USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=1 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= -3.21! C(o=-3.2!,f=-21!) USER MOD Single : A 12 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.18) 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 -130:sc= -2.22! 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= -0.791 K(o=-0.79,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 10 N CYS A 2 -6.538 4.662 -1.513 1.00 0.00 N ATOM 11 CA CYS A 2 -5.572 3.542 -1.346 1.00 0.00 C ATOM 12 C CYS A 2 -5.224 3.360 0.132 1.00 0.00 C ATOM 13 O CYS A 2 -5.841 3.937 1.004 1.00 0.00 O ATOM 14 CB CYS A 2 -4.336 3.964 -2.138 1.00 0.00 C ATOM 15 SG CYS A 2 -3.840 5.631 -1.642 1.00 0.00 S ATOM 0 HA CYS A 2 -5.977 2.593 -1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.521 3.263 -1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.550 3.940 -3.206 1.00 0.00 H new ATOM 20 N LEU A 3 -4.239 2.555 0.418 1.00 0.00 N ATOM 21 CA LEU A 3 -3.849 2.324 1.834 1.00 0.00 C ATOM 22 C LEU A 3 -2.714 3.272 2.242 1.00 0.00 C ATOM 23 O LEU A 3 -2.747 4.453 1.955 1.00 0.00 O ATOM 24 CB LEU A 3 -3.387 0.869 1.867 1.00 0.00 C ATOM 25 CG LEU A 3 -4.551 -0.045 1.480 1.00 0.00 C ATOM 26 CD1 LEU A 3 -4.527 -0.296 -0.029 1.00 0.00 C ATOM 27 CD2 LEU A 3 -4.417 -1.377 2.220 1.00 0.00 C ATOM 0 H LEU A 3 -3.686 2.046 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.666 2.512 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.554 0.725 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.026 0.614 2.863 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.493 0.432 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.357 -0.947 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.621 0.653 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.586 -0.773 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.245 -2.030 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.475 -1.852 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.435 -1.199 3.295 1.00 0.00 H new ATOM 39 N GLU A 4 -1.713 2.771 2.919 1.00 0.00 N ATOM 40 CA GLU A 4 -0.589 3.651 3.350 1.00 0.00 C ATOM 41 C GLU A 4 0.735 3.173 2.750 1.00 0.00 C ATOM 42 O GLU A 4 0.770 2.297 1.911 1.00 0.00 O ATOM 43 CB GLU A 4 -0.555 3.532 4.873 1.00 0.00 C ATOM 44 CG GLU A 4 -0.013 4.830 5.473 1.00 0.00 C ATOM 45 CD GLU A 4 -0.609 5.037 6.867 1.00 0.00 C ATOM 46 OE1 GLU A 4 -0.382 4.193 7.717 1.00 0.00 O ATOM 47 OE2 GLU A 4 -1.281 6.036 7.060 1.00 0.00 O ATOM 0 H GLU A 4 -1.627 1.792 3.191 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.729 4.680 3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.556 3.332 5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.073 2.692 5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.075 4.789 5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.265 5.673 4.830 1.00 0.00 H new ATOM 54 N PHE A 5 1.822 3.753 3.177 1.00 0.00 N ATOM 55 CA PHE A 5 3.153 3.353 2.638 1.00 0.00 C ATOM 56 C PHE A 5 3.524 1.938 3.095 1.00 0.00 C ATOM 57 O PHE A 5 4.553 1.411 2.723 1.00 0.00 O ATOM 58 CB PHE A 5 4.128 4.372 3.226 1.00 0.00 C ATOM 59 CG PHE A 5 5.291 4.561 2.284 1.00 0.00 C ATOM 60 CD1 PHE A 5 6.396 3.704 2.357 1.00 0.00 C ATOM 61 CD2 PHE A 5 5.265 5.592 1.337 1.00 0.00 C ATOM 62 CE1 PHE A 5 7.476 3.879 1.485 1.00 0.00 C ATOM 63 CE2 PHE A 5 6.346 5.766 0.464 1.00 0.00 C ATOM 64 CZ PHE A 5 7.452 4.910 0.538 1.00 0.00 C ATOM 0 H PHE A 5 1.846 4.491 3.880 1.00 0.00 H new ATOM 0 HA PHE A 5 3.166 3.341 1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.621 5.323 3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.485 4.030 4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.415 2.908 3.087 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.412 