USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 538 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 74 CYS SG : rot -170:sc= 1.34 USER MOD Set 1.2: A 76 CYS SG : rot 144:sc= -0.769 USER MOD Set 1.3: A 81 CYS SG : rot 180:sc= 0.213 USER MOD Set 1.4: A 83 CYS SG : rot 177:sc= 0.332 USER MOD Set 1.5: A 87 CYS SG : rot -100:sc= 1 USER MOD Set 1.6: A 93 CYS SG : rot 116:sc= -0.147 USER MOD Set 1.7: A 99 CYS SG : rot -143:sc= 1.31 USER MOD Set 1.8: A 102 LYS NZ :NH3+ 162:sc= 1.9 (180deg=1.2) USER MOD Set 2.1: A 52 CYS SG : rot 180:sc= -1.29! USER MOD Set 2.2: A 67 CYS SG : rot 180:sc= 1.35 USER MOD Set 2.3: A 69 SER OG : rot 91:sc= 1.01 USER MOD Set 3.1: A 43 CYS SG : rot 180:sc= 0.462 USER MOD Set 3.2: A 44 THR OG1 : rot 180:sc= -0.475 USER MOD Set 3.3: A 47 CYS SG : rot -30:sc= 0.028 USER MOD Set 3.4: A 48 LYS NZ :NH3+ -163:sc= 0.0557! (180deg=-1.34!) USER MOD Set 3.5: A 61 CYS SG : rot 180:sc= 0.0591 USER MOD Set 4.1: A 20 CYS SG : rot -79:sc= 0.32 USER MOD Set 4.2: A 22 CYS SG : rot 180:sc= -1.77! USER MOD Set 4.3: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 11 CYS SG : rot 180:sc= 0.588 USER MOD Set 5.2: A 15 CYS SG : rot -38:sc= 0.00716 USER MOD Set 5.3: A 32 CYS SG : rot 180:sc= -0.341 USER MOD Set 6.1: A 12 THR OG1 : rot -160:sc= -0.165 USER MOD Set 6.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.039) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -63:sc= -1.39 USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 28 CYS SG : rot 180:sc= -0.664 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.39 F(o=-1.1,f=-0.39) USER MOD Single : A 36 SER OG : rot 130:sc= -0.221 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.132 USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.0385 (180deg=-0.381) USER MOD Single : A 49 GLN : amide:sc= -1.92! X(o=-1.9!,f=-1.7) USER MOD Single : A 50 THR OG1 : rot -90:sc= 1.33 USER MOD Single : A 54 CYS SG : rot -40:sc= -6.69! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.145 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 62 THR OG1 : rot -140:sc= -0.0251 USER MOD Single : A 65 CYS SG : rot 180:sc= -0.305 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.807 K(o=-0.81,f=-2.2) USER MOD Single : A 70 CYS SG : rot 180:sc= 0.128 USER MOD Single : A 71 SER OG : rot 137:sc= 1.24 USER MOD Single : A 72 THR OG1 : rot -78:sc= 0.382 USER MOD Single : A 75 LYS NZ :NH3+ 130:sc= 1.12 (180deg=0.475) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0419 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 25:sc= 0.765 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0576 (180deg=-0.301) USER MOD Single : A 95 CYS SG : rot 140:sc= -1.8 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 160:sc= -0.166 USER MOD ----------------------------------------------------------------- ATOM 93 N GLY A 8 3.369 -4.144 -23.576 1.00 0.00 N ATOM 94 CA GLY A 8 4.207 -4.726 -24.617 1.00 0.00 C ATOM 95 C GLY A 8 3.632 -6.028 -25.149 1.00 0.00 C ATOM 96 O GLY A 8 3.231 -6.122 -26.309 1.00 0.00 O ATOM 0 HA2 GLY A 8 4.313 -4.015 -25.436 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.206 -4.906 -24.220 1.00 0.00 H new ATOM 100 N ALA A 9 3.577 -7.021 -24.288 1.00 0.00 N ATOM 101 CA ALA A 9 3.016 -8.322 -24.621 1.00 0.00 C ATOM 102 C ALA A 9 1.518 -8.330 -24.354 1.00 0.00 C ATOM 103 O ALA A 9 0.877 -9.378 -24.342 1.00 0.00 O ATOM 104 CB ALA A 9 3.707 -9.413 -23.817 1.00 0.00 C ATOM 0 H ALA A 9 3.921 -6.953 -23.330 1.00 0.00 H new ATOM 0 HA ALA A 9 3.180 -8.517 -25.681 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.279 -10.382 -24.075 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.773 -9.415 -24.047 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.566 -9.226 -22.753 1.00 0.00 H new ATOM 110 N GLY A 10 0.968 -7.145 -24.156 1.00 0.00 N ATOM 111 CA GLY A 10 -0.438 -7.007 -23.897 1.00 0.00 C ATOM 112 C GLY A 10 -1.229 -6.944 -25.172 1.00 0.00 C ATOM 113 O GLY A 10 -1.755 -5.896 -25.536 1.00 0.00 O ATOM 0 H GLY A 10 1.484 -6.265 -24.172 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.782 -7.848 -23.295 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.615 -6.104 -23.313 1.00 0.00 H new ATOM 117 N CYS A 11 -1.279 -8.051 -25.864 1.00 0.00 N ATOM 118 CA CYS A 11 -2.016 -8.142 -27.104 1.00 0.00 C ATOM 119 C CYS A 11 -3.497 -8.468 -26.826 1.00 0.00 C ATOM 120 O CYS A 11 -3.971 -8.309 -25.695 1.00 0.00 O ATOM 121 CB CYS A 11 -1.383 -9.192 -28.010 1.00 0.00 C ATOM 122 SG CYS A 11 -1.761 -8.968 -29.758 1.00 0.00 S ATOM 0 H CYS A 11 -0.813 -8.915 -25.588 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.975 -7.180 -27.614 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.302 -9.170 -27.876 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.722 -10.180 -27.698 1.00 0.00 H new ATOM 0 HG CYS A 11 -1.181 -9.902 -30.451 1.00 0.00 H new ATOM 127 N THR A 12 -4.227 -8.915 -27.842 1.00 0.00 N ATOM 128 CA THR A 12 -5.638 -9.198 -27.670 1.00 0.00 C ATOM 129 C THR A 12 -6.093 -10.357 -28.553 1.00 0.00 C ATOM 130 O THR A 12 -5.445 -10.693 -29.552 1.00 0.00 O ATOM 131 CB THR A 12 -6.508 -7.943 -27.961 1.00 0.00 C ATOM 132 OG1 THR A 12 -7.887 -8.227 -27.704 1.00 0.00 O ATOM 133 CG2 THR A 12 -6.352 -7.487 -29.405 1.00 0.00 C ATOM 0 H THR A 12 -3.866 -9.086 -28.781 1.00 0.00 H new ATOM 0 HA THR A 12 -5.775 -9.485 -26.627 1.00 0.00 H new ATOM 0 HB THR A 12 -6.167 -7.144 -27.303 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.448 -7.575 -28.174 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.973 -6.608 -29.578 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.308 -7.238 -29.597 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.663 -8.288 -30.075 1.00 0.00 H new ATOM 141 N ASP A 13 -7.216 -10.954 -28.182 1.00 0.00 N ATOM 142 CA ASP A 13 -7.785 -12.066 -28.922 1.00 0.00 C ATOM 143 C ASP A 13 -8.522 -11.561 -30.150 1.00 0.00 C ATOM 144 O ASP A 13 -8.654 -12.271 -31.136 1.00 0.00 O ATOM 145 CB ASP A 13 -8.734 -12.881 -28.029 1.00 0.00 C ATOM 146 CG ASP A 13 -9.960 -12.098 -27.597 1.00 0.00 C ATOM 147 OD1 ASP A 13 -9.820 -11.170 -26.767 1.00 0.00 O ATOM 148 OD2 ASP A 13 -11.073 -12.412 -28.072 1.00 0.00 O ATOM 0 H ASP A 13 -7.756 -10.681 -27.361 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.972 -12.716 -29.245 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.051 -13.775 -28.566 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.193 -13.216 -27.144 1.00 0.00 H new ATOM 153 N THR A 14 -8.977 -10.313 -30.095 1.00 0.00 N ATOM 154 CA THR A 14 -9.675 -9.695 -31.220 1.00 0.00 C ATOM 155 C THR A 14 -8.737 -9.580 -32.421 1.00 0.00 C ATOM 156 O THR A 14 -9.165 -9.491 -33.576 1.00 0.00 O ATOM 157 CB THR A 14 -10.170 -8.290 -30.837 1.00 0.00 C ATOM 158 OG1 THR A 14 -10.871 -8.350 -29.587 1.00 0.00 O ATOM 159 CG2 THR A 14 -11.088 -7.729 -31.910 1.00 0.00 C ATOM 0 H THR A 14 -8.875 -9.707 -29.281 1.00 0.00 H new ATOM 0 HA THR A 14 -10.528 -10.322 -31.478 1.00 0.00 H new ATOM 0 HB THR A 14 -9.305 -7.633 -30.743 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.184 -7.454 -29.344 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.425 -6.735 -31.617 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.547 -7.665 -32.854 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.951 -8.384 -32.030 1.00 0.00 H new ATOM 167 N CYS A 15 -7.466 -9.625 -32.133 1.00 0.00 N ATOM 168 CA CYS A 15 -6.443 -9.489 -33.127 1.00 0.00 C ATOM 169 C CYS A 15 -6.213 -10.816 -33.863 1.00 0.00 C ATOM 170 O CYS A 15 -5.480 -10.878 -34.842 1.00 0.00 O ATOM 171 CB CYS A 15 -5.171 -9.039 -32.439 1.00 0.00 C ATOM 172 SG CYS A 15 -3.901 -8.460 -33.542 1.00 0.00 S ATOM 0 H CYS A 15 -7.109 -9.759 -31.187 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.750 -8.753 -33.870 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.415 -8.242 -31.736 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.776 -9.870 -31.854 1.00 0.00 H new ATOM 0 HG CYS A 15 -3.887 -9.197 -34.613 1.00 0.00 H new ATOM 177 N LYS A 16 -6.859 -11.871 -33.391 1.00 0.00 N ATOM 178 CA LYS A 16 -6.700 -13.199 -33.982 1.00 0.00 C ATOM 179 C LYS A 16 -7.770 -13.462 -35.022 1.00 0.00 C ATOM 180 O LYS A 16 -7.846 -14.556 -35.590 1.00 0.00 O ATOM 181 CB LYS A 16 -6.785 -14.268 -32.890 1.00 0.00 C ATOM 182 CG LYS A 16 -5.875 -14.009 -31.712 1.00 0.00 C ATOM 183 CD LYS A 16 -4.443 -13.922 -32.158 1.00 0.00 C ATOM 184 CE LYS A 16 -3.527 -13.512 -31.014 1.00 0.00 C ATOM 185 NZ LYS A 16 -2.120 -13.339 -31.466 1.00 0.00 N ATOM 0 H LYS A 16 -7.501 -11.837 -32.599 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.724 -13.240 -34.466 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.814 -14.331 -32.536 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.537 -15.237 -33.323 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.165 -13.081 -31.219 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.985 -14.808 -30.978 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.124 -14.887 -32.553 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.357 -13.201 -32.971 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.886 -12.580 -30.578 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.566 -14.267 -30.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.528 -13.060 -30.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.769 -14.236 -31.