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 -122:sc= 0.585 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 60 ASN : amide:sc= 0.231 X(o=0.82,f=0.75) USER MOD Single : A 1 GLY N :NH3+ -178:sc= -0.136 (180deg=-0.138) USER MOD Single : A 2 SER OG : rot 180:sc= 0.042 USER MOD Single : A 3 MET CE :methyl -164:sc= -0.0727 (180deg=-0.42) USER MOD Single : A 4 SER OG : rot 180:sc=-0.00186 USER MOD Single : A 5 SER OG : rot 48:sc= 0.108 USER MOD Single : A 12 THR OG1 : rot -110:sc= -1.51! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.95! K(o=-3!,f=-2.4) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0892 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= -0.0352 X(o=-0.035,f=-0.035) USER MOD Single : A 30 THR OG1 : rot 133:sc= 1.2 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.025) USER MOD Single : A 37 SER OG : rot -44:sc= 0.798 USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= 0.434 (180deg=-0.11) 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=-0.00365 K(o=-0.0036,f=-0.62) 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 : amide:sc= -2.88! K(o=-2.9!,f=-0.94) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 142:sc= 1.17 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -37:sc= 0.0896 USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.0423 (180deg=-0.214) USER MOD Single : A 85 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.09) USER MOD Single : A 88 THR OG1 : rot 8:sc= 0.96 USER MOD Single : A 92 SER OG : rot 18:sc= 0.222 USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -0.15 (180deg=-0.553) USER MOD Single : A 98 SER OG : rot 180:sc=-0.00782 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -139:sc= 1.26 (180deg=0.438) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.427 18.764 -2.598 1.00 0.00 N ATOM 2 CA GLY A 1 24.714 17.501 -2.250 1.00 0.00 C ATOM 3 C GLY A 1 24.805 17.181 -0.769 1.00 0.00 C ATOM 4 O GLY A 1 24.350 16.120 -0.319 1.00 0.00 O ATOM 0 H1 GLY A 1 25.310 18.961 -3.612 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.030 19.550 -2.045 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.439 18.663 -2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.666 17.586 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.137 16.677 -2.825 1.00 0.00 H new ATOM 7 N SER A 2 25.384 18.097 -0.012 1.00 0.00 N ATOM 8 CA SER A 2 25.550 17.921 1.416 1.00 0.00 C ATOM 9 C SER A 2 24.256 18.231 2.168 1.00 0.00 C ATOM 10 O SER A 2 23.386 18.953 1.665 1.00 0.00 O ATOM 11 CB SER A 2 26.696 18.803 1.915 1.00 0.00 C ATOM 12 OG SER A 2 26.648 20.098 1.321 1.00 0.00 O ATOM 0 H SER A 2 25.750 18.979 -0.370 1.00 0.00 H new ATOM 0 HA SER A 2 25.796 16.877 1.610 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.641 18.896 3.000 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.650 18.329 1.684 1.00 0.00 H new ATOM 0 HG SER A 2 27.391 20.641 1.659 1.00 0.00 H new ATOM 18 N MET A 3 24.125 17.672 3.362 1.00 0.00 N ATOM 19 CA MET A 3 22.945 17.889 4.181 1.00 0.00 C ATOM 20 C MET A 3 23.012 19.237 4.877 1.00 0.00 C ATOM 21 O MET A 3 23.987 19.550 5.563 1.00 0.00 O ATOM 22 CB MET A 3 22.782 16.768 5.212 1.00 0.00 C ATOM 23 CG MET A 3 22.498 15.403 4.600 1.00 0.00 C ATOM 24 SD MET A 3 20.966 15.369 3.637 1.00 0.00 S ATOM 25 CE MET A 3 19.749 15.673 4.921 1.00 0.00 C ATOM 0 H MET A 3 24.825 17.063 3.785 1.00 0.00 H new ATOM 0 HA MET A 3 22.076 17.882 3.523 1.00 0.00 H new ATOM 0 HB2 MET A 3 23.690 16.705 5.812 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.969 17.027 5.891 1.00 0.00 H new ATOM 0 HG2 MET A 3 23.331 15.118 3.958 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.439 14.659 5.395 1.00 0.00 H new ATOM 0 HE1 MET A 3 18.758 15.404 4.554 1.00 0.00 H new ATOM 0 HE2 MET A 3 19.987 15.071 5.798 1.00 0.00 H new ATOM 0 HE3 MET A 3 19.762 16.729 5.192 1.00 0.00 H new ATOM 35 N SER A 4 21.992 20.039 4.677 1.00 0.00 N ATOM 36 CA SER A 4 21.908 21.351 5.285 1.00 0.00 C ATOM 37 C SER A 4 20.452 21.697 5.551 1.00 0.00 C ATOM 38 O SER A 4 19.547 20.987 5.097 1.00 0.00 O ATOM 39 CB SER A 4 22.542 22.404 4.370 1.00 0.00 C ATOM 40 OG SER A 4 23.902 22.094 4.096 1.00 0.00 O ATOM 0 H SER A 4 21.194 19.802 4.087 1.00 0.00 H new ATOM 0 HA SER A 4 22.453 21.341 6.229 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.984 22.461 3.436 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.477 23.385 4.841 1.00 0.00 H new ATOM 0 HG SER A 4 24.282 22.781 3.509 1.00 0.00 H new ATOM 46 N SER A 5 20.220 22.769 6.284 1.00 0.00 N ATOM 47 CA SER A 5 18.875 23.193 6.587 1.00 0.00 C ATOM 48 C SER A 5 18.213 23.834 5.372 1.00 0.00 C ATOM 49 O SER A 5 18.390 25.022 5.105 1.00 0.00 O ATOM 50 CB SER A 5 18.876 24.148 7.783 1.00 0.00 C ATOM 51 OG SER A 5 19.872 25.152 7.638 1.00 0.00 O ATOM 0 H SER A 5 20.951 23.361 6.680 1.00 0.00 H new ATOM 0 HA SER A 5 18.289 22.312 6.851 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.896 24.615 7.879 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.053 23.586 8.700 1.00 0.00 H new ATOM 0 HG SER A 5 19.815 25.542 6.741 1.00 0.00 H new ATOM 57 N VAL A 6 17.483 23.027 4.620 1.00 0.00 N ATOM 58 CA VAL A 6 16.774 23.508 3.446 1.00 0.00 C ATOM 59 C VAL A 6 15.559 24.335 3.868 1.00 0.00 C ATOM 60 O VAL A 6 15.108 25.222 3.146 1.00 0.00 O ATOM 61 CB VAL A 6 16.339 22.330 2.530 1.00 0.00 C ATOM 62 CG1 VAL A 6 15.337 21.419 3.231 1.00 0.00 C ATOM 63 CG2 VAL A 6 15.782 22.842 1.208 1.00 0.00 C ATOM 0 H VAL A 6 17.366 22.030 4.803 1.00 0.00 H new ATOM 0 HA VAL A 6 17.452 24.142 2.874 1.00 0.00 H new ATOM 0 HB VAL A 6 17.227 21.736 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.054 20.606 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.789 21.006 4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.450 21.993 3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.485 21.997 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.915 23.474 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.547 23.422 0.691 1.00 0.00 H new ATOM 73 N PHE A 7 15.056 24.046 5.059 1.00 0.00 N ATOM 74 CA PHE A 7 13.927 24.764 5.610 1.00 0.00 C ATOM 75 C PHE A 7 14.357 26.159 6.059 1.00 0.00 C ATOM 76 O PHE A 7 15.553 26.440 6.200 1.00 0.00 O ATOM 77 CB PHE A 7 13.309 23.981 6.788 1.00 0.00 C ATOM 78 CG PHE A 7 14.295 23.614 7.869 1.00 0.00 C ATOM 79 CD1 PHE A 7 14.588 24.502 8.892 1.00 0.00 C ATOM 80 CD2 PHE A 7 14.925 22.378 7.860 1.00 0.00 C ATOM 81 CE1 PHE A 7 15.488 24.165 9.881 1.00 0.00 C ATOM 82 CE2 PHE A 7 15.826 22.038 8.848 1.00 0.00 C ATOM 83 CZ PHE A 7 16.108 22.933 9.860 1.00 0.00 C ATOM 0 H PHE A 7 15.420 23.310 5.664 1.00 0.00 H new ATOM 0 HA PHE A 7 13.168 24.867 4.834 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.510 24.578 7.228 1.00 0.00 H new ATOM 0 HB3 PHE A 7 12.851 23.069 6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 7 14.106 25.468 8.915 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.708 21.674 7.071 1.00 0.00 H new ATOM 0 HE1 PHE A 7 15.708 24.866 10.673 1.00 0.00 H new ATOM 0 HE2 PHE A 7 16.310 21.073 8.829 1.00 0.00 H new ATOM 0 HZ PHE A 7 16.813 22.669 10.634 1.00 0.00 H new ATOM 93 N GLY A 8 13.391 27.018 6.278 1.00 0.00 N ATOM 94 CA GLY A 8 13.678 28.365 6.700 1.00 0.00 C ATOM 95 C GLY A 8 13.894 28.465 8.185 1.00 0.00 C ATOM 96 O GLY A 8 15.032 28.552 8.655 1.00 0.00 O ATOM 0 H GLY A 8 12.399 26.807 6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.567 28.724 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.854 29.017 6.410 1.00 0.00 H new ATOM 100 N ALA A 9 12.803 28.445 8.918 1.00 0.00 N ATOM 101 CA ALA A 9 12.823 28.545 10.364 1.00 0.00 C ATOM 102 C ALA A 9 11.459 28.186 10.901 1.00 0.00 C ATOM 103 O ALA A 9 11.312 27.277 11.714 1.00 0.00 O ATOM 104 CB ALA A 9 13.205 29.956 10.792 1.00 0.00 C ATOM 0 H ALA A 9 11.866 28.358 8.525 1.00 0.00 H new ATOM 0 HA ALA A 9 13.565 27.855 10.766 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.216 30.016 11.880 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.195 30.198 10.405 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.478 30.665 10.397 1.00 0.00 H new ATOM 110 N GLY A 10 10.456 28.898 10.422 1.00 0.00 N ATOM 111 CA GLY A 10 9.104 28.630 10.826 1.00 0.00 C ATOM 112 C GLY A 10 8.338 27.881 9.762 1.00 0.00 C ATOM 113 O GLY A 10 7.223 28.267 9.402 1.00 0.00 O ATOM 0 H GLY A 10 10.560 29.663 9.755 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.109 28.048 11.748 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.597 29.570 11.045 1.00 0.00 H new ATOM 117 N CYS A 11 8.938 26.820 9.241 1.00 0.00 N ATOM 118 CA CYS A 11 8.291 26.011 8.225 1.00 0.00 C ATOM 119 C CYS A 11 7.268 25.102 8.866 1.00 0.00 C ATOM 120 O CYS A 11 7.419 24.698 10.022 1.00 0.00 O ATOM 121 CB CYS A 11 9.314 25.185 7.454 1.00 0.00 C ATOM 122 SG CYS A 11 10.602 26.167 6.667 1.00 0.00 S ATOM 0 H CYS A 11 9.870 26.502 9.506 1.00 0.00 H new ATOM 0 HA CYS A 11 7.791 26.677 7.522 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.779 24.473 8.136 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.796 24.604 6.691 1.00 0.00 H new ATOM 127 N THR A 12 6.241 24.779 8.132 1.00 0.00 N ATOM 128 CA THR A 12 5.194 23.947 8.648 1.00 0.00 C ATOM 129 C THR A 12 5.484 22.473 8.390 1.00 0.00 C ATOM 130 O THR A 12 6.409 22.131 7.642 1.00 0.00 O ATOM 131 CB THR A 12 3.847 24.334 8.034 1.00 0.00 C ATOM 132 OG1 THR A 12 3.990 24.458 6.612 1.00 0.00 O ATOM 133 CG2 THR A 12 3.363 25.654 8.609 1.00 0.00 C ATOM 0 H THR A 12 6.107 25.082 7.167 1.00 0.00 H new ATOM 0 HA THR A 12 5.147 24.102 9.726 1.00 0.00 H new ATOM 0 HB THR A 12 3.117 23.559 8.267 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.914 25.401 6.357 