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= -0.0238 (180deg=-0.75) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.0058) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -160:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= -0.118 (180deg=-1.25) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.8 K(o=0.8,f=0) USER MOD ----------------------------------------------------------------- ATOM 10 N CYS A 2 -6.101 4.950 -1.717 1.00 0.00 N ATOM 11 CA CYS A 2 -5.194 3.787 -1.511 1.00 0.00 C ATOM 12 C CYS A 2 -4.889 3.603 -0.023 1.00 0.00 C ATOM 13 O CYS A 2 -5.531 4.182 0.831 1.00 0.00 O ATOM 14 CB CYS A 2 -3.922 4.123 -2.287 1.00 0.00 C ATOM 15 SG CYS A 2 -3.369 5.796 -1.874 1.00 0.00 S ATOM 0 HA CYS A 2 -5.642 2.855 -1.856 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.139 3.403 -2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.109 4.047 -3.358 1.00 0.00 H new ATOM 20 N LEU A 3 -3.922 2.786 0.291 1.00 0.00 N ATOM 21 CA LEU A 3 -3.581 2.541 1.720 1.00 0.00 C ATOM 22 C LEU A 3 -2.352 3.358 2.138 1.00 0.00 C ATOM 23 O LEU A 3 -2.033 4.369 1.544 1.00 0.00 O ATOM 24 CB LEU A 3 -3.287 1.043 1.785 1.00 0.00 C ATOM 25 CG LEU A 3 -4.581 0.262 1.551 1.00 0.00 C ATOM 26 CD1 LEU A 3 -4.761 0.004 0.053 1.00 0.00 C ATOM 27 CD2 LEU A 3 -4.511 -1.074 2.294 1.00 0.00 C ATOM 0 H LEU A 3 -3.351 2.276 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.383 2.838 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.545 0.774 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.864 0.786 2.756 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.426 0.842 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.684 -0.553 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.812 0.955 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.916 -0.575 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.433 -1.631 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.665 -1.653 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.385 -0.891 3.361 1.00 0.00 H new ATOM 39 N GLU A 4 -1.668 2.930 3.166 1.00 0.00 N ATOM 40 CA GLU A 4 -0.468 3.682 3.637 1.00 0.00 C ATOM 41 C GLU A 4 0.802 3.161 2.963 1.00 0.00 C ATOM 42 O GLU A 4 0.755 2.490 1.953 1.00 0.00 O ATOM 43 CB GLU A 4 -0.412 3.428 5.143 1.00 0.00 C ATOM 44 CG GLU A 4 -0.032 4.723 5.864 1.00 0.00 C ATOM 45 CD GLU A 4 -1.171 5.735 5.731 1.00 0.00 C ATOM 46 OE1 GLU A 4 -1.279 6.342 4.678 1.00 0.00 O ATOM 47 OE2 GLU A 4 -1.918 5.887 6.685 1.00 0.00 O ATOM 0 H GLU A 4 -1.889 2.090 3.701 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.534 4.743 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.379 3.071 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.317 2.648 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.168 4.521 6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.884 5.133 5.439 1.00 0.00 H new ATOM 54 N PHE A 5 1.936 3.480 3.518 1.00 0.00 N ATOM 55 CA PHE A 5 3.224 3.025 2.921 1.00 0.00 C ATOM 56 C PHE A 5 3.573 1.605 3.385 1.00 0.00 C ATOM 57 O PHE A 5 4.619 1.081 3.060 1.00 0.00 O ATOM 58 CB PHE A 5 4.258 4.029 3.438 1.00 0.00 C ATOM 59 CG PHE A 5 5.651 3.467 3.269 1.00 0.00 C ATOM 60 CD1 PHE A 5 6.148 3.203 1.988 1.00 0.00 C ATOM 61 CD2 PHE A 5 6.443 3.212 4.395 1.00 0.00 C ATOM 62 CE1 PHE A 5 7.439 2.684 1.832 1.00 0.00 C ATOM 63 CE2 PHE A 5 7.735 2.693 4.240 1.00 0.00 C ATOM 64 CZ PHE A 5 8.232 2.429 2.958 1.00 0.00 C ATOM 0 H PHE A 5 2.028 4.040 4.365 1.00 0.00 H new ATOM 0 HA PHE A 5 3.183 2.988 1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.168 4.970 2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.070 4.249 4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.536 3.399 1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.058 