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+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.284 F(o=-1.2,f=-0.28) USER MOD Single : A 12 ASN :FLIP amide:sc= 0 F(o=-0.69,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 70:sc= -1.35 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= -0.0747 K(o=-0.075,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 10 N CYS A 2 -6.008 5.369 -1.753 1.00 0.00 N ATOM 11 CA CYS A 2 -5.201 4.120 -1.626 1.00 0.00 C ATOM 12 C CYS A 2 -4.976 3.772 -0.151 1.00 0.00 C ATOM 13 O CYS A 2 -5.567 4.360 0.734 1.00 0.00 O ATOM 14 CB CYS A 2 -3.869 4.437 -2.310 1.00 0.00 C ATOM 15 SG CYS A 2 -3.253 6.038 -1.730 1.00 0.00 S ATOM 0 HA CYS A 2 -5.701 3.263 -2.078 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.141 3.655 -2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.000 4.457 -3.392 1.00 0.00 H new ATOM 20 N LEU A 3 -4.127 2.816 0.117 1.00 0.00 N ATOM 21 CA LEU A 3 -3.861 2.421 1.529 1.00 0.00 C ATOM 22 C LEU A 3 -2.730 3.279 2.114 1.00 0.00 C ATOM 23 O LEU A 3 -2.706 4.482 1.948 1.00 0.00 O ATOM 24 CB LEU A 3 -3.450 0.951 1.449 1.00 0.00 C ATOM 25 CG LEU A 3 -4.611 0.124 0.889 1.00 0.00 C ATOM 26 CD1 LEU A 3 -4.135 -1.303 0.604 1.00 0.00 C ATOM 27 CD2 LEU A 3 -5.750 0.081 1.910 1.00 0.00 C ATOM 0 H LEU A 3 -3.605 2.290 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.726 2.565 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.572 0.842 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.174 0.586 2.438 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.965 0.582 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.963 -1.890 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.325 -1.278 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.779 -1.759 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.575 -0.508 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.394 -0.375 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.094 1.095 2.115 1.00 0.00 H new ATOM 39 N GLU A 4 -1.794 2.676 2.800 1.00 0.00 N ATOM 40 CA GLU A 4 -0.678 3.469 3.389 1.00 0.00 C ATOM 41 C GLU A 4 0.666 3.009 2.821 1.00 0.00 C ATOM 42 O GLU A 4 0.733 2.337 1.811 1.00 0.00 O ATOM 43 CB GLU A 4 -0.750 3.205 4.892 1.00 0.00 C ATOM 44 CG GLU A 4 -1.024 4.523 5.625 1.00 0.00 C ATOM 45 CD GLU A 4 0.162 4.871 6.529 1.00 0.00 C ATOM 46 OE1 GLU A 4 1.130 4.128 6.521 1.00 0.00 O ATOM 47 OE2 GLU A 4 0.082 5.878 7.215 1.00 0.00 O ATOM 0 H GLU A 4 -1.755 1.672 2.977 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.765 4.531 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.538 2.484 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.186 2.769 5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.190 5.323 4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.933 4.437 6.220 1.00 0.00 H new ATOM 54 N PHE A 5 1.736 3.385 3.460 1.00 0.00 N ATOM 55 CA PHE A 5 3.088 2.994 2.964 1.00 0.00 C ATOM 56 C PHE A 5 3.441 1.564 3.411 1.00 0.00 C ATOM 57 O PHE A 5 4.509 1.065 3.118 1.00 0.00 O ATOM 58 CB PHE A 5 4.032 4.046 3.582 1.00 0.00 C ATOM 59 CG PHE A 5 5.311 3.408 4.080 1.00 0.00 C ATOM 60 CD1 PHE A 5 5.328 2.744 5.312 1.00 0.00 C ATOM 61 CD2 PHE A 5 6.477 3.484 3.308 1.00 0.00 C ATOM 62 CE1 PHE A 5 6.510 2.156 5.775 1.00 0.00 C ATOM 63 CE2 PHE A 5 7.661 2.896 3.772 1.00 0.00 C ATOM 64 CZ PHE A 5 7.677 2.232 5.004 1.00 0.00 C ATOM 0 H PHE A 5 1.735 3.950 4.310 1.00 0.00 H new ATOM 0 HA PHE A 5 3.157 2.978 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.268 4.808 2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.529 4.550 4.407 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.428 2.686 5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.464 3.995 2.357 