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.404 25.916 8.162 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.247 25.560 9.689 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.091 26.435 8.389 1.00 0.00 H new ATOM 141 N ASP A 13 4.700 21.605 9.012 1.00 0.00 N ATOM 142 CA ASP A 13 4.861 20.162 8.846 1.00 0.00 C ATOM 143 C ASP A 13 4.622 19.760 7.403 1.00 0.00 C ATOM 144 O ASP A 13 5.170 18.768 6.924 1.00 0.00 O ATOM 145 CB ASP A 13 3.898 19.391 9.762 1.00 0.00 C ATOM 146 CG ASP A 13 2.435 19.582 9.396 1.00 0.00 C ATOM 147 OD1 ASP A 13 1.781 20.470 9.991 1.00 0.00 O ATOM 148 OD2 ASP A 13 1.932 18.851 8.519 1.00 0.00 O ATOM 0 H ASP A 13 3.942 21.873 9.640 1.00 0.00 H new ATOM 0 HA ASP A 13 5.885 19.910 9.122 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.140 18.329 9.720 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.052 19.712 10.792 1.00 0.00 H new ATOM 153 N VAL A 14 3.824 20.550 6.709 1.00 0.00 N ATOM 154 CA VAL A 14 3.490 20.269 5.336 1.00 0.00 C ATOM 155 C VAL A 14 4.683 20.567 4.402 1.00 0.00 C ATOM 156 O VAL A 14 4.748 20.055 3.281 1.00 0.00 O ATOM 157 CB VAL A 14 2.209 21.041 4.903 1.00 0.00 C ATOM 158 CG1 VAL A 14 2.444 22.530 4.829 1.00 0.00 C ATOM 159 CG2 VAL A 14 1.658 20.511 3.598 1.00 0.00 C ATOM 0 H VAL A 14 3.395 21.397 7.083 1.00 0.00 H new ATOM 0 HA VAL A 14 3.271 19.205 5.252 1.00 0.00 H new ATOM 0 HB VAL A 14 1.460 20.870 5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.524 23.029 4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.749 22.899 5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.229 22.739 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.764 21.072 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.408 20.621 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.404 19.457 3.712 1.00 0.00 H new ATOM 169 N CYS A 15 5.647 21.355 4.894 1.00 0.00 N ATOM 170 CA CYS A 15 6.854 21.665 4.119 1.00 0.00 C ATOM 171 C CYS A 15 7.851 20.516 4.235 1.00 0.00 C ATOM 172 O CYS A 15 8.528 20.157 3.275 1.00 0.00 O ATOM 173 CB CYS A 15 7.501 22.971 4.617 1.00 0.00 C ATOM 174 SG CYS A 15 9.071 23.401 3.805 1.00 0.00 S ATOM 0 H CYS A 15 5.615 21.786 5.818 1.00 0.00 H new ATOM 0 HA CYS A 15 6.571 21.796 3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.796 23.789 4.469 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.674 22.889 5.690 1.00 0.00 H new ATOM 179 N LYS A 16 7.902 19.916 5.419 1.00 0.00 N ATOM 180 CA LYS A 16 8.827 18.817 5.698 1.00 0.00 C ATOM 181 C LYS A 16 8.291 17.509 5.157 1.00 0.00 C ATOM 182 O LYS A 16 8.911 16.458 5.313 1.00 0.00 O ATOM 183 CB LYS A 16 9.067 18.716 7.195 1.00 0.00 C ATOM 184 CG LYS A 16 9.544 20.017 7.780 1.00 0.00 C ATOM 185 CD LYS A 16 9.437 20.046 9.284 1.00 0.00 C ATOM 186 CE LYS A 16 9.275 21.483 9.739 1.00 0.00 C ATOM 187 NZ LYS A 16 9.217 21.611 11.216 1.00 0.00 N ATOM 0 H LYS A 16 7.310 20.173 6.209 1.00 0.00 H new ATOM 0 HA LYS A 16 9.774 19.022 5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.144 18.413 7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.805 17.938 7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.581 20.184 7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.960 20.836 7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.586 19.449 9.613 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.328 19.607 9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.107 22.076 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.364 21.897 9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.106 22.612 11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.408 21.068 11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.096 21.242 11.631 1.00 0.00 H new ATOM 201 N GLN A 17 7.130 17.582 4.533 1.00 0.00 N ATOM 202 CA GLN A 17 6.520 16.419 3.909 1.00 0.00 C ATOM 203 C GLN A 17 7.341 15.949 2.714 1.00 0.00 C ATOM 204 O GLN A 17 8.302 16.601 2.301 1.00 0.00 O ATOM 205 CB GLN A 17 5.088 16.719 3.464 1.00 0.00 C ATOM 206 CG GLN A 17 4.068 16.706 4.587 1.00 0.00 C ATOM 207 CD GLN A 17 2.652 16.916 4.082 1.00 0.00 C ATOM 208 OE1 GLN A 17 2.326 16.563 2.944 1.00 0.00 O ATOM 209 NE2 GLN A 17 1.798 17.464 4.922 1.00 0.00 N ATOM 0 H GLN A 17 6.586 18.440 4.444 1.00 0.00 H new ATOM 0 HA GLN A 17 6.495 15.625 4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.067 17.696 2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.793 15.987 2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.125 15.755 5.116 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.314 17.486 5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.106 17.742 5.854 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.828 17.610 4.641 1.00 0.00 H new ATOM 218 N THR A 18 6.951 14.834 2.157 1.00 0.00 N ATOM 219 CA THR A 18 7.642 14.255 1.022 1.00 0.00 C ATOM 220 C THR A 18 6.661 13.430 0.187 1.00 0.00 C ATOM 221 O THR A 18 6.244 12.354 0.603 1.00 0.00 O ATOM 222 CB THR A 18 8.818 13.356 1.471 1.00 0.00 C ATOM 223 OG1 THR A 18 9.668 14.075 2.378 1.00 0.00 O ATOM 224 CG2 THR A 18 9.637 12.905 0.269 1.00 0.00 C ATOM 0 H THR A 18 6.144 14.296 2.473 1.00 0.00 H new ATOM 0 HA THR A 18 8.047 15.072 0.425 1.00 0.00 H new ATOM 0 HB THR A 18 8.406 12.479 1.971 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.409 13.498 2.659 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.459 12.274 0.605 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.001 12.340 -0.413 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.037 13.778 -0.247 1.00 0.00 H new ATOM 232 N PRO A 19 6.271 13.924 -1.004 1.00 0.00 N ATOM 233 CA PRO A 19 6.777 15.188 -1.555 1.00 0.00 C ATOM 234 C PRO A 19 6.269 16.375 -0.770 1.00 0.00 C ATOM 235 O PRO A 19 5.328 16.240 0.023 1.00 0.00 O ATOM 236 CB PRO A 19 6.212 15.211 -2.975 1.00 0.00 C ATOM 237 CG PRO A 19 4.988 14.367 -2.910 1.00 0.00 C ATOM 238 CD PRO A 19 5.265 13.306 -1.880 1.00 0.00 C ATOM 0 HA PRO A 19 7.865 15.250 -1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.976 16.227 -3.290 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.929 14.813 -3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.119 14.963 -2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.771 13.921 -3.880 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.364 13.039 -1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.641 12.391 -2.339 1.00 0.00 H new ATOM 246 N CYS A 20 6.886 17.522 -0.978 1.00 0.00 N ATOM 247 CA CYS A 20 6.505 18.719 -0.272 1.00 0.00 C ATOM 248 C CYS A 20 5.019 18.982 -0.459 1.00 0.00 C ATOM 249 O CYS A 20 4.538 19.177 -1.585 1.00 0.00 O ATOM 250 CB CYS A 20 7.324 19.900 -0.742 1.00 0.00 C ATOM 251 SG CYS A 20 7.159 21.339 0.310 1.00 0.00 S ATOM 0 H CYS A 20 7.657 17.645 -1.635 1.00 0.00 H new ATOM 0 HA CYS A 20 6.702 18.577 0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 20 8.374 19.610 -0.788 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.021 20.163 -1.756 1.00 0.00 H new ATOM 256 N GLY A 21 4.300 18.985 0.642 1.00 0.00 N ATOM 257 CA GLY A 21 2.874 19.088 0.592 1.00 0.00 C ATOM 258 C GLY A 21 2.371 20.495 0.358 1.00 0.00 C ATOM 259 O GLY A 21 1.210 20.682 0.024 1.00 0.00 O ATOM 0 H GLY A 21 4.690 18.917 1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.500 18.442 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.459 18.715 1.528 1.00 0.00 H new ATOM 263 N CYS A 22 3.232 21.489 0.508 1.00 0.00 N ATOM 264 CA CYS A 22 2.811 22.886 0.319 1.00 0.00 C ATOM 265 C CYS A 22 2.348 23.149 -1.115 1.00 0.00 C ATOM 266 O CYS A 22 1.595 24.085 -1.372 1.00 0.00 O ATOM 267 CB CYS A 22 3.935 23.853 0.671 1.00 0.00 C ATOM 268 SG CYS A 22 4.355 23.934 2.421 1.00 0.00 S ATOM 0 H CYS A 22 4.214 21.368 0.756 1.00 0.00 H new ATOM 0 HA CYS A 22 1.971 23.053 0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.827 23.568 0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.653 24.851 0.334 1.00 0.00 H new ATOM 273 N ALA A 23 2.778 22.308 -2.038 1.00 0.00 N ATOM 274 CA ALA A 23 2.435 22.486 -3.439 1.00 0.00 C ATOM 275 C ALA A 23 1.127 21.791 -3.801 1.00 0.00 C ATOM 276 O ALA A 23 0.673 21.868 -4.940 1.00 0.00 O ATOM 277 CB ALA A 23 3.560 21.991 -4.321 1.00 0.00 C ATOM 0 H ALA A 23 3.364 21.496 -1.844 1.00 0.00 H new ATOM 0 HA ALA A 23 2.291 23.553 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.290 22.130 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.468 22.553 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.734 20.932 -4.129 1.00 0.00 H new ATOM 283 N THR A 24 0.534 21.108 -2.844 1.00 0.00 N ATOM 284 CA THR A 24 -0.728 20.431 -3.078 1.00 0.00 C ATOM 285 C THR A 24 -1.752 20.786 -1.988 1.00 0.00 C ATOM 286 O THR A 24 -2.959 20.780 -2.226 1.00 0.00 O ATOM 287 CB THR A 24 -0.539 18.886 -3.174 1.00 0.00 C ATOM 288 OG1 THR A 24 -1.784 18.246 -3.466 1.00 0.00 O ATOM 289 CG2 THR A 24 0.036 18.313 -1.887 1.00 0.00 C ATOM 0 H THR A 24 0.903 21.006 -1.899 1.00 0.00 H new ATOM 0 HA THR A 24 -1.113 20.779 -4.037 1.00 0.00 H new ATOM 0 HB THR A 24 0.167 18.694 -3.982 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.648 17.277 -3.524 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.154 17.234 -1.990 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.007 18.767 -1.688 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.641 18.527 -1.059 1.00 0.00 H new ATOM 297 N SER A 25 -1.261 21.116 -0.808 1.00 0.00 N ATOM 298 CA SER A 25 -2.120 21.471 0.307 1.00 0.00 C ATOM 299 C SER A 25 -2.153 22.985 0.502 1.00 0.00 C ATOM 300 O SER A 25 -3.204 23.567 0.771 1.00 0.00 O ATOM 301 CB SER A 25 -1.620 20.790 1.589 1.00 0.00 C ATOM 302 OG SER A 25 -2.534 20.966 2.660 1.00 0.00 O ATOM 0 H SER A 25 -0.264 21.146 -0.596 1.00 0.00 H new ATOM 0 HA SER A 25 -3.131 21.128 