10.420 -8.234 2.392 1.00 0.00 C ATOM 412 CD1 LEU A 26 10.156 -8.094 0.891 1.00 0.00 C ATOM 413 CD2 LEU A 26 11.386 -7.137 2.844 1.00 0.00 C ATOM 0 H LEU A 26 7.905 -8.817 1.183 1.00 0.00 H new ATOM 0 HA LEU A 26 9.062 -10.276 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.479 -7.334 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.297 -7.767 4.178 1.00 0.00 H new ATOM 0 HG LEU A 26 10.858 -9.212 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.095 -8.192 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.466 -8.874 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.719 -7.116 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.326 -7.233 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.948 -6.160 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.574 -7.235 3.913 1.00 0.00 H new ATOM 425 N PHE A 27 6.340 -8.769 4.312 1.00 0.00 N ATOM 426 CA PHE A 27 5.359 -8.795 5.432 1.00 0.00 C ATOM 427 C PHE A 27 3.929 -8.804 4.890 1.00 0.00 C ATOM 428 O PHE A 27 2.977 -8.630 5.626 1.00 0.00 O ATOM 429 CB PHE A 27 5.610 -7.516 6.219 1.00 0.00 C ATOM 430 CG PHE A 27 6.794 -7.718 7.130 1.00 0.00 C ATOM 431 CD1 PHE A 27 6.626 -8.359 8.362 1.00 0.00 C ATOM 432 CD2 PHE A 27 8.060 -7.271 6.739 1.00 0.00 C ATOM 433 CE1 PHE A 27 7.724 -8.553 9.204 1.00 0.00 C ATOM 434 CE2 PHE A 27 9.160 -7.465 7.580 1.00 0.00 C ATOM 435 CZ PHE A 27 8.994 -8.106 8.813 1.00 0.00 C ATOM 0 H PHE A 27 6.102 -8.144 3.542 1.00 0.00 H new ATOM 0 HA PHE A 27 5.476 -9.686 6.049 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.798 -6.687 5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.727 -7.255 6.803 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.648 -8.704 8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.188 -6.776 5.788 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.594 -9.047 10.156 1.00 0.00 H new ATOM 0 HE2 PHE A 27 10.138 -7.120 7.278 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.844 -8.256 9.463 1.00 0.00 H new ATOM 445 N LYS A 28 3.769 -9.010 3.609 1.00 0.00 N ATOM 446 CA LYS A 28 2.396 -9.036 3.013 1.00 0.00 C ATOM 447 C LYS A 28 1.822 -7.617 2.961 1.00 0.00 C ATOM 448 O LYS A 28 0.622 -7.421 2.917 1.00 0.00 O ATOM 449 CB LYS A 28 1.545 -9.919 3.941 1.00 0.00 C ATOM 450 CG LYS A 28 2.388 -11.070 4.507 1.00 0.00 C ATOM 451 CD LYS A 28 1.640 -12.392 4.322 1.00 0.00 C ATOM 452 CE LYS A 28 2.443 -13.311 3.398 1.00 0.00 C ATOM 453 NZ LYS A 28 3.504 -13.895 4.263 1.00 0.00 N ATOM 0 H LYS A 28 4.530 -9.162 2.947 1.00 0.00 H new ATOM 0 HA LYS A 28 2.408 -9.425 1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.144 -9.318 4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.693 -10.320 3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.352 -11.112 4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.591 -10.900 5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.488 -12.874 5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.653 -12.207 3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.811 -14.089 2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.874 -12.755 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.429 -13.785 3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.515 -13.403 5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.311 -14.906 4.415 1.00 0.00 H new ATOM 467 N LEU A 29 2.672 -6.626 2.959 1.00 0.00 N ATOM 468 CA LEU A 29 2.173 -5.220 2.905 1.00 0.00 C ATOM 469 C LEU A 29 2.827 -4.486 1.740 1.00 0.00 C ATOM 470 O LEU A 29 3.662 -5.027 1.049 1.00 0.00 O ATOM 471 CB LEU A 29 2.584 -4.588 4.237 1.00 0.00 C ATOM 472 CG LEU A 29 2.136 -5.486 5.391 1.00 0.00 C ATOM 473 CD1 LEU A 29 3.233 -5.534 6.453 1.00 0.00 C ATOM 474 CD2 LEU A 29 0.853 -4.922 6.010 1.00 0.00 C ATOM 0 H LEU A 29 3.686 -6.727 2.992 1.00 0.00 H new ATOM 0 HA LEU A 29 1.094 -5.170 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.665 -4.451 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.135 -3.600 4.336 1.00 0.00 H new ATOM 0 HG LEU A 29 1.947 -6.492 5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.915 -6.174 7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.147 -5.935 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.421 -4.528 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.534 -5.562 6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.042 -3.916 6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.069 -4.886 5.253 1.00 0.00 H new ATOM 486 N CYS A 30 2.449 -3.261 1.505 1.00 0.00 N ATOM 487 CA CYS A 30 3.046 -2.514 0.372 1.00 0.00 C ATOM 488 C CYS A 30 4.229 -1.663 0.840 1.00 0.00 C ATOM 489 O CYS A 30 4.139 -0.926 1.797 1.00 0.00 O ATOM 490 CB CYS A 30 1.904 -1.646 -0.168 1.00 0.00 C ATOM 491 SG CYS A 30 1.750 -0.103 0.767 1.00 0.00 S ATOM 0 H CYS A 30 1.754 -2.749 2.049 1.00 0.00 H new ATOM 0 HA CYS A 30 3.447 -3.176 -0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.082 -1.420 -1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.967 -2.200 -0.115 1.00 0.00 H new ATOM 496 N ASN A 31 5.332 -1.755 0.156 1.00 0.00 N ATOM 497 CA ASN A 31 6.517 -0.942 0.546 1.00 0.00 C ATOM 498 C ASN A 31 6.821 0.065 -0.563 1.00 0.00 C ATOM 499 O ASN A 31 5.927 0.568 -1.214 1.00 0.00 O ATOM 500 CB ASN A 31 7.661 -1.943 0.699 1.00 0.00 C ATOM 501 CG ASN A 31 8.651 -1.430 1.748 1.00 0.00 C ATOM 502 OD1 ASN A 31 8.728 -0.243 1.996 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.415 -2.279 2.378 1.00 0.00 N ATOM 0 H ASN A 31 5.466 -2.357 -0.656 1.00 0.00 H new ATOM 0 HA ASN A 31 6.359 -0.379 1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.270 -2.916 0.998 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.167 -2.082 -0.256 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.077 -1.946 3.079 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.350 -3.275 2.170 1.00 0.00 H new