USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 363 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 1 ASP N :NH3+ 162:sc= 0.38 (180deg=0.253) USER MOD Single : A 5 THR OG1 : rot 157:sc= 1.33 USER MOD Single : A 6 ASN : amide:sc= 0.74 K(o=0.74,f=-9.3!) USER MOD Single : A 11 THR OG1 : rot 180:sc=0.000771 USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0626) USER MOD Single : A 15 LYS NZ :NH3+ -143:sc= 1.19 (180deg=1.02) USER MOD Single : A 16 TYR OH : rot -82:sc= 1.04 USER MOD Single : A 18 SER OG : rot -98:sc= 1.29 USER MOD Single : A 22 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A 29 SER OG : rot 58:sc= 1.29 USER MOD Single : A 33 ASN : amide:sc= -0.0275 X(o=-0.027,f=-0.034) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -0.0145 (180deg=-0.173) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0845 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0715 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -10.883 -3.298 12.419 1.00 0.00 N ATOM 2 CA ASP A 1 -9.734 -4.204 12.416 1.00 0.00 C ATOM 3 C ASP A 1 -8.477 -3.446 12.763 1.00 0.00 C ATOM 4 O ASP A 1 -8.554 -2.333 13.282 1.00 0.00 O ATOM 5 CB ASP A 1 -9.598 -4.934 11.074 1.00 0.00 C ATOM 6 CG ASP A 1 -10.704 -5.934 10.866 1.00 0.00 C ATOM 7 OD1 ASP A 1 -11.882 -5.536 10.921 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.414 -7.138 10.669 1.00 0.00 O ATOM 0 H1 ASP A 1 -11.670 -3.734 11.897 1.00 0.00 H new ATOM 0 H2 ASP A 1 -11.177 -3.114 13.399 1.00 0.00 H new ATOM 0 H3 ASP A 1 -10.619 -2.401 11.963 1.00 0.00 H new ATOM 0 HA ASP A 1 -9.896 -4.968 13.176 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.608 -4.207 10.262 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.635 -5.443 11.033 1.00 0.00 H new ATOM 15 N ARG A 2 -7.331 -4.023 12.486 1.00 0.00 N ATOM 16 CA ARG A 2 -6.060 -3.409 12.798 1.00 0.00 C ATOM 17 C ARG A 2 -5.282 -3.159 11.500 1.00 0.00 C ATOM 18 O ARG A 2 -4.870 -2.032 11.209 1.00 0.00 O ATOM 19 CB ARG A 2 -5.277 -4.336 13.740 1.00 0.00 C ATOM 20 CG ARG A 2 -4.114 -3.692 14.463 1.00 0.00 C ATOM 21 CD ARG A 2 -2.802 -4.349 14.081 1.00 0.00 C ATOM 22 NE ARG A 2 -2.141 -3.647 12.979 1.00 0.00 N ATOM 23 CZ ARG A 2 -1.528 -4.231 11.939 1.00 0.00 C ATOM 24 NH1 ARG A 2 -1.593 -5.540 11.760 1.00 0.00 N ATOM 25 NH2 ARG A 2 -0.871 -3.496 11.064 1.00 0.00 N ATOM 0 H ARG A 2 -7.253 -4.935 12.036 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.213 -2.451 13.295 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.966 -4.739 14.482 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.901 -5.180 13.162 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.076 -2.630 14.223 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.263 -3.770 15.540 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.141 -4.370 14.947 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.984 -5.385 13.794 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.147 -2.627 13.005 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.115 -6.119 12.418 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.122 -5.970 10.964 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.829 -2.483 11.178 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.405 -3.940 10.273 1.00 0.00 H new ATOM 39 N ILE A 3 -5.137 -4.196 10.691 1.00 0.00 N ATOM 40 CA ILE A 3 -4.409 -4.101 9.431 1.00 0.00 C ATOM 41 C ILE A 3 -5.335 -3.548 8.315 1.00 0.00 C ATOM 42 O ILE A 3 -5.538 -4.134 7.251 1.00 0.00 O ATOM 43 CB ILE A 3 -3.731 -5.472 9.050 1.00 0.00 C ATOM 44 CG1 ILE A 3 -2.805 -5.326 7.827 1.00 0.00 C ATOM 45 CG2 ILE A 3 -4.752 -6.595 8.857 1.00 0.00 C ATOM 46 CD1 ILE A 3 -2.006 -6.570 7.499 1.00 0.00 C ATOM 0 H ILE A 3 -5.517 -5.123 10.885 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.591 -3.390 9.550 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.110 -5.760 9.898 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.408 -5.056 6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.115 -4.501 8.005 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.233 -7.517 8.596 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.310 -6.742 9.781 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.441 -6.327 8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.381 -6.381 6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.374 -6.831 8.348 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.687 -7.394 7.287 1.00 0.00 H new ATOM 58 N CYS A 4 -5.886 -2.398 8.579 1.00 0.00 N ATOM 59 CA CYS A 4 -6.797 -1.765 7.679 1.00 0.00 C ATOM 60 C CYS A 4 -6.095 -0.811 6.742 1.00 0.00 C ATOM 61 O CYS A 4 -6.374 0.389 6.705 1.00 0.00 O ATOM 62 CB CYS A 4 -7.923 -1.088 8.436 1.00 0.00 C ATOM 63 SG CYS A 4 -9.231 -2.238 8.959 1.00 0.00 S ATOM 0 H CYS A 4 -5.711 -1.871 9.435 1.00 0.00 H new ATOM 0 HA CYS A 4 -7.238 -2.543 7.056 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -7.513 -0.591 9.315 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -8.360 -0.313 7.806 1.00 0.00 H new ATOM 68 N THR A 5 -5.157 -1.344 6.030 1.00 0.00 N ATOM 69 CA THR A 5 -4.478 -0.645 4.994 1.00 0.00 C ATOM 70 C THR A 5 -5.241 -0.891 3.682 1.00 0.00 C ATOM 71 O THR A 5 -6.292 -1.561 3.691 1.00 0.00 O ATOM 72 CB THR A 5 -3.050 -1.197 4.889 1.00 0.00 C ATOM 73 OG1 THR A 5 -2.880 -2.231 5.894 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.024 -0.096 5.126 1.00 0.00 C ATOM 0 H THR A 5 -4.835 -2.303 6.158 1.00 0.00 H new ATOM 0 HA THR A 5 -4.432 0.425 5.199 1.00 0.00 H new ATOM 0 HB THR A 5 -2.897 -1.601 3.888 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.151 -2.829 5.628 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.019 -0.512 5.046 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.153 