USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=12 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 Set 1.1: A 33 ASN : amide:sc= 1.34 K(o=2.6,f=-4.3!) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -150:sc= 1.23 (180deg=-0.26) USER MOD Set 2.1: A 16 TYR OH : rot 120:sc= 0.221 USER MOD Set 2.2: A 29 SER OG : rot -80:sc= 1.01 USER MOD Single : A 1 ASP N :NH3+ -98:sc= 0.109 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.784 K(o=0.78,f=-8.3!) USER MOD Single : A 11 THR OG1 : rot -16:sc= 0.675 USER MOD Single : A 12 LYS NZ :NH3+ 140:sc= 1.26 (180deg=0.935) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 107:sc= -0.336! USER MOD Single : A 22 THR OG1 : rot 129:sc= 0.825 USER MOD Single : A 38 THR OG1 : rot -95:sc= 0.146 USER MOD Single : A 40 ASN : amide:sc=-0.00713 K(o=-0.0071,f=-1.5) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0369 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -5.645 -7.119 13.666 1.00 0.00 N ATOM 2 CA ASP A 1 -7.011 -7.495 13.306 1.00 0.00 C ATOM 3 C ASP A 1 -7.551 -6.426 12.408 1.00 0.00 C ATOM 4 O ASP A 1 -7.156 -5.270 12.564 1.00 0.00 O ATOM 5 CB ASP A 1 -7.906 -7.642 14.567 1.00 0.00 C ATOM 6 CG ASP A 1 -8.768 -6.413 14.876 1.00 0.00 C ATOM 7 OD1 ASP A 1 -8.244 -5.419 15.389 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.005 -6.440 14.615 1.00 0.00 O ATOM 0 H1 ASP A 1 -4.973 -7.623 13.053 1.00 0.00 H new ATOM 0 H2 ASP A 1 -5.523 -6.093 13.543 1.00 0.00 H new ATOM 0 H3 ASP A 1 -5.465 -7.373 14.658 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.008 -8.461 12.801 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.559 -8.505 14.436 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.270 -7.851 15.427 1.00 0.00 H new ATOM 15 N ARG A 2 -8.410 -6.808 11.447 1.00 0.00 N ATOM 16 CA ARG A 2 -9.086 -5.855 10.556 1.00 0.00 C ATOM 17 C ARG A 2 -8.068 -4.937 9.872 1.00 0.00 C ATOM 18 O ARG A 2 -7.858 -3.782 10.267 1.00 0.00 O ATOM 19 CB ARG A 2 -10.128 -5.059 11.354 1.00 0.00 C ATOM 20 CG ARG A 2 -10.918 -4.045 10.565 1.00 0.00 C ATOM 21 CD ARG A 2 -11.832 -4.699 9.567 1.00 0.00 C ATOM 22 NE ARG A 2 -12.692 -3.712 8.934 1.00 0.00 N ATOM 23 CZ ARG A 2 -13.287 -3.852 7.752 1.00 0.00 C ATOM 24 NH1 ARG A 2 -13.161 -4.976 7.063 1.00 0.00 N ATOM 25 NH2 ARG A 2 -14.028 -2.870 7.272 1.00 0.00 N ATOM 0 H ARG A 2 -8.653 -7.782 11.268 1.00 0.00 H new ATOM 0 HA ARG A 2 -9.604 -6.400 9.767 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.826 -5.762 11.809 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.619 -4.543 12.168 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.506 -3.432 11.248 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.233 -3.376 10.045 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.242 -5.214 8.809 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.441 -5.454 10.064 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.853 -2.840 9.438 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.604 -5.744 7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.621 -5.074 6.158 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.142 -2.009 7.807 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.486 -2.973 6.366 1.00 0.00 H new ATOM 39 N ILE A 3 -7.447 -5.449 8.866 1.00 0.00 N ATOM 40 CA ILE A 3 -6.401 -4.734 8.208 1.00 0.00 C ATOM 41 C ILE A 3 -6.997 -3.783 7.191 1.00 0.00 C ATOM 42 O ILE A 3 -7.271 -4.157 6.047 1.00 0.00 O ATOM 43 CB ILE A 3 -5.399 -5.693 7.518 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.909 -6.781 8.496 1.00 0.00 C ATOM 45 CG2 ILE A 3 -4.221 -4.922 6.938 1.00 0.00 C ATOM 46 CD1 ILE A 3 -4.229 -6.247 9.744 1.00 0.00 C ATOM 0 H ILE A 3 -7.646 -6.370 8.475 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.851 -4.169 8.961 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.921 -6.186 6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.760 -7.393 8.795 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.214 -7.437 7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.532 -5.617 6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.583 -4.204 6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.704 -4.392 7.738 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.917 -7.081 10.374 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.355 -5.661 9.460 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.925 -5.616 10.296 1.00 0.00 H new ATOM 58 N CYS A 4 -7.241 -2.578 7.614 1.00 0.00 N ATOM 59 CA CYS A 4 -7.790 -1.586 6.744 1.00 0.00 C ATOM 60 C CYS A 4 -6.733 -0.680 6.160 1.00 0.00 C ATOM 61 O CYS A 4 -6.951 0.506 5.903 1.00 0.00 O ATOM 62 CB CYS A 4 -8.934 -0.840 7.391 1.00 0.00 C ATOM 63 SG CYS A 4 -10.530 -1.705 7.221 1.00 0.00 S ATOM 0 H CYS A 4 -7.066 -2.258 8.567 1.00 0.00 H new ATOM 0 HA CYS A 4 -8.220 -2.111 5.891 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.715 -0.696 8.449 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.014 0.151 6.944 1.00 0.00 H new ATOM 68 N THR A 5 -5.592 -1.253 5.962 1.00 0.00 N ATOM 69 CA THR A 5 -4.522 -0.637 5.258 1.00 0.00 C ATOM 70 C THR A 5 -4.846 -0.848 3.776 1.00 0.00 C ATOM 71 O THR A 5 -5.380 -1.903 3.417 1.00 0.00 O ATOM 72 CB THR A 5 -3.208 -1.349 5.641 1.00 0.00 C ATOM 73 OG1 THR A 5 -3.231 -1.611 7.066 1.00 0.00 O ATOM 74 CG2 THR A 5 -1.994 -0.492 5.303 1.00 0.00 C ATOM 0 H THR A 5 -5.374 -2.192 6.297 1.00 0.00 H new ATOM 0 HA THR A 5 -4.406 0.422 5.488 1.00 0.00 H new ATOM 0 HB THR A 5 -3.130 -2.278 5.076 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.403 -2.065 7.328 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.084 -1.022 5.585 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.978 -0.289 4.232 