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 1 GLY N :NH3+ -178:sc= 0.0772 (180deg=-0.144) USER MOD Set 1.2: A 2 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 100 SER OG : rot 180:sc= 0.609 USER MOD Set 2.1: A 45 THR OG1 : rot 150:sc= -0.174 USER MOD Set 2.2: A 47 THR OG1 : rot -140:sc= 0.00449 USER MOD Set 2.3: A 60 ASN : amide:sc= 0 X(o=-0.17,f=-0.17) USER MOD Set 3.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 3 MET CE :methyl -110:sc= -0.535 (180deg=-1.71) USER MOD Set 4.2: A 36 GLN : amide:sc= 0.436 K(o=-0.099,f=-1.2) USER MOD Single : A 12 THR OG1 : rot -170:sc= -0.831 USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= 1.27 (180deg=1.04) USER MOD Single : A 17 GLN : amide:sc= -3.09! K(o=-3.1!,f=-0.81) USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.00486 USER MOD Single : A 24 THR OG1 : rot 180:sc= -2.34! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.82) USER MOD Single : A 30 THR OG1 : rot -100:sc= 0.0246 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 37 SER OG : rot 87:sc= 1.36 USER MOD Single : A 39 LYS NZ :NH3+ -139:sc= 1.52 (180deg=-0.108) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -127:sc= 0.554 (180deg=0.0109) USER MOD Single : A 50 GLN : amide:sc= -2.04! C(o=-2!,f=-3.7!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -33:sc= 0.136 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.19) USER MOD Single : A 69 SER OG : rot -104:sc= 1.21 USER MOD Single : A 71 SER OG : rot 115:sc= 2.14 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0952 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= -0.0313 (180deg=-0.0313) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -4:sc= 0.887 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0718) USER MOD Single : A 98 SER OG : rot -156:sc= 0.857 USER MOD Single : A 102 LYS NZ :NH3+ -114:sc= -1.42 (180deg=-1.57!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.263 12.577 -1.030 1.00 0.00 N ATOM 2 CA GLY A 1 22.597 13.659 -1.810 1.00 0.00 C ATOM 3 C GLY A 1 21.254 14.055 -1.222 1.00 0.00 C ATOM 4 O GLY A 1 20.765 15.162 -1.468 1.00 0.00 O ATOM 0 H1 GLY A 1 24.190 12.366 -1.451 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.392 12.888 -0.046 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.672 11.722 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.248 14.533 -1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.456 13.328 -2.839 1.00 0.00 H new ATOM 7 N SER A 2 20.663 13.148 -0.442 1.00 0.00 N ATOM 8 CA SER A 2 19.373 13.387 0.191 1.00 0.00 C ATOM 9 C SER A 2 19.384 14.678 1.006 1.00 0.00 C ATOM 10 O SER A 2 20.343 14.962 1.740 1.00 0.00 O ATOM 11 CB SER A 2 18.994 12.196 1.074 1.00 0.00 C ATOM 12 OG SER A 2 20.084 11.805 1.901 1.00 0.00 O ATOM 0 H SER A 2 21.065 12.234 -0.235 1.00 0.00 H new ATOM 0 HA SER A 2 18.625 13.499 -0.594 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.138 12.458 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.689 11.357 0.448 1.00 0.00 H new ATOM 0 HG SER A 2 19.816 11.043 2.457 1.00 0.00 H new ATOM 18 N MET A 3 18.333 15.460 0.866 1.00 0.00 N ATOM 19 CA MET A 3 18.231 16.720 1.563 1.00 0.00 C ATOM 20 C MET A 3 17.799 16.507 2.999 1.00 0.00 C ATOM 21 O MET A 3 16.621 16.284 3.279 1.00 0.00 O ATOM 22 CB MET A 3 17.269 17.667 0.839 1.00 0.00 C ATOM 23 CG MET A 3 17.658 17.921 -0.606 1.00 0.00 C ATOM 24 SD MET A 3 16.710 19.240 -1.382 1.00 0.00 S ATOM 25 CE MET A 3 17.366 19.154 -3.049 1.00 0.00 C ATOM 0 H MET A 3 17.534 15.241 0.271 1.00 0.00 H new ATOM 0 HA MET A 3 19.218 17.183 1.572 1.00 0.00 H new ATOM 0 HB2 MET A 3 16.264 17.247 0.870 1.00 0.00 H new ATOM 0 HB3 MET A 3 17.234 18.617 1.372 1.00 0.00 H new ATOM 0 HG2 MET A 3 18.718 18.171 -0.650 1.00 0.00 H new ATOM 0 HG3 MET A 3 17.523 17.003 -1.177 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.977 20.035 -3.246 1.00 0.00 H new ATOM 0 HE2 MET A 3 17.978 18.258 -3.153 1.00 0.00 H new ATOM 0 HE3 MET A 3 16.543 19.116 -3.762 1.00 0.00 H new ATOM 35 N SER A 4 18.767 16.547 3.905 1.00 0.00 N ATOM 36 CA SER A 4 18.501 16.378 5.315 1.00 0.00 C ATOM 37 C SER A 4 17.599 17.496 5.811 1.00 0.00 C ATOM 38 O SER A 4 17.993 18.673 5.809 1.00 0.00 O ATOM 39 CB SER A 4 19.813 16.355 6.110 1.00 0.00 C ATOM 40 OG SER A 4 19.571 16.164 7.496 1.00 0.00 O ATOM 0 H SER A 4 19.750 16.697 3.679 1.00 0.00 H new ATOM 0 HA SER A 4 17.994 15.425 5.464 1.00 0.00 H new ATOM 0 HB2 SER A 4 20.453 15.556 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.350 17.291 5.958 1.00 0.00 H new ATOM 0 HG SER A 4 20.424 16.152 7.978 1.00 0.00 H new ATOM 46 N SER A 5 16.388 17.121 6.209 1.00 0.00 N ATOM 47 CA SER A 5 15.387 18.059 6.686 1.00 0.00 C ATOM 48 C SER A 5 15.035 19.061 5.601 1.00 0.00 C ATOM 49 O SER A 5 15.455 20.216 5.635 1.00 0.00 O ATOM 50 CB SER A 5 15.856 18.762 7.963 1.00 0.00 C ATOM 51 OG SER A 5 16.313 17.810 8.911 1.00 0.00 O ATOM 0 H SER A 5 16.075 16.150 6.208 1.00 0.00 H new ATOM 0 HA SER A 5 14.485 17.500 6.933 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.657 19.463 7.727 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.038 19.344 8.387 1.00 0.00 H new ATOM 0 HG SER A 5 16.611 18.273 9.722 1.00 0.00 H new ATOM 57 N VAL A 6 14.285 18.591 4.620 1.00 0.00 N ATOM 58 CA VAL A 6 13.866 19.419 3.504 1.00 0.00 C ATOM 59 C VAL A 6 12.932 20.537 3.981 1.00 0.00 C ATOM 60 O VAL A 6 12.903 21.629 3.413 1.00 0.00 O ATOM 61 CB VAL A 6 13.177 18.558 2.409 1.00 0.00 C ATOM 62 CG1 VAL A 6 11.869 17.954 2.911 1.00 0.00 C ATOM 63 CG2 VAL A 6 12.958 19.359 1.133 1.00 0.00 C ATOM 0 H VAL A 6 13.951 17.628 4.575 1.00 0.00 H new ATOM 0 HA VAL A 6 14.753 19.878 3.068 1.00 0.00 H new ATOM 0 HB VAL A 6 13.849 17.733 2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.415 17.359 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 6 12.069 17.318 3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.187 18.753 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.474 18.729 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.324 20.219 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.919 19.703 0.750 1.00 0.00 H new ATOM 73 N PHE A 7 12.197 20.259 5.045 1.00 0.00 N ATOM 74 CA PHE A 7 11.297 21.230 5.622 1.00 0.00 C ATOM 75 C PHE A 7 12.082 22.247 6.433 1.00 0.00 C ATOM 76 O PHE A 7 13.149 21.937 6.978 1.00 0.00 O ATOM 77 CB PHE A 7 10.239 20.540 6.506 1.00 0.00 C ATOM 78 CG PHE A 7 10.818 19.701 7.620 1.00 0.00 C ATOM 79 CD1 PHE A 7 10.943 20.216 8.900 1.00 0.00 C ATOM 80 CD2 PHE A 7 11.236 18.399 7.384 1.00 0.00 C ATOM 81 CE1 PHE A 7 11.471 19.453 9.921 1.00 0.00 C ATOM 82 CE2 PHE A 7 11.767 17.633 8.402 1.00 0.00 C ATOM 83 CZ PHE A 7 11.884 18.160 9.671 1.00 0.00 C ATOM 0 H PHE A 7 12.210 19.360 5.526 1.00 0.00 H new ATOM 0 HA PHE A 7 10.779 21.745 4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.590 21.302 6.939 1.00 0.00 H new ATOM 0 HB3 PHE A 7 9.612 19.907 5.877 1.00 0.00 H new ATOM 0 HD1 PHE A 7 10.623 21.228 9.101 1.00 0.00 H new ATOM 0 HD2 PHE A 7 11.145 17.980 6.393 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.561 19.867 10.914 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.091 16.622 8.205 1.00 0.00 H new ATOM 0 HZ PHE A 7 12.299 17.561 10.469 1.00 0.00 H new ATOM 93 N GLY A 8 11.574 23.452 6.492 1.00 0.00 N ATOM 94 CA GLY A 8 12.225 24.491 7.242 1.00 0.00 C ATOM 95 C GLY A 8 11.936 24.424 8.721 1.00 0.00 C ATOM 96 O GLY A 8 11.974 23.354 9.330 1.00 0.00 O ATOM 0 H GLY A 8 10.711 23.736 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.302 24.424 7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.907 25.461 6.859 1.00 0.00 H new ATOM 100 N ALA A 9 11.637 25.567 9.290 1.00 0.00 N ATOM 101 CA ALA A 9 11.341 25.668 10.697 1.00 0.00 C ATOM 102 C ALA A 9 10.049 26.411 10.875 1.00 0.00 C ATOM 103 O ALA A 9 10.013 27.536 11.371 1.00 0.00 O ATOM 104 CB ALA A 9 12.467 26.357 11.437 1.00 0.00 C ATOM 0 H ALA A 9 11.592 26.454 8.789 1.00 0.00 H new ATOM 0 HA ALA A 9 11.240 24.667 11.116 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.220 26.421 12.497 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.387 25.786 11.313 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.606 27.361 11.035 1.00 0.00 H new ATOM 110 N GLY A 10 9.007 25.801 10.399 1.00 0.00 N ATOM 111 CA GLY A 10 7.694 26.376 10.485 1.00 0.00 C ATOM 112 C GLY A 10 6.942 26.232 9.188 1.00 0.00 C ATOM 113 O GLY A 10 6.232 27.146 8.770 1.00 0.00 O ATOM 0 H GLY A 10 9.040 24.891 9.940 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.136 25.892 11.286 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.774 27.432 10.745 1.00 0.00 H new ATOM 117 N CYS A 11 7.112 25.094 8.531 1.00 0.00 N ATOM 118 CA CYS A 11 6.427 24.841 7.290 1.00 0.00 C ATOM 119 C CYS A 11 4.973 24.554 7.515 1.00 0.00 C ATOM 120 O CYS A 11 4.590 23.939 8.512 1.00 0.00 O ATOM 121 CB CYS A 11 7.054 23.679 6.537 1.00 0.00 C ATOM 122 SG CYS A 11 8.577 24.094 5.697 1.00 0.00 S ATOM 0 H CYS A 11 7.720 24.337 8.843 1.00 0.00 H new ATOM 0 HA CYS A 11 6.522 25.746 6.691 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.247 22.867 7.238 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.338 23.305 5.805 1.00 0.00 H new ATOM 127 N THR A 12 4.171 25.000 6.599 1.00 0.00 N ATOM 128 CA THR A 12 2.787 24.734 6.614 1.00 0.00 C ATOM 129 C THR A 12 2.569 23.330 6.087 1.00 0.00 C ATOM 130 O THR A 12 3.363 22.843 5.278 1.00 0.00 O ATOM 131 CB THR A 12 2.077 25.751 5.722 1.00 0.00 C ATOM 132 OG1 THR A 12 2.925 26.058 4.596 1.00 0.00 O ATOM 133 CG2 THR A 12 1.797 27.025 6.486 1.00 0.00 C ATOM 0 H THR A 12 4.477 25.569 5.810 1.00 0.00 H new ATOM 0 HA THR A 12 2.386 24.811 7.625 1.00 0.00 H new ATOM 0 HB THR A 12 1.131 25.326 5.385 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.553 