USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 602 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 45 THR OG1 : rot 145:sc= 1.08 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0.0162 USER MOD Set 1.3: A 60 ASN : amide:sc= 0.545 X(o=1.6,f=1.2) USER MOD Set 2.1: A 3 MET CE :methyl -157:sc= 0 (180deg=0) USER MOD Set 2.2: A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -178:sc= -0.167 (180deg=-0.175) USER MOD Single : A 2 SER OG : rot 47:sc= 0.0421 USER MOD Single : A 5 SER OG : rot -141:sc= -1.64! USER MOD Single : A 12 THR OG1 : rot -161:sc= 0.276 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.837 K(o=-0.84,f=-2) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.754 X(o=-0.75,f=-0.34) USER MOD Single : A 30 THR OG1 : rot 80:sc= 0.837 USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.14) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 95:sc= 0.803 USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= 1.2 (180deg=1.05) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.396 K(o=-0.4,f=-1.5!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.879 F(o=-2,f=-0.88) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 160:sc= -0.444 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0718 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -44:sc= 0.664 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 9:sc= 0.943 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= -0.0277 (180deg=-0.261) USER MOD Single : A 98 SER OG : rot -46:sc= 0.249 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -150:sc= -0.173 (180deg=-1.16) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.058 6.758 6.956 1.00 0.00 N ATOM 2 CA GLY A 1 0.247 6.585 8.192 1.00 0.00 C ATOM 3 C GLY A 1 -0.366 7.889 8.668 1.00 0.00 C ATOM 4 O GLY A 1 -1.172 7.906 9.606 1.00 0.00 O ATOM 0 H1 GLY A 1 1.428 5.835 6.651 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.462 7.158 6.203 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.852 7.402 7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.546 5.861 8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.876 6.173 8.981 1.00 0.00 H new ATOM 7 N SER A 2 0.018 8.979 8.032 1.00 0.00 N ATOM 8 CA SER A 2 -0.498 10.282 8.382 1.00 0.00 C ATOM 9 C SER A 2 -1.592 10.716 7.399 1.00 0.00 C ATOM 10 O SER A 2 -1.308 11.163 6.284 1.00 0.00 O ATOM 11 CB SER A 2 0.646 11.300 8.444 1.00 0.00 C ATOM 12 OG SER A 2 1.511 11.177 7.322 1.00 0.00 O ATOM 0 H SER A 2 0.691 8.984 7.265 1.00 0.00 H new ATOM 0 HA SER A 2 -0.955 10.229 9.370 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.236 12.309 8.480 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.215 11.154 9.362 1.00 0.00 H new ATOM 0 HG SER A 2 0.977 11.118 6.502 1.00 0.00 H new ATOM 18 N MET A 3 -2.839 10.557 7.824 1.00 0.00 N ATOM 19 CA MET A 3 -4.007 10.868 6.998 1.00 0.00 C ATOM 20 C MET A 3 -4.138 12.364 6.721 1.00 0.00 C ATOM 21 O MET A 3 -4.222 13.172 7.646 1.00 0.00 O ATOM 22 CB MET A 3 -5.279 10.349 7.681 1.00 0.00 C ATOM 23 CG MET A 3 -6.578 10.752 6.995 1.00 0.00 C ATOM 24 SD MET A 3 -6.702 10.133 5.312 1.00 0.00 S ATOM 25 CE MET A 3 -8.322 10.742 4.854 1.00 0.00 C ATOM 0 H MET A 3 -3.073 10.208 8.753 1.00 0.00 H new ATOM 0 HA MET A 3 -3.871 10.371 6.038 1.00 0.00 H new ATOM 0 HB2 MET A 3 -5.231 9.261 7.729 1.00 0.00 H new ATOM 0 HB3 MET A 3 -5.298 10.713 8.708 1.00 0.00 H new ATOM 0 HG2 MET A 3 -7.421 10.379 7.577 1.00 0.00 H new ATOM 0 HG3 MET A 3 -6.655 11.839 6.983 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.723 10.135 4.042 1.00 0.00 H new ATOM 0 HE2 MET A 3 -8.989 10.684 5.714 1.00 0.00 H new ATOM 0 HE3 MET A 3 -8.242 11.778 4.526 1.00 0.00 H new ATOM 35 N SER A 4 -4.138 12.715 5.433 1.00 0.00 N ATOM 36 CA SER A 4 -4.321 14.095 4.965 1.00 0.00 C ATOM 37 C SER A 4 -3.175 15.030 5.376 1.00 0.00 C ATOM 38 O SER A 4 -3.235 16.235 5.135 1.00 0.00 O ATOM 39 CB SER A 4 -5.670 14.645 5.442 1.00 0.00 C ATOM 40 OG SER A 4 -6.733 13.796 5.021 1.00 0.00 O ATOM 0 H SER A 4 -4.010 12.044 4.676 1.00 0.00 H new ATOM 0 HA SER A 4 -4.310 14.061 3.876 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.672 14.728 6.529 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.820 15.649 5.046 1.00 0.00 H new ATOM 0 HG SER A 4 -7.587 14.160 5.335 1.00 0.00 H new ATOM 46 N SER A 5 -2.137 14.481 5.972 1.00 0.00 N ATOM 47 CA SER A 5 -0.998 15.276 6.369 1.00 0.00 C ATOM 48 C SER A 5 -0.184 15.663 5.139 1.00 0.00 C ATOM 49 O SER A 5 0.487 14.825 4.543 1.00 0.00 O ATOM 50 CB SER A 5 -0.141 14.496 7.352 1.00 0.00 C ATOM 51 OG SER A 5 -0.921 14.040 8.449 1.00 0.00 O ATOM 0 H SER A 5 -2.060 13.488 6.191 1.00 0.00 H new ATOM 0 HA SER A 5 -1.346 16.186 6.857 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.317 13.646 6.847 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.671 15.127 7.714 1.00 0.00 H new ATOM 0 HG SER A 5 -0.400 14.118 9.276 1.00 0.00 H new ATOM 57 N VAL A 6 -0.263 16.926 4.753 1.00 0.00 N ATOM 58 CA VAL A 6 0.426 17.407 3.566 1.00 0.00 C ATOM 59 C VAL A 6 1.842 17.893 3.906 1.00 0.00 C ATOM 60 O VAL A 6 2.677 18.092 3.018 1.00 0.00 O ATOM 61 CB VAL A 6 -0.384 18.541 2.867 1.00 0.00 C ATOM 62 CG1 VAL A 6 -0.434 19.797 3.725 1.00 0.00 C ATOM 63 CG2 VAL A 6 0.172 18.845 1.479 1.00 0.00 C ATOM 0 H VAL A 6 -0.800 17.639 5.246 1.00 0.00 H new ATOM 0 HA VAL A 6 0.509 16.569 2.874 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.406 18.184 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.006 20.568 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.911 19.568 4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.580 20.156 3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.415 19.640 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.211 19.164 1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.117 17.949 0.861 1.00 0.00 H new ATOM 73 N PHE A 7 2.110 18.062 5.194 1.00 0.00 N ATOM 74 CA PHE A 7 3.414 18.526 5.634 1.00 0.00 C ATOM 75 C PHE A 7 4.483 17.468 5.371 1.00 0.00 C ATOM 76 O PHE A 7 4.192 16.267 5.329 1.00 0.00 O ATOM 77 CB PHE A 7 3.394 18.913 7.127 1.00 0.00 C ATOM 78 CG PHE A 7 3.537 17.755 8.088 1.00 0.00 C ATOM 79 CD1 PHE A 7 4.740 17.534 8.744 1.00 0.00 C ATOM 80 CD2 PHE A 7 2.480 16.896 8.336 1.00 0.00 C ATOM 81 CE1 PHE A 7 4.883 16.481 9.624 1.00 0.00 C ATOM 82 CE2 PHE A 7 2.620 15.839 9.217 1.00 0.00 C ATOM 83 CZ PHE A 7 3.823 15.632 9.861 1.00 0.00 C ATOM 0 H PHE A 7 1.445 17.885 5.947 1.00 0.00 H new ATOM 0 HA PHE A 7 3.661 19.417 5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 7 4.200 19.623 7.314 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.458 19.430 7.341 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.575 18.195 8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 7 1.536 17.053 7.836 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.825 16.322 10.127 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.788 15.176 9.401 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.934 14.807 10.549 1.00 0.00 H new ATOM 93 N GLY A 8 5.707 17.919 5.187 1.00 0.00 N ATOM 94 CA GLY A 8 6.804 17.010 4.953 1.00 0.00 C ATOM 95 C GLY A 8 7.426 16.544 6.243 1.00 0.00 C ATOM 96 O GLY A 8 6.890 15.674 6.925 1.00 0.00 O ATOM 0 H GLY A 8 5.964 18.906 5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.448 16.148 4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.560 17.502 4.341 1.00 0.00 H new ATOM 100 N ALA A 9 8.557 17.125 6.576 1.00 0.00 N ATOM 101 CA ALA A 9 9.240 16.811 7.811 1.00 0.00 C ATOM 102 C ALA A 9 9.301 18.051 8.680 1.00 0.00 C ATOM 103 O ALA A 9 9.101 17.990 9.891 1.00 0.00 O ATOM 104 CB ALA A 9 10.638 16.287 7.523 1.00 0.00 C ATOM 0 H ALA A 9 9.027 17.825 6.002 1.00 0.00 H new ATOM 0 HA ALA A 9 8.691 16.033 8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.140 16.055 8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.570 15.385 6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.207 17.045 6.985 1.00 0.00 H new ATOM 110 N GLY A 10 9.561 19.180 8.046 1.00 0.00 N ATOM 111 CA GLY A 10 9.624 20.428 8.756 1.00 0.00 C ATOM 112 C GLY A 10 9.187 21.589 7.898 1.00 0.00 C ATOM 113 O GLY A 10 10.020 22.311 7.347 1.00 0.00 O ATOM 0 H GLY A 10 9.731 19.250 7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.991 20.373 9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.644 20.597 9.103 1.00 0.00 H new ATOM 117 N CYS A 11 7.883 21.755 7.749 1.00 0.00 N ATOM 118 CA CYS A 11 7.342 22.868 6.988 1.00 0.00 C ATOM 119 C CYS A 11 7.404 24.142 7.801 1.00 0.00 C ATOM 120 O CYS A 11 7.455 24.099 9.030 1.00 0.00 O ATOM 121 CB CYS A 11 5.898 22.598 6.594 1.00 0.00 C ATOM 122 SG CYS A 11 5.675 21.154 5.552 1.00 0.00 S ATOM 0 H CYS A 11 7.179 21.132 8.146 1.00 0.00 H new ATOM 0 HA CYS A 11 7.944 22.982 6.087 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.304 22.474 7.499 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.506 23.472 6.073 1.00 0.00 H new ATOM 127 N THR A 12 7.403 25.259 7.123 1.00 0.00 N ATOM 128 CA THR A 12 7.425 26.542 7.776 1.00 0.00 C ATOM 129 C THR A 12 6.013 26.981 8.115 1.00 0.00 C ATOM 130 O THR A 12 5.034 26.418 7.602 1.00 0.00 O ATOM 131 CB THR A 12 8.049 27.602 6.858 1.00 0.00 C ATOM 132 OG1 THR A 12 7.303 27.671 5.634 1.00 0.00 O ATOM 133 CG2 THR A 12 9.493 27.269 6.555 1.00 0.00 C ATOM 0 H THR A 12 7.387 25.306 6.104 1.00 0.00 H new ATOM 0 HA THR A 12 8.018 26.444 8.686 1.00 0.00 H new ATOM 0 HB THR A 12 8.017 28.566 7.366 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.846 28.106 4.944 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.914 28.034 5.903 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.061 27.232 7.485 