USER MOD reduce.3.24.130724 H: found=0, std=0, add=156, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 148 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 10 CYS SG : rot 98:sc= -0.832 USER MOD Set 1.2: A 12 CYS SG : rot 180:sc=-0.00225 USER MOD Set 1.3: A 18 CYS SG : rot -28:sc= 0.831 USER MOD Set 1.4: A 20 CYS SG : rot 40:sc= 0.876 USER MOD Set 1.5: A 24 CYS SG : rot 150:sc= 0 USER MOD Set 1.6: A 26 CYS SG : rot 158:sc= -0.853 USER MOD Set 1.7: A 29 CYS SG : rot 106:sc= 0.118 USER MOD Set 1.8: A 31 CYS SG : rot -170:sc= 0.00559 USER MOD Set 1.9: A 34 CYS SG : rot -38:sc= -1.42 USER MOD Single : A 13 SER OG : rot 159:sc= -1.45! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.125 K(o=-0.13,f=0.59) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -47:sc= 1.03 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.553 X(o=-0.55,f=-0.56) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N CYS A 10 -4.182 -1.871 -2.939 1.00 0.00 N ATOM 28 CA CYS A 10 -3.633 -2.589 -1.801 1.00 0.00 C ATOM 29 C CYS A 10 -4.137 -1.920 -0.522 1.00 0.00 C ATOM 30 O CYS A 10 -4.598 -0.779 -0.553 1.00 0.00 O ATOM 31 CB CYS A 10 -2.105 -2.646 -1.852 1.00 0.00 C ATOM 32 SG CYS A 10 -1.323 -3.555 -0.469 1.00 0.00 S ATOM 0 HA CYS A 10 -3.971 -3.625 -1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.804 -3.112 -2.790 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.718 -1.627 -1.863 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.046 -4.767 -0.848 1.00 0.00 H new ATOM 37 N GLU A 11 -4.032 -2.656 0.575 1.00 0.00 N ATOM 38 CA GLU A 11 -4.472 -2.148 1.863 1.00 0.00 C ATOM 39 C GLU A 11 -3.294 -1.529 2.621 1.00 0.00 C ATOM 40 O GLU A 11 -2.938 -1.946 3.719 1.00 0.00 O ATOM 41 CB GLU A 11 -5.137 -3.251 2.689 1.00 0.00 C ATOM 42 CG GLU A 11 -6.600 -3.435 2.280 1.00 0.00 C ATOM 43 CD GLU A 11 -7.426 -3.997 3.439 1.00 0.00 C ATOM 44 OE1 GLU A 11 -6.846 -4.782 4.221 1.00 0.00 O ATOM 45 OE2 GLU A 11 -8.619 -3.630 3.517 1.00 0.00 O ATOM 0 H GLU A 11 -3.648 -3.601 0.598 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.216 -1.370 1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.597 -4.188 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.080 -3.001 3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.016 -2.479 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.661 -4.109 1.425 1.00 0.00 H new ATOM 52 N CYS A 12 -2.693 -0.515 1.996 1.00 0.00 N ATOM 53 CA CYS A 12 -1.563 0.184 2.576 1.00 0.00 C ATOM 54 C CYS A 12 -1.991 0.860 3.870 1.00 0.00 C ATOM 55 O CYS A 12 -1.557 0.430 4.936 1.00 0.00 O ATOM 56 CB CYS A 12 -1.031 1.208 1.579 1.00 0.00 C ATOM 57 SG CYS A 12 -0.380 0.329 0.136 1.00 0.00 S ATOM 0 H CYS A 12 -2.978 -0.164 1.082 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.767 -0.525 2.803 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.826 1.891 1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.248 1.812 2.039 1.00 0.00 H new ATOM 0 HG CYS A 12 0.077 1.188 -0.726 1.00 0.00 H new ATOM 62 N SER A 13 -2.820 1.887 3.759 1.00 0.00 N ATOM 63 CA SER A 13 -3.288 2.603 4.933 1.00 0.00 C ATOM 64 C SER A 13 -4.809 2.469 5.056 1.00 0.00 C ATOM 65 O SER A 13 -5.382 2.804 6.092 1.00 0.00 O ATOM 66 CB SER A 13 -2.889 4.078 4.874 1.00 0.00 C ATOM 67 OG SER