26.820 4.105 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.291 27.737 5.834 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.161 26.803 7.343 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.737 27.455 6.833 1.00 0.00 H new ATOM 141 N ASP A 13 1.526 22.673 6.529 1.00 0.00 N ATOM 142 CA ASP A 13 1.260 21.317 6.080 1.00 0.00 C ATOM 143 C ASP A 13 0.886 21.294 4.609 1.00 0.00 C ATOM 144 O ASP A 13 0.857 20.239 3.981 1.00 0.00 O ATOM 145 CB ASP A 13 0.201 20.640 6.946 1.00 0.00 C ATOM 146 CG ASP A 13 0.736 20.311 8.329 1.00 0.00 C ATOM 147 OD1 ASP A 13 1.690 19.509 8.426 1.00 0.00 O ATOM 148 OD2 ASP A 13 0.219 20.859 9.323 1.00 0.00 O ATOM 0 H ASP A 13 0.848 23.046 7.194 1.00 0.00 H new ATOM 0 HA ASP A 13 2.179 20.741 6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.667 21.293 7.037 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.138 19.725 6.459 1.00 0.00 H new ATOM 153 N VAL A 14 0.626 22.478 4.059 1.00 0.00 N ATOM 154 CA VAL A 14 0.352 22.624 2.645 1.00 0.00 C ATOM 155 C VAL A 14 1.633 22.331 1.844 1.00 0.00 C ATOM 156 O VAL A 14 1.575 21.903 0.703 1.00 0.00 O ATOM 157 CB VAL A 14 -0.179 24.061 2.305 1.00 0.00 C ATOM 158 CG1 VAL A 14 0.922 25.097 2.353 1.00 0.00 C ATOM 159 CG2 VAL A 14 -0.863 24.093 0.955 1.00 0.00 C ATOM 0 H VAL A 14 0.601 23.353 4.583 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.427 21.912 2.372 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.912 24.311 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.510 26.077 2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.355 25.122 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.695 24.840 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.219 25.103 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.155 23.794 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.708 23.405 0.959 1.00 0.00 H new ATOM 169 N CYS A 15 2.786 22.523 2.494 1.00 0.00 N ATOM 170 CA CYS A 15 4.090 22.315 1.861 1.00 0.00 C ATOM 171 C CYS A 15 4.398 20.816 1.768 1.00 0.00 C ATOM 172 O CYS A 15 4.983 20.346 0.797 1.00 0.00 O ATOM 173 CB CYS A 15 5.176 23.046 2.683 1.00 0.00 C ATOM 174 SG CYS A 15 6.835 23.075 1.950 1.00 0.00 S ATOM 0 H CYS A 15 2.840 22.825 3.467 1.00 0.00 H new ATOM 0 HA CYS A 15 4.075 22.721 0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.852 24.074 2.844 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.241 22.575 3.664 1.00 0.00 H new ATOM 179 N LYS A 16 3.945 20.060 2.770 1.00 0.00 N ATOM 180 CA LYS A 16 4.205 18.624 2.835 1.00 0.00 C ATOM 181 C LYS A 16 3.200 17.835 1.993 1.00 0.00 C ATOM 182 O LYS A 16 3.242 16.602 1.957 1.00 0.00 O ATOM 183 CB LYS A 16 4.153 18.153 4.289 1.00 0.00 C ATOM 184 CG LYS A 16 5.066 18.938 5.215 1.00 0.00 C ATOM 185 CD LYS A 16 4.736 18.671 6.671 1.00 0.00 C ATOM 186 CE LYS A 16 4.852 19.951 7.485 1.00 0.00 C ATOM 187 NZ LYS A 16 4.314 19.780 8.858 1.00 0.00 N ATOM 0 H LYS A 16 3.395 20.422 3.549 1.00 0.00 H new ATOM 0 HA LYS A 16 5.199 18.442 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.128 18.231 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.426 17.099 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.104 18.669 5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.969 20.004 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.726 18.270 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.412 17.916 7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.898 20.254 7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.313 20.753 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.800 20.433 9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.295 19.986 8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.470 18.801 9.172 1.00 0.00 H new ATOM 201 N GLN A 17 2.299 18.550 1.322 1.00 0.00 N ATOM 202 CA GLN A 17 1.290 17.913 0.459 1.00 0.00 C ATOM 203 C GLN A 17 1.925 17.227 -0.752 1.00 0.00 C ATOM 204 O GLN A 17 3.148 17.217 -0.921 1.00 0.00 O ATOM 205 CB GLN A 17 0.250 18.920 -0.037 1.00 0.00 C ATOM 206 CG GLN A 17 -0.715 19.411 1.018 1.00 0.00 C ATOM 207 CD GLN A 17 -1.947 20.053 0.404 1.00 0.00 C ATOM 208 OE1 GLN A 17 -2.958 19.391 0.183 1.00 0.00 O ATOM 209 NE2 GLN A 17 -1.861 21.315 0.095 1.00 0.00 N ATOM 0 H GLN A 17 2.242 19.568 1.355 1.00 0.00 H new ATOM 0 HA GLN A 17 0.798 17.162 1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.771 19.779 -0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.320 18.463 -0.846 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.018 18.576 1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.212 20.133 1.662 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.004 21.832 0.294 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.650 21.787 -0.346 1.00 0.00 H new ATOM 218 N THR A 18 1.083 16.667 -1.601 1.00 0.00 N ATOM 219 CA THR A 18 1.543 15.977 -2.794 1.00 0.00 C ATOM 220 C THR A 18 0.567 16.208 -3.955 1.00 0.00 C ATOM 221 O THR A 18 -0.541 15.673 -3.955 1.00 0.00 O ATOM 222 CB THR A 18 1.679 14.462 -2.550 1.00 0.00 C ATOM 223 OG1 THR A 18 2.350 14.226 -1.299 1.00 0.00 O ATOM 224 CG2 THR A 18 2.474 13.812 -3.675 1.00 0.00 C ATOM 0 H THR A 18 0.070 16.677 -1.486 1.00 0.00 H new ATOM 0 HA THR A 18 2.523 16.383 -3.046 1.00 0.00 H new ATOM 0 HB THR A 18 0.680 14.026 -2.519 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.432 13.261 -1.149 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.561 12.742 -3.488 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.962 13.974 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.469 14.255 -3.720 1.00 0.00 H new ATOM 232 N PRO A 19 0.953 17.023 -4.953 1.00 0.00 N ATOM 233 CA PRO A 19 2.259 17.708 -4.986 1.00 0.00 C ATOM 234 C PRO A 19 2.329 18.850 -3.975 1.00 0.00 C ATOM 235 O PRO A 19 1.338 19.143 -3.302 1.00 0.00 O ATOM 236 CB PRO A 19 2.326 18.259 -6.414 1.00 0.00 C ATOM 237 CG PRO A 19 0.902 18.452 -6.806 1.00 0.00 C ATOM 238 CD PRO A 19 0.131 17.347 -6.137 1.00 0.00 C ATOM 0 HA PRO A 19 3.083 17.042 -4.730 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.879 19.198 -6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.832 17.564 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.539 19.429 -6.487 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.787 18.407 -7.889 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.871 17.670 -5.854 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.014 16.484 -6.793 1.00 0.00 H new ATOM 246 N CYS A 20 3.504 19.479 -3.867 1.00 0.00 N ATOM 247 CA CYS A 20 3.709 20.593 -2.937 1.00 0.00 C ATOM 248 C CYS A 20 2.609 21.619 -3.091 1.00 0.00 C ATOM 249 O CYS A 20 2.474 22.266 -4.137 1.00 0.00 O ATOM 250 CB CYS A 20 5.069 21.246 -3.171 1.00 0.00 C ATOM 251 SG CYS A 20 5.465 22.599 -2.031 1.00 0.00 S ATOM 0 H CYS A 20 4.329 19.234 -4.414 1.00 0.00 H new ATOM 0 HA CYS A 20 3.682 20.198 -1.921 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.842 20.482 -3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.103 21.627 -4.192 1.00 0.00 H new ATOM 256 N GLY A 21 1.831 21.761 -2.048 1.00 0.00 N ATOM 257 CA GLY A 21 0.705 22.642 -2.077 1.00 0.00 C ATOM 258 C GLY A 21 1.099 24.100 -2.036 1.00 0.00 C ATOM 259 O GLY A 21 0.271 24.969 -2.246 1.00 0.00 O ATOM 0 H GLY A 21 1.964 21.270 -1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.125 22.453 -2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.056 22.422 -1.229 1.00 0.00 H new ATOM 263 N CYS A 22 2.361 24.376 -1.780 1.00 0.00 N ATOM 264 CA CYS A 22 2.835 25.748 -1.770 1.00 0.00 C ATOM 265 C CYS A 22 2.854 26.329 -3.176 1.00 0.00 C ATOM 266 O CYS A 22 2.854 27.543 -3.357 1.00 0.00 O ATOM 267 CB CYS A 22 4.216 25.842 -1.157 1.00 0.00 C ATOM 268 SG CYS A 22 4.257 25.618 0.628 1.00 0.00 S ATOM 0 H CYS A 22 3.074 23.675 -1.577 1.00 0.00 H new ATOM 0 HA CYS A 22 2.142 26.328 -1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.857 25.091 -1.619 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.641 26.816 -1.398 1.00 0.00 H new ATOM 273 N ALA A 23 2.862 25.464 -4.169 1.00 0.00 N ATOM 274 CA ALA A 23 2.887 25.908 -5.543 1.00 0.00 C ATOM 275 C ALA A 23 1.510 25.815 -6.172 1.00 0.00 C ATOM 276 O ALA A 23 1.215 26.496 -7.151 1.00 0.00 O ATOM 277 CB ALA A 23 3.894 25.099 -6.341 1.00 0.00 C ATOM 0 H ALA A 23 2.852 24.451 -4.048 1.00 0.00 H new ATOM 0 HA ALA A 23 3.191 26.955 -5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.902 25.445 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.887 25.225 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.618 24.045 -6.313 1.00 0.00 H new ATOM 283 N THR A 24 0.670 24.980 -5.607 1.00 0.00 N ATOM 284 CA THR A 24 -0.652 24.773 -6.133 1.00 0.00 C ATOM 285 C THR A 24 -1.698 25.577 -5.366 1.00 0.00 C ATOM 286 O THR A 24 -2.628 26.131 -5.953 1.00 0.00 O ATOM 287 CB THR A 24 -1.007 23.288 -6.071 1.00 0.00 C ATOM 288 OG1 THR A 24 -0.848 22.808 -4.732 1.00 0.00 O ATOM 289 CG2 THR A 24 -0.111 22.490 -6.994 1.00 0.00 C ATOM 0 H THR A 24 0.885 24.430 -4.775 1.00 0.00 H new ATOM 0 HA THR A 24 -0.654 25.116 -7.168 1.00 0.00 H new ATOM 0 HB THR A 24 -2.043 23.167 -6.387 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.078 21.856 -4.696 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.378 21.435 -6.937 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.238 22.842 -8.018 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.929 22.618 -6.692 1.00 0.00 H new ATOM 297 N SER A 25 -1.529 25.645 -4.062 1.00 0.00 N ATOM 298 CA SER A 25 -2.473 26.320 -3.198 1.00 0.00 C ATOM 299 C SER A 25 -1.924 27.674 -2.763 1.00 0.00 C ATOM 300 O SER A 25 -2.657 28.668 -2.719 1.00 0.00 O ATOM 301 CB SER A 25 -2.752 25.452 -1.964 1.00 0.00 C ATOM 302 OG SER A 25 -3.963 25.820 -1.321 1.00 0.00 O ATOM 0 H SER A 25 -0.734 25.234 -3.572 1.00 0.00 