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.547 26.300 6.059 1.00 0.00 H new ATOM 141 N ASP A 13 5.900 27.987 8.965 1.00 0.00 N ATOM 142 CA ASP A 13 4.605 28.567 9.283 1.00 0.00 C ATOM 143 C ASP A 13 4.113 29.340 8.073 1.00 0.00 C ATOM 144 O ASP A 13 2.924 29.618 7.926 1.00 0.00 O ATOM 145 CB ASP A 13 4.697 29.507 10.499 1.00 0.00 C ATOM 146 CG ASP A 13 4.922 28.777 11.809 1.00 0.00 C ATOM 147 OD1 ASP A 13 3.925 28.378 12.451 1.00 0.00 O ATOM 148 OD2 ASP A 13 6.095 28.610 12.212 1.00 0.00 O ATOM 0 H ASP A 13 6.688 28.419 9.447 1.00 0.00 H new ATOM 0 HA ASP A 13 3.909 27.766 9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.511 30.214 10.341 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.778 30.089 10.569 1.00 0.00 H new ATOM 153 N VAL A 14 5.058 29.656 7.201 1.00 0.00 N ATOM 154 CA VAL A 14 4.804 30.394 5.983 1.00 0.00 C ATOM 155 C VAL A 14 4.129 29.494 4.941 1.00 0.00 C ATOM 156 O VAL A 14 3.335 29.959 4.118 1.00 0.00 O ATOM 157 CB VAL A 14 6.126 30.948 5.406 1.00 0.00 C ATOM 158 CG1 VAL A 14 5.862 31.975 4.327 1.00 0.00 C ATOM 159 CG2 VAL A 14 6.990 31.536 6.511 1.00 0.00 C ATOM 0 H VAL A 14 6.038 29.401 7.326 1.00 0.00 H new ATOM 0 HA VAL A 14 4.139 31.225 6.220 1.00 0.00 H new ATOM 0 HB VAL A 14 6.668 30.118 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.810 32.347 3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.295 31.515 3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.291 32.804 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.916 31.920 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.452 32.348 7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.222 30.762 7.242 1.00 0.00 H new ATOM 169 N CYS A 15 4.441 28.201 4.994 1.00 0.00 N ATOM 170 CA CYS A 15 3.849 27.226 4.085 1.00 0.00 C ATOM 171 C CYS A 15 2.389 27.002 4.450 1.00 0.00 C ATOM 172 O CYS A 15 1.576 26.605 3.619 1.00 0.00 O ATOM 173 CB CYS A 15 4.624 25.898 4.150 1.00 0.00 C ATOM 174 SG CYS A 15 3.881 24.535 3.208 1.00 0.00 S ATOM 0 H CYS A 15 5.104 27.804 5.660 1.00 0.00 H new ATOM 0 HA CYS A 15 3.905 27.610 3.067 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.636 26.066 3.782 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.711 25.595 5.193 1.00 0.00 H new ATOM 179 N LYS A 16 2.060 27.292 5.697 1.00 0.00 N ATOM 180 CA LYS A 16 0.711 27.103 6.191 1.00 0.00 C ATOM 181 C LYS A 16 -0.170 28.309 5.844 1.00 0.00 C ATOM 182 O LYS A 16 -1.357 28.335 6.177 1.00 0.00 O ATOM 183 CB LYS A 16 0.733 26.857 7.710 1.00 0.00 C ATOM 184 CG LYS A 16 1.695 25.744 8.141 1.00 0.00 C ATOM 185 CD LYS A 16 1.265 24.379 7.614 1.00 0.00 C ATOM 186 CE LYS A 16 2.461 23.483 7.363 1.00 0.00 C ATOM 187 NZ LYS A 16 2.056 22.199 6.735 1.00 0.00 N ATOM 0 H LYS A 16 2.714 27.661 6.387 1.00 0.00 H new ATOM 0 HA LYS A 16 0.282 26.227 5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.012 27.782 8.215 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.274 26.604 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.698 25.972 7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.748 25.712 9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.597 23.904 8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.702 24.505 6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.173 23.997 6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.972 23.284 8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.898 21.609 6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.396 21.698 7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.591 22.389 5.825 1.00 0.00 H new ATOM 201 N GLN A 17 0.419 29.300 5.162 1.00 0.00 N ATOM 202 CA GLN A 17 -0.320 30.496 4.738 1.00 0.00 C ATOM 203 C GLN A 17 -1.334 30.157 3.652 1.00 0.00 C ATOM 204 O GLN A 17 -1.407 29.020 3.178 1.00 0.00 O ATOM 205 CB GLN A 17 0.623 31.588 4.210 1.00 0.00 C ATOM 206 CG GLN A 17 1.358 32.381 5.277 1.00 0.00 C ATOM 207 CD GLN A 17 2.100 33.581 4.691 1.00 0.00 C ATOM 208 OE1 GLN A 17 1.686 34.150 3.684 1.00 0.00 O ATOM 209 NE2 GLN A 17 3.187 33.970 5.325 1.00 0.00 N ATOM 0 H GLN A 17 1.403 29.297 4.893 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.839 30.871 5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.359 31.123 3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.044 32.281 3.599 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.646 32.726 6.027 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.068 31.730 5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.498 33.470 6.158 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.718 34.771 4.983 1.00 0.00 H new ATOM 218 N THR A 18 -2.097 31.151 3.254 1.00 0.00 N ATOM 219 CA THR A 18 -3.106 30.999 2.218 1.00 0.00 C ATOM 220 C THR A 18 -3.376 32.356 1.552 1.00 0.00 C ATOM 221 O THR A 18 -4.016 33.225 2.144 1.00 0.00 O ATOM 222 CB THR A 18 -4.427 30.428 2.790 1.00 0.00 C ATOM 223 OG1 THR A 18 -4.163 29.195 3.478 1.00 0.00 O ATOM 224 CG2 THR A 18 -5.432 30.171 1.676 1.00 0.00 C ATOM 0 H THR A 18 -2.038 32.094 3.639 1.00 0.00 H new ATOM 0 HA THR A 18 -2.725 30.293 1.480 1.00 0.00 H new ATOM 0 HB THR A 18 -4.845 31.160 3.481 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.000 28.837 3.840 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.352 29.770 2.101 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.648 31.106 1.159 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.016 29.453 0.969 1.00 0.00 H new ATOM 232 N PRO A 19 -2.870 32.570 0.315 1.00 0.00 N ATOM 233 CA PRO A 19 -2.101 31.570 -0.430 1.00 0.00 C ATOM 234 C PRO A 19 -0.743 31.328 0.195 1.00 0.00 C ATOM 235 O PRO A 19 -0.315 32.079 1.079 1.00 0.00 O ATOM 236 CB PRO A 19 -1.931 32.198 -1.826 1.00 0.00 C ATOM 237 CG PRO A 19 -2.866 33.356 -1.850 1.00 0.00 C ATOM 238 CD PRO A 19 -2.988 33.812 -0.434 1.00 0.00 C ATOM 0 HA PRO A 19 -2.602 30.602 -0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.902 32.519 -1.991 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.171 31.482 -2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.483 34.154 -2.486 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.837 33.066 -2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.204 34.521 -0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.941 34.307 -0.249 1.00 0.00 H new ATOM 246 N CYS A 20 -0.079 30.295 -0.263 1.00 0.00 N ATOM 247 CA CYS A 20 1.205 29.912 0.251 1.00 0.00 C ATOM 248 C CYS A 20 2.178 31.085 0.174 1.00 0.00 C ATOM 249 O CYS A 20 2.429 31.630 -0.907 1.00 0.00 O ATOM 250 CB CYS A 20 1.724 28.731 -0.536 1.00 0.00 C ATOM 251 SG CYS A 20 2.876 27.724 0.371 1.00 0.00 S ATOM 0 H CYS A 20 -0.422 29.693 -1.011 1.00 0.00 H new ATOM 0 HA CYS A 20 1.108 29.626 1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.881 28.114 -0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.207 29.093 -1.444 1.00 0.00 H new ATOM 256 N GLY A 21 2.727 31.467 1.315 1.00 0.00 N ATOM 257 CA GLY A 21 3.552 32.635 1.368 1.00 0.00 C ATOM 258 C GLY A 21 5.012 32.360 1.106 1.00 0.00 C ATOM 259 O GLY A 21 5.788 33.285 0.987 1.00 0.00 O ATOM 0 H GLY A 21 2.610 30.981 2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.191 33.357 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.449 33.097 2.350 1.00 0.00 H new ATOM 263 N CYS A 22 5.396 31.093 0.996 1.00 0.00 N ATOM 264 CA CYS A 22 6.809 30.751 0.741 1.00 0.00 C ATOM 265 C CYS A 22 7.270 31.260 -0.622 1.00 0.00 C ATOM 266 O CYS A 22 8.461 31.414 -0.865 1.00 0.00 O ATOM 267 CB CYS A 22 7.040 29.250 0.837 1.00 0.00 C ATOM 268 SG CYS A 22 7.056 28.588 2.514 1.00 0.00 S ATOM 0 H CYS A 22 4.769 30.292 1.076 1.00 0.00 H new ATOM 0 HA CYS A 22 7.400 31.245 1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.262 28.741 0.269 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.991 29.012 0.359 1.00 0.00 H new ATOM 273 N ALA A 23 6.326 31.546 -1.497 1.00 0.00 N ATOM 274 CA ALA A 23 6.652 32.047 -2.815 1.00 0.00 C ATOM 275 C ALA A 23 6.827 33.556 -2.774 1.00 0.00 C ATOM 276 O ALA A 23 7.265 34.173 -3.740 1.00 0.00 O ATOM 277 CB ALA A 23 5.569 31.660 -3.809 1.00 0.00 C ATOM 0 H ALA A 23 5.328 31.440 -1.318 1.00 0.00 H new ATOM 0 HA ALA A 23 7.591 31.599 -3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.827 32.043 -4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.486 30.574 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.616 32.085 -3.493 1.00 0.00 H new ATOM 283 N THR A 24 6.490 34.133 -1.645 1.00 0.00 N ATOM 284 CA THR A 24 6.569 35.541 -1.450 1.00 0.00 C ATOM 285 C THR A 24 7.604 35.884 -0.366 1.00 0.00 C ATOM 286 O THR A 24 8.375 36.833 -0.499 1.00 0.00 O ATOM 287 CB THR A 24 5.195 36.055 -1.013 1.00 0.00 C ATOM 288 OG1 THR A 24 4.206 35.701 -1.993 1.00 0.00 O ATOM 289 CG2 THR A 24 5.212 37.540 -0.824 1.00 0.00 C ATOM 0 H THR A 24 6.150 33.621 -0.831 1.00 0.00 H new ATOM 0 HA THR A 24 6.875 36.012 -2.384 1.00 0.00 H new ATOM 0 HB THR A 24 4.945 35.591 -0.059 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.329 36.031 -1.707 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.223 37.879 -0.514 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.942 37.801 -0.058 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.483 38.023 -1.763 1.00 0.00 H new ATOM 297 N SER A 25 7.627 35.081 0.676 1.00 0.00 N ATOM 298 CA SER A 25 8.471 35.330 1.831 1.00 0.00 C ATOM 299 C SER A 25 9.669 34.384 1.891 1.00 0.00 C ATOM 300 O SER A 25 10.470 34.446 2.827 1.00 0.00 O ATOM 301 CB SER A 25 7.628 35.198 3.097 1.00 0.00 C ATOM 302 OG SER A 25 6.585 36.153 3.103 1.00 0.00 O ATOM 0 H SER A 25 7.061 34.235 0.749 1.00 0.00 H new ATOM 0 HA SER A 25 8.873 36.340 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.209 34.194 3.158 