A 13 -3.138 4.649 3.593 1.00 0.00 O ATOM 0 H SER A 13 -3.180 2.241 2.873 1.00 0.00 H new ATOM 0 HA SER A 13 -2.818 2.162 5.812 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.442 4.633 5.632 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.831 4.177 5.115 1.00 0.00 H new ATOM 0 HG SER A 13 -3.194 5.624 3.675 1.00 0.00 H new ATOM 73 N LYS A 14 -5.415 1.979 3.986 1.00 0.00 N ATOM 74 CA LYS A 14 -6.857 1.796 3.961 1.00 0.00 C ATOM 75 C LYS A 14 -7.539 3.163 3.888 1.00 0.00 C ATOM 76 O LYS A 14 -8.292 3.436 2.955 1.00 0.00 O ATOM 77 CB LYS A 14 -7.310 0.945 5.150 1.00 0.00 C ATOM 78 CG LYS A 14 -7.552 -0.505 4.727 1.00 0.00 C ATOM 79 CD LYS A 14 -9.002 -0.916 4.986 1.00 0.00 C ATOM 80 CE LYS A 14 -9.185 -1.406 6.424 1.00 0.00 C ATOM 81 NZ LYS A 14 -10.614 -1.669 6.705 1.00 0.00 N ATOM 0 H LYS A 14 -4.935 1.703 3.130 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.155 1.243 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.553 0.977 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.224 1.362 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.320 -0.622 3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.880 -1.165 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.662 -0.069 4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.290 -1.704 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.604 -2.315 6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.803 -0.659 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.720 -2.001 7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.160 -0.794 6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.968 -2.398 6.053 1.00 0.00 H new ATOM 95 N SER A 15 -7.249 3.987 4.886 1.00 0.00 N ATOM 96 CA SER A 15 -7.825 5.320 4.946 1.00 0.00 C ATOM 97 C SER A 15 -7.939 5.905 3.538 1.00 0.00 C ATOM 98 O SER A 15 -9.027 6.281 3.103 1.00 0.00 O ATOM 99 CB SER A 15 -6.990 6.241 5.837 1.00 0.00 C ATOM 100 OG SER A 15 -7.514 7.565 5.875 1.00 0.00 O ATOM 0 H SER A 15 -6.624 3.757 5.658 1.00 0.00 H new ATOM 0 HA SER A 15 -8.821 5.242 5.382 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.957 5.835 6.848 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.964 6.268 5.470 1.00 0.00 H new ATOM 0 HG SER A 15 -6.954 8.122 6.456 1.00 0.00 H new ATOM 106 N GLY A 16 -6.800 5.965 2.862 1.00 0.00 N ATOM 107 CA GLY A 16 -6.757 6.499 1.511 1.00 0.00 C ATOM 108 C GLY A 16 -5.327 6.861 1.110 1.00 0.00 C ATOM 109 O GLY A 16 -4.874 6.501 0.023 1.00 0.00 O ATOM 0 H GLY A 16 -5.900 5.652 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.159 5.765 0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.392 7.383 1.445 1.00 0.00 H new ATOM 113 N THR A 17 -4.656 7.568 2.006 1.00 0.00 N ATOM 114 CA THR A 17 -3.285 7.982 1.759 1.00 0.00 C ATOM 115 C THR A 17 -2.315 6.847 2.095 1.00 0.00 C ATOM 116 O THR A 17 -1.917 6.688 3.248 1.00 0.00 O ATOM 117 CB THR A 17 -3.026 9.260 2.560 1.00 0.00 C ATOM 118 OG1 THR A 17 -3.598 10.292 1.760 1.00 0.00 O ATOM 119 CG2 THR A 17 -1.540 9.619 2.625 1.00 0.00 C ATOM 0 H THR A 17 -5.036 7.865 2.905 1.00 0.00 H new ATOM 0 HA THR A 17 -3.123 8.203 0.704 1.00 0.00 H new ATOM 0 HB THR A 17 -3.415 9.140 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.477 11.156 2.206 