H new ATOM 0 HA SER A 25 -3.400 26.481 -3.748 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.802 24.404 -2.261 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.925 25.545 -1.260 1.00 0.00 H new ATOM 0 HG SER A 25 -4.107 25.244 -0.541 1.00 0.00 H new ATOM 308 N GLY A 26 -0.635 27.714 -2.453 1.00 0.00 N ATOM 309 CA GLY A 26 -0.029 28.940 -1.990 1.00 0.00 C ATOM 310 C GLY A 26 1.080 28.681 -0.997 1.00 0.00 C ATOM 311 O GLY A 26 0.987 27.769 -0.173 1.00 0.00 O ATOM 0 H GLY A 26 -0.001 26.918 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.368 29.493 -2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.790 29.569 -1.528 1.00 0.00 H new ATOM 315 N CYS A 27 2.119 29.474 -1.075 1.00 0.00 N ATOM 316 CA CYS A 27 3.280 29.326 -0.213 1.00 0.00 C ATOM 317 C CYS A 27 3.054 30.092 1.095 1.00 0.00 C ATOM 318 O CYS A 27 2.714 31.275 1.066 1.00 0.00 O ATOM 319 CB CYS A 27 4.507 29.864 -0.947 1.00 0.00 C ATOM 320 SG CYS A 27 6.083 29.298 -0.303 1.00 0.00 S ATOM 0 H CYS A 27 2.190 30.245 -1.738 1.00 0.00 H new ATOM 0 HA CYS A 27 3.438 28.275 0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.437 29.580 -1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.486 30.953 -0.909 1.00 0.00 H new ATOM 325 N ASN A 28 3.231 29.422 2.240 1.00 0.00 N ATOM 326 CA ASN A 28 2.961 30.067 3.527 1.00 0.00 C ATOM 327 C ASN A 28 3.930 29.593 4.634 1.00 0.00 C ATOM 328 O ASN A 28 3.719 29.865 5.821 1.00 0.00 O ATOM 329 CB ASN A 28 1.515 29.775 3.934 1.00 0.00 C ATOM 330 CG ASN A 28 1.044 30.585 5.127 1.00 0.00 C ATOM 331 OD1 ASN A 28 1.405 31.752 5.290 1.00 0.00 O ATOM 332 ND2 ASN A 28 0.259 29.960 5.979 1.00 0.00 N ATOM 0 H ASN A 28 3.552 28.456 2.301 1.00 0.00 H new ATOM 0 HA ASN A 28 3.114 31.140 3.409 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.860 29.978 3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.419 28.714 4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.075 30.443 6.813 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.015 28.993 5.805 1.00 0.00 H new ATOM 339 N CYS A 29 4.987 28.901 4.254 1.00 0.00 N ATOM 340 CA CYS A 29 5.954 28.410 5.225 1.00 0.00 C ATOM 341 C CYS A 29 7.007 29.473 5.542 1.00 0.00 C ATOM 342 O CYS A 29 6.879 30.633 5.142 1.00 0.00 O ATOM 343 CB CYS A 29 6.622 27.156 4.696 1.00 0.00 C ATOM 344 SG CYS A 29 7.210 27.323 3.018 1.00 0.00 S ATOM 0 H CYS A 29 5.200 28.665 3.285 1.00 0.00 H new ATOM 0 HA CYS A 29 5.424 28.176 6.148 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.460 26.899 5.343 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.915 26.328 4.745 1.00 0.00 H new ATOM 349 N THR A 30 8.038 29.072 6.262 1.00 0.00 N ATOM 350 CA THR A 30 9.107 29.970 6.632 1.00 0.00 C ATOM 351 C THR A 30 10.205 29.959 5.568 1.00 0.00 C ATOM 352 O THR A 30 10.227 29.084 4.699 1.00 0.00 O ATOM 353 CB THR A 30 9.702 29.577 8.002 1.00 0.00 C ATOM 354 OG1 THR A 30 9.936 28.158 8.047 1.00 0.00 O ATOM 355 CG2 THR A 30 8.762 29.966 9.133 1.00 0.00 C ATOM 0 H THR A 30 8.155 28.118 6.604 1.00 0.00 H new ATOM 0 HA THR A 30 8.693 30.976 6.706 1.00 0.00 H new ATOM 0 HB THR A 30 10.644 30.111 8.128 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.207 27.722 8.536 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.203 29.679 10.088 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.600 31.044 9.117 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.808 29.454 9.006 1.00 0.00 H new ATOM 363 N ASP A 31 11.116 30.915 5.640 1.00 0.00 N ATOM 364 CA ASP A 31 12.212 30.996 4.678 1.00 0.00 C ATOM 365 C ASP A 31 13.306 30.000 5.015 1.00 0.00 C ATOM 366 O ASP A 31 14.310 29.894 4.309 1.00 0.00 O ATOM 367 CB ASP A 31 12.776 32.415 4.591 1.00 0.00 C ATOM 368 CG ASP A 31 11.875 33.341 3.804 1.00 0.00 C ATOM 369 OD1 ASP A 31 12.117 33.527 2.586 1.00 0.00 O ATOM 370 OD2 ASP A 31 10.913 33.882 4.385 1.00 0.00 O ATOM 0 H ASP A 31 11.122 31.646 6.351 1.00 0.00 H new ATOM 0 HA ASP A 31 11.809 30.739 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.913 32.812 5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.760 32.385 4.124 1.00 0.00 H new ATOM 375 N ASP A 32 13.107 29.270 6.102 1.00 0.00 N ATOM 376 CA ASP A 32 14.026 28.213 6.499 1.00 0.00 C ATOM 377 C ASP A 32 13.764 26.971 5.660 1.00 0.00 C ATOM 378 O ASP A 32 14.529 26.006 5.693 1.00 0.00 O ATOM 379 CB ASP A 32 13.871 27.875 7.989 1.00 0.00 C ATOM 380 CG ASP A 32 14.284 29.010 8.900 1.00 0.00 C ATOM 381 OD1 ASP A 32 15.500 29.205 9.095 1.00 0.00 O ATOM 382 OD2 ASP A 32 13.391 29.710 9.429 1.00 0.00 O ATOM 0 H ASP A 32 12.312 29.391 6.729 1.00 0.00 H new ATOM 0 HA ASP A 32 15.045 28.563 6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.832 27.615 8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.471 26.995 8.220 1.00 0.00 H new ATOM 387 N CYS A 33 12.647 27.003 4.928 1.00 0.00 N ATOM 388 CA CYS A 33 12.255 25.922 4.042 1.00 0.00 C ATOM 389 C CYS A 33 13.327 25.670 2.984 1.00 0.00 C ATOM 390 O CYS A 33 13.735 26.589 2.269 1.00 0.00 O ATOM 391 CB CYS A 33 10.925 26.269 3.365 1.00 0.00 C ATOM 392 SG CYS A 33 10.414 25.098 2.092 1.00 0.00 S ATOM 0 H CYS A 33 11.992 27.785 4.939 1.00 0.00 H new ATOM 0 HA CYS A 33 12.138 25.014 4.633 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.146 26.323 4.126 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.005 27.261 2.919 1.00 0.00 H new ATOM 397 N LYS A 34 13.776 24.429 2.889 1.00 0.00 N ATOM 398 CA LYS A 34 14.794 24.051 1.923 1.00 0.00 C ATOM 399 C LYS A 34 14.175 23.225 0.798 1.00 0.00 C ATOM 400 O LYS A 34 14.872 22.497 0.091 1.00 0.00 O ATOM 401 CB LYS A 34 15.911 23.245 2.604 1.00 0.00 C ATOM 402 CG LYS A 34 16.754 24.038 3.608 1.00 0.00 C ATOM 403 CD LYS A 34 18.036 23.279 3.995 1.00 0.00 C ATOM 404 CE LYS A 34 17.717 21.894 4.543 1.00 0.00 C ATOM 405 NZ LYS A 34 18.933 21.070 4.735 1.00 0.00 N ATOM 0 H LYS A 34 13.448 23.661 3.474 1.00 0.00 H new ATOM 0 HA LYS A 34 15.222 24.961 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.464 22.394 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.570 22.843 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.018 25.005 3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.164 24.237 4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.683 23.187 3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.587 23.850 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.195 21.994 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.039 21.383 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.665 20.137 5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.419 20.951 3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.570 21.543 5.408 1.00 0.00 H new ATOM 419 N CYS A 35 12.867 23.351 0.632 1.00 0.00 N ATOM 420 CA CYS A 35 12.152 22.607 -0.380 1.00 0.00 C ATOM 421 C CYS A 35 12.308 23.265 -1.749 1.00 0.00 C ATOM 422 O CYS A 35 12.170 24.480 -1.887 1.00 0.00 O ATOM 423 CB CYS A 35 10.679 22.487 -0.008 1.00 0.00 C ATOM 424 SG CYS A 35 9.740 21.400 -1.090 1.00 0.00 S ATOM 0 H CYS A 35 12.280 23.968 1.193 1.00 0.00 H new ATOM 0 HA CYS A 35 12.579 21.606 -0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.602 22.120 1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.228 23.479 -0.026 1.00 0.00 H new ATOM 429 N GLN A 36 12.579 22.450 -2.756 1.00 0.00 N ATOM 430 CA GLN A 36 12.816 22.937 -4.117 1.00 0.00 C ATOM 431 C GLN A 36 11.513 23.126 -4.873 1.00 0.00 C ATOM 432 O GLN A 36 11.495 23.682 -5.967 1.00 0.00 O ATOM 433 CB GLN A 36 13.685 21.937 -4.880 1.00 0.00 C ATOM 434 CG GLN A 36 14.883 21.445 -4.099 1.00 0.00 C ATOM 435 CD GLN A 36 15.820 22.559 -3.707 1.00 0.00 C ATOM 436 OE1 GLN A 36 15.968 23.547 -4.427 1.00 0.00 O ATOM 437 NE2 GLN A 36 16.452 22.422 -2.558 1.00 0.00 N ATOM 0 H GLN A 36 12.642 21.436 -2.660 1.00 0.00 H new ATOM 0 HA GLN A 36 13.321 23.900 -4.041 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.073 21.081 -5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.031 22.402 -5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.540 20.931 -3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.426 20.713 -4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.302 21.588 -1.990 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.090 23.150 -2.237 1.00 0.00 H new ATOM 446 N SER A 37 10.429 22.677 -4.282 1.00 0.00 N ATOM 447 CA SER A 37 9.143 22.709 -4.942 1.00 0.00 C ATOM 448 C SER A 37 8.578 24.119 -4.961 1.00 0.00 C ATOM 449 O SER A 37 8.151 24.616 -6.002 1.00 0.00 O ATOM 450 CB SER A 37 8.182 21.765 -4.237 1.00 0.00 C ATOM 451 OG SER A 37 8.829 20.548 -3.882 1.00 0.00 O ATOM 0 H SER A 37 10.412 22.284 -3.341 1.00 0.00 H new ATOM 0 HA SER A 37 9.273 22.385 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.787 22.245 -3.342 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.333 21.553 -4.887 1.00 0.00 H new ATOM 0 HG SER A 37 9.258 20.649 -3.007 1.00 0.00 H new ATOM 457 N CYS A 38 8.580 24.762 -3.814 1.00 0.00 N ATOM 458 CA CYS A 38 8.074 26.106 -3.718 1.00 0.00 C ATOM 459 C CYS A 38 9.172 27.131 -3.996 1.00 0.00 C ATOM 460 O CYS A 38 8.900 28.315 -4.192 1.00 0.00 O ATOM 461 CB CYS A 38 7.428 26.328 -2.353 1.00 0.00 C ATOM 462 SG CYS A 38 8.395 25.699 -0.957 1.00 0.00 S ATOM 0 H CYS A 38 8.927 24.373 -2.937 1.00 0.00 H new ATOM 0 HA CYS A 38 7.309 26.245 -4.482 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.262 27.396 -2.212 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.449 25.850 -2.346 1.00 0.00 H new ATOM 467 N LYS A 39 10.413 26.664 -4.025 1.00 0.00 N ATOM 468 CA LYS A 39 11.554 27.527 -4.313 1.00 0.00 C ATOM 469 C LYS A 39 12.081 27.236 -5.701 1.00 0.00 C ATOM 470 O LYS A 39 13.270 26.975 -5.898 1.00 0.00 O ATOM 471 CB LYS A 39 12.670 27.360 -3.261 1.00 0.00 C ATOM 472 CG LYS A 39 12.418 28.102 -1.944 1.00 0.00 C ATOM 473 CD LYS A 39 11.107 27.685 -1.313 1.00 0.00 C ATOM 474 CE LYS A 39 10.872 28.357 0.031 1.00 0.00 C ATOM 475 NZ LYS A 39 9.552 27.977 0.620 1.00 0.00 N ATOM 0 H LYS A 39 10.657 25.689 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 39 11.217 28.563 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.794 26.298 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.609 27.712 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.236 27.903 -1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.409 29.177 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.287 27.931 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.098 26.603 -1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.670 28.080 0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.917 29.439 -0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.108 28.815 1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.934 27.600 -0.