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.258 35.334 3.976 1.00 0.00 H new ATOM 0 HG SER A 25 6.054 36.053 3.921 1.00 0.00 H new ATOM 308 N GLY A 26 9.789 33.512 0.914 1.00 0.00 N ATOM 309 CA GLY A 26 10.900 32.593 0.896 1.00 0.00 C ATOM 310 C GLY A 26 10.549 31.250 1.490 1.00 0.00 C ATOM 311 O GLY A 26 9.772 31.166 2.447 1.00 0.00 O ATOM 0 H GLY A 26 9.140 33.422 0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.237 32.455 -0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.734 33.025 1.450 1.00 0.00 H new ATOM 315 N CYS A 27 11.104 30.209 0.922 1.00 0.00 N ATOM 316 CA CYS A 27 10.865 28.859 1.384 1.00 0.00 C ATOM 317 C CYS A 27 12.023 28.360 2.242 1.00 0.00 C ATOM 318 O CYS A 27 13.171 28.782 2.071 1.00 0.00 O ATOM 319 CB CYS A 27 10.662 27.918 0.196 1.00 0.00 C ATOM 320 SG CYS A 27 10.468 26.180 0.655 1.00 0.00 S ATOM 0 H CYS A 27 11.736 30.271 0.124 1.00 0.00 H new ATOM 0 HA CYS A 27 9.961 28.870 1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 27 9.780 28.237 -0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.514 28.012 -0.478 1.00 0.00 H new ATOM 325 N ASN A 28 11.709 27.465 3.166 1.00 0.00 N ATOM 326 CA ASN A 28 12.708 26.864 4.040 1.00 0.00 C ATOM 327 C ASN A 28 12.282 25.433 4.395 1.00 0.00 C ATOM 328 O ASN A 28 12.864 24.787 5.257 1.00 0.00 O ATOM 329 CB ASN A 28 12.871 27.723 5.316 1.00 0.00 C ATOM 330 CG ASN A 28 14.001 27.258 6.229 1.00 0.00 C ATOM 331 OD1 ASN A 28 15.158 27.640 6.048 1.00 0.00 O ATOM 332 ND2 ASN A 28 13.668 26.452 7.228 1.00 0.00 N ATOM 0 H ASN A 28 10.758 27.135 3.332 1.00 0.00 H new ATOM 0 HA ASN A 28 13.670 26.824 3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.053 28.758 5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.935 27.709 5.875 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.382 26.126 7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.698 26.158 7.344 1.00 0.00 H new ATOM 339 N CYS A 29 11.282 24.931 3.691 1.00 0.00 N ATOM 340 CA CYS A 29 10.746 23.616 3.984 1.00 0.00 C ATOM 341 C CYS A 29 11.703 22.502 3.616 1.00 0.00 C ATOM 342 O CYS A 29 12.619 22.676 2.810 1.00 0.00 O ATOM 343 CB CYS A 29 9.409 23.408 3.297 1.00 0.00 C ATOM 344 SG CYS A 29 8.100 24.454 3.943 1.00 0.00 S ATOM 0 H CYS A 29 10.827 25.413 2.916 1.00 0.00 H new ATOM 0 HA CYS A 29 10.601 23.575 5.064 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.524 23.601 2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.114 22.364 3.402 1.00 0.00 H new ATOM 349 N THR A 30 11.477 21.365 4.226 1.00 0.00 N ATOM 350 CA THR A 30 12.273 20.181 4.010 1.00 0.00 C ATOM 351 C THR A 30 11.962 19.563 2.653 1.00 0.00 C ATOM 352 O THR A 30 10.879 19.767 2.117 1.00 0.00 O ATOM 353 CB THR A 30 11.969 19.156 5.110 1.00 0.00 C ATOM 354 OG1 THR A 30 10.534 18.991 5.218 1.00 0.00 O ATOM 355 CG2 THR A 30 12.533 19.621 6.446 1.00 0.00 C ATOM 0 H THR A 30 10.722 21.233 4.899 1.00 0.00 H new ATOM 0 HA THR A 30 13.326 20.461 4.037 1.00 0.00 H new ATOM 0 HB THR A 30 12.436 18.206 4.851 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.219 18.393 4.508 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.307 18.881 7.214 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.613 19.740 6.363 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.083 20.575 6.719 1.00 0.00 H new ATOM 363 N ASP A 31 12.899 18.789 2.115 1.00 0.00 N ATOM 364 CA ASP A 31 12.706 18.118 0.816 1.00 0.00 C ATOM 365 C ASP A 31 11.477 17.209 0.854 1.00 0.00 C ATOM 366 O ASP A 31 10.818 16.982 -0.165 1.00 0.00 O ATOM 367 CB ASP A 31 13.949 17.296 0.448 1.00 0.00 C ATOM 368 CG ASP A 31 13.813 16.595 -0.893 1.00 0.00 C ATOM 369 OD1 ASP A 31 14.090 17.228 -1.932 1.00 0.00 O ATOM 370 OD2 ASP A 31 13.439 15.402 -0.918 1.00 0.00 O ATOM 0 H ASP A 31 13.802 18.605 2.551 1.00 0.00 H new ATOM 0 HA ASP A 31 12.550 18.886 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.819 17.952 0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.131 16.553 1.225 1.00 0.00 H new ATOM 375 N ASP A 32 11.161 16.726 2.051 1.00 0.00 N ATOM 376 CA ASP A 32 10.025 15.833 2.278 1.00 0.00 C ATOM 377 C ASP A 32 8.693 16.565 2.093 1.00 0.00 C ATOM 378 O ASP A 32 7.633 15.947 2.134 1.00 0.00 O ATOM 379 CB ASP A 32 10.088 15.259 3.697 1.00 0.00 C ATOM 380 CG ASP A 32 11.414 14.602 4.015 1.00 0.00 C ATOM 381 OD1 ASP A 32 11.512 13.360 3.907 1.00 0.00 O ATOM 382 OD2 ASP A 32 12.367 15.327 4.387 1.00 0.00 O ATOM 0 H ASP A 32 11.687 16.943 2.897 1.00 0.00 H new ATOM 0 HA ASP A 32 10.084 15.028 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.905 16.059 4.414 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.288 14.529 3.823 1.00 0.00 H new ATOM 387 N CYS A 33 8.761 17.882 1.913 1.00 0.00 N ATOM 388 CA CYS A 33 7.573 18.710 1.732 1.00 0.00 C ATOM 389 C CYS A 33 6.764 18.222 0.537 1.00 0.00 C ATOM 390 O CYS A 33 7.321 17.934 -0.516 1.00 0.00 O ATOM 391 CB CYS A 33 7.988 20.170 1.527 1.00 0.00 C ATOM 392 SG CYS A 33 6.619 21.332 1.406 1.00 0.00 S ATOM 0 H CYS A 33 9.638 18.403 1.889 1.00 0.00 H new ATOM 0 HA CYS A 33 6.951 18.636 2.624 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.630 20.471 2.355 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.587 20.239 0.619 1.00 0.00 H new ATOM 397 N LYS A 34 5.453 18.125 0.699 1.00 0.00 N ATOM 398 CA LYS A 34 4.597 17.634 -0.370 1.00 0.00 C ATOM 399 C LYS A 34 3.768 18.760 -1.000 1.00 0.00 C ATOM 400 O LYS A 34 2.851 18.498 -1.775 1.00 0.00 O ATOM 401 CB LYS A 34 3.673 16.507 0.143 1.00 0.00 C ATOM 402 CG LYS A 34 4.420 15.265 0.644 1.00 0.00 C ATOM 403 CD LYS A 34 3.466 14.125 1.026 1.00 0.00 C ATOM 404 CE LYS A 34 2.549 14.514 2.165 1.00 0.00 C ATOM 405 NZ LYS A 34 1.674 13.391 2.572 1.00 0.00 N ATOM 0 H LYS A 34 4.961 18.378 1.556 1.00 0.00 H new ATOM 0 HA LYS A 34 5.247 17.229 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.056 16.898 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.997 16.212 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.104 14.919 -0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.027 15.533 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.869 13.846 0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.045 13.247 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.145 14.838 3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.935 15.363 1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.197 13.629 3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.962 13.221 1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.248 12.534 2.704 1.00 0.00 H new ATOM 419 N CYS A 35 4.106 20.009 -0.695 1.00 0.00 N ATOM 420 CA CYS A 35 3.359 21.135 -1.235 1.00 0.00 C ATOM 421 C CYS A 35 4.093 21.780 -2.395 1.00 0.00 C ATOM 422 O CYS A 35 5.165 22.331 -2.226 1.00 0.00 O ATOM 423 CB CYS A 35 3.098 22.179 -0.172 1.00 0.00 C ATOM 424 SG CYS A 35 2.061 23.526 -0.757 1.00 0.00 S ATOM 0 H CYS A 35 4.883 20.263 -0.084 1.00 0.00 H new ATOM 0 HA CYS A 35 2.407 20.741 -1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.621 21.706 0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.049 22.583 0.175 1.00 0.00 H new ATOM 429 N GLN A 36 3.493 21.743 -3.565 1.00 0.00 N ATOM 430 CA GLN A 36 4.115 22.298 -4.760 1.00 0.00 C ATOM 431 C GLN A 36 3.853 23.797 -4.883 1.00 0.00 C ATOM 432 O GLN A 36 4.304 24.436 -5.830 1.00 0.00 O ATOM 433 CB GLN A 36 3.586 21.598 -5.998 1.00 0.00 C ATOM 434 CG GLN A 36 2.132 21.900 -6.281 1.00 0.00 C ATOM 435 CD GLN A 36 1.668 21.302 -7.569 1.00 0.00 C ATOM 436 OE1 GLN A 36 1.180 20.175 -7.601 1.00 0.00 O ATOM 437 NE2 GLN A 36 1.807 22.040 -8.648 1.00 0.00 N ATOM 0 H GLN A 36 2.572 21.334 -3.720 1.00 0.00 H new ATOM 0 HA GLN A 36 5.190 22.140 -4.673 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.186 21.895 -6.859 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.710 20.522 -5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.519 21.519 -5.464 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.987 22.980 -6.311 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.217 22.971 -8.579 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.505 21.681 -9.554 1.00 0.00 H new ATOM 446 N SER A 37 3.139 24.348 -3.927 1.00 0.00 N ATOM 447 CA SER A 37 2.776 25.749 -3.970 1.00 0.00 C ATOM 448 C SER A 37 3.966 26.632 -3.617 1.00 0.00 C ATOM 449 O SER A 37 4.014 27.803 -3.990 1.00 0.00 O ATOM 450 CB SER A 37 1.621 26.016 -3.008 1.00 0.00 C ATOM 451 OG SER A 37 0.600 25.039 -3.159 1.00 0.00 O ATOM 0 H SER A 37 2.797 23.846 -3.107 1.00 0.00 H new ATOM 0 HA SER A 37 2.462 25.992 -4.985 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.988 26.009 -1.982 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.210 27.009 -3.193 1.00 0.00 H new ATOM 0 HG SER A 37 0.735 24.321 -2.506 1.00 0.00 H new ATOM 457 N CYS A 38 4.926 26.069 -2.906 1.00 0.00 N ATOM 458 CA CYS A 38 6.077 26.833 -2.482 1.00 0.00 C ATOM 459 C CYS A 38 7.367 26.373 -3.156 1.00 0.00 C ATOM 460 O CYS A 38 8.184 27.188 -3.582 1.00 0.00 O ATOM 461 CB CYS A 38 6.222 26.723 -0.974 1.00 0.00 C ATOM 462 SG CYS A 38 6.356 25.029 -0.364 1.00 0.00 S ATOM 0 H CYS A 38 4.929 25.092 -2.613 1.00 0.00 H new ATOM 0 HA CYS A 38 5.912 27.869 -2.778 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.106 27.280 -0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.363 27.200 -0.502 1.00 0.00 H new ATOM 467 N LYS A 39 7.529 25.076 -3.262 1.00 0.00 N ATOM 468 CA LYS A 39 8.768 24.487 -3.747 1.00 0.00 C ATOM 469 C LYS A 39 8.893 24.470 -5.274 1.00 0.00 C ATOM 470 O LYS A 39 9.934 24.086 -5.813 1.00 0.00 O ATOM 471 CB LYS A 39 8.880 23.099 -3.210 1.00 0.00 C ATOM 472 CG LYS A 39 7.805 22.193 -3.706 1.00 0.00 C ATOM 473 CD LYS A 39 7.706 21.004 -2.832 1.00 0.00 C ATOM 