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.050 0.449 5.850 1.00 0.00 H new ATOM 82 N ASN A 6 -4.599 0.119 2.938 1.00 0.00 N ATOM 83 CA ASN A 6 -5.005 -0.029 1.551 1.00 0.00 C ATOM 84 C ASN A 6 -3.898 0.360 0.580 1.00 0.00 C ATOM 85 O ASN A 6 -3.084 1.240 0.854 1.00 0.00 O ATOM 86 CB ASN A 6 -6.328 0.730 1.267 1.00 0.00 C ATOM 87 CG ASN A 6 -6.178 2.209 0.962 1.00 0.00 C ATOM 88 OD1 ASN A 6 -6.000 2.589 -0.185 1.00 0.00 O ATOM 89 ND2 ASN A 6 -6.277 3.046 1.970 1.00 0.00 N ATOM 0 H ASN A 6 -4.134 0.996 3.171 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.197 -1.089 1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -6.828 0.252 0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.983 0.619 2.131 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.205 4.050 1.808 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.426 2.691 2.915 1.00 0.00 H new ATOM 96 N CYS A 7 -3.897 -0.306 -0.545 1.00 0.00 N ATOM 97 CA CYS A 7 -2.891 -0.169 -1.582 1.00 0.00 C ATOM 98 C CYS A 7 -3.209 1.018 -2.495 1.00 0.00 C ATOM 99 O CYS A 7 -2.303 1.662 -3.029 1.00 0.00 O ATOM 100 CB CYS A 7 -2.842 -1.495 -2.390 1.00 0.00 C ATOM 101 SG CYS A 7 -1.729 -1.536 -3.846 1.00 0.00 S ATOM 0 H CYS A 7 -4.621 -0.985 -0.779 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.917 0.024 -1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.544 -2.295 -1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.853 -1.724 -2.728 1.00 0.00 H new ATOM 106 N CYS A 8 -4.488 1.340 -2.613 1.00 0.00 N ATOM 107 CA CYS A 8 -4.957 2.380 -3.520 1.00 0.00 C ATOM 108 C CYS A 8 -4.390 3.737 -3.127 1.00 0.00 C ATOM 109 O CYS A 8 -3.671 4.382 -3.897 1.00 0.00 O ATOM 110 CB CYS A 8 -6.496 2.427 -3.510 1.00 0.00 C ATOM 111 SG CYS A 8 -7.239 3.626 -4.677 1.00 0.00 S ATOM 0 H CYS A 8 -5.232 0.888 -2.082 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.611 2.144 -4.526 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.877 1.432 -3.742 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.831 2.669 -2.501 1.00 0.00 H new ATOM 116 N ALA A 9 -4.699 4.146 -1.938 1.00 0.00 N ATOM 117 CA ALA A 9 -4.277 5.416 -1.402 1.00 0.00 C ATOM 118 C ALA A 9 -2.938 5.310 -0.624 1.00 0.00 C ATOM 119 O ALA A 9 -2.850 5.773 0.520 1.00 0.00 O ATOM 120 CB ALA A 9 -5.369 5.968 -0.502 1.00 0.00 C ATOM 0 H ALA A 9 -5.266 3.598 -1.291 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.104 6.094 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.054 6.929 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.284 6.101 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.554 5.271 0.315 1.00 0.00 H new ATOM 126 N GLY A 10 -1.927 4.661 -1.193 1.00 0.00 N ATOM 127 CA GLY A 10 -0.628 4.613 -0.552 1.00 0.00 C ATOM 128 C GLY A 10 0.285 5.739 -1.038 1.00 0.00 C ATOM 129 O GLY A 10 0.056 6.914 -0.729 1.00 0.00 O ATOM 0 H GLY A 10 -1.985 4.169 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.753 4.686 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.158 3.651 -0.754 1.00 0.00 H new ATOM 133 N THR A 11 1.307 5.393 -1.791 1.00 0.00 N ATOM 134 CA THR A 11 2.266 6.340 -2.342 1.00 0.00 C ATOM 135 C THR A 11 3.035 5.656 -3.486 1.00 0.00 C ATOM 136 O THR A 11 3.541 4.542 -3.309 1.00 0.00 O ATOM 137 CB THR A 11 3.311 6.797 -1.263 1.00 0.00 C ATOM 138 OG1 THR A 11 2.643 7.294 -0.075 1.00 0.00 O ATOM 139 CG2 THR A 11 4.222 7.890 -1.817 1.00 0.00 C ATOM 0 H THR A 11 1.503 4.425 -2.046 1.00 0.00 H new ATOM 0 HA THR A 11 1.716 7.213 -2.692 1.00 0.00 H new ATOM 0 HB THR A 11 3.912 5.926 -1.001 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.704 7.483 -0.282 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.937 8.190 -1.051 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.759 7.510 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.621 8.751 -2.110 1.00 0.00 H new ATOM 147 N LYS A 12 3.083 6.276 -4.661 1.00 0.00 N ATOM 148 CA LYS A 12 3.895 5.741 -5.740 1.00 0.00 C ATOM 149 C LYS A 12 5.375 5.778 -5.347 1.00 0.00 C ATOM 150 O LYS A 12 5.889 6.803 -4.877 1.00 0.00 O ATOM 151 CB LYS A 12 3.609 6.436 -7.105 1.00 0.00 C ATOM 152 CG LYS A 12 4.233 7.814 -7.331 1.00 0.00 C ATOM 153 CD LYS A 12 5.545 7.708 -8.107 1.00 0.00 C ATOM 154 CE LYS A 12 6.130 9.077 -8.398 1.00 0.00 C ATOM 155 NZ LYS A 12 5.476 9.743 -9.543 1.00 0.00 N ATOM 0 H LYS A 12 2.578 7.133 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 12 3.617 4.698 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.954 5.774 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.529 6.532 -7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.534 8.447 -7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.414 8.296 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.261 7.119 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.373 7.178 -9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.032 9.705 -7.513 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.196 8.977 -8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.356 10.755 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.066 9.632 -10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.545 9.311 -9.710 1.00 0.00 H new ATOM 169 N GLY A 13 6.031 4.663 -5.493 1.00 0.00 N ATOM 170 CA GLY A 13 7.393 4.541 -5.066 1.00 0.00 C ATOM 171 C GLY A 13 7.467 3.602 -3.898 1.00 0.00 C ATOM 172 O GLY A 13 8.494 2.947 -3.661 1.00 0.00 O ATOM 0 H GLY A 13 5.639 3.818 -5.909 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.010 4.170 -5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.787 5.518 -4.787 1.00 0.00 H new ATOM 176 N CYS A 14 6.373 3.520 -3.176 1.00 0.00 N ATOM 177 CA CYS A 14 6.260 2.653 -2.046 1.00 0.00 C ATOM 178 C CYS A 14 5.751 1.313 -2.488 1.00 0.00 C