0.688 4.380 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.165 0.324 6.122 1.00 0.00 H new ATOM 82 N ASN A 6 -4.762 -0.354 2.598 1.00 0.00 N ATOM 83 CA ASN A 6 -5.331 -0.604 1.278 1.00 0.00 C ATOM 84 C ASN A 6 -4.288 -0.351 0.252 1.00 0.00 C ATOM 85 O ASN A 6 -3.471 0.546 0.434 1.00 0.00 O ATOM 86 CB ASN A 6 -6.643 0.166 1.011 1.00 0.00 C ATOM 87 CG ASN A 6 -7.015 0.369 -0.462 1.00 0.00 C ATOM 88 OD1 ASN A 6 -6.606 1.329 -1.091 1.00 0.00 O ATOM 89 ND2 ASN A 6 -7.800 -0.515 -1.008 1.00 0.00 N ATOM 0 H ASN A 6 -3.960 0.276 2.590 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.633 -1.650 1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -7.459 -0.365 1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.569 1.145 1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.085 -0.412 -1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -8.130 -1.311 -0.462 1.00 0.00 H new ATOM 96 N CYS A 7 -4.275 -1.146 -0.786 1.00 0.00 N ATOM 97 CA CYS A 7 -3.235 -1.073 -1.805 1.00 0.00 C ATOM 98 C CYS A 7 -3.215 0.288 -2.490 1.00 0.00 C ATOM 99 O CYS A 7 -2.166 0.924 -2.601 1.00 0.00 O ATOM 100 CB CYS A 7 -3.417 -2.198 -2.834 1.00 0.00 C ATOM 101 SG CYS A 7 -2.363 -2.066 -4.313 1.00 0.00 S ATOM 0 H CYS A 7 -4.979 -1.864 -0.958 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.272 -1.203 -1.310 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.215 -3.152 -2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.460 -2.216 -3.150 1.00 0.00 H new ATOM 106 N CYS A 8 -4.385 0.755 -2.871 1.00 0.00 N ATOM 107 CA CYS A 8 -4.516 1.993 -3.600 1.00 0.00 C ATOM 108 C CYS A 8 -4.144 3.173 -2.730 1.00 0.00 C ATOM 109 O CYS A 8 -3.309 3.984 -3.096 1.00 0.00 O ATOM 110 CB CYS A 8 -5.941 2.159 -4.101 1.00 0.00 C ATOM 111 SG CYS A 8 -6.178 3.549 -5.261 1.00 0.00 S ATOM 0 H CYS A 8 -5.271 0.285 -2.683 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.835 1.958 -4.451 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.250 1.236 -4.592 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.600 2.301 -3.244 1.00 0.00 H new ATOM 116 N ALA A 9 -4.735 3.229 -1.564 1.00 0.00 N ATOM 117 CA ALA A 9 -4.571 4.333 -0.623 1.00 0.00 C ATOM 118 C ALA A 9 -3.227 4.287 0.147 1.00 0.00 C ATOM 119 O ALA A 9 -3.171 4.614 1.345 1.00 0.00 O ATOM 120 CB ALA A 9 -5.741 4.337 0.356 1.00 0.00 C ATOM 0 H ALA A 9 -5.360 2.497 -1.225 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.557 5.255 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.623 5.160 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.674 4.461 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.763 3.393 0.901 1.00 0.00 H new ATOM 126 N GLY A 10 -2.170 3.874 -0.511 1.00 0.00 N ATOM 127 CA GLY A 10 -0.876 3.877 0.102 1.00 0.00 C ATOM 128 C GLY A 10 -0.006 4.947 -0.512 1.00 0.00 C ATOM 129 O GLY A 10 -0.362 5.524 -1.545 1.00 0.00 O ATOM 0 H GLY A 10 -2.187 3.532 -1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.975 4.050 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.406 2.901 -0.022 1.00 0.00 H new ATOM 133 N THR A 11 1.129 5.190 0.070 1.00 0.00 N ATOM 134 CA THR A 11 2.027 6.219 -0.400 1.00 0.00 C ATOM 135 C THR A 11 2.743 5.768 -1.681 1.00 0.00 C ATOM 136 O THR A 11 3.347 4.690 -1.710 1.00 0.00 O ATOM 137 CB THR A 11 3.088 6.516 0.676 1.00 0.00 C ATOM 138 OG1 THR A 11 2.478 6.487 1.987 1.00 0.00 O ATOM 139 CG2 THR A 11 3.719 7.880 0.441 1.00 0.00 C ATOM 0 H THR A 11 1.466 4.682 0.888 1.00 0.00 H new ATOM 0 HA THR A 11 1.440 7.114 -0.609 1.00 0.00 H new ATOM 0 HB THR A 11 3.864 5.753 0.617 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.157 6.675 2.668 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.466 8.073 1.211 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.195 7.896 -0.539 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.948 8.650 0.483 1.00 0.00 H new ATOM 147 N LYS A 12 2.607 6.531 -2.770 1.00 0.00 N ATOM 148 CA LYS A 12 3.372 6.240 -3.988 1.00 0.00 C ATOM 149 C LYS A 12 4.878 6.248 -3.679 1.00 0.00 C ATOM 150 O LYS A 12 5.350 7.014 -2.825 1.00 0.00 O ATOM 151 CB LYS A 12 3.032 7.211 -5.148 1.00 0.00 C ATOM 152 CG LYS A 12 3.772 8.557 -5.154 1.00 0.00 C ATOM 153 CD LYS A 12 3.299 9.504 -4.059 1.00 0.00 C ATOM 154 CE LYS A 12 3.912 10.889 -4.228 1.00 0.00 C ATOM 155 NZ LYS A 12 5.391 10.866 -4.178 1.00 0.00 N ATOM 0 H LYS A 12 1.988 7.339 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 12 3.085 5.245 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.240 6.703 -6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.961 7.411 -5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.841 8.378 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.636 9.035 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.212 9.579 -4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.569 9.100 -3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.591 11.311 -5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.536 11.547 -3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.754 11.841 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.702 10.381 -3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.759 10.360 -5.009 1.00 0.00 H new ATOM 169 N GLY A 13 5.611 5.386 -4.329 1.00 0.00 N ATOM 170 CA GLY A 13 7.022 5.256 -4.051 1.00 0.00 C ATOM 171 C GLY A 13 7.279 4.148 -3.063 1.00 0.00 C ATOM 172 O GLY A 13 8.356 3.557 -3.039 1.00 0.00 O ATOM 0 H GLY A 13 5.259 4.762 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.561 5.055 -4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.406 6.196 -3.656 1.00 0.00 H new ATOM 176 N CYS A 14 6.296 3.872 -2.248 1.00 0.00 N ATOM 177 CA CYS A 14 6.391 2.826 -1.282 1.00 0.00 C ATOM 178 C CYS A 14 5.863 1.539 -1.893 