474 CE LYS A 39 6.923 19.884 -3.514 1.00 0.00 C ATOM 475 NZ LYS A 39 7.343 18.538 -3.047 1.00 0.00 N ATOM 0 H LYS A 39 6.811 24.394 -3.017 1.00 0.00 H new ATOM 0 HA LYS A 39 9.584 25.116 -3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.851 22.686 -3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.845 23.133 -2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.852 22.722 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.020 21.886 -4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.706 20.651 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.217 21.276 -1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.859 20.018 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.062 19.952 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.587 17.851 -3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.209 18.251 -3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.528 18.568 -2.024 1.00 0.00 H new ATOM 489 N TYR A 40 7.853 24.873 -5.964 1.00 0.00 N ATOM 490 CA TYR A 40 7.882 24.875 -7.423 1.00 0.00 C ATOM 491 C TYR A 40 8.363 26.204 -7.966 1.00 0.00 C ATOM 492 O TYR A 40 8.261 27.228 -7.301 1.00 0.00 O ATOM 493 CB TYR A 40 6.515 24.521 -8.012 1.00 0.00 C ATOM 494 CG TYR A 40 6.319 23.040 -8.258 1.00 0.00 C ATOM 495 CD1 TYR A 40 6.806 22.094 -7.367 1.00 0.00 C ATOM 496 CD2 TYR A 40 5.643 22.589 -9.387 1.00 0.00 C ATOM 497 CE1 TYR A 40 6.628 20.743 -7.590 1.00 0.00 C ATOM 498 CE2 TYR A 40 5.460 21.238 -9.616 1.00 0.00 C ATOM 499 CZ TYR A 40 5.954 20.320 -8.715 1.00 0.00 C ATOM 500 OH TYR A 40 5.776 18.976 -8.936 1.00 0.00 O ATOM 0 H TYR A 40 6.980 25.202 -5.552 1.00 0.00 H new ATOM 0 HA TYR A 40 8.592 24.106 -7.728 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.736 24.873 -7.335 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.386 25.056 -8.953 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.334 22.420 -6.483 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.255 23.306 -10.096 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.015 20.021 -6.886 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.932 20.904 -10.497 1.00 0.00 H new ATOM 0 HH TYR A 40 5.281 18.845 -9.771 1.00 0.00 H new ATOM 510 N GLY A 41 8.898 26.172 -9.172 1.00 0.00 N ATOM 511 CA GLY A 41 9.396 27.375 -9.791 1.00 0.00 C ATOM 512 C GLY A 41 10.902 27.377 -9.895 1.00 0.00 C ATOM 513 O GLY A 41 11.455 27.667 -10.954 1.00 0.00 O ATOM 0 H GLY A 41 8.996 25.328 -9.736 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.964 27.476 -10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.072 28.241 -9.214 1.00 0.00 H new ATOM 517 N ALA A 42 11.566 27.019 -8.806 1.00 0.00 N ATOM 518 CA ALA A 42 13.021 27.012 -8.771 1.00 0.00 C ATOM 519 C ALA A 42 13.576 25.703 -9.287 1.00 0.00 C ATOM 520 O ALA A 42 14.745 25.614 -9.631 1.00 0.00 O ATOM 521 CB ALA A 42 13.520 27.268 -7.362 1.00 0.00 C ATOM 0 H ALA A 42 11.121 26.730 -7.935 1.00 0.00 H new ATOM 0 HA ALA A 42 13.372 27.812 -9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.610 27.259 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.163 28.239 -7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.147 26.490 -6.697 1.00 0.00 H new ATOM 527 N GLY A 43 12.734 24.692 -9.332 1.00 0.00 N ATOM 528 CA GLY A 43 13.160 23.397 -9.785 1.00 0.00 C ATOM 529 C GLY A 43 12.305 22.822 -10.896 1.00 0.00 C ATOM 530 O GLY A 43 12.669 21.816 -11.496 1.00 0.00 O ATOM 0 H GLY A 43 11.753 24.748 -9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.191 23.466 -10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.153 22.707 -8.941 1.00 0.00 H new ATOM 534 N CYS A 44 11.215 23.485 -11.214 1.00 0.00 N ATOM 535 CA CYS A 44 10.251 22.941 -12.174 1.00 0.00 C ATOM 536 C CYS A 44 9.937 23.898 -13.299 1.00 0.00 C ATOM 537 O CYS A 44 10.526 24.976 -13.413 1.00 0.00 O ATOM 538 CB CYS A 44 8.946 22.559 -11.474 1.00 0.00 C ATOM 539 SG CYS A 44 9.006 21.009 -10.575 1.00 0.00 S ATOM 0 H CYS A 44 10.966 24.397 -10.830 1.00 0.00 H new ATOM 0 HA CYS A 44 10.723 22.058 -12.604 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.674 23.355 -10.781 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.153 22.501 -12.219 1.00 0.00 H new ATOM 544 N THR A 45 8.995 23.479 -14.125 1.00 0.00 N ATOM 545 CA THR A 45 8.532 24.245 -15.239 1.00 0.00 C ATOM 546 C THR A 45 7.031 23.988 -15.433 1.00 0.00 C ATOM 547 O THR A 45 6.431 23.184 -14.704 1.00 0.00 O ATOM 548 CB THR A 45 9.308 23.871 -16.527 1.00 0.00 C ATOM 549 OG1 THR A 45 8.898 24.702 -17.621 1.00 0.00 O ATOM 550 CG2 THR A 45 9.090 22.406 -16.888 1.00 0.00 C ATOM 0 H THR A 45 8.529 22.577 -14.027 1.00 0.00 H new ATOM 0 HA THR A 45 8.703 25.303 -15.040 1.00 0.00 H new ATOM 0 HB THR A 45 10.369 24.031 -16.335 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.668 24.887 -18.198 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.645 22.168 -17.796 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.441 21.774 -16.072 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.028 22.227 -17.055 1.00 0.00 H new ATOM 558 N ASP A 46 6.448 24.640 -16.412 1.00 0.00 N ATOM 559 CA ASP A 46 5.012 24.520 -16.703 1.00 0.00 C ATOM 560 C ASP A 46 4.702 23.181 -17.380 1.00 0.00 C ATOM 561 O ASP A 46 3.563 22.716 -17.393 1.00 0.00 O ATOM 562 CB ASP A 46 4.578 25.693 -17.591 1.00 0.00 C ATOM 563 CG ASP A 46 3.150 25.602 -18.087 1.00 0.00 C ATOM 564 OD1 ASP A 46 2.215 25.660 -17.254 1.00 0.00 O ATOM 565 OD2 ASP A 46 2.954 25.512 -19.316 1.00 0.00 O ATOM 0 H ASP A 46 6.945 25.273 -17.038 1.00 0.00 H new ATOM 0 HA ASP A 46 4.453 24.551 -15.768 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.698 26.621 -17.032 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.246 25.750 -18.450 1.00 0.00 H new ATOM 570 N THR A 47 5.724 22.564 -17.906 1.00 0.00 N ATOM 571 CA THR A 47 5.591 21.310 -18.608 1.00 0.00 C ATOM 572 C THR A 47 5.526 20.119 -17.630 1.00 0.00 C ATOM 573 O THR A 47 4.811 19.147 -17.867 1.00 0.00 O ATOM 574 CB THR A 47 6.788 21.128 -19.556 1.00 0.00 C ATOM 575 OG1 THR A 47 7.276 22.421 -19.949 1.00 0.00 O ATOM 576 CG2 THR A 47 6.383 20.354 -20.796 1.00 0.00 C ATOM 0 H THR A 47 6.680 22.916 -17.861 1.00 0.00 H new ATOM 0 HA THR A 47 4.660 21.334 -19.174 1.00 0.00 H new ATOM 0 HB THR A 47 7.565 20.569 -19.034 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.041 22.313 -20.552 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.247 20.238 -21.451 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.013 19.371 -20.506 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.598 20.896 -21.323 1.00 0.00 H new ATOM 584 N CYS A 48 6.253 20.214 -16.526 1.00 0.00 N ATOM 585 CA CYS A 48 6.321 19.117 -15.556 1.00 0.00 C ATOM 586 C CYS A 48 5.084 19.054 -14.668 1.00 0.00 C ATOM 587 O CYS A 48 4.688 17.980 -14.213 1.00 0.00 O ATOM 588 CB CYS A 48 7.569 19.245 -14.687 1.00 0.00 C ATOM 589 SG CYS A 48 7.637 18.058 -13.326 1.00 0.00 S ATOM 0 H CYS A 48 6.805 21.035 -16.275 1.00 0.00 H new ATOM 0 HA CYS A 48 6.368 18.191 -16.130 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.451 19.115 -15.314 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.614 20.255 -14.278 1.00 0.00 H new ATOM 594 N LYS A 49 4.457 20.200 -14.446 1.00 0.00 N ATOM 595 CA LYS A 49 3.294 20.286 -13.558 1.00 0.00 C ATOM 596 C LYS A 49 2.065 19.589 -14.148 1.00 0.00 C ATOM 597 O LYS A 49 1.004 19.546 -13.520 1.00 0.00 O ATOM 598 CB LYS A 49 2.968 21.740 -13.274 1.00 0.00 C ATOM 599 CG LYS A 49 2.485 22.498 -14.496 1.00 0.00 C ATOM 600 CD LYS A 49 2.308 23.966 -14.203 1.00 0.00 C ATOM 601 CE LYS A 49 1.270 24.201 -13.121 1.00 0.00 C ATOM 602 NZ LYS A 49 1.141 25.636 -12.779 1.00 0.00 N ATOM 0 H LYS A 49 4.731 21.088 -14.867 1.00 0.00 H new ATOM 0 HA LYS A 49 3.552 19.773 -12.631 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.203 21.789 -12.499 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.855 22.233 -12.877 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.200 22.372 -15.309 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.539 22.077 -14.836 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.261 24.392 -13.891 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.009 24.485 -15.113 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.305 23.820 -13.455 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.543 23.639 -12.