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.412 10.533 3.204 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.990 8.807 3.101 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.158 9.773 1.616 1.00 0.00 H new ATOM 127 N CYS A 18 -1.963 6.090 1.068 1.00 0.00 N ATOM 128 CA CYS A 18 -1.048 4.974 1.239 1.00 0.00 C ATOM 129 C CYS A 18 0.152 5.459 2.055 1.00 0.00 C ATOM 130 O CYS A 18 0.979 6.222 1.557 1.00 0.00 O ATOM 131 CB CYS A 18 -0.622 4.380 -0.105 1.00 0.00 C ATOM 132 SG CYS A 18 1.186 4.199 -0.325 1.00 0.00 S ATOM 0 H CYS A 18 -2.295 6.227 0.113 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.549 4.168 1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.087 3.401 -0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.010 5.011 -0.905 1.00 0.00 H new ATOM 0 HG CYS A 18 1.801 5.103 0.377 1.00 0.00 H new ATOM 137 N ASN A 19 0.209 4.997 3.296 1.00 0.00 N ATOM 138 CA ASN A 19 1.295 5.373 4.185 1.00 0.00 C ATOM 139 C ASN A 19 2.377 4.292 4.151 1.00 0.00 C ATOM 140 O ASN A 19 3.151 4.117 5.087 1.00 0.00 O ATOM 141 CB ASN A 19 0.804 5.505 5.628 1.00 0.00 C ATOM 142 CG ASN A 19 1.667 6.495 6.414 1.00 0.00 C ATOM 143 OD1 ASN A 19 2.885 6.486 6.346 1.00 0.00 O ATOM 144 ND2 ASN A 19 0.970 7.346 7.161 1.00 0.00 N ATOM 0 H ASN A 19 -0.479 4.366 3.706 1.00 0.00 H new ATOM 0 HA ASN A 19 1.689 6.332 3.848 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.234 5.838 5.633 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.828 4.530 6.115 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.454 8.046 7.723 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.049 7.299 7.172 1.00 0.00 H new ATOM 151 N CYS A 20 2.409 3.563 3.034 1.00 0.00 N ATOM 152 CA CYS A 20 3.374 2.499 2.837 1.00 0.00 C ATOM 153 C CYS A 20 4.633 3.065 2.195 1.00 0.00 C ATOM 154 O CYS A 20 5.589 2.314 2.006 1.00 0.00 O ATOM 155 CB CYS A 20 2.760 1.410 1.963 1.00 0.00 C ATOM 156 SG CYS A 20 3.696 1.311 0.417 1.00 0.00 S ATOM 0 H CYS A 20 1.769 3.698 2.251 1.00 0.00 H new ATOM 0 HA CYS A 20 3.644 2.061 3.798 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.784 0.451 2.481 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.714 1.635 1.758 1.00 0.00 H new ATOM 0 HG CYS A 20 4.963 1.457 0.667 1.00 0.00 H new ATOM 161 N GLY A 21 4.613 4.350 1.877 1.00 0.00 N ATOM 162 CA GLY A 21 5.765 4.985 1.258 1.00 0.00 C ATOM 163 C GLY A 21 7.070 4.368 1.765 1.00 0.00 C ATOM 164 O GLY A 21 7.943 4.017 0.973 1.00 0.00 O ATOM 0 H GLY A 21 3.818 4.969 2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.705 4.878 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.756 6.053 1.474 1.00 0.00 H new ATOM 168 N GLY A 22 7.160 4.253 3.082 1.00 0.00 N ATOM 169 CA GLY A 22 8.345 3.684 3.703 1.00 0.00 C ATOM 170 C GLY A 22 8.175 2.181 3.932 1.00 0.00 C ATOM 171 O GLY A 22 7.533 1.498 3.137 1.00 0.00 O ATOM 0 H GLY A 22 6.433 4.544 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.214 3.863 3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.536 4.181 4.654 1.00 0.00 H new ATOM 175 N SER A 23 8.763 1.711 5.022 1.00 0.00 N ATOM 176 CA SER A 23 8.684 0.301 5.365 1.00 0.00 C ATOM 177 C SER A 23 7.226 -0.104 5.584 1.00 0.00 C ATOM 178 O SER A 23 6.692 0.050 6.682 1.00 0.00 O ATOM 179 CB SER A 23 9.513 -0.009 6.614 1.00 0.00 C