ATOM 179 O CYS A 14 4.732 1.213 -3.199 1.00 0.00 O ATOM 180 CB CYS A 14 5.322 3.241 -0.986 1.00 0.00 C ATOM 181 SG CYS A 14 6.121 4.323 0.261 1.00 0.00 S ATOM 0 H CYS A 14 5.531 4.064 -3.367 1.00 0.00 H new ATOM 0 HA CYS A 14 7.248 2.543 -1.600 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.543 3.812 -1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.829 2.420 -0.466 1.00 0.00 H new ATOM 186 N LYS A 15 6.462 0.297 -2.111 1.00 0.00 N ATOM 187 CA LYS A 15 6.079 -1.041 -2.406 1.00 0.00 C ATOM 188 C LYS A 15 5.149 -1.482 -1.322 1.00 0.00 C ATOM 189 O LYS A 15 5.539 -1.541 -0.156 1.00 0.00 O ATOM 190 CB LYS A 15 7.299 -1.965 -2.449 1.00 0.00 C ATOM 191 CG LYS A 15 8.438 -1.458 -3.315 1.00 0.00 C ATOM 192 CD LYS A 15 9.566 -2.467 -3.404 1.00 0.00 C ATOM 193 CE LYS A 15 9.196 -3.637 -4.302 1.00 0.00 C ATOM 194 NZ LYS A 15 10.330 -4.553 -4.520 1.00 0.00 N ATOM 0 H LYS A 15 7.332 0.378 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 15 5.599 -1.086 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.667 -2.109 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.987 -2.943 -2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.065 -1.240 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.818 -0.522 -2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.462 -1.980 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.807 -2.834 -2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.368 -4.187 -3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.847 -3.259 -5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.031 -5.335 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.112 -4.036 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.648 -4.936 -3.607 1.00 0.00 H new ATOM 208 N TYR A 16 3.934 -1.723 -1.679 1.00 0.00 N ATOM 209 CA TYR A 16 2.951 -2.171 -0.747 1.00 0.00 C ATOM 210 C TYR A 16 3.289 -3.596 -0.433 1.00 0.00 C ATOM 211 O TYR A 16 3.222 -4.475 -1.304 1.00 0.00 O ATOM 212 CB TYR A 16 1.565 -2.028 -1.335 1.00 0.00 C ATOM 213 CG TYR A 16 1.282 -0.639 -1.865 1.00 0.00 C ATOM 214 CD1 TYR A 16 1.007 0.414 -1.013 1.00 0.00 C ATOM 215 CD2 TYR A 16 1.286 -0.392 -3.221 1.00 0.00 C ATOM 216 CE1 TYR A 16 0.746 1.669 -1.513 1.00 0.00 C ATOM 217 CE2 TYR A 16 1.022 0.845 -3.726 1.00 0.00 C ATOM 218 CZ TYR A 16 0.753 1.872 -2.878 1.00 0.00 C ATOM 219 OH TYR A 16 0.467 3.112 -3.397 1.00 0.00 O ATOM 0 H TYR A 16 3.590 -1.614 -2.633 1.00 0.00 H new ATOM 0 HA TYR A 16 2.953 -1.576 0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.444 -2.750 -2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.827 -2.276 -0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.997 0.250 0.054 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.504 -1.202 -3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.537 2.489 -0.842 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.026 1.009 -4.794 1.00 0.00 H new ATOM 0 HH TYR A 16 1.234 3.435 -3.915 1.00 0.00 H new ATOM 229 N PHE A 17 3.695 -3.798 0.770 1.00 0.00 N ATOM 230 CA PHE A 17 4.325 -5.002 1.183 1.00 0.00 C ATOM 231 C PHE A 17 3.777 -5.501 2.499 1.00 0.00 C ATOM 232 O PHE A 17 3.300 -4.719 3.341 1.00 0.00 O ATOM 233 CB PHE A 17 5.838 -4.683 1.191 1.00 0.00 C ATOM 234 CG PHE A 17 6.745 -5.339 2.181 1.00 0.00 C ATOM 235 CD1 PHE A 17 6.863 -4.815 3.454 1.00 0.00 C ATOM 236 CD2 PHE A 17 7.538 -6.407 1.829 1.00 0.00 C ATOM 237 CE1 PHE A 17 7.736 -5.343 4.362 1.00 0.00 C ATOM 238 CE2 PHE A 17 8.431 -6.938 2.736 1.00 0.00 C ATOM 239 CZ PHE A 17 8.527 -6.404 4.007 1.00 0.00 C ATOM 0 H PHE A 17 3.595 -3.110 1.516 1.00 0.00 H new ATOM 0 HA PHE A 17 4.127 -5.835 0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.222 -4.917 0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.939 -3.606 1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.252 -3.970 3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.461 -6.831 0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.803 -4.926 5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.056 -7.772 2.453 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.224 -6.822 4.719 1.00 0.00 H new ATOM 249 N SER A 18 3.764 -6.786 2.632 1.00 0.00 N ATOM 250 CA SER A 18 3.323 -7.428 3.811 1.00 0.00 C ATOM 251 C SER A 18 4.523 -7.778 4.680 1.00 0.00 C ATOM 252 O SER A 18 5.599 -8.117 4.159 1.00 0.00 O ATOM 253 CB SER A 18 2.548 -8.653 3.413 1.00 0.00 C ATOM 254 OG SER A 18 3.277 -9.436 2.493 1.00 0.00 O ATOM 0 H SER A 18 4.069 -7.429 1.901 1.00 0.00 H new ATOM 0 HA SER A 18 2.676 -6.774 4.396 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.318 -9.246 4.298 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.596 -8.358 2.971 1.00 0.00 H new ATOM 0 HG SER A 18 3.613 -10.240 2.942 1.00 0.00 H new ATOM 260 N ASP A 19 4.311 -7.758 5.994 1.00 0.00 N ATOM 261 CA ASP A 19 5.371 -7.910 7.023 1.00 0.00 C ATOM 262 C ASP A 19 6.067 -9.262 6.972 1.00 0.00 C ATOM 263 O ASP A 19 7.163 -9.426 7.522 1.00 0.00 O ATOM 264 CB ASP A 19 4.815 -7.666 8.435 1.00 0.00 C ATOM 265 CG ASP A 19 4.013 -8.830 8.981 1.00 0.00 C ATOM 266 OD1 ASP A 19 2.834 -8.998 8.589 1.00 0.00 O ATOM 267 OD2 ASP A 19 4.534 -9.596 9.821 1.00 0.00 O ATOM 0 H ASP A 19 3.382 -7.634 6.395 1.00 0.00 H new ATOM 0 HA ASP A 19 6.118 -7.151 6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.644 -7.458 9.112 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.185 -6.777 8.420 1.00 0.00 H new ATOM 272 N ASP A 20 5.452 -10.218 6.300 1.00 0.00 N ATOM 273 CA ASP A 20 6.032 -11.545 6.143 1.00 0.00 C ATOM 274 C ASP A 20 7.124 -11.508 5.070 1.00 0.00 C ATOM 275 O ASP A 20 7.920 -12.448 4.926 1.00 0.00 O ATOM 276 CB ASP A 20 4.953 -12.576 5.775 1.00 0.00 C ATOM 277 CG ASP A 20 4.545 -12.517 4.322 1.00 0.00 C ATOM 278 OD1 ASP A 20 3.915 -11.526 3.900 1.00 0.00 O ATOM 279 OD2 ASP A 20 4.842 -13.458 3.571 1.00 0.00 O ATOM 0 H ASP A 20 4.544 -10.101 5.850 1.00 0.00 H new ATOM 0 HA ASP A 20 6.474 -11.847 7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.323 -13.576 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.075 -12.412 6.399 1.00 0.00 H new ATOM 284 N GLY A 21 7.165 -10.409 4.339 1.00 0.00 N ATOM 285 CA GLY A 21 8.162 -10.207 3.333 1.00 0.00 C ATOM 286 C GLY A 21 7.638 -10.460 1.950 1.00 0.00 C ATOM 287 O GLY A 21 8.329 -11.059 1.123 1.00 0.00 O ATOM 0 H GLY A 21 6.503 -9.639 4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.536 -9.185 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.007 -10.868 3.525 1.00 0.00 H new ATOM 291 N THR A 22 6.434 -10.022 1.682 1.00 0.00 N ATOM 292 CA THR A 22 5.849 -10.261 0.389 1.00 0.00 C ATOM 293 C THR A 22 5.341 -8.965 -0.259 1.00 0.00 C ATOM 294 O THR A 22 4.702 -8.129 0.383 1.00 0.00 O ATOM 295 CB THR A 22 4.716 -11.314 0.490 1.00 0.00 C ATOM 296 OG1 THR A 22 5.234 -12.498 1.115 1.00 0.00 O ATOM 297 CG2 THR A 22 4.174 -11.690 -0.887 1.00 0.00 C ATOM 0 H THR A 22 5.846 -9.504 2.334 1.00 0.00 H new ATOM 0 HA THR A 22 6.632 -10.656 -0.258 1.00 0.00 H new ATOM 0 HB THR A 22 3.904 -10.882 1.076 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.645 -12.763 1.853 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.382 -12.430 -0.776 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.775 -10.801 -1.376 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.978 -12.107 -1.493 1.00 0.00 H new ATOM 305 N PHE A 23 5.705 -8.790 -1.505 1.00 0.00 N ATOM 306 CA PHE A 23 5.250 -7.694 -2.329 1.00 0.00 C ATOM 307 C PHE A 23 3.779 -7.921 -2.706 1.00 0.00 C ATOM 308 O PHE A 23 3.397 -9.018 -3.133 1.00 0.00 O ATOM 309 CB PHE A 23 6.140 -7.649 -3.587 1.00 0.00 C ATOM 310 CG PHE A 23 5.723 -6.691 -4.669 1.00 0.00 C ATOM 311 CD1 PHE A 23 6.044 -5.353 -4.589 1.00 0.00 C ATOM 312 CD2 PHE A 23 5.034 -7.148 -5.786 1.00 0.00 C ATOM 313 CE1 PHE A 23 5.687 -4.483 -5.595 1.00 0.00 C ATOM 314 CE2 PHE A 23 4.669 -6.281 -6.794 1.00 0.00 C ATOM 315 CZ PHE A 23 4.997 -4.948 -6.702 1.00 0.00 C ATOM 0 H PHE A 23 6.343 -9.422 -1.989 1.00 0.00 H new ATOM 0 HA PHE A 23 5.321 -6.745 -1.798 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.154 -7.395 -3.279 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.178 -8.651 -4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.581 -4.983 -3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.781 -8.195 -5.865 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.945 -3.437 -5.521 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.127 -6.647 -7.653 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.717 -4.266 -7.491 1.00 0.00 H new ATOM 325 N VAL A 24 2.960 -6.919 -2.511 1.00 0.00 N ATOM 326 CA VAL A 24 1.561 -7.010 -2.855 1.00 0.00 C ATOM 327 C VAL A 24 1.278 -6.192 -4.122 1.00 0.00 C ATOM 328 O VAL A 24 0.659 -6.687 -5.074 1.00 0.00 O ATOM 329 CB VAL A 24 0.647 -6.512 -1.699 1.00 0.00 C ATOM 330 CG1 VAL A 24 -0.783 -6.973 -1.914 1.00 0.00 C ATOM 331 CG2 VAL A 24 1.153 -6.981 -0.339 1.00 0.00 C ATOM 0 H VAL A 24 3.240 -6.023 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 24 1.335 -8.061 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 24 0.674 -5.422 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.408 -6.615 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.156 -6.573 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.814 -8.062 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.489 -6.613 0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.174 -8.071 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.159 -6.595 -0.172 1.00 0.00 H new ATOM 341 N CYS A 25 1.749 -4.955 -4.137 1.00 0.00 N ATOM 342 CA CYS A 25 1.552 -4.034 -5.266 1.00 0.00 C ATOM 343 C CYS A 25 2.522 -2.872 -5.115 1.00 0.00 C ATOM 344 O CYS A 25 3.230 -2.812 -4.107 1.00 0.00 O ATOM 345 CB CYS A 25 0.089 -3.532 -5.304 1.00 0.00 C ATOM 346 SG CYS A 25 -0.677 -3.275 -3.658 1.00 0.00 S ATOM 0 H CYS A 25 2.282 -4.551 -3.367 1.00 0.00 H new ATOM 0 HA CYS A 25 1.746 -4.550 -6.207 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.056 -2.592 -5.855 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.513 -4.250 -5.861 1.00 0.00 H new ATOM 351 N GLU A 26 2.598 -1.971 -6.087 1.00 0.00 N ATOM 352 CA GLU A 26 3.499 -0.833 -5.968 1.00 0.00 C ATOM 353 C GLU A 26 3.013 0.353 -6.781 1.00 0.00 C ATOM 354 O GLU A 26 2.458 0.186 -7.870 1.00 0.00 O ATOM 355 CB GLU A 26 4.921 -1.223 -6.403 1.00 0.00 C ATOM 356 CG GLU A 26 6.024 -0.289 -5.911 1.00 0.00 C ATOM 357 CD GLU A 26 6.448 0.734 -6.934 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.091 0.351 -7.931 1.00 0.00 O ATOM 359 OE2 GLU A 26 6.183 1.945 -6.751 1.00 0.00 O ATOM 0 H GLU A 26 2.057 -2.004 -6.951 1.00 0.00 H new ATOM 0 HA GLU A 26 3.515 -0.537 -4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.131 -2.230 -6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.955 -1.259 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.679 0.227 -5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.891 -0.884 -5.623 1.00 0.00 H new ATOM 366 N GLY A 27 3.180 1.532 -6.196 1.00 0.00 N ATOM 367 CA GLY A 27 2.946 2.790 -6.865 1.00 0.00 C ATOM 368 C GLY A 27 1.574 3.004 -7.439 1.00 0.00 C ATOM 369 O GLY A 27 1.440 3.319 -8.616 1.00 0.00 O ATOM 0 H GLY A 27 3.487 1.635 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.148 3.594 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.672 2.886 -7.673 1.00 0.00 H new ATOM 373 N GLU A 28 0.570 2.883 -6.627 1.00 0.00 N ATOM 374 CA GLU A 28 -0.780 