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.422 25.753 -12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.055 25.995 -12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.855 26.170 -13.624 1.00 0.00 H new ATOM 616 N GLN A 50 2.212 19.063 -15.352 1.00 0.00 N ATOM 617 CA GLN A 50 1.138 18.376 -16.022 1.00 0.00 C ATOM 618 C GLN A 50 0.960 16.968 -15.453 1.00 0.00 C ATOM 619 O GLN A 50 1.632 16.589 -14.495 1.00 0.00 O ATOM 620 CB GLN A 50 1.412 18.328 -17.509 1.00 0.00 C ATOM 621 CG GLN A 50 1.647 19.702 -18.087 1.00 0.00 C ATOM 622 CD GLN A 50 1.476 19.751 -19.570 1.00 0.00 C ATOM 623 OE1 GLN A 50 0.720 18.976 -20.150 1.00 0.00 O ATOM 624 NE2 GLN A 50 2.152 20.662 -20.192 1.00 0.00 N ATOM 0 H GLN A 50 3.080 19.104 -15.886 1.00 0.00 H new ATOM 0 HA GLN A 50 0.209 18.921 -15.855 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.284 17.702 -17.696 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.569 17.860 -18.018 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.957 20.407 -17.624 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.655 20.029 -17.832 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.769 21.285 -19.670 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.068 20.757 -21.204 1.00 0.00 H new ATOM 633 N THR A 51 0.066 16.207 -16.037 1.00 0.00 N ATOM 634 CA THR A 51 -0.207 14.861 -15.579 1.00 0.00 C ATOM 635 C THR A 51 -0.342 13.901 -16.771 1.00 0.00 C ATOM 636 O THR A 51 -1.160 14.124 -17.665 1.00 0.00 O ATOM 637 CB THR A 51 -1.491 14.821 -14.723 1.00 0.00 C ATOM 638 OG1 THR A 51 -1.395 15.798 -13.669 1.00 0.00 O ATOM 639 CG2 THR A 51 -1.695 13.439 -14.113 1.00 0.00 C ATOM 0 H THR A 51 -0.492 16.499 -16.840 1.00 0.00 H new ATOM 0 HA THR A 51 0.632 14.541 -14.962 1.00 0.00 H new ATOM 0 HB THR A 51 -2.342 15.046 -15.366 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.210 15.774 -13.126 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.606 13.436 -13.515 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.781 12.699 -14.909 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.844 13.192 -13.479 1.00 0.00 H new ATOM 647 N PRO A 52 0.480 12.827 -16.807 1.00 0.00 N ATOM 648 CA PRO A 52 1.486 12.557 -15.769 1.00 0.00 C ATOM 649 C PRO A 52 2.591 13.601 -15.778 1.00 0.00 C ATOM 650 O PRO A 52 3.037 14.060 -14.728 1.00 0.00 O ATOM 651 CB PRO A 52 2.054 11.180 -16.155 1.00 0.00 C ATOM 652 CG PRO A 52 1.087 10.619 -17.146 1.00 0.00 C ATOM 653 CD PRO A 52 0.482 11.792 -17.849 1.00 0.00 C ATOM 0 HA PRO A 52 1.057 12.583 -14.767 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.051 11.272 -16.587 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.143 10.533 -15.283 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.592 9.960 -17.852 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.320 10.025 -16.648 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.070 12.092 -18.716 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.525 11.575 -18.206 1.00 0.00 H new ATOM 661 N CYS A 53 3.017 13.966 -16.969 1.00 0.00 N ATOM 662 CA CYS A 53 4.022 14.980 -17.150 1.00 0.00 C ATOM 663 C CYS A 53 4.090 15.373 -18.612 1.00 0.00 C ATOM 664 O CYS A 53 3.948 14.525 -19.491 1.00 0.00 O ATOM 665 CB CYS A 53 5.375 14.465 -16.694 1.00 0.00 C ATOM 666 SG CYS A 53 6.664 15.727 -16.646 1.00 0.00 S ATOM 0 H CYS A 53 2.671 13.563 -17.840 1.00 0.00 H new ATOM 0 HA CYS A 53 3.758 15.852 -16.552 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.270 14.030 -15.700 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.691 13.663 -17.362 1.00 0.00 H new ATOM 671 N GLY A 54 4.283 16.648 -18.876 1.00 0.00 N ATOM 672 CA GLY A 54 4.385 17.100 -20.240 1.00 0.00 C ATOM 673 C GLY A 54 5.808 17.054 -20.759 1.00 0.00 C ATOM 674 O GLY A 54 6.021 16.971 -21.966 1.00 0.00 O ATOM 0 H GLY A 54 4.371 17.380 -18.171 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.750 16.481 -20.874 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.008 18.120 -20.311 1.00 0.00 H new ATOM 678 N CYS A 55 6.788 17.103 -19.849 1.00 0.00 N ATOM 679 CA CYS A 55 8.195 17.094 -20.226 1.00 0.00 C ATOM 680 C CYS A 55 8.550 15.849 -21.043 1.00 0.00 C ATOM 681 O CYS A 55 8.791 15.932 -22.247 1.00 0.00 O ATOM 682 CB CYS A 55 9.086 17.160 -18.981 1.00 0.00 C ATOM 683 SG CYS A 55 8.991 18.696 -18.025 1.00 0.00 S ATOM 0 H CYS A 55 6.625 17.149 -18.843 1.00 0.00 H new ATOM 0 HA CYS A 55 8.371 17.974 -20.845 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.824 16.329 -18.326 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.121 17.009 -19.289 1.00 0.00 H new ATOM 688 N GLY A 56 8.562 14.697 -20.381 1.00 0.00 N ATOM 689 CA GLY A 56 8.951 13.466 -21.040 1.00 0.00 C ATOM 690 C GLY A 56 10.406 13.510 -21.438 1.00 0.00 C ATOM 691 O GLY A 56 11.290 13.536 -20.578 1.00 0.00 O ATOM 0 H GLY A 56 8.309 14.595 -19.398 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.776 12.621 -20.374 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.332 13.309 -21.923 1.00 0.00 H new ATOM 695 N SER A 57 10.662 13.536 -22.728 1.00 0.00 N ATOM 696 CA SER A 57 12.018 13.666 -23.218 1.00 0.00 C ATOM 697 C SER A 57 12.318 15.128 -23.507 1.00 0.00 C ATOM 698 O SER A 57 13.471 15.526 -23.650 1.00 0.00 O ATOM 699 CB SER A 57 12.222 12.817 -24.471 1.00 0.00 C ATOM 700 OG SER A 57 11.949 11.448 -24.212 1.00 0.00 O ATOM 0 H SER A 57 9.951 13.469 -23.456 1.00 0.00 H new ATOM 0 HA SER A 57 12.707 13.307 -22.454 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.570 13.176 -25.267 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.247 12.926 -24.825 1.00 0.00 H new ATOM 0 HG SER A 57 12.085 10.927 -25.031 1.00 0.00 H new ATOM 706 N GLY A 58 11.264 15.926 -23.540 1.00 0.00 N ATOM 707 CA GLY A 58 11.388 17.339 -23.813 1.00 0.00 C ATOM 708 C GLY A 58 11.182 18.131 -22.556 1.00 0.00 C ATOM 709 O GLY A 58 10.162 18.790 -22.379 1.00 0.00 O ATOM 0 H GLY A 58 10.307 15.611 -23.379 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.373 17.551 -24.228 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.656 17.637 -24.563 1.00 0.00 H new ATOM 713 N CYS A 59 12.140 18.049 -21.681 1.00 0.00 N ATOM 714 CA CYS A 59 12.063 18.680 -20.391 1.00 0.00 C ATOM 715 C CYS A 59 12.511 20.143 -20.441 1.00 0.00 C ATOM 716 O CYS A 59 13.406 20.510 -21.206 1.00 0.00 O ATOM 717 CB CYS A 59 12.885 17.871 -19.397 1.00 0.00 C ATOM 718 SG CYS A 59 13.258 18.713 -17.862 1.00 0.00 S ATOM 0 H CYS A 59 13.008 17.537 -21.842 1.00 0.00 H new ATOM 0 HA CYS A 59 11.023 18.697 -20.066 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.348 16.951 -19.168 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.822 17.583 -19.873 1.00 0.00 H new ATOM 723 N ASN A 60 11.869 20.970 -19.620 1.00 0.00 N ATOM 724 CA ASN A 60 12.149 22.405 -19.572 1.00 0.00 C ATOM 725 C ASN A 60 12.311 22.865 -18.108 1.00 0.00 C ATOM 726 O ASN A 60 12.220 24.049 -17.791 1.00 0.00 O ATOM 727 CB ASN A 60 10.997 23.169 -20.282 1.00 0.00 C ATOM 728 CG ASN A 60 11.211 24.678 -20.381 1.00 0.00 C ATOM 729 OD1 ASN A 60 10.732 25.445 -19.539 1.00 0.00 O ATOM 730 ND2 ASN A 60 11.923 25.110 -21.403 1.00 0.00 N ATOM 0 H ASN A 60 11.143 20.667 -18.971 1.00 0.00 H new ATOM 0 HA ASN A 60 13.083 22.621 -20.090 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.874 22.765 -21.287 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.067 22.980 -19.746 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.095 26.109 -21.519 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.302 24.446 -22.078 1.00 0.00 H new ATOM 737 N CYS A 61 12.575 21.913 -17.222 1.00 0.00 N ATOM 738 CA CYS A 61 12.724 22.209 -15.795 1.00 0.00 C ATOM 739 C CYS A 61 14.000 22.981 -15.476 1.00 0.00 C ATOM 740 O CYS A 61 14.750 23.391 -16.367 1.00 0.00 O ATOM 741 CB CYS A 61 12.666 20.933 -14.968 1.00 0.00 C ATOM 742 SG CYS A 61 11.001 20.422 -14.555 1.00 0.00 S ATOM 0 H CYS A 61 12.691 20.928 -17.462 1.00 0.00 H new ATOM 0 HA CYS A 61 11.885 22.852 -15.528 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.157 20.131 -15.518 1.00 0.00 H new ATOM 0 HB3 CYS A 61 13.231 21.081 -14.047 1.00 0.00 H new ATOM 747 N LYS A 62 14.242 23.153 -14.190 1.00 0.00 N ATOM 748 CA LYS A 62 15.368 23.916 -13.706 1.00 0.00 C ATOM 749 C LYS A 62 16.486 22.970 -13.297 1.00 0.00 C ATOM 750 O LYS A 62 17.431 22.752 -14.050 1.00 0.00 O ATOM 751 CB LYS A 62 14.915 24.755 -12.512 1.00 0.00 C ATOM 752 CG LYS A 62 13.847 25.789 -12.839 1.00 0.00 C ATOM 753 CD LYS A 62 14.444 27.079 -13.376 1.00 0.00 C ATOM 754 CE LYS A 62 15.171 27.856 -12.290 1.00 0.00 C ATOM 755 NZ LYS A 62 15.608 29.187 -12.767 1.00 0.00 N ATOM 0 H LYS A 62 13.657 22.763 -13.451 1.00 0.00 H new ATOM 0 HA LYS A 62 15.742 24.575 -14.490 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.533 24.088 -11.739 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.782 25.266 -12.093 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.157 25.376 -13.575 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.266 26.005 -11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.137 26.850 -14.186 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.653 27.698 -13.799 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.515 27.976 -11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.038 27.287 -11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.100 29.687 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.254 29.072 -13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.778 29.739 -13.064 1.00 0.00 H new ATOM 769 N GLU A 63 16.347 22.392 -12.113 1.00 0.00 N ATOM 770 CA GLU A 63 17.302 21.423 -11.600 1.00 0.00 C ATOM 771 C GLU A 63 16.766 20.802 -10.315 1.00 0.00 C ATOM 772 O GLU A 63 16.947 19.609 -10.070 1.00 0.00 O ATOM 773 CB GLU A 63 18.680 22.057 -11.360 1.00 0.00 C ATOM 774 CG GLU A 63 19.779 21.039 -11.104 1.00 0.00 C ATOM 775 CD GLU A 63 21.139 21.675 -10.939 1.00 0.00 C ATOM 776 OE1 GLU A 63 21.825 21.905 -11.961 1.00 0.00 O ATOM 777 OE2 GLU A 63 21.539 21.934 -9.787 1.00 0.00 O ATOM 0 H GLU A 63 15.569 22.582 -11.482 1.00 0.00 H new ATOM 0 HA GLU A 63 17.431 20.643 -12.350 1.00 0.00 H new ATOM 0 HB2 GLU A 63 18.949 22.661 -12.227 1.00 0.00 H new ATOM 0 HB3 GLU A 63 18.617 22.734 -10.508 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.538 20.469 -10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 63 19.812 20.331 -11.932 1.00 0.00 H new ATOM 784 N ASP A 64 16.076 21.610 -9.505 1.00 0.00 N ATOM 785 CA ASP A 64 15.484 21.121 -8.261 1.00 0.00 C ATOM 786 C ASP A 64 14.184 20.371 -8.559 1.00 0.00 C ATOM 787 O ASP A 64 13.108 20.744 -8.105 1.00 0.00 O ATOM 788 CB ASP A 64 15.226 22.282 -7.279 1.00 0.00 C ATOM 789 CG ASP A 64 14.845 21.802 -5.885 1.00 0.00 C ATOM 790 OD1 ASP A 64 13.652 21.895 -5.522 1.00 0.00 O ATOM 791 OD2 ASP A 64 15.734 21.335 -5.148 1.00 0.00 O ATOM 0 H ASP A 64 15.915 22.600 -9.689 1.00 0.00 H new ATOM 0 HA ASP A 64 16.188 20.434 -7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.120 22.902 -7.213 