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.079 -12.601 -32.197 1.00 0.00 H new ATOM 199 N GLN A 17 -8.586 -12.458 -35.282 1.00 0.00 N ATOM 200 CA GLN A 17 -9.712 -12.619 -36.179 1.00 0.00 C ATOM 201 C GLN A 17 -9.313 -12.339 -37.625 1.00 0.00 C ATOM 202 O GLN A 17 -8.246 -11.777 -37.890 1.00 0.00 O ATOM 203 CB GLN A 17 -10.863 -11.698 -35.765 1.00 0.00 C ATOM 204 CG GLN A 17 -11.182 -11.695 -34.265 1.00 0.00 C ATOM 205 CD GLN A 17 -11.282 -13.083 -33.638 1.00 0.00 C ATOM 206 OE1 GLN A 17 -12.334 -13.717 -33.679 1.00 0.00 O ATOM 207 NE2 GLN A 17 -10.229 -13.520 -33.007 1.00 0.00 N ATOM 0 H GLN A 17 -8.489 -11.524 -34.885 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.044 -13.655 -36.112 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.623 -10.680 -36.072 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.759 -11.993 -36.311 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.410 -11.129 -33.743 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.124 -11.170 -34.108 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.374 -12.964 -32.996 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.260 -14.418 -32.524 1.00 0.00 H new ATOM 216 N THR A 18 -10.175 -12.731 -38.552 1.00 0.00 N ATOM 217 CA THR A 18 -9.942 -12.526 -39.978 1.00 0.00 C ATOM 218 C THR A 18 -11.244 -12.136 -40.704 1.00 0.00 C ATOM 219 O THR A 18 -12.156 -12.950 -40.835 1.00 0.00 O ATOM 220 CB THR A 18 -9.324 -13.782 -40.639 1.00 0.00 C ATOM 221 OG1 THR A 18 -9.871 -14.973 -40.043 1.00 0.00 O ATOM 222 CG2 THR A 18 -7.808 -13.785 -40.492 1.00 0.00 C ATOM 0 H THR A 18 -11.055 -13.200 -38.339 1.00 0.00 H new ATOM 0 HA THR A 18 -9.231 -11.705 -40.071 1.00 0.00 H new ATOM 0 HB THR A 18 -9.569 -13.762 -41.701 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.476 -15.763 -40.468 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.398 -14.678 -40.965 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.394 -12.898 -40.972 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.545 -13.781 -39.434 1.00 0.00 H new ATOM 230 N PRO A 19 -11.344 -10.873 -41.183 1.00 0.00 N ATOM 231 CA PRO A 19 -10.268 -9.888 -41.065 1.00 0.00 C ATOM 232 C PRO A 19 -10.098 -9.404 -39.637 1.00 0.00 C ATOM 233 O PRO A 19 -10.919 -9.715 -38.763 1.00 0.00 O ATOM 234 CB PRO A 19 -10.741 -8.741 -41.958 1.00 0.00 C ATOM 235 CG PRO A 19 -12.224 -8.839 -41.931 1.00 0.00 C ATOM 236 CD PRO A 19 -12.532 -10.308 -41.859 1.00 0.00 C ATOM 0 HA PRO A 19 -9.300 -10.299 -41.352 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.400 -7.777 -41.581 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.354 -8.842 -42.972 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.636 -8.310 -41.072 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.663 -8.390 -42.822 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.445 -10.500 -41.295 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.673 -10.738 -42.850 1.00 0.00 H new ATOM 244 N CYS A 20 -9.037 -8.656 -39.407 1.00 0.00 N ATOM 245 CA CYS A 20 -8.730 -8.127 -38.094 1.00 0.00 C ATOM 246 C CYS A 20 -9.942 -7.400 -37.515 1.00 0.00 C ATOM 247 O CYS A 20 -10.561 -6.576 -38.190 1.00 0.00 O ATOM 248 CB CYS A 20 -7.543 -7.180 -38.192 1.00 0.00 C ATOM 249 SG CYS A 20 -6.350 -7.357 -36.859 1.00 0.00 S ATOM 0 H CYS A 20 -8.362 -8.398 -40.127 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.476 -8.952 -37.428 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.037 -7.347 -39.143 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.911 -6.154 -38.202 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.796 -6.757 -35.795 1.00 0.00 H new ATOM 254 N GLY A 21 -10.281 -7.715 -36.276 1.00 0.00 N ATOM 255 CA GLY A 21 -11.442 -7.113 -35.652 1.00 0.00 C ATOM 256 C GLY A 21 -11.105 -5.845 -34.914 1.00 0.00 C ATOM 257 O GLY A 21 -11.937 -5.291 -34.198 1.00 0.00 O ATOM 0 H GLY A 21 -9.773 -8.377 -35.689 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.190 -6.898 -36.415 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.889 -7.826 -34.959 1.00 0.00 H new ATOM 261 N CYS A 22 -9.893 -5.380 -35.102 1.00 0.00 N ATOM 262 CA CYS A 22 -9.409 -4.185 -34.427 1.00 0.00 C ATOM 263 C CYS A 22 -9.801 -2.909 -35.175 1.00 0.00 C ATOM 264 O CYS A 22 -9.140 -1.879 -35.027 1.00 0.00 O ATOM 265 CB CYS A 22 -7.904 -4.245 -34.324 1.00 0.00 C ATOM 266 SG CYS A 22 -7.285 -5.739 -33.558 1.00 0.00 S ATOM 0 H CYS A 22 -9.211 -5.813 -35.724 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.866 -4.155 -33.438 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -7.478 -4.158 -35.324 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -7.555 -3.385 -33.753 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.986 -5.699 -33.517 1.00 0.00 H new ATOM 271 N GLY A 23 -10.869 -2.987 -35.963 1.00 0.00 N ATOM 272 CA GLY A 23 -11.333 -1.848 -36.748 1.00 0.00 C ATOM 273 C GLY A 23 -11.484 -0.575 -35.936 1.00 0.00 C ATOM 274 O GLY A 23 -12.494 -0.381 -35.256 1.00 0.00 O ATOM 0 H GLY A 23 -11.431 -3.831 -36.075 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.632 -1.669 -37.563 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.292 -2.096 -37.202 1.00 0.00 H new ATOM 278 N SER A 24 -10.456 0.279 -36.002 1.00 0.00 N ATOM 279 CA SER A 24 -10.429 1.566 -35.304 1.00 0.00 C ATOM 280 C SER A 24 -10.446 1.403 -33.775 1.00 0.00 C ATOM 281 O SER A 24 -10.792 2.341 -33.044 1.00 0.00 O ATOM 282 CB SER A 24 -11.595 2.438 -35.762 1.00 0.00 C ATOM 283 OG SER A 24 -11.580 2.605 -37.168 1.00 0.00 O ATOM 0 H SER A 24 -9.614 0.093 -36.546 1.00 0.00 H new ATOM 0 HA SER A 24 -9.490 2.056 -35.562 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.537 1.983 -35.456 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.539 3.412 -35.276 1.00 0.00 H new ATOM 0 HG SER A 24 -12.337 3.166 -37.439 1.00 0.00 H new ATOM 289 N GLY A 25 -10.047 0.235 -33.293 1.00 0.00 N ATOM 290 CA GLY A 25 -10.030 0.002 -31.864 1.00 0.00 C ATOM 291 C GLY A 25 -9.526 -1.375 -31.507 1.00 0.00 C ATOM 292 O GLY A 25 -10.175 -2.378 -31.809 1.00 0.00 O ATOM 0 H GLY A 25 -9.736 -0.552 -33.863 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.400 0.751 -31.385 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.037 0.131 -31.466 1.00 0.00 H new ATOM 296 N CYS A 26 -8.370 -1.428 -30.872 1.00 0.00 N ATOM 297 CA CYS A 26 -7.788 -2.687 -30.459 1.00 0.00 C ATOM 298 C CYS A 26 -7.376 -2.648 -28.992 1.00 0.00 C ATOM 299 O CYS A 26 -7.071 -1.583 -28.446 1.00 0.00 O ATOM 300 CB CYS A 26 -6.584 -3.036 -31.330 1.00 0.00 C ATOM 301 SG CYS A 26 -6.056 -1.725 -32.474 1.00 0.00 S ATOM 0 H CYS A 26 -7.814 -0.607 -30.631 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.548 -3.459 -30.582 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.746 -3.290 -30.680 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.820 -3.929 -31.909 1.00 0.00 H new ATOM 0 HG CYS A 26 -7.007 -1.484 -33.327 1.00 0.00 H new ATOM 306 N ASN A 27 -7.379 -3.813 -28.357 1.00 0.00 N ATOM 307 CA ASN A 27 -6.982 -3.937 -26.957 1.00 0.00 C ATOM 308 C ASN A 27 -5.511 -4.317 -26.847 1.00 0.00 C ATOM 309 O ASN A 27 -4.994 -4.525 -25.750 1.00 0.00 O ATOM 310 CB ASN A 27 -7.841 -4.987 -26.231 1.00 0.00 C ATOM 311 CG ASN A 27 -9.295 -4.574 -26.077 1.00 0.00 C ATOM 312 OD1 ASN A 27 -9.614 -3.390 -25.962 1.00 0.00 O ATOM 313 ND2 ASN A 27 -10.187 -5.549 -26.061 1.00 0.00 N ATOM 0 H ASN A 27 -7.654 -4.693 -28.792 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.137 -2.968 -26.483 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.794 -5.927 -26.781 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.417 -5.173 -25.244 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.178 -5.332 -25.951 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.885 -6.518 -26.159 1.00 0.00 H new ATOM 320 N CYS A 28 -4.840 -4.415 -27.987 1.00 0.00 N ATOM 321 CA CYS A 28 -3.434 -4.762 -28.002 1.00 0.00 C ATOM 322 C CYS A 28 -2.567 -3.516 -27.962 1.00 0.00 C ATOM 323 O CYS A 28 -2.983 -2.439 -28.406 1.00 0.00 O ATOM 324 CB CYS A 28 -3.086 -5.626 -29.227 1.00 0.00 C ATOM 325 SG CYS A 28 -3.628 -4.957 -30.817 1.00 0.00 S ATOM 0 H CYS A 28 -5.249 -4.259 -28.908 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.229 -5.350 -27.107 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.005 -5.765 -29.259 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.531 -6.612 -29.095 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.278 -5.768 -31.771 1.00 0.00 H new ATOM 330 N LYS A 29 -1.377 -3.657 -27.406 1.00 0.00 N ATOM 331 CA LYS A 29 -0.438 -2.551 -27.304 1.00 0.00 C ATOM 332 C LYS A 29 0.158 -2.230 -28.670 1.00 0.00 C ATOM 333 O LYS A 29 0.033 -3.017 -29.609 1.00 0.00 O ATOM 334 CB LYS A 29 0.685 -2.892 -26.323 1.00 0.00 C ATOM 335 CG LYS A 29 0.210 -3.360 -24.952 1.00 0.00 C ATOM 336 CD LYS A 29 -0.741 -2.365 -24.304 1.00 0.00 C ATOM 337 CE LYS A 29 -0.957 -2.692 -22.856 1.00 0.00 C ATOM 338 NZ LYS A 29 -2.017 -1.860 -22.246 1.00 0.00 N ATOM 0 H LYS A 29 -1.035 -4.534 -27.015 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.979 -1.679 -26.937 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.309 -3.670 -26.762 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.316 -2.013 -26.194 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.288 -4.324 -25.051 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.072 -3.512 -24.303 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.337 -1.357 -24.396 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.696 -2.375 -24.829 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.223 -3.745 -22.759 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.025 -2.547 -22.