3.137 -7.092 1.00 0.00 C ATOM 375 C GLU A 28 -1.050 4.632 -7.082 1.00 0.00 C ATOM 376 O GLU A 28 -1.572 5.200 -8.042 1.00 0.00 O ATOM 377 CB GLU A 28 -1.798 2.432 -6.202 1.00 0.00 C ATOM 378 CG GLU A 28 -1.723 0.926 -6.251 1.00 0.00 C ATOM 379 CD GLU A 28 -2.423 0.336 -7.445 1.00 0.00 C ATOM 380 OE1 GLU A 28 -1.933 0.489 -8.578 1.00 0.00 O ATOM 381 OE2 GLU A 28 -3.447 -0.338 -7.268 1.00 0.00 O ATOM 0 H GLU A 28 0.646 2.613 -5.646 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.875 2.751 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.652 2.759 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.800 2.745 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.677 0.621 -6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.163 0.517 -5.341 1.00 0.00 H new ATOM 388 N SER A 29 -0.657 5.267 -6.006 1.00 0.00 N ATOM 389 CA SER A 29 -0.926 6.653 -5.786 1.00 0.00 C ATOM 390 C SER A 29 0.141 7.531 -6.398 1.00 0.00 C ATOM 391 O SER A 29 1.067 8.001 -5.721 1.00 0.00 O ATOM 392 CB SER A 29 -1.025 6.865 -4.308 1.00 0.00 C ATOM 393 OG SER A 29 -1.335 5.619 -3.712 1.00 0.00 O ATOM 0 H SER A 29 -0.134 4.823 -5.251 1.00 0.00 H new ATOM 0 HA SER A 29 -1.862 6.932 -6.270 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.086 7.254 -3.914 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.796 7.601 -4.078 1.00 0.00 H new ATOM 0 HG SER A 29 -2.295 5.443 -3.802 1.00 0.00 H new ATOM 399 N ASP A 30 0.037 7.689 -7.676 1.00 0.00 N ATOM 400 CA ASP A 30 0.880 8.586 -8.413 1.00 0.00 C ATOM 401 C ASP A 30 0.173 9.922 -8.411 1.00 0.00 C ATOM 402 O ASP A 30 -1.031 9.952 -8.671 1.00 0.00 O ATOM 403 CB ASP A 30 1.064 8.066 -9.851 1.00 0.00 C ATOM 404 CG ASP A 30 1.912 8.968 -10.723 1.00 0.00 C ATOM 405 OD1 ASP A 30 2.942 9.484 -10.248 1.00 0.00 O ATOM 406 OD2 ASP A 30 1.569 9.156 -11.912 1.00 0.00 O ATOM 0 H ASP A 30 -0.645 7.194 -8.251 1.00 0.00 H new ATOM 0 HA ASP A 30 1.872 8.670 -7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.521 7.077 -9.814 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.084 7.947 -10.313 1.00 0.00 H new ATOM 411 N PRO A 31 0.856 11.028 -8.038 1.00 0.00 N ATOM 412 CA PRO A 31 0.258 12.401 -7.982 1.00 0.00 C ATOM 413 C PRO A 31 -0.189 12.944 -9.365 1.00 0.00 C ATOM 414 O PRO A 31 0.171 14.046 -9.772 1.00 0.00 O ATOM 415 CB PRO A 31 1.400 13.263 -7.415 1.00 0.00 C ATOM 416 CG PRO A 31 2.327 12.295 -6.765 1.00 0.00 C ATOM 417 CD PRO A 31 2.254 11.046 -7.587 1.00 0.00 C ATOM 0 HA PRO A 31 -0.653 12.408 -7.384 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.903 13.821 -8.205 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.025 13.993 -6.698 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.344 12.686 -6.737 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.031 12.102 -5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.949 11.074 -8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.500 10.161 -7.000 1.00 0.00 H new ATOM 425 N ARG A 32 -0.953 12.149 -10.059 1.00 0.00 N ATOM 426 CA ARG A 32 -1.494 12.442 -11.360 1.00 0.00 C ATOM 427 C ARG A 32 -2.862 11.764 -11.459 1.00 0.00 C ATOM 428 O ARG A 32 -3.844 12.376 -11.875 1.00 0.00 O ATOM 429 CB ARG A 32 -0.592 11.874 -12.485 1.00 0.00 C ATOM 430 CG ARG A 32 0.843 12.400 -12.561 1.00 0.00 C ATOM 431 CD ARG A 32 0.934 13.758 -13.240 1.00 0.00 C ATOM 432 NE ARG A 32 0.799 14.874 -12.301 1.00 0.00 N ATOM 433 CZ ARG A 32 0.696 16.169 -12.642 1.00 0.00 C ATOM 434 NH1 ARG A 32 0.747 16.539 -13.921 1.00 0.00 N ATOM 435 NH2 ARG A 32 0.582 17.092 -11.698 1.00 0.00 N ATOM 0 H ARG A 32 -1.231 11.230 -9.716 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.562 13.523 -11.481 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.550 10.791 -12.370 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.077 12.074 -13.441 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.253 12.474 -11.554 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.460 11.684 -13.104 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.891 13.837 -13.756 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.155 13.832 -13.999 1.00 0.00 H new ATOM 0 HE ARG A 32 0.782 14.649 -11.306 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.865 15.836 -14.651 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.668 17.525 -14.170 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.573 16.818 -10.715 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.504 18.076 -11.954 1.00 0.00 H new ATOM 449 N ASN A 33 -2.920 10.498 -11.028 1.00 0.00 N ATOM 450 CA ASN A 33 -4.125 9.687 -11.160 1.00 0.00 C ATOM 451 C ASN A 33 -5.148 9.886 -10.034 1.00 0.00 C ATOM 452 O ASN A 33 -4.839 9.760 -8.850 1.00 0.00 O ATOM 453 CB ASN A 33 -3.813 8.164 -11.375 1.00 0.00 C ATOM 454 CG ASN A 33 -2.996 7.455 -10.262 1.00 0.00 C ATOM 455 OD1 ASN A 33 -2.976 7.857 -9.103 1.00 0.00 O ATOM 456 ND2 ASN A 33 -2.356 6.373 -10.611 1.00 0.00 N ATOM 0 H ASN A 33 -2.139 10.016 -10.583 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.598 10.063 -12.067 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.760 7.636 -11.491 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.271 8.057 -12.315 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.828 5.846 -9.915 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.384 6.054 -11.579 1.00 0.00 H new ATOM 463 N PRO A 34 -6.379 10.232 -10.397 1.00 0.00 N ATOM 464 CA PRO A 34 -7.475 10.322 -9.458 1.00 0.00 C ATOM 465 C PRO A 34 -8.154 8.943 -9.291 1.00 0.00 C ATOM 466 O PRO A 34 -8.856 8.457 -10.190 1.00 0.00 O ATOM 467 CB PRO A 34 -8.420 11.331 -10.120 1.00 0.00 C ATOM 468 CG PRO A 34 -8.156 11.228 -11.591 1.00 0.00 C ATOM 469 CD PRO A 34 -6.790 10.608 -11.763 