3.415 5.383 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.823 2.480 0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.347 2.497 5.108 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.228 2.028 2.837 1.00 0.00 H new ATOM 74 N TRP A 6 2.719 0.984 4.152 1.00 0.00 N ATOM 75 CA TRP A 6 3.026 -0.391 4.636 1.00 0.00 C ATOM 76 C TRP A 6 1.745 -1.096 5.096 1.00 0.00 C ATOM 77 O TRP A 6 1.669 -1.603 6.197 1.00 0.00 O ATOM 78 CB TRP A 6 3.970 -0.167 5.820 1.00 0.00 C ATOM 79 CG TRP A 6 4.465 -1.477 6.334 1.00 0.00 C ATOM 80 CD1 TRP A 6 4.125 -2.026 7.523 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.389 -2.405 5.703 1.00 0.00 C ATOM 82 NE1 TRP A 6 4.784 -3.235 7.660 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.575 -3.513 6.563 1.00 0.00 C ATOM 84 CE3 TRP A 6 6.074 -2.391 4.480 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.416 -4.571 6.220 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.923 -3.454 4.128 1.00 0.00 C ATOM 87 CH2 TRP A 6 7.093 -4.542 4.997 1.00 0.00 C ATOM 0 H TRP A 6 1.826 1.367 4.463 1.00 0.00 H new ATOM 0 HA TRP A 6 3.465 -1.021 3.862 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.812 0.453 5.512 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.451 0.371 6.613 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.450 -1.592 8.246 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.696 -3.846 8.472 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.948 -1.558 3.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.543 -5.406 6.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 7.447 -3.433 3.184 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.746 -5.357 4.722 1.00 0.00 H new ATOM 98 N TRP A 7 0.744 -1.138 4.263 1.00 0.00 N ATOM 99 CA TRP A 7 -0.524 -1.818 4.656 1.00 0.00 C ATOM 100 C TRP A 7 -0.680 -3.110 3.853 1.00 0.00 C ATOM 101 O TRP A 7 0.110 -3.393 2.977 1.00 0.00 O ATOM 102 CB TRP A 7 -1.630 -0.825 4.300 1.00 0.00 C ATOM 103 CG TRP A 7 -1.822 0.129 5.435 1.00 0.00 C ATOM 104 CD1 TRP A 7 -0.953 0.306 6.457 1.00 0.00 C ATOM 105 CD2 TRP A 7 -2.934 1.036 5.684 1.00 0.00 C ATOM 106 NE1 TRP A 7 -1.460 1.263 7.316 1.00 0.00 N ATOM 107 CE2 TRP A 7 -2.681 1.743 6.883 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.127 1.311 4.990 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -3.578 2.690 7.378 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.032 2.263 5.486 1.00 0.00 C ATOM 111 CH2 TRP A 7 -4.760 2.950 6.678 1.00 0.00 C ATOM 0 H TRP A 7 0.747 -0.732 3.327 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.549 -2.087 5.712 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.368 -0.281 3.393 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.559 -1.356 4.095 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.016 -0.216 6.581 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.990 1.576 8.165 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.347 0.787 4.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.361 3.218 8.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.944 2.468 4.946 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.462 3.679 7.055 1.00 0.00 H new ATOM 122 N LYS A 8 -1.683 -3.899 4.131 1.00 0.00 N ATOM 123 CA LYS A 8 -1.847 -5.161 3.352 1.00 0.00 C ATOM 124 C LYS A 8 -1.671 -4.854 1.868 1.00 0.00 C ATOM 125 O LYS A 8 -1.827 -3.730 1.437 1.00 0.00 O ATOM 126 CB LYS A 8 -3.271 -5.658 3.621 1.00 0.00 C ATOM 127 CG LYS A 8 -3.602 -5.574 5.116 1.00 0.00 C ATOM 128 CD LYS A 8 -2.419 -6.086 5.943 1.00 0.00 C ATOM 129 CE LYS A 8 -2.905 -7.151 6.930 1.00 0.00 C ATOM 130 NZ LYS A 8 -3.884 -6.447 7.805 1.00 0.00 N ATOM 0 H LYS A 8 -2.385 -3.729 4.851 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.113 -5.914 