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.475 19.726 1.404 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.649 21.201 1.866 1.00 0.00 H new ATOM 0 HG SER A 25 -2.189 20.520 3.461 1.00 0.00 H new ATOM 308 N GLY A 26 -1.005 23.620 0.346 1.00 0.00 N ATOM 309 CA GLY A 26 -0.919 25.039 0.560 1.00 0.00 C ATOM 310 C GLY A 26 0.291 25.393 1.383 1.00 0.00 C ATOM 311 O GLY A 26 0.704 24.624 2.251 1.00 0.00 O ATOM 0 H GLY A 26 -0.130 23.173 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.872 25.552 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.820 25.389 1.064 1.00 0.00 H new ATOM 315 N CYS A 27 0.866 26.539 1.109 1.00 0.00 N ATOM 316 CA CYS A 27 2.058 26.978 1.807 1.00 0.00 C ATOM 317 C CYS A 27 1.699 27.779 3.058 1.00 0.00 C ATOM 318 O CYS A 27 0.775 28.595 3.040 1.00 0.00 O ATOM 319 CB CYS A 27 2.926 27.812 0.879 1.00 0.00 C ATOM 320 SG CYS A 27 4.470 28.344 1.617 1.00 0.00 S ATOM 0 H CYS A 27 0.527 27.192 0.402 1.00 0.00 H new ATOM 0 HA CYS A 27 2.615 26.095 2.121 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.144 27.233 -0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.364 28.690 0.563 1.00 0.00 H new ATOM 325 N ASN A 28 2.431 27.547 4.144 1.00 0.00 N ATOM 326 CA ASN A 28 2.155 28.226 5.412 1.00 0.00 C ATOM 327 C ASN A 28 3.453 28.689 6.079 1.00 0.00 C ATOM 328 O ASN A 28 3.473 29.002 7.271 1.00 0.00 O ATOM 329 CB ASN A 28 1.404 27.286 6.366 1.00 0.00 C ATOM 330 CG ASN A 28 0.098 26.759 5.803 1.00 0.00 C ATOM 331 OD1 ASN A 28 -0.956 27.378 5.956 1.00 0.00 O ATOM 332 ND2 ASN A 28 0.154 25.601 5.164 1.00 0.00 N ATOM 0 H ASN A 28 3.217 26.898 4.175 1.00 0.00 H new ATOM 0 HA ASN A 28 1.538 29.098 5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.049 26.443 6.613 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.200 27.815 7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.696 25.190 4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.047 25.119 5.058 1.00 0.00 H new ATOM 339 N CYS A 29 4.523 28.736 5.309 1.00 0.00 N ATOM 340 CA CYS A 29 5.836 29.108 5.831 1.00 0.00 C ATOM 341 C CYS A 29 6.046 30.618 5.856 1.00 0.00 C ATOM 342 O CYS A 29 5.189 31.393 5.417 1.00 0.00 O ATOM 343 CB CYS A 29 6.924 28.463 4.993 1.00 0.00 C ATOM 344 SG CYS A 29 6.770 26.687 4.864 1.00 0.00 S ATOM 0 H CYS A 29 4.514 28.521 4.312 1.00 0.00 H new ATOM 0 HA CYS A 29 5.886 28.750 6.859 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.904 28.895 3.992 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.895 28.705 5.425 1.00 0.00 H new ATOM 349 N THR A 30 7.196 31.020 6.379 1.00 0.00 N ATOM 350 CA THR A 30 7.574 32.415 6.449 1.00 0.00 C ATOM 351 C THR A 30 8.525 32.752 5.300 1.00 0.00 C ATOM 352 O THR A 30 8.768 31.915 4.423 1.00 0.00 O ATOM 353 CB THR A 30 8.273 32.717 7.790 1.00 0.00 C ATOM 354 OG1 THR A 30 9.446 31.895 7.926 1.00 0.00 O ATOM 355 CG2 THR A 30 7.331 32.450 8.956 1.00 0.00 C ATOM 0 H THR A 30 7.891 30.382 6.766 1.00 0.00 H new ATOM 0 HA THR A 30 6.672 33.022 6.372 1.00 0.00 H new ATOM 0 HB THR A 30 8.559 33.769 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.201 32.448 8.218 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.842 32.669 9.894 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.451 33.086 8.865 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.025 31.404 8.945 1.00 0.00 H new ATOM 363 N ASP A 31 9.077 33.959 5.308 1.00 0.00 N ATOM 364 CA ASP A 31 10.016 34.378 4.263 1.00 0.00 C ATOM 365 C ASP A 31 11.387 33.757 4.472 1.00 0.00 C ATOM 366 O ASP A 31 12.283 33.925 3.648 1.00 0.00 O ATOM 367 CB ASP A 31 10.144 35.898 4.212 1.00 0.00 C ATOM 368 CG ASP A 31 8.929 36.570 3.624 1.00 0.00 C ATOM 369 OD1 ASP A 31 8.053 36.990 4.394 1.00 0.00 O ATOM 370 OD2 ASP A 31 8.847 36.687 2.386 1.00 0.00 O ATOM 0 H ASP A 31 8.895 34.665 6.021 1.00 0.00 H new ATOM 0 HA ASP A 31 9.614 34.027 3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.311 36.278 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.021 36.164 3.622 1.00 0.00 H new ATOM 375 N ASP A 32 11.545 33.035 5.570 1.00 0.00 N ATOM 376 CA ASP A 32 12.809 32.386 5.886 1.00 0.00 C ATOM 377 C ASP A 32 12.973 31.141 5.057 1.00 0.00 C ATOM 378 O ASP A 32 14.081 30.660 4.859 1.00 0.00 O ATOM 379 CB ASP A 32 12.863 31.996 7.366 1.00 0.00 C ATOM 380 CG ASP A 32 12.727 33.169 8.296 1.00 0.00 C ATOM 381 OD1 ASP A 32 11.594 33.437 8.758 1.00 0.00 O ATOM 382 OD2 ASP A 32 13.749 33.830 8.576 1.00 0.00 O ATOM 0 H ASP A 32 10.810 32.883 6.261 1.00 0.00 H new ATOM 0 HA ASP A 32 13.611 33.091 5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.067 31.281 7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.807 31.490 7.567 1.00 0.00 H new ATOM 387 N CYS A 33 11.853 30.625 4.580 1.00 0.00 N ATOM 388 CA CYS A 33 11.817 29.382 3.836 1.00 0.00 C ATOM 389 C CYS A 33 12.725 29.415 2.611 1.00 0.00 C ATOM 390 O CYS A 33 12.472 30.144 1.646 1.00 0.00 O ATOM 391 CB CYS A 33 10.388 29.062 3.424 1.00 0.00 C ATOM 392 SG CYS A 33 10.203 27.472 2.610 1.00 0.00 S ATOM 0 H CYS A 33 10.939 31.061 4.700 1.00 0.00 H new ATOM 0 HA CYS A 33 12.191 28.597 4.493 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.752 29.082 4.309 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.029 29.845 2.756 1.00 0.00 H new ATOM 397 N LYS A 34 13.787 28.630 2.666 1.00 0.00 N ATOM 398 CA LYS A 34 14.717 28.520 1.571 1.00 0.00 C ATOM 399 C LYS A 34 14.439 27.247 0.763 1.00 0.00 C ATOM 400 O LYS A 34 15.284 26.808 -0.026 1.00 0.00 O ATOM 401 CB LYS A 34 16.163 28.499 2.101 1.00 0.00 C ATOM 402 CG LYS A 34 16.577 29.763 2.864 1.00 0.00 C ATOM 403 CD LYS A 34 18.044 29.705 3.316 1.00 0.00 C ATOM 404 CE LYS A 34 18.964 29.464 2.132 1.00 0.00 C ATOM 405 NZ LYS A 34 20.395 29.465 2.516 1.00 0.00 N ATOM 0 H LYS A 34 14.023 28.054 3.474 1.00 0.00 H new ATOM 0 HA LYS A 34 14.591 29.385 0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.284 27.637 2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.843 28.358 1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.427 30.636 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.934 29.888 3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.315 30.639 3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.172 28.909 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.715 28.508 1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.792 30.234 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.981 29.297 1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.642 30.386 2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.568 28.713 3.214 1.00 0.00 H new ATOM 419 N CYS A 35 13.243 26.671 0.933 1.00 0.00 N ATOM 420 CA CYS A 35 12.903 25.439 0.243 1.00 0.00 C ATOM 421 C CYS A 35 12.517 25.745 -1.184 1.00 0.00 C ATOM 422 O CYS A 35 11.723 26.653 -1.449 1.00 0.00 O ATOM 423 CB CYS A 35 11.772 24.677 0.959 1.00 0.00 C ATOM 424 SG CYS A 35 11.426 23.027 0.260 1.00 0.00 S ATOM 0 H CYS A 35 12.508 27.039 1.537 1.00 0.00 H new ATOM 0 HA CYS A 35 13.781 24.793 0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 35 12.033 24.566 2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.862 25.276 0.917 1.00 0.00 H new ATOM 429 N GLN A 36 13.080 25.000 -2.098 1.00 0.00 N ATOM 430 CA GLN A 36 12.851 25.218 -3.510 1.00 0.00 C ATOM 431 C GLN A 36 11.662 24.408 -4.001 1.00 0.00 C ATOM 432 O GLN A 36 11.238 24.548 -5.147 1.00 0.00 O ATOM 433 CB GLN A 36 14.115 24.854 -4.300 1.00 0.00 C ATOM 434 CG GLN A 36 14.628 23.443 -4.020 1.00 0.00 C ATOM 435 CD GLN A 36 15.974 23.148 -4.660 1.00 0.00 C ATOM 436 OE1 GLN A 36 16.262 22.015 -5.025 1.00 0.00 O ATOM 437 NE2 GLN A 36 16.811 24.166 -4.791 1.00 0.00 N ATOM 0 H GLN A 36 13.710 24.225 -1.890 1.00 0.00 H new ATOM 0 HA GLN A 36 12.622 26.272 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.907 24.951 -5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.901 25.571 -4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.709 23.302 -2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 36 13.896 22.721 -4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.536 25.096 -4.475 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.730 24.020 -5.208 1.00 0.00 H new ATOM 446 N SER A 37 11.106 23.597 -3.121 1.00 0.00 N ATOM 447 CA SER A 37 10.023 22.714 -3.489 1.00 0.00 C ATOM 448 C SER A 37 8.646 23.384 -3.347 1.00 0.00 C ATOM 449 O SER A 37 7.822 23.316 -4.268 1.00 0.00 O ATOM 450 CB SER A 37 10.098 21.428 -2.673 1.00 0.00 C ATOM 451 OG SER A 37 11.385 20.832 -2.796 1.00 0.00 O ATOM 0 H SER A 37 11.390 23.534 -2.143 1.00 0.00 H new ATOM 0 HA SER A 37 10.139 22.470 -4.545 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.889 21.643 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.334 20.730 -3.013 1.00 0.00 H new ATOM 0 HG SER A 37 11.668 20.854 -3.734 1.00 0.00 H new ATOM 457 N CYS A 38 8.384 24.040 -2.218 1.00 0.00 N ATOM 458 CA CYS A 38 7.091 24.680 -2.044 1.00 0.00 C ATOM 459 C CYS A 38 7.055 25.991 -2.808 1.00 0.00 C ATOM 460 O CYS A 38 6.006 26.423 -3.287 1.00 0.00 O ATOM 461 CB CYS A 38 6.744 24.866 -0.568 1.00 0.00 C ATOM 462 SG CYS A 38 7.912 25.835 0.377 1.00 0.00 S ATOM 0 H CYS A 38 9.030 24.139 -1.435 1.00 0.00 H new ATOM 0 HA CYS A 38 6.323 24.025 -2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.765 25.340 -0.499 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.656 23.883 -0.106 1.00 0.00 H new ATOM 467 N LYS A 39 8.219 26.601 -2.945 1.00 0.00 N ATOM 468 CA LYS A 39 8.385 27.789 -3.759 1.00 0.00 C ATOM 469 C LYS A 39 8.685 27.348 -5.187 1.00 0.00 C ATOM 470 O LYS A 39 9.676 27.772 -5.787 1.00 0.00 O ATOM 471 CB LYS A 39 9.539 28.670 -3.228 1.00 0.00 C ATOM 472 CG LYS A 39 9.173 29.599 -2.066 1.00 0.00 C ATOM 473 CD LYS A 39 8.807 28.844 -0.814 1.00 0.00 C ATOM 474 CE LYS A 39 8.206 29.750 0.246 1.00 0.00 C ATOM 475 NZ LYS A 39 6.841 30.206 -0.120 1.00 0.00 N ATOM 0 H LYS A 39 9.077 26.285 -2.493 1.00 0.00 H new ATOM 0 HA LYS A 39 7.472 28.383 -3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.353 28.019 -2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.919 29.276 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.014 30.259 -1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.337 30.232 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.096 28.056 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.696 28.357 -0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.168 29.219 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.851 30.617 0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.785 31.241 -0.