1.00 0.00 C ATOM 179 O CYS A 14 4.789 1.521 -2.524 1.00 0.00 O ATOM 180 CB CYS A 14 5.602 3.174 -0.003 1.00 0.00 C ATOM 181 SG CYS A 14 6.365 4.430 1.123 1.00 0.00 S ATOM 0 H CYS A 14 5.407 4.372 -2.240 1.00 0.00 H new ATOM 0 HA CYS A 14 7.436 2.700 -1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.616 3.534 -0.298 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.449 2.256 0.564 1.00 0.00 H new ATOM 186 N LYS A 15 6.625 0.494 -1.756 1.00 0.00 N ATOM 187 CA LYS A 15 6.246 -0.803 -2.229 1.00 0.00 C ATOM 188 C LYS A 15 5.384 -1.442 -1.164 1.00 0.00 C ATOM 189 O LYS A 15 5.891 -1.861 -0.122 1.00 0.00 O ATOM 190 CB LYS A 15 7.490 -1.660 -2.476 1.00 0.00 C ATOM 191 CG LYS A 15 8.550 -0.994 -3.345 1.00 0.00 C ATOM 192 CD LYS A 15 9.861 -1.768 -3.320 1.00 0.00 C ATOM 193 CE LYS A 15 9.739 -3.133 -3.987 1.00 0.00 C ATOM 194 NZ LYS A 15 9.791 -3.047 -5.456 1.00 0.00 N ATOM 0 H LYS A 15 7.540 0.520 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 15 5.700 -0.721 -3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.935 -1.918 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.185 -2.594 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.188 -0.922 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.721 0.024 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.633 -1.187 -3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.184 -1.898 -2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.543 -3.779 -3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.801 -3.599 -3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.137 -3.743 -5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.514 -2.091 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.759 -3.246 -5.781 1.00 0.00 H new ATOM 208 N TYR A 16 4.098 -1.460 -1.407 1.00 0.00 N ATOM 209 CA TYR A 16 3.113 -2.014 -0.493 1.00 0.00 C ATOM 210 C TYR A 16 3.419 -3.462 -0.307 1.00 0.00 C ATOM 211 O TYR A 16 3.494 -4.223 -1.281 1.00 0.00 O ATOM 212 CB TYR A 16 1.710 -1.801 -1.047 1.00 0.00 C ATOM 213 CG TYR A 16 1.526 -0.406 -1.573 1.00 0.00 C ATOM 214 CD1 TYR A 16 1.705 0.693 -0.752 1.00 0.00 C ATOM 215 CD2 TYR A 16 1.235 -0.187 -2.895 1.00 0.00 C ATOM 216 CE1 TYR A 16 1.588 1.961 -1.247 1.00 0.00 C ATOM 217 CE2 TYR A 16 1.129 1.071 -3.398 1.00 0.00 C ATOM 218 CZ TYR A 16 1.302 2.143 -2.579 1.00 0.00 C ATOM 219 OH TYR A 16 1.218 3.412 -3.097 1.00 0.00 O ATOM 0 H TYR A 16 3.691 -1.083 -2.263 1.00 0.00 H new ATOM 0 HA TYR A 16 3.155 -1.513 0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.521 -2.519 -1.845 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.976 -1.994 -0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.940 0.547 0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.087 -1.032 -3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.719 2.813 -0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.908 1.219 -4.445 1.00 0.00 H new ATOM 0 HH TYR A 16 0.330 3.783 -2.911 1.00 0.00 H new ATOM 229 N PHE A 17 3.627 -3.831 0.910 1.00 0.00 N ATOM 230 CA PHE A 17 4.181 -5.088 1.228 1.00 0.00 C ATOM 231 C PHE A 17 3.663 -5.612 2.561 1.00 0.00 C ATOM 232 O PHE A 17 3.262 -4.849 3.450 1.00 0.00 O ATOM 233 CB PHE A 17 5.707 -4.856 1.166 1.00 0.00 C ATOM 234 CG PHE A 17 6.635 -5.618 2.047 1.00 0.00 C ATOM 235 CD1 PHE A 17 6.873 -5.189 3.335 1.00 0.00 C ATOM 236 CD2 PHE A 17 7.342 -6.692 1.564 1.00 0.00 C ATOM 237 CE1 PHE A 17 7.787 -5.819 4.130 1.00 0.00 C ATOM 238 CE2 PHE A 17 8.255 -7.339 2.360 1.00 0.00 C ATOM 239 CZ PHE A 17 8.483 -6.901 3.648 1.00 0.00 C ATOM 0 H PHE A 17 3.411 -3.252 1.722 1.00 0.00 H new ATOM 0 HA PHE A 17 3.892 -5.879 0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.017 -5.043 0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.877 -3.797 1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.328 -4.341 3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.179 -7.030 0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.963 -5.467 5.136 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.795 -8.192 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.204 -7.406 4.274 1.00 0.00 H new ATOM 249 N SER A 18 3.603 -6.895 2.649 1.00 0.00 N ATOM 250 CA SER A 18 3.207 -7.584 3.832 1.00 0.00 C ATOM 251 C SER A 18 4.459 -7.826 4.635 1.00 0.00 C ATOM 252 O SER A 18 5.467 -8.289 4.086 1.00 0.00 O ATOM 253 CB SER A 18 2.526 -8.917 3.472 1.00 0.00 C ATOM 254 OG SER A 18 2.047 -9.594 4.630 1.00 0.00 O ATOM 0 H SER A 18 3.836 -7.516 1.874 1.00 0.00 H new ATOM 0 HA SER A 18 2.488 -6.998 4.405 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.696 -8.729 2.791 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.234 -9.556 2.944 1.00 0.00 H new ATOM 0 HG SER A 18 2.692 -10.282 4.897 1.00 0.00 H new ATOM 260 N ASP A 19 4.371 -7.537 5.918 1.00 0.00 N ATOM 261 CA ASP A 19 5.486 -7.567 6.891 1.00 0.00 C ATOM 262 C ASP A 19 6.341 -8.835 6.825 1.00 0.00 C ATOM 263 O ASP A 19 7.548 -8.776 7.046 1.00 0.00 O ATOM 264 CB ASP A 19 4.957 -7.354 8.328 1.00 0.00 C ATOM 265 CG ASP A 19 4.083 -8.495 8.848 1.00 0.00 C ATOM 266 OD1 ASP A 19 3.336 -9.112 8.060 1.00 0.00 O ATOM 267 OD2 ASP A 19 4.104 -8.774 10.065 1.00 0.00 O ATOM 0 H ASP A 19 3.488 -7.260 6.347 1.00 0.00 H new ATOM 0 HA ASP A 19 6.144 -6.745 6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.805 -7.225 9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.383 -6.428 8.359 1.00 0.00 H new ATOM 272 N ASP A 20 5.718 -9.955 6.501 1.00 0.00 N ATOM 273 CA ASP A 20 6.399 -11.261 6.406 1.00 0.00 C ATOM 274 C ASP A 20 7.370 -11.339 5.226 1.00 0.00 C ATOM 275 O ASP A 20 8.258 -12.197 5.210 1.00 0.00 O ATOM 276 CB ASP A 20 5.387 -12.404 6.281 1.00 0.00 C ATOM 277 CG ASP A 20 4.618 -12.374 4.978 1.00 