6.252 1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.329 3.219 1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.327 6.561 -0.267 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.286 5.045 -0.135 1.00 0.00 H new ATOM 74 N TRP A 6 2.709 1.322 3.905 1.00 0.00 N ATOM 75 CA TRP A 6 3.042 -0.049 4.382 1.00 0.00 C ATOM 76 C TRP A 6 1.788 -0.759 4.897 1.00 0.00 C ATOM 77 O TRP A 6 1.745 -1.224 6.019 1.00 0.00 O ATOM 78 CB TRP A 6 4.034 0.179 5.522 1.00 0.00 C ATOM 79 CG TRP A 6 4.574 -1.128 6.002 1.00 0.00 C ATOM 80 CD1 TRP A 6 4.335 -1.668 7.219 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.443 -2.062 5.303 1.00 0.00 C ATOM 82 NE1 TRP A 6 5.004 -2.876 7.310 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.702 -3.162 6.154 1.00 0.00 C ATOM 84 CE3 TRP A 6 6.028 -2.060 4.026 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.512 -4.225 5.751 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.844 -3.128 3.616 1.00 0.00 C ATOM 87 CH2 TRP A 6 7.086 -4.208 4.477 1.00 0.00 C ATOM 0 H TRP A 6 1.831 1.706 4.256 1.00 0.00 H new ATOM 0 HA TRP A 6 3.451 -0.678 3.591 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.851 0.816 5.182 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.543 0.702 6.343 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.723 -1.229 7.993 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.984 -3.481 8.131 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.850 -1.233 3.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.694 -5.054 6.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 7.288 -3.117 2.631 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.715 -5.025 4.156 1.00 0.00 H new ATOM 98 N TRP A 7 0.774 -0.862 4.086 1.00 0.00 N ATOM 99 CA TRP A 7 -0.464 -1.561 4.535 1.00 0.00 C ATOM 100 C TRP A 7 -0.610 -2.858 3.746 1.00 0.00 C ATOM 101 O TRP A 7 0.167 -3.130 2.857 1.00 0.00 O ATOM 102 CB TRP A 7 -1.607 -0.593 4.231 1.00 0.00 C ATOM 103 CG TRP A 7 -1.825 0.300 5.411 1.00 0.00 C ATOM 104 CD1 TRP A 7 -0.944 0.473 6.423 1.00 0.00 C ATOM 105 CD2 TRP A 7 -2.977 1.138 5.726 1.00 0.00 C ATOM 106 NE1 TRP A 7 -1.479 1.363 7.337 1.00 0.00 N ATOM 107 CE2 TRP A 7 -2.731 1.801 6.952 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.198 1.385 5.072 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -3.663 2.677 7.509 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.138 2.266 5.631 1.00 0.00 C ATOM 111 CH2 TRP A 7 -4.870 2.911 6.847 1.00 0.00 C ATOM 0 H TRP A 7 0.747 -0.494 3.135 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.450 -1.823 5.593 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.370 0.002 3.349 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.518 -1.147 4.006 1.00 0.00 H new ATOM 0 HD1 TRP A 7 0.021 -0.006 6.504 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.007 1.660 8.191 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.414 0.894 4.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.452 3.171 8.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.073 2.448 5.121 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.597 3.588 7.271 1.00 0.00 H new ATOM 122 N LYS A 8 -1.584 -3.668 4.050 1.00 0.00 N ATOM 123 CA LYS A 8 -1.729 -4.941 3.284 1.00 0.00 C ATOM 124 C LYS A 8 -1.569 -4.652 1.793 1.00 0.00 C ATOM 125 O LYS A 8 -1.752 -3.538 1.346 1.00 0.00 O ATOM 126 CB LYS A 8 -3.136 -5.459 3.573 1.00 0.00 C ATOM 127 CG LYS A 8 -3.429 -5.378 5.074 1.00 0.00 C ATOM 128 CD LYS A 8 -3.830 -6.760 5.593 1.00 0.00 C ATOM 129 CE LYS A 8 -5.242 -7.100 5.110 1.00 0.00 C ATOM 130 NZ LYS A 8 -5.780 -8.038 6.135 1.00 0.00 N ATOM 0 H LYS A 8 -2.276 -3.510 4.782 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.977 -5.676 3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.869 -4.872 3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.230 -6.490 3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.549 -5.019 5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.229 -4.662 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.123 -7.511 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.794 -6.775 6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.859 -6.205 5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.222 -7.562 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.747 -8.318 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.176 -8.883 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.793 -7.568 7.063 1.00 0.00 H new ATOM 144 N CYS A 9 -1.223 -5.637 1.021 1.00 0.00 N ATOM 145 CA CYS A 9 -1.044 -5.400 -0.442 1.00 0.00 C ATOM 146 C CYS A 9 -1.456 -6.633 -1.247 1.00 0.00 C ATOM 147 O CYS A 9 -1.804 -7.661 -0.701 1.00 0.00 O ATOM 148 CB CYS A 9 0.449 -5.122 -0.617 1.00 0.00 C ATOM 149 SG CYS A 9 1.393 -6.611 -0.210 1.00 0.00 S ATOM 0 H CYS A 9 -1.056 -6.594 1.333 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.662 -4.576 -0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.655 -4.817 -1.643 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.754 -4.298 0.028 1.00 0.00 H new ATOM 154 N ASN A 10 -1.419 -6.533 -2.548 1.00 0.00 N ATOM 155 CA ASN A 10 -1.806 -7.692 -3.400 1.00 0.00 C ATOM 156 C ASN A 10 -1.024 -7.660 -4.718 1.00 0.00 C ATOM 157 O ASN A 10 -1.171 -6.746 -5.504 1.00 0.00 O ATOM 158 CB ASN A 10 -3.302 -7.512 -3.662 1.00 0.00 C ATOM 159 CG ASN A 10 -3.795 -8.626 -4.586 1.00 0.00 C ATOM 160 OD1 ASN A 10 -3.020 -9.219 -5.310 1.00 0.00 O ATOM 161 ND2 ASN A 10 -5.063 -8.939 -4.593 1.00 0.00 N ATOM 0 H ASN A 10 -1.137 -5.696 -3.058 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.589 -8.647 -2.922 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.852 -7.535 -2.721 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.488 -6.539 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.402 -9.681 -5.206 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.714 -8.442 -3.986 1.00 0.00 H new ATOM 168 N PRO A 11 -0.220 -8.670 -4.915 1.00 0.00 N ATOM 169 CA PRO A 11 0.595 -8.772 -6.154 1.00 0.00 C ATOM 170 C PRO A 11 -0.314 -9.002 -7.361 1.00 0.00 C ATOM 171 O PRO A 11 -0.054 -8.525 -8.449 1.00 0.00 O ATOM 172 CB PRO A 11 1.488 -9.984 -5.895 1.00 0.00 C ATOM 173 CG PRO A 11 0.742 -10.792 -4.883 1.00 0.00 C ATOM 174 CD PRO A 11 0.005 -9.806 -4.017 1.00 0.00 C ATOM 0 HA PRO A 11 1.169 -7.872 -6.373 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.659 -10.553 -6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.466 -9.683 -5.519 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.048 -11.478 -5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.426 -11.397 -4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.934 -10.219 -3.647 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.592 -9.519 -3.145 1.00 0.00 H new ATOM 182 N ASN A 12 -1.383 -9.721 -7.173 1.00 0.00 N ATOM 183 CA ASN A 12 -2.322 -9.977 -8.302 1.00 0.00 C ATOM 184 C ASN A 12 -3.226 -8.757 -8.502 1.00 0.00 C ATOM 185 O ASN A 12 -3.903 -8.626 -9.503 1.00 0.00 O ATOM 186 CB ASN A 12 -3.140 -11.194 -7.870 1.00 0.00 C ATOM 187 CG ASN A 12 -4.357 -11.345 -8.783 1.00 0.00 C ATOM 188 OD1 ASN A 12 -4.266 -11.927 -9.847 1.00 0.00 O ATOM 189 ND2 ASN A 12 -5.500 -10.839 -8.412 1.00 0.00 N ATOM 0 H ASN A 12 -1.649 -10.144 -6.284 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.808 -10.156 -9.246 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.525 -12.093 -7.915 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.461 -11.080 -6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.318 -10.931 -9.014 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.576 -10.351 -7.520 1.00 0.00 H new ATOM 196 N ASP A 13 -3.236 -7.862 -7.551 1.00 0.00 N ATOM 197 CA ASP A 13 -4.085 -6.643 -7.668 1.00 0.00 C ATOM 198 C ASP A 13 -3.598 -5.576 -6.682 1.00 0.00 C ATOM 199 O ASP A 13 -4.305 -5.181 -5.777 1.00 0.00 O ATOM 200 CB ASP A 13 -5.498 -7.107 -7.311 1.00 0.00 C ATOM 201 CG ASP A 13 -6.415 -6.937 -8.523 1.00 0.00 C ATOM 202 OD1 ASP A 13 -6.800 -5.812 -8.796 1.00 0.00 O ATOM 203 OD2 ASP A 13 -6.718 -7.934 -9.157 1.00 0.00 O ATOM 0 H ASP A 13 -2.688 -7.924 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.047 -6.200 -8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.481 -8.151 -6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.880 -6.529 -6.469 1.00 0.00 H new ATOM 208 N ASP A 14 -2.388 -5.118 -6.849 1.00 0.00 N ATOM 209 CA ASP A 14 -1.835 -4.086 -5.923 1.00 0.00 C ATOM 210 C ASP A 14 -2.881 -3.010 -5.620 1.00 0.00 C ATOM 211 O ASP A 14 -3.646 -2.614 -6.479 1.00 0.00 O ATOM 212 CB ASP A 14 -0.650 -3.480 -6.675 1.00 0.00 C ATOM 213 CG ASP A 14 -1.144 -2.843 -7.976 1.00 0.00 C ATOM 214 OD1 ASP A 14 -1.187 -3.543 -8.976 1.00 0.00 O ATOM 215 OD2 ASP A 14 -1.471 -1.669 -7.952 1.00 0.00 O ATOM 0 H ASP A 14 -1.754 -5.415 -7.591 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.543 -4.514 -4.964 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.157 -2.731 -6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.089 -4.251 -6.893 1.00 0.00 H new ATOM 220 N LYS A 15 -2.917 -2.531 -4.406 1.00 0.00 N ATOM 221 CA LYS A 15 -3.910 -1.476 -4.049 1.00 0.00 C ATOM 222 C LYS A 15 -3.227 -0.312 -3.324 1.00 0.00 C ATOM 223 O LYS A 15 -3.675 0.815 -3.389 1.00 0.00 O ATOM 224 CB LYS A 15 -4.912 -2.166 -3.123 1.00 0.00 C ATOM 225 CG LYS A 15 -6.037 -1.188 -2.774 1.00 0.00 C ATOM 226 CD LYS A 15 -7.379 -1.797 -3.178 1.00 0.00 C ATOM 227 CE LYS A 15 -7.638 -1.515 -4.658 1.00 0.00 C ATOM 228 NZ LYS A 15 -8.837 -2.328 -5.005 1.00 0.00 N ATOM 0 H LYS A 15 -2.303 -2.824 -3.646 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.390 -1.056 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.322 -3.052 -3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.413 -2.503 -2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.029 -0.973 -1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.884 -0.241 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.373 -2.872 -2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.180 -1.376 -2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.818 -0.454 -4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.780 -1.797 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.075 -2.185 -6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.635 -3.334 -4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.640 -2.033 -4.413 1.00 0.00 H new ATOM 242 N CYS A 16 -2.147 -0.571 -2.635 1.00 0.00 N ATOM 243 CA CYS A 16 -1.445 0.530 -1.908 1.00 0.00 C ATOM 244 C CYS A 16 -1.376 1.775 -2.790 1.00 0.00 C ATOM 245 O CYS A 16 -1.345 1.684 -4.001 1.00 0.00 O ATOM 246 CB CYS A 16 -0.034 0.003 -1.631 1.00 0.00 C ATOM 247 SG CYS A 16 0.855 1.195 -0.593 1.00 0.00 S ATOM 0 H CYS A 16 -1.721 -1.493 -2.544 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.962 0.806 -0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.086 -0.964 -1.132 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.500 -0.150 -2.569 1.00 0.00 H new ATOM 252 N CYS A 17 -1.344 2.938 -2.199 1.00 0.00 N ATOM 253 CA CYS A 17 -1.265 4.174 -3.023 1.00 0.00 C ATOM 254 C CYS A 17 -0.198 3.983 -4.105 1.00 0.00 C ATOM 255 O CYS A 17 0.548 3.026 -4.081 1.00 0.00 O ATOM 256 CB CYS A 17 -0.867 5.279 -2.042 1.00 0.00 C ATOM 257 SG CYS A 17 -2.076 5.355 -0.698 