USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=11 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 29 SER OG : rot -169:sc= -0.706 USER MOD Set 1.2: A 33 ASN : amide:sc= 0.611 K(o=-0.095,f=-7.1!) USER MOD Single : A 1 ASP N :NH3+ 133:sc= 0.0185 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 6 ASN : amide:sc= 0.732 K(o=0.73,f=-5.9!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= 0.978 (180deg=-0.0112) USER MOD Single : A 16 TYR OH : rot 80:sc= 0.349 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 92:sc= 1.19 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.229 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -2.044 -1.176 12.484 1.00 0.00 N ATOM 2 CA ASP A 1 -3.341 -0.961 13.110 1.00 0.00 C ATOM 3 C ASP A 1 -4.188 -0.146 12.153 1.00 0.00 C ATOM 4 O ASP A 1 -3.704 0.850 11.612 1.00 0.00 O ATOM 5 CB ASP A 1 -3.167 -0.212 14.442 1.00 0.00 C ATOM 6 CG ASP A 1 -4.349 -0.370 15.374 1.00 0.00 C ATOM 7 OD1 ASP A 1 -5.422 0.165 15.099 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.214 -1.031 16.432 1.00 0.00 O ATOM 0 H1 ASP A 1 -1.289 -0.969 13.169 1.00 0.00 H new ATOM 0 H2 ASP A 1 -1.968 -2.166 12.174 1.00 0.00 H new ATOM 0 H3 ASP A 1 -1.947 -0.547 11.661 1.00 0.00 H new ATOM 0 HA ASP A 1 -3.825 -1.914 13.322 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -2.268 -0.575 14.941 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -3.012 0.848 14.238 1.00 0.00 H new ATOM 15 N ARG A 2 -5.430 -0.584 11.912 1.00 0.00 N ATOM 16 CA ARG A 2 -6.383 0.104 11.016 1.00 0.00 C ATOM 17 C ARG A 2 -5.866 0.172 9.571 1.00 0.00 C ATOM 18 O ARG A 2 -5.720 1.265 9.005 1.00 0.00 O ATOM 19 CB ARG A 2 -6.711 1.529 11.523 1.00 0.00 C ATOM 20 CG ARG A 2 -7.131 1.595 12.975 1.00 0.00 C ATOM 21 CD ARG A 2 -8.474 0.957 13.195 1.00 0.00 C ATOM 22 NE ARG A 2 -9.571 1.865 12.872 1.00 0.00 N ATOM 23 CZ ARG A 2 -10.854 1.510 12.831 1.00 0.00 C ATOM 24 NH1 ARG A 2 -11.194 0.230 12.944 1.00 0.00 N ATOM 25 NH2 ARG A 2 -11.795 2.424 12.659 1.00 0.00 N ATOM 0 H ARG A 2 -5.810 -1.432 12.334 1.00 0.00 H new ATOM 0 HA ARG A 2 -7.297 -0.490 11.024 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.835 2.162 11.382 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.508 1.946 10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.385 1.095 13.593 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.165 2.636 13.297 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.554 0.060 12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.559 0.641 14.235 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.339 2.836 12.664 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.472 -0.481 13.062 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.177 -0.041 12.913 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.539 3.406 12.557 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.776 2.146 12.628 1.00 0.00 H new ATOM 39 N ILE A 3 -5.583 -0.973 8.981 1.00 0.00 N ATOM 40 CA ILE A 3 -5.095 -1.008 7.614 1.00 0.00 C ATOM 41 C ILE A 3 -6.225 -0.683 6.609 1.00 0.00 C ATOM 42 O ILE A 3 -7.083 -1.521 6.280 1.00 0.00 O ATOM 43 CB ILE A 3 -4.359 -2.353 7.271 1.00 0.00 C ATOM 44 CG1 ILE A 3 -3.812 -2.352 5.840 1.00 0.00 C ATOM 45 CG2 ILE A 3 -5.220 -3.581 7.527 1.00 0.00 C ATOM 46 CD1 ILE A 3 -2.618 -1.447 5.638 1.00 0.00 C ATOM 0 H ILE A 3 -5.681 -1.887 9.423 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.342 -0.225 7.522 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.513 -2.415 7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.533 -3.370 5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.606 -2.046 5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.658 -4.479 7.272 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.501 -3.616 8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.119 -3.529 6.913 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.291 -1.503 4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.895 -0.420 5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.806 -1.765 6.292 1.00 0.00 H new ATOM 58 N CYS A 4 -6.257 0.545 6.170 1.00 0.00 N ATOM 59 CA CYS A 4 -7.255 0.990 5.244 1.00 0.00 C ATOM 60 C CYS A 4 -6.646 1.524 3.989 1.00 0.00 C ATOM 61 O CYS A 4 -7.263 2.265 3.231 1.00 0.00 O ATOM 62 CB CYS A 4 -8.201 1.983 5.885 1.00 0.00 C ATOM 63 SG CYS A 4 -9.650 1.204 6.660 1.00 0.00 S ATOM 0 H CYS A 4 -5.589 1.265 6.446 1.00 0.00 H new ATOM 0 HA CYS A 4 -7.848 0.121 4.960 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -7.659 2.555 6.638 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -8.540 2.691 5.129 1.00 0.00 H new ATOM 68 N THR A 5 -5.467 1.104 3.758 1.00 0.00 N ATOM 69 CA THR A 5 -4.728 1.491 2.604 1.00 0.00 C ATOM 70 C THR A 5 -5.009 0.494 1.484 1.00 0.00 C ATOM 71 O THR A 5 -5.222 -0.688 1.760 1.00 0.00 O ATOM 72 CB THR A 5 -3.236 1.478 2.939 1.00 0.00 C ATOM 73 OG1 THR A 5 -3.074 1.707 4.359 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.495 2.559 2.166 1.00 0.00 C ATOM 0 H THR A 5 -4.967 0.465 4.375 1.00 0.00 H new ATOM 0 HA THR A 5 -5.020 2.492 2.287 1.00 0.00 H new ATOM 0 HB THR A 5 -2.820 0.510 2.659 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.120 1.699 4.585 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.436 2.528 2.422 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.615 2.388 1.096 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.903 3.536 2.425 1.00 0.00 H new ATOM 82 N ASN A 6 -5.070 0.962 0.263 1.00 0.00 N ATOM 83 CA ASN A 6 -5.225 0.084 -0.878 1.00 0.00 C ATOM 84 C ASN A 6 -4.120 0.361 -1.877 1.00 0.00 C ATOM 85 O ASN A 6 -3.605 1.474 -1.958 1.00 0.00 O ATOM 86 CB ASN A 6 -6.630 0.171 -1.533 