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.523 1.644 6.726 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.562 2.955 3.179 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.590 1.778 5.360 1.00 0.00 H new ATOM 74 N TRP A 6 2.564 0.905 4.120 1.00 0.00 N ATOM 75 CA TRP A 6 2.873 -0.485 4.580 1.00 0.00 C ATOM 76 C TRP A 6 1.587 -1.220 4.965 1.00 0.00 C ATOM 77 O TRP A 6 1.495 -1.818 6.019 1.00 0.00 O ATOM 78 CB TRP A 6 3.768 -0.287 5.805 1.00 0.00 C ATOM 79 CG TRP A 6 4.314 -1.602 6.263 1.00 0.00 C ATOM 80 CD1 TRP A 6 4.156 -2.111 7.507 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.105 -2.576 5.520 1.00 0.00 C ATOM 82 NE1 TRP A 6 4.796 -3.333 7.575 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.396 -3.665 6.377 1.00 0.00 C ATOM 84 CE3 TRP A 6 5.592 -2.623 4.202 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.143 -4.759 5.943 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.345 -3.724 3.761 1.00 0.00 C ATOM 87 CH2 TRP A 6 6.619 -4.789 4.631 1.00 0.00 C ATOM 0 H TRP A 6 1.651 1.264 4.401 1.00 0.00 H new ATOM 0 HA TRP A 6 3.352 -1.085 3.807 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.587 0.390 5.561 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.198 0.179 6.609 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.617 -1.639 8.315 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.822 -3.919 8.409 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.386 -1.808 3.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.352 -5.577 6.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 6.715 -3.750 2.747 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.198 -5.633 4.286 1.00 0.00 H new ATOM 98 N TRP A 7 0.599 -1.194 4.115 1.00 0.00 N ATOM 99 CA TRP A 7 -0.672 -1.905 4.432 1.00 0.00 C ATOM 100 C TRP A 7 -0.777 -3.157 3.565 1.00 0.00 C ATOM 101 O TRP A 7 -0.041 -3.310 2.612 1.00 0.00 O ATOM 102 CB TRP A 7 -1.783 -0.914 4.087 1.00 0.00 C ATOM 103 CG TRP A 7 -2.072 -0.054 5.277 1.00 0.00 C ATOM 104 CD1 TRP A 7 -1.290 0.040 6.377 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.207 0.832 5.505 1.00 0.00 C ATOM 106 NE1 TRP A 7 -1.872 0.926 7.266 1.00 0.00 N ATOM 107 CE2 TRP A 7 -3.054 1.440 6.774 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.342 1.162 4.744 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -3.995 2.344 7.270 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.291 2.071 5.239 1.00 0.00 C ATOM 111 CH2 TRP A 7 -5.118 2.661 6.499 1.00 0.00 C ATOM 0 H TRP A 7 0.616 -0.712 3.216 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.731 -2.221 5.474 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.483 -0.295 3.242 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.683 -1.450 3.786 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.363 -0.490 6.535 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.476 1.169 8.174 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.485 0.713 3.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.857 2.795 8.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.159 2.317 4.646 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.851 3.360 6.874 1.00 0.00 H new ATOM 122 N LYS A 8 -1.670 -4.058 3.885 1.00 0.00 N ATOM 123 CA LYS A 8 -1.793 -5.300 3.061 1.00 0.00 C ATOM 124 C LYS A 8 -1.626 -4.969 1.583 1.00 0.00 C ATOM 125 O LYS A 8 -1.903 -3.869 1.146 1.00 0.00 O ATOM 126 CB LYS A 8 -3.194 -5.873 3.310 1.00 0.00 C ATOM 127 CG LYS A 8 -4.172 -4.774 3.743 1.00 0.00 C ATOM 128 CD LYS A 8 -5.576 -5.106 3.229 1.00 0.00 C ATOM 129 CE LYS A 8 -6.517 -5.328 4.415 1.00 0.00 C ATOM 130 NZ LYS A 8 -6.764 -6.797 4.442 1.00 0.00 N ATOM 0 H LYS A 8 -2.314 -3.990 4.673 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.022 -6.020 