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.131 -2.121 -21.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.753 -0.856 -22.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.914 -2.017 -22.749 1.00 0.00 H new ATOM 352 N GLU A 30 0.838 -1.093 -28.770 1.00 0.00 N ATOM 353 CA GLU A 30 1.447 -0.672 -30.046 1.00 0.00 C ATOM 354 C GLU A 30 2.668 -1.528 -30.377 1.00 0.00 C ATOM 355 O GLU A 30 3.236 -1.438 -31.470 1.00 0.00 O ATOM 356 CB GLU A 30 1.844 0.802 -30.009 1.00 0.00 C ATOM 357 CG GLU A 30 2.982 1.110 -29.057 1.00 0.00 C ATOM 358 CD GLU A 30 3.374 2.563 -29.079 1.00 0.00 C ATOM 359 OE1 GLU A 30 4.249 2.937 -29.880 1.00 0.00 O ATOM 360 OE2 GLU A 30 2.810 3.339 -28.284 1.00 0.00 O ATOM 0 H GLU A 30 0.986 -0.445 -27.996 1.00 0.00 H new ATOM 0 HA GLU A 30 0.698 -0.811 -30.825 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.129 1.116 -31.013 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.975 1.395 -29.724 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.690 0.831 -28.045 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.846 0.500 -29.319 1.00 0.00 H new ATOM 367 N ASP A 31 3.059 -2.361 -29.423 1.00 0.00 N ATOM 368 CA ASP A 31 4.190 -3.266 -29.584 1.00 0.00 C ATOM 369 C ASP A 31 3.858 -4.376 -30.567 1.00 0.00 C ATOM 370 O ASP A 31 4.713 -5.199 -30.906 1.00 0.00 O ATOM 371 CB ASP A 31 4.587 -3.865 -28.232 1.00 0.00 C ATOM 372 CG ASP A 31 5.248 -2.858 -27.324 1.00 0.00 C ATOM 373 OD1 ASP A 31 6.486 -2.741 -27.369 1.00 0.00 O ATOM 374 OD2 ASP A 31 4.531 -2.186 -26.550 1.00 0.00 O ATOM 0 H ASP A 31 2.601 -2.429 -28.514 1.00 0.00 H new ATOM 0 HA ASP A 31 5.029 -2.694 -29.980 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.700 -4.264 -27.741 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.265 -4.703 -28.395 1.00 0.00 H new ATOM 379 N CYS A 32 2.618 -4.394 -31.016 1.00 0.00 N ATOM 380 CA CYS A 32 2.162 -5.373 -31.968 1.00 0.00 C ATOM 381 C CYS A 32 2.735 -5.069 -33.356 1.00 0.00 C ATOM 382 O CYS A 32 2.823 -3.910 -33.767 1.00 0.00 O ATOM 383 CB CYS A 32 0.639 -5.388 -32.012 1.00 0.00 C ATOM 384 SG CYS A 32 -0.048 -6.734 -32.985 1.00 0.00 S ATOM 0 H CYS A 32 1.902 -3.727 -30.727 1.00 0.00 H new ATOM 0 HA CYS A 32 2.512 -6.358 -31.658 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.257 -5.457 -30.994 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.288 -4.441 -32.421 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.346 -6.667 -32.963 1.00 0.00 H new ATOM 389 N ARG A 33 3.115 -6.111 -34.073 1.00 0.00 N ATOM 390 CA ARG A 33 3.729 -5.956 -35.386 1.00 0.00 C ATOM 391 C ARG A 33 2.715 -6.094 -36.512 1.00 0.00 C ATOM 392 O ARG A 33 3.085 -6.113 -37.689 1.00 0.00 O ATOM 393 CB ARG A 33 4.841 -6.988 -35.574 1.00 0.00 C ATOM 394 CG ARG A 33 6.079 -6.742 -34.727 1.00 0.00 C ATOM 395 CD ARG A 33 6.710 -5.402 -35.059 1.00 0.00 C ATOM 396 NE ARG A 33 6.915 -5.234 -36.506 1.00 0.00 N ATOM 397 CZ ARG A 33 7.304 -4.096 -37.089 1.00 0.00 C ATOM 398 NH1 ARG A 33 7.605 -3.036 -36.351 1.00 0.00 N ATOM 399 NH2 ARG A 33 7.410 -4.029 -38.411 1.00 0.00 N ATOM 0 H ARG A 33 3.010 -7.079 -33.769 1.00 0.00 H new ATOM 0 HA ARG A 33 4.145 -4.949 -35.430 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.446 -7.976 -35.339 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.132 -7.003 -36.624 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.812 -6.770 -33.671 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.803 -7.540 -34.894 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.073 -4.599 -34.687 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.667 -5.314 -34.544 1.00 0.00 H new ATOM 0 HE ARG A 33 6.749 -6.042 -37.106 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.540 -3.087 -35.334 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.901 -2.169 -36.800 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.194 -4.846 -38.982 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.707 -3.160 -38.855 1.00 0.00 H new ATOM 413 N CYS A 34 1.448 -6.168 -36.167 1.00 0.00 N ATOM 414 CA CYS A 34 0.412 -6.361 -37.163 1.00 0.00 C ATOM 415 C CYS A 34 0.199 -5.105 -37.984 1.00 0.00 C ATOM 416 O CYS A 34 -0.086 -4.054 -37.445 1.00 0.00 O ATOM 417 CB CYS A 34 -0.892 -6.759 -36.510 1.00 0.00 C ATOM 418 SG CYS A 34 -1.925 -7.764 -37.569 1.00 0.00 S ATOM 0 H CYS A 34 1.109 -6.098 -35.208 1.00 0.00 H new ATOM 0 HA CYS A 34 0.743 -7.162 -37.824 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.680 -7.307 -35.592 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.439 -5.860 -36.225 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.023 -8.068 -36.942 1.00 0.00 H new ATOM 423 N GLN A 35 0.316 -5.223 -39.293 1.00 0.00 N ATOM 424 CA GLN A 35 0.132 -4.078 -40.175 1.00 0.00 C ATOM 425 C GLN A 35 -1.338 -3.737 -40.343 1.00 0.00 C ATOM 426 O GLN A 35 -1.686 -2.649 -40.796 1.00 0.00 O ATOM 427 CB GLN A 35 0.779 -4.336 -41.534 1.00 0.00 C ATOM 428 CG GLN A 35 2.293 -4.368 -41.481 1.00 0.00 C ATOM 429 CD GLN A 35 2.865 -3.071 -40.947 1.00 0.00 C ATOM 430 OE1 GLN A 35 3.031 -2.989 -39.630 1.00 0.00 O flip ATOM 431 NE2 GLN A 35 3.152 -2.150 -41.703 1.00 0.00 N flip ATOM 0 H GLN A 35 0.537 -6.096 -39.772 1.00 0.00 H new ATOM 0 HA GLN A 35 0.622 -3.222 -39.712 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.416 -5.286 -41.927 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.463 -3.561 -42.232 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.617 -5.195 -40.850 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.688 -4.555 -42.480 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.010 -2.252 -42.708 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.533 -1.282 -41.327 1.00 0.00 H new ATOM 440 N SER A 36 -2.197 -4.660 -39.949 1.00 0.00 N ATOM 441 CA SER A 36 -3.625 -4.470 -40.079 1.00 0.00 C ATOM 442 C SER A 36 -4.125 -3.374 -39.136 1.00 0.00 C ATOM 443 O SER A 36 -5.141 -2.736 -39.404 1.00 0.00 O ATOM 444 CB SER A 36 -4.363 -5.781 -39.817 1.00 0.00 C ATOM 445 OG SER A 36 -5.687 -5.738 -40.330 1.00 0.00 O ATOM 0 H SER A 36 -1.926 -5.552 -39.535 1.00 0.00 H new ATOM 0 HA SER A 36 -3.831 -4.152 -41.101 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.819 -6.606 -40.277 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.392 -5.977 -38.745 1.00 0.00 H new ATOM 0 HG SER A 36 -5.853 -6.535 -40.875 1.00 0.00 H new ATOM 451 N CYS A 37 -3.418 -3.162 -38.036 1.00 0.00 N ATOM 452 CA CYS A 37 -3.795 -2.123 -37.089 1.00 0.00 C ATOM 453 C CYS A 37 -2.606 -1.226 -36.717 1.00 0.00 C ATOM 454 O CYS A 37 -2.780 -0.174 -36.103 1.00 0.00 O ATOM 455 CB CYS A 37 -4.422 -2.748 -35.848 1.00 0.00 C ATOM 456 SG CYS A 37 -3.532 -4.189 -35.236 1.00 0.00 S ATOM 0 H CYS A 37 -2.585 -3.692 -37.778 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.534 -1.482 -37.571 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.469 -1.998 -35.058 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.448 -3.035 -36.076 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.132 -4.654 -34.180 1.00 0.00 H new ATOM 461 N LYS A 38 -1.404 -1.636 -37.107 1.00 0.00 N ATOM 462 CA LYS A 38 -0.204 -0.860 -36.838 1.00 0.00 C ATOM 463 C LYS A 38 0.407 -0.433 -38.150 1.00 0.00 C ATOM 464 O LYS A 38 1.390 -0.999 -38.608 1.00 0.00 O ATOM 465 CB LYS A 38 0.824 -1.669 -36.017 1.00 0.00 C ATOM 466 CG LYS A 38 1.834 -0.831 -35.212 1.00 0.00 C ATOM 467 CD LYS A 38 2.710 0.080 -36.078 1.00 0.00 C ATOM 468 CE LYS A 38 3.892 -0.669 -36.663 1.00 0.00 C ATOM 469 NZ LYS A 38 4.878 -1.038 -35.619 1.00 0.00 N ATOM 0 H LYS A 38 -1.237 -2.506 -37.613 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.481 0.014 -36.248 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.283 -2.317 -35.327 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.376 -2.318 -36.697 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.292 -0.220 -34.491 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.476 -1.502 -34.642 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.111 0.501 -36.885 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.070 0.916 -35.478 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.540 -1.570 -37.165 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.376 -0.051 -37.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.802 -1.216 -36.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.966 -0.260 -34.