1.00 0.00 C ATOM 87 CG ASN A 6 -6.903 1.462 -2.286 1.00 0.00 C ATOM 88 OD1 ASN A 6 -6.542 1.603 -3.461 1.00 0.00 O ATOM 89 ND2 ASN A 6 -7.587 2.374 -1.652 1.00 0.00 N ATOM 0 H ASN A 6 -5.015 1.953 0.029 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.142 -0.943 -0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -6.747 -0.666 -2.221 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -7.385 0.053 -0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.843 3.241 -2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.866 2.220 -0.683 1.00 0.00 H new ATOM 96 N CYS A 7 -3.772 -0.649 -2.625 1.00 0.00 N ATOM 97 CA CYS A 7 -2.644 -0.624 -3.542 1.00 0.00 C ATOM 98 C CYS A 7 -3.047 -0.062 -4.904 1.00 0.00 C ATOM 99 O CYS A 7 -2.193 0.321 -5.719 1.00 0.00 O ATOM 100 CB CYS A 7 -2.118 -2.052 -3.688 1.00 0.00 C ATOM 101 SG CYS A 7 -0.508 -2.215 -4.500 1.00 0.00 S ATOM 0 H CYS A 7 -4.271 -1.539 -2.621 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.867 0.028 -3.144 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.051 -2.498 -2.696 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.849 -2.633 -4.250 1.00 0.00 H new ATOM 106 N CYS A 8 -4.343 -0.015 -5.149 1.00 0.00 N ATOM 107 CA CYS A 8 -4.869 0.520 -6.395 1.00 0.00 C ATOM 108 C CYS A 8 -4.564 2.018 -6.455 1.00 0.00 C ATOM 109 O CYS A 8 -4.152 2.564 -7.493 1.00 0.00 O ATOM 110 CB CYS A 8 -6.374 0.271 -6.459 1.00 0.00 C ATOM 111 SG CYS A 8 -7.118 0.509 -8.104 1.00 0.00 S ATOM 0 H CYS A 8 -5.057 -0.343 -4.498 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.402 0.027 -7.248 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.574 -0.749 -6.129 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.869 0.937 -5.752 1.00 0.00 H new ATOM 116 N ALA A 9 -4.787 2.672 -5.344 1.00 0.00 N ATOM 117 CA ALA A 9 -4.409 4.045 -5.181 1.00 0.00 C ATOM 118 C ALA A 9 -2.993 4.093 -4.599 1.00 0.00 C ATOM 119 O ALA A 9 -2.011 3.833 -5.312 1.00 0.00 O ATOM 120 CB ALA A 9 -5.413 4.793 -4.306 1.00 0.00 C ATOM 0 H ALA A 9 -5.238 2.262 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.413 4.548 -6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.100 5.832 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.399 4.756 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.458 4.325 -3.322 1.00 0.00 H new ATOM 126 N GLY A 10 -2.899 4.359 -3.310 1.00 0.00 N ATOM 127 CA GLY A 10 -1.641 4.388 -2.636 1.00 0.00 C ATOM 128 C GLY A 10 -0.706 5.468 -3.134 1.00 0.00 C ATOM 129 O GLY A 10 -1.138 6.552 -3.576 1.00 0.00 O ATOM 0 H GLY A 10 -3.700 4.559 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.814 4.534 -1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.155 3.419 -2.751 1.00 0.00 H new ATOM 133 N THR A 11 0.557 5.209 -3.021 1.00 0.00 N ATOM 134 CA THR A 11 1.570 6.110 -3.462 1.00 0.00 C ATOM 135 C THR A 11 2.748 5.336 -4.035 1.00 0.00 C ATOM 136 O THR A 11 3.440 4.607 -3.306 1.00 0.00 O ATOM 137 CB THR A 11 2.029 7.023 -2.303 1.00 0.00 C ATOM 138 OG1 THR A 11 0.893 7.782 -1.831 1.00 0.00 O ATOM 139 CG2 THR A 11 3.128 7.980 -2.755 1.00 0.00 C ATOM 0 H THR A 11 0.919 4.348 -2.611 1.00 0.00 H new ATOM 0 HA THR A 11 1.155 6.742 -4.247 1.00 0.00 H new ATOM 0 HB THR A 11 2.431 6.400 -1.504 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.172 8.364 -1.094 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.430 8.609 -1.918 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.986 7.408 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.754 8.608 -3.564 1.00 0.00 H new ATOM 147 N LYS A 12 2.914 5.453 -5.345 1.00 0.00 N ATOM 148 CA LYS A 12 4.023 4.861 -6.073 1.00 0.00 C ATOM 149 C LYS A 12 5.340 5.237 -5.416 1.00 0.00 C ATOM 150 O LYS A 12 5.691 6.419 -5.312 1.00 0.00 O ATOM 151 CB LYS A 12 3.996 5.310 -7.543 1.00 0.00 C ATOM 152 CG LYS A 12 5.029 4.623 -8.431 1.00 0.00 C ATOM 153 CD LYS A 12 4.547 4.519 -9.873 1.00 0.00 C ATOM 154 CE LYS A 12 3.549 3.373 -10.051 1.00 0.00 C ATOM 155 NZ LYS A 12 2.918 3.387 -11.387 1.00 0.00 N ATOM 0 H LYS A 12 2.269 5.972 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 12 3.924 3.776 -6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.002 5.121 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.158 6.387 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.965 5.180 -8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.238 3.626 -8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.080 5.458 -10.170 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.401 4.365 -10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.060 2.422 -9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.777 3.443 -9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.250 2.594 -11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.408 4.284 -11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.651 3.293 -12.118 1.00 0.00 H new ATOM 169 N GLY A 13 6.011 4.241 -4.938 1.00 0.00 N ATOM 170 CA GLY A 13 7.234 4.402 -4.239 1.00 0.00 C ATOM 171 C GLY A 13 7.267 3.443 -3.095 1.00 0.00 C ATOM 172 O GLY A 13 8.298 2.829 -2.799 1.00 0.00 O ATOM 0 H GLY A 13 5.712 3.270 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.076 4.221 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.329 5.425 -3.876 1.00 0.00 H new ATOM 176 N CYS A 14 6.126 3.273 -2.478 1.00 0.00 N ATOM 177 CA CYS A 14 5.985 2.365 -1.379 1.00 0.00 C ATOM 178 C CYS A 14 5.229 1.159 -1.837 1.00 0.00 C ATOM 179 O CYS A 14 4.046 1.229 -2.149 1.00 0.00 O ATOM 180 CB CYS A 14 5.298 3.032 -0.194 1.00 0.00 C ATOM 181 SG CYS A 14 6.329 4.301 0.621 1.00 0.00 S ATOM 0 H CYS A 14 5.268 3.764 -2.728 1.00 0.00 H new ATOM 0 HA CYS A 14 6.974 2.059 -1.038 