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.635 29.932 -1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.146 29.765 0.516 1.00 0.00 H new ATOM 489 N TYR A 40 7.827 26.472 -5.709 1.00 0.00 N ATOM 490 CA TYR A 40 8.010 25.896 -7.038 1.00 0.00 C ATOM 491 C TYR A 40 8.207 26.959 -8.112 1.00 0.00 C ATOM 492 O TYR A 40 7.526 27.986 -8.131 1.00 0.00 O ATOM 493 CB TYR A 40 6.866 24.932 -7.410 1.00 0.00 C ATOM 494 CG TYR A 40 5.474 25.531 -7.352 1.00 0.00 C ATOM 495 CD1 TYR A 40 4.896 26.104 -8.477 1.00 0.00 C ATOM 496 CD2 TYR A 40 4.734 25.509 -6.176 1.00 0.00 C ATOM 497 CE1 TYR A 40 3.627 26.641 -8.431 1.00 0.00 C ATOM 498 CE2 TYR A 40 3.462 26.045 -6.121 1.00 0.00 C ATOM 499 CZ TYR A 40 2.914 26.610 -7.252 1.00 0.00 C ATOM 500 OH TYR A 40 1.645 27.145 -7.206 1.00 0.00 O ATOM 0 H TYR A 40 6.991 26.144 -5.225 1.00 0.00 H new ATOM 0 HA TYR A 40 8.931 25.314 -6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.041 24.557 -8.418 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.903 24.073 -6.740 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.450 26.129 -9.404 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.161 25.065 -5.289 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.193 27.084 -9.315 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.901 26.021 -5.198 1.00 0.00 H new ATOM 0 HH TYR A 40 1.279 27.042 -6.303 1.00 0.00 H new ATOM 510 N GLY A 41 9.155 26.697 -8.990 1.00 0.00 N ATOM 511 CA GLY A 41 9.496 27.621 -10.038 1.00 0.00 C ATOM 512 C GLY A 41 10.950 27.488 -10.362 1.00 0.00 C ATOM 513 O GLY A 41 11.377 27.700 -11.494 1.00 0.00 O ATOM 0 H GLY A 41 9.706 25.838 -8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.894 27.421 -10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.273 28.641 -9.725 1.00 0.00 H new ATOM 517 N ALA A 42 11.709 27.093 -9.354 1.00 0.00 N ATOM 518 CA ALA A 42 13.131 26.869 -9.492 1.00 0.00 C ATOM 519 C ALA A 42 13.400 25.399 -9.799 1.00 0.00 C ATOM 520 O ALA A 42 14.540 24.935 -9.735 1.00 0.00 O ATOM 521 CB ALA A 42 13.855 27.288 -8.220 1.00 0.00 C ATOM 0 H ALA A 42 11.351 26.919 -8.415 1.00 0.00 H new ATOM 0 HA ALA A 42 13.506 27.473 -10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.925 27.114 -8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.677 28.347 -8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.482 26.703 -7.379 1.00 0.00 H new ATOM 527 N GLY A 43 12.337 24.670 -10.119 1.00 0.00 N ATOM 528 CA GLY A 43 12.466 23.278 -10.461 1.00 0.00 C ATOM 529 C GLY A 43 11.730 22.886 -11.726 1.00 0.00 C ATOM 530 O GLY A 43 12.000 21.835 -12.292 1.00 0.00 O ATOM 0 H GLY A 43 11.382 25.028 -10.146 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.523 23.039 -10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.093 22.675 -9.633 1.00 0.00 H new ATOM 534 N CYS A 44 10.856 23.746 -12.197 1.00 0.00 N ATOM 535 CA CYS A 44 9.993 23.409 -13.333 1.00 0.00 C ATOM 536 C CYS A 44 10.099 24.395 -14.474 1.00 0.00 C ATOM 537 O CYS A 44 10.907 25.325 -14.447 1.00 0.00 O ATOM 538 CB CYS A 44 8.537 23.306 -12.888 1.00 0.00 C ATOM 539 SG CYS A 44 8.106 21.727 -12.161 1.00 0.00 S ATOM 0 H CYS A 44 10.715 24.684 -11.821 1.00 0.00 H new ATOM 0 HA CYS A 44 10.343 22.445 -13.702 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.332 24.095 -12.164 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.892 23.487 -13.748 1.00 0.00 H new ATOM 544 N THR A 45 9.262 24.174 -15.476 1.00 0.00 N ATOM 545 CA THR A 45 9.195 24.996 -16.645 1.00 0.00 C ATOM 546 C THR A 45 7.763 24.962 -17.178 1.00 0.00 C ATOM 547 O THR A 45 6.932 24.178 -16.696 1.00 0.00 O ATOM 548 CB THR A 45 10.183 24.500 -17.741 1.00 0.00 C ATOM 549 OG1 THR A 45 10.202 25.408 -18.851 1.00 0.00 O ATOM 550 CG2 THR A 45 9.797 23.110 -18.232 1.00 0.00 C ATOM 0 H THR A 45 8.601 23.397 -15.486 1.00 0.00 H new ATOM 0 HA THR A 45 9.479 26.015 -16.383 1.00 0.00 H new ATOM 0 HB THR A 45 11.177 24.455 -17.296 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.958 24.928 -19.670 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.502 22.786 -18.997 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.820 22.410 -17.397 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.792 23.139 -18.654 1.00 0.00 H new ATOM 558 N ASP A 46 7.484 25.774 -18.169 1.00 0.00 N ATOM 559 CA ASP A 46 6.142 25.868 -18.747 1.00 0.00 C ATOM 560 C ASP A 46 5.809 24.633 -19.581 1.00 0.00 C ATOM 561 O ASP A 46 4.645 24.359 -19.871 1.00 0.00 O ATOM 562 CB ASP A 46 6.021 27.127 -19.607 1.00 0.00 C ATOM 563 CG ASP A 46 7.019 27.155 -20.746 1.00 0.00 C ATOM 564 OD1 ASP A 46 8.174 27.548 -20.516 1.00 0.00 O ATOM 565 OD2 ASP A 46 6.650 26.789 -21.877 1.00 0.00 O ATOM 0 H ASP A 46 8.170 26.391 -18.604 1.00 0.00 H new ATOM 0 HA ASP A 46 5.429 25.925 -17.925 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.011 27.189 -20.013 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.167 28.006 -18.979 1.00 0.00 H new ATOM 570 N THR A 47 6.824 23.886 -19.938 1.00 0.00 N ATOM 571 CA THR A 47 6.665 22.710 -20.763 1.00 0.00 C ATOM 572 C THR A 47 6.217 21.494 -19.930 1.00 0.00 C ATOM 573 O THR A 47 5.649 20.538 -20.457 1.00 0.00 O ATOM 574 CB THR A 47 7.995 22.388 -21.461 1.00 0.00 C ATOM 575 OG1 THR A 47 8.598 23.614 -21.908 1.00 0.00 O ATOM 576 CG2 THR A 47 7.772 21.478 -22.653 1.00 0.00 C ATOM 0 H THR A 47 7.788 24.076 -19.665 1.00 0.00 H new ATOM 0 HA THR A 47 5.893 22.919 -21.504 1.00 0.00 H new ATOM 0 HB THR A 47 8.649 21.879 -20.753 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.449 23.417 -22.353 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.728 21.264 -23.131 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.317 20.546 -22.319 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.111 21.969 -23.367 1.00 0.00 H new ATOM 584 N CYS A 48 6.446 21.555 -18.633 1.00 0.00 N ATOM 585 CA CYS A 48 6.114 20.440 -17.749 1.00 0.00 C ATOM 586 C CYS A 48 4.664 20.510 -17.281 1.00 0.00 C ATOM 587 O CYS A 48 4.024 19.488 -17.047 1.00 0.00 O ATOM 588 CB CYS A 48 7.055 20.423 -16.543 1.00 0.00 C ATOM 589 SG CYS A 48 6.666 19.156 -15.314 1.00 0.00 S ATOM 0 H CYS A 48 6.859 22.360 -18.163 1.00 0.00 H new ATOM 0 HA CYS A 48 6.239 19.517 -18.316 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.075 20.270 -16.895 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.027 21.400 -16.061 1.00 0.00 H new ATOM 594 N LYS A 49 4.143 21.720 -17.177 1.00 0.00 N ATOM 595 CA LYS A 49 2.783 21.935 -16.689 1.00 0.00 C ATOM 596 C LYS A 49 1.740 21.671 -17.777 1.00 0.00 C ATOM 597 O LYS A 49 0.554 21.960 -17.592 1.00 0.00 O ATOM 598 CB LYS A 49 2.637 23.360 -16.186 1.00 0.00 C ATOM 599 CG LYS A 49 2.870 24.401 -17.265 1.00 0.00 C ATOM 600 CD LYS A 49 2.727 25.801 -16.727 1.00 0.00 C ATOM 601 CE LYS A 49 1.308 26.074 -16.252 1.00 0.00 C ATOM 602 NZ LYS A 49 1.133 27.464 -15.767 1.00 0.00 N ATOM 0 H LYS A 49 4.640 22.576 -17.424 1.00 0.00 H new ATOM 0 HA LYS A 49 2.609 21.230 -15.876 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.637 23.492 -15.773 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.343 23.525 -15.372 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.867 24.273 -17.686 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.159 24.249 -18.077 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.423 25.947 -15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.997 26.519 -17.502 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.612 25.887 -17.069 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.055 25.378 -15.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.151 27.602 -15.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.778 27.637 -14.