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.558 -1.897 -35.128 1.00 0.00 H new ATOM 528 N CYS A 43 -0.701 3.717 -44.635 1.00 0.00 N ATOM 529 CA CYS A 43 -1.726 2.887 -45.217 1.00 0.00 C ATOM 530 C CYS A 43 -3.113 3.459 -44.918 1.00 0.00 C ATOM 531 O CYS A 43 -3.317 4.100 -43.887 1.00 0.00 O ATOM 532 CB CYS A 43 -1.600 1.456 -44.718 1.00 0.00 C ATOM 533 SG CYS A 43 -2.266 0.230 -45.857 1.00 0.00 S ATOM 0 HA CYS A 43 -1.594 2.877 -46.299 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.548 1.236 -44.535 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.115 1.368 -43.761 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.114 -0.959 -45.353 1.00 0.00 H new ATOM 538 N THR A 44 -4.052 3.207 -45.819 1.00 0.00 N ATOM 539 CA THR A 44 -5.402 3.747 -45.727 1.00 0.00 C ATOM 540 C THR A 44 -6.154 3.261 -44.478 1.00 0.00 C ATOM 541 O THR A 44 -5.997 2.110 -44.041 1.00 0.00 O ATOM 542 CB THR A 44 -6.201 3.395 -46.995 1.00 0.00 C ATOM 543 OG1 THR A 44 -5.951 2.029 -47.350 1.00 0.00 O ATOM 544 CG2 THR A 44 -5.791 4.294 -48.149 1.00 0.00 C ATOM 0 H THR A 44 -3.898 2.619 -46.638 1.00 0.00 H new ATOM 0 HA THR A 44 -5.305 4.829 -45.639 1.00 0.00 H new ATOM 0 HB THR A 44 -7.262 3.541 -46.793 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.460 1.802 -48.156 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.366 4.031 -49.037 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.984 5.334 -47.886 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.728 4.163 -48.353 1.00 0.00 H new ATOM 552 N ASP A 45 -6.973 4.146 -43.916 1.00 0.00 N ATOM 553 CA ASP A 45 -7.764 3.842 -42.722 1.00 0.00 C ATOM 554 C ASP A 45 -8.982 3.012 -43.085 1.00 0.00 C ATOM 555 O ASP A 45 -9.491 2.252 -42.267 1.00 0.00 O ATOM 556 CB ASP A 45 -8.199 5.126 -42.016 1.00 0.00 C ATOM 557 CG ASP A 45 -7.028 5.980 -41.583 1.00 0.00 C ATOM 558 OD1 ASP A 45 -6.574 6.823 -42.387 1.00 0.00 O ATOM 559 OD2 ASP A 45 -6.555 5.817 -40.442 1.00 0.00 O ATOM 0 H ASP A 45 -7.108 5.092 -44.272 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.136 3.267 -42.041 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.838 5.704 -42.684 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.799 4.870 -41.143 1.00 0.00 H new ATOM 564 N VAL A 46 -9.448 3.159 -44.323 1.00 0.00 N ATOM 565 CA VAL A 46 -10.572 2.363 -44.829 1.00 0.00 C ATOM 566 C VAL A 46 -10.154 0.892 -44.895 1.00 0.00 C ATOM 567 O VAL A 46 -10.977 -0.024 -44.822 1.00 0.00 O ATOM 568 CB VAL A 46 -11.010 2.852 -46.239 1.00 0.00 C ATOM 569 CG1 VAL A 46 -12.161 2.020 -46.783 1.00 0.00 C ATOM 570 CG2 VAL A 46 -11.401 4.317 -46.191 1.00 0.00 C ATOM 0 H VAL A 46 -9.066 3.822 -44.998 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.419 2.479 -44.153 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.161 2.731 -46.912 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.442 2.389 -47.770 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.852 0.978 -46.860 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.015 2.097 -46.110 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.705 4.645 -47.185 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.230 4.450 -45.496 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.549 4.910 -45.858 1.00 0.00 H new ATOM 580 N CYS A 47 -8.860 0.699 -44.989 1.00 0.00 N ATOM 581 CA CYS A 47 -8.250 -0.611 -45.046 1.00 0.00 C ATOM 582 C CYS A 47 -8.131 -1.195 -43.629 1.00 0.00 C ATOM 583 O CYS A 47 -7.800 -2.361 -43.441 1.00 0.00 O ATOM 584 CB CYS A 47 -6.869 -0.456 -45.693 1.00 0.00 C ATOM 585 SG CYS A 47 -5.967 -1.973 -45.990 1.00 0.00 S ATOM 0 H CYS A 47 -8.186 1.464 -45.029 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.859 -1.297 -45.636 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.991 0.063 -46.644 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.261 0.186 -45.056 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.287 -2.852 -45.087 1.00 0.00 H new ATOM 590 N LYS A 48 -8.411 -0.361 -42.638 1.00 0.00 N ATOM 591 CA LYS A 48 -8.330 -0.757 -41.238 1.00 0.00 C ATOM 592 C LYS A 48 -9.733 -1.020 -40.670 1.00 0.00 C ATOM 593 O LYS A 48 -9.920 -1.065 -39.457 1.00 0.00 O ATOM 594 CB LYS A 48 -7.641 0.357 -40.433 1.00 0.00 C ATOM 595 CG LYS A 48 -6.353 0.870 -41.074 1.00 0.00 C ATOM 596 CD LYS A 48 -5.226 -0.141 -40.971 1.00 0.00 C ATOM 597 CE LYS A 48 -4.138 0.122 -42.007 1.00 0.00 C ATOM 598 NZ LYS A 48 -4.586 -0.204 -43.387 1.00 0.00 N ATOM 0 H LYS A 48 -8.700 0.607 -42.780 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.750 -1.677 -41.163 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.334 1.190 -40.315 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.416 -0.015 -39.433 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.537 1.102 -42.123 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.052 1.799 -40.590 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.794 -0.104 -39.971 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.625 -1.146 -41.109 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.841 1.170 -41.961 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.256 -0.470 -41.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.758 -0.290 -44.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.108 -1.103 -43.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.206 0.553 -43.739 1.00 0.00 H new ATOM 612 N GLN A 49 -10.713 -1.179 -41.563 1.00 0.00 N ATOM 613 CA GLN A 49 -12.101 -1.437 -41.163 1.00 0.00 C ATOM 614 C GLN A 49 -12.331 -2.913 -40.831 1.00 0.00 C ATOM 615 O GLN A 49 -11.483 -3.766 -41.102 1.00 0.00 O ATOM 616 CB GLN A 49 -13.071 -1.026 -42.276 1.00 0.00 C ATOM 617 CG GLN A 49 -13.224 0.468 -42.475 1.00 0.00 C ATOM 618 CD GLN A 49 -14.282 0.801 -43.516 1.00 0.00 C ATOM 619 OE1 GLN A 49 -15.212 0.034 -43.740 1.00 0.00 O ATOM 620 NE2 GLN A 49 -14.159 1.956 -44.131 1.00 0.00 N ATOM 0 H GLN A 49 -10.571 -1.134 -42.572 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.287 -0.842 -40.269 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.733 -1.469 -43.213 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.051 -1.450 -42.058 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.490 0.934 -41.526 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.268 0.892 -42.782 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.370 2.566 -43.917 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -14.852 2.242 -44.823 1.00 0.00 H new ATOM 629 N THR A 50 -13.497 -3.204 -40.263 1.00 0.00 N ATOM 630 CA THR A 50 -13.884 -4.565 -39.929 1.00 0.00 C ATOM 631 C THR A 50 -15.361 -4.814 -40.299 1.00 0.00 C ATOM 632 O THR A 50 -16.264 -4.411 -39.564 1.00 0.00 O ATOM 633 CB THR A 50 -13.698 -4.849 -38.422 1.00 0.00 C ATOM 634 OG1 THR A 50 -12.348 -4.564 -38.032 1.00 0.00 O ATOM 635 CG2 THR A 50 -14.025 -6.303 -38.103 1.00 0.00 C ATOM 0 H THR A 50 -14.197 -2.502 -40.023 1.00 0.00 H new ATOM 0 HA THR A 50 -13.239 -5.233 -40.501 1.00 0.00 H new ATOM 0 HB THR A 50 -14.380 -4.206 -37.866 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.801 -5.371 -38.133 1.00 0.00 H new ATOM 0 HG21 THR A 50 -13.887 -6.481 -37.037 1.00 0.00 H new ATOM 0 HG22 THR A 50 -15.060 -6.511 -38.375 1.00 0.00 H new ATOM 0 HG23 THR A 50 -13.362 -6.958 -38.669 1.00 0.00 H new ATOM 643 N PRO A 51 -15.633 -5.454 -41.461 1.00 0.00 N ATOM 644 CA PRO A 51 -14.591 -5.893 -42.407 1.00 0.00 C ATOM 645 C PRO A 51 -14.009 -4.721 -43.217 1.00 0.00 C ATOM 646 O PRO A 51 -14.590 -3.631 -43.246 1.00 0.00 O ATOM 647 CB PRO A 51 -15.348 -6.854 -43.327 1.00 0.00 C ATOM 648 CG PRO A 51 -16.754 -6.360 -43.313 1.00 0.00 C ATOM 649 CD PRO A 51 -16.997 -5.820 -41.930 1.00 0.00 C ATOM 0 HA PRO A 51 -13.735 -6.342 -41.902 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.935 -6.845 -44.336 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.285 -7.881 -42.966 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.901 -5.585 -44.065 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.451 -7.165 -43.544 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.662 -4.956 -41.946 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.459 -6.565 -41.282 1.00 0.00 H new ATOM 657 N CYS A 52 -12.860 -4.957 -43.865 1.00 0.00 N ATOM 658 CA CYS A 52 -12.172 -3.930 -44.661 1.00 0.00 C ATOM 659 C CYS A 52 -13.102 -3.335 -45.706 1.00 0.00 C ATOM 660 O CYS A 52 -13.915 -4.046 -46.307 1.00 0.00 O ATOM 661 CB CYS A 52 -10.949 -4.522 -45.354 1.00 0.00 C ATOM 662 SG CYS A 52 -10.065 -3.373 -46.441 1.00 0.00 S ATOM 0 H CYS A 52 -12.383 -5.859 -43.853 1.00 0.00 H new ATOM 0 HA CYS A 52 -11.856 -3.140 -43.979 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.258 -4.886 -44.594 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.263 -5.386 -45.939 1.00 0.00 H new ATOM 0 HG CYS A 52 -9.045 -3.978 -46.974 1.00 0.00 H new ATOM 667 N GLY A 53 -12.972 -2.040 -45.936 1.00 0.00 N ATOM 668 CA GLY A 53 -13.836 -1.390 -46.875 1.00 0.00 C ATOM 669 C GLY A 53 -13.134 -0.961 -48.145 1.00 0.00 C ATOM 670 O GLY A 53 -13.730 -0.289 -48.978 1.00 0.00 O ATOM 0 H GLY A 53 -12.284 -1.435 -45.488 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.654 -2.064 -47.131 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.281 -0.515 -46.402 1.00 0.00 H new ATOM 674 N CYS A 54 -11.873 -1.343 -48.311 1.00 0.00 N ATOM 675 CA CYS A 54 -11.134 -0.979 -49.516 1.00 0.00 C ATOM 676 C CYS A 54 -11.750 -1.633 -50.742 1.00 0.00 C ATOM 677 O CYS A 54 -11.782 -1.052 -51.820 1.00 0.00 O ATOM 678 CB CYS A 54 -9.667 -1.358 -49.392 1.00 0.00 C ATOM 679 SG CYS A 54 -8.719 -0.284 -48.290 1.00 0.00 S ATOM 0 H CYS A 54 -11.346 -1.898 -47.637 1.00 0.00 H new ATOM 0 HA CYS A 54 -11.196 0.103 -49.633 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.597 -2.384 -49.031 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.212 -1.337 -50.382 1.00 0.00 H new ATOM 0 HG CYS A 54 -9.089 0.950 -48.463 1.00 0.00 H new ATOM 684 N ALA A 55 -12.283 -2.827 -50.553 1.00 0.00 N ATOM 685 CA ALA A 55 -12.919 -3.563 -51.632 1.00 0.00 C ATOM 686 C ALA A 55 -14.360 -3.097 -51.826 1.00 0.00 C ATOM 687 O ALA A 55 -15.131 -3.706 -52.569 1.00 0.00 O ATOM 688 CB ALA A 55 -12.883 -5.048 -51.334 1.00 0.00 C ATOM 0 H ALA A 55 -12.288 -3.311 -49.655 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.371 -3.372 -52.555 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.362 -5.594 -52.147 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.848 -5.375 -51.238 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.414 -5.245 -50.403 1.00 0.00 H new ATOM 694 N THR A 56 -14.713 -2.020 -51.154 1.00 0.00 N ATOM 695 CA THR A 56 -16.053 -1.478 -51.221 1.00 0.00 C ATOM 696 C THR A 56 -16.043 0.021 -51.584 1.00 0.00 C ATOM 697 O THR A 56 -16.767 0.459 -52.481 1.00 0.00 O ATOM 698 CB THR A 56 -16.776 -1.672 -49.872 1.00 0.00 C ATOM 699 OG1 THR A 56 -16.734 -3.060 -49.493 1.00 0.00 O ATOM 700 CG2 THR A 56 -18.221 -1.209 -49.959 1.00 0.00 C ATOM 0 H THR A 56 -14.080 -1.498 -50.548 1.00 0.00 H new ATOM 0 HA THR A 56 -16.584 -2.018 -52.005 1.00 0.00 H new ATOM 0 HB THR A 56 -16.266 -1.071 -49.119 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.193 -3.179 -48.635 1.00 0.00 H new ATOM 0 HG21 THR A 56 -18.709 -1.356 -48.995 1.00 0.00 H new ATOM 0 HG22 THR A 56 -18.249 -0.152 -50.222 1.00 0.00 H new ATOM 0 HG23 THR A 56 -18.743 -1.787 -50.722 1.00 0.00 H new ATOM 708 N SER A 57 -15.221 0.792 -50.896 1.00 0.00 N ATOM 709 CA SER A 57 -15.166 2.230 -51.108 1.00 0.00 C ATOM 710 C SER A 57 -13.909 2.642 -51.872 1.00 0.00 C ATOM 711 O SER A 57 -13.672 3.827 -52.093 1.00 0.00 O ATOM 712 CB SER A 57 -15.200 2.942 -49.758 1.00 0.00 C ATOM 713 OG SER A 57 -16.266 2.463 -48.954 1.00 0.00 O ATOM 0 H SER A 57 -14.579 0.446 -50.182 1.00 0.00 H new ATOM 0 HA SER A 57 -16.030 2.516 -51.708 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.253 2.791 -49.240 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.311 4.015 -49.912 1.00 0.00 H new ATOM 0 HG SER A 57 -16.265 2.934 -48.094 1.00 0.00 H new ATOM 719 N GLY A 58 -13.116 1.666 -52.278 1.00 0.00 N ATOM 720 CA GLY A 58 -11.878 1.966 -52.967 1.00 0.00 C ATOM 721 C GLY A 58 -10.738 2.173 -51.991 1.00 0.00 C ATOM 722 O GLY A 58 -10.963 2.252 -50.775 1.00 0.00 O ATOM 0 H GLY A 58 -13.305 0.673 -52.144 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.632 1.151 -53.648 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.006 2.862 -53.575 1.00 0.00 H new ATOM 726 N CYS A 59 -9.525 2.271 -52.502 1.00 0.00 N ATOM 727 CA CYS A 59 -8.359 2.442 -51.653 1.00 0.00 C ATOM 728 C CYS A 59 -7.221 3.117 -52.403 1.00 0.00 C ATOM 729 O CYS A 59 -7.385 3.543 -53.548 1.00 0.00 O ATOM 730 CB CYS A 59 -7.900 1.093 -51.133 1.00 0.00 C ATOM 731 SG CYS A 59 -7.626 -0.135 -52.426 1.00 0.00 S ATOM 0 H CYS A 59 -9.321 2.235 -53.501 1.00 0.00 H new ATOM 0 HA CYS A 59 -8.641 3.083 -50.817 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.976 1.227 -50.571 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.645 0.711 -50.435 1.00 0.00 H new ATOM 0 HG CYS A 59 -7.235 -1.252 -51.888 1.00 0.00 H new ATOM 736 N ASN A 60 -6.072 3.222 -51.745 1.00 0.00 N ATOM 737 CA ASN A 60 -4.888 3.825 -52.348 1.00 0.00 C ATOM 738 C ASN A 60 -3.727 2.838 -52.374 1.00 0.00 C ATOM 739 O ASN A 60 -2.668 3.126 -52.932 1.00 0.00 O ATOM 740 CB ASN A 60 -4.466 5.100 -51.598 1.00 0.00 C ATOM 741 CG ASN A 60 -5.341 6.307 -51.911 1.00 0.00 C ATOM 742 OD1 ASN A 60 -6.531 6.180 -52.196 1.00 0.00 O ATOM 743 ND2 ASN A 60 -4.755 7.485 -51.860 1.00 0.00 N ATOM 0 H ASN A 60 -5.935 2.895 -50.788 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.148 4.094 -53.372 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.496 4.908 -50.525 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.432 5.335 -51.851 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.290 8.330 -52.060 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.766 7.553 -51.620 1.00 0.00 H new ATOM 750 N CYS A 61 -3.921 1.676 -51.764 1.00 0.00 N ATOM 751 CA CYS A 61 -2.885 0.660 -51.735 1.00 0.00 C ATOM 752 C CYS A 61 -3.107 -0.371 -52.840 1.00 0.00 C ATOM 753 O CYS A 61 -4.037 -0.239 -53.641 1.00 0.00 O ATOM 754 CB CYS A 61 -2.799 0.000 -50.352 1.00 0.00 C ATOM 755 SG CYS A 61 -4.376 -0.533 -49.660 1.00 0.00 S ATOM 0 H CYS A 61 -4.784 1.417 -51.285 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.926 1.143 -51.923 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -2.139 -0.865 -50.420 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.335 0.702 -49.660 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.178 -1.076 -48.495 1.00 0.00 H new ATOM 760 N THR A 62 -2.255 -1.381 -52.895 1.00 0.00 N ATOM 761 CA THR A 62 -2.337 -2.381 -53.945 1.00 0.00 C ATOM 762 C THR A 62 -2.321 -3.791 -53.374 1.00 0.00 C ATOM 763 O THR A 62 -2.352 -3.984 -52.160 1.00 0.00 O ATOM 764 CB THR A 62 -1.154 -2.240 -54.923 1.00 0.00 C ATOM 765 OG1 THR A 62 0.078 -2.278 -54.197 1.00 0.00 O ATOM 766 CG2 THR A 62 -1.244 -0.943 -55.713 1.00 0.00 C ATOM 0 H THR A 62 -1.500 -1.530 -52.226 1.00 0.00 H new ATOM 0 HA THR A 62 -3.279 -2.215 -54.468 1.00 0.00 H new ATOM 0 HB THR A 62 -1.193 -3.071 -55.627 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.701 -1.622 -54.575 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.396 -0.872 -56.394 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.171 -0.929 -56.286 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.229 -0.097 -55.026 1.00 0.00 H new ATOM 774 N ASP A 63 -2.234 -4.778 -54.270 1.00 0.00 N ATOM 775 CA ASP A 63 -2.156 -6.195 -53.889 1.00 0.00 C ATOM 776 C ASP A 63 -0.801 -6.500 -53.225 1.00 0.00 C ATOM 777 O ASP A 63 -0.505 -7.637 -52.872 1.00 0.00 O ATOM 778 CB ASP A 63 -2.351 -7.088 -55.125 1.00 0.00 C ATOM 779 CG ASP A 63 -3.745 -7.025 -55.706 1.00 0.00 C ATOM 780 OD1 ASP A 63 -4.451 -8.047 -55.677 1.00 0.00 O ATOM 781 OD2 ASP A 63 -4.135 -5.951 -56.220 1.00 0.00 O ATOM 0 H ASP A 63 -2.216 -4.620 -55.278 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.950 -6.405 -53.172 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.634 -6.794 -55.891 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.125 -8.120 -54.856 1.00 0.00 H new ATOM 786 N ASP A 64 0.021 -5.463 -53.096 1.00 0.00 N ATOM 787 CA ASP A 64 1.318 -5.545 -52.422 1.00 0.00 C ATOM 788 C ASP A 64 1.108 -5.497 -50.915 1.00 0.00 C ATOM 789 O ASP A 64 2.006 -5.808 -50.129 1.00 0.00 O ATOM 790 CB ASP A 64 2.197 -4.361 -52.859 1.00 0.00 C ATOM 791 CG ASP A 64 3.569 -4.341 -52.202 1.00 0.00 C ATOM 792 OD1 ASP A 64 4.449 -5.110 -52.633 1.00 0.00 O ATOM 793 OD2 ASP A 64 3.781 -3.537 -51.271 1.00 0.00 O ATOM 0 H ASP A 64 -0.193 -4.534 -53.458 1.00 0.00 H new ATOM 0 HA ASP A 64 1.811 -6.480 -52.690 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.323 -4.394 -53.941 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.679 -3.430 -52.626 1.00 0.00 H new ATOM 798 N CYS A 65 -0.093 -5.107 -50.528 1.00 0.00 N ATOM 799 CA CYS A 65 -0.458 -4.990 -49.137 1.00 0.00 C ATOM 800 C CYS A 65 -0.597 -6.373 -48.507 1.00 0.00 C ATOM 801 O CYS A 65 -0.735 -7.376 -49.207 1.00 0.00 O ATOM 802 CB CYS A 65 -1.778 -4.218 -49.014 1.00 0.00 C ATOM 803 SG CYS A 65 -2.243 -3.790 -47.322 1.00 0.00 S ATOM 0 H CYS A 65 -0.842 -4.863 -51.176 1.00 0.00 H new ATOM 0 HA CYS A 65 0.326 -4.447 -48.609 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.704 -3.302 -49.599 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.576 -4.815 -49.456 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.369 -3.140 -47.333 1.00 0.00 H new ATOM 808 N LYS A 66 -0.558 -6.421 -47.188 1.00 0.00 N ATOM 809 CA LYS A 66 -0.698 -7.677 -46.471 1.00 0.00 C ATOM 810 C LYS A 66 -2.141 -8.000 -46.221 1.00 0.00 C ATOM 811 O LYS A 66 -2.456 -8.974 -45.551 1.00 0.00 O ATOM 812 CB LYS A 66 0.017 -7.633 -45.142 1.00 0.00 C ATOM 813 CG LYS A 66 1.512 -7.733 -45.236 1.00 0.00 C ATOM 814 CD LYS A 66 2.110 -8.004 -43.875 1.00 0.00 C ATOM 815 CE LYS A 66 1.624 -9.338 -43.304 1.00 0.00 C ATOM 816 NZ LYS A 66 2.292 -9.681 -42.029 1.00 0.00 N ATOM 0 H LYS A 66 -0.430 -5.604 -46.590 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.252 -8.448 -47.100 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.241 -6.703 -44.635 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.351 -8.448 -44.519 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.786 -8.531 -45.926 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.920 -6.807 -45.641 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.197 -8.014 -43.950 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.844 -7.197 -43.193 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.547 -9.292 -43.146 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.806 -10.129 -44.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.930 -10.592 -41.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.318 -9.752 -42.