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.370 3.491 -0.533 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.028 2.269 0.537 1.00 0.00 H new ATOM 186 N LYS A 15 5.910 0.059 -1.873 1.00 0.00 N ATOM 187 CA LYS A 15 5.363 -1.151 -2.384 1.00 0.00 C ATOM 188 C LYS A 15 4.646 -1.885 -1.290 1.00 0.00 C ATOM 189 O LYS A 15 5.253 -2.318 -0.307 1.00 0.00 O ATOM 190 CB LYS A 15 6.474 -1.979 -3.005 1.00 0.00 C ATOM 191 CG LYS A 15 7.068 -1.310 -4.233 1.00 0.00 C ATOM 192 CD LYS A 15 8.462 -1.808 -4.541 1.00 0.00 C ATOM 193 CE LYS A 15 9.071 -1.033 -5.701 1.00 0.00 C ATOM 194 NZ LYS A 15 9.000 0.435 -5.492 1.00 0.00 N ATOM 0 H LYS A 15 6.872 -0.023 -1.544 1.00 0.00 H new ATOM 0 HA LYS A 15 4.631 -0.940 -3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.259 -2.143 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.085 -2.959 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.422 -1.492 -5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.096 -0.231 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.093 -1.705 -3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.428 -2.870 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.112 -1.330 -5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.550 -1.293 -6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.611 0.914 -6.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.019 0.756 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.320 0.665 -4.530 1.00 0.00 H new ATOM 208 N TYR A 16 3.358 -1.972 -1.440 1.00 0.00 N ATOM 209 CA TYR A 16 2.497 -2.581 -0.475 1.00 0.00 C ATOM 210 C TYR A 16 2.787 -4.052 -0.377 1.00 0.00 C ATOM 211 O TYR A 16 2.761 -4.802 -1.376 1.00 0.00 O ATOM 212 CB TYR A 16 1.044 -2.233 -0.771 1.00 0.00 C ATOM 213 CG TYR A 16 0.875 -0.729 -0.782 1.00 0.00 C ATOM 214 CD1 TYR A 16 0.946 -0.002 0.400 1.00 0.00 C ATOM 215 CD2 TYR A 16 0.717 -0.031 -1.970 1.00 0.00 C ATOM 216 CE1 TYR A 16 0.867 1.373 0.397 1.00 0.00 C ATOM 217 CE2 TYR A 16 0.624 1.345 -1.979 1.00 0.00 C ATOM 218 CZ TYR A 16 0.705 2.041 -0.794 1.00 0.00 C ATOM 219 OH TYR A 16 0.644 3.415 -0.802 1.00 0.00 O ATOM 0 H TYR A 16 2.866 -1.612 -2.258 1.00 0.00 H new ATOM 0 HA TYR A 16 2.693 -2.180 0.519 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.749 -2.649 -1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.392 -2.677 -0.018 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.065 -0.524 1.338 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.666 -0.573 -2.903 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.932 1.923 1.324 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.488 1.874 -2.911 1.00 0.00 H new ATOM 0 HH TYR A 16 1.550 3.783 -0.744 1.00 0.00 H new ATOM 229 N PHE A 17 3.088 -4.443 0.814 1.00 0.00 N ATOM 230 CA PHE A 17 3.663 -5.695 1.099 1.00 0.00 C ATOM 231 C PHE A 17 2.844 -6.457 2.113 1.00 0.00 C ATOM 232 O PHE A 17 2.113 -5.880 2.952 1.00 0.00 O ATOM 233 CB PHE A 17 5.065 -5.370 1.607 1.00 0.00 C ATOM 234 CG PHE A 17 5.980 -6.455 2.038 1.00 0.00 C ATOM 235 CD1 PHE A 17 6.009 -6.886 3.348 1.00 0.00 C ATOM 236 CD2 PHE A 17 6.876 -6.988 1.141 1.00 0.00 C ATOM 237 CE1 PHE A 17 6.913 -7.838 3.753 1.00 0.00 C ATOM 238 CE2 PHE A 17 7.774 -7.942 1.532 1.00 0.00 C ATOM 239 CZ PHE A 17 7.795 -8.369 2.845 1.00 0.00 C ATOM 0 H PHE A 17 2.930 -3.870 1.643 1.00 0.00 H new ATOM 0 HA PHE A 17 3.698 -6.346 0.226 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.573 -4.816 0.818 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.952 -4.690 2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.314 -6.471 4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.870 -6.649 0.116 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.930 -8.167 4.781 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.465 -8.361 0.816 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.505 -9.120 3.157 1.00 0.00 H new ATOM 249 N SER A 18 2.964 -7.721 2.008 1.00 0.00 N ATOM 250 CA SER A 18 2.317 -8.671 2.847 1.00 0.00 C ATOM 251 C SER A 18 3.395 -9.223 3.783 1.00 0.00 C ATOM 252 O SER A 18 4.429 -9.722 3.312 1.00 0.00 O ATOM 253 CB SER A 18 1.744 -9.762 1.953 1.00 0.00 C ATOM 254 OG SER A 18 0.579 -10.338 2.490 1.00 0.00 O ATOM 0 H SER A 18 3.549 -8.156 1.295 1.00 0.00 H new ATOM 0 HA SER A 18 1.504 -8.245 3.435 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.520 -9.344 0.972 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.495 -10.538 1.805 1.00 0.00 H new ATOM 0 HG SER A 18 0.246 -11.031 1.882 1.00 0.00 H new ATOM 260 N ASP A 19 3.131 -9.173 5.080 1.00 0.00 N ATOM 261 CA ASP A 19 4.141 -9.407 6.148 1.00 0.00 C ATOM 262 C ASP A 19 4.801 -10.788 6.145 1.00 0.00 C ATOM 263 O ASP A 19 5.823 -10.982 6.805 1.00 0.00 O ATOM 264 CB ASP A 19 3.583 -9.073 7.544 1.00 0.00 C ATOM 265 CG ASP A 19 2.831 -10.213 8.201 1.00 0.00 C ATOM 266 OD1 ASP A 19 1.888 -10.768 7.589 1.00 0.00 O ATOM 267 OD2 ASP A 19 3.144 -10.551 9.364 1.00 0.00 O ATOM 0 H ASP A 19 2.201 -8.967 5.445 1.00 0.00 H new ATOM 0 HA ASP A 19 4.944 -8.712 5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.408 -8.776 8.191 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.918 -8.214 7.461 1.00 0.00 H new ATOM 272 N ASP A 20 4.249 -11.740 5.421 1.00 0.00 N ATOM 273 CA ASP A 20 4.896 -13.053 5.312 1.00 0.00 C ATOM 274 C ASP A 20 6.114 -12.969 4.388 1.00 0.00 C ATOM 275 O ASP A 20 7.003 -13.818 4.435 1.00 0.00 O ATOM 276 CB ASP A 20 3.926 -14.154 4.824 1.00 0.00 C ATOM 277 CG ASP A 20 3.832 -14.277 3.310 1.00 0.00 C ATOM 278 OD1 ASP A 20 3.071 -13.504 2.681 1.00 0.00 O ATOM 279 OD2 ASP A 20 4.488 -15.158 2.724 1.00 0.00 O ATOM 0 H ASP A 20 3.374 -11.645 4.906 1.00 0.00 H new ATOM 0 HA ASP A 20 5.219 -13.335 6.314 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.244 -15.112 5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.932 -13.950 5.223 1.00 0.00 H new ATOM 284 N GLY A 21 6.168 -11.924 3.585 1.00 0.00 N ATOM 285 CA GLY A 21 7.263 -11.759 2.660 1.00 0.00 C ATOM 286 C GLY A 21 6.782 -11.544 1.246 1.00 0.00 C ATOM 287 O GLY A 21 7.580 -11.406 0.320 1.00 0.00 O ATOM 0 H GLY A 21 5.468 -11.182 3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.873 -10.910 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.903 -12.641 2.695 1.00 0.00 H new ATOM 291 N THR A 22 5.487 -11.476 1.084 1.00 0.00 N ATOM 292 CA THR A 22 4.893 -11.326 -0.217 1.00 0.00 C ATOM 293 C THR A 22 4.871 -9.862 -0.663 1.00 0.00 C ATOM 294 O THR A 22 4.273 -9.004 -0.002 1.00 0.00 O ATOM 295 CB THR A 22 3.448 -11.896 -0.223 1.00 0.00 C ATOM 296 OG1 THR A 22 3.476 -13.295 0.097 1.00 0.00 O ATOM 297 CG2 THR A 22 2.762 -11.696 -1.572 1.00 0.00 C ATOM 0 H THR A 22 4.815 -11.523 1.850 1.00 0.00 H new ATOM 0 HA THR A 22 5.507 -11.887 -0.921 1.00 0.00 H new ATOM 0 HB THR A 22 2.876 -11.351 0.528 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.361 -13.412 1.063 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.754 -12.109 -1.532 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.709 -10.631 -1.799 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.332 -12.205 -2.349 1.00 0.00 H new ATOM 305 N PHE A 23 5.563 -9.570 -1.731 1.00 0.00 N ATOM 306 CA PHE A 23 5.441 -8.296 -2.363 1.00 0.00 C ATOM 307 C PHE A 23 4.127 -8.327 -3.121 1.00 0.00 C ATOM 308 O PHE A 23 3.925 -9.196 -3.975 1.00 0.00 O ATOM 309 CB PHE A 23 6.625 -8.091 -3.318 1.00 0.00 C ATOM 310 CG PHE A 23 6.416 -7.038 -4.383 1.00 0.00 C ATOM 311 CD1 PHE A 23 6.362 -5.695 -4.063 1.00 0.00 C ATOM 312 CD2 PHE A 23 6.263 -7.411 -5.713 1.00 0.00 C ATOM 313 CE1 PHE A 23 6.161 -4.747 -5.046 1.00 0.00 C ATOM 314 CE2 PHE A 23 6.061 -6.466 -6.696 1.00 0.00 C ATOM 315 CZ PHE A 23 6.012 -5.132 -6.362 1.00 0.00 C ATOM 0 H PHE A 23 6.221 -10.207 -2.180 1.00 0.00 H new ATOM 0 HA PHE A 23 5.451 -7.474 -1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.503 -7.822 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.846 -9.040 -3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.478 -5.384 -3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.303 -8.457 -5.980 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.120 -3.700 -4.784 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.942 -6.772 -7.725 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.857 -4.388 -7.129 1.00 0.00 H new ATOM 325 N VAL A 24 3.224 -7.449 -2.777 1.00 0.00 N ATOM 326 CA VAL A 24 1.947 -7.453 -3.423 1.00 0.00 C ATOM 327 C VAL A 24 2.012 -6.607 -4.675 1.00 0.00 C ATOM 328 O VAL A 24 1.880 -7.125 -5.781 1.00 0.00 O ATOM 329 CB VAL A 24 0.800 -6.964 -2.495 1.00 0.00 C ATOM 330 CG1 VAL A 24 -0.552 -7.206 -3.147 1.00 0.00 C ATOM 331 CG2 VAL A 24 0.860 -7.653 -1.140 1.00 0.00 C ATOM 0 H VAL A 24 3.349 -6.732 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 24 1.715 -8.486 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 24 0.929 -5.893 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.344 -6.858 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.604 -6.662 -4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.679 -8.272 -3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.046 -7.292 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.763 -8.730 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.814 -7.431 -0.661 1.00 0.00 H new ATOM 341 N CYS A 25 2.262 -5.325 -4.516 1.00 0.00 N ATOM 342 CA CYS A 25 2.300 -4.429 -5.656 1.00 0.00 C ATOM 343 C CYS A 25 2.859 -3.077 -5.271 1.00 0.00 C ATOM 344 O CYS A 25 3.114 -2.810 -4.096 1.00 0.00 O ATOM 345 CB CYS A 25 0.890 -4.269 -6.247 1.00 0.00 C ATOM 346 SG CYS A 25 -0.443 -4.171 -5.001 1.00 0.00 S ATOM 0 H CYS A 25 2.441 -4.880 -3.616 1.00 0.00 H new ATOM 0 HA CYS A 25 2.958 -4.865 -6.408 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.866 -3.367 -6.859 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.690 -5.110 -6.911 1.00 0.00 H new ATOM 351 N GLU A 26 3.069 -2.263 -6.261 1.00 0.00 N ATOM 352 CA GLU A 26 3.524 -0.912 -6.112 1.00 0.00 C ATOM 353 C GLU A 26 2.279 -0.027 -6.165 1.00 0.00 C ATOM 354 O GLU A 26 1.283 -0.407 -6.812 1.00 0.00 O ATOM 355 CB GLU A 26 4.485 -0.605 -7.288 1.00 0.00 C ATOM 356 CG GLU A 26 4.871 0.859 -7.485 1.00 0.00 C ATOM 357 CD GLU A 26 5.683 1.421 -6.357 1.00 0.00 C ATOM 358 OE1 GLU A 26 5.121 1.709 -5.305 1.00 0.00 O ATOM 359 OE2 GLU A 26 6.903 1.614 -6.525 1.00 0.00 O ATOM 0 H GLU A 26 2.922 -2.532 -7.234 1.00 0.00 H new ATOM 0 HA GLU A 26 4.057 -0.740 -5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.398 -1.182 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.024 -0.964 -8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.436 0.956 -8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.964 1.453 -7.601 1.00 0.00 H new ATOM 366 N GLY A 27 2.320 1.110 -5.488 1.00 0.00 N ATOM 367 CA GLY A 27 1.188 2.007 -5.474 1.00 0.00 C ATOM 368 C GLY A 27 0.895 2.514 -6.862 1.00 0.00 C ATOM 369 O GLY A 27 1.730 3.165 -7.477 1.00 0.00 O ATOM 0 H GLY A 27 3.123 1.427 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.313 1.491 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.391 2.847 -4.810 1.00 0.00 H new ATOM 373 N GLU A 28 -0.277 2.222 -7.368 1.00 0.00 N ATOM 374 CA GLU A 28 -0.612 2.590 -8.729 1.00 0.00 C ATOM 375 C GLU A 28 -1.023 4.043 -8.883 1.00 0.00 C ATOM 376 O GLU A 28 -1.397 4.471 -9.977 1.00 0.00 O ATOM 377 CB GLU A 28 -1.649 1.662 -9.319 1.00 0.00 C ATOM 378 CG GLU