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.348 28.130 -16.537 1.00 0.00 H new ATOM 616 N GLN A 50 2.178 21.133 -18.902 1.00 0.00 N ATOM 617 CA GLN A 50 1.279 20.850 -20.004 1.00 0.00 C ATOM 618 C GLN A 50 0.441 19.599 -19.721 1.00 0.00 C ATOM 619 O GLN A 50 0.352 19.142 -18.578 1.00 0.00 O ATOM 620 CB GLN A 50 2.068 20.685 -21.289 1.00 0.00 C ATOM 621 CG GLN A 50 3.025 21.824 -21.539 1.00 0.00 C ATOM 622 CD GLN A 50 3.484 21.901 -22.965 1.00 0.00 C ATOM 623 OE1 GLN A 50 3.518 20.899 -23.681 1.00 0.00 O ATOM 624 NE2 GLN A 50 3.880 23.070 -23.375 1.00 0.00 N ATOM 0 H GLN A 50 3.152 20.884 -19.075 1.00 0.00 H new ATOM 0 HA GLN A 50 0.595 21.691 -20.116 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.626 19.750 -21.249 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.376 20.608 -22.127 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.543 22.763 -21.267 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.893 21.711 -20.889 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.834 23.873 -22.748 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.237 23.184 -24.324 1.00 0.00 H new ATOM 633 N THR A 51 -0.175 19.063 -20.753 1.00 0.00 N ATOM 634 CA THR A 51 -1.014 17.889 -20.615 1.00 0.00 C ATOM 635 C THR A 51 -0.833 16.944 -21.814 1.00 0.00 C ATOM 636 O THR A 51 -1.171 17.298 -22.946 1.00 0.00 O ATOM 637 CB THR A 51 -2.499 18.293 -20.508 1.00 0.00 C ATOM 638 OG1 THR A 51 -2.656 19.292 -19.487 1.00 0.00 O ATOM 639 CG2 THR A 51 -3.368 17.089 -20.170 1.00 0.00 C ATOM 0 H THR A 51 -0.110 19.424 -21.705 1.00 0.00 H new ATOM 0 HA THR A 51 -0.713 17.372 -19.704 1.00 0.00 H new ATOM 0 HB THR A 51 -2.815 18.692 -21.472 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.600 19.548 -19.422 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.410 17.401 -20.100 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.266 16.336 -20.951 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.051 16.668 -19.216 1.00 0.00 H new ATOM 647 N PRO A 52 -0.279 15.733 -21.588 1.00 0.00 N ATOM 648 CA PRO A 52 0.196 15.288 -20.263 1.00 0.00 C ATOM 649 C PRO A 52 1.441 16.051 -19.817 1.00 0.00 C ATOM 650 O PRO A 52 1.511 16.542 -18.692 1.00 0.00 O ATOM 651 CB PRO A 52 0.538 13.802 -20.476 1.00 0.00 C ATOM 652 CG PRO A 52 -0.090 13.437 -21.781 1.00 0.00 C ATOM 653 CD PRO A 52 -0.105 14.689 -22.601 1.00 0.00 C ATOM 0 HA PRO A 52 -0.550 15.459 -19.487 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.617 13.646 -20.501 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.146 13.188 -19.665 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.477 12.651 -22.280 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.100 13.056 -21.634 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.821 14.818 -23.161 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.918 14.689 -23.326 1.00 0.00 H new ATOM 661 N CYS A 53 2.415 16.135 -20.705 1.00 0.00 N ATOM 662 CA CYS A 53 3.637 16.855 -20.440 1.00 0.00 C ATOM 663 C CYS A 53 4.406 17.070 -21.727 1.00 0.00 C ATOM 664 O CYS A 53 4.488 16.172 -22.565 1.00 0.00 O ATOM 665 CB CYS A 53 4.501 16.086 -19.459 1.00 0.00 C ATOM 666 SG CYS A 53 5.978 16.983 -18.941 1.00 0.00 S ATOM 0 H CYS A 53 2.376 15.704 -21.629 1.00 0.00 H new ATOM 0 HA CYS A 53 3.379 17.822 -20.008 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.907 15.842 -18.578 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.800 15.142 -19.914 1.00 0.00 H new ATOM 671 N GLY A 54 4.968 18.252 -21.891 1.00 0.00 N ATOM 672 CA GLY A 54 5.727 18.538 -23.080 1.00 0.00 C ATOM 673 C GLY A 54 7.173 18.114 -22.947 1.00 0.00 C ATOM 674 O GLY A 54 7.853 17.875 -23.949 1.00 0.00 O ATOM 0 H GLY A 54 4.911 19.019 -21.220 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.276 18.025 -23.930 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.681 19.606 -23.291 1.00 0.00 H new ATOM 678 N CYS A 55 7.642 18.003 -21.709 1.00 0.00 N ATOM 679 CA CYS A 55 9.006 17.623 -21.435 1.00 0.00 C ATOM 680 C CYS A 55 9.235 16.157 -21.743 1.00 0.00 C ATOM 681 O CYS A 55 10.373 15.710 -21.862 1.00 0.00 O ATOM 682 CB CYS A 55 9.346 17.924 -19.990 1.00 0.00 C ATOM 683 SG CYS A 55 9.313 19.674 -19.587 1.00 0.00 S ATOM 0 H CYS A 55 7.081 18.175 -20.875 1.00 0.00 H new ATOM 0 HA CYS A 55 9.663 18.205 -22.081 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.643 17.399 -19.344 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.338 17.529 -19.770 1.00 0.00 H new ATOM 688 N GLY A 56 8.142 15.416 -21.890 1.00 0.00 N ATOM 689 CA GLY A 56 8.231 14.014 -22.244 1.00 0.00 C ATOM 690 C GLY A 56 8.876 13.820 -23.607 1.00 0.00 C ATOM 691 O GLY A 56 9.318 12.724 -23.946 1.00 0.00 O ATOM 0 H GLY A 56 7.191 15.765 -21.769 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.810 13.484 -21.488 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.233 13.575 -22.247 1.00 0.00 H new ATOM 695 N SER A 57 8.923 14.895 -24.386 1.00 0.00 N ATOM 696 CA SER A 57 9.544 14.881 -25.697 1.00 0.00 C ATOM 697 C SER A 57 10.511 16.061 -25.834 1.00 0.00 C ATOM 698 O SER A 57 10.821 16.503 -26.939 1.00 0.00 O ATOM 699 CB SER A 57 8.468 14.951 -26.778 1.00 0.00 C ATOM 700 OG SER A 57 7.528 13.899 -26.622 1.00 0.00 O ATOM 0 H SER A 57 8.530 15.799 -24.123 1.00 0.00 H new ATOM 0 HA SER A 57 10.106 13.955 -25.816 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.957 15.912 -26.727 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.931 14.888 -27.763 1.00 0.00 H new ATOM 0 HG SER A 57 6.846 13.963 -27.323 1.00 0.00 H new ATOM 706 N GLY A 58 10.993 16.553 -24.703 1.00 0.00 N ATOM 707 CA GLY A 58 11.895 17.688 -24.709 1.00 0.00 C ATOM 708 C GLY A 58 11.788 18.495 -23.436 1.00 0.00 C ATOM 709 O GLY A 58 11.038 19.468 -23.369 1.00 0.00 O ATOM 0 H GLY A 58 10.775 16.185 -23.777 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.920 17.338 -24.832 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.671 18.326 -25.564 1.00 0.00 H new ATOM 713 N CYS A 59 12.524 18.079 -22.423 1.00 0.00 N ATOM 714 CA CYS A 59 12.501 18.733 -21.124 1.00 0.00 C ATOM 715 C CYS A 59 13.217 20.086 -21.137 1.00 0.00 C ATOM 716 O CYS A 59 14.177 20.292 -21.887 1.00 0.00 O ATOM 717 CB CYS A 59 13.114 17.814 -20.073 1.00 0.00 C ATOM 718 SG CYS A 59 13.377 18.589 -18.467 1.00 0.00 S ATOM 0 H CYS A 59 13.155 17.279 -22.475 1.00 0.00 H new ATOM 0 HA CYS A 59 11.459 18.931 -20.874 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.465 16.948 -19.943 1.00 0.00 H new ATOM 0 HB3 CYS A 59 14.069 17.444 -20.445 1.00 0.00 H new ATOM 723 N ASN A 60 12.741 21.000 -20.297 1.00 0.00 N ATOM 724 CA ASN A 60 13.316 22.340 -20.194 1.00 0.00 C ATOM 725 C ASN A 60 13.258 22.831 -18.731 1.00 0.00 C ATOM 726 O ASN A 60 13.411 24.014 -18.447 1.00 0.00 O ATOM 727 CB ASN A 60 12.548 23.299 -21.141 1.00 0.00 C ATOM 728 CG ASN A 60 13.160 24.694 -21.249 1.00 0.00 C ATOM 729 OD1 ASN A 60 14.127 24.904 -21.986 1.00 0.00 O ATOM 730 ND2 ASN A 60 12.577 25.655 -20.554 1.00 0.00 N ATOM 0 H ASN A 60 11.952 20.836 -19.672 1.00 0.00 H new ATOM 0 HA ASN A 60 14.363 22.318 -20.495 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.507 22.854 -22.135 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.520 23.391 -20.791 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.925 26.612 -20.616 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.779 25.440 -19.956 1.00 0.00 H new ATOM 737 N CYS A 61 13.066 21.895 -17.804 1.00 0.00 N ATOM 738 CA CYS A 61 12.939 22.227 -16.380 1.00 0.00 C ATOM 739 C CYS A 61 14.249 22.693 -15.755 1.00 0.00 C ATOM 740 O CYS A 61 15.286 22.781 -16.421 1.00 0.00 O ATOM 741 CB CYS A 61 12.389 21.044 -15.597 1.00 0.00 C ATOM 742 SG CYS A 61 10.618 20.841 -15.751 1.00 0.00 S ATOM 0 H CYS A 61 12.994 20.899 -18.010 1.00 0.00 H new ATOM 0 HA CYS A 61 12.240 23.062 -16.325 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.881 20.133 -15.938 1.00 0.00 H new ATOM 0 HB3 CYS A 61 12.642 21.168 -14.544 1.00 0.00 H new ATOM 747 N LYS A 62 14.190 22.964 -14.458 1.00 0.00 N ATOM 748 CA LYS A 62 15.332 23.467 -13.720 1.00 0.00 C ATOM 749 C LYS A 62 16.091 22.308 -13.056 1.00 0.00 C ATOM 750 O LYS A 62 17.152 21.900 -13.529 1.00 0.00 O ATOM 751 CB LYS A 62 14.858 24.457 -12.655 1.00 0.00 C ATOM 752 CG LYS A 62 14.095 25.680 -13.188 1.00 0.00 C ATOM 753 CD LYS A 62 15.033 26.802 -13.657 1.00 0.00 C ATOM 754 CE LYS A 62 15.792 27.430 -12.496 1.00 0.00 C ATOM 755 NZ LYS A 62 16.622 28.579 -12.936 1.00 0.00 N ATOM 0 H LYS A 62 13.350 22.841 -13.893 1.00 0.00 H new ATOM 0 HA LYS A 62 16.006 23.974 -14.411 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.216 23.928 -11.951 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.726 24.806 -12.095 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.458 25.373 -14.018 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.438 26.063 -12.407 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.743 26.403 -14.381 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.453 27.570 -14.169 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.084 27.763 -11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.430 26.679 -12.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.123 28.979 -12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.315 28.257 -13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.011 29.307 -13.358 1.00 0.00 H new ATOM 769 N GLU A 63 15.522 21.764 -11.967 1.00 0.00 N ATOM 770 CA GLU A 63 16.148 20.655 -11.236 1.00 0.00 C ATOM 771 C GLU A 63 15.179 20.082 -10.181 1.00 0.00 C ATOM 772 O GLU A 63 15.082 18.870 -10.007 1.00 0.00 O ATOM 773 CB GLU A 63 17.466 21.115 -10.581 1.00 0.00 C ATOM 774 CG GLU A 63 18.440 19.980 -10.278 1.00 0.00 C ATOM 775 CD GLU A 63 19.834 20.479 -9.924 1.00 0.00 C ATOM 776 OE1 GLU A 63 20.447 21.174 -10.753 1.00 0.00 O ATOM 777 OE2 GLU A 63 20.323 20.163 -8.825 1.00 0.00 O ATOM 0 H GLU A 63 14.632 22.075 -11.576 1.00 0.00 H new ATOM 0 HA GLU A 63 16.380 19.862 -11.946 1.00 0.00 H new ATOM 0 HB2 GLU A 63 17.955 21.833 -11.239 1.00 0.00 H new ATOM 0 HB3 GLU A 63 17.235 21.639 -9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.051 19.384 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 63 18.504 19.321 -11.144 1.00 0.00 H new ATOM 784 N ASP A 64 14.449 20.969 -9.508 1.00 0.00 N ATOM 785 CA ASP A 64 13.451 20.576 -8.485 1.00 0.00 C ATOM 786 C ASP A 64 12.130 20.173 -9.164 1.00 0.00 C ATOM 787 O ASP A 64 11.073 20.751 -8.922 1.00 0.00 O ATOM 788 CB ASP A 64 13.214 21.739 -7.479 1.00 0.00 C ATOM 789 CG ASP A 64 12.201 21.403 -6.373 1.00 0.00 C ATOM 790 OD1 ASP A 64 12.566 20.710 -5.406 1.00 0.00 O ATOM 791 OD2 ASP A 64 11.037 21.853 -6.474 1.00 0.00 O ATOM 0 H ASP A 64 14.523 21.977 -9.647 1.00 0.00 H new ATOM 0 HA ASP A 64 13.836 19.719 -7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.165 22.009 -7.019 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.864 22.615 -8.026 