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.560 -6.353 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.144 -6.643 4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.182 -4.689 4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.849 -3.810 3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.947 -4.294 2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.544 -5.999 2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.065 -4.987 5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.447 -4.774 4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.402 -7.027 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.201 -7.092 3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.862 -7.298 4.569 1.00 0.00 H new ATOM 144 N CYS A 9 -1.164 -5.905 0.813 1.00 0.00 N ATOM 145 CA CYS A 9 -0.968 -5.628 -0.638 1.00 0.00 C ATOM 146 C CYS A 9 -1.169 -6.893 -1.472 1.00 0.00 C ATOM 147 O CYS A 9 -1.122 -7.998 -0.969 1.00 0.00 O ATOM 148 CB CYS A 9 0.476 -5.145 -0.747 1.00 0.00 C ATOM 149 SG CYS A 9 1.591 -6.481 -0.252 1.00 0.00 S ATOM 0 H CYS A 9 -0.914 -6.846 1.118 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.684 -4.897 -1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.692 -4.835 -1.770 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.629 -4.273 -0.111 1.00 0.00 H new ATOM 154 N ASN A 10 -1.382 -6.731 -2.747 1.00 0.00 N ATOM 155 CA ASN A 10 -1.577 -7.912 -3.630 1.00 0.00 C ATOM 156 C ASN A 10 -1.015 -7.616 -5.024 1.00 0.00 C ATOM 157 O ASN A 10 -1.400 -6.653 -5.656 1.00 0.00 O ATOM 158 CB ASN A 10 -3.091 -8.119 -3.696 1.00 0.00 C ATOM 159 CG ASN A 10 -3.389 -9.596 -3.961 1.00 0.00 C ATOM 160 OD1 ASN A 10 -4.097 -9.930 -5.005 1.00 0.00 O flip ATOM 161 ND2 ASN A 10 -2.970 -10.455 -3.212 1.00 0.00 N flip ATOM 0 H ASN A 10 -1.430 -5.827 -3.217 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.065 -8.799 -3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.554 -7.805 -2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.520 -7.502 -4.486 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.417 -10.194 -2.396 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.171 -11.437 -3.399 1.00 0.00 H new ATOM 168 N PRO A 11 -0.120 -8.462 -5.456 1.00 0.00 N ATOM 169 CA PRO A 11 0.508 -8.296 -6.792 1.00 0.00 C ATOM 170 C PRO A 11 -0.536 -8.458 -7.901 1.00 0.00 C ATOM 171 O PRO A 11 -0.287 -8.156 -9.051 1.00 0.00 O ATOM 172 CB PRO A 11 1.552 -9.413 -6.834 1.00 0.00 C ATOM 173 CG PRO A 11 1.055 -10.425 -5.855 1.00 0.00 C ATOM 174 CD PRO A 11 0.386 -9.645 -4.758 1.00 0.00 C ATOM 0 HA PRO A 11 0.947 -7.310 -6.946 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.639 -9.838 -7.834 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.540 -9.044 -6.557 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.355 -11.114 -6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.876 -11.025 -5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.419 -10.213 -4.292 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.087 -9.378 -3.967 1.00 0.00 H new ATOM 182 N ASN A 12 -1.710 -8.915 -7.560 1.00 0.00 N ATOM 183 CA ASN A 12 -2.775 -9.076 -8.591 1.00 0.00 C ATOM 184 C ASN A 12 -3.609 -7.797 -8.665 1.00 0.00 C ATOM 185 O ASN A 12 -3.940 -7.314 -9.730 1.00 0.00 O ATOM 186 CB ASN A 12 -3.628 -10.246 -8.103 1.00 0.00 C ATOM 187 CG ASN A 12 -4.284 -10.933 -9.302 1.00 0.00 C ATOM 188 OD1 ASN A 12 -4.589 -10.230 -10.359 1.00 0.00 O flip ATOM 189 ND2 ASN A 12 -4.521 -12.124 -9.278 1.00 0.00 N flip ATOM 0 H ASN A 12 -1.978 -9.184 -6.613 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.372 -9.261 -9.587 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.010 -10.958 -7.556 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.392 -9.890 -7.412 