A 28 -1.057 0.393 -9.877 1.00 0.00 C ATOM 379 CD GLU A 28 -2.094 -0.503 -10.466 1.00 0.00 C ATOM 380 OE1 GLU A 28 -2.850 -0.064 -11.357 1.00 0.00 O ATOM 381 OE2 GLU A 28 -2.179 -1.671 -10.048 1.00 0.00 O ATOM 0 H GLU A 28 -1.016 1.732 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 28 0.311 2.476 -9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.380 1.408 -8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.187 2.184 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.320 0.643 -10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.528 -0.138 -9.085 1.00 0.00 H new ATOM 388 N SER A 29 -0.973 4.792 -7.827 1.00 0.00 N ATOM 389 CA SER A 29 -1.235 6.168 -7.895 1.00 0.00 C ATOM 390 C SER A 29 -0.041 6.962 -7.400 1.00 0.00 C ATOM 391 O SER A 29 0.650 6.569 -6.462 1.00 0.00 O ATOM 392 CB SER A 29 -2.476 6.493 -7.102 1.00 0.00 C ATOM 393 OG SER A 29 -3.633 5.957 -7.741 1.00 0.00 O ATOM 0 H SER A 29 -0.746 4.450 -6.893 1.00 0.00 H new ATOM 0 HA SER A 29 -1.409 6.448 -8.934 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.388 6.085 -6.095 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.577 7.574 -7.001 1.00 0.00 H new ATOM 0 HG SER A 29 -4.439 6.319 -7.316 1.00 0.00 H new ATOM 399 N ASP A 30 0.207 8.037 -8.058 1.00 0.00 N ATOM 400 CA ASP A 30 1.247 8.966 -7.710 1.00 0.00 C ATOM 401 C ASP A 30 0.555 10.082 -6.956 1.00 0.00 C ATOM 402 O ASP A 30 -0.604 10.374 -7.253 1.00 0.00 O ATOM 403 CB ASP A 30 1.898 9.508 -9.007 1.00 0.00 C ATOM 404 CG ASP A 30 2.914 10.615 -8.773 1.00 0.00 C ATOM 405 OD1 ASP A 30 2.509 11.769 -8.559 1.00 0.00 O ATOM 406 OD2 ASP A 30 4.141 10.343 -8.810 1.00 0.00 O ATOM 0 H ASP A 30 -0.322 8.313 -8.885 1.00 0.00 H new ATOM 0 HA ASP A 30 2.034 8.510 -7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.387 8.684 -9.528 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.114 9.881 -9.666 1.00 0.00 H new ATOM 411 N PRO A 31 1.214 10.685 -5.942 1.00 0.00 N ATOM 412 CA PRO A 31 0.638 11.772 -5.136 1.00 0.00 C ATOM 413 C PRO A 31 0.035 12.937 -5.946 1.00 0.00 C ATOM 414 O PRO A 31 -0.760 13.699 -5.413 1.00 0.00 O ATOM 415 CB PRO A 31 1.808 12.270 -4.274 1.00 0.00 C ATOM 416 CG PRO A 31 3.021 11.588 -4.805 1.00 0.00 C ATOM 417 CD PRO A 31 2.554 10.330 -5.462 1.00 0.00 C ATOM 0 HA PRO A 31 -0.210 11.393 -4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.908 13.353 -4.339 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.651 12.027 -3.223 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.543 12.226 -5.518 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.724 11.367 -4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.211 10.035 -6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.524 9.496 -4.761 1.00 0.00 H new ATOM 425 N ARG A 32 0.414 13.088 -7.212 1.00 0.00 N ATOM 426 CA ARG A 32 -0.143 14.148 -8.028 1.00 0.00 C ATOM 427 C ARG A 32 -1.501 13.784 -8.622 1.00 0.00 C ATOM 428 O ARG A 32 -2.302 14.674 -8.938 1.00 0.00 O ATOM 429 CB ARG A 32 0.823 14.613 -9.111 1.00 0.00 C ATOM 430 CG ARG A 32 1.463 15.954 -8.797 1.00 0.00 C ATOM 431 CD ARG A 32 0.401 17.009 -8.503 1.00 0.00 C ATOM 432 NE ARG A 32 0.981 18.301 -8.130 1.00 0.00 N ATOM 433 CZ ARG A 32 0.588 19.057 -7.099 1.00 0.00 C ATOM 434 NH1 ARG A 32 -0.356 18.625 -6.265 1.00 0.00 N ATOM 435 NH2 ARG A 32 1.154 20.235 -6.891 1.00 0.00 N ATOM 0 H ARG A 32 1.096 12.495 -7.685 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.305 14.987 -7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.605 13.864 -9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.291 14.684 -10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.127 15.852 -7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.076 16.275 -9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.231 17.138 -9.382 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.242 16.657 -7.697 1.00 0.00 H new ATOM 0 HE ARG A 32 1.747 18.653 -8.703 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.785 17.711 -6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.650 19.208 -5.481 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.889 20.565 -7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.855 20.813 -6.105 1.00 0.00 H new ATOM 449 N ASN A 33 -1.766 12.503 -8.794 1.00 0.00 N ATOM 450 CA ASN A 33 -3.064 12.096 -9.297 1.00 0.00 C ATOM 451 C ASN A 33 -4.000 11.840 -8.144 1.00 0.00 C ATOM 452 O ASN A 33 -3.599 11.275 -7.127 1.00 0.00 O ATOM 453 CB ASN A 33 -3.031 10.883 -10.288 1.00 0.00 C ATOM 454 CG ASN A 33 -2.765 9.503 -9.673 1.00 0.00 C ATOM 455 OD1 ASN A 33 -1.658 8.974 -9.786 1.00 0.00 O ATOM 456 ND2 ASN A 33 -3.769 8.897 -9.054 1.00 0.00 N ATOM 0 H ASN A 33 -1.116 11.741 -8.598 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.433 12.927 -9.898 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.986 10.845 -10.812 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.264 11.076 -11.038 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.636 7.967 -8.656 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.674 9.360 -8.976 1.00 0.00 H new ATOM 463 N PRO A 34 -5.248 12.275 -8.265 1.00 0.00 N ATOM 464 CA PRO A 34 -6.254 12.068 -7.241 1.00 0.00 C ATOM 465 C PRO A 34 -6.949 10.709 -7.412 1.00 0.00 C ATOM 466 O PRO A 34 -6.450 9.833 -8.151 1.00 0.00 O ATOM 467 CB PRO A 34 -7.232 13.211 -7.514 1.00 0.00 C ATOM 468 CG PRO A 34 -7.194 13.376 -8.994 1.00 0.00 C ATOM 469 CD PRO A 34 -5.789 13.029 -9.416 1.00 0.00 C ATOM 0 HA PRO A 34 -5.849 12.062 -6.229 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.236 12.968 -7.166 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.929 14.125 -7.003 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.919 