1.00 0.00 H new ATOM 796 N CYS A 65 12.213 19.229 -10.061 1.00 0.00 N ATOM 797 CA CYS A 65 11.033 18.741 -10.738 1.00 0.00 C ATOM 798 C CYS A 65 10.535 17.439 -10.122 1.00 0.00 C ATOM 799 O CYS A 65 11.262 16.454 -10.075 1.00 0.00 O ATOM 800 CB CYS A 65 11.304 18.540 -12.210 1.00 0.00 C ATOM 801 SG CYS A 65 9.912 17.821 -13.079 1.00 0.00 S ATOM 0 H CYS A 65 13.084 18.779 -10.343 1.00 0.00 H new ATOM 0 HA CYS A 65 10.256 19.496 -10.619 1.00 0.00 H new ATOM 0 HB2 CYS A 65 11.554 19.499 -12.663 1.00 0.00 H new ATOM 0 HB3 CYS A 65 12.174 17.895 -12.330 1.00 0.00 H new ATOM 806 N ARG A 66 9.284 17.449 -9.670 1.00 0.00 N ATOM 807 CA ARG A 66 8.654 16.292 -9.039 1.00 0.00 C ATOM 808 C ARG A 66 7.923 15.406 -10.048 1.00 0.00 C ATOM 809 O ARG A 66 7.176 14.501 -9.663 1.00 0.00 O ATOM 810 CB ARG A 66 7.674 16.769 -7.981 1.00 0.00 C ATOM 811 CG ARG A 66 8.223 16.734 -6.579 1.00 0.00 C ATOM 812 CD ARG A 66 7.619 17.822 -5.729 1.00 0.00 C ATOM 813 NE ARG A 66 8.331 19.089 -5.918 1.00 0.00 N ATOM 814 CZ ARG A 66 7.766 20.290 -5.886 1.00 0.00 C ATOM 815 NH1 ARG A 66 6.462 20.412 -5.663 1.00 0.00 N ATOM 816 NH2 ARG A 66 8.505 21.375 -6.069 1.00 0.00 N ATOM 0 H ARG A 66 8.675 18.265 -9.731 1.00 0.00 H new ATOM 0 HA ARG A 66 9.444 15.691 -8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.369 17.789 -8.216 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.778 16.150 -8.025 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.018 15.762 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.306 16.850 -6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.568 17.949 -5.987 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.657 17.532 -4.679 1.00 0.00 H new ATOM 0 HE ARG A 66 9.336 19.045 -6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.890 19.581 -5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.033 21.337 -5.639 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.508 21.287 -6.234 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.071 22.298 -6.044 1.00 0.00 H new ATOM 830 N CYS A 67 8.123 15.661 -11.321 1.00 0.00 N ATOM 831 CA CYS A 67 7.474 14.872 -12.345 1.00 0.00 C ATOM 832 C CYS A 67 8.263 13.593 -12.599 1.00 0.00 C ATOM 833 O CYS A 67 9.471 13.559 -12.410 1.00 0.00 O ATOM 834 CB CYS A 67 7.343 15.672 -13.639 1.00 0.00 C ATOM 835 SG CYS A 67 6.308 14.883 -14.891 1.00 0.00 S ATOM 0 H CYS A 67 8.727 16.405 -11.672 1.00 0.00 H new ATOM 0 HA CYS A 67 6.474 14.611 -11.997 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.929 16.653 -13.407 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.337 15.835 -14.055 1.00 0.00 H new ATOM 840 N GLN A 68 7.578 12.544 -13.014 1.00 0.00 N ATOM 841 CA GLN A 68 8.243 11.281 -13.307 1.00 0.00 C ATOM 842 C GLN A 68 8.227 10.986 -14.799 1.00 0.00 C ATOM 843 O GLN A 68 8.614 9.902 -15.230 1.00 0.00 O ATOM 844 CB GLN A 68 7.615 10.114 -12.518 1.00 0.00 C ATOM 845 CG GLN A 68 6.087 10.080 -12.532 1.00 0.00 C ATOM 846 CD GLN A 68 5.476 10.543 -11.213 1.00 0.00 C ATOM 847 OE1 GLN A 68 4.381 10.128 -10.839 1.00 0.00 O ATOM 848 NE2 GLN A 68 6.192 11.395 -10.495 1.00 0.00 N ATOM 0 H GLN A 68 6.568 12.537 -13.156 1.00 0.00 H new ATOM 0 HA GLN A 68 9.281 11.381 -12.988 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.989 9.175 -12.926 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.954 10.169 -11.483 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.721 10.714 -13.340 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.752 9.065 -12.746 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.097 11.717 -10.839 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.839 11.729 -9.598 1.00 0.00 H new ATOM 857 N SER A 69 7.818 11.961 -15.588 1.00 0.00 N ATOM 858 CA SER A 69 7.738 11.774 -17.018 1.00 0.00 C ATOM 859 C SER A 69 9.016 12.251 -17.701 1.00 0.00 C ATOM 860 O SER A 69 9.562 11.565 -18.570 1.00 0.00 O ATOM 861 CB SER A 69 6.515 12.507 -17.588 1.00 0.00 C ATOM 862 OG SER A 69 6.335 12.219 -18.964 1.00 0.00 O ATOM 0 H SER A 69 7.538 12.886 -15.262 1.00 0.00 H new ATOM 0 HA SER A 69 7.626 10.708 -17.216 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.623 12.215 -17.034 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.637 13.582 -17.452 1.00 0.00 H new ATOM 0 HG SER A 69 5.548 12.698 -19.298 1.00 0.00 H new ATOM 868 N CYS A 70 9.512 13.404 -17.288 1.00 0.00 N ATOM 869 CA CYS A 70 10.679 13.980 -17.926 1.00 0.00 C ATOM 870 C CYS A 70 11.967 13.742 -17.123 1.00 0.00 C ATOM 871 O CYS A 70 13.072 13.894 -17.653 1.00 0.00 O ATOM 872 CB CYS A 70 10.446 15.462 -18.204 1.00 0.00 C ATOM 873 SG CYS A 70 9.995 16.443 -16.759 1.00 0.00 S ATOM 0 H CYS A 70 9.128 13.955 -16.520 1.00 0.00 H new ATOM 0 HA CYS A 70 10.825 13.469 -18.878 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.352 15.882 -18.642 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.657 15.557 -18.950 1.00 0.00 H new ATOM 878 N SER A 71 11.821 13.368 -15.855 1.00 0.00 N ATOM 879 CA SER A 71 12.974 13.043 -15.013 1.00 0.00 C ATOM 880 C SER A 71 13.698 11.798 -15.546 1.00 0.00 C ATOM 881 O SER A 71 13.085 10.958 -16.224 1.00 0.00 O ATOM 882 CB SER A 71 12.527 12.829 -13.570 1.00 0.00 C ATOM 883 OG SER A 71 11.949 14.011 -13.052 1.00 0.00 O ATOM 0 H SER A 71 10.919 13.282 -15.387 1.00 0.00 H new ATOM 0 HA SER A 71 13.673 13.879 -15.040 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.806 12.013 -13.523 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.380 12.535 -12.958 1.00 0.00 H new ATOM 0 HG SER A 71 11.191 13.779 -12.476 1.00 0.00 H new ATOM 889 N THR A 72 14.993 11.672 -15.234 1.00 0.00 N ATOM 890 CA THR A 72 15.795 10.571 -15.751 1.00 0.00 C ATOM 891 C THR A 72 15.407 9.245 -15.090 1.00 0.00 C ATOM 892 O THR A 72 14.659 9.221 -14.106 1.00 0.00 O ATOM 893 CB THR A 72 17.320 10.835 -15.559 1.00 0.00 C ATOM 894 OG1 THR A 72 18.077 9.996 -16.439 1.00 0.00 O ATOM 895 CG2 THR A 72 17.756 10.564 -14.119 1.00 0.00 C ATOM 0 H THR A 72 15.500 12.318 -14.629 1.00 0.00 H new ATOM 0 HA THR A 72 15.591 10.501 -16.819 1.00 0.00 H new ATOM 0 HB THR A 72 17.505 11.884 -15.789 1.00 0.00 H new ATOM 0 HG1 THR A 72 19.033 10.169 -16.314 1.00 0.00 H new ATOM 0 HG21 THR A 72 18.824 10.758 -14.020 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.204 11.217 -13.443 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.551 9.524 -13.866 1.00 0.00 H new ATOM 903 N ALA A 73 15.908 8.151 -15.638 1.00 0.00 N ATOM 904 CA ALA A 73 15.634 6.844 -15.104 1.00 0.00 C ATOM 905 C ALA A 73 16.426 6.622 -13.827 1.00 0.00 C ATOM 906 O ALA A 73 17.647 6.452 -13.865 1.00 0.00 O ATOM 907 CB ALA A 73 15.960 5.769 -16.132 1.00 0.00 C ATOM 0 H ALA A 73 16.512 8.152 -16.460 1.00 0.00 H new ATOM 0 HA ALA A 73 14.572 6.779 -14.868 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.747 4.786 -15.711 1.00 0.00 H new ATOM 0 HB2 ALA A 73 15.352 5.922 -17.024 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.015 5.828 -16.398 1.00 0.00 H new ATOM 913 N CYS A 74 15.732 6.673 -12.698 1.00 0.00 N ATOM 914 CA CYS A 74 16.347 6.447 -11.403 1.00 0.00 C ATOM 915 C CYS A 74 17.066 5.111 -11.371 1.00 0.00 C ATOM 916 O CYS A 74 16.579 4.116 -11.916 1.00 0.00 O ATOM 917 CB CYS A 74 15.298 6.494 -10.296 1.00 0.00 C ATOM 918 SG CYS A 74 15.537 7.838 -9.120 1.00 0.00 S ATOM 0 H CYS A 74 14.732 6.871 -12.657 1.00 0.00 H new ATOM 0 HA CYS A 74 17.076 7.240 -11.236 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.311 6.591 -10.748 1.00 0.00 H new ATOM 0 HB3 CYS A 74 15.310 5.547 -9.757 1.00 0.00 H new ATOM 923 N LYS A 75 18.208 5.085 -10.712 1.00 0.00 N ATOM 924 CA LYS A 75 19.014 3.852 -10.629 1.00 0.00 C ATOM 925 C LYS A 75 18.510 2.925 -9.527 1.00 0.00 C ATOM 926 O LYS A 75 19.292 2.290 -8.812 1.00 0.00 O ATOM 927 CB LYS A 75 20.506 4.165 -10.425 1.00 0.00 C ATOM 928 CG LYS A 75 21.271 4.442 -11.720 1.00 0.00 C ATOM 929 CD LYS A 75 21.266 3.224 -12.651 1.00 0.00 C ATOM 930 CE LYS A 75 22.038 3.497 -13.925 1.00 0.00 C ATOM 931 NZ LYS A 75 23.495 3.296 -13.739 1.00 0.00 N ATOM 0 H LYS A 75 18.608 5.888 -10.226 1.00 0.00 H new ATOM 0 HA LYS A 75 18.902 3.337 -11.583 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.598 5.031 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.975 3.326 -9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.824 5.294 -12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.299 4.716 -11.484 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.703 2.369 -12.136 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.238 2.957 -12.897 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.678 2.839 -14.716 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.851 4.520 -14.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.989 3.492 -14.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.843 3.942 -13.