1.00 0.00 S ATOM 0 H CYS A 17 -1.369 3.084 -1.190 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.200 4.416 -3.528 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.127 5.083 -1.641 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.819 6.238 -2.558 1.00 0.00 H new ATOM 262 N ARG A 18 -0.113 4.872 -5.055 1.00 0.00 N ATOM 263 CA ARG A 18 0.917 4.695 -6.120 1.00 0.00 C ATOM 264 C ARG A 18 2.064 5.721 -6.020 1.00 0.00 C ATOM 265 O ARG A 18 2.671 6.035 -7.025 1.00 0.00 O ATOM 266 CB ARG A 18 0.167 4.866 -7.446 1.00 0.00 C ATOM 267 CG ARG A 18 -0.821 6.031 -7.344 1.00 0.00 C ATOM 268 CD ARG A 18 -2.196 5.497 -6.939 1.00 0.00 C ATOM 269 NE ARG A 18 -3.124 5.996 -7.990 1.00 0.00 N ATOM 270 CZ ARG A 18 -3.711 7.153 -7.842 1.00 0.00 C ATOM 271 NH1 ARG A 18 -3.038 8.169 -7.373 1.00 0.00 N ATOM 272 NH2 ARG A 18 -4.968 7.294 -8.160 1.00 0.00 N ATOM 0 H ARG A 18 -0.701 5.701 -5.142 1.00 0.00 H new ATOM 0 HA ARG A 18 1.392 3.719 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.876 5.050 -8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.366 3.948 -7.693 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.470 6.757 -6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.888 6.551 -8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.199 4.408 -6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.485 5.858 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.301 5.436 -8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.055 8.058 -7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.495 9.073 -7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.494 6.500 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.425 8.198 -8.044 1.00 0.00 H new ATOM 286 N PRO A 19 2.363 6.203 -4.832 1.00 0.00 N ATOM 287 CA PRO A 19 3.479 7.162 -4.692 1.00 0.00 C ATOM 288 C PRO A 19 4.818 6.412 -4.686 1.00 0.00 C ATOM 289 O PRO A 19 5.653 6.636 -3.836 1.00 0.00 O ATOM 290 CB PRO A 19 3.227 7.823 -3.343 1.00 0.00 C ATOM 291 CG PRO A 19 2.431 6.830 -2.559 1.00 0.00 C ATOM 292 CD PRO A 19 1.718 5.931 -3.541 1.00 0.00 C ATOM 0 HA PRO A 19 3.528 7.884 -5.507 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.165 8.060 -2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.682 8.760 -3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.083 6.245 -1.910 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.713 7.339 -1.916 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.818 4.882 -3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.651 6.151 -3.577 1.00 0.00 H new ATOM 300 N LYS A 20 5.019 5.530 -5.640 1.00 0.00 N ATOM 301 CA LYS A 20 6.297 4.748 -5.738 1.00 0.00 C ATOM 302 C LYS A 20 6.311 3.542 -4.776 1.00 0.00 C ATOM 303 O LYS A 20 7.353 3.142 -4.295 1.00 0.00 O ATOM 304 CB LYS A 20 7.429 5.754 -5.435 1.00 0.00 C ATOM 305 CG LYS A 20 7.950 5.597 -4.000 1.00 0.00 C ATOM 306 CD LYS A 20 8.380 6.964 -3.463 1.00 0.00 C ATOM 307 CE LYS A 20 9.710 7.370 -4.105 1.00 0.00 C ATOM 308 NZ LYS A 20 9.461 8.717 -4.690 1.00 0.00 N ATOM 0 H LYS A 20 4.338 5.315 -6.368 1.00 0.00 H new ATOM 0 HA LYS A 20 6.419 4.311 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.248 5.605 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.063 6.770 -5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.174 5.172 -3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.792 4.905 -3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.616 7.709 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.485 6.924 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.511 7.403 -3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.012 6.657 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.328 9.062 -5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.699 8.654 -5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.182 9.377 -3.936 1.00 0.00 H new ATOM 322 N LEU A 21 5.180 2.940 -4.512 1.00 0.00 N ATOM 323 CA LEU A 21 5.177 1.749 -3.604 1.00 0.00 C ATOM 324 C LEU A 21 4.686 0.509 -4.351 1.00 0.00 C ATOM 325 O LEU A 21 4.179 0.587 -5.452 1.00 0.00 O ATOM 326 CB LEU A 21 4.204 2.068 -2.471 1.00 0.00 C ATOM 327 CG LEU A 21 4.818 3.088 -1.512 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.789 4.171 -1.199 1.00 0.00 C ATOM 329 CD2 LEU A 21 5.214 2.383 -0.213 1.00 0.00 C ATOM 0 H LEU A 21 4.269 3.215 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 21 6.182 1.546 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.274 2.460 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.954 1.155 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 21 5.698 3.539 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.224 4.900 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.494 4.670 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.913 3.717 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.653 3.106 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.330 1.938 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.942 1.602 -0.430 1.00 0.00 H new ATOM 341 N LYS A 22 4.821 -0.633 -3.740 1.00 0.00 N ATOM 342 CA LYS A 22 4.355 -1.891 -4.377 1.00 0.00 C ATOM 343 C LYS A 22 4.242 -3.004 -3.325 1.00 0.00 C ATOM 344 O LYS A 22 5.082 -3.129 -2.458 1.00 0.00 O ATOM 345 CB LYS A 22 5.415 -2.233 -5.424 1.00 0.00 C ATOM 346 CG LYS A 22 4.739 -2.482 -6.774 1.00 0.00 C ATOM 347 CD LYS A 22 5.748 -2.258 -7.902 1.00 0.00 C ATOM 348 CE LYS A 22 5.614 -3.374 -8.938 1.00 0.00 C ATOM 349 NZ LYS A 22 6.823 -3.249 -9.799 1.00 0.00 N ATOM 0 H LYS A 22 5.239 -0.748 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 22 3.369 -1.784 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.133 -1.417 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.973 -3.117 -5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.352 -3.500 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.888 -1.812 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.575 -1.290 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.761 -2.241 -7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.569 -4.353 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.700 -3.263 -9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.802 -3.983 -10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.835 -2.310 -10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.677 -3.366 -9.217 1.00 0.00 H new ATOM 363 N CYS A 23 3.213 -3.809 -3.395 1.00 0.00 N ATOM 364 CA CYS A 23 3.048 -4.912 -2.395 1.00 0.00 C ATOM 365 C CYS A 23 4.402 -5.547 -2.045 1.00 0.00 C ATOM 366 O CYS A 23 5.299 -5.614 -2.859 1.00 0.00 O ATOM 367 CB CYS A 23 2.146 -5.944 -3.081 1.00 0.00 C ATOM 368 SG CYS A 23 1.931 -7.382 -2.001 1.00 0.00 S ATOM 0 H CYS A 23 2.479 -3.752 -4.101 1.00 0.00 H new ATOM 0 HA CYS A 23 2.624 -4.543 -1.461 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.177 -5.500 -3.308 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.586 -6.252 -4.029 1.00 0.00 H new ATOM 373 N SER A 24 4.542 -6.015 -0.832 1.00 0.00 N ATOM 374 CA SER A 24 5.821 -6.653 -0.402 1.00 0.00 C ATOM 375 C SER A 24 5.520 -7.916 0.417 1.00 0.00 C ATOM 376 O SER A 24 4.669 -7.914 1.291 1.00 0.00 O ATOM 377 CB SER A 24 6.518 -5.605 0.464 1.00 0.00 C ATOM 378 OG SER A 24 7.569 -5.006 -0.283 1.00 0.00 O ATOM 0 H SER A 24 3.818 -5.982 -0.115 1.00 0.00 H new ATOM 0 HA SER A 24 6.441 -6.955 -1.246 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.804 -4.846 0.783 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.916 -6.068 1.367 1.00 0.00 H new ATOM 0 HG SER A 24 8.394 -5.016 