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.694 27.251 1.351 1.00 0.00 H new ATOM 489 N TYR A 40 11.173 27.270 -6.662 1.00 0.00 N ATOM 490 CA TYR A 40 11.502 27.026 -8.054 1.00 0.00 C ATOM 491 C TYR A 40 12.484 28.075 -8.588 1.00 0.00 C ATOM 492 O TYR A 40 12.799 29.060 -7.914 1.00 0.00 O ATOM 493 CB TYR A 40 10.225 27.002 -8.909 1.00 0.00 C ATOM 494 CG TYR A 40 9.449 28.307 -8.915 1.00 0.00 C ATOM 495 CD1 TYR A 40 9.533 29.179 -9.992 1.00 0.00 C ATOM 496 CD2 TYR A 40 8.633 28.664 -7.848 1.00 0.00 C ATOM 497 CE1 TYR A 40 8.827 30.364 -10.006 1.00 0.00 C ATOM 498 CE2 TYR A 40 7.925 29.850 -7.856 1.00 0.00 C ATOM 499 CZ TYR A 40 8.027 30.694 -8.938 1.00 0.00 C ATOM 500 OH TYR A 40 7.317 31.872 -8.955 1.00 0.00 O ATOM 0 H TYR A 40 10.186 27.468 -6.497 1.00 0.00 H new ATOM 0 HA TYR A 40 11.987 26.052 -8.118 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.494 26.749 -9.935 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.573 26.208 -8.545 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.162 28.925 -10.833 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.551 28.003 -6.998 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.903 31.030 -10.853 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.296 30.113 -7.019 1.00 0.00 H new ATOM 0 HH TYR A 40 6.801 31.955 -8.126 1.00 0.00 H new ATOM 510 N GLY A 41 12.943 27.868 -9.804 1.00 0.00 N ATOM 511 CA GLY A 41 13.908 28.764 -10.389 1.00 0.00 C ATOM 512 C GLY A 41 15.244 28.092 -10.592 1.00 0.00 C ATOM 513 O GLY A 41 15.937 28.356 -11.569 1.00 0.00 O ATOM 0 H GLY A 41 12.663 27.090 -10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.534 29.127 -11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.033 29.635 -9.745 1.00 0.00 H new ATOM 517 N ALA A 42 15.601 27.210 -9.673 1.00 0.00 N ATOM 518 CA ALA A 42 16.869 26.500 -9.755 1.00 0.00 C ATOM 519 C ALA A 42 16.656 25.003 -9.966 1.00 0.00 C ATOM 520 O ALA A 42 17.612 24.238 -10.053 1.00 0.00 O ATOM 521 CB ALA A 42 17.692 26.746 -8.500 1.00 0.00 C ATOM 0 H ALA A 42 15.032 26.968 -8.862 1.00 0.00 H new ATOM 0 HA ALA A 42 17.414 26.884 -10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 42 18.638 26.209 -8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 42 17.888 27.813 -8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 42 17.141 26.392 -7.629 1.00 0.00 H new ATOM 527 N GLY A 43 15.407 24.589 -10.072 1.00 0.00 N ATOM 528 CA GLY A 43 15.128 23.180 -10.245 1.00 0.00 C ATOM 529 C GLY A 43 13.945 22.885 -11.141 1.00 0.00 C ATOM 530 O GLY A 43 13.802 21.772 -11.621 1.00 0.00 O ATOM 0 H GLY A 43 14.587 25.195 -10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.012 22.695 -10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.948 22.734 -9.267 1.00 0.00 H new ATOM 534 N CYS A 44 13.151 23.886 -11.419 1.00 0.00 N ATOM 535 CA CYS A 44 11.911 23.688 -12.167 1.00 0.00 C ATOM 536 C CYS A 44 11.801 24.603 -13.363 1.00 0.00 C ATOM 537 O CYS A 44 12.754 25.296 -13.731 1.00 0.00 O ATOM 538 CB CYS A 44 10.698 23.909 -11.259 1.00 0.00 C ATOM 539 SG CYS A 44 10.197 22.469 -10.316 1.00 0.00 S ATOM 0 H CYS A 44 13.330 24.852 -11.144 1.00 0.00 H new ATOM 0 HA CYS A 44 11.930 22.660 -12.530 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.923 24.720 -10.566 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.858 24.236 -11.871 1.00 0.00 H new ATOM 544 N THR A 45 10.626 24.594 -13.953 1.00 0.00 N ATOM 545 CA THR A 45 10.294 25.418 -15.075 1.00 0.00 C ATOM 546 C THR A 45 8.788 25.663 -15.054 1.00 0.00 C ATOM 547 O THR A 45 8.074 25.093 -14.214 1.00 0.00 O ATOM 548 CB THR A 45 10.703 24.744 -16.413 1.00 0.00 C ATOM 549 OG1 THR A 45 10.380 25.596 -17.519 1.00 0.00 O ATOM 550 CG2 THR A 45 10.000 23.403 -16.584 1.00 0.00 C ATOM 0 H THR A 45 9.859 23.993 -13.650 1.00 0.00 H new ATOM 0 HA THR A 45 10.839 26.359 -15.004 1.00 0.00 H new ATOM 0 HB THR A 45 11.780 24.576 -16.388 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.016 25.441 -18.248 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.303 22.951 -17.528 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.273 22.742 -15.761 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.921 23.555 -16.585 1.00 0.00 H new ATOM 558 N ASP A 46 8.305 26.475 -15.963 1.00 0.00 N ATOM 559 CA ASP A 46 6.881 26.791 -16.029 1.00 0.00 C ATOM 560 C ASP A 46 6.091 25.624 -16.596 1.00 0.00 C ATOM 561 O ASP A 46 4.867 25.588 -16.512 1.00 0.00 O ATOM 562 CB ASP A 46 6.640 28.050 -16.866 1.00 0.00 C ATOM 563 CG ASP A 46 7.151 29.303 -16.192 1.00 0.00 C ATOM 564 OD1 ASP A 46 6.398 29.905 -15.400 1.00 0.00 O ATOM 565 OD2 ASP A 46 8.306 29.690 -16.440 1.00 0.00 O ATOM 0 H ASP A 46 8.872 26.936 -16.675 1.00 0.00 H new ATOM 0 HA ASP A 46 6.535 26.980 -15.013 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.129 27.937 -17.834 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.572 28.155 -17.058 1.00 0.00 H new ATOM 570 N THR A 47 6.801 24.667 -17.162 1.00 0.00 N ATOM 571 CA THR A 47 6.189 23.501 -17.762 1.00 0.00 C ATOM 572 C THR A 47 5.821 22.453 -16.695 1.00 0.00 C ATOM 573 O THR A 47 4.915 21.650 -16.891 1.00 0.00 O ATOM 574 CB THR A 47 7.149 22.860 -18.784 1.00 0.00 C ATOM 575 OG1 THR A 47 8.003 23.869 -19.341 1.00 0.00 O ATOM 576 CG2 THR A 47 6.375 22.194 -19.907 1.00 0.00 C ATOM 0 H THR A 47 7.819 24.678 -17.218 1.00 0.00 H new ATOM 0 HA THR A 47 5.279 23.829 -18.264 1.00 0.00 H new ATOM 0 HB THR A 47 7.744 22.106 -18.269 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.121 23.705 -20.300 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.073 21.749 -20.616 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.732 21.417 -19.494 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.764 22.938 -20.418 1.00 0.00 H new ATOM 584 N CYS A 48 6.509 22.491 -15.565 1.00 0.00 N ATOM 585 CA CYS A 48 6.290 21.506 -14.506 1.00 0.00 C ATOM 586 C CYS A 48 5.100 21.899 -13.618 1.00 0.00 C ATOM 587 O CYS A 48 4.217 21.089 -13.349 1.00 0.00 O ATOM 588 CB CYS A 48 7.569 21.342 -13.663 1.00 0.00 C ATOM 589 SG CYS A 48 7.522 19.996 -12.449 1.00 0.00 S ATOM 0 H CYS A 48 7.222 23.189 -15.353 1.00 0.00 H new ATOM 0 HA CYS A 48 6.052 20.550 -14.972 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.410 21.175 -14.336 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.762 22.278 -13.138 1.00 0.00 H new ATOM 594 N LYS A 49 5.044 23.171 -13.224 1.00 0.00 N ATOM 595 CA LYS A 49 4.002 23.659 -12.313 1.00 0.00 C ATOM 596 C LYS A 49 2.646 23.861 -13.003 1.00 0.00 C ATOM 597 O LYS A 49 1.756 24.510 -12.453 1.00 0.00 O ATOM 598 CB LYS A 49 4.449 24.962 -11.652 1.00 0.00 C ATOM 599 CG LYS A 49 5.196 25.907 -12.587 1.00 0.00 C ATOM 600 CD LYS A 49 5.236 27.329 -12.046 1.00 0.00 C ATOM 601 CE LYS A 49 5.692 27.380 -10.593 1.00 0.00 C ATOM 602 NZ LYS A 49 5.441 28.708 -9.984 1.00 0.00 N ATOM 0 H LYS A 49 5.708 23.886 -13.521 1.00 0.00 H new ATOM 0 HA LYS A 49 3.861 22.886 -11.557 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.573 25.476 -11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.090 24.725 -10.803 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.214 25.545 -12.731 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.715 25.904 -13.565 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.909 27.930 -12.658 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.245 27.776 -12.130 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.170 26.613 -10.021 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.756 27.150 -10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.321 29.069 -9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.111 29.369 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.715 28.619 -9.245 1.00 0.00 H new ATOM 616 N GLN A 50 2.487 23.293 -14.185 1.00 0.00 N ATOM 617 CA GLN A 50 1.235 23.421 -14.934 1.00 0.00 C ATOM 618 C GLN A 50 0.080 22.704 -14.235 1.00 0.00 C ATOM 619 O GLN A 50 -1.064 23.160 -14.292 1.00 0.00 O ATOM 620 CB GLN A 50 1.395 22.879 -16.338 1.00 0.00 C ATOM 621 CG GLN A 50 2.496 23.552 -17.117 1.00 0.00 C ATOM 622 CD GLN A 50 2.316 23.437 -18.607 1.00 0.00 C ATOM 623 OE1 GLN A 50 1.710 22.489 -19.103 1.00 0.00 O ATOM 624 NE2 GLN A 50 2.859 24.382 -19.328 1.00 0.00 N ATOM 0 H GLN A 50 3.204 22.738 -14.652 1.00 0.00 H new ATOM 0 HA GLN A 50 0.997 24.484 -14.982 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.598 21.809 -16.286 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.454 22.999 -16.875 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.537 24.606 -16.842 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.453 23.112 -16.837 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.353 25.150 -18.874 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.789 24.351 -20.345 1.00 0.00 H new ATOM 633 N THR A 51 0.393 21.578 -13.587 1.00 0.00 N ATOM 634 CA THR A 51 -0.601 20.776 -12.855 1.00 0.00 C ATOM 635 C THR A 51 -1.546 20.019 -13.823 1.00 0.00 C ATOM 636 O THR A 51 -2.396 20.626 -14.479 1.00 0.00 O ATOM 637 CB THR A 51 -1.425 21.644 -11.877 1.00 0.00 C ATOM 638 OG1 THR A 51 -0.536 22.470 -11.106 1.00 0.00 O ATOM 639 CG2 THR A 51 -2.238 20.769 -10.935 1.00 0.00 C ATOM 0 H THR A 51 1.338 21.195 -13.553 1.00 0.00 H new ATOM 0 HA THR A 51 -0.045 20.041 -12.273 1.00 0.00 H new ATOM 0 HB THR A 51 -2.108 22.266 -12.456 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.057 23.022 -10.487 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.810 21.400 -10.255 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.921 20.147 -11.514 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.566 20.132 -10.360 1.00 0.00 H new ATOM 647 N PRO A 52 -1.404 18.672 -13.919 1.00 0.00 N ATOM 648 CA PRO A 52 -0.422 17.908 -13.139 1.00 0.00 C ATOM 649 C PRO A 52 0.990 18.254 -13.553 1.00 0.00 C ATOM 650 O PRO A 52 1.791 18.702 -12.741 1.00 0.00 O ATOM 651 CB PRO A 52 -0.737 16.439 -13.484 1.00 0.00 C ATOM 652 CG PRO A 52 -2.081 16.469 -14.132 1.00 0.00 C ATOM 653 CD PRO A 52 -2.177 17.799 -14.811 1.00 0.00 C ATOM 0 HA PRO A 52 -0.485 18.119 -12.072 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.014 16.022 -14.155 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.745 15.817 -12.589 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.187 15.655 -14.849 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.874 16.349 -13.394 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.756 17.772 -15.816 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.211 18.131 -14.907 1.00 0.00 H new ATOM 661 N CYS A 53 1.276 18.084 -14.826 1.00 0.00 N ATOM 662 CA CYS A 53 2.572 18.400 -15.348 1.00 0.00 C ATOM 663 C CYS A 53 2.515 18.541 -16.860 1.00 0.00 C ATOM 664 O CYS A 53 1.892 17.727 -17.539 1.00 0.00 O ATOM 665 CB CYS A 53 3.554 17.316 -14.978 1.00 0.00 C ATOM 666 SG CYS A 53 5.244 17.804 -15.229 1.00 0.00 S ATOM 0 H CYS A 53 0.617 17.725 -15.517 1.00 0.00 H new ATOM 0 HA CYS A 53 2.898 19.347 -14.917 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.411 17.044 -13.932 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.346 16.425 -15.571 1.00 0.00 H new ATOM 671 N GLY A 54 3.154 19.571 -17.390 1.00 0.00 N ATOM 672 CA GLY A 54 3.144 19.768 -18.815 1.00 0.00 C ATOM 673 C GLY A 54 4.446 19.371 -19.478 1.00 0.00 C ATOM 674 O GLY A 54 4.564 19.443 -20.700 1.00 0.00 O ATOM 0 H GLY A 54 3.676 20.268 -16.859 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.330 19.188 -19.250 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.939 20.817 -19.029 1.00 0.00 H new ATOM 678 N CYS A 55 5.434 18.963 -18.683 1.00 0.00 N ATOM 679 CA CYS A 55 6.712 18.561 -19.224 1.00 0.00 C ATOM 680 C CYS A 55 6.598 17.233 -19.970 1.00 0.00 C ATOM 681 O CYS A 55 6.628 17.200 -21.199 1.00 0.00 O ATOM 682 CB CYS A 55 7.754 18.454 -18.114 1.00 0.00 C ATOM 683 SG CYS A 55 8.241 20.026 -17.369 1.00 0.00 S ATOM 0 H CYS A 55 5.365 18.905 -17.667 1.00 0.00 H new ATOM 0 HA CYS A 55 7.031 19.325 -19.933 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.363 17.804 -17.331 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.643 17.969 -18.517 1.00 0.00 H new ATOM 688 N GLY A 56 6.440 16.147 -19.223 1.00 0.00 N ATOM 689 CA GLY A 56 6.377 14.832 -19.833 1.00 0.00 C ATOM 690 C GLY A 56 7.685 14.476 -20.512 1.00 0.00 C ATOM 691 O GLY A 56 8.684 14.198 -19.844 1.00 0.00 O ATOM 0 H GLY A 56 6.354 16.153 -18.207 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.145 14.087 -19.072 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.567 14.806 -20.562 1.00 0.00 H new ATOM 695 N SER A 57 7.687 14.495 -21.833 1.00 0.00 N ATOM 696 CA SER A 57 8.896 14.238 -22.593 1.00 0.00 C ATOM 697 C SER A 57 9.501 15.566 -23.051 1.00 0.00 C ATOM 698 O SER A 57 10.621 15.619 -23.562 1.00 0.00 O ATOM 699 CB SER A 57 8.594 13.332 -23.798 1.00 0.00 C ATOM 700 OG SER A 57 9.789 12.921 -24.451 1.00 0.00 O ATOM 0 H SER A 57 6.863 14.686 -22.402 1.00 0.00 H new ATOM 0 HA SER A 57 9.615 13.721 -21.958 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.039 12.455 -23.465 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.956 13.864 -24.504 1.00 0.00 H new ATOM 0 HG SER A 57 10.456 13.636 -24.392 1.00 0.00 H new ATOM 706 N GLY A 58 8.759 16.636 -22.828 1.00 0.00 N ATOM 707 CA GLY A 58 9.200 17.957 -23.212 1.00 0.00 C ATOM 708 C GLY A 58 9.510 18.779 -21.996 1.00 0.00 C ATOM 709 O GLY A 58 8.853 19.781 -21.718 1.00 0.00 O ATOM 0 H GLY A 58 7.843 16.611 -22.380 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.085 17.882 -23.844 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.427 18.448 -23.803 1.00 0.00 H new ATOM 713 N CYS A 59 10.498 18.336 -21.263 1.00 0.00 N ATOM 714 CA CYS A 59 10.884 18.969 -20.030 1.00 0.00 C ATOM 715 C CYS A 59 11.857 20.115 -20.269 1.00 0.00 C ATOM 716 O CYS A 59 12.708 20.049 -21.163 1.00 0.00 O ATOM 717 CB CYS A 59 11.488 17.927 -19.102 1.00 0.00 C ATOM 718 SG CYS A 59 12.345 18.603 -17.676 1.00 0.00 S ATOM 0 H CYS A 59 11.061 17.521 -21.507 1.00 0.00 H new ATOM 0 HA CYS A 59 9.997 19.399 -19.564 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.694 17.267 -18.753 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.186 17.313 -19.672 1.00 0.00 H new ATOM 723 N ASN A 60 11.720 21.168 -19.470 1.00 0.00 N ATOM 724 CA ASN A 60 12.579 22.343 -19.580 1.00 0.00 C ATOM 725 C ASN A 60 13.050 22.792 -18.201 1.00 0.00 C ATOM 726 O ASN A 60 13.422 23.947 -18.009 1.00 0.00 O ATOM 727 CB ASN A 60 11.840 23.502 -20.275 1.00 0.00 C ATOM 728 CG ASN A 60 11.435 23.180 -21.703 1.00 0.00 C ATOM 729 OD1 ASN A 60 12.215 23.358 -22.638 1.00 0.00 O ATOM 730 ND2 ASN A 60 10.204 22.730 -21.884 1.00 0.00 N ATOM 0 H ASN A 60 11.017 21.232 -18.734 1.00 0.00 H new ATOM 0 HA ASN A 60 13.445 22.067 -20.182 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.949 23.754 -19.699 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.480 24.384 -20.275 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.872 22.518 -22.825 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.587 22.596 -21.083 1.00 0.00 H new ATOM 737 N CYS A 61 13.038 21.869 -17.242 1.00 0.00 N ATOM 738 CA CYS A 61 13.449 22.177 -15.871 1.00 0.00 C ATOM 739 C CYS A 61 14.945 22.424 -15.760 1.00 0.00 C ATOM 740 O CYS A 61 15.671 22.409 -16.755 1.00 0.00 O ATOM 741 CB CYS A 61 13.048 21.059 -14.916 1.00 0.00 C ATOM 742 SG CYS A 61 11.325 21.095 -14.430 1.00 0.00 S ATOM 0 H CYS A 61 12.749 20.902 -17.387 1.00 0.00 H new ATOM 0 HA CYS A 61 12.932 23.095 -15.593 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.261 20.099 -15.387 1.00 0.00 H new ATOM 0 HB3 CYS A 61 13.668 21.120 -14.022 1.00 0.00 H new ATOM 747 N LYS A 62 15.401 22.625 -14.540 1.00 0.00 N ATOM 748 CA LYS A 62 16.791 22.889 -14.292 1.00 0.00 C ATOM 749 C LYS A 62 17.482 21.588 -13.899 1.00 0.00 C ATOM 750 O LYS A 62 17.900 20.828 -14.761 1.00 0.00 O ATOM 751 CB LYS A 62 16.945 23.964 -13.197 1.00 0.00 C ATOM 752 CG LYS A 62 16.257 25.311 -13.491 1.00 0.00 C ATOM 753 CD LYS A 62 17.125 26.267 -14.326 1.00 0.00 C ATOM 754 CE LYS A 62 17.264 25.805 -15.756 1.00 0.00 C ATOM 755 NZ LYS A 62 17.976 26.798 -16.588 1.00 0.00 N ATOM 0 H LYS A 62 14.818 22.609 -13.703 1.00 0.00 H new ATOM 0 HA LYS A 62 17.262 23.275 -15.196 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.545 23.567 -12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 62 18.008 24.146 -13.037 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.321 25.126 -14.019 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.001 25.794 -12.548 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.685 27.264 -14.309 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.113 26.347 -13.874 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.802 24.857 -15.781 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.275 25.621 -16.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.051 26.444 -17.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.449 27.695 -16.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.929 26.955 -16.202 1.00 0.00 H new ATOM 769 N GLU A 63 17.558 21.316 -12.603 1.00 0.00 N ATOM 770 CA GLU A 63 18.143 20.070 -12.108 1.00 0.00 C ATOM 771 C GLU A 63 17.556 19.690 -10.764 1.00 0.00 C ATOM 772 O GLU A 63 17.327 18.526 -10.487 1.00 0.00 O ATOM 773 CB GLU A 63 19.667 20.157 -11.996 1.00 0.00 C ATOM 774 CG GLU A 63 20.398 19.997 -13.316 1.00 0.00 C ATOM 775 CD GLU A 63 21.832 19.571 -13.138 1.00 0.00 C ATOM 776 OE1 GLU A 63 22.706 20.443 -13.004 1.00 0.00 O ATOM 777 OE2 GLU A 63 22.096 18.353 -13.147 1.00 0.00 O ATOM 0 H GLU A 63 17.222 21.942 -11.871 1.00 0.00 H new ATOM 0 HA GLU A 63 17.899 19.298 -12.838 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.934 21.120 -11.560 1.00 0.00 H new ATOM 0 HB3 GLU A 63 20.014 19.388 -11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.878 19.260 -13.928 1.00 0.00 H new ATOM 0 HG3 GLU A 63 20.368 20.941 -13.860 1.00 0.00 H new ATOM 784 N ASP A 64 17.298 20.680 -9.942 1.00 0.00 N ATOM 785 CA ASP A 64 16.759 20.464 -8.617 1.00 0.00 C ATOM 786 C ASP A 64 15.247 20.263 -8.649 1.00 0.00 C ATOM 787 O ASP A 64 14.503 20.931 -7.940 1.00 0.00 O ATOM 788 CB ASP A 64 17.136 21.635 -7.719 1.00 0.00 C ATOM 789 CG ASP A 64 18.571 21.550 -7.238 1.00 0.00 C ATOM 790 OD1 ASP A 64 18.991 20.459 -6.787 1.00 0.00 O ATOM 791 OD2 ASP A 64 19.292 22.570 -7.321 1.00 0.00 O ATOM 0 H ASP A 64 17.456 21.661 -10.173 1.00 0.00 H new ATOM 0 HA ASP A 64 17.191 19.548 -8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.992 22.569 -8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 64 16.467 21.661 -6.859 