12.722 -9.478 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.446 14.397 -9.279 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.782 12.429 -10.326 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.201 13.924 -9.620 1.00 0.00 H new ATOM 477 N LYS A 35 -8.098 10.560 -6.739 1.00 0.00 N ATOM 478 CA LYS A 35 -8.941 9.359 -6.753 1.00 0.00 C ATOM 479 C LYS A 35 -8.349 8.217 -5.957 1.00 0.00 C ATOM 480 O LYS A 35 -7.159 8.204 -5.619 1.00 0.00 O ATOM 481 CB LYS A 35 -9.287 8.862 -8.162 1.00 0.00 C ATOM 482 CG LYS A 35 -10.186 9.770 -8.974 1.00 0.00 C ATOM 483 CD LYS A 35 -10.907 8.973 -10.048 1.00 0.00 C ATOM 484 CE LYS A 35 -9.933 8.226 -10.951 1.00 0.00 C ATOM 485 NZ LYS A 35 -10.566 7.067 -11.600 1.00 0.00 N ATOM 0 H LYS A 35 -8.479 11.300 -6.149 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.865 9.684 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.359 8.712 -8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.767 7.887 -8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.912 10.253 -8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.595 10.562 -9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.585 8.261 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.518 9.645 -10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.551 8.905 -11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.078 7.891 -10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.871 6.586 -12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.908 6.406 -10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.367 7.389 -12.180 1.00 0.00 H new ATOM 499 N ALA A 36 -9.180 7.263 -5.679 1.00 0.00 N ATOM 500 CA ALA A 36 -8.822 6.083 -4.967 1.00 0.00 C ATOM 501 C ALA A 36 -9.809 5.024 -5.365 1.00 0.00 C ATOM 502 O ALA A 36 -10.981 5.338 -5.609 1.00 0.00 O ATOM 503 CB ALA A 36 -8.870 6.327 -3.461 1.00 0.00 C ATOM 0 H ALA A 36 -10.162 7.288 -5.953 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.804 5.776 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.593 5.413 -2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.172 7.122 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.879 6.620 -3.172 1.00 0.00 H new ATOM 509 N CYS A 37 -9.361 3.812 -5.486 1.00 0.00 N ATOM 510 CA CYS A 37 -10.235 2.729 -5.864 1.00 0.00 C ATOM 511 C CYS A 37 -11.015 2.275 -4.657 1.00 0.00 C ATOM 512 O CYS A 37 -10.426 1.970 -3.613 1.00 0.00 O ATOM 513 CB CYS A 37 -9.426 1.581 -6.457 1.00 0.00 C ATOM 514 SG CYS A 37 -8.339 2.096 -7.834 1.00 0.00 S ATOM 0 H CYS A 37 -8.390 3.541 -5.329 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.935 3.072 -6.626 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.818 1.131 -5.672 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.110 0.810 -6.812 1.00 0.00 H new ATOM 519 N THR A 38 -12.323 2.268 -4.790 1.00 0.00 N ATOM 520 CA THR A 38 -13.239 1.919 -3.736 1.00 0.00 C ATOM 521 C THR A 38 -13.161 0.435 -3.368 1.00 0.00 C ATOM 522 O THR A 38 -13.985 -0.374 -3.797 1.00 0.00 O ATOM 523 CB THR A 38 -14.652 2.268 -4.191 1.00 0.00 C ATOM 524 OG1 THR A 38 -14.599 2.680 -5.585 1.00 0.00 O ATOM 525 CG2 THR A 38 -15.215 3.392 -3.341 1.00 0.00 C ATOM 0 H THR A 38 -12.789 2.513 -5.663 1.00 0.00 H new ATOM 0 HA THR A 38 -12.969 2.482 -2.843 1.00 0.00 H new ATOM 0 HB THR A 38 -15.300 1.398 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.501 2.906 -5.894 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.224 3.631 -3.676 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.244 3.079 -2.297 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.582 4.274 -3.438 1.00 0.00 H new ATOM 533 N LEU A 39 -12.170 0.093 -2.598 1.00 0.00 N ATOM 534 CA LEU A 39 -11.984 -1.258 -2.151 1.00 0.00 C ATOM 535 C LEU A 39 -12.497 -1.407 -0.724 1.00 0.00 C ATOM 536 O LEU A 39 -12.809 -2.509 -0.271 1.00 0.00 O ATOM 537 CB LEU A 39 -10.502 -1.648 -2.252 1.00 0.00 C ATOM 538 CG LEU A 39 -10.154 -3.109 -1.959 1.00 0.00 C ATOM 539 CD1 LEU A 39 -10.934 -4.044 -2.870 1.00 0.00 C ATOM 540 CD2 LEU A 39 -8.666 -3.333 -2.127 1.00 0.00 C ATOM 0 H LEU A 39 -11.464 0.747 -2.260 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.554 -1.932 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.156 -1.411 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.937 -1.019 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.431 -3.329 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.670 -5.077 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.003 -3.899 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.689 -3.827 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.429 -4.376 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.375 -3.094 -3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.121 -2.690 -1.436 1.00 0.00 H new ATOM 552 N ASN A 40 -12.629 -0.261 -0.050 1.00 0.00 N ATOM 553 CA ASN A 40 -13.066 -0.167 1.350 1.00 0.00 C ATOM 554 C ASN A 40 -12.046 -0.801 2.256 1.00 0.00 C ATOM 555 O ASN A 40 -12.360 -1.719 3.034 1.00 0.00 O ATOM 556 CB ASN A 40 -14.479 -0.750 1.592 1.00 0.00 C ATOM 557 CG ASN A 40 -15.585 0.243 1.300 1.00 0.00 C ATOM 558 OD1 ASN A 40 -16.005 1.005 2.177 1.00 0.00 O ATOM 559 ND2 ASN A 40 -16.090 0.226 0.096 1.00 0.00 N ATOM 0 H ASN A 40 -12.431 0.648 -0.469 1.00 0.00 H new ATOM 0 HA ASN A 40 -13.143 0.894 1.589 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -14.615 -1.632 0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -14.558 -1.080 2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -16.856 0.855 -0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -15.719 -0.416 -0.604 1.00 0.00 H new ATOM 566 N CYS A 41 -10.806 -0.308 2.121 