1.00 0.00 C ATOM 0 HA PRO A 34 -7.169 10.626 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.461 11.101 -9.892 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.230 12.341 -9.758 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.918 10.618 -12.076 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.192 12.213 -12.057 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.829 9.738 -12.419 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.088 11.313 -12.209 1.00 0.00 H new ATOM 477 N LYS A 35 -7.921 8.312 -8.172 1.00 0.00 N ATOM 478 CA LYS A 35 -8.460 6.989 -7.899 1.00 0.00 C ATOM 479 C LYS A 35 -9.419 7.076 -6.742 1.00 0.00 C ATOM 480 O LYS A 35 -8.989 7.178 -5.584 1.00 0.00 O ATOM 481 CB LYS A 35 -7.342 6.017 -7.522 1.00 0.00 C ATOM 482 CG LYS A 35 -6.120 6.069 -8.415 1.00 0.00 C ATOM 483 CD LYS A 35 -4.890 5.539 -7.693 1.00 0.00 C ATOM 484 CE LYS A 35 -4.550 6.369 -6.447 1.00 0.00 C ATOM 485 NZ LYS A 35 -4.429 7.823 -6.746 1.00 0.00 N ATOM 0 H LYS A 35 -7.352 8.694 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.964 6.630 -8.796 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.033 6.222 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.742 5.003 -7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.298 5.481 -9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.943 7.096 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.059 4.502 -7.402 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.040 5.544 -8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.323 6.220 -5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.614 6.010 -6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.748 8.257 -6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.098 7.950 -7.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.357 8.279 -6.633 1.00 0.00 H new ATOM 499 N ALA A 36 -10.690 7.054 -7.035 1.00 0.00 N ATOM 500 CA ALA A 36 -11.697 7.127 -6.010 1.00 0.00 C ATOM 501 C ALA A 36 -11.871 5.772 -5.353 1.00 0.00 C ATOM 502 O ALA A 36 -12.514 4.873 -5.900 1.00 0.00 O ATOM 503 CB ALA A 36 -13.017 7.625 -6.583 1.00 0.00 C ATOM 0 H ALA A 36 -11.056 6.985 -7.984 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.372 7.840 -5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.763 7.672 -5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.877 8.619 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.357 6.941 -7.361 1.00 0.00 H new ATOM 509 N CYS A 37 -11.252 5.616 -4.227 1.00 0.00 N ATOM 510 CA CYS A 37 -11.349 4.407 -3.462 1.00 0.00 C ATOM 511 C CYS A 37 -12.046 4.715 -2.155 1.00 0.00 C ATOM 512 O CYS A 37 -11.641 5.629 -1.421 1.00 0.00 O ATOM 513 CB CYS A 37 -9.955 3.799 -3.240 1.00 0.00 C ATOM 514 SG CYS A 37 -9.202 3.101 -4.762 1.00 0.00 S ATOM 0 H CYS A 37 -10.658 6.330 -3.805 1.00 0.00 H new ATOM 0 HA CYS A 37 -11.935 3.664 -4.004 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -9.294 4.566 -2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.027 3.013 -2.488 1.00 0.00 H new ATOM 519 N THR A 38 -13.117 3.993 -1.886 1.00 0.00 N ATOM 520 CA THR A 38 -13.940 4.222 -0.725 1.00 0.00 C ATOM 521 C THR A 38 -13.234 3.820 0.563 1.00 0.00 C ATOM 522 O THR A 38 -13.297 4.540 1.567 1.00 0.00 O ATOM 523 CB THR A 38 -15.239 3.443 -0.869 1.00 0.00 C ATOM 524 OG1 THR A 38 -14.967 2.259 -1.636 1.00 0.00 O ATOM 525 CG2 THR A 38 -16.288 4.279 -1.583 1.00 0.00 C ATOM 0 H THR A 38 -13.439 3.225 -2.476 1.00 0.00 H new ATOM 0 HA THR A 38 -14.147 5.290 -0.663 1.00 0.00 H new ATOM 0 HB THR A 38 -15.622 3.185 0.118 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.173 2.426 -2.579 1.00 0.00 H new ATOM 0 HG21 THR A 38 -17.210 3.704 -1.676 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.482 5.186 -1.010 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.926 4.547 -2.575 1.00 0.00 H new ATOM 533 N LEU A 39 -12.562 2.694 0.530 1.00 0.00 N ATOM 534 CA LEU A 39 -11.853 2.189 1.687 1.00 0.00 C ATOM 535 C LEU A 39 -10.799 1.215 1.212 1.00 0.00 C ATOM 536 O LEU A 39 -9.610 1.479 1.344 1.00 0.00 O ATOM 537 CB LEU A 39 -12.846 1.510 2.654 1.00 0.00 C ATOM 538 CG LEU A 39 -12.394 1.353 4.110 1.00 0.00 C ATOM 539 CD1 LEU A 39 -11.986 2.695 4.700 1.00 0.00 C ATOM 540 CD2 LEU A 39 -13.507 0.734 4.942 1.00 0.00 C ATOM 0 H LEU A 39 -12.490 2.101 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.370 3.004 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.773 2.083 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.079 0.520 2.262 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.527 0.693 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.669 2.557 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.162 3.112 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.834 3.379 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.174 0.628 5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.386 1.377 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.760 -0.247 4.539 1.00 0.00 H new ATOM 552 N ASN A 40 -11.256 0.119 0.636 1.00 0.00 N ATOM 553 CA ASN A 40 -10.396 -0.917 0.038 1.00 0.00 C ATOM 554 C ASN A 40 -9.464 -1.552 1.063 1.00 0.00 C ATOM 555 O ASN A 40 -8.249 -1.666 0.814 1.00 0.00 O ATOM 556 CB ASN A 40 -9.558 -0.376 -1.139 1.00 0.00 C ATOM 557 CG ASN A 40 -10.355 0.033 -2.359 1.00 0.00 C ATOM 558 OD1 ASN A 40 -11.361 0.749 -2.266 1.00 0.00 O ATOM 559 ND2 ASN A 40 -9.938 -0.442 -3.507 1.00 0.00 N ATOM 0 H ASN A 40 -12.251 -0.092 0.563 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.078 -1.679 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.986 0.485 -0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.838 -1.140 -1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.447 -0.225 -4.364 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.104 -1.029 -3.544 1.00 0.00 H new ATOM 566 N CYS A 41 -10.016 -1.968 2.199 1.00 0.00 N ATOM 567 CA CYS A 41 -9.229 -2.619 3.250 1.00 0.00 C ATOM 568 C CYS A 41 -8.552 -3.861 2.679 1.00 0.00 C ATOM 569 O CYS A 41 -9.215 -4.738 2.117 1.00 0.00 O ATOM 570 CB CYS A 41 -10.122 -2.993 4.449 1.00 0.00 C ATOM 571 SG CYS A 41 -10.958 -1.565 5.230 1.00 0.00 S ATOM 0 H CYS A 41 -11.007 -1.867 2.419 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.467 -1.925 3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -10.877 -3.706 4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.513 -3.499 5.198 1.00 0.00 H new ATOM 576 N ASP A 42 -7.248 -3.903 2.738 1.00 0.00 N ATOM 577 CA ASP A 42 -6.512 -5.001 2.176 1.00 0.00 C ATOM 578 C ASP A 42 -5.786 -5.736 3.275 1.00 0.00 C ATOM 579 O ASP A 42 -4.737 -5.309 3.720 1.00 0.00 O ATOM 580 CB ASP A 42 -5.527 -4.488 1.138 1.00 0.00 C ATOM 581 CG ASP A 42 -5.217 -5.514 0.087 1.00 0.00 C ATOM 582 OD1 ASP A 42 -6.026 -5.663 -0.873 1.00 0.00 O ATOM 583 OD2 ASP A 42 -4.168 -6.158 0.167 1.00 0.00 O ATOM 0 H ASP A 42 -6.671 -3.183 3.173 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.202 -5.689 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.936 -3.597 0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.603 -4.189 1.634 1.00 0.00 H new ATOM 588 N PRO A 43 -6.332 -6.867 3.724 1.00 0.00 N ATOM 589 CA PRO A 43 -5.787 -7.618 4.864 1.00 0.00 C ATOM 590 C PRO A 43 -4.431 -8.279 4.584 1.00 0.00 C ATOM 591 O PRO A 43 -3.803 -8.852 5.487 1.00 0.00 O ATOM 592 CB PRO A 43 -6.856 -8.678 5.140 1.00 0.00 C ATOM 593 CG PRO A 43 -7.571 -8.847 3.846 1.00 0.00 C ATOM 594 CD PRO A 43 -7.539 -7.510 3.164 1.00 0.00 C ATOM 0 HA PRO A 43 -5.586 -6.955 5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.407 -9.615 5.469 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.537 -8.357 5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.088 -9.607 3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.598 -9.175 4.010 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.473 -7.613 2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.437 -6.930 3.375 1.00 0.00 H new ATOM 602 N ARG A 44 -3.989 -8.214 3.356 1.00 0.00 N ATOM 603 CA ARG A 44 -2.745 -8.823 2.966 1.00 0.00 C ATOM 604 C ARG A 44 -1.574 -7.858 3.110 1.00 0.00 C ATOM 605 O ARG A 44 -0.447 -8.287 3.300 1.00 0.00 O ATOM 606 CB ARG A 44 -2.847 -9.339 1.548 1.00 0.00 C ATOM 607 CG ARG A 44 -2.393 -10.781 1.365 1.00 0.00 C ATOM 608 CD ARG A 44 -3.155 -11.465 0.231 1.00 0.00 C ATOM 609 NE ARG A 44 -3.039 -10.740 -1.046 1.00 0.00 N ATOM 610 CZ ARG A 44 -3.957 -9.881 -1.537 1.00 0.00 C ATOM 611 NH1 ARG A 44 -5.121 -9.709 -0.911 1.00 0.00 N ATOM 612 NH2 ARG A 44 -3.708 -9.231 -2.660 1.00 0.00 N ATOM 0 H ARG A 44 -4.480 -7.738 2.599 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.553 -9.661 3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.882 -9.253 1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.250 -8.699 0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.324 -10.803 1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.545 -11.333 2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.777 -12.480 0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.207 -11.548 0.503 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.199 -10.900 -1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.322 -10.228 -0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.811 -9.058 -1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.826 -9.380 -3.151 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.398 -8.580 -3.036 1.00 0.00 H new ATOM 626 N ILE A 45 -1.846 -6.566 3.043 1.00 0.00 N ATOM 627 CA ILE A 45 -0.784 -5.573 3.112 1.00 0.00 C ATOM 628 C ILE A 45 -0.488 -5.179 4.572 1.00 0.00 C ATOM 629 O ILE A 45 -1.370 -5.201 5.436 1.00 0.00 O ATOM 630 CB ILE A 45 -1.142 -4.297 2.263 1.00 0.00 C ATOM 631 CG1 ILE A 45 0.055 -3.328 2.169 1.00 0.00 C ATOM 632 CG2 ILE A 45 -2.370 -3.587 2.815 1.00 0.00 C ATOM 633 CD1 ILE A 45 -0.281 -1.961 1.590 1.00 0.00 C ATOM 0 H ILE A 45 -2.785 -6.181 2.942 1.00 0.00 H new ATOM 0 HA ILE A 45 0.114 -6.024 2.689 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.378 -4.637 1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.475 -3.193 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.830 -3.787 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.589 -2.711 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.223 -4.266 2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.179 -3.276 3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.619 -1.347 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.671 -2.080 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.032 -1.476 2.214 1.00 0.00 H new ATOM 645 N ALA A 46 0.759 -4.872 4.849 1.00 0.00 N ATOM 646 CA ALA A 46 1.133 -4.392 6.149 1.00 0.00 C ATOM 647 C ALA A 46 1.238 -2.889 6.102 1.00 0.00 C ATOM 648 O ALA A 46 0.656 -2.189 6.923 1.00 0.00 O ATOM 649 CB ALA A 46 2.446 -4.999 6.594 1.00 0.00 C ATOM 0 H ALA A 46 1.530 -4.948 4.185 1.00 0.00 H new ATOM 0 HA ALA A 46 0.372 -4.686 6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.706 -4.619 7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.349 -6.084 6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.229 -4.732 5.884 1.00 0.00 H new ATOM 655 N TYR A 47 1.983 -2.403 5.124 1.00 0.00 N ATOM 656 CA TYR A 47 2.201 -0.984 4.908 1.00 0.00 C ATOM 657 C TYR A 47 2.929 -0.785 3.593 1.00 0.00 C ATOM 658 O TYR A 47 3.295 -1.769 2.924 1.00 0.00 O ATOM 659 CB TYR A 47 2.996 -0.321 6.080 1.00 0.00 C ATOM 660 CG TYR A 47 4.194 -1.101 