0.00 C ATOM 278 OD1 ASP A 20 5.085 -12.956 3.970 1.00 0.00 O ATOM 279 OD2 ASP A 20 3.529 -11.759 4.938 1.00 0.00 O ATOM 0 H ASP A 20 4.720 -9.998 6.293 1.00 0.00 H new ATOM 0 HA ASP A 20 6.970 -11.364 7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.911 -13.356 6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.684 -12.352 7.112 1.00 0.00 H new ATOM 284 N GLY A 21 7.204 -10.470 4.250 1.00 0.00 N ATOM 285 CA GLY A 21 8.068 -10.510 3.095 1.00 0.00 C ATOM 286 C GLY A 21 7.314 -10.681 1.784 1.00 0.00 C ATOM 287 O GLY A 21 7.905 -11.046 0.769 1.00 0.00 O ATOM 0 H GLY A 21 6.491 -9.741 4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.650 -9.590 3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.776 -11.331 3.208 1.00 0.00 H new ATOM 291 N THR A 22 6.033 -10.395 1.787 1.00 0.00 N ATOM 292 CA THR A 22 5.216 -10.560 0.588 1.00 0.00 C ATOM 293 C THR A 22 4.925 -9.199 -0.085 1.00 0.00 C ATOM 294 O THR A 22 4.441 -8.282 0.562 1.00 0.00 O ATOM 295 CB THR A 22 3.885 -11.276 0.940 1.00 0.00 C ATOM 296 OG1 THR A 22 4.170 -12.542 1.570 1.00 0.00 O ATOM 297 CG2 THR A 22 3.035 -11.523 -0.304 1.00 0.00 C ATOM 0 H THR A 22 5.526 -10.047 2.601 1.00 0.00 H new ATOM 0 HA THR A 22 5.777 -11.173 -0.118 1.00 0.00 H new ATOM 0 HB THR A 22 3.327 -10.629 1.617 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.476 -12.389 2.488 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.111 -12.026 -0.019 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.799 -10.570 -0.778 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.588 -12.149 -1.004 1.00 0.00 H new ATOM 305 N PHE A 23 5.246 -9.082 -1.358 1.00 0.00 N ATOM 306 CA PHE A 23 4.988 -7.868 -2.122 1.00 0.00 C ATOM 307 C PHE A 23 3.509 -7.815 -2.518 1.00 0.00 C ATOM 308 O PHE A 23 2.924 -8.833 -2.897 1.00 0.00 O ATOM 309 CB PHE A 23 5.888 -7.833 -3.377 1.00 0.00 C ATOM 310 CG PHE A 23 5.690 -6.628 -4.267 1.00 0.00 C ATOM 311 CD1 PHE A 23 6.266 -5.408 -3.951 1.00 0.00 C ATOM 312 CD2 PHE A 23 4.923 -6.722 -5.418 1.00 0.00 C ATOM 313 CE1 PHE A 23 6.081 -4.309 -4.767 1.00 0.00 C ATOM 314 CE2 PHE A 23 4.733 -5.628 -6.234 1.00 0.00 C ATOM 315 CZ PHE A 23 5.312 -4.422 -5.910 1.00 0.00 C ATOM 0 H PHE A 23 5.694 -9.824 -1.896 1.00 0.00 H new ATOM 0 HA PHE A 23 5.219 -6.997 -1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.930 -7.865 -3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.705 -8.734 -3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.866 -5.315 -3.058 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.468 -7.666 -5.679 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.536 -3.363 -4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.131 -5.717 -7.126 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.165 -3.564 -6.549 1.00 0.00 H new ATOM 325 N VAL A 24 2.910 -6.647 -2.404 1.00 0.00 N ATOM 326 CA VAL A 24 1.508 -6.462 -2.736 1.00 0.00 C ATOM 327 C VAL A 24 1.345 -5.585 -4.004 1.00 0.00 C ATOM 328 O VAL A 24 0.713 -6.008 -4.982 1.00 0.00 O ATOM 329 CB VAL A 24 0.728 -5.831 -1.536 1.00 0.00 C ATOM 330 CG1 VAL A 24 -0.767 -5.808 -1.793 1.00 0.00 C ATOM 331 CG2 VAL A 24 1.023 -6.582 -0.244 1.00 0.00 C ATOM 0 H VAL A 24 3.378 -5.800 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 24 1.086 -7.445 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 24 1.070 -4.801 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.276 -5.363 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.974 -5.218 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.127 -6.826 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.470 -6.125 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.720 -7.623 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.091 -6.535 -0.032 1.00 0.00 H new ATOM 341 N CYS A 25 1.913 -4.380 -3.985 1.00 0.00 N ATOM 342 CA CYS A 25 1.831 -3.432 -5.118 1.00 0.00 C ATOM 343 C CYS A 25 2.880 -2.323 -4.942 1.00 0.00 C ATOM 344 O CYS A 25 3.592 -2.325 -3.947 1.00 0.00 O ATOM 345 CB CYS A 25 0.403 -2.855 -5.267 1.00 0.00 C ATOM 346 SG CYS A 25 -0.592 -2.850 -3.733 1.00 0.00 S ATOM 0 H CYS A 25 2.444 -4.025 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 25 2.049 -3.967 -6.042 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.477 -1.833 -5.637 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.128 -3.431 -6.025 1.00 0.00 H new ATOM 351 N GLU A 26 2.991 -1.392 -5.884 1.00 0.00 N ATOM 352 CA GLU A 26 4.032 -0.366 -5.828 1.00 0.00 C ATOM 353 C GLU A 26 3.562 0.978 -6.444 1.00 0.00 C ATOM 354 O GLU A 26 3.491 1.128 -7.676 1.00 0.00 O ATOM 355 CB GLU A 26 5.268 -0.890 -6.562 1.00 0.00 C ATOM 356 CG GLU A 26 6.488 0.002 -6.510 1.00 0.00 C ATOM 357 CD GLU A 26 7.653 -0.623 -7.230 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.601 -0.778 -8.466 1.00 0.00 O ATOM 359 OE2 GLU A 26 8.636 -0.985 -6.589 1.00 0.00 O ATOM 0 H GLU A 26 2.375 -1.325 -6.695 1.00 0.00 H new ATOM 0 HA GLU A 26 4.268 -0.163 -4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.532 -1.861 -6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.005 -1.054 -7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.255 0.967 -6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.759 0.191 -5.471 1.00 0.00 H new ATOM 366 N GLY A 27 3.252 1.936 -5.579 1.00 0.00 N ATOM 367 CA GLY A 27 2.847 3.266 -6.013 1.00 0.00 C ATOM 368 C GLY A 27 1.441 3.326 -6.593 1.00 0.00 C ATOM 369 O GLY A 27 1.265 3.263 -7.808 1.00 0.00 O ATOM 0 H GLY A 27 3.274 1.814 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.909 3.948 -5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.554 3.624 -6.762 1.00 0.00 H new ATOM 373 N GLU A 28 0.452 3.465 -5.739 1.00 0.00 N ATOM 374 CA GLU A 28 -0.930 3.535 -6.185 1.00 0.00 C