1.00 0.00 N ATOM 567 CA CYS A 41 -9.634 -0.744 2.864 1.00 0.00 C ATOM 568 C CYS A 41 -9.140 -2.097 2.351 1.00 0.00 C ATOM 569 O CYS A 41 -9.940 -2.975 2.032 1.00 0.00 O ATOM 570 CB CYS A 41 -9.938 -0.813 4.361 1.00 0.00 C ATOM 571 SG CYS A 41 -10.778 0.667 5.059 1.00 0.00 S ATOM 0 H CYS A 41 -10.593 0.438 1.459 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.842 -0.011 2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -10.561 -1.687 4.549 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.002 -0.967 4.899 1.00 0.00 H new ATOM 576 N ASP A 42 -7.844 -2.257 2.218 1.00 0.00 N ATOM 577 CA ASP A 42 -7.285 -3.548 1.837 1.00 0.00 C ATOM 578 C ASP A 42 -6.606 -4.161 3.054 1.00 0.00 C ATOM 579 O ASP A 42 -5.428 -3.920 3.306 1.00 0.00 O ATOM 580 CB ASP A 42 -6.290 -3.410 0.674 1.00 0.00 C ATOM 581 CG ASP A 42 -5.905 -4.738 0.045 1.00 0.00 C ATOM 582 OD1 ASP A 42 -6.202 -5.798 0.627 1.00 0.00 O ATOM 583 OD2 ASP A 42 -5.318 -4.728 -1.072 1.00 0.00 O ATOM 0 H ASP A 42 -7.155 -1.519 2.365 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.090 -4.197 1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.725 -2.767 -0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.389 -2.913 1.034 1.00 0.00 H new ATOM 588 N PRO A 43 -7.345 -4.974 3.836 1.00 0.00 N ATOM 589 CA PRO A 43 -6.845 -5.558 5.076 1.00 0.00 C ATOM 590 C PRO A 43 -5.914 -6.737 4.826 1.00 0.00 C ATOM 591 O PRO A 43 -5.416 -7.373 5.770 1.00 0.00 O ATOM 592 CB PRO A 43 -8.123 -6.033 5.800 1.00 0.00 C ATOM 593 CG PRO A 43 -9.264 -5.563 4.952 1.00 0.00 C ATOM 594 CD PRO A 43 -8.714 -5.409 3.572 1.00 0.00 C ATOM 0 HA PRO A 43 -6.257 -4.841 5.649 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.134 -7.118 5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.183 -5.615 6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -10.084 -6.281 4.968 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.661 -4.618 5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.744 -6.345 3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.271 -4.674 2.991 1.00 0.00 H new ATOM 602 N ARG A 44 -5.692 -7.039 3.567 1.00 0.00 N ATOM 603 CA ARG A 44 -4.818 -8.113 3.180 1.00 0.00 C ATOM 604 C ARG A 44 -3.379 -7.583 3.131 1.00 0.00 C ATOM 605 O ARG A 44 -2.413 -8.343 3.186 1.00 0.00 O ATOM 606 CB ARG A 44 -5.257 -8.668 1.824 1.00 0.00 C ATOM 607 CG ARG A 44 -4.625 -9.995 1.433 1.00 0.00 C ATOM 608 CD ARG A 44 -4.466 -10.088 -0.080 1.00 0.00 C ATOM 609 NE ARG A 44 -3.614 -8.999 -0.574 1.00 0.00 N ATOM 610 CZ ARG A 44 -4.063 -7.965 -1.301 1.00 0.00 C ATOM 611 NH1 ARG A 44 -5.152 -8.104 -2.048 1.00 0.00 N ATOM 612 NH2 ARG A 44 -3.363 -6.842 -1.367 1.00 0.00 N ATOM 0 H ARG A 44 -6.116 -6.543 2.783 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.866 -8.926 3.904 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.340 -8.788 1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.023 -7.932 1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.652 -10.096 1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.244 -10.818 1.790 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.029 -11.050 -0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.444 -10.038 -0.558 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.619 -9.031 -0.351 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.646 -8.996 -2.068 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.495 -7.319 -2.601 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.479 -6.762 -0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.708 -6.058 -1.921 1.00 0.00 H new ATOM 626 N ILE A 45 -3.253 -6.269 3.045 1.00 0.00 N ATOM 627 CA ILE A 45 -1.962 -5.615 3.063 1.00 0.00 C ATOM 628 C ILE A 45 -1.511 -5.463 4.506 1.00 0.00 C ATOM 629 O ILE A 45 -2.323 -5.221 5.397 1.00 0.00 O ATOM 630 CB ILE A 45 -2.027 -4.222 2.349 1.00 0.00 C ATOM 631 CG1 ILE A 45 -2.184 -4.433 0.852 1.00 0.00 C ATOM 632 CG2 ILE A 45 -0.784 -3.360 2.632 1.00 0.00 C ATOM 633 CD1 ILE A 45 -2.460 -3.162 0.070 1.00 0.00 C ATOM 0 H ILE A 45 -4.043 -5.630 2.961 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.241 -6.224 2.518 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.887 -3.683 2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.276 -4.895 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.998 -5.137 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.878 -2.405 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.699 -3.185 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.107 -3.879 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.559 -3.401 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.385 -2.708 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.635 -2.463 0.209 1.00 0.00 H new ATOM 645 N ALA A 46 -0.241 -5.658 4.738 1.00 0.00 N ATOM 646 CA ALA A 46 0.306 -5.525 6.069 1.00 0.00 C ATOM 647 C ALA A 46 0.855 -4.132 6.250 1.00 0.00 C ATOM 648 O ALA A 46 0.432 -3.382 7.139 1.00 0.00 O ATOM 649 CB ALA A 46 1.396 -6.553 6.300 1.00 0.00 C ATOM 0 H ALA A 46 0.440 -5.911 4.022 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.486 -5.698 6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.797 -6.438 7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.981 -7.555 6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.195 -6.406 5.573 1.00 0.00 H new ATOM 655 N TYR A 47 1.782 -3.776 5.395 1.00 0.00 N ATOM 656 CA TYR A 47 2.408 -2.480 5.429 1.00 0.00 C ATOM 657 C TYR A 47 3.038 -2.200 4.093 1.00 0.00 C ATOM 658 O TYR A 47 3.082 -3.078 3.231 1.00 0.00 O ATOM 659 CB TYR A 47 3.448 -2.359 6.585 1.00 0.00 C ATOM 660 CG TYR A 47 4.449 -3.501 6.711 1.00 0.00 C ATOM 661 CD1 TYR A 47 5.570 -3.563 5.900 