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.283 -12.675 -8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.958 -12.573 -10.083 1.00 0.00 H new ATOM 196 N ASP A 13 -3.944 -7.244 -7.532 1.00 0.00 N ATOM 197 CA ASP A 13 -4.747 -5.990 -7.514 1.00 0.00 C ATOM 198 C ASP A 13 -4.362 -5.155 -6.292 1.00 0.00 C ATOM 199 O ASP A 13 -5.203 -4.704 -5.539 1.00 0.00 O ATOM 200 CB ASP A 13 -6.203 -6.447 -7.422 1.00 0.00 C ATOM 201 CG ASP A 13 -7.072 -5.575 -8.331 1.00 0.00 C ATOM 202 OD1 ASP A 13 -6.630 -4.491 -8.676 1.00 0.00 O ATOM 203 OD2 ASP A 13 -8.165 -6.005 -8.665 1.00 0.00 O ATOM 0 H ASP A 13 -3.694 -7.609 -6.613 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.579 -5.371 -8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.286 -7.493 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.552 -6.377 -6.392 1.00 0.00 H new ATOM 208 N ASP A 14 -3.090 -4.957 -6.092 1.00 0.00 N ATOM 209 CA ASP A 14 -2.627 -4.159 -4.921 1.00 0.00 C ATOM 210 C ASP A 14 -3.412 -2.850 -4.826 1.00 0.00 C ATOM 211 O ASP A 14 -3.875 -2.319 -5.816 1.00 0.00 O ATOM 212 CB ASP A 14 -1.149 -3.881 -5.196 1.00 0.00 C ATOM 213 CG ASP A 14 -0.633 -2.839 -4.202 1.00 0.00 C ATOM 214 OD1 ASP A 14 -1.082 -1.707 -4.274 1.00 0.00 O ATOM 215 OD2 ASP A 14 0.204 -3.190 -3.386 1.00 0.00 O ATOM 0 H ASP A 14 -2.346 -5.315 -6.692 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.776 -4.684 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.572 -4.801 -5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.019 -3.521 -6.217 1.00 0.00 H new ATOM 220 N LYS A 15 -3.567 -2.324 -3.641 1.00 0.00 N ATOM 221 CA LYS A 15 -4.325 -1.050 -3.491 1.00 0.00 C ATOM 222 C LYS A 15 -3.437 0.031 -2.871 1.00 0.00 C ATOM 223 O LYS A 15 -3.826 1.178 -2.772 1.00 0.00 O ATOM 224 CB LYS A 15 -5.494 -1.385 -2.563 1.00 0.00 C ATOM 225 CG LYS A 15 -6.565 -0.296 -2.679 1.00 0.00 C ATOM 226 CD LYS A 15 -7.747 -0.824 -3.495 1.00 0.00 C ATOM 227 CE LYS A 15 -8.066 0.156 -4.628 1.00 0.00 C ATOM 228 NZ LYS A 15 -8.446 -0.704 -5.784 1.00 0.00 N ATOM 0 H LYS A 15 -3.203 -2.720 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.667 -0.663 -4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.916 -2.355 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.145 -1.459 -1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.901 0.005 -1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.147 0.590 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.509 -1.805 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.619 -0.950 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.878 0.828 -4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.204 0.779 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.679 -0.104 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.651 -1.328 -6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.274 -1.281 -5.530 1.00 0.00 H new ATOM 242 N CYS A 16 -2.246 -0.314 -2.452 1.00 0.00 N ATOM 243 CA CYS A 16 -1.357 0.718 -1.845 1.00 0.00 C ATOM 244 C CYS A 16 -1.206 1.899 -2.798 1.00 0.00 C ATOM 245 O CYS A 16 -1.217 1.741 -4.003 1.00 0.00 O ATOM 246 CB CYS A 16 0.005 0.045 -1.642 1.00 0.00 C ATOM 247 SG CYS A 16 1.062 1.151 -0.667 1.00 0.00 S ATOM 0 H CYS A 16 -1.855 -1.255 -2.503 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.766 1.091 -0.906 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.118 -0.909 -1.129 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.468 -0.168 -2.605 1.00 0.00 H new ATOM 252 N CYS A 17 -1.051 3.081 -2.273 1.00 0.00 N ATOM 253 CA CYS A 17 -0.881 4.261 -3.163 1.00 0.00 C ATOM 254 C CYS A 17 0.135 3.914 -4.250 1.00 0.00 C ATOM 255 O CYS A 17 0.992 3.076 -4.056 1.00 0.00 O ATOM 256 CB CYS A 17 -0.350 5.371 -2.256 1.00 0.00 C ATOM 257 SG CYS