ATOM 375 C GLU A 28 -1.553 4.930 -5.977 1.00 0.00 C ATOM 376 O GLU A 28 -2.347 5.381 -6.811 1.00 0.00 O ATOM 377 CB GLU A 28 -1.769 2.474 -5.497 1.00 0.00 C ATOM 378 CG GLU A 28 -1.359 1.044 -5.804 1.00 0.00 C ATOM 379 CD GLU A 28 -1.866 0.532 -7.127 1.00 0.00 C ATOM 380 OE1 GLU A 28 -2.709 1.195 -7.775 1.00 0.00 O ATOM 381 OE2 GLU A 28 -1.454 -0.572 -7.536 1.00 0.00 O ATOM 0 H GLU A 28 0.575 3.532 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.922 3.346 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.715 2.630 -4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.811 2.609 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.271 0.979 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.725 0.393 -5.010 1.00 0.00 H new ATOM 388 N SER A 29 -1.223 5.611 -4.878 1.00 0.00 N ATOM 389 CA SER A 29 -1.761 6.931 -4.641 1.00 0.00 C ATOM 390 C SER A 29 -0.722 7.998 -4.880 1.00 0.00 C ATOM 391 O SER A 29 0.223 8.168 -4.083 1.00 0.00 O ATOM 392 CB SER A 29 -2.333 7.065 -3.241 1.00 0.00 C ATOM 393 OG SER A 29 -3.656 6.562 -3.170 1.00 0.00 O ATOM 0 H SER A 29 -0.593 5.267 -4.153 1.00 0.00 H new ATOM 0 HA SER A 29 -2.574 7.071 -5.353 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.700 6.527 -2.535 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.325 8.113 -2.942 1.00 0.00 H new ATOM 0 HG SER A 29 -3.665 5.625 -3.456 1.00 0.00 H new ATOM 399 N ASP A 30 -0.902 8.699 -5.965 1.00 0.00 N ATOM 400 CA ASP A 30 -0.048 9.774 -6.395 1.00 0.00 C ATOM 401 C ASP A 30 -0.988 10.841 -6.932 1.00 0.00 C ATOM 402 O ASP A 30 -1.919 10.495 -7.663 1.00 0.00 O ATOM 403 CB ASP A 30 0.871 9.252 -7.516 1.00 0.00 C ATOM 404 CG ASP A 30 1.999 10.191 -7.913 1.00 0.00 C ATOM 405 OD1 ASP A 30 2.120 11.290 -7.375 1.00 0.00 O ATOM 406 OD2 ASP A 30 2.800 9.827 -8.796 1.00 0.00 O ATOM 0 H ASP A 30 -1.681 8.530 -6.602 1.00 0.00 H new ATOM 0 HA ASP A 30 0.581 10.166 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.303 8.303 -7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.263 9.046 -8.397 1.00 0.00 H new ATOM 411 N PRO A 31 -0.853 12.110 -6.501 1.00 0.00 N ATOM 412 CA PRO A 31 -1.717 13.210 -6.962 1.00 0.00 C ATOM 413 C PRO A 31 -1.636 13.493 -8.482 1.00 0.00 C ATOM 414 O PRO A 31 -0.959 14.433 -8.931 1.00 0.00 O ATOM 415 CB PRO A 31 -1.234 14.427 -6.152 1.00 0.00 C ATOM 416 CG PRO A 31 0.128 14.059 -5.680 1.00 0.00 C ATOM 417 CD PRO A 31 0.115 12.572 -5.492 1.00 0.00 C ATOM 0 HA PRO A 31 -2.766 12.961 -6.805 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.209 15.326 -6.768 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.900 14.633 -5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.885 14.353 -6.407 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.368 14.568 -4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.102 12.138 -5.653 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.193 12.297 -4.483 1.00 0.00 H new ATOM 425 N ARG A 32 -2.298 12.661 -9.249 1.00 0.00 N ATOM 426 CA ARG A 32 -2.456 12.843 -10.670 1.00 0.00 C ATOM 427 C ARG A 32 -3.855 12.419 -11.041 1.00 0.00 C ATOM 428 O ARG A 32 -4.617 13.198 -11.609 1.00 0.00 O ATOM 429 CB ARG A 32 -1.430 12.046 -11.470 1.00 0.00 C ATOM 430 CG ARG A 32 -0.953 12.757 -12.733 1.00 0.00 C ATOM 431 CD ARG A 32 0.572 12.815 -12.791 1.00 0.00 C ATOM 432 NE ARG A 32 1.141 13.361 -11.551 1.00 0.00 N ATOM 433 CZ ARG A 32 1.701 12.623 -10.588 1.00 0.00 C ATOM 434 NH1 ARG A 32 2.121 11.390 -10.852 1.00 0.00 N ATOM 435 NH2 ARG A 32 1.910 13.144 -9.396 1.00 0.00 N ATOM 0 H ARG A 32 -2.752 11.820 -8.894 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.292 13.893 -10.913 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.570 11.836 -10.834 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.864 11.085 -11.746 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.334 12.237 -13.612 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.359 13.768 -12.760 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.968 11.814 -12.964 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.881 13.431 -13.636 1.00 0.00 H new ATOM 0 HE ARG A 32 1.106 14.371 -11.416 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.016 11.006 -11.791 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.548 10.828 -10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.644 14.111 -9.208 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.337 12.581 -8.661 1.00 0.00 H new ATOM 449 N ASN A 33 -4.203 11.183 -10.724 1.00 0.00 N ATOM 450 CA ASN A 33 -5.543 10.729 -10.945 1.00 0.00 C ATOM 451 C ASN A 33 -6.433 11.173 -9.798 1.00 0.00 C ATOM 452 O ASN A 33 -6.098 10.991 -8.604 1.00 0.00 O ATOM 453 CB ASN A 33 -5.640 9.194 -11.184 1.00 0.00 C ATOM 454 CG ASN A 33 -5.645 8.325 -9.923 1.00 0.00 C ATOM 455 OD1 ASN A 33 -4.594 7.900 -9.445 1.00 0.00 O ATOM 456 ND2 ASN A 33 -6.814 8.034 -9.389 1.00 0.00 N ATOM 0 H ASN A 33 -3.574 10.490 -10.317 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.894 11.189 -11.869 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.550 8.989 -11.748 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.802 8.889 -11.810 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.863 7.443 -8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.670 8.400 -9.806 1.00 0.00 H new ATOM 463 N PRO A 34 -7.520 11.842 -10.135 1.00 0.00 N ATOM 464 CA PRO A 34 -8.525 12.265 -9.174 1.00 0.00 C ATOM 465 C PRO A 34 -9.317 11.072 -8.626 1.00 0.00 C ATOM 466 O PRO A 34 -9.264 9.959 -9.200 1.00 0.00 O ATOM 467 CB PRO A 34 -9.458 13.182 -9.983 1.00 0.00 C ATOM 468 CG PRO A 34 -8.767 13.426 -11.280 1.00 0.00 C ATOM 469 CD PRO A 34 -7.832 12.281 -11.490 1.00 0.00 C ATOM 0 HA PRO A 34 -8.076 12.757 -8.311 