ATOM 180 OG SER A 23 10.582 -0.910 6.335 1.00 0.00 O ATOM 0 H SER A 23 9.296 2.281 5.679 1.00 0.00 H new ATOM 0 HA SER A 23 9.094 -0.276 4.536 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.917 0.918 7.020 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.868 -0.438 7.380 1.00 0.00 H new ATOM 0 HG SER A 23 11.088 -1.081 7.156 1.00 0.00 H new ATOM 186 N CYS A 24 6.621 -0.615 4.522 1.00 0.00 N ATOM 187 CA CYS A 24 5.234 -1.044 4.583 1.00 0.00 C ATOM 188 C CYS A 24 5.190 -2.438 5.213 1.00 0.00 C ATOM 189 O CYS A 24 6.168 -3.181 5.153 1.00 0.00 O ATOM 190 CB CYS A 24 4.572 -1.019 3.203 1.00 0.00 C ATOM 191 SG CYS A 24 5.239 -2.236 2.012 1.00 0.00 S ATOM 0 H CYS A 24 7.066 -0.742 3.613 1.00 0.00 H new ATOM 0 HA CYS A 24 4.663 -0.350 5.199 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.504 -1.198 3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.682 -0.020 2.781 1.00 0.00 H new ATOM 0 HG CYS A 24 4.301 -2.594 1.186 1.00 0.00 H new ATOM 196 N THR A 25 4.044 -2.749 5.802 1.00 0.00 N ATOM 197 CA THR A 25 3.859 -4.041 6.443 1.00 0.00 C ATOM 198 C THR A 25 2.576 -4.706 5.942 1.00 0.00 C ATOM 199 O THR A 25 2.070 -5.637 6.566 1.00 0.00 O ATOM 200 CB THR A 25 3.882 -3.825 7.956 1.00 0.00 C ATOM 201 OG1 THR A 25 3.829 -5.143 8.496 1.00 0.00 O ATOM 202 CG2 THR A 25 2.604 -3.162 8.472 1.00 0.00 C ATOM 0 H THR A 25 3.235 -2.129 5.849 1.00 0.00 H new ATOM 0 HA THR A 25 4.665 -4.729 6.187 1.00 0.00 H new ATOM 0 HB THR A 25 4.743 -3.212 8.221 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.121 -5.652 8.049 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.672 -3.032 9.552 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.481 -2.189 7.996 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.746 -3.792 8.236 1.00 0.00 H new ATOM 210 N CYS A 26 2.086 -4.201 4.819 1.00 0.00 N ATOM 211 CA CYS A 26 0.870 -4.734 4.228 1.00 0.00 C ATOM 212 C CYS A 26 1.253 -5.896 3.310 1.00 0.00 C ATOM 213 O CYS A 26 2.424 -6.068 2.976 1.00 0.00 O ATOM 214 CB CYS A 26 0.083 -3.653 3.483 1.00 0.00 C ATOM 215 SG CYS A 26 1.110 -2.442 2.575 1.00 0.00 S ATOM 0 H CYS A 26 2.509 -3.429 4.303 1.00 0.00 H new ATOM 0 HA CYS A 26 0.208 -5.096 5.014 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.592 -4.137 2.777 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.537 -3.116 4.201 1.00 0.00 H new ATOM 0 HG CYS A 26 0.400 -1.888 1.637 1.00 0.00 H new ATOM 220 N THR A 27 0.243 -6.663 2.927 1.00 0.00 N ATOM 221 CA THR A 27 0.459 -7.805 2.054 1.00 0.00 C ATOM 222 C THR A 27 0.021 -7.474 0.626 1.00 0.00 C ATOM 223 O THR A 27 -0.834 -6.614 0.419 1.00 0.00 O ATOM 224 CB THR A 27 -0.277 -9.005 2.653 1.00 0.00 C ATOM 225 OG1 THR A 27 0.337 -9.190 3.925 1.00 0.00 O ATOM 226 CG2 THR A 27 0.015 -10.306 1.904 1.00 0.00 C ATOM 0 H THR A 27 -0.727 -6.516 3.205 1.00 0.00 H new ATOM 0 HA THR A 27 1.517 -8.056 1.986 1.00 0.00 H new ATOM 0 HB THR A 27 -1.350 -8.814 2.642 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.082 -9.948 4.383 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.532 -11.125 2.371 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.298 -10.206 0.865 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.084 -10.516 1.942 1.00 0.00 H new ATOM 234 N ASN A 28 0.627 -8.175 -0.322 1.00 0.00 N ATOM 235 CA ASN A 28 0.310 -7.965 -1.725 1.00 0.00 C ATOM 236 C ASN A 28 0.289 -6.464 -2.021 1.00 0.00 C ATOM 237 O ASN A 28 -0.754 -5.865 -2.261 1.00 0.00 O ATOM 238 CB ASN A 28 -1.067 -8.535 -2.069 1.00 0.00 C ATOM 239 CG ASN A 28 -1.193 -9.987 -1.602 1.00 0.00 C ATOM 240 OD1 ASN A 28 -0.316 -10.810 -1.806 1.00 0.00 O ATOM 241 ND2 ASN A 28 -2.329 -10.254 -0.963 1.00 0.00 N ATOM 0 H ASN A 28 1.335 -8.888 -0.146 1.00 0.00 H new ATOM 0 HA ASN A 28 1.069 -8.471 -2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.842 -7.930 -1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.228 -8.480 -3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.507 -11.194 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.022 -9.518 -0.826 1.00 0.00 H new ATOM 248 N CYS A 29 1.484 -5.867 -1.995 1.00 0.00 N ATOM 249 CA CYS A 29 1.639 -4.450 -2.256 1.00 0.00 C ATOM 250 C CYS A 29 2.002 -4.239 -3.719 1.00 0.00 C ATOM 251 O CYS A 29 2.249 -5.221 -4.417 1.00 0.00 O ATOM 252 CB CYS A 29 2.719 -3.881 -1.341 1.00 0.00 C ATOM 253 SG CYS A 29 2.395 -2.118 -1.086 1.00 0.00 S ATOM 0 H CYS A 29 2.357 -6.354 -1.794 1.00 0.00 H new ATOM 0 HA CYS A 29 0.703 -3.930 -2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.721 -4.407 -0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.704 -4.024 -1.785 1.00 0.00 H new ATOM 0 HG CYS A 29 1.933 -1.931 0.115 1.00 0.00 H new ATOM 258 N SER A 30 2.025 -2.985 -4.151 1.00 0.00 N ATOM 259 CA SER A 30 2.358 -2.676 -5.531 1.00 0.00 C ATOM 260 C SER A 30 2.651 -1.182 -5.675 1.00 0.00 C ATOM 261 O SER A 30 2.002 -0.491 -6.459 1.00 0.00 O ATOM 262 CB SER A 30 1.228 -3.089 -6.475 1.00 0.00 C ATOM 263 OG SER A 30 1.725 -3.655 -7.687 1.00 0.00 O ATOM 0 H SER A 30 1.819 -2.173 -3.570 1.00 0.00 H new ATOM 0 HA SER A 30 3.248 -3.243 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.583 -3.812 -5.975 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.613 -2.220 -6.706 1.00 0.00 H new ATOM 0 HG SER A 30 0.973 -3.908 -8.263 1.00 0.00 H new ATOM 269 N CYS A 31 3.631 -0.727 -4.909 1.00 0.00 N ATOM 270 CA CYS A 31 4.018 0.673 -4.942 1.00 0.00 C ATOM 271 C CYS A 31 5.508 0.752 -5.282 1.00 0.00 C ATOM 272 O CYS A 31 6.311 -0.017 -4.754 1.00 0.00 O ATOM 273 CB CYS A 31 3.697 1.381 -3.623 1.00 0.00 C ATOM 274 SG CYS A 31 1.918 1.437 -3.197 1.00 0.00 S ATOM 0 H CYS A 31 4.169 -1.303 -4.262 1.00 0.00 H new ATOM 0 HA CYS A 31 3.442 1.193 -5.708 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.234 0.880 -2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.077 2.401 -3.672 1.00 0.00 H new ATOM 0 HG CYS A 31 1.739 2.231 -2.183 1.00 0.00 H new ATOM 279 N LYS A 32 5.832 1.687 -6.163 1.00 0.00 N ATOM 280 CA LYS A 32 7.212 1.875 -6.580 1.00 0.00 C ATOM 281 C LYS A 32 7.982 2.593 -5.471 1.00 0.00 C ATOM 282 O LYS A 32 9.196 2.773 -5.568 1.00 0.00 O ATOM 283 CB LYS A 32 7.269 2.590 -7.931 1.00 0.00 C ATOM 284 CG LYS A 32 7.007 1.615 -9.080 1.00 0.00 C ATOM 285 CD LYS A 32 5.633 1.862 -9.707 1.00 0.00 C ATOM 286 CE LYS A 32 5.590 1.352 -11.150 1.00 0.00 C ATOM 287 NZ LYS A 32 5.397 2.478 -12.091 1.00 0.00 N ATOM 0 H LYS A 32 5.164 2.322 -6.599 1.00 0.00 H new ATOM 0 HA LYS A 32 7.699 0.912 -6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.530 3.391 -7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.247 3.054 -8.059 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.782 1.725 -9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.064 0.590 -8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.865 1.362 -9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.406 2.928 -9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.517 0.829 -11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.780 0.632 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.370 2.115 -13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.501 2.960 -11.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.184 3.151 -11.994 1.00 0.00 H new ATOM 301 N SER A 33 7.246 2.985 -4.441 1.00 0.00 N ATOM 302 CA SER A 33 7.845 3.679 -3.314 1.00 0.00 C ATOM 303 C SER A 33 8.280 2.671 -2.249 1.00 0.00 C ATOM 304 O SER A 33 8.632 3.054 -1.134 1.00 0.00 O ATOM 305 CB SER A 33 6.873 4.699 -2.715 1.00 0.00 C ATOM 306 OG SER A 33 7.312 6.039 -2.920 1.00 0.00 O ATOM 0 H SER A 33 6.240 2.835 -4.364 1.00 0.00 H new ATOM 0 HA SER A 33 8.721 4.219 -3.672 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.888 4.568 -3.163 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.765 4.512 -1.647 1.00 0.00 H new ATOM 0 HG SER A 33 6.664 6.659 -2.525 1.00 0.00 H new ATOM 312 N CYS A 34 8.243 1.403 -2.630 1.00 0.00 N ATOM 313 CA CYS A 34 8.629 0.337 -1.721 1.00 0.00 C ATOM 314 C CYS A 34 9.235 -0.800 -2.547 1.00 0.00 C ATOM 315 O CYS A 34 10.301 -1.316 -2.211 1.00 0.00 O ATOM 316 CB CYS A 34 7.447 -0.139 -0.875 1.00 0.00 C ATOM 317 SG CYS A 34 6.190 -1.110 -1.784 1.00 0.00 S ATOM 0 H CYS A 34 7.952 1.089 -3.556 1.00 0.00 H new ATOM 0 HA CYS A 34 9.371 0.707 -1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.828 -0.745 -0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.962 0.731 -0.432 1.00 0.00 H new ATOM 0 HG CYS A 34 6.026 -0.605 -2.971 1.00 0.00 H new ATOM 322 N LYS A 35 8.529 -1.160 -3.609 1.00 0.00 N ATOM 323 CA LYS A 35 8.984 -2.228 -4.482 1.00 0.00 C ATOM 324 C LYS A 35 9.772 -1.625 -5.648 1.00 0.00 C ATOM 325 O LYS A 35 10.830 -1.032 -5.446 1.00 0.00 O ATOM 326 CB LYS A 35 7.806 -3.099 -4.923 1.00 0.00 C ATOM 327 CG LYS A 35 7.286 -3.946 -3.759 1.00 0.00 C ATOM 328 CD LYS A 35 6.088 -4.793 -4.191 1.00 0.00 C ATOM 329 CE LYS A 35 6.523 -5.921 -5.130 1.00 0.00 C ATOM 330 NZ LYS A 35 6.349 -7.236 -4.476 1.00 0.00 N ATOM 0 H LYS A 35 7.646 -0.731 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 35 9.661 -2.895 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.004 -2.467 -5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.116 -3.749 -5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.082 -4.595 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.998 -3.297 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.600 -5.215 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.353 -4.162 -4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.936 -5.884 -6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.567 -5.784 -5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.649 -7.990 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.928 -7.274 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.348 -7.371 -4.228 1.00 0.00 H new