6.645 1.00 0.00 C ATOM 661 CD1 TYR A 47 5.003 -1.903 5.846 1.00 0.00 C ATOM 662 CD2 TYR A 47 4.506 -1.014 7.993 1.00 0.00 C ATOM 663 CE1 TYR A 47 6.077 -2.587 6.376 1.00 0.00 C ATOM 664 CE2 TYR A 47 5.585 -1.694 8.527 1.00 0.00 C ATOM 665 CZ TYR A 47 6.365 -2.479 7.711 1.00 0.00 C ATOM 666 OH TYR A 47 7.443 -3.161 8.238 1.00 0.00 O ATOM 0 H TYR A 47 2.462 -2.995 4.446 1.00 0.00 H new ATOM 0 HA TYR A 47 1.228 -0.494 4.872 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.356 0.649 5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.299 -0.133 6.897 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.786 -1.991 4.792 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.894 -0.403 8.639 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.690 -3.207 5.739 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.814 -1.609 9.579 1.00 0.00 H new ATOM 0 HH TYR A 47 7.509 -2.976 9.198 1.00 0.00 H new ATOM 676 N GLY A 48 3.114 0.447 3.210 1.00 0.00 N ATOM 677 CA GLY A 48 3.853 0.736 2.022 1.00 0.00 C ATOM 678 C GLY A 48 5.293 1.000 2.364 1.00 0.00 C ATOM 679 O GLY A 48 5.592 1.883 3.182 1.00 0.00 O ATOM 0 H GLY A 48 2.761 1.265 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.783 -0.101 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.425 1.603 1.520 1.00 0.00 H new ATOM 683 N VAL A 49 6.178 0.231 1.796 1.00 0.00 N ATOM 684 CA VAL A 49 7.588 0.379 2.041 1.00 0.00 C ATOM 685 C VAL A 49 8.264 1.049 0.859 1.00 0.00 C ATOM 686 O VAL A 49 8.424 0.449 -0.205 1.00 0.00 O ATOM 687 CB VAL A 49 8.291 -0.994 2.351 1.00 0.00 C ATOM 688 CG1 VAL A 49 9.813 -0.862 2.358 1.00 0.00 C ATOM 689 CG2 VAL A 49 7.836 -1.525 3.688 1.00 0.00 C ATOM 0 H VAL A 49 5.943 -0.520 1.147 1.00 0.00 H new ATOM 0 HA VAL A 49 7.691 1.007 2.926 1.00 0.00 H new ATOM 0 HB VAL A 49 8.008 -1.687 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.261 -1.831 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.153 -0.516 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.112 -0.144 3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.330 -2.475 3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.092 -0.810 4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.756 -1.674 3.672 1.00 0.00 H new ATOM 699 N CYS A 50 8.576 2.302 1.014 1.00 0.00 N ATOM 700 CA CYS A 50 9.387 2.994 0.050 1.00 0.00 C ATOM 701 C CYS A 50 10.826 2.596 0.351 1.00 0.00 C ATOM 702 O CYS A 50 11.335 2.919 1.435 1.00 0.00 O ATOM 703 CB CYS A 50 9.191 4.515 0.161 1.00 0.00 C ATOM 704 SG CYS A 50 7.700 5.165 -0.690 1.00 0.00 S ATOM 0 H CYS A 50 8.279 2.872 1.806 1.00 0.00 H new ATOM 0 HA CYS A 50 9.112 2.727 -0.970 1.00 0.00 H new ATOM 0 HB2 CYS A 50 9.136 4.784 1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.071 5.011 -0.249 1.00 0.00 H new ATOM 709 N PRO A 51 11.464 1.840 -0.574 1.00 0.00 N ATOM 710 CA PRO A 51 12.789 1.221 -0.372 1.00 0.00 C ATOM 711 C PRO A 51 13.842 2.166 0.184 1.00 0.00 C ATOM 712 O PRO A 51 14.273 3.115 -0.491 1.00 0.00 O ATOM 713 CB PRO A 51 13.176 0.759 -1.775 1.00 0.00 C ATOM 714 CG PRO A 51 11.881 0.506 -2.445 1.00 0.00 C ATOM 715 CD PRO A 51 10.949 1.554 -1.928 1.00 0.00 C ATOM 0 HA PRO A 51 12.737 0.425 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.754 1.520 -2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.790 -0.141 -1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.981 0.571 -3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.511 -0.494 -2.218 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.958 2.444 -2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.920 1.196 -1.898 1.00 0.00 H new ATOM 723 N ARG A 52 14.235 1.920 1.414 1.00 0.00 N ATOM 724 CA ARG A 52 15.255 2.706 2.058 1.00 0.00 C ATOM 725 C ARG A 52 16.605 2.205 1.580 1.00 0.00 C ATOM 726 O ARG A 52 17.386 2.938 0.965 1.00 0.00 O ATOM 727 CB ARG A 52 15.149 2.568 3.573 1.00 0.00 C ATOM 728 CG ARG A 52 15.609 3.791 4.331 1.00 0.00 C ATOM 729 CD ARG A 52 16.273 3.414 5.639 1.00 0.00 C ATOM 730 NE ARG A 52 17.630 2.893 5.430 1.00 0.00 N ATOM 731 CZ ARG A 52 18.088 1.704 5.875 1.00 0.00 C ATOM 732 NH1 ARG A 52 17.256 0.826 6.442 1.00 0.00 N ATOM 733 NH2 ARG A 52 19.372 1.392 5.726 1.00 0.00 N ATOM 0 H ARG A 52 13.855 1.170 1.992 1.00 0.00 H new ATOM 0 HA ARG A 52 15.133 3.759 1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.113 2.357 3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.741 1.710 3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 52 16.308 4.360 3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.756 4.441 4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.315 4.287 6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 52 15.670 2.663 6.150 1.00 0.00 H new ATOM 0 HE ARG A 52 18.280 3.478 4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 52 16.266 1.052 6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 52 17.610 -0.070 6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 52 20.008 2.051 5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.721 0.494 6.061 1.00 0.00 H new ATOM 747 N SER A 53 16.863 0.958 1.857 1.00 0.00 N ATOM 748 CA SER A 53 18.040 0.273 1.423 1.00 0.00 C ATOM 749 C SER A 53 17.699 -1.200 1.372 1.00 0.00 C ATOM 750 O SER A 53 17.612 -1.761 0.274 1.00 0.00 O ATOM 751 CB SER A 53 19.219 0.535 2.374 1.00 0.00 C ATOM 752 OG SER A 53 19.494 1.938 2.477 1.00 0.00 O ATOM 753 OXT SER A 53 17.393 -1.779 2.433 1.00 0.00 O ATOM 0 H SER A 53 16.236 0.374 2.410 1.00 0.00 H new ATOM 0 HA SER A 53 18.351 0.631 0.442 1.00 0.00 H new ATOM 0 HB2 SER A 53 18.991 0.132 3.361 1.00 0.00 H new ATOM 0 HB3 SER A 53 20.105 0.013 2.013 1.00 0.00 H new ATOM 0 HG SER A 53 20.247 2.080 3.088 1.00 0.00 H new TER 759 SER A 53