1.00 0.00 H new ATOM 796 N CYS A 65 14.808 19.346 -9.487 1.00 0.00 N ATOM 797 CA CYS A 65 13.394 19.018 -9.597 1.00 0.00 C ATOM 798 C CYS A 65 13.097 17.792 -8.761 1.00 0.00 C ATOM 799 O CYS A 65 13.922 16.879 -8.678 1.00 0.00 O ATOM 800 CB CYS A 65 13.003 18.771 -11.060 1.00 0.00 C ATOM 801 SG CYS A 65 11.260 18.315 -11.313 1.00 0.00 S ATOM 0 H CYS A 65 15.413 18.809 -10.108 1.00 0.00 H new ATOM 0 HA CYS A 65 12.807 19.860 -9.230 1.00 0.00 H new ATOM 0 HB2 CYS A 65 13.216 19.671 -11.636 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.634 17.978 -11.462 1.00 0.00 H new ATOM 806 N ARG A 66 11.936 17.768 -8.141 1.00 0.00 N ATOM 807 CA ARG A 66 11.560 16.663 -7.276 1.00 0.00 C ATOM 808 C ARG A 66 10.422 15.876 -7.885 1.00 0.00 C ATOM 809 O ARG A 66 9.844 14.992 -7.250 1.00 0.00 O ATOM 810 CB ARG A 66 11.149 17.186 -5.915 1.00 0.00 C ATOM 811 CG ARG A 66 12.104 18.210 -5.356 1.00 0.00 C ATOM 812 CD ARG A 66 11.908 18.381 -3.878 1.00 0.00 C ATOM 813 NE ARG A 66 12.548 17.287 -3.162 1.00 0.00 N ATOM 814 CZ ARG A 66 11.950 16.418 -2.356 1.00 0.00 C ATOM 815 NH1 ARG A 66 10.665 16.563 -2.033 1.00 0.00 N ATOM 816 NH2 ARG A 66 12.648 15.397 -1.872 1.00 0.00 N ATOM 0 H ARG A 66 11.232 18.502 -8.219 1.00 0.00 H new ATOM 0 HA ARG A 66 12.421 16.004 -7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.155 17.628 -5.988 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.075 16.350 -5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.130 17.902 -5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.953 19.165 -5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.328 19.333 -3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.844 18.406 -3.644 1.00 0.00 H new ATOM 0 HE ARG A 66 13.554 17.177 -3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.131 17.348 -2.406 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.216 15.889 -1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.631 15.288 -2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.201 14.722 -1.252 1.00 0.00 H new ATOM 830 N CYS A 67 10.093 16.208 -9.106 1.00 0.00 N ATOM 831 CA CYS A 67 9.030 15.545 -9.802 1.00 0.00 C ATOM 832 C CYS A 67 9.561 14.287 -10.478 1.00 0.00 C ATOM 833 O CYS A 67 10.726 14.225 -10.845 1.00 0.00 O ATOM 834 CB CYS A 67 8.424 16.483 -10.829 1.00 0.00 C ATOM 835 SG CYS A 67 6.839 15.938 -11.452 1.00 0.00 S ATOM 0 H CYS A 67 10.555 16.943 -9.641 1.00 0.00 H new ATOM 0 HA CYS A 67 8.256 15.259 -9.090 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.309 17.471 -10.383 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.116 16.589 -11.664 1.00 0.00 H new ATOM 840 N GLN A 68 8.713 13.287 -10.639 1.00 0.00 N ATOM 841 CA GLN A 68 9.143 12.034 -11.250 1.00 0.00 C ATOM 842 C GLN A 68 8.501 11.835 -12.616 1.00 0.00 C ATOM 843 O GLN A 68 8.733 10.825 -13.278 1.00 0.00 O ATOM 844 CB GLN A 68 8.804 10.853 -10.344 1.00 0.00 C ATOM 845 CG GLN A 68 7.312 10.652 -10.125 1.00 0.00 C ATOM 846 CD GLN A 68 6.888 10.833 -8.679 1.00 0.00 C ATOM 847 OE1 GLN A 68 5.927 10.215 -8.222 1.00 0.00 O ATOM 848 NE2 GLN A 68 7.591 11.682 -7.948 1.00 0.00 N ATOM 0 H GLN A 68 7.732 13.313 -10.360 1.00 0.00 H new ATOM 0 HA GLN A 68 10.224 12.086 -11.382 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.223 9.944 -10.776 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.287 10.999 -9.378 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.762 11.357 -10.749 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.035 9.651 -10.455 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.382 12.177 -8.361 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.342 11.842 -6.972 1.00 0.00 H new ATOM 857 N SER A 69 7.716 12.803 -13.045 1.00 0.00 N ATOM 858 CA SER A 69 7.012 12.695 -14.297 1.00 0.00 C ATOM 859 C SER A 69 7.932 13.061 -15.449 1.00 0.00 C ATOM 860 O SER A 69 7.994 12.361 -16.462 1.00 0.00 O ATOM 861 CB SER A 69 5.795 13.625 -14.284 1.00 0.00 C ATOM 862 OG SER A 69 6.203 14.965 -14.126 1.00 0.00 O ATOM 0 H SER A 69 7.552 13.674 -12.540 1.00 0.00 H new ATOM 0 HA SER A 69 6.678 11.666 -14.430 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.236 13.516 -15.213 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.123 13.344 -13.473 1.00 0.00 H new ATOM 0 HG SER A 69 6.029 15.254 -13.206 1.00 0.00 H new ATOM 868 N CYS A 70 8.660 14.143 -15.274 1.00 0.00 N ATOM 869 CA CYS A 70 9.508 14.665 -16.312 1.00 0.00 C ATOM 870 C CYS A 70 10.982 14.296 -16.114 1.00 0.00 C ATOM 871 O CYS A 70 11.744 14.236 -17.083 1.00 0.00 O ATOM 872 CB CYS A 70 9.337 16.164 -16.367 1.00 0.00 C ATOM 873 SG CYS A 70 9.683 16.988 -14.797 1.00 0.00 S ATOM 0 H CYS A 70 8.677 14.681 -14.408 1.00 0.00 H new ATOM 0 HA CYS A 70 9.207 14.213 -17.257 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.997 16.569 -17.134 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.316 16.394 -16.672 1.00 0.00 H new ATOM 878 N SER A 71 11.384 14.063 -14.868 1.00 0.00 N ATOM 879 CA SER A 71 12.768 13.701 -14.568 1.00 0.00 C ATOM 880 C SER A 71 13.181 12.412 -15.285 1.00 0.00 C ATOM 881 O SER A 71 12.367 11.496 -15.461 1.00 0.00 O ATOM 882 CB SER A 71 12.960 13.564 -13.064 1.00 0.00 C ATOM 883 OG SER A 71 12.685 14.796 -12.414 1.00 0.00 O ATOM 0 H SER A 71 10.775 14.118 -14.052 1.00 0.00 H new ATOM 0 HA SER A 71 13.412 14.500 -14.936 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.301 12.787 -12.677 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.982 13.252 -12.849 1.00 0.00 H new ATOM 0 HG SER A 71 11.900 14.693 -11.836 1.00 0.00 H new ATOM 889 N THR A 72 14.444 12.357 -15.703 1.00 0.00 N ATOM 890 CA THR A 72 14.971 11.215 -16.434 1.00 0.00 C ATOM 891 C THR A 72 15.016 9.955 -15.566 1.00 0.00 C ATOM 892 O THR A 72 14.893 10.015 -14.335 1.00 0.00 O ATOM 893 CB THR A 72 16.375 11.517 -17.027 1.00 0.00 C ATOM 894 OG1 THR A 72 16.785 10.454 -17.901 1.00 0.00 O ATOM 895 CG2 THR A 72 17.410 11.693 -15.924 1.00 0.00 C ATOM 0 H THR A 72 15.124 13.100 -15.544 1.00 0.00 H new ATOM 0 HA THR A 72 14.285 11.027 -17.260 1.00 0.00 H new ATOM 0 HB THR A 72 16.305 12.447 -17.592 1.00 0.00 H new ATOM 0 HG1 THR A 72 17.670 10.657 -18.270 1.00 0.00 H new ATOM 0 HG21 THR A 72 18.383 11.903 -16.368 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.118 12.523 -15.280 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.471 10.779 -15.333 1.00 0.00 H new ATOM 903 N ALA A 73 15.207 8.824 -16.220 1.00 0.00 N ATOM 904 CA ALA A 73 15.187 7.540 -15.567 1.00 0.00 C ATOM 905 C ALA A 73 16.415 7.304 -14.697 1.00 0.00 C ATOM 906 O ALA A 73 17.552 7.297 -15.178 1.00 0.00 O ATOM 907 CB ALA A 73 15.040 6.429 -16.593 1.00 0.00 C ATOM 0 H ALA A 73 15.381 8.776 -17.224 1.00 0.00 H new ATOM 0 HA ALA A 73 14.324 7.534 -14.902 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.026 5.464 -16.085 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.109 6.563 -17.143 1.00 0.00 H new ATOM 0 HB3 ALA A 73 15.879 6.462 -17.287 1.00 0.00 H new ATOM 913 N CYS A 74 16.161 7.141 -13.417 1.00 0.00 N ATOM 914 CA CYS A 74 17.167 6.776 -12.423 1.00 0.00 C ATOM 915 C CYS A 74 17.716 5.386 -12.676 1.00 0.00 C ATOM 916 O CYS A 74 17.463 4.774 -13.714 1.00 0.00 O ATOM 917 CB CYS A 74 16.515 6.772 -11.079 1.00 0.00 C ATOM 918 SG CYS A 74 16.629 8.333 -10.320 1.00 0.00 S ATOM 0 H CYS A 74 15.229 7.260 -13.021 1.00 0.00 H new ATOM 0 HA CYS A 74 17.985 7.494 -12.479 1.00 0.00 H new ATOM 0 HB2 CYS A 74 15.467 6.490 -11.181 1.00 0.00 H new ATOM 0 HB3 CYS A 74 16.987 6.021 -10.445 1.00 0.00 H new ATOM 923 N LYS A 75 18.457 4.887 -11.719 1.00 0.00 N ATOM 924 CA LYS A 75 18.967 3.540 -11.800 1.00 0.00 C ATOM 925 C LYS A 75 18.209 2.622 -10.851 1.00 0.00 C ATOM 926 O LYS A 75 18.641 1.506 -10.586 1.00 0.00 O ATOM 927 CB LYS A 75 20.470 3.491 -11.510 1.00 0.00 C ATOM 928 CG LYS A 75 21.343 4.062 -12.623 1.00 0.00 C ATOM 929 CD LYS A 75 21.146 3.307 -13.937 1.00 0.00 C ATOM 930 CE LYS A 75 20.483 4.198 -14.983 1.00 0.00 C ATOM 931 NZ LYS A 75 20.428 3.555 -16.315 1.00 0.00 N ATOM 0 H LYS A 75 18.721 5.393 -10.874 1.00 0.00 H new ATOM 0 HA LYS A 75 18.814 3.189 -12.821 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.669 4.041 -10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.760 2.456 -11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.104 5.116 -12.769 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.391 4.011 -12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.110 2.958 -14.309 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.532 2.423 -13.765 1.00 0.00 H new ATOM 0 HE2 LYS A 75 19.472 4.444 -14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.032 5.137 -15.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 19.970 4.198 -16.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.393 3.343 -16.