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.429 22.913 -7.671 1.00 0.00 H new ATOM 796 N CYS A 65 14.292 19.352 -9.374 1.00 0.00 N ATOM 797 CA CYS A 65 13.164 18.517 -9.708 1.00 0.00 C ATOM 798 C CYS A 65 13.445 17.090 -9.285 1.00 0.00 C ATOM 799 O CYS A 65 14.555 16.592 -9.474 1.00 0.00 O ATOM 800 CB CYS A 65 12.875 18.577 -11.210 1.00 0.00 C ATOM 801 SG CYS A 65 11.505 17.523 -11.747 1.00 0.00 S ATOM 0 H CYS A 65 15.164 19.077 -9.825 1.00 0.00 H new ATOM 0 HA CYS A 65 12.285 18.883 -9.177 1.00 0.00 H new ATOM 0 HB2 CYS A 65 12.654 19.608 -11.485 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.775 18.288 -11.753 1.00 0.00 H new ATOM 806 N ARG A 66 12.451 16.438 -8.709 1.00 0.00 N ATOM 807 CA ARG A 66 12.607 15.063 -8.255 1.00 0.00 C ATOM 808 C ARG A 66 11.586 14.153 -8.914 1.00 0.00 C ATOM 809 O ARG A 66 11.213 13.112 -8.375 1.00 0.00 O ATOM 810 CB ARG A 66 12.537 14.953 -6.713 1.00 0.00 C ATOM 811 CG ARG A 66 11.272 15.474 -6.063 1.00 0.00 C ATOM 812 CD ARG A 66 11.300 16.986 -5.882 1.00 0.00 C ATOM 813 NE ARG A 66 12.306 17.412 -4.900 1.00 0.00 N ATOM 814 CZ ARG A 66 12.829 18.641 -4.846 1.00 0.00 C ATOM 815 NH1 ARG A 66 12.445 19.561 -5.712 1.00 0.00 N ATOM 816 NH2 ARG A 66 13.722 18.951 -3.916 1.00 0.00 N ATOM 0 H ARG A 66 11.527 16.836 -8.543 1.00 0.00 H new ATOM 0 HA ARG A 66 13.601 14.733 -8.557 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.657 13.905 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.386 15.492 -6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.412 15.199 -6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.141 14.996 -5.092 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.508 17.461 -6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.316 17.330 -5.563 1.00 0.00 H new ATOM 0 HE ARG A 66 12.626 16.726 -4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.749 19.334 -6.422 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.844 20.499 -5.671 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.014 18.250 -3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.117 19.891 -3.881 1.00 0.00 H new ATOM 830 N CYS A 67 11.153 14.548 -10.090 1.00 0.00 N ATOM 831 CA CYS A 67 10.198 13.775 -10.849 1.00 0.00 C ATOM 832 C CYS A 67 10.897 12.655 -11.609 1.00 0.00 C ATOM 833 O CYS A 67 11.980 12.848 -12.146 1.00 0.00 O ATOM 834 CB CYS A 67 9.464 14.670 -11.831 1.00 0.00 C ATOM 835 SG CYS A 67 8.239 13.804 -12.821 1.00 0.00 S ATOM 0 H CYS A 67 11.452 15.411 -10.545 1.00 0.00 H new ATOM 0 HA CYS A 67 9.483 13.337 -10.152 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.972 15.472 -11.281 1.00 0.00 H new ATOM 0 HB3 CYS A 67 10.190 15.138 -12.495 1.00 0.00 H new ATOM 840 N GLN A 68 10.262 11.491 -11.669 1.00 0.00 N ATOM 841 CA GLN A 68 10.829 10.344 -12.374 1.00 0.00 C ATOM 842 C GLN A 68 10.250 10.218 -13.781 1.00 0.00 C ATOM 843 O GLN A 68 10.516 9.249 -14.484 1.00 0.00 O ATOM 844 CB GLN A 68 10.592 9.040 -11.593 1.00 0.00 C ATOM 845 CG GLN A 68 9.143 8.804 -11.189 1.00 0.00 C ATOM 846 CD GLN A 68 8.878 9.104 -9.721 1.00 0.00 C ATOM 847 OE1 GLN A 68 9.679 9.989 -9.133 1.00 0.00 O flip ATOM 848 NE2 GLN A 68 7.972 8.533 -9.120 1.00 0.00 N flip ATOM 0 H GLN A 68 9.354 11.315 -11.239 1.00 0.00 H new ATOM 0 HA GLN A 68 11.903 10.513 -12.454 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.928 8.200 -12.201 1.00 0.00 H new ATOM 0 HB3 GLN A 68 11.210 9.051 -10.695 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.494 9.427 -11.804 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.878 7.767 -11.396 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.380 7.861 -9.608 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.811 8.731 -8.132 1.00 0.00 H new ATOM 857 N SER A 69 9.466 11.200 -14.193 1.00 0.00 N ATOM 858 CA SER A 69 8.848 11.164 -15.499 1.00 0.00 C ATOM 859 C SER A 69 9.665 11.938 -16.531 1.00 0.00 C ATOM 860 O SER A 69 9.603 11.646 -17.723 1.00 0.00 O ATOM 861 CB SER A 69 7.430 11.715 -15.426 1.00 0.00 C ATOM 862 OG SER A 69 6.635 10.960 -14.525 1.00 0.00 O ATOM 0 H SER A 69 9.245 12.028 -13.640 1.00 0.00 H new ATOM 0 HA SER A 69 8.811 10.123 -15.820 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.457 12.757 -15.107 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.978 11.697 -16.418 1.00 0.00 H new ATOM 0 HG SER A 69 5.730 11.335 -14.495 1.00 0.00 H new ATOM 868 N CYS A 70 10.430 12.920 -16.083 1.00 0.00 N ATOM 869 CA CYS A 70 11.223 13.712 -17.007 1.00 0.00 C ATOM 870 C CYS A 70 12.699 13.688 -16.651 1.00 0.00 C ATOM 871 O CYS A 70 13.537 14.167 -17.424 1.00 0.00 O ATOM 872 CB CYS A 70 10.719 15.141 -17.051 1.00 0.00 C ATOM 873 SG CYS A 70 10.983 16.076 -15.531 1.00 0.00 S ATOM 0 H CYS A 70 10.518 13.185 -15.102 1.00 0.00 H new ATOM 0 HA CYS A 70 11.113 13.264 -17.995 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.212 15.661 -17.873 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.652 15.130 -17.275 1.00 0.00 H new ATOM 878 N SER A 71 13.013 13.133 -15.486 1.00 0.00 N ATOM 879 CA SER A 71 14.391 13.042 -15.014 1.00 0.00 C ATOM 880 C SER A 71 15.304 12.396 -16.054 1.00 0.00 C ATOM 881 O SER A 71 14.879 11.519 -16.816 1.00 0.00 O ATOM 882 CB SER A 71 14.445 12.242 -13.710 1.00 0.00 C ATOM 883 OG SER A 71 13.735 11.013 -13.832 1.00 0.00 O ATOM 0 H SER A 71 12.326 12.736 -14.846 1.00 0.00 H new ATOM 0 HA SER A 71 14.748 14.057 -14.839 1.00 0.00 H new ATOM 0 HB2 SER A 71 15.483 12.041 -13.446 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.019 12.833 -12.899 1.00 0.00 H new ATOM 0 HG SER A 71 14.037 10.390 -13.138 1.00 0.00 H new ATOM 889 N THR A 72 16.545 12.847 -16.097 1.00 0.00 N ATOM 890 CA THR A 72 17.523 12.276 -16.992 1.00 0.00 C ATOM 891 C THR A 72 17.926 10.893 -16.475 1.00 0.00 C ATOM 892 O THR A 72 17.527 10.498 -15.370 1.00 0.00 O ATOM 893 CB THR A 72 18.775 13.188 -17.116 1.00 0.00 C ATOM 894 OG1 THR A 72 19.649 12.705 -18.142 1.00 0.00 O ATOM 895 CG2 THR A 72 19.533 13.252 -15.799 1.00 0.00 C ATOM 0 H THR A 72 16.896 13.610 -15.518 1.00 0.00 H new ATOM 0 HA THR A 72 17.081 12.187 -17.984 1.00 0.00 H new ATOM 0 HB THR A 72 18.431 14.189 -17.376 1.00 0.00 H new ATOM 0 HG1 THR A 72 20.431 13.291 -18.208 1.00 0.00 H new ATOM 0 HG21 THR A 72 20.405 13.896 -15.912 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.882 13.655 -15.024 1.00 0.00 H new ATOM 0 HG23 THR A 72 19.856 12.250 -15.516 1.00 0.00 H new ATOM 903 N ALA A 73 18.704 10.170 -17.257 1.00 0.00 N ATOM 904 CA ALA A 73 19.125 8.838 -16.884 1.00 0.00 C ATOM 905 C ALA A 73 19.894 8.841 -15.569 1.00 0.00 C ATOM 906 O ALA A 73 20.994 9.387 -15.471 1.00 0.00 O ATOM 907 CB ALA A 73 19.951 8.206 -17.984 1.00 0.00 C ATOM 0 H ALA A 73 19.058 10.487 -18.160 1.00 0.00 H new ATOM 0 HA ALA A 73 18.226 8.239 -16.740 1.00 0.00 H new ATOM 0 HB1 ALA A 73 20.256 7.205 -17.680 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.356 8.143 -18.895 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.836 8.814 -18.170 1.00 0.00 H new ATOM 913 N CYS A 74 19.281 8.259 -14.562 1.00 0.00 N ATOM 914 CA CYS A 74 19.878 8.128 -13.251 1.00 0.00 C ATOM 915 C CYS A 74 21.098 7.207 -13.337 1.00 0.00 C ATOM 916 O CYS A 74 21.141 6.300 -14.176 1.00 0.00 O ATOM 917 CB CYS A 74 18.832 7.546 -12.290 1.00 0.00 C ATOM 918 SG CYS A 74 19.379 7.308 -10.595 1.00 0.00 S ATOM 0 H CYS A 74 18.345 7.859 -14.631 1.00 0.00 H new ATOM 0 HA CYS A 74 20.203 9.101 -12.883 1.00 0.00 H new ATOM 0 HB2 CYS A 74 17.965 8.206 -12.283 1.00 0.00 H new ATOM 0 HB3 CYS A 74 18.499 6.586 -12.683 1.00 0.00 H new ATOM 923 N LYS A 75 22.089 7.446 -12.493 1.00 0.00 N ATOM 924 CA LYS A 75 23.304 6.624 -12.496 1.00 0.00 C ATOM 925 C LYS A 75 23.056 5.289 -11.821 1.00 0.00 C ATOM 926 O LYS A 75 23.832 4.342 -11.979 1.00 0.00 O ATOM 927 CB LYS A 75 24.475 7.351 -11.821 1.00 0.00 C ATOM 928 CG LYS A 75 25.165 8.374 -12.712 1.00 0.00 C ATOM 929 CD LYS A 75 25.956 7.704 -13.839 1.00 0.00 C ATOM 930 CE LYS A 75 26.427 8.738 -14.852 1.00 0.00 C ATOM 931 NZ LYS A 75 27.155 8.125 -15.991 1.00 0.00 N ATOM 0 H LYS A 75 22.084 8.194 -11.800 1.00 0.00 H new ATOM 0 HA LYS A 75 23.573 6.444 -13.537 1.00 0.00 H new ATOM 0 HB2 LYS A 75 24.110 7.853 -10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 75 25.209 6.613 -11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 75 24.420 9.045 -13.140 1.00 0.00 H new ATOM 0 HG3 LYS A 75 25.837 8.986 -12.110 1.00 0.00 H new ATOM 0 HD2 LYS A 75 26.815 7.176 -13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 75 25.333 6.959 -14.334 1.00 0.00 H new ATOM 0 HE2 LYS A 75 25.567 9.291 -15.230 1.00 0.00 H new ATOM 0 HE3 LYS A 75 27.076 9.459 -14.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 27.455 8.869 -16.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 27.992 7.619 -15.