A 17 -1.481 5.609 -0.862 1.00 0.00 S ATOM 0 H CYS A 17 -1.035 3.280 -1.273 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.805 4.563 -3.657 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.644 5.112 -1.891 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.251 6.299 -2.819 1.00 0.00 H new ATOM 262 N ARG A 18 0.054 4.532 -5.394 1.00 0.00 N ATOM 263 CA ARG A 18 1.034 4.193 -6.467 1.00 0.00 C ATOM 264 C ARG A 18 1.996 5.357 -6.780 1.00 0.00 C ATOM 265 O ARG A 18 2.450 5.475 -7.900 1.00 0.00 O ATOM 266 CB ARG A 18 0.187 3.853 -7.697 1.00 0.00 C ATOM 267 CG ARG A 18 -0.990 4.826 -7.813 1.00 0.00 C ATOM 268 CD ARG A 18 -2.220 4.225 -7.126 1.00 0.00 C ATOM 269 NE ARG A 18 -2.482 2.950 -7.850 1.00 0.00 N ATOM 270 CZ ARG A 18 -3.080 1.964 -7.238 1.00 0.00 C ATOM 271 NH1 ARG A 18 -3.700 2.178 -6.110 1.00 0.00 N ATOM 272 NH2 ARG A 18 -3.059 0.766 -7.754 1.00 0.00 N ATOM 0 H ARG A 18 -0.635 5.245 -5.633 1.00 0.00 H new ATOM 0 HA ARG A 18 1.672 3.366 -6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.801 3.905 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.183 2.830 -7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.733 5.780 -7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.208 5.026 -8.862 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.033 4.046 -6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.075 4.898 -7.189 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.194 2.847 -8.823 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.717 3.115 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.168 1.408 -5.631 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.575 0.599 -8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.526 -0.004 -7.275 1.00 0.00 H new ATOM 286 N PRO A 19 2.307 6.170 -5.793 1.00 0.00 N ATOM 287 CA PRO A 19 3.252 7.286 -6.029 1.00 0.00 C ATOM 288 C PRO A 19 4.681 6.740 -6.055 1.00 0.00 C ATOM 289 O PRO A 19 5.564 7.296 -6.678 1.00 0.00 O ATOM 290 CB PRO A 19 3.049 8.197 -4.825 1.00 0.00 C ATOM 291 CG PRO A 19 2.533 7.305 -3.741 1.00 0.00 C ATOM 292 CD PRO A 19 1.829 6.146 -4.403 1.00 0.00 C ATOM 0 HA PRO A 19 3.087 7.805 -6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.984 8.675 -4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.341 8.994 -5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.352 6.949 -3.115 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.848 7.849 -3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.074 5.202 -3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.746 6.259 -4.354 1.00 0.00 H new ATOM 300 N LYS A 20 4.907 5.647 -5.379 1.00 0.00 N ATOM 301 CA LYS A 20 6.269 5.044 -5.351 1.00 0.00 C ATOM 302 C LYS A 20 6.288 3.838 -4.406 1.00 0.00 C ATOM 303 O LYS A 20 7.284 3.553 -3.770 1.00 0.00 O ATOM 304 CB LYS A 20 7.187 6.154 -4.830 1.00 0.00 C ATOM 305 CG LYS A 20 8.101 6.634 -5.960 1.00 0.00 C ATOM 306 CD LYS A 20 9.371 5.782 -5.988 1.00 0.00 C ATOM 307 CE LYS A 20 10.288 6.265 -7.115 1.00 0.00 C ATOM 308 NZ LYS A 20 11.636 5.741 -6.762 1.00 0.00 N ATOM 0 H LYS A 20 4.202 5.143 -4.842 1.00 0.00 H new ATOM 0 HA LYS A 20 6.585 4.686 -6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.592 6.985 -4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.785 5.785 -3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.582 6.563 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.358 7.683 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.888 5.850 -5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.114 4.733 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.958 5.887 -8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.292 7.353 -7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.322 6.030 -7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.926 6.123 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.603 4.703 -6.712 1.00 0.00 H new ATOM 322 N LEU A 21 5.195 3.126 -4.308 1.00 0.00 N ATOM 323 CA LEU A 21 5.159 1.940 -3.401 1.00 0.00 C ATOM 324 C LEU A 21 4.724 0.692 -4.170 1.00 0.00 C ATOM 325 O LEU A 21 4.198 0.771 -5.263 1.00 0.00 O ATOM 326 CB LEU A 21 4.114 2.272 -2.334 1.00 0.00 C ATOM 327 CG LEU A 21 4.422 3.633 -1.711 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.110 4.350 -1.385 1.00 0.00 C ATOM 329 CD2 LEU A 21 5.223 3.433 -0.423 1.00 0.00 C ATOM 0 H LEU A 21 4.330 3.313 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 21 6.140 1.737 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.119 2.282 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.111 1.502 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 21 5.002 4.232 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.327 5.321 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.535 4.490 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.532 3.750 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.444 4.403 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.641 2.835 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.156 2.918 -0.651 1.00 0.00 H new ATOM 341 N LYS A 22 4.924 -0.459 -3.593 1.00 0.00 N ATOM 342 CA LYS A 22 4.512 -1.718 -4.261 1.00 0.00 C ATOM 343 C LYS A 22 4.423 -2.846 -3.231 1.00 0.00 C ATOM 344 O LYS A 22 5.247 -2.952 -2.346 1.00 0.00 O ATOM 345 CB LYS A 22 5.602 -2.008 -5.294 1.00 0.00 C ATOM 346 CG LYS A 22 4.959 -2.457 -6.608 1.00 0.00 C ATOM 347 CD LYS A 22 5.734 -3.651 -7.174 1.00 0.00 C ATOM 348 CE LYS A 22 6.343 -3.270 -8.527 1.00 0.00 C ATOM 349 NZ LYS A 22 7.805 -3.143 -8.270 1.00 0.00 N ATOM 0 H LYS A 22 5.360 -0.580 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 22 3.532 -1.636 -4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.206 -1.116 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.272 -2.783 -4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.918 -2.732 -6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.960 -1.636 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.520 -3.950 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.070 -4.507 -7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.139 -4.031 -9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.925 -2.334 -8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.291 -2.883 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.969 -2.406 -7.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.177 -4.051 -7.924 1.00 0.00 H new ATOM 363 N CYS A 23 3.425 -3.680 -3.338 1.00 0.00 N ATOM 364 CA CYS A 23 3.272 -4.801 -2.363 1.00 0.00 C ATOM 365 C CYS A 23 4.636 -5.392 -1.984 1.00 0.00 C ATOM 366 O CYS A 23 5.550 -5.440 -2.782 1.00 0.00 O ATOM 367 CB CYS A 23 2.428 -5.855 -3.085 1.00 0.00 C ATOM 368 SG CYS A 23 2.203 -7.286 -2.000 1.00 0.00 S ATOM 0 H CYS A 23 2.706 -3.634 -4.060 1.00 0.00 H new ATOM 0 HA CYS A 23 2.808 -4.460 -1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.460 -5.437 -3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.918 -6.159 -4.010 1.00 0.00 H new ATOM 373 N SER A 24 4.765 -5.847 -0.771 1.00 0.00 N ATOM 374 CA SER A 24 6.049 -6.448 -0.317 1.00 0.00 C ATOM 375 C SER A 24 5.771 -7.801 0.345 1.00 0.00 C ATOM 376 O SER A 24 5.087 -7.882 1.355 1.00 0.00 O ATOM 377 CB SER A 24 6.625 -5.458 0.696 1.00 0.00 C ATOM 378 OG SER A 24 7.772 -4.831 0.140 1.00 0.00 O ATOM 0 H SER A 24 4.028 -5.828 -0.066 1.00 0.00 H new ATOM 0 HA SER A 24 6.743 -6.623 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.877 -4.709 0.956 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.890 -5.976 1.618 1.00 0.00 H new ATOM 