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.983 -5.061 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.373 -6.688 3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.829 -4.544 5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.492 -6.165 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.657 -6.505 5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.955 -5.260 6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.371 -7.988 6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.077 -7.558 7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.832 -6.836 8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.660 -5.432 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.844 -6.581 7.429 1.00 0.00 H new ATOM 144 N CYS A 9 -1.340 -5.836 1.082 1.00 0.00 N ATOM 145 CA CYS A 9 -1.148 -5.572 -0.373 1.00 0.00 C ATOM 146 C CYS A 9 -1.325 -6.852 -1.193 1.00 0.00 C ATOM 147 O CYS A 9 -1.484 -7.933 -0.661 1.00 0.00 O ATOM 148 CB CYS A 9 0.286 -5.057 -0.486 1.00 0.00 C ATOM 149 SG CYS A 9 1.445 -6.426 -0.233 1.00 0.00 S ATOM 0 H CYS A 9 -1.195 -6.802 1.377 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.878 -4.860 -0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.446 -4.608 -1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.462 -4.276 0.254 1.00 0.00 H new ATOM 154 N ASN A 10 -1.293 -6.730 -2.492 1.00 0.00 N ATOM 155 CA ASN A 10 -1.452 -7.922 -3.363 1.00 0.00 C ATOM 156 C ASN A 10 -0.864 -7.634 -4.748 1.00 0.00 C ATOM 157 O ASN A 10 -1.269 -6.702 -5.409 1.00 0.00 O ATOM 158 CB ASN A 10 -2.961 -8.135 -3.455 1.00 0.00 C ATOM 159 CG ASN A 10 -3.349 -9.382 -2.658 1.00 0.00 C ATOM 160 OD1 ASN A 10 -4.035 -9.287 -1.659 1.00 0.00 O ATOM 161 ND2 ASN A 10 -2.939 -10.552 -3.058 1.00 0.00 N ATOM 0 H ASN A 10 -1.162 -5.848 -2.988 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.938 -8.801 -2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.487 -7.263 -3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.260 -8.248 -4.497 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.194 -11.389 -2.533 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.363 -10.632 -3.896 1.00 0.00 H new ATOM 168 N PRO A 11 0.076 -8.450 -5.143 1.00 0.00 N ATOM 169 CA PRO A 11 0.726 -8.283 -6.468 1.00 0.00 C ATOM 170 C PRO A 11 -0.292 -8.511 -7.589 1.00 0.00 C ATOM 171 O PRO A 11 -0.206 -7.923 -8.648 1.00 0.00 O ATOM 172 CB PRO A 11 1.818 -9.353 -6.466 1.00 0.00 C ATOM 173 CG PRO A 11 1.347 -10.367 -5.475 1.00 0.00 C ATOM 174 CD PRO A 11 0.616 -9.596 -4.409 1.00 0.00 C ATOM 0 HA PRO A 11 1.129 -7.284 -6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.944 -9.793 -7.455 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.783 -8.935 -6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.691 -11.098 -5.947 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.187 -10.918 -5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.174 -10.191 -3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.285 -9.283 -3.607 1.00 0.00 H new ATOM 182 N ASN A 12 -1.267 -9.344 -7.354 1.00 0.00 N ATOM 183 CA ASN A 12 -2.304 -9.591 -8.396 1.00 0.00 C ATOM 184 C ASN A 12 -3.377 -8.502 -8.311 1.00 0.00 C ATOM 185 O ASN A 12 -4.120 -8.269 -9.243 1.00 0.00 O ATOM 186 CB ASN A 12 -2.894 -10.960 -8.055 1.00 0.00 C ATOM 187 CG ASN A 12 -3.600 -11.534 -9.285 1.00 0.00 C ATOM 188 OD1 ASN A 12 -4.767 -11.869 -9.228 1.00 0.00 O ATOM 189 ND2 ASN A 12 -2.938 -11.665 -10.402 1.00 0.00 N ATOM 0 H ASN A 12 -1.391 -9.865 -6.486 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.899 -9.572 -9.408 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.104 -11.636 -7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.598 -10.868 -7.228 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.400 -12.048 -11.227 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.959 -11.384 -10.450 1.00 0.00 H new ATOM 196 N ASP A 13 -3.450 -7.830 -7.193 1.00 0.00 N ATOM 197 CA ASP A 13 -4.459 -6.745 -7.027 1.00 0.00 C ATOM 198 C ASP A 13 -3.862 -5.616 -6.183 1.00 0.00 C ATOM 199 O ASP A 13 -4.436 -5.186 -5.202 1.00 0.00 O ATOM 200 CB ASP A 13 -5.633 -7.403 -6.300 1.00 0.00 C ATOM 201 CG ASP A 13 -6.891 -6.552 -6.482 1.00 0.00 C ATOM 202 OD1 ASP A 13 -6.767 -5.339 -6.487 1.00 0.00 O ATOM 203 OD2 ASP A 13 -7.958 -7.129 -6.614 1.00 0.00 O ATOM 0 H ASP A 13 -2.850 -7.988 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.769 -6.309 -7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.800 -8.406 -6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.404 -7.509 -5.240 1.00 0.00 H new ATOM 208 N ASP A 14 -2.706 -5.143 -6.558 1.00 0.00 N ATOM 209 CA ASP A 14 -2.047 -4.050 -5.783 1.00 0.00 C ATOM 210 C ASP A 14 -3.029 -2.908 -5.512 1.00 0.00 C ATOM 211 O ASP A 14 -3.746 -2.469 -6.389 1.00 0.00 O ATOM 212 CB ASP A 14 -0.903 -3.574 -6.678 1.00 0.00 C ATOM 213 CG ASP A 14 -0.399 -2.214 -6.190 1.00 0.00 C ATOM 214 OD1 ASP A 14 -0.410 -1.996 -4.989 1.00 0.00 O ATOM 215 OD2 ASP A 14 -0.013 -1.413 -7.025 1.00 0.00 O ATOM 0 H ASP A 14 -2.185 -5.467 -7.373 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.696 -4.392 -4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.090 -4.300 -6.664 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.244 -3.497 -7.711 1.00 0.00 H new ATOM 220 N LYS A 15 -3.061 -2.418 -4.300 1.00 0.00 N ATOM 221 CA LYS A 15 -3.989 -1.299 -3.970 1.00 0.00 C ATOM 222 C LYS A 15 -3.227 -0.157 -3.294 1.00 0.00 C ATOM 223 O LYS A 15 -3.585 0.996 -3.420 1.00 0.00 O ATOM 224 CB LYS A 15 -5.019 -1.897 -3.009 1.00 0.00 C ATOM 225 CG LYS A 15 -6.218 -0.949 -2.887 1.00 0.00 C ATOM 226 CD LYS A 15 -7.508 -1.768 -2.774 1.00 0.00 C ATOM 227 CE LYS A 15 -8.713 -0.826 -2.693 1.00 0.00 C ATOM 228 NZ LYS A 15 -9.872 -1.648 -3.143 1.00 0.00 N ATOM 0 H LYS A 15 -2.484 -2.745 -3.525 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.459 -0.884 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.348 -2.871 -3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.568 -2.057 -2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.102 -0.310 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.266 -0.293 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.608 -2.428 -3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.471 -2.403 -1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.860 -0.458 -1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.576 0.047 -3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.738 -1.072 -3.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.707 -1.978 -4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.982 -2.468 -2.513 1.00 0.00 H new ATOM 242 N CYS A 16 -2.178 -0.465 -2.575 1.00 0.00 N ATOM 243 CA CYS A 16 -1.405 0.619 -1.898 1.00 0.00 C ATOM 244 C CYS A 16 -1.213 1.791 -2.856 1.00 0.00 C ATOM 245 O CYS A 16 -1.178 1.620 -4.059 1.00 0.00 O ATOM 246 CB CYS A 16 -0.049 0.007 -1.532 1.00 0.00 C ATOM 247 SG CYS A 16 0.828 1.139 -0.418 1.00 0.00 S ATOM 0 H CYS A 16 -1.826 -1.411 -2.428 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.922 0.994 -1.015 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.190 -0.961 -1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.541 -0.168 -2.432 1.00 0.00 H new ATOM 252 N CYS A 17 -1.085 2.980 -2.341 1.00 0.00 N ATOM 253 CA CYS A 17 -0.892 4.150 -3.242 1.00 0.00 C ATOM 254 C CYS A 17 0.164 3.797 -4.292 1.00 0.00 C ATOM 255 O CYS A 17 1.009 2.953 -4.066 1.00 0.00 O ATOM 256 CB CYS A 17 -0.408 5.281 -2.333 1.00 0.00 C ATOM 257 SG CYS A 17 -1.581 5.519 -0.970 1.00 0.00 S ATOM 0 H CYS A 17 -1.105 3.193 -1.344 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.800 4.437 -3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.580 5.045 -1.938 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.310 6.203 -2.906 1.00 0.00 H new ATOM 262 N ARG A 18 0.130 4.417 -5.440 1.00 0.00 N ATOM 263 CA ARG A 18 1.144 4.078 -6.478 1.00 0.00 C ATOM 264 C ARG A 18 2.104 5.244 -6.791 1.00 0.00 C ATOM 265 O ARG A 18 2.765 5.210 -7.808 1.00 0.00 O ATOM 266 CB ARG A 18 0.329 3.727 -7.721 1.00 0.00 C ATOM 267 CG ARG A 18 -0.750 4.788 -7.938 1.00 0.00 C ATOM 268 CD ARG A 18 -2.092 4.256 -7.436 1.00 0.00 C ATOM 269 NE ARG A 18 -3.112 5.170 -8.019 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.332 5.160 -7.559 1.00 0.00 C ATOM 271 NH1 ARG A 18 -5.188 4.278 -7.996 1.00 0.00 N ATOM 272 NH2 ARG A 18 -4.695 6.030 -6.657 1.00 0.00 N ATOM 0 H ARG A 18 -0.546 5.134 -5.702 1.00 0.00 H new ATOM 0 HA ARG A 18 1.782 3.265 -6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.981 3.672 -8.593 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.130 2.745 -7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.488 5.703 -7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.819 5.041 -8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.254 3.227 -7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.135 4.260 -6.347 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.857 5.803 -8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.903 3.595 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.142 4.271 -7.635 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.025 6.717 -6.312 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.649 6.023 -6.297 1.00 0.00 H new ATOM 286 N PRO A 19 2.190 6.233 -5.926 1.00 0.00 N ATOM 287 CA PRO A 19 3.122 7.349 -6.196 1.00 0.00 C ATOM 288 C PRO A 19 4.558 6.861 -5.995 1.00 0.00 C ATOM 289 O PRO A 19 5.497 7.426 -6.518 1.00 0.00 O ATOM 290 CB PRO A 19 2.744 8.405 -5.163 1.00 0.00 C ATOM 291 CG PRO A 19 2.107 7.642 -4.049 1.00 0.00 C ATOM 292 CD PRO A 19 1.468 6.422 -4.658 1.00 0.00 C ATOM 0 HA PRO A 19 3.060 7.739 -7.212 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.622 8.951 -4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.057 9.140 -5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.849 7.357 -3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.362 8.253 -3.540 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.569 5.553 -4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.401 6.572 -4.825 1.00 0.00 H new ATOM 300 N LYS A 20 4.727 5.805 -5.242 1.00 0.00 N ATOM 301 CA LYS A 20 6.092 5.260 -5.004 1.00 0.00 C ATOM 302 C LYS A 20 6.024 4.047 -4.066 1.00 0.00 C ATOM 303 O LYS A 20 6.845 3.890 -3.183 1.00 0.00 O ATOM 304 CB LYS A 20 6.863 6.402 -4.344 1.00 0.00 C ATOM 305 CG LYS A 20 8.255 5.909 -3.959 1.00 0.00 C ATOM 306 CD LYS A 20 9.256 7.061 -4.070 1.00 0.00 C ATOM 307 CE LYS A 20 9.605 7.572 -2.670 1.00 0.00 C ATOM 308 NZ LYS A 20 9.183 9.000 -2.666 1.00 0.00 N ATOM 0 H LYS A 20 3.973 5.296 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 20 6.568 4.923 -5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.939 7.248 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.331 6.753 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.245 5.519 -2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.555 5.089 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.158 6.725 -4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.833 7.868 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.082 7.004 -1.901 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.672 7.475 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.390 9.421 -1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.702 9.517 -3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.162 9.061 -2.853 1.00 0.00 H new ATOM 322 N LEU A 21 5.055 3.184 -4.246 1.00 0.00 N ATOM 323 CA LEU A 21 4.949 1.987 -3.356 1.00 0.00 C ATOM 324 C LEU A 21 4.552 0.743 -4.152 1.00 0.00 C ATOM 325 O LEU A 21 4.090 0.828 -5.273 1.00 0.00 O ATOM 326 CB LEU A 21 3.850 2.329 -2.353 1.00 0.00 C ATOM 327 CG LEU A 21 4.085 3.730 -1.797 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.223 4.728 -2.566 1.00 0.00 C ATOM 329 CD2 LEU A 21 3.704 3.759 -0.318 1.00 0.00 C ATOM 0 H LEU A 21 4.337 3.256 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 21 5.902 1.766 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.874 2.277 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.844 1.601 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 21 5.136 3.997 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.388 5.731 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.493 4.704 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.172 4.463 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.871 4.759 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.652 3.496 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.317 3.043 0.230 1.00 0.00 H new ATOM 341 N LYS A 22 4.715 -0.413 -3.568 1.00 0.00 N ATOM 342 CA LYS A 22 4.336 -1.667 -4.263 1.00 0.00 C ATOM 343 C LYS A 22 4.175 -2.799 -3.245 1.00 0.00 C ATOM 344 O LYS A 22 4.944 -2.918 -2.311 1.00 0.00 O ATOM 345 CB LYS A 22 5.481 -1.962 -5.232 1.00 0.00 C ATOM 346 CG LYS A 22 5.047 -3.046 -6.220 1.00 0.00 C ATOM 347 CD LYS A 22 5.104 -4.413 -5.534 1.00 0.00 C ATOM 348 CE LYS A 22 5.598 -5.465 -6.529 1.00 0.00 C ATOM 349 NZ LYS A 22 4.715 -6.645 -6.312 1.00 0.00 N ATOM 0 H LYS A 22 5.098 -0.539 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 22 3.387 -1.575 -4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.759 -1.055 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.363 -2.289 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.036 -2.847 -6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.698 -3.038 -7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.770 -4.371 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.117 -4.686 -5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.527 -5.102 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.644 -5.716 -6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.992 -7.410 -6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.808 -6.972 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.727 -6.378 -6.495 1.00 0.00 H new ATOM 363 N CYS A 23 3.180 -3.626 -3.412 1.00 0.00 N ATOM 364 CA CYS A 23 2.974 -4.741 -2.446 1.00 0.00 C ATOM 365 C CYS A 23 4.290 -5.467 -2.173 1.00 0.00 C ATOM 366 O CYS A 23 5.095 -5.678 -3.057 1.00 0.00 O ATOM 367 CB CYS A 23 1.979 -5.690 -3.120 1.00 0.00 C ATOM 368 SG CYS A 23 1.759 -7.162 -2.089 1.00 0.00 S ATOM 0 H CYS A 23 2.503 -3.578 -4.173 1.00 0.00 H new ATOM 0 HA CYS A 23 2.605 -4.376 -1.487 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.022 -5.188 -3.266 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.343 -5.975 -4.107 1.00 0.00 H new ATOM 373 N SER A 24 4.500 -5.858 -0.950 1.00 0.00 N ATOM 374 CA SER A 24 5.747 -6.583 -0.589 1.00 0.00 C ATOM 375 C SER A 24 5.384 -7.911 0.080 1.00 0.00 C ATOM 376 O SER A 24 4.958 -7.947 1.223 1.00 0.00 O ATOM 377 CB SER A 24 6.469 -5.659 0.390 1.00 0.00 C ATOM 378 OG SER A 24 7.581 -5.064 -0.263 1.00 0.00 O ATOM 0 H SER A 24 3.854 -5.705 -0.176 1.00 0.00 H new ATOM 0 HA SER A 24 6.370 -6.815 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.788 -4.888 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.802 -6.222 1.262 1.00 0.00 