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 26.529 7.456 -16.483 1.00 0.00 H new ATOM 945 N CYS A 76 21.975 5.214 -11.086 1.00 0.00 N ATOM 946 CA CYS A 76 21.620 4.013 -10.390 1.00 0.00 C ATOM 947 C CYS A 76 20.685 3.172 -11.241 1.00 0.00 C ATOM 948 O CYS A 76 19.723 3.685 -11.805 1.00 0.00 O ATOM 949 CB CYS A 76 20.964 4.367 -9.065 1.00 0.00 C ATOM 950 SG CYS A 76 21.987 5.424 -8.016 1.00 0.00 S ATOM 0 H CYS A 76 21.320 5.985 -10.956 1.00 0.00 H new ATOM 0 HA CYS A 76 22.520 3.431 -10.193 1.00 0.00 H new ATOM 0 HB2 CYS A 76 20.017 4.870 -9.260 1.00 0.00 H new ATOM 0 HB3 CYS A 76 20.732 3.448 -8.526 1.00 0.00 H new ATOM 955 N ALA A 77 20.978 1.880 -11.333 1.00 0.00 N ATOM 956 CA ALA A 77 20.182 0.953 -12.126 1.00 0.00 C ATOM 957 C ALA A 77 20.636 -0.467 -11.864 1.00 0.00 C ATOM 958 O ALA A 77 21.784 -0.684 -11.494 1.00 0.00 O ATOM 959 CB ALA A 77 20.307 1.275 -13.610 1.00 0.00 C ATOM 0 H ALA A 77 21.772 1.447 -10.861 1.00 0.00 H new ATOM 0 HA ALA A 77 19.136 1.055 -11.837 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.706 0.572 -14.187 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.954 2.290 -13.793 1.00 0.00 H new ATOM 0 HB3 ALA A 77 21.351 1.194 -13.913 1.00 0.00 H new ATOM 965 N ALA A 78 19.717 -1.422 -12.006 1.00 0.00 N ATOM 966 CA ALA A 78 20.016 -2.857 -11.844 1.00 0.00 C ATOM 967 C ALA A 78 20.563 -3.196 -10.451 1.00 0.00 C ATOM 968 O ALA A 78 21.161 -4.255 -10.249 1.00 0.00 O ATOM 969 CB ALA A 78 20.990 -3.318 -12.924 1.00 0.00 C ATOM 0 H ALA A 78 18.742 -1.229 -12.237 1.00 0.00 H new ATOM 0 HA ALA A 78 19.073 -3.393 -11.951 1.00 0.00 H new ATOM 0 HB1 ALA A 78 21.203 -4.379 -12.793 1.00 0.00 H new ATOM 0 HB2 ALA A 78 20.547 -3.155 -13.907 1.00 0.00 H new ATOM 0 HB3 ALA A 78 21.917 -2.750 -12.845 1.00 0.00 H new ATOM 975 N GLY A 79 20.336 -2.316 -9.494 1.00 0.00 N ATOM 976 CA GLY A 79 20.828 -2.549 -8.148 1.00 0.00 C ATOM 977 C GLY A 79 22.099 -1.776 -7.855 1.00 0.00 C ATOM 978 O GLY A 79 22.802 -2.065 -6.894 1.00 0.00 O ATOM 0 H GLY A 79 19.821 -1.444 -9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 79 20.060 -2.265 -7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 79 21.014 -3.614 -8.012 1.00 0.00 H new ATOM 982 N SER A 80 22.392 -0.792 -8.685 1.00 0.00 N ATOM 983 CA SER A 80 23.587 0.017 -8.512 1.00 0.00 C ATOM 984 C SER A 80 23.288 1.290 -7.704 1.00 0.00 C ATOM 985 O SER A 80 24.006 2.284 -7.815 1.00 0.00 O ATOM 986 CB SER A 80 24.174 0.381 -9.884 1.00 0.00 C ATOM 987 OG SER A 80 25.429 1.025 -9.757 1.00 0.00 O ATOM 0 H SER A 80 21.818 -0.532 -9.488 1.00 0.00 H new ATOM 0 HA SER A 80 24.317 -0.568 -7.952 1.00 0.00 H new ATOM 0 HB2 SER A 80 24.286 -0.522 -10.484 1.00 0.00 H new ATOM 0 HB3 SER A 80 23.481 1.033 -10.416 1.00 0.00 H new ATOM 0 HG SER A 80 25.383 1.692 -9.040 1.00 0.00 H new ATOM 993 N CYS A 81 22.237 1.255 -6.886 1.00 0.00 N ATOM 994 CA CYS A 81 21.891 2.397 -6.057 1.00 0.00 C ATOM 995 C CYS A 81 22.984 2.646 -5.024 1.00 0.00 C ATOM 996 O CYS A 81 23.675 1.713 -4.604 1.00 0.00 O ATOM 997 CB CYS A 81 20.567 2.167 -5.357 1.00 0.00 C ATOM 998 SG CYS A 81 20.070 3.518 -4.290 1.00 0.00 S ATOM 0 H CYS A 81 21.617 0.452 -6.783 1.00 0.00 H new ATOM 0 HA CYS A 81 21.799 3.272 -6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 81 19.793 2.005 -6.107 1.00 0.00 H new ATOM 0 HB3 CYS A 81 20.633 1.254 -4.765 1.00 0.00 H new ATOM 1003 N LYS A 82 23.144 3.895 -4.616 1.00 0.00 N ATOM 1004 CA LYS A 82 24.199 4.241 -3.676 1.00 0.00 C ATOM 1005 C LYS A 82 23.902 5.529 -2.908 1.00 0.00 C ATOM 1006 O LYS A 82 24.743 6.014 -2.152 1.00 0.00 O ATOM 1007 CB LYS A 82 25.500 4.379 -4.435 1.00 0.00 C ATOM 1008 CG LYS A 82 25.401 5.320 -5.612 1.00 0.00 C ATOM 1009 CD LYS A 82 26.504 5.060 -6.589 1.00 0.00 C ATOM 1010 CE LYS A 82 26.467 6.045 -7.746 1.00 0.00 C ATOM 1011 NZ LYS A 82 27.620 5.867 -8.658 1.00 0.00 N ATOM 0 H LYS A 82 22.564 4.678 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 82 24.267 3.443 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 82 26.274 4.736 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 82 25.814 3.397 -4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 82 24.436 5.196 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 82 25.451 6.352 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 82 27.466 5.130 -6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 82 26.420 4.043 -6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 82 25.539 5.916 -8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 82 26.466 7.063 -7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 27.559 6.557 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 28.505 6.015 -8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 27.607 4.904 -9.050 1.00 0.00 H new ATOM 1025 N CYS A 83 22.716 6.079 -3.090 1.00 0.00 N ATOM 1026 CA CYS A 83 22.359 7.320 -2.420 1.00 0.00 C ATOM 1027 C CYS A 83 21.583 7.055 -1.134 1.00 0.00 C ATOM 1028 O CYS A 83 21.461 7.936 -0.279 1.00 0.00 O ATOM 1029 CB CYS A 83 21.560 8.217 -3.359 1.00 0.00 C ATOM 1030 SG CYS A 83 20.195 7.380 -4.176 1.00 0.00 S ATOM 0 H CYS A 83 21.988 5.692 -3.690 1.00 0.00 H new ATOM 0 HA CYS A 83 23.281 7.833 -2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 83 21.169 9.063 -2.793 1.00 0.00 H new ATOM 0 HB3 CYS A 83 22.231 8.623 -4.116 1.00 0.00 H new ATOM 1035 N GLY A 84 21.067 5.843 -0.996 1.00 0.00 N ATOM 1036 CA GLY A 84 20.325 5.496 0.199 1.00 0.00 C ATOM 1037 C GLY A 84 18.833 5.487 -0.025 1.00 0.00 C ATOM 1038 O GLY A 84 18.063 5.168 0.880 1.00 0.00 O ATOM 0 H GLY A 84 21.148 5.096 -1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.642 4.513 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.565 6.206 0.990 1.00 0.00 H new ATOM 1042 N LYS A 85 18.418 5.839 -1.228 1.00 0.00 N ATOM 1043 CA LYS A 85 16.999 5.866 -1.562 1.00 0.00 C ATOM 1044 C LYS A 85 16.527 4.488 -1.945 1.00 0.00 C ATOM 1045 O LYS A 85 15.455 4.043 -1.532 1.00 0.00 O ATOM 1046 CB LYS A 85 16.742 6.816 -2.725 1.00 0.00 C ATOM 1047 CG LYS A 85 17.274 8.208 -2.507 1.00 0.00 C ATOM 1048 CD LYS A 85 16.654 8.854 -1.291 1.00 0.00 C ATOM 1049 CE LYS A 85 17.163 10.261 -1.133 1.00 0.00 C ATOM 1050 NZ LYS A 85 16.500 10.973 -0.014 1.00 0.00 N ATOM 0 H LYS A 85 19.039 6.110 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 85 16.452 6.211 -0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 85 17.195 6.402 -3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.668 6.872 -2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.357 8.170 -2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.071 8.818 -3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.568 8.861 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 85 16.891 8.272 -0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.239 10.239 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.999 10.811 -2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.881 11.938 0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.476 11.018 -0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.677 10.464 0.875 1.00 0.00 H new ATOM 1064 N GLY A 86 17.333 3.823 -2.735 1.00 0.00 N ATOM 1065 CA GLY A 86 16.977 2.511 -3.221 1.00 0.00 C ATOM 1066 C GLY A 86 16.104 2.618 -4.445 1.00 0.00 C ATOM 1067 O GLY A 86 15.054 1.993 -4.530 1.00 0.00 O ATOM 0 H GLY A 86 18.238 4.167 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 86 17.880 1.948 -3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.453 1.958 -2.441 1.00 0.00 H new ATOM 1071 N CYS A 87 16.545 3.420 -5.393 1.00 0.00 N ATOM 1072 CA CYS A 87 15.785 3.668 -6.603 1.00 0.00 C ATOM 1073 C CYS A 87 16.169 2.681 -7.693 1.00 0.00 C ATOM 1074 O CYS A 87 15.310 2.052 -8.306 1.00 0.00 O ATOM 1075 CB CYS A 87 16.027 5.100 -7.063 1.00 0.00 C ATOM 1076 SG CYS A 87 17.760 5.603 -6.978 1.00 0.00 S ATOM 0 H CYS A 87 17.435 3.916 -5.348 1.00 0.00 H new ATOM 0 HA CYS A 87 14.724 3.532 -6.393 1.00 0.00 H new ATOM 0 HB2 CYS A 87 15.676 5.207 -8.089 1.00 0.00 H new ATOM 0 HB3 CYS A 87 15.431 5.776 -6.450 1.00 0.00 H new ATOM 1081 N THR A 88 17.475 2.553 -7.920 1.00 0.00 N ATOM 1082 CA THR A 88 18.042 1.631 -8.913 1.00 0.00 C ATOM 1083 C THR A 88 17.448 1.836 -10.304 1.00 0.00 C ATOM 1084 O THR A 88 17.290 0.885 -11.067 1.00 0.00 O ATOM 1085 CB THR A 88 17.894 0.141 -8.494 1.00 0.00 C ATOM 1086 OG1 THR A 88 16.515 -0.240 -8.390 1.00 0.00 O ATOM 1087 CG2 THR A 88 18.577 -0.109 -7.171 1.00 0.00 C ATOM 0 H THR A 88 18.180 3.091 -7.416 1.00 0.00 H new ATOM 0 HA THR A 88 19.105 1.871 -8.955 1.00 0.00 H new ATOM 0 HB THR A 88 18.367 -0.461 -9.270 1.00 0.00 H new ATOM 0 HG1 THR A 88 15.949 0.480 -8.740 1.00 0.00 H new ATOM 0 HG21 THR A 88 18.462 -1.157 -6.895 1.00 0.00 H new ATOM 0 HG22 THR A 88 19.637 0.130 -7.258 1.00 0.00 H new ATOM 0 HG23 THR A 88 18.125 0.520 -6.404 1.00 0.00 H new ATOM 1095 N GLY A 89 17.160 3.071 -10.638 1.00 0.00 N ATOM 1096 CA GLY A 89 16.610 3.361 -11.938 1.00 0.00 C ATOM 1097 C GLY A 89 15.872 4.670 -11.959 1.00 0.00 C ATOM 1098 O GLY A 89 15.149 4.976 -11.023 1.00 0.00 O ATOM 0 H GLY A 89 17.296 3.882 -10.035 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.414 3.386 -12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.933 2.559 -12.232 1.00 0.00 H new ATOM 1102 N PRO A 90 16.035 5.464 -13.029 1.00 0.00 N ATOM 1103 CA PRO A 90 15.390 6.775 -13.157 1.00 0.00 C ATOM 1104 C PRO A 90 13.861 6.702 -13.086 1.00 0.00 C ATOM 1105 O PRO A 90 13.212 7.653 -12.666 1.00 0.00 O ATOM 1106 CB PRO A 90 15.842 7.294 -14.529 1.00 0.00 C ATOM 1107 CG PRO A 90 16.463 6.131 -15.232 1.00 0.00 C ATOM 1108 CD PRO A 90 16.879 5.143 -14.183 1.00 0.00 C ATOM 0 HA PRO A 90 15.676 7.429 -12.333 1.00 0.00 H new ATOM 0 HB2 PRO A 90 14.996 7.684 -15.095 1.00 0.00 H new ATOM 0 HB3 PRO A 90 16.557 8.110 -14.420 1.00 0.00 H new ATOM 0 HG2 PRO A 90 15.754 5.679 -15.926 1.00 0.00 H new ATOM 0 HG3 PRO A 90 17.323 6.452 -15.819 1.00 0.00 H new ATOM 0 HD2 PRO A 90 16.722 4.118 -14.518 1.00 0.00 H new ATOM 0 HD3 PRO A 90 17.937 5.241 -13.941 1.00 0.00 H new ATOM 1116 N ASP A 91 13.297 5.569 -13.487 1.00 0.00 N ATOM 1117 CA ASP A 91 11.838 5.382 -13.436 1.00 0.00 C ATOM 1118 C ASP A 91 11.375 5.129 -12.007 1.00 0.00 C ATOM 1119 O ASP A 91 10.212 5.349 -11.668 1.00 0.00 O ATOM 1120 CB ASP A 91 11.395 4.222 -14.332 1.00 0.00 C ATOM 1121 CG ASP A 91 11.502 4.530 -15.808 1.00 0.00 C ATOM 1122 OD1 ASP A 91 10.451 4.739 -16.451 1.00 0.00 O ATOM 1123 OD2 ASP A 91 12.634 4.550 -16.337 1.00 0.00 O ATOM 0 H ASP A 91 13.815 4.768 -13.849 1.00 0.00 H new ATOM 0 HA ASP A 91 11.379 6.300 -13.803 