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.428 12.711 -10.140 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.640 14.118 -9.455 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.487 13.492 -12.096 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.223 14.370 -11.257 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.297 11.485 -12.073 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.936 12.589 -12.028 1.00 0.00 H new ATOM 477 N LYS A 35 -10.054 11.336 -7.537 1.00 0.00 N ATOM 478 CA LYS A 35 -10.897 10.379 -6.802 1.00 0.00 C ATOM 479 C LYS A 35 -10.088 9.563 -5.817 1.00 0.00 C ATOM 480 O LYS A 35 -8.934 9.202 -6.075 1.00 0.00 O ATOM 481 CB LYS A 35 -11.772 9.489 -7.712 1.00 0.00 C ATOM 482 CG LYS A 35 -12.877 10.235 -8.477 1.00 0.00 C ATOM 483 CD LYS A 35 -14.117 10.516 -7.613 1.00 0.00 C ATOM 484 CE LYS A 35 -13.904 11.660 -6.617 1.00 0.00 C ATOM 485 NZ LYS A 35 -13.696 12.969 -7.278 1.00 0.00 N ATOM 0 H LYS A 35 -10.080 12.268 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.601 10.985 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.127 8.986 -8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.233 8.713 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.480 11.179 -8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.171 9.646 -9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.958 10.758 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.386 9.611 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.769 11.726 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.041 11.434 -5.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.794 13.731 -6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.743 13.001 -7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.405 13.096 -8.028 1.00 0.00 H new ATOM 499 N ALA A 36 -10.682 9.297 -4.687 1.00 0.00 N ATOM 500 CA ALA A 36 -10.025 8.596 -3.616 1.00 0.00 C ATOM 501 C ALA A 36 -10.246 7.105 -3.751 1.00 0.00 C ATOM 502 O ALA A 36 -11.200 6.658 -4.408 1.00 0.00 O ATOM 503 CB ALA A 36 -10.551 9.093 -2.279 1.00 0.00 C ATOM 0 H ALA A 36 -11.645 9.563 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.954 8.789 -3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.051 8.560 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.355 10.161 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.625 8.915 -2.222 1.00 0.00 H new ATOM 509 N CYS A 37 -9.374 6.350 -3.151 1.00 0.00 N ATOM 510 CA CYS A 37 -9.446 4.915 -3.164 1.00 0.00 C ATOM 511 C CYS A 37 -10.352 4.455 -2.033 1.00 0.00 C ATOM 512 O CYS A 37 -10.655 5.243 -1.120 1.00 0.00 O ATOM 513 CB CYS A 37 -8.044 4.342 -2.982 1.00 0.00 C ATOM 514 SG CYS A 37 -6.785 5.086 -4.083 1.00 0.00 S ATOM 0 H CYS A 37 -8.578 6.718 -2.629 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.852 4.566 -4.113 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.736 4.485 -1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.076 3.267 -3.159 1.00 0.00 H new ATOM 519 N THR A 38 -10.787 3.213 -2.079 1.00 0.00 N ATOM 520 CA THR A 38 -11.654 2.676 -1.053 1.00 0.00 C ATOM 521 C THR A 38 -10.924 2.601 0.296 1.00 0.00 C ATOM 522 O THR A 38 -9.678 2.586 0.359 1.00 0.00 O ATOM 523 CB THR A 38 -12.213 1.271 -1.443 1.00 0.00 C ATOM 524 OG1 THR A 38 -13.141 0.814 -0.449 1.00 0.00 O ATOM 525 CG2 THR A 38 -11.102 0.247 -1.588 1.00 0.00 C ATOM 0 H THR A 38 -10.552 2.554 -2.821 1.00 0.00 H new ATOM 0 HA THR A 38 -12.500 3.357 -0.958 1.00 0.00 H new ATOM 0 HB THR A 38 -12.716 1.377 -2.404 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.487 -0.067 -0.704 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.530 -0.718 -1.860 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.410 0.569 -2.366 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.568 0.154 -0.643 1.00 0.00 H new ATOM 533 N LEU A 39 -11.687 2.598 1.360 1.00 0.00 N ATOM 534 CA LEU A 39 -11.138 2.511 2.686 1.00 0.00 C ATOM 535 C LEU A 39 -11.235 1.084 3.207 1.00 0.00 C ATOM 536 O LEU A 39 -10.920 0.818 4.370 1.00 0.00 O ATOM 537 CB LEU A 39 -11.816 3.503 3.655 1.00 0.00 C ATOM 538 CG LEU A 39 -13.341 3.405 3.805 1.00 0.00 C ATOM 539 CD1 LEU A 39 -13.745 3.731 5.231 1.00 0.00 C ATOM 540 CD2 LEU A 39 -14.036 4.362 2.846 1.00 0.00 C ATOM 0 H LEU A 39 -12.705 2.656 1.330 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.086 2.790 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.370 3.371 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.573 4.514 3.328 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.645 2.386 3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.828 3.659 5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.272 3.025 5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.425 4.744 5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.116 4.278 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.725 5.384 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.765 4.110 1.821 1.00 0.00 H new ATOM 552 N ASN A 40 -11.653 0.172 2.335 1.00 0.00 N ATOM 553 CA ASN A 40 -11.770 -1.257 2.665 1.00 0.00 C ATOM 554 C ASN A 40 -10.439 -1.819 3.122 1.00 0.00 C ATOM 555 O ASN A 40 -9.411 -1.631 2.456 1.00 0.00 O ATOM 556 CB ASN A 40 -12.278 -2.071 1.460 1.00 0.00 C ATOM 557 CG ASN A 40 -13.792 -2.179 1.400 1.00 0.00 C ATOM 558 OD1 ASN A 40 -14.509 -1.296 1.855 1.00 0.00 O ATOM 559 ND2 ASN A 40 -14.287 -3.258 0.857 1.00 0.00 N ATOM 0 H ASN A 40 -11.922 0.396 1.377 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.493 -1.340 3.477 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.917 -1.609 0.541 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.851 -3.073 1.502 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -15.298 -3.384 