H new ATOM 0 HG SER A 24 8.217 -4.737 0.407 1.00 0.00 H new ATOM 384 N LYS A 25 5.537 -8.998 -0.630 1.00 0.00 N ATOM 385 CA LYS A 25 5.193 -10.328 -0.051 1.00 0.00 C ATOM 386 C LYS A 25 6.033 -10.593 1.199 1.00 0.00 C ATOM 387 O LYS A 25 5.637 -11.331 2.079 1.00 0.00 O ATOM 388 CB LYS A 25 5.522 -11.339 -1.151 1.00 0.00 C ATOM 389 CG LYS A 25 7.039 -11.532 -1.244 1.00 0.00 C ATOM 390 CD LYS A 25 7.377 -12.311 -2.517 1.00 0.00 C ATOM 391 CE LYS A 25 8.865 -12.672 -2.517 1.00 0.00 C ATOM 392 NZ LYS A 25 9.577 -11.384 -2.287 1.00 0.00 N ATOM 0 H LYS A 25 5.886 -9.021 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 25 4.148 -10.389 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.038 -12.292 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.132 -10.990 -2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.540 -10.564 -1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.402 -12.070 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.773 -13.216 -2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.137 -11.713 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.095 -13.395 -1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.161 -13.123 -3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.526 -11.432 -2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.041 -10.608 -2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.661 -11.212 -1.265 1.00 0.00 H new ATOM 406 N LEU A 26 7.188 -9.991 1.288 1.00 0.00 N ATOM 407 CA LEU A 26 8.044 -10.204 2.486 1.00 0.00 C ATOM 408 C LEU A 26 7.180 -10.145 3.747 1.00 0.00 C ATOM 409 O LEU A 26 7.278 -10.984 4.621 1.00 0.00 O ATOM 410 CB LEU A 26 9.048 -9.053 2.454 1.00 0.00 C ATOM 411 CG LEU A 26 9.845 -9.113 1.149 1.00 0.00 C ATOM 412 CD1 LEU A 26 9.946 -7.710 0.547 1.00 0.00 C ATOM 413 CD2 LEU A 26 11.252 -9.647 1.431 1.00 0.00 C ATOM 0 H LEU A 26 7.574 -9.362 0.583 1.00 0.00 H new ATOM 0 HA LEU A 26 8.544 -11.172 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.527 -8.099 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.722 -9.119 3.308 1.00 0.00 H new ATOM 0 HG LEU A 26 9.339 -9.776 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.514 -7.753 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.945 -7.328 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.451 -7.048 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.818 -9.689 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.758 -8.986 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.183 -10.647 1.859 1.00 0.00 H new ATOM 425 N PHE A 27 6.325 -9.164 3.840 1.00 0.00 N ATOM 426 CA PHE A 27 5.438 -9.054 5.033 1.00 0.00 C ATOM 427 C PHE A 27 3.975 -8.962 4.595 1.00 0.00 C ATOM 428 O PHE A 27 3.091 -8.749 5.401 1.00 0.00 O ATOM 429 CB PHE A 27 5.846 -7.765 5.734 1.00 0.00 C ATOM 430 CG PHE A 27 6.834 -8.068 6.836 1.00 0.00 C ATOM 431 CD1 PHE A 27 6.382 -8.563 8.065 1.00 0.00 C ATOM 432 CD2 PHE A 27 8.200 -7.847 6.630 1.00 0.00 C ATOM 433 CE1 PHE A 27 7.298 -8.837 9.087 1.00 0.00 C ATOM 434 CE2 PHE A 27 9.116 -8.122 7.653 1.00 0.00 C ATOM 435 CZ PHE A 27 8.665 -8.615 8.882 1.00 0.00 C ATOM 0 H PHE A 27 6.202 -8.432 3.140 1.00 0.00 H new ATOM 0 HA PHE A 27 5.535 -9.922 5.686 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.290 -7.075 5.016 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.966 -7.272 6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.327 -8.733 8.224 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.548 -7.464 5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.950 -9.220 10.035 1.00 0.00 H new ATOM 0 HE2 PHE A 27 10.171 -7.953 7.493 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.371 -8.824 9.672 1.00 0.00 H new ATOM 445 N LYS A 28 3.711 -9.121 3.325 1.00 0.00 N