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.676 2.313 -13.452 1.00 0.00 H new ATOM 945 N CYS A 76 17.209 2.835 -9.407 1.00 0.00 N ATOM 946 CA CYS A 76 16.608 1.999 -8.420 1.00 0.00 C ATOM 947 C CYS A 76 16.233 0.643 -8.959 1.00 0.00 C ATOM 948 O CYS A 76 16.167 0.425 -10.169 1.00 0.00 O ATOM 949 CB CYS A 76 15.401 2.667 -7.832 1.00 0.00 C ATOM 950 SG CYS A 76 15.808 4.125 -6.912 1.00 0.00 S ATOM 0 H CYS A 76 16.545 3.341 -9.993 1.00 0.00 H new ATOM 0 HA CYS A 76 17.356 1.843 -7.642 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.709 2.929 -8.633 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.883 1.964 -7.180 1.00 0.00 H new ATOM 955 N ALA A 77 15.969 -0.244 -8.027 1.00 0.00 N ATOM 956 CA ALA A 77 15.601 -1.612 -8.276 1.00 0.00 C ATOM 957 C ALA A 77 15.329 -2.247 -6.961 1.00 0.00 C ATOM 958 O ALA A 77 15.170 -1.522 -5.984 1.00 0.00 O ATOM 959 CB ALA A 77 16.694 -2.338 -9.031 1.00 0.00 C ATOM 0 H ALA A 77 16.008 -0.018 -7.033 1.00 0.00 H new ATOM 0 HA ALA A 77 14.711 -1.661 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.391 -3.370 -9.207 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.867 -1.843 -9.987 1.00 0.00 H new ATOM 0 HB3 ALA A 77 17.612 -2.324 -8.444 1.00 0.00 H new ATOM 965 N ALA A 78 15.263 -3.573 -6.931 1.00 0.00 N ATOM 966 CA ALA A 78 14.960 -4.337 -5.710 1.00 0.00 C ATOM 967 C ALA A 78 15.763 -3.866 -4.493 1.00 0.00 C ATOM 968 O ALA A 78 16.850 -4.363 -4.212 1.00 0.00 O ATOM 969 CB ALA A 78 15.174 -5.824 -5.947 1.00 0.00 C ATOM 0 H ALA A 78 15.418 -4.158 -7.752 1.00 0.00 H new ATOM 0 HA ALA A 78 13.910 -4.155 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.946 -6.374 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.518 -6.163 -6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.212 -6.002 -6.228 1.00 0.00 H new ATOM 975 N GLY A 79 15.232 -2.861 -3.823 1.00 0.00 N ATOM 976 CA GLY A 79 15.828 -2.360 -2.595 1.00 0.00 C ATOM 977 C GLY A 79 16.907 -1.325 -2.840 1.00 0.00 C ATOM 978 O GLY A 79 17.829 -1.182 -2.043 1.00 0.00 O ATOM 0 H GLY A 79 14.384 -2.372 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.048 -1.923 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.253 -3.194 -2.037 1.00 0.00 H new ATOM 982 N SER A 80 16.801 -0.601 -3.939 1.00 0.00 N ATOM 983 CA SER A 80 17.792 0.409 -4.259 1.00 0.00 C ATOM 984 C SER A 80 17.229 1.833 -4.100 1.00 0.00 C ATOM 985 O SER A 80 17.974 2.803 -4.154 1.00 0.00 O ATOM 986 CB SER A 80 18.336 0.187 -5.676 1.00 0.00 C ATOM 987 OG SER A 80 19.524 0.932 -5.900 1.00 0.00 O ATOM 0 H SER A 80 16.046 -0.692 -4.619 1.00 0.00 H new ATOM 0 HA SER A 80 18.613 0.310 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 80 18.536 -0.874 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.581 0.477 -6.406 1.00 0.00 H new ATOM 0 HG SER A 80 19.458 1.798 -5.445 1.00 0.00 H new ATOM 993 N CYS A 81 15.916 1.957 -3.898 1.00 0.00 N ATOM 994 CA CYS A 81 15.317 3.278 -3.698 1.00 0.00 C ATOM 995 C CYS A 81 15.496 3.695 -2.241 1.00 0.00 C ATOM 996 O CYS A 81 14.619 3.472 -1.408 1.00 0.00 O ATOM 997 CB CYS A 81 13.822 3.289 -4.068 1.00 0.00 C ATOM 998 SG CYS A 81 12.974 4.878 -3.760 1.00 0.00 S ATOM 0 H CYS A 81 15.259 1.177 -3.869 1.00 0.00 H new ATOM 0 HA CYS A 81 15.822 3.985 -4.355 1.00 0.00 H new ATOM 0 HB2 CYS A 81 13.721 3.037 -5.124 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.316 2.506 -3.503 1.00 0.00 H new ATOM 1003 N LYS A 82 16.636 4.285 -1.938 1.00 0.00 N ATOM 1004 CA LYS A 82 16.965 4.655 -0.563 1.00 0.00 C ATOM 1005 C LYS A 82 16.332 5.983 -0.147 1.00 0.00 C ATOM 1006 O LYS A 82 16.732 6.581 0.852 1.00 0.00 O ATOM 1007 CB LYS A 82 18.494 4.687 -0.336 1.00 0.00 C ATOM 1008 CG LYS A 82 19.274 5.615 -1.273 1.00 0.00 C ATOM 1009 CD LYS A 82 19.710 4.914 -2.563 1.00 0.00 C ATOM 1010 CE LYS A 82 20.710 3.792 -2.304 1.00 0.00 C ATOM 1011 NZ LYS A 82 21.954 4.288 -1.668 1.00 0.00 N ATOM 0 H LYS A 82 17.355 4.521 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 82 16.539 3.879 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.686 4.991 0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.883 3.675 -0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.656 6.477 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.154 5.994 -0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.833 4.507 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.155 5.645 -3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.251 3.039 -1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.956 3.302 -3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.679 3.543 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.298 5.124 -2.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.759 4.546 -0.680 1.00 0.00 H new ATOM 1025 N CYS A 83 15.340 6.439 -0.894 1.00 0.00 N ATOM 1026 CA CYS A 83 14.658 7.673 -0.550 1.00 0.00 C ATOM 1027 C CYS A 83 13.621 7.422 0.527 1.00 0.00 C ATOM 1028 O CYS A 83 13.441 8.227 1.430 1.00 0.00 O ATOM 1029 CB CYS A 83 13.995 8.301 -1.781 1.00 0.00 C ATOM 1030 SG CYS A 83 13.143 9.873 -1.461 1.00 0.00 S ATOM 0 H CYS A 83 14.992 5.978 -1.735 1.00 0.00 H new ATOM 0 HA CYS A 83 15.403 8.372 -0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.756 8.464 -2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.278 7.591 -2.193 1.00 0.00 H new ATOM 1035 N GLY A 84 12.955 6.297 0.429 1.00 0.00 N ATOM 1036 CA GLY A 84 11.923 5.962 1.373 1.00 0.00 C ATOM 1037 C GLY A 84 10.686 5.547 0.652 1.00 0.00 C ATOM 1038 O GLY A 84 9.895 4.749 1.152 1.00 0.00 O ATOM 0 H GLY A 84 13.112 5.598 -0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.262 5.156 2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.711 6.819 2.012 1.00 0.00 H new ATOM 1042 N LYS A 85 10.531 6.090 -0.548 1.00 0.00 N ATOM 1043 CA LYS A 85 9.418 5.770 -1.414 1.00 0.00 C ATOM 1044 C LYS A 85 9.408 4.275 -1.693 1.00 0.00 C ATOM 1045 O LYS A 85 8.366 3.623 -1.650 1.00 0.00 O ATOM 1046 CB LYS A 85 9.545 6.568 -2.720 1.00 0.00 C ATOM 1047 CG LYS A 85 9.497 8.078 -2.516 1.00 0.00 C ATOM 1048 CD LYS A 85 8.106 8.518 -2.124 1.00 0.00 C ATOM 1049 CE LYS A 85 8.099 9.839 -1.431 1.00 0.00 C ATOM 1050 NZ LYS A 85 6.744 10.152 -0.914 1.00 0.00 N ATOM 0 H LYS A 85 11.181 6.768 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 85 8.479 6.039 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.484 6.305 -3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.741 6.275 -3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.208 8.369 -1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.799 8.584 -3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.482 8.576 -3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.661 7.767 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.814 9.828 -0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.420 10.619 -2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.787 11.005 -0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.098 10.317 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.396 9.353 -0.346 1.00 0.00 H new ATOM 1064 N GLY A 86 10.587 3.741 -1.956 1.00 0.00 N ATOM 1065 CA GLY A 86 10.734 2.312 -2.181 1.00 0.00 C ATOM 1066 C GLY A 86 10.087 1.863 -3.465 1.00 0.00 C ATOM 1067 O GLY A 86 9.553 0.761 -3.551 1.00 0.00 O ATOM 0 H GLY A 86 11.455 4.272 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.794 2.058 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.293 1.768 -1.346 1.00 0.00 H new ATOM 1071 N CYS A 87 10.140 2.717 -4.459 1.00 0.00 N ATOM 1072 CA CYS A 87 9.536 2.440 -5.746 1.00 0.00 C ATOM 1073 C CYS A 87 10.312 1.375 -6.502 1.00 0.00 C ATOM 1074 O CYS A 87 9.747 0.645 -7.312 1.00 0.00 O ATOM 1075 CB CYS A 87 9.461 3.725 -6.524 1.00 0.00 C ATOM 1076 SG CYS A 87 8.763 5.044 -5.551 1.00 0.00 S ATOM 0 H CYS A 87 10.602 3.624 -4.401 1.00 0.00 H new ATOM 0 HA CYS A 87 8.530 2.045 -5.601 1.00 0.00 H new ATOM 0 HB2 CYS A 87 10.460 4.008 -6.857 1.00 0.00 H new ATOM 0 HB3 CYS A 87 8.857 3.574 -7.419 1.00 0.00 H new ATOM 1081 N THR A 88 11.612 1.297 -6.218 1.00 0.00 N ATOM 1082 CA THR A 88 12.501 0.282 -6.793 1.00 0.00 C ATOM 1083 C THR A 88 12.415 0.228 -8.330 1.00 0.00 C ATOM 1084 O THR A 88 12.404 -0.843 -8.926 1.00 0.00 O ATOM 1085 CB THR A 88 12.225 -1.128 -6.177 1.00 0.00 C ATOM 1086 OG1 THR A 88 10.901 -1.578 -6.488 1.00 0.00 O ATOM 1087 CG2 THR A 88 12.389 -1.089 -4.662 1.00 0.00 C ATOM 0 H THR A 88 12.082 1.938 -5.580 1.00 0.00 H new ATOM 0 HA THR A 88 13.518 0.579 -6.536 1.00 0.00 H new ATOM 0 HB THR A 88 12.948 -1.820 -6.609 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.488 -0.962 -7.129 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.193 -2.079 -4.249 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.407 -0.787 -4.414 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.685 -0.373 -4.238 1.00 0.00 H new ATOM 1095 N GLY A 89 12.409 1.392 -8.952 1.00 0.00 N ATOM 1096 CA GLY A 89 12.293 1.468 -10.394 1.00 0.00 C ATOM 1097 C GLY A 89 11.906 2.859 -10.845 1.00 0.00 C ATOM 1098 O GLY A 89 11.111 3.517 -10.182 1.00 0.00 O ATOM 0 H GLY A 89 12.483 2.294 -8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.241 1.186 -10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.547 0.752 -10.739 1.00 0.00 H new ATOM 1102 N PRO A 90 12.427 3.326 -11.988 1.00 0.00 N ATOM 1103 CA PRO A 90 12.171 4.688 -12.479 1.00 0.00 C ATOM 1104 C PRO A 90 10.738 4.878 -12.946 1.00 0.00 C ATOM 1105 O PRO A 90 10.236 5.994 -13.004 1.00 0.00 O ATOM 1106 CB PRO A 90 13.134 4.833 -13.654 1.00 0.00 C ATOM 1107 CG PRO A 90 13.382 3.443 -14.124 1.00 0.00 C ATOM 1108 CD PRO A 90 13.290 2.560 -12.906 1.00 0.00 C ATOM 0 HA PRO A 90 12.317 5.432 -11.696 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.702 5.446 -14.445 1.00 0.00 H new ATOM 0 HB3 PRO A 90 14.061 5.317 -13.347 1.00 0.00 H new ATOM 0 HG2 PRO A 90 12.647 3.149 -14.873 1.00 0.00 H new ATOM 0 HG3 PRO A 90 14.363 3.360 -14.591 1.00 0.00 H new ATOM 0 HD2 PRO A 90 12.858 1.589 -13.146 1.00 0.00 H new ATOM 0 HD3 PRO A 90 14.272 2.373 -12.471 1.00 0.00 H new ATOM 1116 N ASP A 91 10.091 3.782 -13.277 1.00 0.00 N ATOM 1117 CA ASP A 91 8.707 3.808 -13.728 1.00 0.00 C ATOM 1118 C ASP A 91 7.769 3.926 -12.543 1.00 0.00 C ATOM 1119 O ASP A 91 6.598 4.276 -12.692 1.00 0.00 O ATOM 1120 CB ASP A 91 8.386 2.535 -14.500 1.00 0.00 C ATOM 1121 CG ASP A 91 8.573 1.292 -13.657 1.00 0.00 C ATOM 1122 OD1 ASP A 91 9.709 0.777 -13.605 1.00 0.00 O ATOM 1123 OD2 ASP A 91 7.594 0.838 -13.023 1.00 0.00 O ATOM 0 H ASP A 91 10.502 2.849 -13.243 1.00 0.00 H new ATOM 0 HA ASP A 91 8.572 4.672 -14.379 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.357 