0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -13.663 -3.975 0.487 1.00 0.00 H new ATOM 566 N CYS A 41 -10.453 -2.459 4.259 1.00 0.00 N ATOM 567 CA CYS A 41 -9.268 -3.056 4.840 1.00 0.00 C ATOM 568 C CYS A 41 -8.745 -4.175 3.950 1.00 0.00 C ATOM 569 O CYS A 41 -9.489 -5.087 3.580 1.00 0.00 O ATOM 570 CB CYS A 41 -9.586 -3.593 6.240 1.00 0.00 C ATOM 571 SG CYS A 41 -10.425 -2.377 7.326 1.00 0.00 S ATOM 0 H CYS A 41 -11.295 -2.586 4.820 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.494 -2.292 4.922 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -10.216 -4.477 6.145 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.659 -3.912 6.716 1.00 0.00 H new ATOM 576 N ASP A 42 -7.503 -4.053 3.548 1.00 0.00 N ATOM 577 CA ASP A 42 -6.841 -5.049 2.724 1.00 0.00 C ATOM 578 C ASP A 42 -5.753 -5.694 3.567 1.00 0.00 C ATOM 579 O ASP A 42 -4.649 -5.169 3.661 1.00 0.00 O ATOM 580 CB ASP A 42 -6.226 -4.371 1.490 1.00 0.00 C ATOM 581 CG ASP A 42 -5.977 -5.309 0.324 1.00 0.00 C ATOM 582 OD1 ASP A 42 -6.649 -6.344 0.211 1.00 0.00 O ATOM 583 OD2 ASP A 42 -5.157 -4.980 -0.553 1.00 0.00 O ATOM 0 H ASP A 42 -6.914 -3.254 3.783 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.550 -5.803 2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.888 -3.570 1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.282 -3.907 1.777 1.00 0.00 H new ATOM 588 N PRO A 43 -6.043 -6.850 4.190 1.00 0.00 N ATOM 589 CA PRO A 43 -5.123 -7.511 5.150 1.00 0.00 C ATOM 590 C PRO A 43 -3.893 -8.158 4.492 1.00 0.00 C ATOM 591 O PRO A 43 -3.140 -8.899 5.130 1.00 0.00 O ATOM 592 CB PRO A 43 -6.009 -8.583 5.794 1.00 0.00 C ATOM 593 CG PRO A 43 -7.025 -8.908 4.752 1.00 0.00 C ATOM 594 CD PRO A 43 -7.294 -7.626 4.011 1.00 0.00 C ATOM 0 HA PRO A 43 -4.698 -6.790 5.849 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.429 -9.463 6.070 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.480 -8.213 6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.655 -9.678 4.075 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.938 -9.294 5.206 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.505 -7.809 2.957 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.155 -7.099 4.422 1.00 0.00 H new ATOM 602 N ARG A 44 -3.717 -7.900 3.233 1.00 0.00 N ATOM 603 CA ARG A 44 -2.598 -8.405 2.484 1.00 0.00 C ATOM 604 C ARG A 44 -1.451 -7.404 2.560 1.00 0.00 C ATOM 605 O ARG A 44 -0.288 -7.776 2.582 1.00 0.00 O ATOM 606 CB ARG A 44 -3.038 -8.621 1.056 1.00 0.00 C ATOM 607 CG ARG A 44 -2.137 -9.485 0.188 1.00 0.00 C ATOM 608 CD ARG A 44 -2.871 -9.919 -1.098 1.00 0.00 C ATOM 609 NE ARG A 44 -3.078 -8.800 -2.054 1.00 0.00 N ATOM 610 CZ ARG A 44 -4.035 -7.851 -1.952 1.00 0.00 C ATOM 611 NH1 ARG A 44 -5.093 -8.052 -1.170 1.00 0.00 N ATOM 612 NH2 ARG A 44 -3.984 -6.772 -2.720 1.00 0.00 N ATOM 0 H ARG A 44 -4.355 -7.324 2.684 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.251 -9.353 2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.031 -9.071 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.137 -7.646 0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.235 -8.932 -0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.821 -10.366 0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.299 -10.707 -1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.838 -10.346 -0.832 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.446 -8.744 -2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.182 -8.923 -0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.814 -7.335 -1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.222 -6.657 -3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.707 -6.056 -2.643 1.00 0.00 H new ATOM 626 N ILE A 45 -1.792 -6.132 2.584 1.00 0.00 N ATOM 627 CA ILE A 45 -0.818 -5.095 2.698 1.00 0.00 C ATOM 628 C ILE A 45 -0.653 -4.686 4.157 1.00 0.00 C ATOM 629 O ILE A 45 -1.612 -4.296 4.816 1.00 0.00 O ATOM 630 CB ILE A 45 -1.209 -3.865 1.822 1.00 0.00 C ATOM 631 CG1 ILE A 45 -0.218 -2.694 2.010 1.00 0.00 C ATOM 632 CG2 ILE A 45 -2.665 -3.438 2.034 1.00 0.00 C ATOM 633 CD1 ILE A 45 -0.681 -1.366 1.434 1.00 0.00 C ATOM 0 H ILE A 45 -2.755 -5.800 2.524 1.00 0.00 H new ATOM 0 HA ILE A 45 0.135 -5.477 2.333 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.135 -4.179 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.028 -2.565 3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.732 -2.963 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.888 -2.578 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.328 -4.263 1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.817 -3.169 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.079 -0.606 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.842 -1.471 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.613 -1.067 1.913 1.00 0.00 H new ATOM 645 N ALA A 46 0.550 -4.809 4.668 1.00 0.00 N ATOM 646 CA ALA A 46 0.822 -4.397 6.026 1.00 0.00 C ATOM 647 C ALA A 46 1.193 -2.930 6.028 1.00 0.00 C ATOM 648 O ALA A 46 0.669 -2.140 6.826 1.00 0.00 O ATOM 649 CB ALA A 46 1.923 -5.242 6.644 1.00 0.00 C ATOM 0 H ALA A 46 1.353 -5.189 4.167 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.071 -4.543 6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.107 -4.910 7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.618 -6.288 6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.836 -5.135 6.058 1.00 0.00 H new ATOM 655 N TYR A 47 2.089 -2.568 5.126 1.00 0.00 N ATOM 656 CA TYR A 47 2.509 -1.195 4.939 1.00 0.00 C ATOM 657 C TYR A 47 3.293 -1.075 3.665 1.00 0.00 C ATOM 658 O TYR A 47 3.626 -2.077 3.043 1.00 0.00 O ATOM 659 CB TYR A 47 3.317 -0.633 6.141 1.00 0.00 C ATOM 660 CG TYR A 47 4.611 -1.348 6.514 1.00 