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.098 -8.940 -41.325 1.00 0.00 H new ATOM 830 N CYS A 67 -3.015 -7.184 -46.730 1.00 0.00 N ATOM 831 CA CYS A 67 -4.409 -7.391 -46.524 1.00 0.00 C ATOM 832 C CYS A 67 -4.965 -8.353 -47.553 1.00 0.00 C ATOM 833 O CYS A 67 -4.612 -8.297 -48.726 1.00 0.00 O ATOM 834 CB CYS A 67 -5.154 -6.076 -46.564 1.00 0.00 C ATOM 835 SG CYS A 67 -6.866 -6.229 -46.080 1.00 0.00 S ATOM 0 H CYS A 67 -2.781 -6.366 -47.293 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.547 -7.832 -45.537 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.658 -5.364 -45.905 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.103 -5.666 -47.573 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.439 -5.063 -46.137 1.00 0.00 H new ATOM 840 N GLN A 68 -5.830 -9.238 -47.103 1.00 0.00 N ATOM 841 CA GLN A 68 -6.417 -10.238 -47.972 1.00 0.00 C ATOM 842 C GLN A 68 -7.793 -9.794 -48.456 1.00 0.00 C ATOM 843 O GLN A 68 -8.457 -10.506 -49.199 1.00 0.00 O ATOM 844 CB GLN A 68 -6.545 -11.589 -47.241 1.00 0.00 C ATOM 845 CG GLN A 68 -5.245 -12.145 -46.641 1.00 0.00 C ATOM 846 CD GLN A 68 -4.815 -11.452 -45.349 1.00 0.00 C ATOM 847 OE1 GLN A 68 -5.641 -10.908 -44.610 1.00 0.00 O ATOM 848 NE2 GLN A 68 -3.538 -11.505 -45.055 1.00 0.00 N ATOM 0 H GLN A 68 -6.144 -9.285 -46.134 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.757 -10.357 -48.832 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.276 -11.480 -46.440 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.945 -12.324 -47.940 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.372 -13.210 -46.446 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.446 -12.049 -47.377 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.887 -11.964 -45.692 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.196 -11.088 -44.189 1.00 0.00 H new ATOM 857 N SER A 69 -8.203 -8.612 -48.044 1.00 0.00 N ATOM 858 CA SER A 69 -9.525 -8.113 -48.373 1.00 0.00 C ATOM 859 C SER A 69 -9.582 -7.495 -49.773 1.00 0.00 C ATOM 860 O SER A 69 -10.403 -7.890 -50.601 1.00 0.00 O ATOM 861 CB SER A 69 -9.960 -7.094 -47.335 1.00 0.00 C ATOM 862 OG SER A 69 -9.735 -7.585 -46.020 1.00 0.00 O ATOM 0 H SER A 69 -7.639 -7.977 -47.479 1.00 0.00 H new ATOM 0 HA SER A 69 -10.208 -8.963 -48.369 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.411 -6.164 -47.480 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.017 -6.863 -47.466 1.00 0.00 H new ATOM 0 HG SER A 69 -8.844 -7.312 -45.717 1.00 0.00 H new ATOM 868 N CYS A 70 -8.705 -6.540 -50.041 1.00 0.00 N ATOM 869 CA CYS A 70 -8.728 -5.839 -51.320 1.00 0.00 C ATOM 870 C CYS A 70 -7.724 -6.420 -52.316 1.00 0.00 C ATOM 871 O CYS A 70 -7.548 -5.893 -53.422 1.00 0.00 O ATOM 872 CB CYS A 70 -8.512 -4.335 -51.117 1.00 0.00 C ATOM 873 SG CYS A 70 -7.176 -3.921 -49.981 1.00 0.00 S ATOM 0 H CYS A 70 -7.974 -6.233 -49.399 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.717 -5.986 -51.755 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.305 -3.876 -52.084 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.437 -3.894 -50.746 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.076 -2.629 -49.882 1.00 0.00 H new ATOM 878 N SER A 71 -7.087 -7.513 -51.934 1.00 0.00 N ATOM 879 CA SER A 71 -6.150 -8.187 -52.812 1.00 0.00 C ATOM 880 C SER A 71 -6.861 -9.297 -53.587 1.00 0.00 C ATOM 881 O SER A 71 -7.870 -9.842 -53.124 1.00 0.00 O ATOM 882 CB SER A 71 -4.977 -8.753 -52.015 1.00 0.00 C ATOM 883 OG SER A 71 -4.311 -7.723 -51.302 1.00 0.00 O ATOM 0 H SER A 71 -7.202 -7.952 -51.021 1.00 0.00 H new ATOM 0 HA SER A 71 -5.756 -7.462 -53.524 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.336 -9.511 -51.318 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.277 -9.246 -52.689 1.00 0.00 H new ATOM 0 HG SER A 71 -4.112 -8.030 -50.393 1.00 0.00 H new ATOM 889 N THR A 72 -6.346 -9.612 -54.758 1.00 0.00 N ATOM 890 CA THR A 72 -6.943 -10.613 -55.623 1.00 0.00 C ATOM 891 C THR A 72 -6.571 -12.043 -55.218 1.00 0.00 C ATOM 892 O THR A 72 -5.530 -12.288 -54.583 1.00 0.00 O ATOM 893 CB THR A 72 -6.554 -10.373 -57.094 1.00 0.00 C ATOM 894 OG1 THR A 72 -5.150 -10.083 -57.190 1.00 0.00 O ATOM 895 CG2 THR A 72 -7.355 -9.223 -57.678 1.00 0.00 C ATOM 0 H THR A 72 -5.502 -9.183 -55.138 1.00 0.00 H new ATOM 0 HA THR A 72 -8.022 -10.508 -55.510 1.00 0.00 H new ATOM 0 HB THR A 72 -6.776 -11.277 -57.661 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.989 -9.155 -56.920 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.066 -9.069 -58.718 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.418 -9.458 -57.628 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.157 -8.315 -57.108 1.00 0.00 H new ATOM 903 N ALA A 73 -7.430 -12.979 -55.594 1.00 0.00 N ATOM 904 CA ALA A 73 -7.245 -14.386 -55.292 1.00 0.00 C ATOM 905 C ALA A 73 -6.264 -15.035 -56.271 1.00 0.00 C ATOM 906 O ALA A 73 -5.909 -14.451 -57.291 1.00 0.00 O ATOM 907 CB ALA A 73 -8.591 -15.092 -55.345 1.00 0.00 C ATOM 0 H ALA A 73 -8.280 -12.779 -56.121 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.824 -14.478 -54.291 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.456 -16.150 -55.119 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.264 -14.647 -54.612 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.018 -14.986 -56.342 1.00 0.00 H new ATOM 913 N CYS A 74 -5.821 -16.240 -55.944 1.00 0.00 N ATOM 914 CA CYS A 74 -4.905 -16.974 -56.801 1.00 0.00 C ATOM 915 C CYS A 74 -5.689 -18.006 -57.611 1.00 0.00 C ATOM 916 O CYS A 74 -6.867 -18.244 -57.336 1.00 0.00 O ATOM 917 CB CYS A 74 -3.817 -17.657 -55.961 1.00 0.00 C ATOM 918 SG CYS A 74 -2.178 -17.666 -56.735 1.00 0.00 S ATOM 0 H CYS A 74 -6.083 -16.730 -55.089 1.00 0.00 H new ATOM 0 HA CYS A 74 -4.415 -16.281 -57.485 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.748 -17.153 -54.997 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.119 -18.686 -55.763 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.380 -18.432 -56.052 1.00 0.00 H new ATOM 923 N LYS A 75 -5.046 -18.618 -58.597 1.00 0.00 N ATOM 924 CA LYS A 75 -5.731 -19.589 -59.457 1.00 0.00 C ATOM 925 C LYS A 75 -5.280 -21.016 -59.169 1.00 0.00 C ATOM 926 O LYS A 75 -5.699 -21.955 -59.848 1.00 0.00 O ATOM 927 CB LYS A 75 -5.493 -19.267 -60.938 1.00 0.00 C ATOM 928 CG LYS A 75 -5.921 -17.868 -61.358 1.00 0.00 C ATOM 929 CD LYS A 75 -7.403 -17.623 -61.117 1.00 0.00 C ATOM 930 CE LYS A 75 -7.807 -16.227 -61.573 1.00 0.00 C ATOM 931 NZ LYS A 75 -7.067 -15.164 -60.846 1.00 0.00 N ATOM 0 H LYS A 75 -4.063 -18.466 -58.824 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.796 -19.514 -59.237 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.432 -19.390 -61.157 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.030 -19.995 -61.546 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.338 -17.131 -60.806 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.698 -17.724 -62.415 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.990 -18.369 -61.653 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.627 -17.742 -60.057 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.623 -16.129 -62.643 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.878 -16.092 -61.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.665 -14.491 -61.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.717 -14.662 -60.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.300 -15.593 -60.290 1.00 0.00 H new ATOM 945 N CYS A 76 -4.431 -21.178 -58.175 1.00 0.00 N ATOM 946 CA CYS A 76 -3.925 -22.493 -57.818 1.00 0.00 C ATOM 947 C CYS A 76 -4.931 -23.292 -57.009 1.00 0.00 C ATOM 948 O CYS A 76 -5.935 -22.755 -56.525 1.00 0.00 O ATOM 949 CB CYS A 76 -2.627 -22.368 -57.038 1.00 0.00 C ATOM 950 SG CYS A 76 -1.270 -21.697 -57.992 1.00 0.00 S ATOM 0 H CYS A 76 -4.075 -20.416 -57.598 1.00 0.00 H new ATOM 0 HA CYS A 76 -3.743 -23.029 -58.749 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.797 -21.732 -56.169 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.344 -23.352 -56.663 1.00 0.00 H new ATOM 0 HG CYS A 76 -0.535 -20.942 -57.230 1.00 0.00 H new ATOM 955 N ALA A 77 -4.648 -24.571 -56.867 1.00 0.00 N ATOM 956 CA ALA A 77 -5.471 -25.469 -56.093 1.00 0.00 C ATOM 957 C ALA A 77 -4.633 -26.087 -54.989 1.00 0.00 C ATOM 958 O ALA A 77 -3.402 -25.974 -55.012 1.00 0.00 O ATOM 959 CB ALA A 77 -6.070 -26.546 -56.985 1.00 0.00 C ATOM 0 H ALA A 77 -3.834 -25.017 -57.290 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.295 -24.912 -55.646 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.687 -27.214 -56.384 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.684 -26.080 -57.756 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.269 -27.117 -57.454 1.00 0.00 H new ATOM 965 N ALA A 78 -5.289 -26.751 -54.048 1.00 0.00 N ATOM 966 CA ALA A 78 -4.621 -27.346 -52.881 1.00 0.00 C ATOM 967 C ALA A 78 -3.424 -28.220 -53.270 1.00 0.00 C ATOM 968 O ALA A 78 -2.408 -28.237 -52.574 1.00 0.00 O ATOM 969 CB ALA A 78 -5.616 -28.148 -52.061 1.00 0.00 C ATOM 0 H ALA A 78 -6.298 -26.897 -54.065 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.232 -26.524 -52.280 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.110 -28.584 -51.200 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.417 -27.493 -51.718 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.036 -28.944 -52.676 1.00 0.00 H new ATOM 975 N GLY A 79 -3.543 -28.928 -54.375 1.00 0.00 N ATOM 976 CA GLY A 79 -2.468 -29.782 -54.820 1.00 0.00 C ATOM 977 C GLY A 79 -2.004 -29.447 -56.221 1.00 0.00 C ATOM 978 O GLY A 79 -1.610 -30.335 -56.983 1.00 0.00 O ATOM 0 H GLY A 79 -4.368 -28.927 -54.975 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.628 -29.692 -54.131 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.797 -30.821 -54.788 1.00 0.00 H new ATOM 982 N SER A 80 -2.061 -28.175 -56.578 1.00 0.00 N ATOM 983 CA SER A 80 -1.635 -27.735 -57.900 1.00 0.00 C ATOM 984 C SER A 80 -1.146 -26.282 -57.870 1.00 0.00 C ATOM 985 O SER A 80 -1.941 -25.352 -57.734 1.00 0.00 O ATOM 986 CB SER A 80 -2.778 -27.901 -58.915 1.00 0.00 C ATOM 987 OG SER A 80 -3.178 -29.267 -59.019 1.00 0.00 O ATOM 0 H SER A 80 -2.398 -27.427 -55.972 1.00 0.00 H new ATOM 0 HA SER A 80 -0.799 -28.362 -58.211 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.629 -27.292 -58.612 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.457 -27.537 -59.891 1.00 0.00 H new ATOM 0 HG SER A 80 -3.907 -29.346 -59.669 1.00 0.00 H new ATOM 993 N CYS A 81 0.165 -26.107 -57.986 1.00 0.00 N ATOM 994 CA CYS A 81 0.792 -24.787 -57.979 1.00 0.00 C ATOM 995 C CYS A 81 1.440 -24.498 -59.337 1.00 0.00 C ATOM 996 O CYS A 81 2.083 -25.373 -59.923 1.00 0.00 O ATOM 997 CB CYS A 81 1.847 -24.719 -56.858 1.00 0.00 C ATOM 998 SG CYS A 81 2.919 -23.258 -56.900 1.00 0.00 S ATOM 0 H CYS A 81 0.826 -26.877 -58.088 1.00 0.00 H new ATOM 0 HA CYS A 81 0.028 -24.032 -57.795 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.335 -24.748 -55.896 1.00 0.00 H new ATOM 0 HB3 CYS A 81 2.472 -25.611 -56.913 1.00 0.00 H new ATOM 0 HG CYS A 81 3.761 -23.309 -55.911 1.00 0.00 H new ATOM 1003 N LYS A 82 1.258 -23.280 -59.841 1.00 0.00 N ATOM 1004 CA LYS A 82 1.846 -22.898 -61.126 1.00 0.00 C ATOM 1005 C LYS A 82 2.810 -21.729 -61.004 1.00 0.00 C ATOM 1006 O LYS A 82 3.882 -21.751 -61.606 1.00 0.00 O ATOM 1007 CB LYS A 82 0.786 -22.614 -62.201 1.00 0.00 C ATOM 1008 CG LYS A 82 -0.478 -21.941 -61.708 1.00 0.00 C ATOM 1009 CD LYS A 82 -1.469 -22.951 -61.144 1.00 0.00 C ATOM 1010 CE LYS A 82 -1.967 -23.909 -62.212 1.00 0.00 C ATOM 1011 NZ LYS A 82 -2.890 -24.921 -61.656 1.00 0.00 N ATOM 0 H LYS A 82 0.714 -22.546 -59.387 1.00 0.00 H new ATOM 0 HA LYS A 82 2.419 -23.767 -61.450 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.234 -21.987 -62.972 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.514 -23.557 -62.676 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.226 -21.210 -60.940 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.943 -21.394 -62.528 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.995 -23.516 -60.341 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.316 -22.423 -60.705 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.474 -23.347 -62.996 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.117 -24.409 -62.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.208 -25.556 -62.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.399 -25.474 -60.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.714 -24.446 -61.235 1.00 0.00 H new ATOM 1025 N CYS A 83 2.441 -20.707 -60.229 1.00 0.00 N ATOM 1026 CA CYS A 83 3.318 -19.554 -60.044 1.00 0.00 C ATOM 1027 C CYS A 83 4.619 -19.981 -59.361 1.00 0.00 C ATOM 1028 O CYS A 83 5.693 -19.434 -59.630 1.00 0.00 O ATOM 1029 CB CYS A 83 2.616 -18.463 -59.230 1.00 0.00 C ATOM 1030 SG CYS A 83 2.087 -18.994 -57.592 1.00 0.00 S ATOM 0 H CYS A 83 1.554 -20.655 -59.727 1.00 0.00 H new ATOM 0 HA CYS A 83 3.558 -19.144 -61.025 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.290 -17.613 -59.125 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.746 -18.113 -59.786 1.00 0.00 H new ATOM 0 HG CYS A 83 1.566 -17.987 -56.956 1.00 0.00 H new ATOM 1035 N GLY A 84 4.518 -20.982 -58.495 1.00 0.00 N ATOM 1036 CA GLY A 84 5.685 -21.503 -57.821 1.00 0.00 C ATOM 1037 C GLY A 84 5.958 -20.805 -56.515 1.00 0.00 C ATOM 1038 O GLY A 84 7.029 -20.971 -55.927 1.00 0.00 O ATOM 0 H GLY A 84 3.642 -21.442 -58.249 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.549 -22.569 -57.638 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.553 -21.400 -58.472 1.00 0.00 H new ATOM 1042 N LYS A 85 4.993 -20.034 -56.047 1.00 0.00 N ATOM 1043 CA LYS A 85 5.158 -19.287 -54.813 1.00 0.00 C ATOM 1044 C LYS A 85 4.739 -20.126 -53.611 1.00 0.00 C ATOM 1045 O LYS A 85 4.988 -19.758 -52.465 1.00 0.00 O ATOM 1046 CB LYS A 85 4.358 -17.986 -54.868 1.00 0.00 C ATOM 1047 CG LYS A 85 4.649 -17.130 -56.097 1.00 0.00 C ATOM 1048 CD LYS A 85 6.119 -16.732 -56.188 1.00 0.00 C ATOM 1049 CE LYS A 85 6.506 -15.732 -55.110 1.00 0.00 C ATOM 1050 NZ LYS A 85 7.910 -15.279 -55.264 1.00 0.00 N ATOM 0 H LYS A 85 4.089 -19.909 -56.502 1.00 0.00 H new ATOM 0 HA LYS A 85 6.214 -19.040 -54.700 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.295 -18.224 -54.847 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.571 -17.402 -53.973 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.367 -17.679 -56.995 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.032 -16.232 -56.066 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.742 -17.622 -56.097 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.318 -16.302 -57.170 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.838 -14.871 -55.155 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.375 -16.186 -54.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.140 -14.598 -54.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.548 -16.097 -55.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.028 -14.823 -56.191 1.00 0.00 H new ATOM 1064 N GLY A 86 4.109 -21.260 -53.885 1.00 0.00 N ATOM 1065 CA GLY A 86 3.703 -22.161 -52.825 1.00 0.00 C ATOM 1066 C GLY A 86 2.486 -21.669 -52.070 1.00 0.00 C ATOM 1067 O GLY A 86 2.480 -21.627 -50.840 1.00 0.00 O ATOM 0 H GLY A 86 3.871 -21.573 -54.826 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.489 -23.142 -53.250 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.530 -22.290 -52.127 1.00 0.00 H new ATOM 1071 N CYS A 87 1.473 -21.280 -52.803 1.00 0.00 N ATOM 1072 CA CYS A 87 0.230 -20.807 -52.216 1.00 0.00 C ATOM 1073 C CYS A 87 -0.809 -21.915 -52.201 1.00 0.00 C ATOM 1074 O CYS A 87 -1.522 -22.101 -51.214 1.00 0.00 O ATOM 1075 CB CYS A 87 -0.279 -19.632 -53.017 1.00 0.00 C ATOM 1076 SG CYS A 87 -0.001 -19.824 -54.786 1.00 0.00 S ATOM 0 H CYS A 87 1.480 -21.280 -53.823 1.00 0.00 H new ATOM 0 HA CYS A 87 0.415 -20.499 -51.187 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.346 -19.507 -52.833 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.213 -18.722 -52.673 1.00 0.00 H new ATOM 0 HG CYS A 87 1.051 -19.146 -55.136 1.00 0.00 H new ATOM 1081 N THR A 88 -0.876 -22.655 -53.311 1.00 0.00 N ATOM 1082 CA THR A 88 -1.819 -23.761 -53.488 1.00 0.00 C ATOM 1083 C THR A 88 -3.265 -23.348 -53.195 1.00 0.00 C ATOM 1084 O THR A 88 -4.003 -24.049 -52.499 1.00 0.00 O ATOM 1085 CB THR A 88 -1.428 -25.026 -52.667 1.00 0.00 C ATOM 1086 OG1 THR A 88 -1.156 -24.696 -51.293 1.00 0.00 O ATOM 1087 CG2 THR A 88 -0.210 -25.704 -53.281 1.00 0.00 C ATOM 0 H THR A 88 -0.272 -22.501 -54.118 1.00 0.00 H new ATOM 0 HA THR A 88 -1.758 -24.029 -54.543 1.00 0.00 H new ATOM 0 HB THR A 88 -2.275 -25.711 -52.695 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.627 -23.870 -51.056 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.050 -26.586 -52.695 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.437 -26.002 -54.305 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.630 -25.010 -53.283 1.00 0.00 H new ATOM 1095 N GLY A 89 -3.654 -22.201 -53.726 1.00 0.00 N ATOM 1096 CA GLY A 89 -5.010 -21.734 -53.564 1.00 0.00 C ATOM 1097 C GLY A 89 -5.066 -20.343 -52.987 1.00 0.00 C ATOM 1098 O GLY A 89 -4.106 -19.892 -52.371 1.00 0.00 O ATOM 0 H GLY A 89 -3.050 -21.583 -54.269 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.515 -21.746 -54.530 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.553 -22.418 -52.912 1.00 0.00 H new ATOM 1102 N PRO A 90 -6.183 -19.626 -53.181 1.00 0.00 N ATOM 1103 CA PRO A 90 -6.355 -18.262 -52.664 1.00 0.00 C ATOM 1104 C PRO A 90 -6.369 -18.208 -51.141 1.00 0.00 C ATOM 1105 O PRO A 90 -5.994 -17.201 -50.550 1.00 0.00 O ATOM 1106 CB PRO A 90 -7.720 -17.848 -53.216 1.00 0.00 C ATOM 1107 CG PRO A 90 -8.424 -19.132 -53.457 1.00 0.00 C ATOM 1108 CD PRO A 90 -7.369 -20.076 -53.932 1.00 0.00 C ATOM 0 HA PRO A 90 -5.534 -17.611 -52.964 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.263 -17.224 -52.506 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.619 -17.271 -54.135 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.898 -19.498 -52.546 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.212 -19.015 -54.201 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.621 -21.113 -53.710 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.218 -20.008 -55.009 1.00 0.00 H new ATOM 1116 N ASP A 91 -6.794 -19.298 -50.518 1.00 0.00 N ATOM 1117 CA ASP A 91 -6.875 -19.369 -49.064 1.00 0.00 C ATOM 1118 C ASP A 91 -5.502 -19.234 -48.429 1.00 0.00 C ATOM 1119 O ASP A 91 -5.298 -18.415 -47.533 1.00 0.00 O ATOM 1120 CB ASP A 91 -7.523 -20.681 -48.625 1.00 0.00 C ATOM 1121 CG ASP A 91 -7.464 -20.883 -47.126 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -8.359 -20.373 -46.418 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -6.526 -21.562 -46.653 1.00 0.00 O ATOM 0 H ASP A 91 -7.089 -20.148 -50.998 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.493 -18.537 -48.727 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.563 -20.695 -48.950 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.023 -21.513 -49.121 1.00 0.00 H new ATOM 1128 N SER A 92 -4.565 -20.026 -48.900 1.00 0.00 N ATOM 1129 CA SER A 92 -3.226 -20.005 -48.361 1.00 0.00 C ATOM 1130 C SER A 92 -2.296 -19.140 -49.207 1.00 0.00 C ATOM 1131 O SER A 92 -1.075 -19.161 -49.029 1.00 0.00 O ATOM 1132 CB SER A 92 -2.696 -21.426 -48.237 1.00 0.00 C ATOM 1133 OG SER A 92 -3.558 -22.200 -47.410 1.00 0.00 O ATOM 0 H SER A 92 -4.707 -20.694 -49.657 1.00 0.00 H new ATOM 0 HA SER A 92 -3.261 -19.557 -47.368 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.621 -21.882 -49.224 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.691 -21.412 -47.815 1.00 0.00 H new ATOM 0 HG SER A 92 -3.209 -23.113 -47.338 1.00 0.00 H new ATOM 1139 N CYS A 93 -2.876 -18.373 -50.123 1.00 0.00 N ATOM 1140 CA CYS A 93 -2.108 -17.460 -50.937 1.00 0.00 C ATOM 1141 C CYS A 93 -1.674 -16.266 -50.097 1.00 0.00 C ATOM 1142 O CYS A 93 -2.379 -15.261 -50.002 1.00 0.00 O ATOM 1143 CB CYS A 93 -2.921 -16.997 -52.153 1.00 0.00 C ATOM 1144 SG CYS A 93 -2.005 -15.972 -53.333 1.00 0.00 S ATOM 0 H CYS A 93 -3.878 -18.371 -50.315 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.222 -17.977 -51.305 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -3.301 -17.876 -52.675 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.787 -16.436 -51.801 1.00 0.00 H new ATOM 0 HG CYS A 93 -1.916 -16.595 -54.471 1.00 0.00 H new ATOM 1149 N LYS A 94 -0.533 -16.405 -49.451 1.00 0.00 N ATOM 1150 CA LYS A 94 0.007 -15.350 -48.619 1.00 0.00 C ATOM 1151 C LYS A 94 1.078 -14.593 -49.385 1.00 0.00 C ATOM 1152 O LYS A 94 1.945 -13.938 -48.801 1.00 0.00 O ATOM 1153 CB LYS A 94 0.571 -15.935 -47.314 1.00 0.00 C ATOM 1154 CG LYS A 94 -0.446 -16.768 -46.527 1.00 0.00 C ATOM 1155 CD LYS A 94 0.078 -17.181 -45.152 1.00 0.00 C ATOM 1156 CE LYS A 94 0.275 -15.977 -44.235 1.00 0.00 C ATOM 1157 NZ LYS A 94 -0.989 -15.217 -44.020 1.00 0.00 N ATOM 0 H LYS A 94 0.042 -17.247 -49.488 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.790 -14.654 -48.357 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.435 -16.557 -47.548 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.926 -15.120 -46.684 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.365 -16.194 -46.405 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.701 -17.660 -47.099 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.622 -17.878 -44.691 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.025 -17.709 -45.267 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.661 -16.315 -43.273 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.026 -15.314 -44.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.869 -14.563 -43.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.219 -14.676 -44.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.762 -15.881 -43.812 1.00 0.00 H new ATOM 1171 N CYS A 95 1.003 -14.685 -50.700 1.00 0.00 N ATOM 1172 CA CYS A 95 1.935 -14.021 -51.581 1.00 0.00 C ATOM 1173 C CYS A 95 1.475 -12.606 -51.873 1.00 0.00 C ATOM 1174 O CYS A 95 0.339 -12.233 -51.572 1.00 0.00 O ATOM 1175 CB CYS A 95 2.061 -14.797 -52.887 1.00 0.00 C ATOM 1176 SG CYS A 95 2.489 -16.532 -52.666 1.00 0.00 S ATOM 0 H CYS A 95 0.288 -15.227 -51.186 1.00 0.00 H new ATOM 0 HA CYS A 95 2.906 -13.981 -51.088 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.118 -14.732 -53.429 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.820 -14.322 -53.509 1.00 0.00 H new ATOM 0 HG CYS A 95 1.811 -17.257 -53.506 1.00 0.00 H new ATOM 1181 N ASP A 96 2.354 -11.831 -52.465 1.00 0.00 N ATOM 1182 CA ASP A 96 2.057 -10.459 -52.812 1.00 0.00 C ATOM 1183 C ASP A 96 1.466 -10.394 -54.212 1.00 0.00 C ATOM 1184 O ASP A 96 0.993 -11.396 -54.756 1.00 0.00 O ATOM 1185 CB ASP A 96 3.334 -9.602 -52.764 1.00 0.00 C ATOM 1186 CG ASP A 96 4.061 -9.675 -51.444 1.00 0.00 C ATOM 1187 OD1 ASP A 96 3.737 -8.878 -50.539 1.00 0.00 O ATOM 1188 OD2 ASP A 96 4.983 -10.515 -51.310 1.00 0.00 O ATOM 0 H ASP A 96 3.294 -12.133 -52.720 1.00 0.00 H new ATOM 0 HA ASP A 96 1.338 -10.071 -52.090 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.007 -9.924 -53.558 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.073 -8.564 -52.968 1.00 0.00 H new ATOM 1193 N ARG A 97 1.527 -9.220 -54.798 1.00 0.00 N ATOM 1194 CA ARG A 97 1.013 -8.981 -56.137 1.00 0.00 C ATOM 1195 C ARG A 97 1.956 -9.534 -57.212 1.00 0.00 C ATOM 1196 O ARG A 97 1.735 -9.333 -58.404 1.00 0.00 O ATOM 1197 CB ARG A 97 0.816 -7.487 -56.336 1.00 0.00 C ATOM 1198 CG ARG A 97 2.070 -6.652 -56.128 1.00 0.00 C ATOM 1199 CD ARG A 97 1.736 -5.179 -56.193 1.00 0.00 C ATOM 1200 NE ARG A 97 2.903 -4.318 -56.022 1.00 0.00 N ATOM 1201 CZ ARG A 97 2.899 -3.009 -56.297 1.00 0.00 C ATOM 1202 NH1 ARG A 97 1.811 -2.442 -56.809 1.00 0.00 N ATOM 1203 NH2 ARG A 97 3.981 -2.273 -56.072 1.00 0.00 N ATOM 0 H ARG A 97 1.937 -8.395 -54.360 1.00 0.00 H new ATOM 0 HA ARG A 97 0.060 -9.501 -56.238 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.443 -7.314 -57.345 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.045 -7.140 -55.647 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.516 -6.888 -55.162 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.810 -6.898 -56.890 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.269 -4.961 -57.153 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.003 -4.945 -55.421 1.00 0.00 H new ATOM 0 HE ARG A 97 3.766 -4.737 -55.675 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.980 -3.005 -56.992 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.807 -1.444 -57.019 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.821 -2.705 -55.688 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.972 -1.275 -56.284 1.00 0.00 H new ATOM 1217 N SER A 98 3.000 -10.229 -56.781 1.00 0.00 N ATOM 1218 CA SER A 98 3.976 -10.805 -57.694 1.00 0.00 C ATOM 1219 C SER A 98 3.382 -11.987 -58.470 1.00 0.00 C ATOM 1220 O SER A 98 3.889 -12.367 -59.530 1.00 0.00 O ATOM 1221 CB SER A 98 5.212 -11.249 -56.914 1.00 0.00 C ATOM 1222 OG SER A 98 5.756 -10.168 -56.168 1.00 0.00 O ATOM 0 H SER A 98 3.193 -10.408 -55.796 1.00 0.00 H new ATOM 0 HA SER A 98 4.261 -10.042 -58.418 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.949 -12.065 -56.241 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.963 -11.635 -57.603 1.00 0.00 H new ATOM 0 HG SER A 98 6.545 -10.475 -55.675 1.00 0.00 H new ATOM 1228 N CYS A 99 2.309 -12.555 -57.939 1.00 0.00 N ATOM 1229 CA CYS A 99 1.642 -13.684 -58.570 1.00 0.00 C ATOM 1230 C CYS A 99 1.076 -13.323 -59.925 1.00 0.00 C ATOM 1231 O CYS A 99 0.314 -12.366 -60.059 1.00 0.00 O ATOM 1232 CB CYS A 99 0.519 -14.198 -57.689 1.00 0.00 C ATOM 1233 SG CYS A 99 0.905 -15.703 -56.809 1.00 0.00 S ATOM 0 H CYS A 99 1.879 -12.249 -57.066 1.00 0.00 H new ATOM 0 HA CYS A 99 2.395 -14.460 -58.706 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.257 -13.425 -56.966 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -0.363 -14.368 -58.307 1.00 0.00 H new ATOM 0 HG CYS A 99 -0.156 -16.452 -56.744 1.00 0.00 H new ATOM 1238 N SER A 100 1.439 -14.095 -60.923 1.00 0.00 N ATOM 1239 CA SER A 100 0.906 -13.911 -62.252 1.00 0.00 C ATOM 1240 C SER A 100 -0.498 -14.505 -62.326 1.00 0.00 C ATOM 1241 O SER A 100 -1.252 -14.240 -63.260 1.00 0.00 O ATOM 1242 CB SER A 100 1.823 -14.572 -63.281 1.00 0.00 C ATOM 1243 OG SER A 100 3.160 -14.109 -63.137 1.00 0.00 O ATOM 0 H SER A 100 2.106 -14.862 -60.838 1.00 0.00 H new ATOM 0 HA SER A 100 0.851 -12.846 -62.475 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.793 -15.655 -63.159 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.464 -14.355 -64.287 1.00 0.00 H new ATOM 0 HG SER A 100 3.731 -14.545 -63.803 1.00 0.00 H new ATOM 1249 N CYS A 101 -0.847 -15.289 -61.307 1.00 0.00 N ATOM 1250 CA CYS A 101 -2.145 -15.940 -61.228 1.00 0.00 C ATOM 1251 C CYS A 101 -3.224 -14.998 -60.675 1.00 0.00 C ATOM 1252 O CYS A 101 -4.347 -15.422 -60.409 1.00 0.00 O ATOM 1253 CB CYS A 101 -2.048 -17.199 -60.361 1.00 0.00 C ATOM 1254 SG CYS A 101 -0.937 -18.461 -61.014 1.00 0.00 S ATOM 0 H CYS A 101 -0.235 -15.488 -60.515 1.00 0.00 H new ATOM 0 HA CYS A 101 -2.439 -16.218 -62.240 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -1.712 -16.915 -59.364 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -3.044 -17.629 -60.251 1.00 0.00 H new ATOM 0 HG CYS A 101 -0.587 -19.269 -60.057 1.00 0.00 H new ATOM 1259 N LYS A 102 -2.877 -13.731 -60.493 1.00 0.00 N ATOM 1260 CA LYS A 102 -3.837 -12.742 -60.011 1.00 0.00 C ATOM 1261 C LYS A 102 -4.721 -12.240 -61.151 1.00 0.00 C ATOM 1262 O LYS A 102 -5.651 -12.996 -61.549 1.00 0.00 O ATOM 1263 CB LYS A 102 -3.117 -11.563 -59.354 1.00 0.00 C ATOM 1264 CG LYS A 102 -2.296 -11.940 -58.132 1.00 0.00 C ATOM 1265 CD LYS A 102 -3.136 -12.682 -57.108 1.00 0.00 C ATOM 1266 CE LYS A 102 -2.346 -12.958 -55.838 1.00 0.00 C ATOM 1267 NZ LYS A 102 -3.165 -13.648 -54.817 1.00 0.00 N ATOM 0 H LYS A 102 -1.942 -13.363 -60.670 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.469 -13.227 -59.267 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.461 -11.096 -60.089 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.856 -10.815 -59.066 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.455 -12.563 -58.435 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.879 -11.040 -57.680 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.022 -12.094 -56.867 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.484 -13.623 -57.534 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.475 -13.568 -56.078 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -1.974 -12.018 -55.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.541 -14.085 -54.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.790 -12.960 -54.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.741 -14.384 -55.273 1.00 0.00 H new