2.578 -14.857 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.026 2.475 -15.380 1.00 0.00 H new ATOM 1128 N SER A 92 8.289 3.630 -11.373 1.00 0.00 N ATOM 1129 CA SER A 92 7.506 3.661 -10.163 1.00 0.00 C ATOM 1130 C SER A 92 7.857 4.876 -9.300 1.00 0.00 C ATOM 1131 O SER A 92 7.047 5.313 -8.477 1.00 0.00 O ATOM 1132 CB SER A 92 7.727 2.370 -9.380 1.00 0.00 C ATOM 1133 OG SER A 92 7.474 1.236 -10.195 1.00 0.00 O ATOM 0 H SER A 92 9.264 3.362 -11.236 1.00 0.00 H new ATOM 0 HA SER A 92 6.454 3.746 -10.435 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.751 2.335 -9.009 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.072 2.351 -8.509 1.00 0.00 H new ATOM 0 HG SER A 92 7.490 1.501 -11.138 1.00 0.00 H new ATOM 1139 N CYS A 93 9.063 5.413 -9.484 1.00 0.00 N ATOM 1140 CA CYS A 93 9.503 6.571 -8.717 1.00 0.00 C ATOM 1141 C CYS A 93 8.675 7.805 -9.029 1.00 0.00 C ATOM 1142 O CYS A 93 8.441 8.143 -10.188 1.00 0.00 O ATOM 1143 CB CYS A 93 10.994 6.863 -8.933 1.00 0.00 C ATOM 1144 SG CYS A 93 12.110 5.778 -8.007 1.00 0.00 S ATOM 0 H CYS A 93 9.748 5.064 -10.155 1.00 0.00 H new ATOM 0 HA CYS A 93 9.353 6.320 -7.667 1.00 0.00 H new ATOM 0 HB2 CYS A 93 11.219 6.774 -9.996 1.00 0.00 H new ATOM 0 HB3 CYS A 93 11.194 7.897 -8.650 1.00 0.00 H new ATOM 1149 N LYS A 94 8.210 8.445 -7.982 1.00 0.00 N ATOM 1150 CA LYS A 94 7.432 9.686 -8.092 1.00 0.00 C ATOM 1151 C LYS A 94 8.227 10.821 -7.530 1.00 0.00 C ATOM 1152 O LYS A 94 7.710 11.920 -7.295 1.00 0.00 O ATOM 1153 CB LYS A 94 6.173 9.565 -7.289 1.00 0.00 C ATOM 1154 CG LYS A 94 5.357 8.379 -7.640 1.00 0.00 C ATOM 1155 CD LYS A 94 4.295 8.170 -6.624 1.00 0.00 C ATOM 1156 CE LYS A 94 3.400 7.007 -7.011 1.00 0.00 C ATOM 1157 NZ LYS A 94 2.774 7.202 -8.348 1.00 0.00 N ATOM 0 H LYS A 94 8.353 8.131 -7.022 1.00 0.00 H new ATOM 0 HA LYS A 94 7.197 9.863 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.430 9.518 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.573 10.464 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.908 8.515 -8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.993 7.496 -7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.749 7.978 -5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.698 9.076 -6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.984 6.087 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.619 6.885 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.958 6.565 -8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.457 8.188 -8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.470 6.990 -9.091 1.00 0.00 H new ATOM 1171 N CYS A 95 9.462 10.547 -7.318 1.00 0.00 N ATOM 1172 CA CYS A 95 10.360 11.451 -6.682 1.00 0.00 C ATOM 1173 C CYS A 95 10.854 12.508 -7.647 1.00 0.00 C ATOM 1174 O CYS A 95 10.655 12.404 -8.864 1.00 0.00 O ATOM 1175 CB CYS A 95 11.504 10.647 -6.127 1.00 0.00 C ATOM 1176 SG CYS A 95 10.962 9.096 -5.371 1.00 0.00 S ATOM 0 H CYS A 95 9.893 9.663 -7.589 1.00 0.00 H new ATOM 0 HA CYS A 95 9.848 11.980 -5.879 1.00 0.00 H new ATOM 0 HB2 CYS A 95 12.212 10.429 -6.927 1.00 0.00 H new ATOM 0 HB3 CYS A 95 12.035 11.243 -5.385 1.00 0.00 H new ATOM 1181 N ASP A 96 11.481 13.526 -7.107 1.00 0.00 N ATOM 1182 CA ASP A 96 11.994 14.605 -7.908 1.00 0.00 C ATOM 1183 C ASP A 96 13.413 14.313 -8.372 1.00 0.00 C ATOM 1184 O ASP A 96 13.935 13.224 -8.167 1.00 0.00 O ATOM 1185 CB ASP A 96 11.931 15.922 -7.139 1.00 0.00 C ATOM 1186 CG ASP A 96 12.752 15.911 -5.887 1.00 0.00 C ATOM 1187 OD1 ASP A 96 12.246 15.441 -4.846 1.00 0.00 O ATOM 1188 OD2 ASP A 96 13.893 16.380 -5.937 1.00 0.00 O ATOM 0 H ASP A 96 11.648 13.627 -6.106 1.00 0.00 H new ATOM 0 HA ASP A 96 11.367 14.698 -8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.275 16.730 -7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 96 10.893 16.138 -6.884 1.00 0.00 H new ATOM 1193 N ARG A 97 14.040 15.291 -8.983 1.00 0.00 N ATOM 1194 CA ARG A 97 15.364 15.099 -9.552 1.00 0.00 C ATOM 1195 C ARG A 97 16.457 15.503 -8.563 1.00 0.00 C ATOM 1196 O ARG A 97 17.631 15.583 -8.922 1.00 0.00 O ATOM 1197 CB ARG A 97 15.489 15.890 -10.867 1.00 0.00 C ATOM 1198 CG ARG A 97 14.213 15.850 -11.706 1.00 0.00 C ATOM 1199 CD ARG A 97 14.378 16.479 -13.095 1.00 0.00 C ATOM 1200 NE ARG A 97 15.448 15.863 -13.885 1.00 0.00 N ATOM 1201 CZ ARG A 97 15.587 16.015 -15.211 1.00 0.00 C ATOM 1202 NH1 ARG A 97 14.675 16.694 -15.912 1.00 0.00 N ATOM 1203 NH2 ARG A 97 16.631 15.480 -15.833 1.00 0.00 N ATOM 0 H ARG A 97 13.659 16.230 -9.102 1.00 0.00 H new ATOM 0 HA ARG A 97 15.497 14.039 -9.767 1.00 0.00 H new ATOM 0 HB2 ARG A 97 15.736 16.927 -10.640 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.315 15.486 -11.452 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.894 14.814 -11.820 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.419 16.371 -11.171 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.438 16.393 -13.640 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.585 17.543 -12.982 1.00 0.00 H new ATOM 0 HE ARG A 97 16.130 15.282 -13.396 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.867 17.100 -15.440 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.786 16.806 -16.920 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.326 14.954 -15.303 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.738 15.595 -16.841 1.00 0.00 H new ATOM 1217 N SER A 98 16.065 15.753 -7.328 1.00 0.00 N ATOM 1218 CA SER A 98 17.005 16.109 -6.271 1.00 0.00 C ATOM 1219 C SER A 98 16.654 15.395 -4.955 1.00 0.00 C ATOM 1220 O SER A 98 17.177 15.740 -3.891 1.00 0.00 O ATOM 1221 CB SER A 98 16.999 17.626 -6.060 1.00 0.00 C ATOM 1222 OG SER A 98 17.390 18.309 -7.246 1.00 0.00 O ATOM 0 H SER A 98 15.092 15.717 -7.026 1.00 0.00 H new ATOM 0 HA SER A 98 18.001 15.788 -6.576 1.00 0.00 H new ATOM 0 HB2 SER A 98 16.002 17.951 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 98 17.676 17.886 -5.247 1.00 0.00 H new ATOM 0 HG SER A 98 17.377 19.276 -7.086 1.00 0.00 H new ATOM 1228 N CYS A 99 15.787 14.381 -5.043 1.00 0.00 N ATOM 1229 CA CYS A 99 15.337 13.649 -3.894 1.00 0.00 C ATOM 1230 C CYS A 99 16.453 12.793 -3.285 1.00 0.00 C ATOM 1231 O CYS A 99 17.584 12.779 -3.776 1.00 0.00 O ATOM 1232 CB CYS A 99 14.161 12.790 -4.294 1.00 0.00 C ATOM 1233 SG CYS A 99 14.526 11.614 -5.600 1.00 0.00 S ATOM 0 H CYS A 99 15.387 14.058 -5.924 1.00 0.00 H new ATOM 0 HA CYS A 99 15.034 14.359 -3.125 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.807 12.246 -3.418 1.00 0.00 H new ATOM 0 HB3 CYS A 99 13.346 13.437 -4.619 1.00 0.00 H new ATOM 1238 N SER A 100 16.112 12.065 -2.233 1.00 0.00 N ATOM 1239 CA SER A 100 17.074 11.268 -1.490 1.00 0.00 C ATOM 1240 C SER A 100 17.756 10.178 -2.336 1.00 0.00 C ATOM 1241 O SER A 100 18.930 9.883 -2.121 1.00 0.00 O ATOM 1242 CB SER A 100 16.409 10.670 -0.264 1.00 0.00 C ATOM 1243 OG SER A 100 15.930 11.687 0.598 1.00 0.00 O ATOM 0 H SER A 100 15.160 12.010 -1.871 1.00 0.00 H new ATOM 0 HA SER A 100 17.873 11.942 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.583 10.028 -0.570 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.121 10.040 0.270 1.00 0.00 H new ATOM 0 HG SER A 100 15.504 11.279 1.380 1.00 0.00 H new ATOM 1249 N CYS A 101 17.040 9.571 -3.281 1.00 0.00 N ATOM 1250 CA CYS A 101 17.684 8.570 -4.127 1.00 0.00 C ATOM 1251 C CYS A 101 18.131 9.183 -5.450 1.00 0.00 C ATOM 1252 O CYS A 101 19.150 8.784 -6.023 1.00 0.00 O ATOM 1253 CB CYS A 101 16.823 7.288 -4.320 1.00 0.00 C ATOM 1254 SG CYS A 101 15.092 7.540 -4.784 1.00 0.00 S ATOM 0 H CYS A 101 16.054 9.745 -3.476 1.00 0.00 H new ATOM 0 HA CYS A 101 18.578 8.234 -3.602 1.00 0.00 H new ATOM 0 HB2 CYS A 101 17.295 6.672 -5.085 1.00 0.00 H new ATOM 0 HB3 CYS A 101 16.848 6.717 -3.392 1.00 0.00 H new ATOM 1259 N LYS A 102 17.398 10.178 -5.913 1.00 0.00 N ATOM 1260 CA LYS A 102 17.751 10.881 -7.110 1.00 0.00 C ATOM 1261 C LYS A 102 17.908 12.367 -6.831 1.00 0.00 C ATOM 1262 O LYS A 102 19.047 12.866 -7.008 1.00 0.00 O ATOM 1263 CB LYS A 102 16.720 10.649 -8.195 1.00 0.00 C ATOM 1264 CG LYS A 102 16.742 11.685 -9.297 1.00 0.00 C ATOM 1265 CD LYS A 102 17.705 11.374 -10.443 1.00 0.00 C ATOM 1266 CE LYS A 102 19.131 11.058 -10.013 1.00 0.00 C ATOM 1267 NZ LYS A 102 19.853 12.243 -9.476 1.00 0.00 N ATOM 0 H LYS A 102 16.546 10.513 -5.464 1.00 0.00 H new ATOM 0 HA LYS A 102 18.707 10.494 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.884 9.664 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.728 10.636 -7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.735 11.786 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.010 12.649 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.315 10.527 -11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.726 12.226 -11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 102 19.111 10.277 -9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 102 19.682 10.659 -10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 20.831 12.243 -9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 19.373 13.112 -9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.860 12.204 -8.437 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 14.543 6.284 -7.204 1.00 0.00 CD HETATM 1283 CD CD A 202 11.228 6.193 -5.641 1.00 0.00 CD HETATM 1284 CD CD A 203 13.420 9.501 -4.312 1.00 0.00 CD HETATM 1285 CD CD A 204 7.241 16.859 -16.479 1.00 0.00 CD HETATM 1286 CD CD A 205 8.828 19.897 -14.089 1.00 0.00 CD HETATM 1287 CD CD A 206 10.840 18.896 -17.631 1.00 0.00 CD HETATM 1288 CD CD A 207 9.189 25.922 4.496 1.00 0.00 CD HETATM 1289 CD CD A 208 5.855 26.220 2.316 1.00 0.00 CD HETATM 1290 CD CD A 209 8.895 23.379 1.177 1.00 0.00 CD