0.00 C ATOM 661 CD1 TYR A 47 4.606 -2.614 7.096 1.00 0.00 C ATOM 662 CD2 TYR A 47 5.836 -0.730 6.314 1.00 0.00 C ATOM 663 CE1 TYR A 47 5.782 -3.241 7.457 1.00 0.00 C ATOM 664 CE2 TYR A 47 7.014 -1.346 6.679 1.00 0.00 C ATOM 665 CZ TYR A 47 6.985 -2.602 7.247 1.00 0.00 C ATOM 666 OH TYR A 47 8.166 -3.211 7.619 1.00 0.00 O ATOM 0 H TYR A 47 2.548 -3.228 4.498 1.00 0.00 H new ATOM 0 HA TYR A 47 1.606 -0.587 4.874 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.557 0.408 5.927 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.666 -0.637 7.015 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.664 -3.114 7.268 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.868 0.251 5.864 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.759 -4.225 7.901 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.958 -0.846 6.520 1.00 0.00 H new ATOM 0 HH TYR A 47 8.920 -2.625 7.399 1.00 0.00 H new ATOM 676 N GLY A 48 3.544 0.120 3.268 1.00 0.00 N ATOM 677 CA GLY A 48 4.304 0.354 2.080 1.00 0.00 C ATOM 678 C GLY A 48 5.742 0.613 2.415 1.00 0.00 C ATOM 679 O GLY A 48 6.044 1.548 3.143 1.00 0.00 O ATOM 0 H GLY A 48 3.233 0.964 3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.229 -0.509 1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.892 1.206 1.540 1.00 0.00 H new ATOM 683 N VAL A 49 6.620 -0.206 1.903 1.00 0.00 N ATOM 684 CA VAL A 49 8.032 -0.057 2.156 1.00 0.00 C ATOM 685 C VAL A 49 8.679 0.791 1.068 1.00 0.00 C ATOM 686 O VAL A 49 8.799 0.372 -0.084 1.00 0.00 O ATOM 687 CB VAL A 49 8.754 -1.440 2.307 1.00 0.00 C ATOM 688 CG1 VAL A 49 10.273 -1.286 2.320 1.00 0.00 C ATOM 689 CG2 VAL A 49 8.310 -2.102 3.587 1.00 0.00 C ATOM 0 H VAL A 49 6.381 -0.993 1.301 1.00 0.00 H new ATOM 0 HA VAL A 49 8.145 0.459 3.110 1.00 0.00 H new ATOM 0 HB VAL A 49 8.483 -2.054 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.737 -2.266 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.600 -0.829 1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.567 -0.653 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.812 -3.064 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.565 -1.465 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.231 -2.257 3.562 1.00 0.00 H new ATOM 699 N CYS A 50 9.022 1.988 1.427 1.00 0.00 N ATOM 700 CA CYS A 50 9.719 2.899 0.549 1.00 0.00 C ATOM 701 C CYS A 50 11.214 2.593 0.616 1.00 0.00 C ATOM 702 O CYS A 50 11.681 2.051 1.632 1.00 0.00 O ATOM 703 CB CYS A 50 9.446 4.361 0.959 1.00 0.00 C ATOM 704 SG CYS A 50 7.995 5.144 0.146 1.00 0.00 S ATOM 0 H CYS A 50 8.827 2.374 2.351 1.00 0.00 H new ATOM 0 HA CYS A 50 9.363 2.769 -0.473 1.00 0.00 H new ATOM 0 HB2 CYS A 50 9.301 4.398 2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.332 4.956 0.736 1.00 0.00 H new ATOM 709 N PRO A 51 11.982 2.910 -0.459 1.00 0.00 N ATOM 710 CA PRO A 51 13.425 2.642 -0.531 1.00 0.00 C ATOM 711 C PRO A 51 14.188 3.100 0.717 1.00 0.00 C ATOM 712 O PRO A 51 14.142 4.277 1.112 1.00 0.00 O ATOM 713 CB PRO A 51 13.877 3.432 -1.759 1.00 0.00 C ATOM 714 CG PRO A 51 12.681 3.464 -2.632 1.00 0.00 C ATOM 715 CD PRO A 51 11.498 3.547 -1.708 1.00 0.00 C ATOM 0 HA PRO A 51 13.627 1.573 -0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 51 14.200 4.437 -1.489 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.719 2.949 -2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.712 4.321 -3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.628 2.571 -3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.194 4.580 -1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.634 3.023 -2.116 1.00 0.00 H new ATOM 723 N ARG A 52 14.845 2.158 1.336 1.00 0.00 N ATOM 724 CA ARG A 52 15.629 2.387 2.533 1.00 0.00 C ATOM 725 C ARG A 52 17.064 2.595 2.119 1.00 0.00 C ATOM 726 O ARG A 52 17.799 3.396 2.695 1.00 0.00 O ATOM 727 CB ARG A 52 15.558 1.166 3.448 1.00 0.00 C ATOM 728 CG ARG A 52 14.160 0.769 3.868 1.00 0.00 C ATOM 729 CD ARG A 52 14.113 -0.691 4.271 1.00 0.00 C ATOM 730 NE ARG A 52 14.312 -1.593 3.120 1.00 0.00 N ATOM 731 CZ ARG A 52 13.849 -2.847 3.041 1.00 0.00 C ATOM 732 NH1 ARG A 52 13.378 -3.456 4.128 1.00 0.00 N ATOM 733 NH2 ARG A 52 13.941 -3.516 1.894 1.00 0.00 N ATOM 0 H ARG A 52 14.855 1.188 1.021 1.00 0.00 H new ATOM 0 HA ARG A 52 15.243 3.256 3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 52 16.023 0.321 2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 52 16.148 1.365 4.342 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.835 1.392 4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.465 0.947 3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.881 -0.885 5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.152 -0.907 4.738 1.00 0.00 H new ATOM 0 HE ARG A 52 14.842 -1.235 2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.369 -2.967 5.023 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.026 -4.411 4.065 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.363 -3.073 1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.589 -4.471 1.831 1.00 0.00 H new ATOM 747 N SER A 53 17.452 1.859 1.120 1.00 0.00 N ATOM 748 CA SER A 53 18.764 1.896 0.564 1.00 0.00 C ATOM 749 C SER A 53 18.648 1.513 -0.910 1.00 0.00 C ATOM 750 O SER A 53 18.279 0.353 -1.203 1.00 0.00 O ATOM 751 CB SER A 53 19.688 0.928 1.325 1.00 0.00 C ATOM 752 OG SER A 53 19.679 1.213 2.735 1.00 0.00 O ATOM 753 OXT SER A 53 18.841 2.387 -1.773 1.00 0.00 O ATOM 0 H SER A 53 16.836 1.192 0.655 1.00 0.00 H new ATOM 0 HA SER A 53 19.199 2.891 0.653 1.00 0.00 H new ATOM 0 HB2 SER A 53 19.365 -0.099 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 53 20.704 1.010 0.940 1.00 0.00 H new ATOM 0 HG SER A 53 20.271 0.585 3.199 1.00 0.00 H new TER 759 SER A 53