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 19.882 2.672 -16.252 1.00 0.00 H new ATOM 945 N CYS A 76 17.073 3.093 -10.340 1.00 0.00 N ATOM 946 CA CYS A 76 16.268 2.270 -9.458 1.00 0.00 C ATOM 947 C CYS A 76 15.401 1.333 -10.294 1.00 0.00 C ATOM 948 O CYS A 76 14.626 1.795 -11.138 1.00 0.00 O ATOM 949 CB CYS A 76 15.354 3.116 -8.542 1.00 0.00 C ATOM 950 SG CYS A 76 16.101 4.594 -7.806 1.00 0.00 S ATOM 0 H CYS A 76 16.699 4.025 -10.521 1.00 0.00 H new ATOM 0 HA CYS A 76 16.950 1.705 -8.822 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.482 3.425 -9.119 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.993 2.478 -7.736 1.00 0.00 H new ATOM 955 N ALA A 77 15.511 0.028 -10.056 1.00 0.00 N ATOM 956 CA ALA A 77 14.749 -0.949 -10.836 1.00 0.00 C ATOM 957 C ALA A 77 14.822 -2.336 -10.228 1.00 0.00 C ATOM 958 O ALA A 77 15.861 -2.734 -9.714 1.00 0.00 O ATOM 959 CB ALA A 77 15.270 -1.000 -12.263 1.00 0.00 C ATOM 0 H ALA A 77 16.113 -0.376 -9.338 1.00 0.00 H new ATOM 0 HA ALA A 77 13.707 -0.628 -10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.696 -1.730 -12.834 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.167 -0.017 -12.723 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.321 -1.290 -12.257 1.00 0.00 H new ATOM 965 N ALA A 78 13.702 -3.061 -10.289 1.00 0.00 N ATOM 966 CA ALA A 78 13.615 -4.446 -9.810 1.00 0.00 C ATOM 967 C ALA A 78 14.128 -4.584 -8.385 1.00 0.00 C ATOM 968 O ALA A 78 15.093 -5.315 -8.121 1.00 0.00 O ATOM 969 CB ALA A 78 14.365 -5.383 -10.748 1.00 0.00 C ATOM 0 H ALA A 78 12.827 -2.704 -10.673 1.00 0.00 H new ATOM 0 HA ALA A 78 12.562 -4.727 -9.804 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.290 -6.405 -10.378 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.929 -5.325 -11.745 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.414 -5.090 -10.793 1.00 0.00 H new ATOM 975 N GLY A 79 13.486 -3.874 -7.471 1.00 0.00 N ATOM 976 CA GLY A 79 13.893 -3.914 -6.084 1.00 0.00 C ATOM 977 C GLY A 79 15.320 -3.443 -5.895 1.00 0.00 C ATOM 978 O GLY A 79 16.114 -4.111 -5.241 1.00 0.00 O ATOM 0 H GLY A 79 12.688 -3.269 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.224 -3.289 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 79 13.795 -4.932 -5.707 1.00 0.00 H new ATOM 982 N SER A 80 15.653 -2.299 -6.476 1.00 0.00 N ATOM 983 CA SER A 80 16.995 -1.785 -6.368 1.00 0.00 C ATOM 984 C SER A 80 17.011 -0.265 -6.298 1.00 0.00 C ATOM 985 O SER A 80 16.962 0.415 -7.316 1.00 0.00 O ATOM 986 CB SER A 80 17.848 -2.249 -7.546 1.00 0.00 C ATOM 987 OG SER A 80 19.233 -2.167 -7.248 1.00 0.00 O ATOM 0 H SER A 80 15.014 -1.720 -7.020 1.00 0.00 H new ATOM 0 HA SER A 80 17.414 -2.177 -5.441 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.590 -3.277 -7.801 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.626 -1.638 -8.421 1.00 0.00 H new ATOM 0 HG SER A 80 19.753 -2.472 -8.021 1.00 0.00 H new ATOM 993 N CYS A 81 17.002 0.242 -5.102 1.00 0.00 N ATOM 994 CA CYS A 81 17.210 1.645 -4.856 1.00 0.00 C ATOM 995 C CYS A 81 18.558 1.791 -4.187 1.00 0.00 C ATOM 996 O CYS A 81 19.073 0.831 -3.607 1.00 0.00 O ATOM 997 CB CYS A 81 16.107 2.230 -3.957 1.00 0.00 C ATOM 998 SG CYS A 81 16.430 3.939 -3.364 1.00 0.00 S ATOM 0 H CYS A 81 16.849 -0.309 -4.258 1.00 0.00 H new ATOM 0 HA CYS A 81 17.177 2.193 -5.798 1.00 0.00 H new ATOM 0 HB2 CYS A 81 15.166 2.222 -4.507 1.00 0.00 H new ATOM 0 HB3 CYS A 81 15.977 1.578 -3.093 1.00 0.00 H new ATOM 1003 N LYS A 82 19.133 2.949 -4.271 1.00 0.00 N ATOM 1004 CA LYS A 82 20.420 3.182 -3.670 1.00 0.00 C ATOM 1005 C LYS A 82 20.381 4.436 -2.815 1.00 0.00 C ATOM 1006 O LYS A 82 21.392 5.109 -2.602 1.00 0.00 O ATOM 1007 CB LYS A 82 21.481 3.250 -4.749 1.00 0.00 C ATOM 1008 CG LYS A 82 21.130 4.152 -5.902 1.00 0.00 C ATOM 1009 CD LYS A 82 21.990 3.839 -7.085 1.00 0.00 C ATOM 1010 CE LYS A 82 21.822 4.849 -8.198 1.00 0.00 C ATOM 1011 NZ LYS A 82 22.869 4.692 -9.240 1.00 0.00 N ATOM 0 H LYS A 82 18.734 3.755 -4.751 1.00 0.00 H new ATOM 0 HA LYS A 82 20.676 2.354 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 82 22.415 3.594 -4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 82 21.661 2.245 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.079 4.027 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.264 5.194 -5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 82 23.035 3.813 -6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.743 2.845 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.837 4.733 -8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 82 21.866 5.857 -7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.724 5.400 -9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.807 4.827 -8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.810 3.738 -9.650 1.00 0.00 H new ATOM 1025 N CYS A 83 19.195 4.726 -2.319 1.00 0.00 N ATOM 1026 CA CYS A 83 18.963 5.860 -1.447 1.00 0.00 C ATOM 1027 C CYS A 83 18.352 5.407 -0.124 1.00 0.00 C ATOM 1028 O CYS A 83 18.727 5.890 0.945 1.00 0.00 O ATOM 1029 CB CYS A 83 18.039 6.869 -2.124 1.00 0.00 C ATOM 1030 SG CYS A 83 17.301 8.062 -0.997 1.00 0.00 S ATOM 0 H CYS A 83 18.358 4.176 -2.512 1.00 0.00 H new ATOM 0 HA CYS A 83 19.923 6.335 -1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 83 18.602 7.406 -2.887 1.00 0.00 H new ATOM 0 HB3 CYS A 83 17.243 6.329 -2.637 1.00 0.00 H new ATOM 1035 N GLY A 84 17.416 4.475 -0.199 1.00 0.00 N ATOM 1036 CA GLY A 84 16.753 4.002 0.998 1.00 0.00 C ATOM 1037 C GLY A 84 15.274 4.317 0.991 1.00 0.00 C ATOM 1038 O GLY A 84 14.574 4.072 1.969 1.00 0.00 O ATOM 0 H GLY A 84 17.103 4.038 -1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.893 2.925 1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.216 4.458 1.873 1.00 0.00 H new ATOM 1042 N LYS A 85 14.798 4.872 -0.113 1.00 0.00 N ATOM 1043 CA LYS A 85 13.388 5.205 -0.251 1.00 0.00 C ATOM 1044 C LYS A 85 12.625 4.056 -0.901 1.00 0.00 C ATOM 1045 O LYS A 85 11.398 3.998 -0.839 1.00 0.00 O ATOM 1046 CB LYS A 85 13.221 6.490 -1.065 1.00 0.00 C ATOM 1047 CG LYS A 85 13.863 7.722 -0.424 1.00 0.00 C ATOM 1048 CD LYS A 85 13.184 8.112 0.890 1.00 0.00 C ATOM 1049 CE LYS A 85 11.747 8.567 0.660 1.00 0.00 C ATOM 1050 NZ LYS A 85 11.057 8.896 1.930 1.00 0.00 N ATOM 0 H LYS A 85 15.368 5.102 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 85 12.974 5.369 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.655 6.340 -2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.158 6.681 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.919 7.525 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.812 8.559 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.193 7.262 1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.748 8.912 1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.744 9.441 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.197 7.782 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.083 9.201 1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.037 8.055 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.566 9.663 2.413 1.00 0.00 H new ATOM 1064 N GLY A 86 13.365 3.143 -1.523 1.00 0.00 N ATOM 1065 CA GLY A 86 12.757 1.985 -2.152 1.00 0.00 C ATOM 1066 C GLY A 86 11.929 2.337 -3.371 1.00 0.00 C ATOM 1067 O GLY A 86 10.901 1.711 -3.625 1.00 0.00 O ATOM 0 H GLY A 86 14.381 3.186 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.539 1.284 -2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.125 1.475 -1.426 1.00 0.00 H new ATOM 1071 N CYS A 87 12.378 3.336 -4.123 1.00 0.00 N ATOM 1072 CA CYS A 87 11.678 3.777 -5.330 1.00 0.00 C ATOM 1073 C CYS A 87 11.538 2.631 -6.318 1.00 0.00 C ATOM 1074 O CYS A 87 10.437 2.304 -6.757 1.00 0.00 O ATOM 1075 CB CYS A 87 12.452 4.911 -5.978 1.00 0.00 C ATOM 1076 SG CYS A 87 13.017 6.147 -4.806 1.00 0.00 S ATOM 0 H CYS A 87 13.229 3.860 -3.918 1.00 0.00 H new ATOM 0 HA CYS A 87 10.682 4.120 -5.050 1.00 0.00 H new ATOM 0 HB2 CYS A 87 13.313 4.499 -6.504 1.00 0.00 H new ATOM 0 HB3 CYS A 87 11.821 5.391 -6.726 1.00 0.00 H new ATOM 1081 N THR A 88 12.682 2.027 -6.659 1.00 0.00 N ATOM 1082 CA THR A 88 12.758 0.882 -7.576 1.00 0.00 C ATOM 1083 C THR A 88 12.063 1.163 -8.911 1.00 0.00 C ATOM 1084 O THR A 88 11.591 0.252 -9.586 1.00 0.00 O ATOM 1085 CB THR A 88 12.188 -0.407 -6.930 1.00 0.00 C ATOM 1086 OG1 THR A 88 10.778 -0.285 -6.680 1.00 0.00 O ATOM 1087 CG2 THR A 88 12.895 -0.686 -5.622 1.00 0.00 C ATOM 0 H THR A 88 13.591 2.322 -6.303 1.00 0.00 H new ATOM 0 HA THR A 88 13.817 0.722 -7.781 1.00 0.00 H new ATOM 0 HB THR A 88 12.352 -1.228 -7.628 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.481 0.618 -6.917 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.488 -1.593 -5.175 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.961 -0.818 -5.806 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.745 0.152 -4.942 1.00 0.00 H new ATOM 1095 N GLY A 89 12.048 2.420 -9.296 1.00 0.00 N ATOM 1096 CA GLY A 89 11.402 2.814 -10.523 1.00 0.00 C ATOM 1097 C GLY A 89 11.102 4.291 -10.531 1.00 0.00 C ATOM 1098 O GLY A 89 10.750 4.850 -9.496 1.00 0.00 O ATOM 0 H GLY A 89 12.477 3.185 -8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.042 2.566 -11.370 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.477 2.252 -10.647 1.00 0.00 H new ATOM 1102 N PRO A 90 11.220 4.950 -11.689 1.00 0.00 N ATOM 1103 CA PRO A 90 11.013 6.398 -11.804 1.00 0.00 C ATOM 1104 C PRO A 90 9.565 6.817 -11.526 1.00 0.00 C ATOM 1105 O PRO A 90 9.319 7.887 -10.990 1.00 0.00 O ATOM 1106 CB PRO A 90 11.393 6.707 -13.258 1.00 0.00 C ATOM 1107 CG PRO A 90 11.248 5.413 -13.979 1.00 0.00 C ATOM 1108 CD PRO A 90 11.564 4.335 -12.981 1.00 0.00 C ATOM 0 HA PRO A 90 11.606 6.944 -11.070 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.741 7.470 -13.682 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.413 7.085 -13.327 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.237 5.297 -14.369 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.926 5.365 -14.831 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.979 3.434 -13.165 1.00 0.00 H new ATOM 0 HD3 PRO A 90 12.614 4.047 -13.021 1.00 0.00 H new ATOM 1116 N ASP A 91 8.615 5.952 -11.866 1.00 0.00 N ATOM 1117 CA ASP A 91 7.191 6.260 -11.679 1.00 0.00 C ATOM 1118 C ASP A 91 6.809 6.226 -10.203 1.00 0.00 C ATOM 1119 O ASP A 91 5.750 6.707 -9.812 1.00 0.00 O ATOM 1120 CB ASP A 91 6.313 5.280 -12.464 1.00 0.00 C ATOM 1121 CG ASP A 91 6.620 5.270 -13.944 1.00 0.00 C ATOM 1122 OD1 ASP A 91 7.434 4.424 -14.377 1.00 0.00 O ATOM 1123 OD2 ASP A 91 6.050 6.097 -14.686 1.00 0.00 O ATOM 0 H ASP A 91 8.798 5.034 -12.271 1.00 0.00 H new ATOM 0 HA ASP A 91 7.022 7.268 -12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.450 