0.247 1.00 0.00 H new ATOM 384 N LYS A 25 6.206 -8.993 0.130 1.00 0.00 N ATOM 385 CA LYS A 25 5.962 -10.270 0.868 1.00 0.00 C ATOM 386 C LYS A 25 6.593 -10.232 2.263 1.00 0.00 C ATOM 387 O LYS A 25 6.088 -10.833 3.191 1.00 0.00 O ATOM 388 CB LYS A 25 6.626 -11.350 0.013 1.00 0.00 C ATOM 389 CG LYS A 25 5.555 -12.281 -0.559 1.00 0.00 C ATOM 390 CD LYS A 25 5.195 -13.343 0.482 1.00 0.00 C ATOM 391 CE LYS A 25 3.875 -14.015 0.094 1.00 0.00 C ATOM 392 NZ LYS A 25 3.406 -14.686 1.337 1.00 0.00 N ATOM 0 H LYS A 25 6.929 -9.043 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 25 4.898 -10.452 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.193 -10.890 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.334 -11.920 0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.668 -11.709 -0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.920 -12.757 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.989 -14.087 0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.106 -12.886 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.148 -13.283 -0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.020 -14.734 -0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.504 -15.170 1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.115 -15.382 1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.270 -13.976 2.085 1.00 0.00 H new ATOM 406 N LEU A 26 7.693 -9.545 2.418 1.00 0.00 N ATOM 407 CA LEU A 26 8.353 -9.484 3.758 1.00 0.00 C ATOM 408 C LEU A 26 7.303 -9.354 4.864 1.00 0.00 C ATOM 409 O LEU A 26 7.445 -9.908 5.935 1.00 0.00 O ATOM 410 CB LEU A 26 9.237 -8.239 3.709 1.00 0.00 C ATOM 411 CG LEU A 26 10.708 -8.654 3.637 1.00 0.00 C ATOM 412 CD1 LEU A 26 11.168 -9.130 5.016 1.00 0.00 C ATOM 413 CD2 LEU A 26 10.877 -9.790 2.624 1.00 0.00 C ATOM 0 H LEU A 26 8.163 -9.024 1.678 1.00 0.00 H new ATOM 0 HA LEU A 26 8.928 -10.384 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.978 -7.631 2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.065 -7.624 4.593 1.00 0.00 H new ATOM 0 HG LEU A 26 11.309 -7.800 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.216 -9.426 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.053 -8.321 5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.564 -9.982 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.926 -10.082 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.276 -10.645 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.549 -9.452 1.641 1.00 0.00 H new ATOM 425 N PHE A 27 6.247 -8.631 4.610 1.00 0.00 N ATOM 426 CA PHE A 27 5.189 -8.477 5.647 1.00 0.00 C ATOM 427 C PHE A 27 3.804 -8.522 5.006 1.00 0.00 C ATOM 428 O PHE A 27 2.805 -8.283 5.654 1.00 0.00 O ATOM 429 CB PHE A 27 5.418 -7.105 6.264 1.00 0.00 C ATOM 430 CG PHE A 27 6.467 -7.202 7.344 1.00 0.00 C ATOM 431 CD1 PHE A 27 7.821 -7.062 7.018 1.00 0.00 C ATOM 432 CD2 PHE A 27 6.087 -7.434 8.670 1.00 0.00 C ATOM 433 CE1 PHE A 27 8.794 -7.155 8.019 1.00 0.00 C ATOM 434 CE2 PHE A 27 7.060 -7.526 9.671 1.00 0.00 C ATOM 435 CZ PHE A 27 8.414 -7.387 9.346 1.00 0.00 C ATOM 0 H PHE A 27 6.072 -8.142 3.732 1.00 0.00 H new ATOM 0 HA PHE A 27 5.237 -9.277 6.386 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.736 -6.399 5.497 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.486 -6.723 6.682 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.114 -6.882 5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.042 -7.542 8.921 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.839 -7.048 7.768 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.766 -7.704 10.695 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.165 -7.459 10.119 1.00 0.00 H new ATOM 445 N LYS A 28 3.731 -8.821 3.739 1.00 0.00 N ATOM 446 CA LYS A 28 2.398 -8.870 3.068 1.00 0.00 C ATOM 447 C LYS A 28 1.835 -7.451 2.984 1.00 0.00 C ATOM 448 O LYS A 28 0.640 -7.243 2.870 1.00 0.00 O ATOM 449 CB LYS A 28 1.504 -9.749 3.958 1.00 0.00 C ATOM 450 CG LYS A 28 2.335 -10.835 4.657 1.00 0.00 C ATOM 451 CD LYS A 28 1.643 -12.189 4.501 1.00 0.00 C ATOM 452 CE LYS A 28 0.267 -12.132 5.166 1.00 0.00 C ATOM 453 NZ LYS A 28 -0.653 -12.814 4.215 1.00 0.00 N ATOM 0 H LYS A 28 4.530 -9.033 3.141 1.00 0.00 H new ATOM 0 HA LYS A 28 2.457 -9.274 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.004 -9.131 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.724 -10.213 3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.336 -10.875 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.452 -10.594 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.539 -12.438 3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.247 -12.974 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.276 -12.634 6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.042 -11.102 5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.617 -12.814 4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.647 -12.311 3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.338 -13.795 4.071 1.00 0.00 H new ATOM 467 N LEU A 29 2.699 -6.474 3.035 1.00 0.00 N ATOM 468 CA LEU A 29 2.239 -5.054 2.959 1.00 0.00 C ATOM 469 C LEU A 29 2.892 -4.372 1.763 1.00 0.00 C ATOM 470 O LEU A 29 3.743 -4.935 1.114 1.00 0.00 O ATOM 471 CB LEU A 29 2.697 -4.394 4.265 1.00 0.00 C ATOM 472 CG LEU A 29 2.537 -5.377 5.428 1.00 0.00 C ATOM 473 CD1 LEU A 29 3.003 -4.718 6.728 1.00 0.00 C ATOM 474 CD2 LEU A 29 1.064 -5.773 5.554 1.00 0.00 C ATOM 0 H LEU A 29 3.707 -6.597 3.126 1.00 0.00 H new ATOM 0 HA LEU A 29 1.159 -4.979 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.738 -4.083 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.111 -3.495 4.454 1.00 0.00 H new ATOM 0 HG LEU A 29 3.141 -6.265 5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.888 -5.420 7.554 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.051 -4.434 6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.402 -3.829 6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.945 -6.473 6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.463 -4.883 5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.734 -6.245 4.629 1.00 0.00 H new ATOM 486 N CYS A 30 2.498 -3.171 1.457 1.00 0.00 N ATOM 487 CA CYS A 30 3.098 -2.478 0.289 1.00 0.00 C ATOM 488 C CYS A 30 4.356 -1.702 0.691 1.00 0.00 C ATOM 489 O CYS A 30 4.352 -0.912 1.615 1.00 0.00 O ATOM 490 CB CYS A 30 1.984 -1.559 -0.223 1.00 0.00 C ATOM 491 SG CYS A 30 2.005 0.048 0.607 1.00 0.00 S ATOM 0 H CYS A 30 1.789 -2.641 1.963 1.00 0.00 H new ATOM 0 HA CYS A 30 3.433 -3.170 -0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.097 -1.415 -1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.017 -2.037 -0.065 1.00 0.00 H new ATOM 496 N ASN A 31 5.435 -1.930 -0.005 1.00 0.00 N ATOM 497 CA ASN A 31 6.707 -1.222 0.311 1.00 0.00 C ATOM 498 C ASN A 31 7.059 -0.253 -0.820 1.00 0.00 C ATOM 499 O ASN A 31 6.196 0.355 -1.419 1.00 0.00 O ATOM 500 CB ASN A 31 7.759 -2.326 0.409 1.00 0.00 C ATOM 501 CG ASN A 31 8.887 -1.882 1.343 1.00 0.00 C ATOM 502 OD1 ASN A 31 9.014 -0.713 1.650 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.719 -2.772 1.812 1.00 0.00 N ATOM 0 H ASN A 31 5.490 -2.583 -0.787 1.00 0.00 H new ATOM 0 HA ASN A 31 6.640 -0.638 1.229 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.304 -3.243 0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.159 -2.549 -0.580 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.474 -2.486 2.435 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.614 -3.754 1.555 1.00 0.00 H new