1.00 0.00 C ATOM 662 CD2 TYR A 47 4.279 -4.503 7.664 1.00 0.00 C ATOM 663 CE1 TYR A 47 6.486 -4.582 6.030 1.00 0.00 C ATOM 664 CE2 TYR A 47 5.193 -5.528 7.795 1.00 0.00 C ATOM 665 CZ TYR A 47 6.294 -5.562 6.974 1.00 0.00 C ATOM 666 OH TYR A 47 7.219 -6.574 7.097 1.00 0.00 O ATOM 0 H TYR A 47 2.125 -4.383 4.651 1.00 0.00 H new ATOM 0 HA TYR A 47 1.642 -1.731 5.630 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.003 -1.430 6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.905 -2.273 7.527 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.728 -2.799 5.153 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.416 -4.477 8.312 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.356 -4.611 5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.044 -6.298 8.537 1.00 0.00 H new ATOM 0 HH TYR A 47 6.940 -7.187 7.809 1.00 0.00 H new ATOM 676 N GLY A 48 3.479 -1.001 3.904 1.00 0.00 N ATOM 677 CA GLY A 48 4.119 -0.641 2.679 1.00 0.00 C ATOM 678 C GLY A 48 5.612 -0.645 2.836 1.00 0.00 C ATOM 679 O GLY A 48 6.145 0.003 3.737 1.00 0.00 O ATOM 0 H GLY A 48 3.408 -0.247 4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.830 -1.339 1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.784 0.348 2.366 1.00 0.00 H new ATOM 683 N VAL A 49 6.287 -1.377 1.997 1.00 0.00 N ATOM 684 CA VAL A 49 7.715 -1.424 2.029 1.00 0.00 C ATOM 685 C VAL A 49 8.249 -0.438 1.014 1.00 0.00 C ATOM 686 O VAL A 49 8.113 -0.621 -0.204 1.00 0.00 O ATOM 687 CB VAL A 49 8.295 -2.872 1.803 1.00 0.00 C ATOM 688 CG1 VAL A 49 9.781 -2.833 1.469 1.00 0.00 C ATOM 689 CG2 VAL A 49 8.100 -3.689 3.062 1.00 0.00 C ATOM 0 H VAL A 49 5.861 -1.956 1.274 1.00 0.00 H new ATOM 0 HA VAL A 49 8.047 -1.145 3.029 1.00 0.00 H new ATOM 0 HB VAL A 49 7.764 -3.321 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.147 -3.849 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.934 -2.255 0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.326 -2.368 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.500 -4.692 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.623 -3.211 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.037 -3.753 3.293 1.00 0.00 H new ATOM 699 N CYS A 50 8.758 0.643 1.508 1.00 0.00 N ATOM 700 CA CYS A 50 9.340 1.647 0.674 1.00 0.00 C ATOM 701 C CYS A 50 10.832 1.364 0.600 1.00 0.00 C ATOM 702 O CYS A 50 11.524 1.440 1.615 1.00 0.00 O ATOM 703 CB CYS A 50 9.070 3.047 1.251 1.00 0.00 C ATOM 704 SG CYS A 50 7.398 3.251 1.996 1.00 0.00 S ATOM 0 H CYS A 50 8.783 0.857 2.505 1.00 0.00 H new ATOM 0 HA CYS A 50 8.903 1.623 -0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 50 9.822 3.266 2.009 1.00 0.00 H new ATOM 0 HB3 CYS A 50 9.194 3.784 0.458 1.00 0.00 H new ATOM 709 N PRO A 51 11.328 0.962 -0.579 1.00 0.00 N ATOM 710 CA PRO A 51 12.739 0.601 -0.777 1.00 0.00 C ATOM 711 C PRO A 51 13.680 1.739 -0.415 1.00 0.00 C ATOM 712 O PRO A 51 13.448 2.898 -0.777 1.00 0.00 O ATOM 713 CB PRO A 51 12.819 0.294 -2.270 1.00 0.00 C ATOM 714 CG PRO A 51 11.432 -0.051 -2.655 1.00 0.00 C ATOM 715 CD PRO A 51 10.564 0.830 -1.825 1.00 0.00 C ATOM 0 HA PRO A 51 13.042 -0.231 -0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.184 1.153 -2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.503 -0.531 -2.469 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.265 0.121 -3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.221 -1.103 -2.465 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.397 1.796 -2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.584 0.385 -1.653 1.00 0.00 H new ATOM 723 N ARG A 52 14.717 1.416 0.302 1.00 0.00 N ATOM 724 CA ARG A 52 15.659 2.399 0.753 1.00 0.00 C ATOM 725 C ARG A 52 16.992 2.218 0.069 1.00 0.00 C ATOM 726 O ARG A 52 17.480 1.097 -0.104 1.00 0.00 O ATOM 727 CB ARG A 52 15.824 2.354 2.280 1.00 0.00 C ATOM 728 CG ARG A 52 16.188 0.992 2.840 1.00 0.00 C ATOM 729 CD ARG A 52 16.413 1.046 4.336 1.00 0.00 C ATOM 730 NE ARG A 52 16.507 -0.290 4.930 1.00 0.00 N ATOM 731 CZ ARG A 52 16.908 -0.552 6.185 1.00 0.00 C ATOM 732 NH1 ARG A 52 17.429 0.411 6.950 1.00 0.00 N ATOM 733 NH2 ARG A 52 16.816 -1.784 6.660 1.00 0.00 N ATOM 0 H ARG A 52 14.934 0.462 0.591 1.00 0.00 H new ATOM 0 HA ARG A 52 15.266 3.380 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 52 16.595 3.068 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.894 2.685 2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 52 15.392 0.282 2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 52 17.089 0.625 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.329 1.600 4.544 1.00 0.00 H new ATOM 0 HD3 ARG A 52 15.596 1.594 4.805 1.00 0.00 H new ATOM 0 HE ARG A 52 16.247 -1.084 4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 52 17.526 1.358 6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 52 17.730 0.200 7.901 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.442 -2.530 6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.119 -1.987 7.612 1.00 0.00 H new ATOM 747 N SER A 53 17.538 3.288 -0.370 1.00 0.00 N ATOM 748 CA SER A 53 18.828 3.300 -0.968 1.00 0.00 C ATOM 749 C SER A 53 19.708 4.198 -0.121 1.00 0.00 C ATOM 750 O SER A 53 19.156 5.137 0.520 1.00 0.00 O ATOM 751 CB SER A 53 18.742 3.803 -2.413 1.00 0.00 C ATOM 752 OG SER A 53 17.921 2.943 -3.211 1.00 0.00 O ATOM 753 OXT SER A 53 20.920 3.975 -0.047 1.00 0.00 O ATOM 0 H SER A 53 17.094 4.205 -0.325 1.00 0.00 H new ATOM 0 HA SER A 53 19.250 2.296 -1.008 1.00 0.00 H new ATOM 0 HB2 SER A 53 18.335 4.814 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 53 19.742 3.857 -2.843 1.00 0.00 H new ATOM 0 HG SER A 53 17.881 3.287 -4.128 1.00 0.00 H new TER 759 SER A 53