ATOM 446 CA LYS A 28 2.299 -9.040 2.836 1.00 0.00 C ATOM 447 C LYS A 28 1.819 -7.589 2.897 1.00 0.00 C ATOM 448 O LYS A 28 0.633 -7.309 2.857 1.00 0.00 O ATOM 449 CB LYS A 28 1.466 -9.915 3.787 1.00 0.00 C ATOM 450 CG LYS A 28 2.286 -11.116 4.268 1.00 0.00 C ATOM 451 CD LYS A 28 1.448 -12.390 4.147 1.00 0.00 C ATOM 452 CE LYS A 28 0.263 -12.314 5.112 1.00 0.00 C ATOM 453 NZ LYS A 28 0.757 -12.925 6.379 1.00 0.00 N ATOM 0 H LYS A 28 4.409 -9.303 2.604 1.00 0.00 H new ATOM 0 HA LYS A 28 2.207 -9.381 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.140 -9.324 4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.567 -10.262 3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.196 -11.209 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.594 -10.968 5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.091 -12.507 3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.060 -13.263 4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.053 -11.283 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.599 -12.856 4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.001 -12.909 7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.044 -13.909 6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.573 -12.384 6.730 1.00 0.00 H new ATOM 467 N LEU A 29 2.735 -6.664 2.990 1.00 0.00 N ATOM 468 CA LEU A 29 2.340 -5.226 3.058 1.00 0.00 C ATOM 469 C LEU A 29 2.931 -4.469 1.872 1.00 0.00 C ATOM 470 O LEU A 29 3.746 -4.990 1.143 1.00 0.00 O ATOM 471 CB LEU A 29 2.924 -4.701 4.373 1.00 0.00 C ATOM 472 CG LEU A 29 2.764 -5.756 5.469 1.00 0.00 C ATOM 473 CD1 LEU A 29 3.113 -5.143 6.825 1.00 0.00 C ATOM 474 CD2 LEU A 29 1.314 -6.248 5.490 1.00 0.00 C ATOM 0 H LEU A 29 3.739 -6.840 3.022 1.00 0.00 H new ATOM 0 HA LEU A 29 1.258 -5.096 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.978 -4.457 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.418 -3.781 4.665 1.00 0.00 H new ATOM 0 HG LEU A 29 3.432 -6.593 5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.999 -5.896 7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.144 -4.790 6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.446 -4.306 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.196 -7.000 6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.648 -5.409 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.064 -6.686 4.523 1.00 0.00 H new ATOM 486 N CYS A 30 2.521 -3.251 1.659 1.00 0.00 N ATOM 487 CA CYS A 30 3.061 -2.488 0.506 1.00 0.00 C ATOM 488 C CYS A 30 4.252 -1.625 0.924 1.00 0.00 C ATOM 489 O CYS A 30 4.197 -0.888 1.888 1.00 0.00 O ATOM 490 CB CYS A 30 1.883 -1.641 0.012 1.00 0.00 C ATOM 491 SG CYS A 30 1.777 -0.067 0.897 1.00 0.00 S ATOM 0 H CYS A 30 1.838 -2.754 2.232 1.00 0.00 H new ATOM 0 HA CYS A 30 3.443 -3.139 -0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.993 -1.452 -1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.954 -2.196 0.144 1.00 0.00 H new ATOM 496 N ASN A 31 5.329 -1.714 0.197 1.00 0.00 N ATOM 497 CA ASN A 31 6.533 -0.900 0.533 1.00 0.00 C ATOM 498 C ASN A 31 6.781 0.138 -0.567 1.00 0.00 C ATOM 499 O ASN A 31 5.869 0.808 -1.009 1.00 0.00 O ATOM 500 CB ASN A 31 7.683 -1.907 0.606 1.00 0.00 C ATOM 501 CG ASN A 31 8.819 -1.324 1.450 1.00 0.00 C ATOM 502 OD1 ASN A 31 9.877 -1.019 0.937 1.00 0.00 O ATOM 503 ND2 ASN A 31 8.644 -1.158 2.732 1.00 0.00 N ATOM 0 H ASN A 31 5.430 -2.317 -0.619 1.00 0.00 H new ATOM 0 HA ASN A 31 6.422 -0.350 1.468 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.334 -2.843 1.043 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.042 -2.138 -0.397 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.396 -0.772 3.304 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.756 -1.414 3.163 1.00 0.00 H new