4.276 -12.063 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.265 5.541 -12.317 1.00 0.00 H new ATOM 1128 N SER A 92 7.674 5.650 -9.392 1.00 0.00 N ATOM 1129 CA SER A 92 7.448 5.562 -7.963 1.00 0.00 C ATOM 1130 C SER A 92 8.600 6.218 -7.217 1.00 0.00 C ATOM 1131 O SER A 92 8.804 5.993 -6.023 1.00 0.00 O ATOM 1132 CB SER A 92 7.302 4.099 -7.553 1.00 0.00 C ATOM 1133 OG SER A 92 6.252 3.482 -8.287 1.00 0.00 O ATOM 0 H SER A 92 8.550 5.231 -9.703 1.00 0.00 H new ATOM 0 HA SER A 92 6.528 6.087 -7.708 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.238 3.570 -7.730 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.096 4.033 -6.485 1.00 0.00 H new ATOM 0 HG SER A 92 6.170 2.544 -8.015 1.00 0.00 H new ATOM 1139 N CYS A 93 9.330 7.045 -7.932 1.00 0.00 N ATOM 1140 CA CYS A 93 10.476 7.724 -7.391 1.00 0.00 C ATOM 1141 C CYS A 93 10.055 9.076 -6.812 1.00 0.00 C ATOM 1142 O CYS A 93 9.853 10.036 -7.540 1.00 0.00 O ATOM 1143 CB CYS A 93 11.522 7.897 -8.492 1.00 0.00 C ATOM 1144 SG CYS A 93 13.176 8.198 -7.900 1.00 0.00 S ATOM 0 H CYS A 93 9.140 7.263 -8.910 1.00 0.00 H new ATOM 0 HA CYS A 93 10.912 7.135 -6.584 1.00 0.00 H new ATOM 0 HB2 CYS A 93 11.529 7.001 -9.113 1.00 0.00 H new ATOM 0 HB3 CYS A 93 11.223 8.726 -9.133 1.00 0.00 H new ATOM 1149 N LYS A 94 9.913 9.129 -5.498 1.00 0.00 N ATOM 1150 CA LYS A 94 9.459 10.338 -4.802 1.00 0.00 C ATOM 1151 C LYS A 94 10.653 11.230 -4.420 1.00 0.00 C ATOM 1152 O LYS A 94 10.598 11.961 -3.425 1.00 0.00 O ATOM 1153 CB LYS A 94 8.691 9.939 -3.518 1.00 0.00 C ATOM 1154 CG LYS A 94 7.470 9.032 -3.740 1.00 0.00 C ATOM 1155 CD LYS A 94 6.236 9.817 -4.184 1.00 0.00 C ATOM 1156 CE LYS A 94 5.055 8.900 -4.439 1.00 0.00 C ATOM 1157 NZ LYS A 94 4.571 8.255 -3.194 1.00 0.00 N ATOM 0 H LYS A 94 10.107 8.342 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 94 8.804 10.896 -5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.382 9.433 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.362 10.848 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.710 8.281 -4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.245 8.497 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.973 10.546 -3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.466 10.376 -5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.244 9.471 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.341 8.132 -5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.676 7.760 -3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.280 7.572 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.417 8.980 -2.465 1.00 0.00 H new ATOM 1171 N CYS A 95 11.712 11.190 -5.216 1.00 0.00 N ATOM 1172 CA CYS A 95 12.929 11.933 -4.895 1.00 0.00 C ATOM 1173 C CYS A 95 13.325 12.953 -5.984 1.00 0.00 C ATOM 1174 O CYS A 95 12.725 13.006 -7.061 1.00 0.00 O ATOM 1175 CB CYS A 95 14.071 10.953 -4.634 1.00 0.00 C ATOM 1176 SG CYS A 95 13.717 9.764 -3.310 1.00 0.00 S ATOM 0 H CYS A 95 11.757 10.656 -6.084 1.00 0.00 H new ATOM 0 HA CYS A 95 12.725 12.516 -3.997 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.288 10.408 -5.552 1.00 0.00 H new ATOM 0 HB3 CYS A 95 14.969 11.514 -4.377 1.00 0.00 H new ATOM 1181 N ASP A 96 14.332 13.779 -5.652 1.00 0.00 N ATOM 1182 CA ASP A 96 14.872 14.820 -6.535 1.00 0.00 C ATOM 1183 C ASP A 96 15.747 14.224 -7.636 1.00 0.00 C ATOM 1184 O ASP A 96 15.722 13.025 -7.896 1.00 0.00 O ATOM 1185 CB ASP A 96 15.758 15.780 -5.722 1.00 0.00 C ATOM 1186 CG ASP A 96 15.155 16.239 -4.413 1.00 0.00 C ATOM 1187 OD1 ASP A 96 14.952 15.393 -3.502 1.00 0.00 O ATOM 1188 OD2 ASP A 96 14.904 17.440 -4.271 1.00 0.00 O ATOM 0 H ASP A 96 14.800 13.739 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 96 14.022 15.337 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.709 15.289 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 96 15.977 16.656 -6.333 1.00 0.00 H new ATOM 1193 N ARG A 97 16.512 15.100 -8.295 1.00 0.00 N ATOM 1194 CA ARG A 97 17.498 14.683 -9.287 1.00 0.00 C ATOM 1195 C ARG A 97 18.890 14.902 -8.720 1.00 0.00 C ATOM 1196 O ARG A 97 19.901 14.698 -9.394 1.00 0.00 O ATOM 1197 CB ARG A 97 17.376 15.491 -10.562 1.00 0.00 C ATOM 1198 CG ARG A 97 15.974 15.680 -11.064 1.00 0.00 C ATOM 1199 CD ARG A 97 16.003 16.350 -12.417 1.00 0.00 C ATOM 1200 NE ARG A 97 14.664 16.570 -12.974 1.00 0.00 N ATOM 1201 CZ ARG A 97 14.415 17.282 -14.083 1.00 0.00 C ATOM 1202 NH1 ARG A 97 15.425 17.827 -14.773 1.00 0.00 N ATOM 1203 NH2 ARG A 97 13.158 17.446 -14.500 1.00 0.00 N ATOM 0 H ARG A 97 16.463 16.109 -8.155 1.00 0.00 H new ATOM 0 HA ARG A 97 17.323 13.632 -9.517 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.821 16.472 -10.396 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.962 15.003 -11.341 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.470 14.716 -11.136 1.00 0.00 H new ATOM 0 HG3 ARG A 97 15.404 16.286 -10.360 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.517 17.307 -12.332 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.582 15.737 -13.108 1.00 0.00 H new ATOM 0 HE ARG A 97 13.871 16.154 -12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 97 16.386 17.701 -14.455 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.233 18.368 -15.616 1.00 0.00 H new ATOM 0 HH21 ARG A 97 12.388 17.030 -13.976 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.967 17.987 -15.343 1.00 0.00 H new ATOM 1217 N SER A 98 18.921 15.346 -7.492 1.00 0.00 N ATOM 1218 CA SER A 98 20.146 15.625 -6.789 1.00 0.00 C ATOM 1219 C SER A 98 20.131 14.899 -5.447 1.00 0.00 C ATOM 1220 O SER A 98 20.588 15.421 -4.429 1.00 0.00 O ATOM 1221 CB SER A 98 20.267 17.144 -6.595 1.00 0.00 C ATOM 1222 OG SER A 98 19.071 17.689 -6.046 1.00 0.00 O ATOM 0 H SER A 98 18.081 15.527 -6.942 1.00 0.00 H new ATOM 0 HA SER A 98 21.006 15.274 -7.358 1.00 0.00 H new ATOM 0 HB2 SER A 98 21.106 17.363 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 98 20.481 17.620 -7.552 1.00 0.00 H new ATOM 0 HG SER A 98 19.008 18.639 -6.278 1.00 0.00 H new ATOM 1228 N CYS A 99 19.631 13.672 -5.470 1.00 0.00 N ATOM 1229 CA CYS A 99 19.444 12.895 -4.257 1.00 0.00 C ATOM 1230 C CYS A 99 20.520 11.810 -4.130 1.00 0.00 C ATOM 1231 O CYS A 99 21.452 11.758 -4.933 1.00 0.00 O ATOM 1232 CB CYS A 99 18.039 12.278 -4.262 1.00 0.00 C ATOM 1233 SG CYS A 99 17.321 12.027 -2.628 1.00 0.00 S ATOM 0 H CYS A 99 19.346 13.192 -6.323 1.00 0.00 H new ATOM 0 HA CYS A 99 19.541 13.552 -3.393 1.00 0.00 H new ATOM 0 HB2 CYS A 99 17.376 12.922 -4.840 1.00 0.00 H new ATOM 0 HB3 CYS A 99 18.080 11.318 -4.777 1.00 0.00 H new ATOM 1238 N SER A 100 20.388 10.946 -3.118 1.00 0.00 N ATOM 1239 CA SER A 100 21.374 9.894 -2.871 1.00 0.00 C ATOM 1240 C SER A 100 21.351 8.842 -3.971 1.00 0.00 C ATOM 1241 O SER A 100 22.394 8.321 -4.373 1.00 0.00 O ATOM 1242 CB SER A 100 21.144 9.255 -1.503 1.00 0.00 C ATOM 1243 OG SER A 100 21.197 10.232 -0.477 1.00 0.00 O ATOM 0 H SER A 100 19.609 10.956 -2.459 1.00 0.00 H new ATOM 0 HA SER A 100 22.362 10.353 -2.876 1.00 0.00 H new ATOM 0 HB2 SER A 100 20.175 8.757 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.899 8.490 -1.322 1.00 0.00 H new ATOM 0 HG SER A 100 21.046 9.803 0.391 1.00 0.00 H new ATOM 1249 N CYS A 101 20.167 8.530 -4.449 1.00 0.00 N ATOM 1250 CA CYS A 101 20.015 7.609 -5.548 1.00 0.00 C ATOM 1251 C CYS A 101 20.253 8.384 -6.800 1.00 0.00 C ATOM 1252 O CYS A 101 21.075 8.032 -7.656 1.00 0.00 O ATOM 1253 CB CYS A 101 18.587 7.068 -5.559 1.00 0.00 C ATOM 1254 SG CYS A 101 17.322 8.380 -5.563 1.00 0.00 S ATOM 0 H CYS A 101 19.290 8.905 -4.089 1.00 0.00 H new ATOM 0 HA CYS A 101 20.711 6.774 -5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 101 18.451 6.438 -6.438 1.00 0.00 H new ATOM 0 HB3 CYS A 101 18.439 6.433 -4.686 1.00 0.00 H new ATOM 1259 N LYS A 102 19.513 9.447 -6.850 1.00 0.00 N ATOM 1260 CA LYS A 102 19.488 10.403 -7.829 1.00 0.00 C ATOM 1261 C LYS A 102 18.259 11.259 -7.637 1.00 0.00 C ATOM 1262 O LYS A 102 18.431 12.420 -7.278 1.00 0.00 O ATOM 1263 CB LYS A 102 19.495 9.873 -9.188 1.00 0.00 C ATOM 1264 CG LYS A 102 19.532 11.024 -10.100 1.00 0.00 C ATOM 1265 CD LYS A 102 18.174 11.346 -10.612 1.00 0.00 C ATOM 1266 CE LYS A 102 17.918 10.663 -11.942 1.00 0.00 C ATOM 1267 NZ LYS A 102 18.940 11.025 -12.956 1.00 0.00 N ATOM 0 H LYS A 102 18.849 9.657 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 102 20.408 10.979 -7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 102 20.360 9.229 -9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.608 9.266 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 102 19.943 11.890 -9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 102 20.197 10.808 -10.936 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.424 11.030 -9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 102 18.072 12.425 -10.728 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.914 9.582 -11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.929 10.940 -12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.493 11.571 -13.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 19.684 11.599 -12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.360 10.159 -13.350 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 15.806 7.472 -8.033 1.00 0.00 CD HETATM 1283 CD CD A 202 15.727 5.684 -5.241 1.00 0.00 CD HETATM 1284 CD CD A 203 16.410 9.546 -3.126 1.00 0.00 CD HETATM 1285 CD CD A 204 7.304 17.659 -13.494 1.00 0.00 CD HETATM 1286 CD CD A 205 10.074 20.466 -12.137 1.00 0.00 CD HETATM 1287 CD CD A 206 10.396 19.194 -16.057 1.00 0.00 CD HETATM 1288 CD CD A 207 8.212 24.895 3.192 1.00 0.00 CD HETATM 1289 CD CD A 208 6.470 26.972 0.605 1.00 0.00 CD HETATM 1290 CD CD A 209 7.603 23.180 -0.553 1.00 0.00 CD