0 HG SER A 24 7.497 -4.228 -0.582 1.00 0.00 H new ATOM 384 N LYS A 25 6.285 -8.861 -0.225 1.00 0.00 N ATOM 385 CA LYS A 25 6.049 -10.217 0.350 1.00 0.00 C ATOM 386 C LYS A 25 6.755 -10.358 1.697 1.00 0.00 C ATOM 387 O LYS A 25 6.356 -11.142 2.535 1.00 0.00 O ATOM 388 CB LYS A 25 6.644 -11.191 -0.670 1.00 0.00 C ATOM 389 CG LYS A 25 8.161 -11.005 -0.736 1.00 0.00 C ATOM 390 CD LYS A 25 8.607 -10.977 -2.199 1.00 0.00 C ATOM 391 CE LYS A 25 9.836 -10.077 -2.340 1.00 0.00 C ATOM 392 NZ LYS A 25 10.997 -10.960 -2.034 1.00 0.00 N ATOM 0 H LYS A 25 6.860 -8.844 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 25 4.990 -10.406 0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.406 -12.217 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.204 -11.018 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.447 -10.078 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.661 -11.817 -0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.841 -11.986 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.798 -10.608 -2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.909 -9.663 -3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.789 -9.234 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.878 -10.413 -2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.904 -11.334 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.020 -11.750 -2.710 1.00 0.00 H new ATOM 406 N LEU A 26 7.799 -9.607 1.912 1.00 0.00 N ATOM 407 CA LEU A 26 8.528 -9.699 3.209 1.00 0.00 C ATOM 408 C LEU A 26 7.528 -9.811 4.363 1.00 0.00 C ATOM 409 O LEU A 26 7.728 -10.553 5.302 1.00 0.00 O ATOM 410 CB LEU A 26 9.323 -8.399 3.310 1.00 0.00 C ATOM 411 CG LEU A 26 10.771 -8.651 2.885 1.00 0.00 C ATOM 412 CD1 LEU A 26 11.440 -9.593 3.887 1.00 0.00 C ATOM 413 CD2 LEU A 26 10.788 -9.291 1.495 1.00 0.00 C ATOM 0 H LEU A 26 8.179 -8.934 1.247 1.00 0.00 H new ATOM 0 HA LEU A 26 9.176 -10.574 3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.874 -7.636 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.293 -8.021 4.332 1.00 0.00 H new ATOM 0 HG LEU A 26 11.312 -7.705 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.472 -9.773 3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.426 -9.139 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.900 -10.539 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.819 -9.471 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.247 -10.237 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.310 -8.621 0.780 1.00 0.00 H new ATOM 425 N PHE A 27 6.446 -9.081 4.292 1.00 0.00 N ATOM 426 CA PHE A 27 5.429 -9.149 5.381 1.00 0.00 C ATOM 427 C PHE A 27 4.012 -9.061 4.806 1.00 0.00 C ATOM 428 O PHE A 27 3.047 -8.980 5.538 1.00 0.00 O ATOM 429 CB PHE A 27 5.704 -7.940 6.260 1.00 0.00 C ATOM 430 CG PHE A 27 6.801 -8.271 7.241 1.00 0.00 C ATOM 431 CD1 PHE A 27 6.647 -9.341 8.129 1.00 0.00 C ATOM 432 CD2 PHE A 27 7.974 -7.509 7.259 1.00 0.00 C ATOM 433 CE1 PHE A 27 7.667 -9.648 9.037 1.00 0.00 C ATOM 434 CE2 PHE A 27 8.995 -7.817 8.165 1.00 0.00 C ATOM 435 CZ PHE A 27 8.841 -8.887 9.055 1.00 0.00 C ATOM 0 H PHE A 27 6.223 -8.442 3.529 1.00 0.00 H new ATOM 0 HA PHE A 27 5.494 -10.087 5.932 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.996 -7.089 5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.799 -7.652 6.794 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.742 -9.930 8.114 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.092 -6.683 6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.548 -10.473 9.724 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.901 -7.230 8.178 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.628 -9.125 9.755 1.00 0.00 H new ATOM 445 N LYS A 28 3.881 -9.079 3.503 1.00 0.00 