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.002 3.346 -14.106 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.363 3.964 -14.096 1.00 0.00 H new ATOM 1128 N SER A 92 12.289 4.664 -11.174 1.00 0.00 N ATOM 1129 CA SER A 92 11.987 4.397 -9.776 1.00 0.00 C ATOM 1130 C SER A 92 12.700 5.412 -8.888 1.00 0.00 C ATOM 1131 O SER A 92 12.719 5.290 -7.665 1.00 0.00 O ATOM 1132 CB SER A 92 12.421 2.978 -9.409 1.00 0.00 C ATOM 1133 OG SER A 92 11.861 2.028 -10.303 1.00 0.00 O ATOM 0 H SER A 92 13.252 4.462 -11.442 1.00 0.00 H new ATOM 0 HA SER A 92 10.912 4.486 -9.621 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.509 2.909 -9.433 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.110 2.751 -8.389 1.00 0.00 H new ATOM 0 HG SER A 92 12.154 1.128 -10.049 1.00 0.00 H new ATOM 1139 N CYS A 93 13.272 6.413 -9.524 1.00 0.00 N ATOM 1140 CA CYS A 93 14.008 7.451 -8.841 1.00 0.00 C ATOM 1141 C CYS A 93 13.048 8.475 -8.263 1.00 0.00 C ATOM 1142 O CYS A 93 12.295 9.107 -8.995 1.00 0.00 O ATOM 1143 CB CYS A 93 14.970 8.109 -9.818 1.00 0.00 C ATOM 1144 SG CYS A 93 16.046 9.329 -9.085 1.00 0.00 S ATOM 0 H CYS A 93 13.238 6.528 -10.537 1.00 0.00 H new ATOM 0 HA CYS A 93 14.578 7.017 -8.020 1.00 0.00 H new ATOM 0 HB2 CYS A 93 15.581 7.336 -10.283 1.00 0.00 H new ATOM 0 HB3 CYS A 93 14.394 8.582 -10.614 1.00 0.00 H new ATOM 1149 N LYS A 94 13.074 8.632 -6.950 1.00 0.00 N ATOM 1150 CA LYS A 94 12.141 9.527 -6.269 1.00 0.00 C ATOM 1151 C LYS A 94 12.885 10.682 -5.611 1.00 0.00 C ATOM 1152 O LYS A 94 12.409 11.270 -4.637 1.00 0.00 O ATOM 1153 CB LYS A 94 11.356 8.751 -5.201 1.00 0.00 C ATOM 1154 CG LYS A 94 10.806 7.405 -5.667 1.00 0.00 C ATOM 1155 CD LYS A 94 9.913 7.543 -6.891 1.00 0.00 C ATOM 1156 CE LYS A 94 9.303 6.207 -7.280 1.00 0.00 C ATOM 1157 NZ LYS A 94 8.357 5.708 -6.251 1.00 0.00 N ATOM 0 H LYS A 94 13.729 8.154 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 94 11.451 9.930 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.005 8.585 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.526 9.369 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.635 6.736 -5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.241 6.945 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.120 8.262 -6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.493 7.937 -7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.782 6.310 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.097 5.475 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.779 4.943 -6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.891 5.347 -5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.738 6.485 -5.943 1.00 0.00 H new ATOM 1171 N CYS A 95 14.028 11.017 -6.150 1.00 0.00 N ATOM 1172 CA CYS A 95 14.855 12.066 -5.578 1.00 0.00 C ATOM 1173 C CYS A 95 15.196 13.144 -6.597 1.00 0.00 C ATOM 1174 O CYS A 95 15.070 12.940 -7.807 1.00 0.00 O ATOM 1175 CB CYS A 95 16.116 11.472 -4.953 1.00 0.00 C ATOM 1176 SG CYS A 95 16.570 9.853 -5.607 1.00 0.00 S ATOM 0 H CYS A 95 14.415 10.581 -6.987 1.00 0.00 H new ATOM 0 HA CYS A 95 14.277 12.550 -4.791 1.00 0.00 H new ATOM 0 HB2 CYS A 95 16.946 12.161 -5.110 1.00 0.00 H new ATOM 0 HB3 CYS A 95 15.970 11.389 -3.876 1.00 0.00 H new ATOM 1181 N ASP A 96 15.592 14.307 -6.092 1.00 0.00 N ATOM 1182 CA ASP A 96 15.913 15.451 -6.928 1.00 0.00 C ATOM 1183 C ASP A 96 17.213 15.257 -7.673 1.00 0.00 C ATOM 1184 O ASP A 96 18.001 14.363 -7.367 1.00 0.00 O ATOM 1185 CB ASP A 96 15.958 16.746 -6.111 1.00 0.00 C ATOM 1186 CG ASP A 96 16.994 16.721 -5.009 1.00 0.00 C ATOM 1187 OD1 ASP A 96 18.024 17.401 -5.147 1.00 0.00 O ATOM 1188 OD2 ASP A 96 16.771 16.028 -3.990 1.00 0.00 O ATOM 0 H ASP A 96 15.699 14.480 -5.092 1.00 0.00 H new ATOM 0 HA ASP A 96 15.113 15.535 -7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.168 17.582 -6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.976 16.926 -5.673 1.00 0.00 H new ATOM 1193 N ARG A 97 17.455 16.134 -8.628 1.00 0.00 N ATOM 1194 CA ARG A 97 18.621 16.025 -9.490 1.00 0.00 C ATOM 1195 C ARG A 97 19.892 16.472 -8.785 1.00 0.00 C ATOM 1196 O ARG A 97 20.978 16.446 -9.364 1.00 0.00 O ATOM 1197 CB ARG A 97 18.427 16.828 -10.773 1.00 0.00 C ATOM 1198 CG ARG A 97 17.084 16.606 -11.419 1.00 0.00 C ATOM 1199 CD ARG A 97 16.987 17.282 -12.772 1.00 0.00 C ATOM 1200 NE ARG A 97 15.627 17.151 -13.345 1.00 0.00 N ATOM 1201 CZ ARG A 97 15.243 17.658 -14.532 1.00 0.00 C ATOM 1202 NH1 ARG A 97 16.113 18.316 -15.289 1.00 0.00 N ATOM 1203 NH2 ARG A 97 13.981 17.509 -14.947 1.00 0.00 N ATOM 0 H ARG A 97 16.857 16.935 -8.829 1.00 0.00 H new ATOM 0 HA ARG A 97 18.731 14.971 -9.744 1.00 0.00 H new ATOM 0 HB2 ARG A 97 18.544 17.889 -10.551 1.00 0.00 H new ATOM 0 HB3 ARG A 97 19.211 16.562 -11.482 1.00 0.00 H new ATOM 0 HG2 ARG A 97 16.910 15.536 -11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.300 16.988 -10.766 1.00 0.00 H new ATOM 0 HD2 ARG A 97 17.241 18.337 -12.672 1.00 0.00 H new ATOM 0 HD3 ARG A 97 17.715 16.842 -13.454 1.00 0.00 H new ATOM 0 HE ARG A 97 14.932 16.640 -12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.075 18.438 -14.972 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.820 18.699 -16.188 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.308 17.011 -14.364 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.691 17.893 -15.846 1.00 0.00 H new ATOM 1217 N SER A 98 19.760 16.873 -7.556 1.00 0.00 N ATOM 1218 CA SER A 98 20.895 17.304 -6.792 1.00 0.00 C ATOM 1219 C SER A 98 21.191 16.290 -5.686 1.00 0.00 C ATOM 1220 O SER A 98 21.798 16.624 -4.666 1.00 0.00 O ATOM 1221 CB SER A 98 20.630 18.698 -6.207 1.00 0.00 C ATOM 1222 OG SER A 98 21.823 19.281 -5.706 1.00 0.00 O ATOM 0 H SER A 98 18.871 16.911 -7.057 1.00 0.00 H new ATOM 0 HA SER A 98 21.769 17.367 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 98 20.202 19.342 -6.975 1.00 0.00 H new ATOM 0 HB3 SER A 98 19.894 18.625 -5.406 1.00 0.00 H new ATOM 0 HG SER A 98 22.307 18.622 -5.165 1.00 0.00 H new ATOM 1228 N CYS A 99 20.781 15.040 -5.904 1.00 0.00 N ATOM 1229 CA CYS A 99 20.996 13.997 -4.910 1.00 0.00 C ATOM 1230 C CYS A 99 22.373 13.353 -5.080 1.00 0.00 C ATOM 1231 O CYS A 99 23.119 13.694 -6.001 1.00 0.00 O ATOM 1232 CB CYS A 99 19.896 12.930 -4.984 1.00 0.00 C ATOM 1233 SG CYS A 99 19.887 11.782 -3.580 1.00 0.00 S ATOM 0 H CYS A 99 20.304 14.731 -6.751 1.00 0.00 H new ATOM 0 HA CYS A 99 20.954 14.465 -3.926 1.00 0.00 H new ATOM 0 HB2 CYS A 99 18.927 13.425 -5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 99 20.018 12.360 -5.905 1.00 0.00 H new ATOM 1238 N SER A 100 22.690 12.420 -4.193 1.00 0.00 N ATOM 1239 CA SER A 100 23.971 11.728 -4.195 1.00 0.00 C ATOM 1240 C SER A 100 24.131 10.843 -5.433 1.00 0.00 C ATOM 1241 O SER A 100 25.241 10.628 -5.913 1.00 0.00 O ATOM 1242 CB SER A 100 24.088 10.882 -2.936 1.00 0.00 C ATOM 1243 OG SER A 100 23.778 11.647 -1.786 1.00 0.00 O ATOM 0 H SER A 100 22.062 12.120 -3.447 1.00 0.00 H new ATOM 0 HA SER A 100 24.764 12.476 -4.218 1.00 0.00 H new ATOM 0 HB2 SER A 100 23.414 10.028 -3.003 1.00 0.00 H new ATOM 0 HB3 SER A 100 25.099 10.485 -2.852 1.00 0.00 H new ATOM 0 HG SER A 100 23.857 11.084 -0.988 1.00 0.00 H new ATOM 1249 N CYS A 101 23.026 10.322 -5.934 1.00 0.00 N ATOM 1250 CA CYS A 101 23.047 9.492 -7.129 1.00 0.00 C ATOM 1251 C CYS A 101 23.249 10.375 -8.341 1.00 0.00 C ATOM 1252 O CYS A 101 23.938 10.016 -9.304 1.00 0.00 O ATOM 1253 CB CYS A 101 21.717 8.764 -7.266 1.00 0.00 C ATOM 1254 SG CYS A 101 20.312 9.888 -7.459 1.00 0.00 S ATOM 0 H CYS A 101 22.099 10.458 -5.532 1.00 0.00 H new ATOM 0 HA CYS A 101 23.857 8.767 -7.054 1.00 0.00 H new ATOM 0 HB2 CYS A 101 21.762 8.096 -8.126 1.00 0.00 H new ATOM 0 HB3 CYS A 101 21.558 8.140 -6.386 1.00 0.00 H new ATOM 1259 N LYS A 102 22.646 11.538 -8.269 1.00 0.00 N ATOM 1260 CA LYS A 102 22.650 12.485 -9.318 1.00 0.00 C ATOM 1261 C LYS A 102 23.658 13.595 -9.025 1.00 0.00 C ATOM 1262 O LYS A 102 24.888 13.328 -9.139 1.00 0.00 O ATOM 1263 CB LYS A 102 21.250 13.060 -9.409 1.00 0.00 C ATOM 1264 CG LYS A 102 20.871 13.562 -10.763 1.00 0.00 C ATOM 1265 CD LYS A 102 20.355 12.453 -11.669 1.00 0.00 C ATOM 1266 CE LYS A 102 21.460 11.887 -12.566 1.00 0.00 C ATOM 1267 NZ LYS A 102 22.087 12.941 -13.420 1.00 0.00 N ATOM 0 H LYS A 102 22.128 11.845 -7.446 1.00 0.00 H new ATOM 0 HA LYS A 102 22.937 12.016 -10.259 1.00 0.00 H new ATOM 0 HB2 LYS A 102 20.536 12.293 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 102 21.160 13.878 -8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.105 14.331 -10.661 1.00 0.00 H new ATOM 0 HG3 LYS A 102 21.736 14.034 -11.228 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.936 11.652 -11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.546 12.838 -12.289 1.00 0.00 H new ATOM 0 HE2 LYS A 102 22.226 11.420 -11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 102 21.045 11.105 -13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.419 12.516 -14.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 21.386 13.680 -13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 22.893 13.362 -12.916 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 18.367 8.051 -8.481 1.00 0.00 CD HETATM 1283 CD CD A 202 20.008 5.513 -5.884 1.00 0.00 CD HETATM 1284 CD CD A 203 19.260 9.700 -5.211 1.00 0.00 CD HETATM 1285 CD CD A 204 8.360 15.917 -14.582 1.00 0.00 CD HETATM 1286 CD CD A 205 9.790 19.253 -12.563 1.00 0.00 CD HETATM 1287 CD CD A 206 11.055 18.465 -16.502 1.00 0.00 CD HETATM 1288 CD CD A 207 6.069 22.872 3.533 1.00 0.00 CD HETATM 1289 CD CD A 208 8.006 26.052 1.708 1.00 0.00 CD HETATM 1290 CD CD A 209 3.776 25.298 0.635 1.00 0.00 CD