N ATOM 446 CA LYS A 28 2.526 -9.003 2.863 1.00 0.00 C ATOM 447 C LYS A 28 1.983 -7.565 2.885 1.00 0.00 C ATOM 448 O LYS A 28 0.796 -7.340 2.728 1.00 0.00 O ATOM 449 CB LYS A 28 1.609 -9.930 3.675 1.00 0.00 C ATOM 450 CG LYS A 28 2.381 -11.173 4.129 1.00 0.00 C ATOM 451 CD LYS A 28 1.570 -12.429 3.798 1.00 0.00 C ATOM 452 CE LYS A 28 2.472 -13.465 3.126 1.00 0.00 C ATOM 453 NZ LYS A 28 1.915 -14.784 3.538 1.00 0.00 N ATOM 0 H LYS A 28 4.660 -9.144 2.848 1.00 0.00 H new ATOM 0 HA LYS A 28 2.577 -9.306 1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.219 -9.398 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.752 -10.226 3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.351 -11.213 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.573 -11.123 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.138 -12.845 4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.740 -12.174 3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.462 -13.353 2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.508 -13.355 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.481 -15.547 3.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.943 -14.864 4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.931 -14.862 3.212 1.00 0.00 H new ATOM 467 N LEU A 29 2.838 -6.588 3.047 1.00 0.00 N ATOM 468 CA LEU A 29 2.350 -5.171 3.044 1.00 0.00 C ATOM 469 C LEU A 29 2.975 -4.429 1.871 1.00 0.00 C ATOM 470 O LEU A 29 3.843 -4.942 1.207 1.00 0.00 O ATOM 471 CB LEU A 29 2.801 -4.531 4.364 1.00 0.00 C ATOM 472 CG LEU A 29 2.155 -5.237 5.566 1.00 0.00 C ATOM 473 CD1 LEU A 29 0.742 -5.711 5.211 1.00 0.00 C ATOM 474 CD2 LEU A 29 3.008 -6.436 5.978 1.00 0.00 C ATOM 0 H LEU A 29 3.843 -6.705 3.180 1.00 0.00 H new ATOM 0 HA LEU A 29 1.265 -5.128 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.887 -4.585 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.533 -3.475 4.371 1.00 0.00 H new ATOM 0 HG LEU A 29 2.092 -4.531 6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.298 -6.209 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.130 -4.853 4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.792 -6.408 4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.547 -6.935 6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.080 -7.135 5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.006 -6.095 6.253 1.00 0.00 H new ATOM 486 N CYS A 30 2.546 -3.233 1.604 1.00 0.00 N ATOM 487 CA CYS A 30 3.131 -2.490 0.462 1.00 0.00 C ATOM 488 C CYS A 30 4.308 -1.626 0.917 1.00 0.00 C ATOM 489 O CYS A 30 4.218 -0.884 1.875 1.00 0.00 O ATOM 490 CB CYS A 30 1.978 -1.645 -0.088 1.00 0.00 C ATOM 491 SG CYS A 30 1.866 -0.045 0.746 1.00 0.00 S ATOM 0 H CYS A 30 1.820 -2.740 2.124 1.00 0.00 H new ATOM 0 HA CYS A 30 3.538 -3.153 -0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.119 -1.489 -1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.040 -2.186 0.034 1.00 0.00 H new ATOM 496 N ASN A 31 5.410 -1.718 0.227 1.00 0.00 N ATOM 497 CA ASN A 31 6.598 -0.900 0.605 1.00 0.00 C ATOM 498 C ASN A 31 6.870 0.146 -0.477 1.00 0.00 C ATOM 499 O ASN A 31 5.966 0.611 -1.141 1.00 0.00 O ATOM 500 CB ASN A 31 7.756 -1.896 0.696 1.00 0.00 C ATOM 501 CG ASN A 31 8.776 -1.400 1.722 1.00 0.00 C ATOM 502 OD1 ASN A 31 8.415 -0.992 2.808 1.00 0.00 O ATOM 503 ND2 ASN A 31 10.045 -1.418 1.422 1.00 0.00 N ATOM 0 H ASN A 31 5.540 -2.324 -0.583 1.00 0.00 H new ATOM 0 HA ASN A 31 6.454 -0.364 1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.383 -2.879 0.984 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.230 -2.009 -0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.734 -1.090 2.099 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.349 -1.760 0.510 1.00 0.00 H new